Program PWSCF v.5.1.1 starts on 14Nov2015 at 15:11:25 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CoNiAs.save/ file Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 34 10 965 644 106 Max 46 35 11 968 667 109 Sum 2161 1663 499 46413 31595 5145 bravais-lattice index = 14 lattice parameter (alat) = 11.4876 a.u. unit-cell volume = 748.9805 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.487644 celldm(2)= 1.000000 celldm(3)= 0.570489 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.570489 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.752884 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Co read from file: /home/autes/Pseudo/Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6e843fd57bb34a371311d5dc8eddf880 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1193 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Co 9.00 58.93320 Co( 1.00) Ni 10.00 58.69340 Ni( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 5 -6 -2 6 -5 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 -12 -11 11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0166667 0.0096225 -0.0000000), wk = 0.0031949 k( 3) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0031949 k( 5) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0031949 k( 7) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0031949 k( 8) = ( 0.1166667 0.0673575 -0.0000000), wk = 0.0031949 k( 9) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0031949 k( 10) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0031949 k( 11) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0031949 k( 12) = ( 0.1833333 0.1058475 -0.0000000), wk = 0.0031949 k( 13) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0031949 k( 14) = ( 0.2166667 0.1250926 -0.0000000), wk = 0.0031949 k( 15) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0031949 k( 16) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0031949 k( 17) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0031949 k( 18) = ( 0.2833333 0.1635826 -0.0000000), wk = 0.0031949 k( 19) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0031949 k( 20) = ( 0.3166667 0.1828276 -0.0000000), wk = 0.0031949 k( 21) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0031949 k( 22) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0031949 k( 23) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0031949 k( 24) = ( 0.3833333 0.2213176 -0.0000000), wk = 0.0031949 k( 25) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0031949 k( 26) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0031949 k( 27) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0031949 k( 28) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0031949 k( 29) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0031949 k( 30) = ( 0.4833333 0.2790526 -0.0000000), wk = 0.0031949 k( 31) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031949 k( 32) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031949 k( 33) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0031949 k( 34) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0031949 k( 35) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0031949 k( 36) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0031949 k( 37) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0031949 k( 38) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0031949 k( 39) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0031949 k( 40) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0031949 k( 41) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0031949 k( 42) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0031949 k( 43) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0031949 k( 44) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0031949 k( 45) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0031949 k( 46) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0031949 k( 47) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0031949 k( 48) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0031949 k( 49) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0031949 k( 50) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031949 k( 51) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031949 k( 52) = ( 0.3238095 0.5608545 -0.0000000), wk = 0.0031949 k( 53) = ( 0.3142857 0.5443588 -0.0000000), wk = 0.0031949 k( 54) = ( 0.3047619 0.5278631 -0.0000000), wk = 0.0031949 k( 55) = ( 0.2952381 0.5113674 -0.0000000), wk = 0.0031949 k( 56) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0031949 k( 57) = ( 0.2761905 0.4783759 -0.0000000), wk = 0.0031949 k( 58) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0031949 k( 59) = ( 0.2571429 0.4453845 -0.0000000), wk = 0.0031949 k( 60) = ( 0.2476191 0.4288888 -0.0000000), wk = 0.0031949 k( 61) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0031949 k( 62) = ( 0.2285714 0.3958973 -0.0000000), wk = 0.0031949 k( 63) = ( 0.2190476 0.3794016 -0.0000000), wk = 0.0031949 k( 64) = ( 0.2095238 0.3629059 -0.0000000), wk = 0.0031949 k( 65) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0031949 k( 66) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0031949 k( 67) = ( 0.1809524 0.3134187 -0.0000000), wk = 0.0031949 k( 68) = ( 0.1714286 0.2969230 -0.0000000), wk = 0.0031949 k( 69) = ( 0.1619048 0.2804273 -0.0000000), wk = 0.0031949 k( 70) = ( 0.1523809 0.2639315 -0.0000000), wk = 0.0031949 k( 71) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0031949 k( 72) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0031949 k( 73) = ( 0.1238095 0.2144444 -0.0000000), wk = 0.0031949 k( 74) = ( 0.1142857 0.1979487 -0.0000000), wk = 0.0031949 k( 75) = ( 0.1047619 0.1814529 -0.0000000), wk = 0.0031949 k( 76) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0031949 k( 77) = ( 0.0857143 0.1484615 -0.0000000), wk = 0.0031949 k( 78) = ( 0.0761905 0.1319658 -0.0000000), wk = 0.0031949 k( 79) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0031949 k( 80) = ( 0.0571429 0.0989743 -0.0000000), wk = 0.0031949 k( 81) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0031949 k( 82) = ( 0.0380952 0.0659829 -0.0000000), wk = 0.0031949 k( 83) = ( 0.0285714 0.0494872 -0.0000000), wk = 0.0031949 k( 84) = ( 0.0190476 0.0329914 -0.0000000), wk = 0.0031949 k( 85) = ( 0.0095238 0.0164957 -0.0000000), wk = 0.0031949 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 87) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 88) = ( 0.0000000 0.0000000 0.0190531), wk = 0.0031949 k( 89) = ( 0.0000000 0.0000000 0.0381062), wk = 0.0031949 k( 90) = ( 0.0000000 0.0000000 0.0571593), wk = 0.0031949 k( 91) = ( 0.0000000 0.0000000 0.0762123), wk = 0.0031949 k( 92) = ( 0.0000000 0.0000000 0.0952654), wk = 0.0031949 k( 93) = ( 0.0000000 0.0000000 0.1143185), wk = 0.0031949 k( 94) = ( 0.0000000 0.0000000 0.1333716), wk = 0.0031949 k( 95) = ( 0.0000000 0.0000000 0.1524246), wk = 0.0031949 k( 96) = ( 0.0000000 0.0000000 0.1714777), wk = 0.0031949 k( 97) = ( 0.0000000 0.0000000 0.1905308), wk = 0.0031949 k( 98) = ( 0.0000000 0.0000000 0.2095839), wk = 0.0031949 k( 99) = ( 0.0000000 0.0000000 0.2286370), wk = 0.0031949 k( 100) = ( 0.0000000 0.0000000 0.2476901), wk = 0.0031949 k( 101) = ( 0.0000000 0.0000000 0.2667431), wk = 0.0031949 k( 102) = ( 0.0000000 0.0000000 0.2857962), wk = 0.0031949 k( 103) = ( 0.0000000 0.0000000 0.3048493), wk = 0.0031949 k( 104) = ( 0.0000000 0.0000000 0.3239024), wk = 0.0031949 k( 105) = ( 0.0000000 0.0000000 0.3429555), wk = 0.0031949 k( 106) = ( 0.0000000 0.0000000 0.3620086), wk = 0.0031949 k( 107) = ( 0.0000000 0.0000000 0.3810616), wk = 0.0031949 k( 108) = ( 0.0000000 0.0000000 0.4001147), wk = 0.0031949 k( 109) = ( 0.0000000 0.0000000 0.4191678), wk = 0.0031949 k( 110) = ( 0.0000000 0.0000000 0.4382209), wk = 0.0031949 k( 111) = ( 0.0000000 0.0000000 0.4572740), wk = 0.0031949 k( 112) = ( 0.0000000 0.0000000 0.4763270), wk = 0.0031949 k( 113) = ( 0.0000000 0.0000000 0.4953801), wk = 0.0031949 k( 114) = ( 0.0000000 0.0000000 0.5144332), wk = 0.0031949 k( 115) = ( 0.0000000 0.0000000 0.5334863), wk = 0.0031949 k( 116) = ( 0.0000000 0.0000000 0.5525394), wk = 0.0031949 k( 117) = ( 0.0000000 0.0000000 0.5715925), wk = 0.0031949 k( 118) = ( 0.0000000 0.0000000 0.5906455), wk = 0.0031949 k( 119) = ( 0.0000000 0.0000000 0.6096986), wk = 0.0031949 k( 120) = ( 0.0000000 0.0000000 0.6287517), wk = 0.0031949 k( 121) = ( 0.0000000 0.0000000 0.6478048), wk = 0.0031949 k( 122) = ( 0.0000000 0.0000000 0.6668579), wk = 0.0031949 k( 123) = ( 0.0000000 0.0000000 0.6859109), wk = 0.0031949 k( 124) = ( 0.0000000 0.0000000 0.7049640), wk = 0.0031949 k( 125) = ( 0.0000000 0.0000000 0.7240171), wk = 0.0031949 k( 126) = ( 0.0000000 0.0000000 0.7430702), wk = 0.0031949 k( 127) = ( 0.0000000 0.0000000 0.7621233), wk = 0.0031949 k( 128) = ( 0.0000000 0.0000000 0.7811763), wk = 0.0031949 k( 129) = ( 0.0000000 0.0000000 0.8002294), wk = 0.0031949 k( 130) = ( 0.0000000 0.0000000 0.8192825), wk = 0.0031949 k( 131) = ( 0.0000000 0.0000000 0.8383356), wk = 0.0031949 k( 132) = ( 0.0000000 0.0000000 0.8573887), wk = 0.0031949 k( 133) = ( 0.0000000 0.0000000 0.8764418), wk = 0.0031949 k( 134) = ( 0.0000000 0.0000000 0.8764418), wk = 0.0031949 k( 135) = ( 0.0166667 0.0096225 0.8764418), wk = 0.0031949 k( 136) = ( 0.0333333 0.0192450 0.8764418), wk = 0.0031949 k( 137) = ( 0.0500000 0.0288675 0.8764418), wk = 0.0031949 k( 138) = ( 0.0666667 0.0384900 0.8764418), wk = 0.0031949 k( 139) = ( 0.0833333 0.0481125 0.8764418), wk = 0.0031949 k( 140) = ( 0.1000000 0.0577350 0.8764418), wk = 0.0031949 k( 141) = ( 0.1166667 0.0673575 0.8764418), wk = 0.0031949 k( 142) = ( 0.1333333 0.0769800 0.8764418), wk = 0.0031949 k( 143) = ( 0.1500000 0.0866025 0.8764418), wk = 0.0031949 k( 144) = ( 0.1666667 0.0962250 0.8764418), wk = 0.0031949 k( 145) = ( 0.1833333 0.1058475 0.8764418), wk = 0.0031949 k( 146) = ( 0.2000000 0.1154701 0.8764418), wk = 0.0031949 k( 147) = ( 0.2166667 0.1250926 0.8764418), wk = 0.0031949 k( 148) = ( 0.2333333 0.1347151 0.8764418), wk = 0.0031949 k( 149) = ( 0.2500000 0.1443376 0.8764418), wk = 0.0031949 k( 150) = ( 0.2666667 0.1539601 0.8764418), wk = 0.0031949 k( 151) = ( 0.2833333 0.1635826 0.8764418), wk = 0.0031949 k( 152) = ( 0.3000000 0.1732051 0.8764418), wk = 0.0031949 k( 153) = ( 0.3166667 0.1828276 0.8764418), wk = 0.0031949 k( 154) = ( 0.3333333 0.1924501 0.8764418), wk = 0.0031949 k( 155) = ( 0.3500000 0.2020726 0.8764418), wk = 0.0031949 k( 156) = ( 0.3666667 0.2116951 0.8764418), wk = 0.0031949 k( 157) = ( 0.3833333 0.2213176 0.8764418), wk = 0.0031949 k( 158) = ( 0.4000000 0.2309401 0.8764418), wk = 0.0031949 k( 159) = ( 0.4166667 0.2405626 0.8764418), wk = 0.0031949 k( 160) = ( 0.4333333 0.2501851 0.8764418), wk = 0.0031949 k( 161) = ( 0.4500000 0.2598076 0.8764418), wk = 0.0031949 k( 162) = ( 0.4666667 0.2694301 0.8764418), wk = 0.0031949 k( 163) = ( 0.4833333 0.2790526 0.8764418), wk = 0.0031949 k( 164) = ( 0.5000000 0.2886751 0.8764418), wk = 0.0031949 k( 165) = ( 0.5000000 0.2886751 0.8764418), wk = 0.0031949 k( 166) = ( 0.4907407 0.3047126 0.8764418), wk = 0.0031949 k( 167) = ( 0.4814815 0.3207502 0.8764418), wk = 0.0031949 k( 168) = ( 0.4722222 0.3367877 0.8764418), wk = 0.0031949 k( 169) = ( 0.4629630 0.3528252 0.8764418), wk = 0.0031949 k( 170) = ( 0.4537037 0.3688627 0.8764418), wk = 0.0031949 k( 171) = ( 0.4444444 0.3849002 0.8764418), wk = 0.0031949 k( 172) = ( 0.4351852 0.4009377 0.8764418), wk = 0.0031949 k( 173) = ( 0.4259259 0.4169752 0.8764418), wk = 0.0031949 k( 174) = ( 0.4166667 0.4330127 0.8764418), wk = 0.0031949 k( 175) = ( 0.4074074 0.4490502 0.8764418), wk = 0.0031949 k( 176) = ( 0.3981481 0.4650877 0.8764418), wk = 0.0031949 k( 177) = ( 0.3888889 0.4811252 0.8764418), wk = 0.0031949 k( 178) = ( 0.3796296 0.4971627 0.8764418), wk = 0.0031949 k( 179) = ( 0.3703704 0.5132002 0.8764418), wk = 0.0031949 k( 180) = ( 0.3611111 0.5292377 0.8764418), wk = 0.0031949 k( 181) = ( 0.3518519 0.5452753 0.8764418), wk = 0.0031949 k( 182) = ( 0.3425926 0.5613128 0.8764418), wk = 0.0031949 k( 183) = ( 0.3333333 0.5773503 0.8764418), wk = 0.0031949 k( 184) = ( 0.3333333 0.5773503 0.8764418), wk = 0.0031949 k( 185) = ( 0.3238095 0.5608545 0.8764418), wk = 0.0031949 k( 186) = ( 0.3142857 0.5443588 0.8764418), wk = 0.0031949 k( 187) = ( 0.3047619 0.5278631 0.8764418), wk = 0.0031949 k( 188) = ( 0.2952381 0.5113674 0.8764418), wk = 0.0031949 k( 189) = ( 0.2857143 0.4948717 0.8764418), wk = 0.0031949 k( 190) = ( 0.2761905 0.4783759 0.8764418), wk = 0.0031949 k( 191) = ( 0.2666667 0.4618802 0.8764418), wk = 0.0031949 k( 192) = ( 0.2571429 0.4453845 0.8764418), wk = 0.0031949 k( 193) = ( 0.2476191 0.4288888 0.8764418), wk = 0.0031949 k( 194) = ( 0.2380952 0.4123931 0.8764418), wk = 0.0031949 k( 195) = ( 0.2285714 0.3958973 0.8764418), wk = 0.0031949 k( 196) = ( 0.2190476 0.3794016 0.8764418), wk = 0.0031949 k( 197) = ( 0.2095238 0.3629059 0.8764418), wk = 0.0031949 k( 198) = ( 0.2000000 0.3464102 0.8764418), wk = 0.0031949 k( 199) = ( 0.1904762 0.3299144 0.8764418), wk = 0.0031949 k( 200) = ( 0.1809524 0.3134187 0.8764418), wk = 0.0031949 k( 201) = ( 0.1714286 0.2969230 0.8764418), wk = 0.0031949 k( 202) = ( 0.1619048 0.2804273 0.8764418), wk = 0.0031949 k( 203) = ( 0.1523809 0.2639315 0.8764418), wk = 0.0031949 k( 204) = ( 0.1428571 0.2474358 0.8764418), wk = 0.0031949 k( 205) = ( 0.1333333 0.2309401 0.8764418), wk = 0.0031949 k( 206) = ( 0.1238095 0.2144444 0.8764418), wk = 0.0031949 k( 207) = ( 0.1142857 0.1979487 0.8764418), wk = 0.0031949 k( 208) = ( 0.1047619 0.1814529 0.8764418), wk = 0.0031949 k( 209) = ( 0.0952381 0.1649572 0.8764418), wk = 0.0031949 k( 210) = ( 0.0857143 0.1484615 0.8764418), wk = 0.0031949 k( 211) = ( 0.0761905 0.1319658 0.8764418), wk = 0.0031949 k( 212) = ( 0.0666667 0.1154701 0.8764418), wk = 0.0031949 k( 213) = ( 0.0571429 0.0989743 0.8764418), wk = 0.0031949 k( 214) = ( 0.0476191 0.0824786 0.8764418), wk = 0.0031949 k( 215) = ( 0.0380952 0.0659829 0.8764418), wk = 0.0031949 k( 216) = ( 0.0285714 0.0494872 0.8764418), wk = 0.0031949 k( 217) = ( 0.0190476 0.0329914 0.8764418), wk = 0.0031949 k( 218) = ( 0.0095238 0.0164957 0.8764418), wk = 0.0031949 k( 219) = ( 0.0000000 0.0000000 0.8764418), wk = 0.0031949 k( 220) = ( 0.5000000 0.2886751 0.8764418), wk = 0.0031949 k( 221) = ( 0.5000000 0.2886751 0.8573887), wk = 0.0031949 k( 222) = ( 0.5000000 0.2886751 0.8383356), wk = 0.0031949 k( 223) = ( 0.5000000 0.2886751 0.8192825), wk = 0.0031949 k( 224) = ( 0.5000000 0.2886751 0.8002294), wk = 0.0031949 k( 225) = ( 0.5000000 0.2886751 0.7811763), wk = 0.0031949 k( 226) = ( 0.5000000 0.2886751 0.7621233), wk = 0.0031949 k( 227) = ( 0.5000000 0.2886751 0.7430702), wk = 0.0031949 k( 228) = ( 0.5000000 0.2886751 0.7240171), wk = 0.0031949 k( 229) = ( 0.5000000 0.2886751 0.7049640), wk = 0.0031949 k( 230) = ( 0.5000000 0.2886751 0.6859109), wk = 0.0031949 k( 231) = ( 0.5000000 0.2886751 0.6668579), wk = 0.0031949 k( 232) = ( 0.5000000 0.2886751 0.6478048), wk = 0.0031949 k( 233) = ( 0.5000000 0.2886751 0.6287517), wk = 0.0031949 k( 234) = ( 0.5000000 0.2886751 0.6096986), wk = 0.0031949 k( 235) = ( 0.5000000 0.2886751 0.5906455), wk = 0.0031949 k( 236) = ( 0.5000000 0.2886751 0.5715925), wk = 0.0031949 k( 237) = ( 0.5000000 0.2886751 0.5525394), wk = 0.0031949 k( 238) = ( 0.5000000 0.2886751 0.5334863), wk = 0.0031949 k( 239) = ( 0.5000000 0.2886751 0.5144332), wk = 0.0031949 k( 240) = ( 0.5000000 0.2886751 0.4953801), wk = 0.0031949 k( 241) = ( 0.5000000 0.2886751 0.4763270), wk = 0.0031949 k( 242) = ( 0.5000000 0.2886751 0.4572740), wk = 0.0031949 k( 243) = ( 0.5000000 0.2886751 0.4382209), wk = 0.0031949 k( 244) = ( 0.5000000 0.2886751 0.4191678), wk = 0.0031949 k( 245) = ( 0.5000000 0.2886751 0.4001147), wk = 0.0031949 k( 246) = ( 0.5000000 0.2886751 0.3810616), wk = 0.0031949 k( 247) = ( 0.5000000 0.2886751 0.3620086), wk = 0.0031949 k( 248) = ( 0.5000000 0.2886751 0.3429555), wk = 0.0031949 k( 249) = ( 0.5000000 0.2886751 0.3239024), wk = 0.0031949 k( 250) = ( 0.5000000 0.2886751 0.3048493), wk = 0.0031949 k( 251) = ( 0.5000000 0.2886751 0.2857962), wk = 0.0031949 k( 252) = ( 0.5000000 0.2886751 0.2667431), wk = 0.0031949 k( 253) = ( 0.5000000 0.2886751 0.2476901), wk = 0.0031949 k( 254) = ( 0.5000000 0.2886751 0.2286370), wk = 0.0031949 k( 255) = ( 0.5000000 0.2886751 0.2095839), wk = 0.0031949 k( 256) = ( 0.5000000 0.2886751 0.1905308), wk = 0.0031949 k( 257) = ( 0.5000000 0.2886751 0.1714777), wk = 0.0031949 k( 258) = ( 0.5000000 0.2886751 0.1524246), wk = 0.0031949 k( 259) = ( 0.5000000 0.2886751 0.1333716), wk = 0.0031949 k( 260) = ( 0.5000000 0.2886751 0.1143185), wk = 0.0031949 k( 261) = ( 0.5000000 0.2886751 0.0952654), wk = 0.0031949 k( 262) = ( 0.5000000 0.2886751 0.0762123), wk = 0.0031949 k( 263) = ( 0.5000000 0.2886751 0.0571593), wk = 0.0031949 k( 264) = ( 0.5000000 0.2886751 0.0381062), wk = 0.0031949 k( 265) = ( 0.5000000 0.2886751 0.0190531), wk = 0.0031949 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031949 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031949 k( 268) = ( 0.3333333 0.5773503 0.0190531), wk = 0.0031949 k( 269) = ( 0.3333333 0.5773503 0.0381062), wk = 0.0031949 k( 270) = ( 0.3333333 0.5773503 0.0571593), wk = 0.0031949 k( 271) = ( 0.3333333 0.5773503 0.0762123), wk = 0.0031949 k( 272) = ( 0.3333333 0.5773503 0.0952654), wk = 0.0031949 k( 273) = ( 0.3333333 0.5773503 0.1143185), wk = 0.0031949 k( 274) = ( 0.3333333 0.5773503 0.1333716), wk = 0.0031949 k( 275) = ( 0.3333333 0.5773503 0.1524246), wk = 0.0031949 k( 276) = ( 0.3333333 0.5773503 0.1714777), wk = 0.0031949 k( 277) = ( 0.3333333 0.5773503 0.1905308), wk = 0.0031949 k( 278) = ( 0.3333333 0.5773503 0.2095839), wk = 0.0031949 k( 279) = ( 0.3333333 0.5773503 0.2286370), wk = 0.0031949 k( 280) = ( 0.3333333 0.5773503 0.2476901), wk = 0.0031949 k( 281) = ( 0.3333333 0.5773503 0.2667431), wk = 0.0031949 k( 282) = ( 0.3333333 0.5773503 0.2857962), wk = 0.0031949 k( 283) = ( 0.3333333 0.5773503 0.3048493), wk = 0.0031949 k( 284) = ( 0.3333333 0.5773503 0.3239024), wk = 0.0031949 k( 285) = ( 0.3333333 0.5773503 0.3429555), wk = 0.0031949 k( 286) = ( 0.3333333 0.5773503 0.3620086), wk = 0.0031949 k( 287) = ( 0.3333333 0.5773503 0.3810616), wk = 0.0031949 k( 288) = ( 0.3333333 0.5773503 0.4001147), wk = 0.0031949 k( 289) = ( 0.3333333 0.5773503 0.4191678), wk = 0.0031949 k( 290) = ( 0.3333333 0.5773503 0.4382209), wk = 0.0031949 k( 291) = ( 0.3333333 0.5773503 0.4572740), wk = 0.0031949 k( 292) = ( 0.3333333 0.5773503 0.4763270), wk = 0.0031949 k( 293) = ( 0.3333333 0.5773503 0.4953801), wk = 0.0031949 k( 294) = ( 0.3333333 0.5773503 0.5144332), wk = 0.0031949 k( 295) = ( 0.3333333 0.5773503 0.5334863), wk = 0.0031949 k( 296) = ( 0.3333333 0.5773503 0.5525394), wk = 0.0031949 k( 297) = ( 0.3333333 0.5773503 0.5715925), wk = 0.0031949 k( 298) = ( 0.3333333 0.5773503 0.5906455), wk = 0.0031949 k( 299) = ( 0.3333333 0.5773503 0.6096986), wk = 0.0031949 k( 300) = ( 0.3333333 0.5773503 0.6287517), wk = 0.0031949 k( 301) = ( 0.3333333 0.5773503 0.6478048), wk = 0.0031949 k( 302) = ( 0.3333333 0.5773503 0.6668579), wk = 0.0031949 k( 303) = ( 0.3333333 0.5773503 0.6859109), wk = 0.0031949 k( 304) = ( 0.3333333 0.5773503 0.7049640), wk = 0.0031949 k( 305) = ( 0.3333333 0.5773503 0.7240171), wk = 0.0031949 k( 306) = ( 0.3333333 0.5773503 0.7430702), wk = 0.0031949 k( 307) = ( 0.3333333 0.5773503 0.7621233), wk = 0.0031949 k( 308) = ( 0.3333333 0.5773503 0.7811763), wk = 0.0031949 k( 309) = ( 0.3333333 0.5773503 0.8002294), wk = 0.0031949 k( 310) = ( 0.3333333 0.5773503 0.8192825), wk = 0.0031949 k( 311) = ( 0.3333333 0.5773503 0.8383356), wk = 0.0031949 k( 312) = ( 0.3333333 0.5773503 0.8573887), wk = 0.0031949 k( 313) = ( 0.3333333 0.5773503 0.8764418), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0166667 0.0000000 0.0000000), wk = 0.0031949 k( 3) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0031949 k( 4) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0031949 k( 5) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0031949 k( 6) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0031949 k( 7) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0031949 k( 8) = ( 0.1166667 0.0000000 0.0000000), wk = 0.0031949 k( 9) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0031949 k( 10) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0031949 k( 11) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0031949 k( 12) = ( 0.1833333 0.0000000 0.0000000), wk = 0.0031949 k( 13) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0031949 k( 14) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0031949 k( 15) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0031949 k( 16) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0031949 k( 17) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0031949 k( 18) = ( 0.2833333 0.0000000 0.0000000), wk = 0.0031949 k( 19) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0031949 k( 20) = ( 0.3166667 0.0000000 0.0000000), wk = 0.0031949 k( 21) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0031949 k( 22) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0031949 k( 23) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0031949 k( 24) = ( 0.3833333 0.0000000 0.0000000), wk = 0.0031949 k( 25) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0031949 k( 26) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0031949 k( 27) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0031949 k( 28) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0031949 k( 29) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0031949 k( 30) = ( 0.4833333 0.0000000 0.0000000), wk = 0.0031949 k( 31) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031949 k( 32) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031949 k( 33) = ( 0.4907407 0.0185185 0.0000000), wk = 0.0031949 k( 34) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0031949 k( 35) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0031949 k( 36) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0031949 k( 37) = ( 0.4537037 0.0925926 0.0000000), wk = 0.0031949 k( 38) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0031949 k( 39) = ( 0.4351852 0.1296296 0.0000000), wk = 0.0031949 k( 40) = ( 0.4259259 0.1481481 0.0000000), wk = 0.0031949 k( 41) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0031949 k( 42) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0031949 k( 43) = ( 0.3981481 0.2037037 0.0000000), wk = 0.0031949 k( 44) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0031949 k( 45) = ( 0.3796296 0.2407407 0.0000000), wk = 0.0031949 k( 46) = ( 0.3703704 0.2592593 0.0000000), wk = 0.0031949 k( 47) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0031949 k( 48) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0031949 k( 49) = ( 0.3425926 0.3148148 0.0000000), wk = 0.0031949 k( 50) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031949 k( 51) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031949 k( 52) = ( 0.3238095 0.3238095 0.0000000), wk = 0.0031949 k( 53) = ( 0.3142857 0.3142857 0.0000000), wk = 0.0031949 k( 54) = ( 0.3047619 0.3047619 0.0000000), wk = 0.0031949 k( 55) = ( 0.2952381 0.2952381 0.0000000), wk = 0.0031949 k( 56) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0031949 k( 57) = ( 0.2761905 0.2761905 0.0000000), wk = 0.0031949 k( 58) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0031949 k( 59) = ( 0.2571429 0.2571429 0.0000000), wk = 0.0031949 k( 60) = ( 0.2476191 0.2476190 0.0000000), wk = 0.0031949 k( 61) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0031949 k( 62) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0031949 k( 63) = ( 0.2190476 0.2190476 0.0000000), wk = 0.0031949 k( 64) = ( 0.2095238 0.2095238 0.0000000), wk = 0.0031949 k( 65) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0031949 k( 66) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0031949 k( 67) = ( 0.1809524 0.1809524 0.0000000), wk = 0.0031949 k( 68) = ( 0.1714286 0.1714286 0.0000000), wk = 0.0031949 k( 69) = ( 0.1619048 0.1619048 0.0000000), wk = 0.0031949 k( 70) = ( 0.1523809 0.1523809 0.0000000), wk = 0.0031949 k( 71) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0031949 k( 72) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0031949 k( 73) = ( 0.1238095 0.1238095 0.0000000), wk = 0.0031949 k( 74) = ( 0.1142857 0.1142857 0.0000000), wk = 0.0031949 k( 75) = ( 0.1047619 0.1047619 0.0000000), wk = 0.0031949 k( 76) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0031949 k( 77) = ( 0.0857143 0.0857143 0.0000000), wk = 0.0031949 k( 78) = ( 0.0761905 0.0761905 -0.0000000), wk = 0.0031949 k( 79) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0031949 k( 80) = ( 0.0571429 0.0571429 0.0000000), wk = 0.0031949 k( 81) = ( 0.0476191 0.0476190 0.0000000), wk = 0.0031949 k( 82) = ( 0.0380952 0.0380952 -0.0000000), wk = 0.0031949 k( 83) = ( 0.0285714 0.0285714 0.0000000), wk = 0.0031949 k( 84) = ( 0.0190476 0.0190476 -0.0000000), wk = 0.0031949 k( 85) = ( 0.0095238 0.0095238 -0.0000000), wk = 0.0031949 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 87) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 88) = ( 0.0000000 0.0000000 0.0108696), wk = 0.0031949 k( 89) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0031949 k( 90) = ( 0.0000000 0.0000000 0.0326087), wk = 0.0031949 k( 91) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0031949 k( 92) = ( 0.0000000 0.0000000 0.0543478), wk = 0.0031949 k( 93) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0031949 k( 94) = ( 0.0000000 0.0000000 0.0760870), wk = 0.0031949 k( 95) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0031949 k( 96) = ( 0.0000000 0.0000000 0.0978261), wk = 0.0031949 k( 97) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0031949 k( 98) = ( 0.0000000 0.0000000 0.1195652), wk = 0.0031949 k( 99) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0031949 k( 100) = ( 0.0000000 0.0000000 0.1413043), wk = 0.0031949 k( 101) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0031949 k( 102) = ( 0.0000000 0.0000000 0.1630435), wk = 0.0031949 k( 103) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0031949 k( 104) = ( 0.0000000 0.0000000 0.1847826), wk = 0.0031949 k( 105) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0031949 k( 106) = ( 0.0000000 0.0000000 0.2065217), wk = 0.0031949 k( 107) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0031949 k( 108) = ( 0.0000000 0.0000000 0.2282609), wk = 0.0031949 k( 109) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0031949 k( 110) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031949 k( 111) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0031949 k( 112) = ( 0.0000000 0.0000000 0.2717391), wk = 0.0031949 k( 113) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0031949 k( 114) = ( 0.0000000 0.0000000 0.2934783), wk = 0.0031949 k( 115) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0031949 k( 116) = ( 0.0000000 0.0000000 0.3152174), wk = 0.0031949 k( 117) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0031949 k( 118) = ( 0.0000000 0.0000000 0.3369565), wk = 0.0031949 k( 119) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0031949 k( 120) = ( 0.0000000 0.0000000 0.3586956), wk = 0.0031949 k( 121) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0031949 k( 122) = ( 0.0000000 0.0000000 0.3804348), wk = 0.0031949 k( 123) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0031949 k( 124) = ( 0.0000000 0.0000000 0.4021739), wk = 0.0031949 k( 125) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0031949 k( 126) = ( 0.0000000 0.0000000 0.4239130), wk = 0.0031949 k( 127) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0031949 k( 128) = ( 0.0000000 0.0000000 0.4456522), wk = 0.0031949 k( 129) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0031949 k( 130) = ( 0.0000000 0.0000000 0.4673913), wk = 0.0031949 k( 131) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0031949 k( 132) = ( 0.0000000 0.0000000 0.4891304), wk = 0.0031949 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 135) = ( 0.0166667 0.0000000 0.5000000), wk = 0.0031949 k( 136) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0031949 k( 137) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0031949 k( 138) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0031949 k( 139) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0031949 k( 140) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0031949 k( 141) = ( 0.1166667 0.0000000 0.5000000), wk = 0.0031949 k( 142) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0031949 k( 143) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0031949 k( 144) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0031949 k( 145) = ( 0.1833333 0.0000000 0.5000000), wk = 0.0031949 k( 146) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0031949 k( 147) = ( 0.2166667 0.0000000 0.5000000), wk = 0.0031949 k( 148) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0031949 k( 149) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0031949 k( 150) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0031949 k( 151) = ( 0.2833333 0.0000000 0.5000000), wk = 0.0031949 k( 152) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0031949 k( 153) = ( 0.3166667 0.0000000 0.5000000), wk = 0.0031949 k( 154) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0031949 k( 155) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0031949 k( 156) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0031949 k( 157) = ( 0.3833333 0.0000000 0.5000000), wk = 0.0031949 k( 158) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0031949 k( 159) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0031949 k( 160) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0031949 k( 161) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0031949 k( 162) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0031949 k( 163) = ( 0.4833333 0.0000000 0.5000000), wk = 0.0031949 k( 164) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031949 k( 165) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031949 k( 166) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0031949 k( 167) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0031949 k( 168) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0031949 k( 169) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0031949 k( 170) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0031949 k( 171) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0031949 k( 172) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0031949 k( 173) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0031949 k( 174) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0031949 k( 175) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0031949 k( 176) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0031949 k( 177) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0031949 k( 178) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0031949 k( 179) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0031949 k( 180) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0031949 k( 181) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0031949 k( 182) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0031949 k( 183) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031949 k( 184) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031949 k( 185) = ( 0.3238095 0.3238095 0.5000000), wk = 0.0031949 k( 186) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0031949 k( 187) = ( 0.3047619 0.3047619 0.5000000), wk = 0.0031949 k( 188) = ( 0.2952381 0.2952381 0.5000000), wk = 0.0031949 k( 189) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0031949 k( 190) = ( 0.2761905 0.2761905 0.5000000), wk = 0.0031949 k( 191) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0031949 k( 192) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0031949 k( 193) = ( 0.2476191 0.2476190 0.5000000), wk = 0.0031949 k( 194) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0031949 k( 195) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0031949 k( 196) = ( 0.2190476 0.2190476 0.5000000), wk = 0.0031949 k( 197) = ( 0.2095238 0.2095238 0.5000000), wk = 0.0031949 k( 198) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0031949 k( 199) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0031949 k( 200) = ( 0.1809524 0.1809524 0.5000000), wk = 0.0031949 k( 201) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0031949 k( 202) = ( 0.1619048 0.1619048 0.5000000), wk = 0.0031949 k( 203) = ( 0.1523809 0.1523809 0.5000000), wk = 0.0031949 k( 204) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0031949 k( 205) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0031949 k( 206) = ( 0.1238095 0.1238095 0.5000000), wk = 0.0031949 k( 207) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0031949 k( 208) = ( 0.1047619 0.1047619 0.5000000), wk = 0.0031949 k( 209) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0031949 k( 210) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0031949 k( 211) = ( 0.0761905 0.0761905 0.5000000), wk = 0.0031949 k( 212) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0031949 k( 213) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0031949 k( 214) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0031949 k( 215) = ( 0.0380952 0.0380952 0.5000000), wk = 0.0031949 k( 216) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0031949 k( 217) = ( 0.0190476 0.0190476 0.5000000), wk = 0.0031949 k( 218) = ( 0.0095238 0.0095238 0.5000000), wk = 0.0031949 k( 219) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 220) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031949 k( 221) = ( 0.5000000 0.0000000 0.4891304), wk = 0.0031949 k( 222) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0031949 k( 223) = ( 0.5000000 0.0000000 0.4673913), wk = 0.0031949 k( 224) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0031949 k( 225) = ( 0.5000000 0.0000000 0.4456522), wk = 0.0031949 k( 226) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0031949 k( 227) = ( 0.5000000 0.0000000 0.4239130), wk = 0.0031949 k( 228) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0031949 k( 229) = ( 0.5000000 0.0000000 0.4021739), wk = 0.0031949 k( 230) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0031949 k( 231) = ( 0.5000000 0.0000000 0.3804348), wk = 0.0031949 k( 232) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0031949 k( 233) = ( 0.5000000 0.0000000 0.3586956), wk = 0.0031949 k( 234) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0031949 k( 235) = ( 0.5000000 0.0000000 0.3369565), wk = 0.0031949 k( 236) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0031949 k( 237) = ( 0.5000000 0.0000000 0.3152174), wk = 0.0031949 k( 238) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0031949 k( 239) = ( 0.5000000 0.0000000 0.2934783), wk = 0.0031949 k( 240) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0031949 k( 241) = ( 0.5000000 0.0000000 0.2717391), wk = 0.0031949 k( 242) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0031949 k( 243) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0031949 k( 244) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0031949 k( 245) = ( 0.5000000 0.0000000 0.2282609), wk = 0.0031949 k( 246) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0031949 k( 247) = ( 0.5000000 0.0000000 0.2065217), wk = 0.0031949 k( 248) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0031949 k( 249) = ( 0.5000000 0.0000000 0.1847826), wk = 0.0031949 k( 250) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0031949 k( 251) = ( 0.5000000 0.0000000 0.1630435), wk = 0.0031949 k( 252) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0031949 k( 253) = ( 0.5000000 0.0000000 0.1413043), wk = 0.0031949 k( 254) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0031949 k( 255) = ( 0.5000000 0.0000000 0.1195652), wk = 0.0031949 k( 256) = ( 0.5000000 0.0000000 0.1086956), wk = 0.0031949 k( 257) = ( 0.5000000 0.0000000 0.0978261), wk = 0.0031949 k( 258) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0031949 k( 259) = ( 0.5000000 0.0000000 0.0760870), wk = 0.0031949 k( 260) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0031949 k( 261) = ( 0.5000000 0.0000000 0.0543478), wk = 0.0031949 k( 262) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0031949 k( 263) = ( 0.5000000 0.0000000 0.0326087), wk = 0.0031949 k( 264) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0031949 k( 265) = ( 0.5000000 0.0000000 0.0108696), wk = 0.0031949 k( 266) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031949 k( 267) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031949 k( 268) = ( 0.3333333 0.3333333 0.0108696), wk = 0.0031949 k( 269) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0031949 k( 270) = ( 0.3333333 0.3333333 0.0326087), wk = 0.0031949 k( 271) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0031949 k( 272) = ( 0.3333333 0.3333333 0.0543478), wk = 0.0031949 k( 273) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0031949 k( 274) = ( 0.3333333 0.3333333 0.0760870), wk = 0.0031949 k( 275) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0031949 k( 276) = ( 0.3333333 0.3333333 0.0978261), wk = 0.0031949 k( 277) = ( 0.3333333 0.3333333 0.1086956), wk = 0.0031949 k( 278) = ( 0.3333333 0.3333333 0.1195652), wk = 0.0031949 k( 279) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0031949 k( 280) = ( 0.3333333 0.3333333 0.1413043), wk = 0.0031949 k( 281) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0031949 k( 282) = ( 0.3333333 0.3333333 0.1630435), wk = 0.0031949 k( 283) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0031949 k( 284) = ( 0.3333333 0.3333333 0.1847826), wk = 0.0031949 k( 285) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0031949 k( 286) = ( 0.3333333 0.3333333 0.2065217), wk = 0.0031949 k( 287) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0031949 k( 288) = ( 0.3333333 0.3333333 0.2282609), wk = 0.0031949 k( 289) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0031949 k( 290) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0031949 k( 291) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0031949 k( 292) = ( 0.3333333 0.3333333 0.2717391), wk = 0.0031949 k( 293) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0031949 k( 294) = ( 0.3333333 0.3333333 0.2934783), wk = 0.0031949 k( 295) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0031949 k( 296) = ( 0.3333333 0.3333333 0.3152174), wk = 0.0031949 k( 297) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0031949 k( 298) = ( 0.3333333 0.3333333 0.3369565), wk = 0.0031949 k( 299) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0031949 k( 300) = ( 0.3333333 0.3333333 0.3586956), wk = 0.0031949 k( 301) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0031949 k( 302) = ( 0.3333333 0.3333333 0.3804348), wk = 0.0031949 k( 303) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0031949 k( 304) = ( 0.3333333 0.3333333 0.4021739), wk = 0.0031949 k( 305) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0031949 k( 306) = ( 0.3333333 0.3333333 0.4239130), wk = 0.0031949 k( 307) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0031949 k( 308) = ( 0.3333333 0.3333333 0.4456522), wk = 0.0031949 k( 309) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0031949 k( 310) = ( 0.3333333 0.3333333 0.4673913), wk = 0.0031949 k( 311) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0031949 k( 312) = ( 0.3333333 0.3333333 0.4891304), wk = 0.0031949 k( 313) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031949 Dense grid: 46413 G-vectors FFT dimensions: ( 60, 60, 36) Smooth grid: 31595 G-vectors FFT dimensions: ( 50, 50, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 182, 86) NL pseudopotentials 0.34 Mb ( 91, 246) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 966) G-vector shells 0.00 Mb ( 424) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 182, 344) Each subspace H/S matrix 1.81 Mb ( 344, 344) Each matrix 0.65 Mb ( 246, 2, 86) The potential is recalculated from file : ./CoNiAs.save/charge-density.dat Starting wfc are 132 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.4 secs Computing kpt #: 2 total cpu time spent up to now is 50.5 secs Computing kpt #: 3 total cpu time spent up to now is 54.6 secs Computing kpt #: 4 total cpu time spent up to now is 58.8 secs Computing kpt #: 5 total cpu time spent up to now is 63.1 secs Computing kpt #: 6 total cpu time spent up to now is 67.4 secs Computing kpt #: 7 total cpu time spent up to now is 71.8 secs Computing kpt #: 8 total cpu time spent up to now is 76.4 secs Computing kpt #: 9 total cpu time spent up to now is 81.1 secs Computing kpt #: 10 total cpu time spent up to now is 85.7 secs Computing kpt #: 11 total cpu time spent up to now is 90.4 secs Computing kpt #: 12 total cpu time spent up to now is 95.2 secs Computing kpt #: 13 total cpu time spent up to now is 100.1 secs Computing kpt #: 14 total cpu time spent up to now is 105.2 secs Computing kpt #: 15 total cpu time spent up to now is 110.4 secs Computing kpt #: 16 total cpu time spent up to now is 116.0 secs Computing kpt #: 17 total cpu time spent up to now is 121.9 secs Computing kpt #: 18 total cpu time spent up to now is 129.2 secs Computing kpt #: 19 total cpu time spent up to now is 137.6 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.4 secs Computing kpt #: 21 total cpu time spent up to now is 156.8 secs Computing kpt #: 22 total cpu time spent up to now is 164.5 secs Computing kpt #: 23 total cpu time spent up to now is 171.6 secs Computing kpt #: 24 total cpu time spent up to now is 177.2 secs Computing kpt #: 25 total cpu time spent up to now is 182.4 secs Computing kpt #: 26 total cpu time spent up to now is 187.4 secs Computing kpt #: 27 total cpu time spent up to now is 192.3 secs Computing kpt #: 28 total cpu time spent up to now is 197.0 secs Computing kpt #: 29 total cpu time spent up to now is 201.6 secs Computing kpt #: 30 total cpu time spent up to now is 206.1 secs Computing kpt #: 31 total cpu time spent up to now is 210.5 secs Computing kpt #: 32 total cpu time spent up to now is 214.9 secs Computing kpt #: 33 total cpu time spent up to now is 219.4 secs Computing kpt #: 34 total cpu time spent up to now is 224.1 secs Computing kpt #: 35 total cpu time spent up to now is 228.7 secs Computing kpt #: 36 total cpu time spent up to now is 233.4 secs Computing kpt #: 37 total cpu time spent up to now is 238.1 secs Computing kpt #: 38 total cpu time spent up to now is 242.9 secs Computing kpt #: 39 total cpu time spent up to now is 247.7 secs Computing kpt #: 40 total cpu time spent up to now is 252.6 secs Computing kpt #: 41 total cpu time spent up to now is 257.5 secs Computing kpt #: 42 total cpu time spent up to now is 262.4 secs Computing kpt #: 43 total cpu time spent up to now is 267.3 secs Computing kpt #: 44 total cpu time spent up to now is 272.4 secs Computing kpt #: 45 total cpu time spent up to now is 277.9 secs Computing kpt #: 46 total cpu time spent up to now is 283.7 secs Computing kpt #: 47 total cpu time spent up to now is 289.7 secs Computing kpt #: 48 total cpu time spent up to now is 297.9 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.1 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 318.5 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 329.0 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 339.4 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 349.7 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.0 secs Computing kpt #: 55 total cpu time spent up to now is 369.5 secs Computing kpt #: 56 total cpu time spent up to now is 376.6 secs Computing kpt #: 57 total cpu time spent up to now is 383.7 secs Computing kpt #: 58 total cpu time spent up to now is 389.8 secs Computing kpt #: 59 total cpu time spent up to now is 395.6 secs Computing kpt #: 60 total cpu time spent up to now is 401.3 secs Computing kpt #: 61 total cpu time spent up to now is 407.0 secs Computing kpt #: 62 total cpu time spent up to now is 412.6 secs Computing kpt #: 63 total cpu time spent up to now is 418.1 secs Computing kpt #: 64 total cpu time spent up to now is 423.6 secs Computing kpt #: 65 total cpu time spent up to now is 429.5 secs Computing kpt #: 66 total cpu time spent up to now is 435.1 secs Computing kpt #: 67 total cpu time spent up to now is 440.3 secs Computing kpt #: 68 total cpu time spent up to now is 445.6 secs Computing kpt #: 69 total cpu time spent up to now is 450.9 secs Computing kpt #: 70 total cpu time spent up to now is 455.9 secs Computing kpt #: 71 total cpu time spent up to now is 460.9 secs Computing kpt #: 72 total cpu time spent up to now is 466.6 secs Computing kpt #: 73 total cpu time spent up to now is 471.4 secs Computing kpt #: 74 total cpu time spent up to now is 476.9 secs Computing kpt #: 75 total cpu time spent up to now is 481.6 secs Computing kpt #: 76 total cpu time spent up to now is 486.3 secs Computing kpt #: 77 total cpu time spent up to now is 490.7 secs Computing kpt #: 78 total cpu time spent up to now is 495.1 secs Computing kpt #: 79 total cpu time spent up to now is 499.6 secs Computing kpt #: 80 total cpu time spent up to now is 503.8 secs Computing kpt #: 81 total cpu time spent up to now is 508.1 secs Computing kpt #: 82 total cpu time spent up to now is 512.4 secs Computing kpt #: 83 total cpu time spent up to now is 516.5 secs Computing kpt #: 84 total cpu time spent up to now is 520.6 secs Computing kpt #: 85 total cpu time spent up to now is 524.7 secs Computing kpt #: 86 total cpu time spent up to now is 528.9 secs Computing kpt #: 87 total cpu time spent up to now is 533.0 secs Computing kpt #: 88 total cpu time spent up to now is 537.4 secs Computing kpt #: 89 total cpu time spent up to now is 541.5 secs Computing kpt #: 90 total cpu time spent up to now is 545.6 secs Computing kpt #: 91 total cpu time spent up to now is 549.7 secs Computing kpt #: 92 total cpu time spent up to now is 553.7 secs Computing kpt #: 93 total cpu time spent up to now is 557.7 secs Computing kpt #: 94 total cpu time spent up to now is 561.7 secs Computing kpt #: 95 total cpu time spent up to now is 565.7 secs Computing kpt #: 96 total cpu time spent up to now is 569.6 secs Computing kpt #: 97 total cpu time spent up to now is 573.6 secs Computing kpt #: 98 total cpu time spent up to now is 577.7 secs Computing kpt #: 99 total cpu time spent up to now is 581.7 secs Computing kpt #: 100 total cpu time spent up to now is 585.7 secs Computing kpt #: 101 total cpu time spent up to now is 589.8 secs Computing kpt #: 102 total cpu time spent up to now is 594.2 secs Computing kpt #: 103 total cpu time spent up to now is 598.5 secs Computing kpt #: 104 total cpu time spent up to now is 603.2 secs Computing kpt #: 105 total cpu time spent up to now is 608.1 secs Computing kpt #: 106 total cpu time spent up to now is 613.6 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 624.0 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 634.5 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 644.7 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 655.0 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 665.2 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 675.5 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 685.7 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 696.0 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 706.4 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 716.9 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 727.3 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 737.9 secs Computing kpt #: 119 total cpu time spent up to now is 746.6 secs Computing kpt #: 120 total cpu time spent up to now is 754.9 secs Computing kpt #: 121 total cpu time spent up to now is 763.1 secs Computing kpt #: 122 total cpu time spent up to now is 772.6 secs Computing kpt #: 123 total cpu time spent up to now is 779.9 secs Computing kpt #: 124 total cpu time spent up to now is 787.2 secs Computing kpt #: 125 total cpu time spent up to now is 794.4 secs Computing kpt #: 126 total cpu time spent up to now is 801.7 secs Computing kpt #: 127 total cpu time spent up to now is 808.7 secs Computing kpt #: 128 total cpu time spent up to now is 814.9 secs Computing kpt #: 129 total cpu time spent up to now is 821.3 secs Computing kpt #: 130 total cpu time spent up to now is 827.7 secs Computing kpt #: 131 total cpu time spent up to now is 833.7 secs Computing kpt #: 132 total cpu time spent up to now is 839.7 secs Computing kpt #: 133 total cpu time spent up to now is 845.7 secs Computing kpt #: 134 total cpu time spent up to now is 851.4 secs Computing kpt #: 135 total cpu time spent up to now is 857.3 secs Computing kpt #: 136 total cpu time spent up to now is 863.3 secs Computing kpt #: 137 total cpu time spent up to now is 869.3 secs Computing kpt #: 138 total cpu time spent up to now is 874.1 secs Computing kpt #: 139 total cpu time spent up to now is 878.9 secs Computing kpt #: 140 total cpu time spent up to now is 883.6 secs Computing kpt #: 141 total cpu time spent up to now is 888.3 secs Computing kpt #: 142 total cpu time spent up to now is 893.2 secs Computing kpt #: 143 total cpu time spent up to now is 897.8 secs Computing kpt #: 144 total cpu time spent up to now is 902.6 secs Computing kpt #: 145 total cpu time spent up to now is 907.3 secs Computing kpt #: 146 total cpu time spent up to now is 912.1 secs Computing kpt #: 147 total cpu time spent up to now is 916.8 secs Computing kpt #: 148 total cpu time spent up to now is 921.4 secs Computing kpt #: 149 total cpu time spent up to now is 926.1 secs Computing kpt #: 150 total cpu time spent up to now is 931.0 secs Computing kpt #: 151 total cpu time spent up to now is 935.7 secs Computing kpt #: 152 total cpu time spent up to now is 940.4 secs Computing kpt #: 153 total cpu time spent up to now is 945.3 secs Computing kpt #: 154 total cpu time spent up to now is 950.3 secs Computing kpt #: 155 total cpu time spent up to now is 955.4 secs Computing kpt #: 156 total cpu time spent up to now is 960.5 secs Computing kpt #: 157 total cpu time spent up to now is 966.4 secs Computing kpt #: 158 total cpu time spent up to now is 972.3 secs Computing kpt #: 159 total cpu time spent up to now is 977.1 secs Computing kpt #: 160 total cpu time spent up to now is 981.9 secs Computing kpt #: 161 total cpu time spent up to now is 986.9 secs Computing kpt #: 162 total cpu time spent up to now is 991.7 secs Computing kpt #: 163 total cpu time spent up to now is 996.2 secs Computing kpt #: 164 total cpu time spent up to now is 1000.8 secs Computing kpt #: 165 total cpu time spent up to now is 1005.4 secs Computing kpt #: 166 total cpu time spent up to now is 1010.1 secs Computing kpt #: 167 total cpu time spent up to now is 1015.1 secs Computing kpt #: 168 total cpu time spent up to now is 1020.1 secs Computing kpt #: 169 total cpu time spent up to now is 1024.6 secs Computing kpt #: 170 total cpu time spent up to now is 1029.2 secs Computing kpt #: 171 total cpu time spent up to now is 1033.6 secs Computing kpt #: 172 total cpu time spent up to now is 1038.1 secs Computing kpt #: 173 total cpu time spent up to now is 1042.5 secs Computing kpt #: 174 total cpu time spent up to now is 1047.6 secs Computing kpt #: 175 total cpu time spent up to now is 1052.0 secs Computing kpt #: 176 total cpu time spent up to now is 1056.3 secs Computing kpt #: 177 total cpu time spent up to now is 1060.5 secs Computing kpt #: 178 total cpu time spent up to now is 1065.6 secs Computing kpt #: 179 total cpu time spent up to now is 1071.1 secs Computing kpt #: 180 total cpu time spent up to now is 1075.4 secs Computing kpt #: 181 total cpu time spent up to now is 1079.4 secs Computing kpt #: 182 total cpu time spent up to now is 1083.6 secs Computing kpt #: 183 total cpu time spent up to now is 1087.5 secs Computing kpt #: 184 total cpu time spent up to now is 1091.4 secs Computing kpt #: 185 total cpu time spent up to now is 1095.2 secs Computing kpt #: 186 total cpu time spent up to now is 1099.2 secs Computing kpt #: 187 total cpu time spent up to now is 1103.6 secs Computing kpt #: 188 total cpu time spent up to now is 1107.9 secs Computing kpt #: 189 total cpu time spent up to now is 1112.3 secs Computing kpt #: 190 total cpu time spent up to now is 1116.5 secs Computing kpt #: 191 total cpu time spent up to now is 1120.9 secs Computing kpt #: 192 total cpu time spent up to now is 1125.2 secs Computing kpt #: 193 total cpu time spent up to now is 1129.7 secs Computing kpt #: 194 total cpu time spent up to now is 1134.1 secs Computing kpt #: 195 total cpu time spent up to now is 1138.7 secs Computing kpt #: 196 total cpu time spent up to now is 1143.2 secs Computing kpt #: 197 total cpu time spent up to now is 1147.8 secs Computing kpt #: 198 total cpu time spent up to now is 1152.5 secs Computing kpt #: 199 total cpu time spent up to now is 1157.1 secs Computing kpt #: 200 total cpu time spent up to now is 1161.7 secs Computing kpt #: 201 total cpu time spent up to now is 1166.1 secs Computing kpt #: 202 total cpu time spent up to now is 1170.7 secs Computing kpt #: 203 total cpu time spent up to now is 1175.2 secs Computing kpt #: 204 total cpu time spent up to now is 1179.7 secs Computing kpt #: 205 total cpu time spent up to now is 1184.1 secs Computing kpt #: 206 total cpu time spent up to now is 1188.6 secs Computing kpt #: 207 total cpu time spent up to now is 1193.0 secs Computing kpt #: 208 total cpu time spent up to now is 1197.5 secs Computing kpt #: 209 total cpu time spent up to now is 1202.0 secs Computing kpt #: 210 total cpu time spent up to now is 1206.5 secs Computing kpt #: 211 total cpu time spent up to now is 1211.1 secs Computing kpt #: 212 total cpu time spent up to now is 1215.6 secs Computing kpt #: 213 total cpu time spent up to now is 1220.2 secs Computing kpt #: 214 total cpu time spent up to now is 1225.0 secs Computing kpt #: 215 total cpu time spent up to now is 1229.9 secs Computing kpt #: 216 total cpu time spent up to now is 1235.6 secs Computing kpt #: 217 total cpu time spent up to now is 1241.5 secs Computing kpt #: 218 total cpu time spent up to now is 1248.3 secs Computing kpt #: 219 total cpu time spent up to now is 1254.2 secs Computing kpt #: 220 total cpu time spent up to now is 1258.7 secs Computing kpt #: 221 total cpu time spent up to now is 1263.5 secs Computing kpt #: 222 total cpu time spent up to now is 1268.0 secs Computing kpt #: 223 total cpu time spent up to now is 1272.7 secs Computing kpt #: 224 total cpu time spent up to now is 1277.3 secs Computing kpt #: 225 total cpu time spent up to now is 1282.0 secs Computing kpt #: 226 total cpu time spent up to now is 1287.1 secs Computing kpt #: 227 total cpu time spent up to now is 1292.9 secs Computing kpt #: 228 total cpu time spent up to now is 1298.9 secs Computing kpt #: 229 total cpu time spent up to now is 1304.7 secs Computing kpt #: 230 total cpu time spent up to now is 1309.8 secs Computing kpt #: 231 total cpu time spent up to now is 1314.7 secs Computing kpt #: 232 total cpu time spent up to now is 1319.5 secs Computing kpt #: 233 total cpu time spent up to now is 1324.4 secs Computing kpt #: 234 total cpu time spent up to now is 1329.2 secs Computing kpt #: 235 total cpu time spent up to now is 1333.8 secs Computing kpt #: 236 total cpu time spent up to now is 1338.3 secs Computing kpt #: 237 total cpu time spent up to now is 1342.8 secs Computing kpt #: 238 total cpu time spent up to now is 1347.3 secs Computing kpt #: 239 total cpu time spent up to now is 1352.0 secs Computing kpt #: 240 total cpu time spent up to now is 1356.7 secs Computing kpt #: 241 total cpu time spent up to now is 1361.4 secs Computing kpt #: 242 total cpu time spent up to now is 1367.6 secs Computing kpt #: 243 total cpu time spent up to now is 1373.4 secs Computing kpt #: 244 total cpu time spent up to now is 1378.7 secs Computing kpt #: 245 total cpu time spent up to now is 1384.4 secs Computing kpt #: 246 total cpu time spent up to now is 1390.2 secs Computing kpt #: 247 total cpu time spent up to now is 1396.1 secs Computing kpt #: 248 total cpu time spent up to now is 1402.2 secs Computing kpt #: 249 total cpu time spent up to now is 1408.9 secs Computing kpt #: 250 total cpu time spent up to now is 1414.5 secs Computing kpt #: 251 total cpu time spent up to now is 1420.2 secs Computing kpt #: 252 total cpu time spent up to now is 1425.7 secs Computing kpt #: 253 total cpu time spent up to now is 1430.9 secs Computing kpt #: 254 total cpu time spent up to now is 1435.9 secs Computing kpt #: 255 total cpu time spent up to now is 1440.7 secs Computing kpt #: 256 total cpu time spent up to now is 1445.2 secs Computing kpt #: 257 total cpu time spent up to now is 1449.7 secs Computing kpt #: 258 total cpu time spent up to now is 1454.1 secs Computing kpt #: 259 total cpu time spent up to now is 1458.5 secs Computing kpt #: 260 total cpu time spent up to now is 1463.2 secs Computing kpt #: 261 total cpu time spent up to now is 1467.9 secs Computing kpt #: 262 total cpu time spent up to now is 1472.5 secs Computing kpt #: 263 total cpu time spent up to now is 1477.2 secs Computing kpt #: 264 total cpu time spent up to now is 1482.1 secs Computing kpt #: 265 total cpu time spent up to now is 1486.7 secs Computing kpt #: 266 total cpu time spent up to now is 1491.4 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1501.6 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1512.1 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1522.8 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1533.4 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1544.1 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1554.7 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1565.4 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1576.1 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1586.6 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1597.3 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1607.8 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1618.5 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1629.2 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1639.8 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1650.3 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1660.9 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1672.9 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1683.5 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1694.1 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1704.5 secs Computing kpt #: 287 total cpu time spent up to now is 1713.0 secs Computing kpt #: 288 total cpu time spent up to now is 1720.1 secs Computing kpt #: 289 total cpu time spent up to now is 1725.8 secs Computing kpt #: 290 total cpu time spent up to now is 1731.0 secs Computing kpt #: 291 total cpu time spent up to now is 1736.0 secs Computing kpt #: 292 total cpu time spent up to now is 1740.7 secs Computing kpt #: 293 total cpu time spent up to now is 1745.1 secs Computing kpt #: 294 total cpu time spent up to now is 1749.7 secs Computing kpt #: 295 total cpu time spent up to now is 1754.0 secs Computing kpt #: 296 total cpu time spent up to now is 1758.4 secs Computing kpt #: 297 total cpu time spent up to now is 1762.8 secs Computing kpt #: 298 total cpu time spent up to now is 1767.1 secs Computing kpt #: 299 total cpu time spent up to now is 1771.5 secs Computing kpt #: 300 total cpu time spent up to now is 1776.6 secs Computing kpt #: 301 total cpu time spent up to now is 1780.9 secs Computing kpt #: 302 total cpu time spent up to now is 1785.2 secs Computing kpt #: 303 total cpu time spent up to now is 1789.2 secs Computing kpt #: 304 total cpu time spent up to now is 1793.2 secs Computing kpt #: 305 total cpu time spent up to now is 1797.3 secs Computing kpt #: 306 total cpu time spent up to now is 1801.2 secs Computing kpt #: 307 total cpu time spent up to now is 1805.2 secs Computing kpt #: 308 total cpu time spent up to now is 1809.1 secs Computing kpt #: 309 total cpu time spent up to now is 1813.1 secs Computing kpt #: 310 total cpu time spent up to now is 1817.0 secs Computing kpt #: 311 total cpu time spent up to now is 1820.9 secs Computing kpt #: 312 total cpu time spent up to now is 1824.7 secs Computing kpt #: 313 total cpu time spent up to now is 1828.6 secs ethr = 1.39E-11, avg # of iterations = 43.7 total cpu time spent up to now is 1828.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3963 PWs) bands (ev): -1.1549 -1.1549 0.7250 0.7250 1.3452 1.3452 6.5550 6.5550 6.6230 6.6230 6.6771 6.6771 6.7509 6.7509 8.3138 8.3138 9.1914 9.1914 9.2400 9.2400 9.4241 9.4241 9.4602 9.4602 10.2243 10.2243 10.2738 10.2738 10.5284 10.5284 10.6125 10.6125 10.6457 10.6457 10.8668 10.8668 10.8742 10.8742 10.8993 10.8993 10.9466 10.9466 11.1360 11.1360 11.7602 11.7602 11.8006 11.8006 11.8490 11.8490 12.0080 12.0080 12.0424 12.0424 12.0589 12.0589 12.1184 12.1184 12.3866 12.3866 12.3901 12.3901 12.5554 12.5554 12.6212 12.6212 12.6819 12.6819 12.6923 12.6923 12.8104 12.8104 13.0268 13.0268 13.1201 13.1201 15.8986 15.8986 16.0311 16.0311 16.0748 16.0748 16.1393 16.1393 17.0228 17.0228 k = 0.0167 0.0096-0.0000 ( 3963 PWs) bands (ev): -1.1537 -1.1537 0.7240 0.7241 1.3438 1.3438 6.5354 6.5357 6.5788 6.5792 6.7235 6.7237 6.7727 6.7728 8.3141 8.3141 9.1902 9.1902 9.2389 9.2390 9.4249 9.4249 9.4605 9.4605 10.2235 10.2236 10.2730 10.2730 10.5295 10.5295 10.6116 10.6117 10.6454 10.6455 10.8612 10.8646 10.8718 10.8751 10.9014 10.9014 10.9471 10.9472 11.1398 11.1399 11.7581 11.7582 11.8011 11.8013 11.8492 11.8493 12.0058 12.0060 12.0400 12.0402 12.0590 12.0591 12.1223 12.1224 12.3856 12.3860 12.3900 12.3905 12.5564 12.5564 12.6208 12.6209 12.6789 12.6795 12.6930 12.6935 12.8167 12.8168 13.0267 13.0267 13.1200 13.1200 15.8778 15.8781 15.9899 15.9904 16.1129 16.1130 16.1598 16.1599 17.0202 17.0202 k = 0.0333 0.0192-0.0000 ( 3967 PWs) bands (ev): -1.1503 -1.1503 0.7213 0.7213 1.3394 1.3394 6.4909 6.4930 6.5178 6.5201 6.7912 6.7914 6.8235 6.8235 8.3148 8.3148 9.1856 9.1861 9.2360 9.2366 9.4274 9.4275 9.4613 9.4613 10.2211 10.2213 10.2705 10.2707 10.5327 10.5327 10.6089 10.6091 10.6444 10.6449 10.8448 10.8566 10.8683 10.8792 10.9062 10.9063 10.9484 10.9492 11.1501 11.1507 11.7521 11.7524 11.8024 11.8033 11.8498 11.8504 11.9986 11.9996 12.0349 12.0362 12.0595 12.0596 12.1321 12.1325 12.3815 12.3831 12.3909 12.3926 12.5591 12.5592 12.6193 12.6201 12.6720 12.6747 12.6948 12.6970 12.8342 12.8344 13.0265 13.0265 13.1198 13.1198 15.8175 15.8186 15.9582 15.9601 16.1199 16.1201 16.2346 16.2352 17.0125 17.0125 k = 0.0500 0.0289-0.0000 ( 3967 PWs) bands (ev): -1.1445 -1.1445 0.7168 0.7168 1.3321 1.3321 6.4364 6.4410 6.4603 6.4651 6.8611 6.8616 6.8872 6.8879 8.3160 8.3160 9.1763 9.1778 9.2330 9.2347 9.4315 9.4317 9.4627 9.4627 10.2172 10.2178 10.2665 10.2672 10.5378 10.5378 10.6042 10.6052 10.6426 10.6439 10.8224 10.8420 10.8681 10.8847 10.9126 10.9128 10.9510 10.9530 11.1648 11.1665 11.7429 11.7434 11.8039 11.8064 11.8504 11.8524 11.9861 11.9885 12.0301 12.0332 12.0603 12.0605 12.1452 12.1461 12.3751 12.3775 12.3934 12.3960 12.5629 12.5632 12.6168 12.6189 12.6649 12.6703 12.6981 12.7018 12.8599 12.8603 13.0261 13.0262 13.1194 13.1194 15.7382 15.7401 15.9375 15.9408 16.1167 16.1169 16.3216 16.3227 16.9996 16.9996 k = 0.0667 0.0385-0.0000 ( 3959 PWs) bands (ev): -1.1364 -1.1364 0.7105 0.7105 1.3220 1.3220 6.3779 6.3832 6.4106 6.4161 6.9298 6.9318 6.9585 6.9607 8.3177 8.3177 9.1611 9.1639 9.2313 9.2344 9.4373 9.4377 9.4646 9.4646 10.2117 10.2132 10.2611 10.2628 10.5441 10.5442 10.5971 10.6002 10.6402 10.6419 10.7972 10.8247 10.8696 10.8911 10.9202 10.9204 10.9552 10.9589 11.1817 11.1849 11.7313 11.7320 11.8055 11.8105 11.8509 11.8550 11.9701 11.9736 12.0267 12.0314 12.0614 12.0619 12.1598 12.1615 12.3668 12.3696 12.3971 12.4005 12.5670 12.5676 12.6141 12.6179 12.6600 12.6678 12.7032 12.7081 12.8917 12.8923 13.0258 13.0259 13.1190 13.1192 15.6537 15.6562 15.9167 15.9212 16.1108 16.1112 16.4109 16.4125 16.9817 16.9817 k = 0.0833 0.0481-0.0000 ( 3957 PWs) bands (ev): -1.1260 -1.1260 0.7024 0.7024 1.3091 1.3091 6.3186 6.3236 6.3676 6.3727 6.9972 7.0006 7.0354 7.0389 8.3199 8.3199 9.1400 9.1440 9.2314 9.2359 9.4446 9.4452 9.4671 9.4672 10.2049 10.2077 10.2546 10.2579 10.5504 10.5506 10.5879 10.5950 10.6376 10.6381 10.7725 10.8076 10.8724 10.8980 10.9283 10.9287 10.9608 10.9667 11.1990 11.2042 11.7175 11.7182 11.8070 11.8154 11.8510 11.8581 11.9521 11.9565 12.0239 12.0301 12.0627 12.0637 12.1752 12.1777 12.3573 12.3602 12.4017 12.4054 12.5699 12.5709 12.6130 12.6182 12.6580 12.6674 12.7101 12.7154 12.9282 12.9291 13.0253 13.0256 13.1185 13.1189 15.5680 15.5711 15.8922 15.8979 16.1033 16.1037 16.5005 16.5028 16.9589 16.9589 k = 0.1000 0.0577-0.0000 ( 3949 PWs) bands (ev): -1.1133 -1.1133 0.6925 0.6926 1.2935 1.2936 6.2600 6.2645 6.3301 6.3348 7.0637 7.0682 7.1159 7.1203 8.3225 8.3225 9.1138 9.1188 9.2330 9.2388 9.4536 9.4545 9.4701 9.4702 10.1970 10.2016 10.2475 10.2527 10.5519 10.5548 10.5791 10.5907 10.6313 10.6359 10.7519 10.7929 10.8761 10.9051 10.9364 10.9375 10.9680 10.9765 11.2157 11.2229 11.7021 11.7026 11.8086 11.8212 11.8510 11.8617 11.9330 11.9381 12.0211 12.0287 12.0642 12.0659 12.1909 12.1946 12.3470 12.3497 12.4068 12.4106 12.5707 12.5722 12.6155 12.6214 12.6587 12.6687 12.7189 12.7241 12.9687 12.9698 13.0252 13.0255 13.1182 13.1188 15.4825 15.4863 15.8630 15.8698 16.0942 16.0947 16.5899 16.5927 16.9313 16.9313 k = 0.1167 0.0674-0.0000 ( 3947 PWs) bands (ev): -1.0984 -1.0984 0.6809 0.6810 1.2754 1.2755 6.2026 6.2068 6.2984 6.3026 7.1292 7.1345 7.1985 7.2037 8.3255 8.3256 9.0831 9.0890 9.2357 9.2425 9.4642 9.4654 9.4738 9.4738 10.1882 10.1948 10.2402 10.2478 10.5405 10.5533 10.5766 10.5854 10.6245 10.6371 10.7386 10.7820 10.8805 10.9123 10.9442 10.9460 10.9770 10.9878 11.2310 11.2404 11.6853 11.6853 11.8101 11.8278 11.8506 11.8657 11.9137 11.9191 12.0180 12.0269 12.0656 12.0682 12.2068 12.2118 12.3363 12.3383 12.4120 12.4155 12.5696 12.5715 12.6214 12.6276 12.6618 12.6713 12.7292 12.7339 13.0094 13.0115 13.0283 13.0285 13.1182 13.1190 15.3980 15.4024 15.8286 15.8367 16.0838 16.0843 16.6784 16.6818 16.8993 16.8993 k = 0.1333 0.0770-0.0000 ( 3947 PWs) bands (ev): -1.0813 -1.0813 0.6676 0.6677 1.2549 1.2551 6.1468 6.1507 6.2725 6.2762 7.1931 7.1993 7.2822 7.2881 8.3290 8.3290 9.0488 9.0554 9.2390 9.2468 9.4764 9.4766 9.4781 9.4793 10.1788 10.1877 10.2333 10.2433 10.5189 10.5448 10.5715 10.5756 10.6266 10.6432 10.7333 10.7755 10.8854 10.9191 10.9518 10.9537 10.9875 11.0003 11.2443 11.2561 11.6669 11.6676 11.8114 11.8352 11.8503 11.8701 11.8946 11.9001 12.0143 12.0246 12.0668 12.0707 12.2222 12.2292 12.3255 12.3265 12.4171 12.4201 12.5679 12.5700 12.6297 12.6356 12.6668 12.6751 12.7411 12.7449 13.0208 13.0221 13.0649 13.0656 13.1188 13.1197 15.3149 15.3199 15.7891 15.7982 16.0719 16.0724 16.7655 16.7697 16.8632 16.8634 k = 0.1500 0.0866-0.0000 ( 3953 PWs) bands (ev): -1.0620 -1.0619 0.6525 0.6527 1.2323 1.2325 6.0928 6.0964 6.2525 6.2558 7.2550 7.2620 7.3663 7.3729 8.3327 8.3328 9.0116 9.0189 9.2426 9.2513 9.4820 9.4825 9.4906 9.4928 10.1690 10.1803 10.2271 10.2397 10.4917 10.5265 10.5540 10.5718 10.6374 10.6547 10.7342 10.7731 10.8905 10.9255 10.9589 10.9606 10.9992 11.0135 11.2554 11.2696 11.6474 11.6490 11.8125 11.8433 11.8501 11.8721 11.8788 11.8813 12.0097 12.0215 12.0676 12.0733 12.2367 12.2467 12.3145 12.3154 12.4219 12.4240 12.5670 12.5688 12.6390 12.6441 12.6739 12.6801 12.7543 12.7571 13.0211 13.0222 13.1156 13.1164 13.1206 13.1213 15.2333 15.2390 15.7445 15.7547 16.0582 16.0588 16.8210 16.8226 16.8541 16.8570 k = 0.1667 0.0962-0.0000 ( 3943 PWs) bands (ev): -1.0405 -1.0405 0.6357 0.6359 1.2077 1.2079 6.0407 6.0440 6.2385 6.2415 7.3142 7.3220 7.4501 7.4574 8.3368 8.3370 8.9724 8.9803 9.2465 9.2559 9.4871 9.4877 9.5063 9.5088 10.1591 10.1725 10.2224 10.2373 10.4611 10.4973 10.5409 10.5654 10.6522 10.6704 10.7398 10.7744 10.8957 10.9313 10.9656 10.9667 11.0116 11.0271 11.2642 11.2808 11.6274 11.6299 11.8129 11.8488 11.8534 11.8576 11.8634 11.8815 12.0044 12.0178 12.0678 12.0761 12.2490 12.2641 12.3028 12.3074 12.4262 12.4272 12.5674 12.5687 12.6484 12.6522 12.6832 12.6867 12.7689 12.7707 13.0210 13.0217 13.1228 13.1238 13.1705 13.1718 15.1535 15.1601 15.6951 15.7064 16.0426 16.0431 16.7794 16.7800 16.9370 16.9414 k = 0.1833 0.1058-0.0000 ( 3947 PWs) bands (ev): -1.0169 -1.0169 0.6171 0.6173 1.1814 1.1818 5.9907 5.9937 6.2306 6.2332 7.3698 7.3786 7.5329 7.5410 8.3413 8.3414 8.9319 8.9403 9.2505 9.2604 9.4927 9.4934 9.5234 9.5263 10.1493 10.1646 10.2193 10.2362 10.4282 10.4628 10.5300 10.5572 10.6686 10.6887 10.7486 10.7786 10.9007 10.9364 10.9718 10.9719 11.0239 11.0407 11.2704 11.2896 11.6069 11.6105 11.8114 11.8430 11.8448 11.8493 11.8641 11.8870 11.9982 12.0134 12.0674 12.0789 12.2566 12.2810 12.2915 12.3039 12.4295 12.4298 12.5694 12.5698 12.6568 12.6593 12.6941 12.6949 12.7845 12.7854 13.0207 13.0208 13.1270 13.1277 13.2285 13.2299 15.0757 15.0832 15.6412 15.6535 16.0245 16.0248 16.7340 16.7346 17.0194 17.0242 k = 0.2000 0.1155-0.0000 ( 3943 PWs) bands (ev): -0.9913 -0.9912 0.5966 0.5969 1.1539 1.1543 5.9428 5.9456 6.2286 6.2309 7.4212 7.4308 7.6141 7.6230 8.3460 8.3462 8.8913 8.9000 9.2545 9.2648 9.4987 9.4996 9.5419 9.5450 10.1399 10.1565 10.2183 10.2367 10.3940 10.4264 10.5200 10.5482 10.6857 10.7086 10.7602 10.7854 10.9056 10.9405 10.9764 10.9776 11.0361 11.0540 11.2743 11.2961 11.5863 11.5911 11.8055 11.8283 11.8338 11.8498 11.8749 11.8929 11.9912 12.0083 12.0661 12.0818 12.2566 12.2797 12.2986 12.3077 12.4310 12.4326 12.5725 12.5734 12.6640 12.6657 12.7048 12.7060 12.8013 12.8014 13.0195 13.0204 13.1331 13.1334 13.2897 13.2912 15.0001 15.0085 15.5832 15.5966 16.0033 16.0035 16.6869 16.6876 17.0998 17.1049 k = 0.2167 0.1251-0.0000 ( 3935 PWs) bands (ev): -0.9636 -0.9636 0.5742 0.5746 1.1255 1.1260 5.8971 5.8997 6.2326 6.2346 7.4672 7.4778 7.6930 7.7028 8.3510 8.3511 8.8516 8.8607 9.2584 9.2690 9.5051 9.5063 9.5615 9.5649 10.1310 10.1484 10.2197 10.2389 10.3591 10.3894 10.5103 10.5387 10.7029 10.7293 10.7739 10.7942 10.9101 10.9436 10.9802 10.9829 11.0478 11.0670 11.2757 11.3001 11.5658 11.5717 11.7946 11.8127 11.8308 11.8508 11.8864 11.8988 11.9835 12.0026 12.0642 12.0849 12.2510 12.2696 12.3144 12.3167 12.4314 12.4345 12.5768 12.5791 12.6701 12.6716 12.7160 12.7184 12.8186 12.8194 13.0178 13.0202 13.1412 13.1416 13.3537 13.3553 14.9268 14.9363 15.5218 15.5362 15.9783 15.9783 16.6393 16.6401 17.1780 17.1833 k = 0.2333 0.1347-0.0000 ( 3919 PWs) bands (ev): -0.9340 -0.9340 0.5497 0.5503 1.0965 1.0971 5.8537 5.8561 6.2423 6.2440 7.5069 7.5184 7.7690 7.7797 8.3562 8.3563 8.8142 8.8234 9.2622 9.2731 9.5120 9.5134 9.5818 9.5856 10.1228 10.1406 10.2236 10.2428 10.3242 10.3529 10.5011 10.5291 10.7196 10.7501 10.7895 10.8048 10.9142 10.9456 10.9832 10.9877 11.0591 11.0797 11.2750 11.3020 11.5458 11.5527 11.7819 11.7984 11.8308 11.8523 11.8984 11.9044 11.9752 11.9963 12.0617 12.0884 12.2433 12.2602 12.3275 12.3292 12.4312 12.4357 12.5828 12.5868 12.6753 12.6772 12.7281 12.7306 12.8371 12.8382 13.0157 13.0198 13.1515 13.1527 13.4206 13.4223 14.8562 14.8668 15.4574 15.4729 15.9486 15.9488 16.5922 16.5930 17.2538 17.2592 k = 0.2500 0.1443-0.0000 ( 3919 PWs) bands (ev): -0.9026 -0.9026 0.5233 0.5238 1.0675 1.0682 5.8127 5.8149 6.2577 6.2590 7.5390 7.5513 7.8414 7.8531 8.3615 8.3615 8.7805 8.7896 9.2661 9.2770 9.5193 9.5209 9.6025 9.6067 10.1153 10.1330 10.2297 10.2477 10.2897 10.3179 10.4922 10.5195 10.7358 10.7704 10.8063 10.8169 10.9177 10.9463 10.9855 10.9920 11.0699 11.0922 11.2721 11.3016 11.5263 11.5343 11.7694 11.7852 11.8318 11.8541 11.9091 11.9099 11.9662 11.9897 12.0588 12.0925 12.2349 12.2516 12.3382 12.3428 12.4299 12.4358 12.5900 12.5959 12.6797 12.6825 12.7402 12.7423 12.8563 12.8576 13.0132 13.0194 13.1646 13.1666 13.4901 13.4919 14.7882 14.8001 15.3907 15.4073 15.9135 15.9139 16.5467 16.5477 17.3271 17.3324 k = 0.2667 0.1540-0.0000 ( 3924 PWs) bands (ev): -0.8694 -0.8694 0.4946 0.4952 1.0389 1.0396 5.7741 5.7761 6.2784 6.2795 7.5624 7.5753 7.9096 7.9223 8.3668 8.3670 8.7517 8.7606 9.2698 9.2806 9.5269 9.5288 9.6233 9.6279 10.1087 10.1258 10.2367 10.2496 10.2577 10.2888 10.4837 10.5099 10.7513 10.7897 10.8237 10.8299 10.9208 10.9457 10.9868 10.9959 11.0805 11.1045 11.2673 11.2993 11.5077 11.5164 11.7578 11.7734 11.8329 11.8563 11.9126 11.9205 11.9569 11.9830 12.0565 12.0976 12.2269 12.2440 12.3483 12.3550 12.4277 12.4349 12.5984 12.6062 12.6837 12.6876 12.7523 12.7533 12.8760 12.8772 13.0105 13.0189 13.1806 13.1834 13.5623 13.5641 14.7232 14.7365 15.3225 15.3401 15.8722 15.8729 16.5041 16.5051 17.3978 17.4027 k = 0.2833 0.1636-0.0000 ( 3926 PWs) bands (ev): -0.8346 -0.8345 0.4637 0.4644 1.0110 1.0118 5.7380 5.7398 6.3043 6.3051 7.5761 7.5893 7.9731 7.9868 8.3721 8.3726 8.7294 8.7376 9.2734 9.2841 9.5348 9.5370 9.6438 9.6487 10.1029 10.1191 10.2199 10.2330 10.2530 10.2815 10.4757 10.5007 10.7663 10.8078 10.8410 10.8433 10.9236 10.9437 10.9873 10.9994 11.0915 11.1172 11.2608 11.2951 11.4902 11.4993 11.7476 11.7631 11.8338 11.8587 11.9146 11.9291 11.9473 11.9763 12.0559 12.1041 12.2193 12.2374 12.3575 12.3658 12.4248 12.4331 12.6079 12.6176 12.6875 12.6927 12.7636 12.7641 12.8958 12.8966 13.0078 13.0185 13.1998 13.2031 13.6368 13.6387 14.6614 14.6762 15.2536 15.2722 15.8244 15.8252 16.4652 16.4663 17.4655 17.4696 k = 0.3000 0.1732-0.0000 ( 3936 PWs) bands (ev): -0.7983 -0.7982 0.4307 0.4314 0.9843 0.9852 5.7044 5.7061 6.3352 6.3356 7.5792 7.5925 8.0315 8.0462 8.3773 8.3782 8.7142 8.7216 9.2770 9.2873 9.5431 9.5455 9.6636 9.6688 10.0982 10.1125 10.1893 10.2031 10.2661 10.2908 10.4683 10.4918 10.7807 10.8247 10.8559 10.8573 10.9260 10.9403 10.9868 11.0027 11.1031 11.1303 11.2529 11.2894 11.4740 11.4832 11.7389 11.7542 11.8338 11.8609 11.9148 11.9335 11.9382 11.9698 12.0581 12.1121 12.2125 12.2316 12.3656 12.3751 12.4211 12.4304 12.6178 12.6295 12.6910 12.6978 12.7734 12.7755 12.9149 12.9152 13.0056 13.0184 13.2221 13.2257 13.7137 13.7156 14.6033 14.6196 15.1847 15.2043 15.7698 15.7708 16.4306 16.4316 17.5294 17.5312 k = 0.3167 0.1828-0.0000 ( 3932 PWs) bands (ev): -0.7605 -0.7604 0.3955 0.3963 0.9592 0.9601 5.6733 5.6749 6.3706 6.3708 7.5715 7.5845 8.0844 8.1000 8.3825 8.3839 8.7068 8.7131 9.2806 9.2905 9.5516 9.5543 9.6825 9.6879 10.0945 10.1058 10.1603 10.1717 10.2823 10.3049 10.4616 10.4833 10.7946 10.8404 10.8670 10.8720 10.9282 10.9358 10.9855 11.0060 11.1157 11.1440 11.2440 11.2825 11.4594 11.4683 11.7316 11.7466 11.8327 11.8627 11.9133 11.9266 11.9368 11.9638 12.0646 12.1219 12.2065 12.2267 12.3728 12.3831 12.4167 12.4269 12.6280 12.6415 12.6946 12.7029 12.7826 12.7866 12.9321 12.9325 13.0047 13.0193 13.2473 13.2510 13.7929 13.7948 14.5491 14.5670 15.1166 15.1373 15.7085 15.7097 16.4005 16.4015 17.5644 17.5747 k = 0.3333 0.1925-0.0000 ( 3926 PWs) bands (ev): -0.7216 -0.7215 0.3585 0.3593 0.9359 0.9368 5.6448 5.6462 6.4103 6.4104 7.5532 7.5656 8.1318 8.1479 8.3875 8.3895 8.7067 8.7118 9.2842 9.2934 9.5603 9.5633 9.7000 9.7056 10.0919 10.0970 10.1355 10.1412 10.3006 10.3216 10.4555 10.4752 10.8079 10.8544 10.8760 10.8845 10.9304 10.9304 10.9834 11.0095 11.1292 11.1579 11.2345 11.2748 11.4466 11.4548 11.7257 11.7404 11.8299 11.8634 11.9104 11.9168 11.9349 11.9584 12.0750 12.1336 12.2014 12.2225 12.3788 12.3898 12.4118 12.4226 12.6380 12.6531 12.6984 12.7081 12.7915 12.7972 12.9458 12.9478 13.0063 13.0216 13.2750 13.2785 13.8741 13.8760 14.4993 14.5187 15.0503 15.0718 15.6411 15.6424 16.3748 16.3758 17.4758 17.4797 k = 0.3500 0.2021-0.0000 ( 3926 PWs) bands (ev): -0.6818 -0.6817 0.3197 0.3205 0.9147 0.9155 5.6190 5.6203 6.4537 6.4542 7.5251 7.5366 8.1737 8.1900 8.3924 8.3949 8.7130 8.7169 9.2876 9.2962 9.5692 9.5724 9.7159 9.7215 10.0824 10.0901 10.1123 10.1191 10.3207 10.3398 10.4502 10.4677 10.8204 10.8655 10.8838 10.8936 10.9251 10.9327 10.9809 11.0135 11.1430 11.1707 11.2256 11.2666 11.4360 11.4431 11.7213 11.7353 11.8252 11.8617 11.9064 11.9073 11.9313 11.9536 12.0887 12.1468 12.1970 12.2191 12.3835 12.3951 12.4067 12.4176 12.6474 12.6636 12.7026 12.7135 12.7998 12.8073 12.9547 12.9596 13.0120 13.0261 13.3044 13.3074 13.9571 13.9590 14.4543 14.4752 14.9866 15.0088 15.5683 15.5696 16.3532 16.3541 17.3574 17.3586 k = 0.3667 0.2117-0.0000 ( 3926 PWs) bands (ev): -0.6414 -0.6412 0.2796 0.2804 0.8956 0.8964 5.5958 5.5969 6.5008 6.5015 7.4883 7.4988 8.2102 8.2264 8.3970 8.4000 8.7242 8.7269 9.2910 9.2987 9.5780 9.5814 9.7301 9.7355 10.0619 10.0830 10.0911 10.1110 10.3421 10.3590 10.4457 10.4607 10.8318 10.8713 10.8921 10.8976 10.9222 10.9357 10.9785 11.0181 11.1559 11.1791 11.2203 11.2588 11.4280 11.4336 11.7181 11.7313 11.8182 11.8565 11.8989 11.9019 11.9276 11.9495 12.1045 12.1611 12.1935 12.2164 12.3856 12.3987 12.4026 12.4125 12.6559 12.6724 12.7075 12.7189 12.8079 12.8168 12.9585 12.9672 13.0217 13.0335 13.3348 13.3371 14.0416 14.0436 14.4148 14.4368 14.9263 14.9489 15.4907 15.4922 16.3353 16.3360 17.2395 17.2396 k = 0.3833 0.2213-0.0000 ( 3932 PWs) bands (ev): -0.6008 -0.6006 0.2388 0.2396 0.8788 0.8795 5.5753 5.5763 6.5509 6.5520 7.4443 7.4538 8.2416 8.2571 8.4015 8.4049 8.7387 8.7404 9.2942 9.3011 9.5868 9.5903 9.7423 9.7474 10.0402 10.0586 10.0903 10.1070 10.3642 10.3784 10.4424 10.4543 10.8417 10.8718 10.8954 10.9002 10.9233 10.9394 10.9770 11.0235 11.1658 11.1779 11.2230 11.2525 11.4231 11.4268 11.7161 11.7281 11.8092 11.8469 11.8920 11.8970 11.9251 11.9462 12.1211 12.1753 12.1915 12.2146 12.3831 12.3983 12.4017 12.4094 12.6633 12.6790 12.7135 12.7245 12.8155 12.8256 12.9590 12.9709 13.0337 13.0429 13.3650 13.3666 14.1278 14.1298 14.3810 14.4038 14.8703 14.8929 15.4094 15.4109 16.3206 16.3211 17.1260 17.1267 k = 0.4000 0.2309-0.0000 ( 3926 PWs) bands (ev): -0.5605 -0.5603 0.1980 0.1987 0.8643 0.8649 5.5575 5.5583 6.6038 6.6051 7.3946 7.4031 8.2683 8.2827 8.4058 8.4093 8.7547 8.7557 9.2972 9.3032 9.5953 9.5988 9.7527 9.7573 10.0198 10.0355 10.0910 10.1048 10.3863 10.3967 10.4407 10.4485 10.8491 10.8687 10.8907 10.9062 10.9263 10.9435 10.9782 11.0298 11.1691 11.1710 11.2313 11.2486 11.4215 11.4234 11.7151 11.7258 11.7987 11.8340 11.8863 11.8922 11.9243 11.9437 12.1375 12.1834 12.1968 12.2141 12.3769 12.3927 12.4034 12.4102 12.6697 12.6837 12.7202 12.7300 12.8228 12.8337 12.9579 12.9719 13.0462 13.0533 13.3940 13.3948 14.2150 14.2173 14.3538 14.3765 14.8194 14.8416 15.3250 15.3266 16.3086 16.3089 17.0207 17.0218 k = 0.4167 0.2406-0.0000 ( 3930 PWs) bands (ev): -0.5214 -0.5212 0.1581 0.1587 0.8520 0.8526 5.5424 5.5431 6.6586 6.6602 7.3409 7.3484 8.2904 8.3033 8.4097 8.4132 8.7708 8.7713 9.2999 9.3049 9.6033 9.6066 9.7611 9.7651 10.0015 10.0149 10.0924 10.1035 10.4077 10.4115 10.4423 10.4434 10.8526 10.8634 10.8877 10.9097 10.9292 10.9459 10.9838 11.0367 11.1575 11.1704 11.2397 11.2476 11.4234 11.4234 11.7150 11.7239 11.7873 11.8189 11.8815 11.8875 11.9249 11.9417 12.1523 12.1832 12.2107 12.2157 12.3688 12.3846 12.4059 12.4119 12.6749 12.6867 12.7269 12.7350 12.8297 12.8408 12.9563 12.9710 13.0580 13.0634 13.4205 13.4206 14.3007 14.3051 14.3354 14.3552 14.7747 14.7957 15.2383 15.2400 16.2990 16.2992 16.9261 16.9275 k = 0.4333 0.2502-0.0000 ( 3926 PWs) bands (ev): -0.4845 -0.4843 0.1204 0.1209 0.8421 0.8426 5.5301 5.5306 6.7145 6.7164 7.2849 7.2914 8.3084 8.3192 8.4134 8.4165 8.7857 8.7857 9.3024 9.3064 9.6107 9.6137 9.7677 9.7710 9.9860 9.9970 10.0940 10.1027 10.4199 10.4270 10.4395 10.4493 10.8511 10.8569 10.8886 10.9111 10.9317 10.9459 10.9938 11.0437 11.1455 11.1649 11.2460 11.2484 11.4268 11.4281 11.7157 11.7225 11.7762 11.8033 11.8776 11.8832 11.9265 11.9402 12.1640 12.1820 12.2202 12.2254 12.3601 12.3755 12.4083 12.4133 12.6792 12.6886 12.7331 12.7394 12.8361 12.8466 12.9550 12.9690 13.0685 13.0725 13.4430 13.4434 14.3155 14.3369 14.3948 14.3956 14.7369 14.7557 15.1502 15.1520 16.2915 16.2916 16.8447 16.8461 k = 0.4500 0.2598-0.0000 ( 3932 PWs) bands (ev): -0.4516 -0.4514 0.0866 0.0871 0.8344 0.8348 5.5205 5.5209 6.7699 6.7720 7.2289 7.2344 8.3224 8.3309 8.4165 8.4191 8.7981 8.7982 9.3044 9.3075 9.6170 9.6194 9.7727 9.7751 9.9738 9.9823 10.0957 10.1022 10.4228 10.4336 10.4464 10.4595 10.8468 10.8504 10.8922 10.9110 10.9336 10.9445 11.0062 11.0497 11.1347 11.1564 11.2497 11.2499 11.4321 11.4342 11.7167 11.7213 11.7663 11.7882 11.8746 11.8792 11.9285 11.9388 12.1717 12.1810 12.2280 12.2386 12.3517 12.3659 12.4104 12.4143 12.6827 12.6896 12.7384 12.7430 12.8418 12.8508 12.9543 12.9663 13.0770 13.0800 13.4613 13.4619 14.3072 14.3251 14.4829 14.4839 14.7073 14.7227 15.0617 15.0635 16.2859 16.2859 16.7787 16.7800 k = 0.4667 0.2694-0.0000 ( 3930 PWs) bands (ev): -0.4248 -0.4247 0.0592 0.0596 0.8290 0.8292 5.5136 5.5139 6.8220 6.8240 7.1765 7.1808 8.3326 8.3385 8.4191 8.4209 8.8075 8.8077 9.3061 9.3081 9.6219 9.6237 9.7762 9.7778 9.9652 9.9711 10.0974 10.1017 10.4239 10.4308 10.4599 10.4685 10.8424 10.8447 10.8967 10.9099 10.9353 10.9425 11.0196 11.0529 11.1273 11.1466 11.2509 11.2518 11.4382 11.4401 11.7179 11.7204 11.7592 11.7749 11.8727 11.8760 11.9306 11.9376 12.1759 12.1802 12.2379 12.2489 12.3448 12.3565 12.4122 12.4148 12.6853 12.6899 12.7425 12.7455 12.8468 12.8535 12.9545 12.9634 13.0835 13.0854 13.4748 13.4754 14.3033 14.3163 14.5696 14.5699 14.6873 14.6976 14.9744 14.9764 16.2819 16.2820 16.7301 16.7311 k = 0.4833 0.2791-0.0000 ( 3930 PWs) bands (ev): -0.4070 -0.4069 0.0410 0.0412 0.8258 0.8259 5.5095 5.5097 6.8638 6.8653 7.1350 7.1376 8.3393 8.3423 8.4209 8.4218 8.8135 8.8136 9.3073 9.3083 9.6252 9.6262 9.7784 9.7792 9.9606 9.9636 10.0990 10.1011 10.4250 10.4283 10.4695 10.4738 10.8395 10.8406 10.9010 10.9077 10.9369 10.9404 11.0325 11.0510 11.1254 11.1370 11.2517 11.2524 11.4430 11.4442 11.7189 11.7198 11.7562 11.7645 11.8718 11.8736 11.9326 11.9361 12.1779 12.1796 12.2474 12.2544 12.3413 12.3482 12.4134 12.4148 12.6873 12.6896 12.7453 12.7467 12.8507 12.8543 12.9557 12.9604 13.0876 13.0885 13.4830 13.4834 14.3031 14.3100 14.6430 14.6455 14.6828 14.6847 14.8943 14.8960 16.2796 16.2796 16.7004 16.7010 k = 0.5000 0.2887-0.0000 ( 3930 PWs) bands (ev): -0.4006 -0.4006 0.0346 0.0346 0.8247 0.8247 5.5082 5.5082 6.8819 6.8819 7.1187 7.1187 8.3425 8.3425 8.4218 8.4218 8.8156 8.8156 9.3081 9.3081 9.6267 9.6267 9.7794 9.7794 9.9601 9.9601 10.1002 10.1002 10.4263 10.4263 10.4742 10.4742 10.8388 10.8388 10.9047 10.9047 10.9386 10.9386 11.0436 11.0436 11.1292 11.1292 11.2522 11.2522 11.4452 11.4452 11.7194 11.7194 11.7580 11.7580 11.8722 11.8722 11.9345 11.9345 12.1790 12.1790 12.2536 12.2536 12.3425 12.3425 12.4143 12.4143 12.6887 12.6887 12.7467 12.7467 12.8533 12.8533 12.9577 12.9577 13.0893 13.0893 13.4860 13.4860 14.3056 14.3056 14.6630 14.6630 14.7038 14.7038 14.8515 14.8515 16.2788 16.2788 16.6906 16.6906 k = 0.5000 0.2887-0.0000 ( 3930 PWs) bands (ev): -0.4006 -0.4006 0.0346 0.0346 0.8247 0.8247 5.5082 5.5082 6.8819 6.8819 7.1187 7.1187 8.3425 8.3425 8.4218 8.4218 8.8156 8.8156 9.3081 9.3081 9.6267 9.6267 9.7794 9.7794 9.9601 9.9601 10.1002 10.1002 10.4263 10.4263 10.4742 10.4742 10.8388 10.8388 10.9047 10.9047 10.9386 10.9386 11.0436 11.0436 11.1292 11.1292 11.2522 11.2522 11.4452 11.4452 11.7194 11.7194 11.7580 11.7580 11.8722 11.8722 11.9345 11.9345 12.1790 12.1790 12.2536 12.2536 12.3425 12.3425 12.4143 12.4143 12.6887 12.6887 12.7467 12.7467 12.8533 12.8533 12.9577 12.9577 13.0893 13.0893 13.4860 13.4860 14.3056 14.3056 14.6630 14.6630 14.7038 14.7038 14.8515 14.8515 16.2788 16.2788 16.6906 16.6906 k = 0.4907 0.3047-0.0000 ( 3930 PWs) bands (ev): -0.4000 -0.4000 0.0356 0.0356 0.8224 0.8224 5.5117 5.5117 6.8801 6.8801 7.1145 7.1145 8.3457 8.3457 8.4222 8.4222 8.8159 8.8159 9.3082 9.3082 9.6271 9.6271 9.7793 9.7793 9.9589 9.9589 10.1012 10.1012 10.4275 10.4275 10.4734 10.4734 10.8337 10.8337 10.9019 10.9019 10.9400 10.9400 11.0496 11.0496 11.1294 11.1294 11.2521 11.2521 11.4462 11.4462 11.7183 11.7183 11.7581 11.7581 11.8711 11.8711 11.9347 11.9347 12.1787 12.1787 12.2535 12.2535 12.3415 12.3415 12.4152 12.4152 12.6894 12.6894 12.7468 12.7468 12.8532 12.8532 12.9568 12.9568 13.0893 13.0893 13.4899 13.4899 14.3072 14.3072 14.6634 14.6634 14.7051 14.7051 14.8528 14.8528 16.2742 16.2742 16.6912 16.6912 k = 0.4815 0.3208-0.0000 ( 3928 PWs) bands (ev): -0.3981 -0.3981 0.0383 0.0383 0.8154 0.8154 5.5220 5.5220 6.8748 6.8748 7.1020 7.1020 8.3548 8.3548 8.4235 8.4235 8.8168 8.8168 9.3087 9.3087 9.6282 9.6282 9.7792 9.7792 9.9556 9.9556 10.1043 10.1043 10.4310 10.4310 10.4711 10.4711 10.8208 10.8208 10.8910 10.8910 10.9473 10.9473 11.0648 11.0648 11.1301 11.1301 11.2516 11.2516 11.4494 11.4494 11.7149 11.7149 11.7585 11.7585 11.8679 11.8679 11.9357 11.9357 12.1780 12.1780 12.2529 12.2529 12.3385 12.3385 12.4176 12.4176 12.6913 12.6913 12.7472 12.7472 12.8529 12.8529 12.9543 12.9543 13.0891 13.0891 13.5015 13.5015 14.3120 14.3120 14.6643 14.6643 14.7090 14.7090 14.8565 14.8565 16.2601 16.2601 16.6928 16.6928 k = 0.4722 0.3368-0.0000 ( 3932 PWs) bands (ev): -0.3950 -0.3950 0.0429 0.0429 0.8039 0.8039 5.5390 5.5390 6.8660 6.8660 7.0819 7.0819 8.3688 8.3688 8.4261 8.4261 8.8183 8.8183 9.3094 9.3094 9.6299 9.6299 9.7790 9.7790 9.9502 9.9502 10.1093 10.1093 10.4363 10.4363 10.4676 10.4676 10.8036 10.8036 10.8735 10.8735 10.9594 10.9594 11.0838 11.0838 11.1326 11.1326 11.2509 11.2509 11.4543 11.4543 11.7094 11.7094 11.7591 11.7591 11.8624 11.8624 11.9374 11.9374 12.1768 12.1768 12.2519 12.2519 12.3335 12.3335 12.4215 12.4215 12.6945 12.6945 12.7478 12.7478 12.8525 12.8525 12.9504 12.9504 13.0888 13.0888 13.5204 13.5204 14.3200 14.3200 14.6655 14.6655 14.7157 14.7157 14.8627 14.8627 16.2371 16.2371 16.6954 16.6954 k = 0.4630 0.3528-0.0000 ( 3930 PWs) bands (ev): -0.3908 -0.3908 0.0492 0.0492 0.7880 0.7880 5.5627 5.5627 6.8538 6.8538 7.0547 7.0547 8.3854 8.3854 8.4318 8.4318 8.8202 8.8202 9.3104 9.3104 9.6324 9.6324 9.7788 9.7788 9.9429 9.9429 10.1164 10.1164 10.4418 10.4418 10.4645 10.4645 10.7843 10.7843 10.8530 10.8530 10.9735 10.9735 11.1002 11.1002 11.1403 11.1403 11.2499 11.2499 11.4613 11.4613 11.7019 11.7019 11.7599 11.7599 11.8547 11.8547 11.9404 11.9404 12.1752 12.1752 12.2505 12.2505 12.3267 12.3267 12.4267 12.4267 12.6987 12.6987 12.7486 12.7486 12.8520 12.8520 12.9455 12.9455 13.0884 13.0884 13.5461 13.5461 14.3309 14.3309 14.6667 14.6667 14.7255 14.7255 14.8712 14.8712 16.2054 16.2054 16.6991 16.6991 k = 0.4537 0.3689-0.0000 ( 3930 PWs) bands (ev): -0.3853 -0.3853 0.0574 0.0574 0.7679 0.7679 5.5927 5.5927 6.8385 6.8385 7.0216 7.0216 8.3999 8.3999 8.4439 8.4439 8.8224 8.8224 9.3115 9.3115 9.6357 9.6357 9.7785 9.7785 9.9339 9.9339 10.1254 10.1254 10.4434 10.4434 10.4658 10.4658 10.7637 10.7637 10.8315 10.8315 10.9877 10.9877 11.1087 11.1087 11.1575 11.1575 11.2490 11.2490 11.4700 11.4700 11.6928 11.6928 11.7607 11.7607 11.8449 11.8449 11.9445 11.9445 12.1733 12.1733 12.2486 12.2486 12.3183 12.3183 12.4328 12.4328 12.7039 12.7039 12.7496 12.7496 12.8514 12.8514 12.9399 12.9399 13.0880 13.0880 13.5777 13.5777 14.3446 14.3446 14.6676 14.6676 14.7385 14.7385 14.8822 14.8822 16.1657 16.1657 16.7038 16.7038 k = 0.4444 0.3849-0.0000 ( 3934 PWs) bands (ev): -0.3788 -0.3788 0.0674 0.0674 0.7439 0.7439 5.6289 5.6289 6.8201 6.8201 6.9834 6.9834 8.4088 8.4088 8.4654 8.4654 8.8249 8.8249 9.3127 9.3127 9.6396 9.6396 9.7780 9.7780 9.9235 9.9235 10.1362 10.1362 10.4386 10.4386 10.4740 10.4740 10.7425 10.7425 10.8099 10.8099 11.0012 11.0012 11.1114 11.1114 11.1806 11.1806 11.2487 11.2487 11.4802 11.4802 11.6823 11.6823 11.7613 11.7613 11.8328 11.8328 11.9499 11.9499 12.1711 12.1711 12.2462 12.2462 12.3084 12.3084 12.4397 12.4397 12.7097 12.7097 12.7508 12.7508 12.8507 12.8507 12.9341 12.9341 13.0876 13.0876 13.6146 13.6146 14.3609 14.3609 14.6679 14.6679 14.7546 14.7546 14.8956 14.8956 16.1184 16.1184 16.7095 16.7095 k = 0.4352 0.4009-0.0000 ( 3936 PWs) bands (ev): -0.3713 -0.3713 0.0791 0.0791 0.7164 0.7164 5.6708 5.6708 6.7989 6.7989 6.9410 6.9410 8.4135 8.4135 8.4934 8.4934 8.8274 8.8274 9.3139 9.3139 9.6442 9.6442 9.7776 9.7776 9.9120 9.9120 10.1488 10.1488 10.4306 10.4306 10.4857 10.4857 10.7210 10.7210 10.7887 10.7887 11.0135 11.0135 11.1121 11.1121 11.2037 11.2037 11.2510 11.2510 11.4917 11.4917 11.6706 11.6706 11.7616 11.7616 11.8192 11.8192 11.9565 11.9565 12.1687 12.1687 12.2432 12.2432 12.2973 12.2973 12.4470 12.4470 12.7160 12.7160 12.7522 12.7522 12.8499 12.8499 12.9283 12.9283 13.0871 13.0871 13.6560 13.6560 14.3792 14.3792 14.6675 14.6675 14.7741 14.7741 14.9114 14.9114 16.0644 16.0644 16.7162 16.7162 k = 0.4259 0.4170-0.0000 ( 3936 PWs) bands (ev): -0.3628 -0.3628 0.0926 0.0926 0.6857 0.6857 5.7183 5.7183 6.7752 6.7752 6.8955 6.8955 8.4166 8.4166 8.5248 8.5248 8.8298 8.8298 9.3151 9.3151 9.6496 9.6496 9.7770 9.7770 9.8996 9.8996 10.1630 10.1630 10.4215 10.4215 10.4990 10.4990 10.6996 10.6996 10.7682 10.7682 11.0241 11.0241 11.1128 11.1128 11.2191 11.2191 11.2619 11.2619 11.5043 11.5043 11.6583 11.6583 11.7610 11.7610 11.8045 11.8045 11.9644 11.9644 12.1662 12.1662 12.2396 12.2396 12.2854 12.2854 12.4545 12.4545 12.7225 12.7225 12.7538 12.7538 12.8491 12.8491 12.9228 12.9228 13.0867 13.0867 13.7011 13.7011 14.3994 14.3994 14.6659 14.6659 14.7967 14.7967 14.9294 14.9294 16.0044 16.0044 16.7239 16.7239 k = 0.4167 0.4330-0.0000 ( 3932 PWs) bands (ev): -0.3536 -0.3536 0.1078 0.1078 0.6522 0.6522 5.7708 5.7708 6.7491 6.7491 6.8475 6.8475 8.4189 8.4189 8.5576 8.5576 8.8318 8.8318 9.3162 9.3162 9.6558 9.6558 9.7766 9.7766 9.8865 9.8865 10.1788 10.1788 10.4117 10.4117 10.5131 10.5131 10.6785 10.6785 10.7486 10.7486 11.0326 11.0326 11.1141 11.1141 11.2233 11.2233 11.2843 11.2843 11.5178 11.5178 11.6456 11.6456 11.7587 11.7587 11.7895 11.7895 11.9734 11.9734 12.1639 12.1639 12.2351 12.2351 12.2731 12.2731 12.4620 12.4620 12.7290 12.7290 12.7555 12.7555 12.8484 12.8484 12.9177 12.9177 13.0864 13.0864 13.7492 13.7492 14.4207 14.4207 14.6628 14.6628 14.8225 14.8225 14.9497 14.9497 15.9389 15.9389 16.7324 16.7324 k = 0.4074 0.4491-0.0000 ( 3932 PWs) bands (ev): -0.3437 -0.3437 0.1247 0.1247 0.6164 0.6164 5.8280 5.8280 6.7209 6.7209 6.7978 6.7978 8.4209 8.4209 8.5907 8.5907 8.8332 8.8332 9.3171 9.3171 9.6626 9.6626 9.7760 9.7760 9.8730 9.8730 10.1957 10.1957 10.4018 10.4018 10.5274 10.5274 10.6578 10.6578 10.7300 10.7300 11.0387 11.0387 11.1168 11.1168 11.2219 11.2219 11.3120 11.3120 11.5314 11.5314 11.6332 11.6332 11.7523 11.7523 11.7765 11.7765 11.9835 11.9835 12.1616 12.1616 12.2296 12.2296 12.2607 12.2607 12.4692 12.4692 12.7353 12.7353 12.7573 12.7573 12.8477 12.8477 12.9131 12.9131 13.0860 13.0860 13.7995 13.7995 14.4427 14.4427 14.6580 14.6580 14.8515 14.8515 14.9722 14.9722 15.8688 15.8688 16.7417 16.7417 k = 0.3981 0.4651-0.0000 ( 3936 PWs) bands (ev): -0.3333 -0.3333 0.1433 0.1433 0.5787 0.5787 5.8895 5.8895 6.6908 6.6908 6.7472 6.7472 8.4226 8.4226 8.6233 8.6233 8.8338 8.8338 9.3177 9.3177 9.6702 9.6702 9.7753 9.7753 9.8593 9.8593 10.2136 10.2136 10.3921 10.3921 10.5413 10.5413 10.6379 10.6379 10.7127 10.7127 11.0425 11.0425 11.1209 11.1209 11.2185 11.2185 11.3413 11.3413 11.5446 11.5446 11.6220 11.6220 11.7396 11.7396 11.7678 11.7678 11.9944 11.9944 12.1596 12.1596 12.2228 12.2228 12.2491 12.2491 12.4758 12.4758 12.7411 12.7411 12.7592 12.7592 12.8471 12.8471 12.9089 12.9089 13.0856 13.0856 13.8511 13.8511 14.4646 14.4646 14.6509 14.6509 14.8835 14.8835 14.9968 14.9968 15.7945 15.7945 16.7516 16.7516 k = 0.3889 0.4811-0.0000 ( 3938 PWs) bands (ev): -0.3228 -0.3228 0.1635 0.1635 0.5397 0.5397 5.9548 5.9548 6.6589 6.6589 6.6963 6.6963 8.4241 8.4241 8.6547 8.6547 8.8333 8.8333 9.3181 9.3181 9.6784 9.6784 9.7745 9.7745 9.8455 9.8455 10.2322 10.2322 10.3828 10.3828 10.5541 10.5541 10.6197 10.6197 10.6965 10.6965 11.0442 11.0442 11.1264 11.1264 11.2138 11.2138 11.3711 11.3711 11.5553 11.5553 11.6141 11.6141 11.7227 11.7227 11.7613 11.7613 12.0060 12.0060 12.1580 12.1580 12.2147 12.2147 12.2386 12.2386 12.4818 12.4818 12.7463 12.7463 12.7612 12.7612 12.8466 12.8466 12.9053 12.9053 13.0853 13.0853 13.9031 13.9031 14.4854 14.4854 14.6414 14.6414 14.9185 14.9185 15.0234 15.0234 15.7167 15.7167 16.7618 16.7618 k = 0.3796 0.4972-0.0000 ( 3940 PWs) bands (ev): -0.3124 -0.3124 0.1853 0.1853 0.5000 0.5000 6.0234 6.0234 6.6246 6.6246 6.6466 6.6466 8.4255 8.4255 8.6843 8.6843 8.8316 8.8316 9.3183 9.3183 9.6876 9.6876 9.7734 9.7734 9.8321 9.8321 10.2509 10.2509 10.3741 10.3741 10.5637 10.5637 10.6051 10.6051 10.6818 10.6818 11.0445 11.0445 11.1329 11.1329 11.2084 11.2084 11.4007 11.4007 11.5597 11.5597 11.6133 11.6133 11.7041 11.7041 11.7543 11.7543 12.0178 12.0178 12.1570 12.1570 12.2056 12.2056 12.2293 12.2293 12.4870 12.4870 12.7508 12.7508 12.7633 12.7633 12.8464 12.8464 12.9023 12.9023 13.0851 13.0851 13.9543 13.9543 14.5041 14.5041 14.6295 14.6295 14.9565 14.9565 15.0520 15.0520 15.6360 15.6360 16.7721 16.7721 k = 0.3704 0.5132-0.0000 ( 3940 PWs) bands (ev): -0.3024 -0.3024 0.2086 0.2086 0.4602 0.4602 6.0948 6.0948 6.5850 6.5850 6.6018 6.6018 8.4266 8.4266 8.7117 8.7117 8.8282 8.8282 9.3183 9.3183 9.6974 9.6974 9.7716 9.7716 9.8196 9.8196 10.2691 10.2691 10.3664 10.3664 10.5643 10.5643 10.6001 10.6001 10.6685 10.6685 11.0439 11.0439 11.1401 11.1401 11.2024 11.2024 11.4298 11.4298 11.5562 11.5562 11.6213 11.6213 11.6855 11.6855 11.7458 11.7458 12.0292 12.0292 12.1570 12.1570 12.1965 12.1965 12.2208 12.2208 12.4914 12.4914 12.7543 12.7543 12.7654 12.7654 12.8463 12.8463 12.8998 12.8998 13.0849 13.0849 14.0031 14.0031 14.5194 14.5194 14.6161 14.6161 14.9973 14.9973 15.0823 15.0823 15.5529 15.5529 16.7818 16.7818 k = 0.3611 0.5292-0.0000 ( 3942 PWs) bands (ev): -0.2935 -0.2935 0.2334 0.2334 0.4210 0.4210 6.1681 6.1681 6.5390 6.5390 6.5641 6.5641 8.4276 8.4276 8.7364 8.7364 8.8231 8.8231 9.3182 9.3182 9.7079 9.7079 9.7684 9.7684 9.8087 9.8087 10.2857 10.2857 10.3601 10.3601 10.5554 10.5554 10.6053 10.6053 10.6568 10.6568 11.0430 11.0430 11.1476 11.1476 11.1958 11.1958 11.4575 11.4575 11.5482 11.5482 11.6345 11.6345 11.6678 11.6678 11.7353 11.7353 12.0394 12.0394 12.1585 12.1585 12.1883 12.1883 12.2126 12.2126 12.4948 12.4948 12.7568 12.7568 12.7674 12.7674 12.8463 12.8463 12.8977 12.8977 13.0848 13.0848 14.0475 14.0475 14.5295 14.5295 14.6029 14.6029 15.0410 15.0410 15.1143 15.1143 15.4678 15.4678 16.7904 16.7904 k = 0.3519 0.5453-0.0000 ( 3940 PWs) bands (ev): -0.2861 -0.2861 0.2597 0.2597 0.3834 0.3834 6.2417 6.2417 6.4932 6.4932 6.5287 6.5287 8.4284 8.4284 8.7580 8.7580 8.8160 8.8160 9.3180 9.3180 9.7191 9.7191 9.7626 9.7626 9.8008 9.8008 10.2992 10.2992 10.3557 10.3557 10.5449 10.5449 10.6135 10.6135 10.6467 10.6467 11.0422 11.0422 11.1553 11.1553 11.1889 11.1889 11.4828 11.4828 11.5391 11.5391 11.6451 11.6451 11.6571 11.6571 11.7227 11.7227 12.0474 12.0474 12.1621 12.1621 12.1816 12.1816 12.2046 12.2046 12.4972 12.4972 12.7586 12.7586 12.7691 12.7691 12.8464 12.8464 12.8962 12.8962 13.0848 13.0848 14.0845 14.0845 14.5327 14.5327 14.5931 14.5931 15.0873 15.0873 15.1474 15.1474 15.3814 15.3814 16.7971 16.7971 k = 0.3426 0.5613-0.0000 ( 3948 PWs) bands (ev): -0.2811 -0.2811 0.2874 0.2874 0.3482 0.3482 6.3099 6.3099 6.4548 6.4548 6.4943 6.4943 8.4288 8.4288 8.7759 8.7759 8.8071 8.8071 9.3178 9.3178 9.7308 9.7308 9.7538 9.7538 9.7964 9.7964 10.3075 10.3075 10.3539 10.3539 10.5372 10.5372 10.6209 10.6209 10.6387 10.6387 11.0415 11.0415 11.1625 11.1625 11.1820 11.1820 11.5028 11.5028 11.5311 11.5311 11.6364 11.6364 11.6700 11.6700 11.7081 11.7081 12.0523 12.0523 12.1678 12.1678 12.1766 12.1766 12.1969 12.1969 12.4987 12.4987 12.7595 12.7595 12.7701 12.7701 12.8465 12.8465 12.8952 12.8952 13.0847 13.0847 14.1100 14.1100 14.5305 14.5305 14.5883 14.5883 15.1362 15.1362 15.1805 15.1805 15.2953 15.2953 16.8020 16.8020 k = 0.3333 0.5774-0.0000 ( 3960 PWs) bands (ev): -0.2792 -0.2792 0.3164 0.3164 0.3164 0.3164 6.3440 6.3440 6.4454 6.4454 6.4681 6.4681 8.4289 8.4289 8.7860 8.7860 8.8000 8.8000 9.3176 9.3176 9.7426 9.7426 9.7426 9.7426 9.7949 9.7949 10.3100 10.3100 10.3538 10.3538 10.5343 10.5343 10.6244 10.6244 10.6349 10.6349 11.0413 11.0413 11.1669 11.1669 11.1778 11.1778 11.5107 11.5107 11.5280 11.5280 11.6314 11.6314 11.6821 11.6821 11.6965 11.6965 12.0539 12.0539 12.1726 12.1726 12.1740 12.1740 12.1925 12.1925 12.4990 12.4990 12.7598 12.7598 12.7705 12.7705 12.8466 12.8466 12.8948 12.8948 13.0847 13.0847 14.1193 14.1193 14.5286 14.5286 14.5868 14.5868 15.1864 15.1864 15.1887 15.1887 15.2354 15.2354 16.8056 16.8056 k = 0.3333 0.5774-0.0000 ( 3960 PWs) bands (ev): -0.2792 -0.2792 0.3164 0.3164 0.3164 0.3164 6.3440 6.3440 6.4454 6.4454 6.4681 6.4681 8.4289 8.4289 8.7860 8.7860 8.8000 8.8000 9.3176 9.3176 9.7426 9.7426 9.7426 9.7426 9.7949 9.7949 10.3100 10.3100 10.3538 10.3538 10.5343 10.5343 10.6244 10.6244 10.6349 10.6349 11.0413 11.0413 11.1669 11.1669 11.1778 11.1778 11.5107 11.5107 11.5280 11.5280 11.6314 11.6314 11.6821 11.6821 11.6965 11.6965 12.0539 12.0539 12.1726 12.1726 12.1740 12.1740 12.1925 12.1925 12.4990 12.4990 12.7598 12.7598 12.7705 12.7705 12.8466 12.8466 12.8948 12.8948 13.0847 13.0847 14.1193 14.1193 14.5286 14.5286 14.5868 14.5868 15.1864 15.1864 15.1887 15.1887 15.2354 15.2354 16.8056 16.8056 k = 0.3238 0.5609-0.0000 ( 3956 PWs) bands (ev): -0.2815 -0.2815 0.2885 0.2885 0.3476 0.3476 6.3207 6.3207 6.4203 6.4203 6.5181 6.5181 8.4288 8.4288 8.7757 8.7757 8.8070 8.8070 9.3177 9.3177 9.7300 9.7300 9.7543 9.7543 9.7964 9.7964 10.3081 10.3081 10.3528 10.3528 10.5376 10.5376 10.6219 10.6219 10.6376 10.6376 11.0415 11.0415 11.1623 11.1623 11.1822 11.1822 11.5067 11.5067 11.5263 11.5263 11.6373 11.6373 11.6683 11.6683 11.7098 11.7098 12.0524 12.0524 12.1704 12.1704 12.1715 12.1715 12.1991 12.1991 12.4985 12.4985 12.7595 12.7595 12.7701 12.7701 12.8465 12.8465 12.8952 12.8952 13.0847 13.0847 14.1089 14.1089 14.5302 14.5302 14.5895 14.5895 15.1059 15.1059 15.2428 15.2428 15.2633 15.2633 16.8095 16.8096 k = 0.3143 0.5444-0.0000 ( 3948 PWs) bands (ev): -0.2890 -0.2890 0.2664 0.2664 0.3800 0.3800 6.2813 6.2813 6.3863 6.3863 6.5966 6.5966 8.4282 8.4282 8.7578 8.7578 8.8148 8.8148 9.3181 9.3181 9.7168 9.7168 9.7638 9.7638 9.8016 9.8016 10.3037 10.3037 10.3484 10.3484 10.5472 10.5472 10.6186 10.6186 10.6414 10.6414 11.0420 11.0420 11.1545 11.1545 11.1896 11.1896 11.5006 11.5006 11.5175 11.5175 11.6437 11.6437 11.6571 11.6571 11.7286 11.7286 12.0486 12.0486 12.1619 12.1619 12.1711 12.1711 12.2134 12.2134 12.4971 12.4971 12.7584 12.7584 12.7688 12.7688 12.8460 12.8460 12.8964 12.8964 13.0846 13.0846 14.0788 14.0788 14.5298 14.5298 14.6025 14.6025 15.0143 15.0143 15.3003 15.3003 15.3019 15.3019 16.8251 16.8252 k = 0.3048 0.5279-0.0000 ( 3934 PWs) bands (ev): -0.3023 -0.3023 0.2510 0.2510 0.4136 0.4136 6.2402 6.2402 6.3524 6.3524 6.6801 6.6801 8.4273 8.4273 8.7360 8.7360 8.8194 8.8194 9.3188 9.3188 9.7035 9.7035 9.7693 9.7693 9.8118 9.8118 10.2978 10.2978 10.3406 10.3406 10.5615 10.5615 10.6169 10.6169 10.6444 10.6444 11.0426 11.0426 11.1464 11.1464 11.1970 11.1970 11.4951 11.4951 11.5038 11.5038 11.6228 11.6228 11.6772 11.6772 11.7481 11.7481 12.0431 12.0431 12.1517 12.1517 12.1718 12.1718 12.2303 12.2303 12.4946 12.4946 12.7564 12.7564 12.7669 12.7669 12.8452 12.8452 12.8986 12.8986 13.0841 13.0841 14.0329 14.0329 14.5217 14.5217 14.6294 14.6294 14.9218 14.9218 15.3419 15.3419 15.3602 15.3602 16.8435 16.8435 k = 0.2952 0.5114-0.0000 ( 3932 PWs) bands (ev): -0.3217 -0.3217 0.2425 0.2425 0.4483 0.4483 6.2001 6.2001 6.3195 6.3195 6.7650 6.7650 8.4259 8.4259 8.7106 8.7106 8.8207 8.8207 9.3197 9.3197 9.6903 9.6903 9.7710 9.7710 9.8264 9.8264 10.2905 10.2905 10.3303 10.3303 10.5776 10.5776 10.6177 10.6177 10.6470 10.6470 11.0429 11.0429 11.1383 11.1383 11.2040 11.2040 11.4859 11.4859 11.4929 11.4929 11.5994 11.5994 11.7014 11.7014 11.7675 11.7675 12.0362 12.0362 12.1408 12.1408 12.1732 12.1732 12.2482 12.2482 12.4913 12.4913 12.7532 12.7532 12.7645 12.7645 12.8438 12.8438 12.9016 12.9016 13.0833 13.0833 13.9762 13.9762 14.5074 14.5074 14.6659 14.6659 14.8298 14.8298 15.3829 15.3829 15.4220 15.4220 16.8680 16.8680 k = 0.2857 0.4949-0.0000 ( 3934 PWs) bands (ev): -0.3466 -0.3466 0.2407 0.2407 0.4840 0.4840 6.1620 6.1620 6.2876 6.2876 6.8501 6.8501 8.4240 8.4240 8.6817 8.6817 8.8186 8.8186 9.3208 9.3208 9.6772 9.6772 9.7701 9.7701 9.8440 9.8440 10.2819 10.2819 10.3188 10.3188 10.5912 10.5912 10.6221 10.6221 10.6513 10.6513 11.0426 11.0426 11.1305 11.1305 11.2100 11.2100 11.4692 11.4692 11.4899 11.4899 11.5763 11.5763 11.7265 11.7265 11.7867 11.7867 12.0284 12.0284 12.1295 12.1295 12.1754 12.1754 12.2664 12.2664 12.4869 12.4869 12.7487 12.7487 12.7617 12.7617 12.8418 12.8418 12.9054 12.9054 13.0817 13.0817 13.9126 13.9126 14.4900 14.4900 14.6997 14.6997 14.7466 14.7466 15.4245 15.4245 15.4856 15.4856 16.8977 16.8977 k = 0.2762 0.4784-0.0000 ( 3936 PWs) bands (ev): -0.3765 -0.3765 0.2448 0.2448 0.5206 0.5206 6.1263 6.1263 6.2572 6.2572 6.9347 6.9347 8.4217 8.4217 8.6492 8.6492 8.8134 8.8134 9.3221 9.3221 9.6642 9.6642 9.7672 9.7672 9.8638 9.8638 10.2718 10.2718 10.3072 10.3072 10.5994 10.5994 10.6273 10.6273 10.6617 10.6617 11.0414 11.0414 11.1232 11.1232 11.2146 11.2146 11.4519 11.4519 11.4883 11.4883 11.5551 11.5551 11.7516 11.7516 11.8056 11.8056 12.0200 12.0200 12.1180 12.1180 12.1781 12.1781 12.2843 12.2843 12.4816 12.4816 12.7428 12.7428 12.7586 12.7586 12.8392 12.8392 12.9100 12.9100 13.0793 13.0793 13.8453 13.8453 14.4720 14.4720 14.6380 14.6380 14.7628 14.7628 15.4662 15.4662 15.5509 15.5509 16.9306 16.9306 k = 0.2667 0.4619-0.0000 ( 3936 PWs) bands (ev): -0.4104 -0.4104 0.2541 0.2541 0.5580 0.5580 6.0933 6.0933 6.2284 6.2284 7.0180 7.0180 8.4189 8.4189 8.6131 8.6131 8.8055 8.8055 9.3234 9.3234 9.6516 9.6516 9.7628 9.7628 9.8853 9.8853 10.2602 10.2602 10.2960 10.2960 10.6042 10.6042 10.6289 10.6289 10.6800 10.6800 11.0390 11.0390 11.1164 11.1164 11.2171 11.2171 11.4349 11.4349 11.4858 11.4858 11.5386 11.5386 11.7763 11.7763 11.8239 11.8239 12.0109 12.0109 12.1065 12.1065 12.1812 12.1812 12.3019 12.3019 12.4754 12.4754 12.7356 12.7356 12.7554 12.7554 12.8361 12.8361 12.9151 12.9151 13.0757 13.0757 13.7766 13.7766 14.4552 14.4552 14.5480 14.5480 14.8101 14.8101 15.5079 15.5079 15.6176 15.6176 16.9649 16.9649 k = 0.2571 0.4454-0.0000 ( 3934 PWs) bands (ev): -0.4473 -0.4473 0.2676 0.2676 0.5960 0.5960 6.0633 6.0633 6.2014 6.2014 7.0994 7.0994 8.4156 8.4156 8.5735 8.5735 8.7952 8.7952 9.3246 9.3246 9.6393 9.6393 9.7568 9.7568 9.9084 9.9084 10.2475 10.2475 10.2855 10.2855 10.6081 10.6081 10.6277 10.6277 10.7025 10.7025 11.0354 11.0354 11.1101 11.1101 11.2168 11.2168 11.4187 11.4187 11.4796 11.4796 11.5306 11.5306 11.8004 11.8004 11.8415 11.8415 12.0014 12.0014 12.0952 12.0952 12.1847 12.1847 12.3185 12.3185 12.4685 12.4685 12.7272 12.7272 12.7518 12.7518 12.8323 12.8323 12.9206 12.9206 13.0707 13.0707 13.7082 13.7082 14.4394 14.4394 14.4599 14.4599 14.8601 14.8601 15.5493 15.5493 15.6855 15.6855 16.9991 16.9991 k = 0.2476 0.4289-0.0000 ( 3934 PWs) bands (ev): -0.4862 -0.4862 0.2844 0.2844 0.6346 0.6346 6.0363 6.0363 6.1763 6.1763 7.1782 7.1782 8.4116 8.4116 8.5304 8.5304 8.7831 8.7831 9.3256 9.3256 9.6272 9.6272 9.7492 9.7492 9.9328 9.9328 10.2342 10.2342 10.2756 10.2756 10.6117 10.6117 10.6254 10.6254 10.7260 10.7260 11.0308 11.0308 11.1041 11.1041 11.2130 11.2130 11.4039 11.4039 11.4697 11.4697 11.5319 11.5319 11.8235 11.8235 11.8582 11.8582 11.9915 11.9915 12.0842 12.0842 12.1884 12.1884 12.3342 12.3342 12.4607 12.4607 12.7177 12.7177 12.7480 12.7480 12.8280 12.8280 12.9264 12.9264 13.0642 13.0642 13.6415 13.6415 14.3659 14.3659 14.4347 14.4347 14.9112 14.9112 15.5903 15.5903 15.7544 15.7544 17.0323 17.0323 k = 0.2381 0.4124-0.0000 ( 3924 PWs) bands (ev): -0.5265 -0.5265 0.3037 0.3037 0.6737 0.6737 6.0126 6.0126 6.1534 6.1534 7.2535 7.2535 8.4066 8.4066 8.4845 8.4845 8.7698 8.7698 9.3262 9.3262 9.6156 9.6156 9.7401 9.7401 9.9585 9.9585 10.2210 10.2210 10.2660 10.2660 10.6143 10.6143 10.6237 10.6237 10.7490 10.7490 11.0252 11.0252 11.0982 11.0982 11.2053 11.2053 11.3906 11.3906 11.4596 11.4596 11.5395 11.5395 11.8456 11.8456 11.8736 11.8736 11.9815 11.9815 12.0741 12.0741 12.1925 12.1925 12.3489 12.3489 12.4523 12.4523 12.7073 12.7073 12.7438 12.7438 12.8233 12.8233 12.9320 12.9320 13.0561 13.0561 13.5774 13.5774 14.2773 14.2773 14.4316 14.4316 14.9631 14.9631 15.6305 15.6305 15.8242 15.8242 17.0638 17.0638 k = 0.2286 0.3959-0.0000 ( 3928 PWs) bands (ev): -0.5674 -0.5674 0.3250 0.3250 0.7130 0.7130 5.9922 5.9922 6.1328 6.1328 7.3243 7.3243 8.3977 8.3977 8.4383 8.4383 8.7560 8.7560 9.3264 9.3264 9.6042 9.6042 9.7295 9.7295 9.9855 9.9855 10.2083 10.2083 10.2568 10.2568 10.6136 10.6136 10.6254 10.6254 10.7704 10.7704 11.0190 11.0190 11.0921 11.0921 11.1935 11.1935 11.3790 11.3790 11.4521 11.4521 11.5512 11.5512 11.8661 11.8661 11.8873 11.8873 11.9714 11.9714 12.0652 12.0652 12.1966 12.1966 12.3622 12.3622 12.4431 12.4431 12.6960 12.6960 12.7393 12.7393 12.8178 12.8178 12.9370 12.9370 13.0465 13.0465 13.5167 13.5167 14.1895 14.1895 14.4356 14.4356 15.0156 15.0156 15.6698 15.6698 15.8944 15.8944 17.0932 17.0932 k = 0.2190 0.3794-0.0000 ( 3936 PWs) bands (ev): -0.6085 -0.6085 0.3477 0.3477 0.7525 0.7525 5.9754 5.9754 6.1148 6.1148 7.3897 7.3897 8.3676 8.3676 8.4095 8.4095 8.7428 8.7428 9.3259 9.3259 9.5932 9.5932 9.7173 9.7173 10.0137 10.0137 10.1964 10.1964 10.2479 10.2479 10.6106 10.6106 10.6297 10.6297 10.7892 10.7892 11.0123 11.0123 11.0857 11.0857 11.1784 11.1784 11.3689 11.3689 11.4483 11.4483 11.5655 11.5655 11.8841 11.8841 11.8993 11.8993 11.9618 11.9618 12.0579 12.0579 12.2007 12.2007 12.3741 12.3741 12.4334 12.4334 12.6841 12.6841 12.7343 12.7343 12.8118 12.8118 12.9409 12.9409 13.0358 13.0358 13.4601 13.4601 14.1031 14.1031 14.4471 14.4471 15.0684 15.0684 15.7079 15.7079 15.9649 15.9649 17.1201 17.1201 k = 0.2095 0.3629-0.0000 ( 3936 PWs) bands (ev): -0.6494 -0.6494 0.3714 0.3714 0.7921 0.7921 5.9623 5.9623 6.0994 6.0994 7.4483 7.4483 8.3144 8.3144 8.4002 8.4002 8.7312 8.7312 9.3247 9.3247 9.5825 9.5825 9.7038 9.7038 10.0431 10.0431 10.1859 10.1859 10.2397 10.2397 10.6071 10.6071 10.6349 10.6349 10.8045 10.8045 11.0056 11.0056 11.0789 11.0789 11.1612 11.1612 11.3599 11.3599 11.4486 11.4486 11.5820 11.5820 11.8975 11.8975 11.9104 11.9104 11.9535 11.9535 12.0528 12.0528 12.2051 12.2051 12.3844 12.3844 12.4234 12.4234 12.6718 12.6718 12.7293 12.7293 12.8052 12.8052 12.9428 12.9428 13.0251 13.0251 13.4078 13.4078 14.0182 14.0182 14.4663 14.4663 15.1216 15.1216 15.7448 15.7448 16.0355 16.0355 17.1439 17.1439 k = 0.2000 0.3464-0.0000 ( 3925 PWs) bands (ev): -0.6898 -0.6898 0.3957 0.3957 0.8314 0.8314 5.9528 5.9528 6.0868 6.0868 7.4988 7.4988 8.2544 8.2544 8.3940 8.3940 8.7225 8.7225 9.3227 9.3227 9.5723 9.5723 9.6890 9.6890 10.0733 10.0733 10.1770 10.1770 10.2324 10.2324 10.6037 10.6037 10.6405 10.6405 10.8155 10.8155 10.9990 10.9990 11.0718 11.0718 11.1433 11.1433 11.3517 11.3517 11.4526 11.4526 11.6002 11.6002 11.9040 11.9040 11.9196 11.9196 11.9497 11.9497 12.0503 12.0503 12.2096 12.2096 12.3924 12.3924 12.4140 12.4140 12.6592 12.6592 12.7240 12.7240 12.7980 12.7980 12.9412 12.9412 13.0159 13.0159 13.3601 13.3601 13.9350 13.9350 14.4932 14.4932 15.1750 15.1750 15.7802 15.7802 16.1059 16.1059 17.1639 17.1639 k = 0.1905 0.3299-0.0000 ( 3943 PWs) bands (ev): -0.7293 -0.7293 0.4203 0.4203 0.8705 0.8705 5.9472 5.9472 6.0771 6.0771 7.5397 7.5397 8.1904 8.1904 8.3883 8.3883 8.7180 8.7180 9.3199 9.3199 9.5624 9.5624 9.6730 9.6730 10.1038 10.1038 10.1701 10.1701 10.2260 10.2260 10.6005 10.6005 10.6462 10.6462 10.8212 10.8212 10.9927 10.9927 11.0642 11.0642 11.1258 11.1258 11.3441 11.3441 11.4598 11.4598 11.6196 11.6196 11.9046 11.9046 11.9209 11.9209 11.9548 11.9548 12.0503 12.0503 12.2143 12.2143 12.3931 12.3931 12.4098 12.4098 12.6465 12.6465 12.7183 12.7183 12.7902 12.7902 12.9347 12.9347 13.0097 13.0097 13.3172 13.3172 13.8535 13.8535 14.5274 14.5274 15.2284 15.2284 15.8139 15.8139 16.1757 16.1757 17.1793 17.1793 k = 0.1810 0.3134-0.0000 ( 3939 PWs) bands (ev): -0.7677 -0.7677 0.4450 0.4450 0.9091 0.9091 5.9455 5.9455 6.0706 6.0706 7.5697 7.5697 8.1232 8.1232 8.3827 8.3827 8.7189 8.7189 9.3162 9.3162 9.5529 9.5529 9.6561 9.6561 10.1322 10.1322 10.1675 10.1675 10.2213 10.2213 10.5977 10.5977 10.6519 10.6519 10.8213 10.8213 10.9869 10.9869 11.0562 11.0562 11.1097 11.1097 11.3372 11.3372 11.4698 11.4698 11.6403 11.6403 11.9010 11.9010 11.9166 11.9166 11.9659 11.9659 12.0525 12.0525 12.2194 12.2194 12.3843 12.3843 12.4137 12.4137 12.6340 12.6340 12.7126 12.7126 12.7817 12.7817 12.9232 12.9232 13.0073 13.0073 13.2791 13.2791 13.7740 13.7740 14.5686 14.5686 15.2819 15.2819 15.8459 15.8459 16.2447 16.2447 17.1891 17.1891 k = 0.1714 0.2969-0.0000 ( 3939 PWs) bands (ev): -0.8049 -0.8049 0.4695 0.4695 0.9471 0.9471 5.9478 5.9478 6.0673 6.0673 7.5878 7.5878 8.0530 8.0530 8.3772 8.3772 8.7264 8.7264 9.3117 9.3117 9.5439 9.5439 9.6386 9.6386 10.1476 10.1476 10.1788 10.1788 10.2196 10.2196 10.5954 10.5954 10.6575 10.6575 10.8158 10.8158 10.9814 10.9814 11.0477 11.0477 11.0954 11.0954 11.3307 11.3307 11.4823 11.4823 11.6618 11.6618 11.8946 11.8946 11.9108 11.9108 11.9776 11.9776 12.0559 12.0559 12.2250 12.2250 12.3726 12.3726 12.4189 12.4189 12.6220 12.6220 12.7067 12.7067 12.7725 12.7725 12.9078 12.9078 13.0075 13.0075 13.2458 13.2458 13.6966 13.6966 14.6162 14.6162 15.3352 15.3352 15.8760 15.8760 16.3127 16.3127 17.1922 17.1922 k = 0.1619 0.2804-0.0000 ( 3931 PWs) bands (ev): -0.8407 -0.8407 0.4937 0.4937 0.9843 0.9843 5.9541 5.9541 6.0673 6.0673 7.5934 7.5934 7.9801 7.9801 8.3717 8.3717 8.7408 8.7408 9.3065 9.3065 9.5352 9.5352 9.6206 9.6206 10.1492 10.1492 10.1978 10.1978 10.2278 10.2278 10.5936 10.5936 10.6630 10.6630 10.8053 10.8053 10.9761 10.9761 11.0389 11.0389 11.0831 11.0831 11.3247 11.3247 11.4968 11.4968 11.6840 11.6840 11.8870 11.8870 11.9046 11.9046 11.9886 11.9886 12.0601 12.0601 12.2313 12.2313 12.3600 12.3600 12.4234 12.4234 12.6106 12.6106 12.7006 12.7006 12.7627 12.7627 12.8902 12.8902 13.0093 13.0093 13.2171 13.2171 13.6213 13.6213 14.6697 14.6697 15.3881 15.3881 15.9042 15.9042 16.3792 16.3792 17.1876 17.1876 k = 0.1524 0.2639-0.0000 ( 3931 PWs) bands (ev): -0.8749 -0.8749 0.5172 0.5172 1.0206 1.0206 5.9644 5.9644 6.0709 6.0709 7.5866 7.5866 7.9047 7.9047 8.3662 8.3662 8.7621 8.7621 9.3006 9.3006 9.5270 9.5270 9.6024 9.6024 10.1491 10.1491 10.2040 10.2040 10.2544 10.2544 10.5924 10.5924 10.6682 10.6682 10.7910 10.7910 10.9704 10.9704 11.0298 11.0298 11.0722 11.0722 11.3190 11.3190 11.5130 11.5130 11.7066 11.7066 11.8790 11.8790 11.8981 11.8981 11.9983 11.9983 12.0640 12.0640 12.2381 12.2381 12.3470 12.3470 12.4269 12.4269 12.6001 12.6001 12.6944 12.6944 12.7521 12.7521 12.8715 12.8715 13.0116 13.0116 13.1929 13.1929 13.5483 13.5483 14.7284 14.7284 15.4406 15.4406 15.9305 15.9305 16.4440 16.4440 17.1744 17.1744 k = 0.1429 0.2474-0.0000 ( 3923 PWs) bands (ev): -0.9075 -0.9075 0.5401 0.5401 1.0558 1.0558 5.9788 5.9788 6.0780 6.0780 7.5680 7.5680 7.8274 7.8274 8.3608 8.3608 8.7896 8.7896 9.2942 9.2942 9.5192 9.5192 9.5843 9.5843 10.1498 10.1498 10.2058 10.2058 10.2880 10.2880 10.5917 10.5917 10.6731 10.6731 10.7740 10.7740 10.9643 10.9643 11.0206 11.0206 11.0623 11.0623 11.3132 11.3132 11.5306 11.5306 11.7296 11.7296 11.8711 11.8711 11.8917 11.8917 12.0064 12.0064 12.0675 12.0675 12.2455 12.2455 12.3338 12.3338 12.4293 12.4293 12.5908 12.5908 12.6880 12.6880 12.7410 12.7410 12.8526 12.8526 13.0141 13.0141 13.1729 13.1729 13.4777 13.4777 14.7916 14.7916 15.4923 15.4923 15.9548 15.9548 16.5068 16.5068 17.1519 17.1519 k = 0.1333 0.2309-0.0000 ( 3925 PWs) bands (ev): -0.9384 -0.9384 0.5621 0.5621 1.0896 1.0896 5.9973 5.9973 6.0887 6.0887 7.5388 7.5388 7.7483 7.7483 8.3556 8.3556 8.8223 8.8223 9.2873 9.2873 9.5119 9.5119 9.5664 9.5664 10.1518 10.1518 10.2077 10.2077 10.3234 10.3234 10.5914 10.5914 10.6775 10.6775 10.7558 10.7558 10.9575 10.9575 11.0114 11.0114 11.0526 11.0526 11.3072 11.3072 11.5493 11.5493 11.7528 11.7528 11.8633 11.8633 11.8856 11.8856 12.0130 12.0130 12.0701 12.0701 12.2533 12.2533 12.3207 12.3207 12.4307 12.4307 12.5829 12.5829 12.6814 12.6814 12.7294 12.7294 12.8339 12.8339 13.0163 13.0163 13.1568 13.1568 13.4097 13.4097 14.8588 14.8588 15.5429 15.5429 15.9772 15.9772 16.5673 16.5673 17.1197 17.1197 k = 0.1238 0.2144-0.0000 ( 3939 PWs) bands (ev): -0.9674 -0.9674 0.5831 0.5831 1.1220 1.1220 6.0199 6.0199 6.1033 6.1033 7.5003 7.5003 7.6678 7.6678 8.3504 8.3504 8.8588 8.8588 9.2801 9.2801 9.5049 9.5049 9.5489 9.5489 10.1549 10.1549 10.2105 10.2105 10.3592 10.3592 10.5915 10.5915 10.6810 10.6810 10.7377 10.7377 10.9501 10.9501 11.0022 11.0022 11.0427 11.0427 11.3007 11.3007 11.5688 11.5688 11.7758 11.7758 11.8558 11.8558 11.8801 11.8801 12.0180 12.0180 12.0717 12.0717 12.2606 12.2606 12.3084 12.3084 12.4309 12.4309 12.5764 12.5764 12.6744 12.6744 12.7175 12.7175 12.8159 12.8159 13.0181 13.0181 13.1443 13.1443 13.3442 13.3442 14.9296 14.9296 15.5923 15.5923 15.9977 15.9977 16.6252 16.6252 17.0779 17.0779 k = 0.1143 0.1979-0.0000 ( 3939 PWs) bands (ev): -0.9945 -0.9945 0.6029 0.6029 1.1527 1.1527 6.0465 6.0465 6.1216 6.1216 7.4539 7.4539 7.5863 7.5863 8.3455 8.3455 8.8977 8.8977 9.2729 9.2729 9.4985 9.4985 9.5321 9.5321 10.1593 10.1593 10.2142 10.2142 10.3949 10.3949 10.5919 10.5919 10.6820 10.6820 10.7227 10.7227 10.9422 10.9422 10.9931 10.9931 11.0326 11.0326 11.2933 11.2933 11.5888 11.5888 11.7988 11.7988 11.8489 11.8489 11.8754 11.8754 12.0217 12.0217 12.0724 12.0724 12.2649 12.2649 12.2998 12.2998 12.4301 12.4301 12.5718 12.5718 12.6670 12.6670 12.7059 12.7059 12.7989 12.7989 13.0195 13.0195 13.1350 13.1350 13.2815 13.2815 15.0033 15.0033 15.6400 15.6400 16.0163 16.0163 16.6801 16.6801 17.0270 17.0270 k = 0.1048 0.1815-0.0000 ( 3945 PWs) bands (ev): -1.0197 -1.0197 0.6216 0.6216 1.1817 1.1817 6.0770 6.0770 6.1439 6.1439 7.4010 7.4010 7.5042 7.5042 8.3408 8.3408 8.9377 8.9377 9.2657 9.2657 9.4924 9.4924 9.5162 9.5162 10.1648 10.1648 10.2189 10.2189 10.4299 10.4299 10.5922 10.5922 10.6771 10.6771 10.7151 10.7151 10.9340 10.9340 10.9839 10.9839 11.0220 11.0220 11.2848 11.2848 11.6090 11.6090 11.8206 11.8206 11.8432 11.8432 11.8713 11.8713 12.0243 12.0243 12.0723 12.0723 12.2611 12.2611 12.2994 12.2994 12.4283 12.4283 12.5687 12.5687 12.6590 12.6590 12.6952 12.6952 12.7830 12.7830 13.0206 13.0206 13.1283 13.1283 13.2216 13.2216 15.0796 15.0796 15.6858 15.6858 16.0332 16.0332 16.7318 16.7318 16.9677 16.9677 k = 0.0952 0.1650-0.0000 ( 3935 PWs) bands (ev): -1.0428 -1.0428 0.6389 0.6389 1.2087 1.2087 6.1114 6.1114 6.1700 6.1700 7.3428 7.3428 7.4220 7.4220 8.3365 8.3365 8.9777 8.9777 9.2588 9.2588 9.4869 9.4869 9.5012 9.5012 10.1711 10.1711 10.2243 10.2243 10.4633 10.4633 10.5921 10.5921 10.6664 10.6664 10.7165 10.7165 10.9258 10.9258 10.9748 10.9748 11.0112 11.0112 11.2749 11.2749 11.6292 11.6292 11.8321 11.8321 11.8476 11.8476 11.8687 11.8687 12.0260 12.0260 12.0716 12.0716 12.2503 12.2503 12.3065 12.3065 12.4257 12.4257 12.5674 12.5674 12.6503 12.6503 12.6857 12.6857 12.7682 12.7682 13.0213 13.0213 13.1238 13.1238 13.1647 13.1647 15.1581 15.1581 15.7292 15.7292 16.0485 16.0485 16.7799 16.7799 16.9010 16.9010 k = 0.0857 0.1485-0.0000 ( 3945 PWs) bands (ev): -1.0638 -1.0638 0.6548 0.6548 1.2336 1.2336 6.1497 6.1497 6.2000 6.2000 7.2804 7.2804 7.3399 7.3399 8.3324 8.3324 9.0166 9.0166 9.2523 9.2523 9.4818 9.4818 9.4874 9.4874 10.1780 10.1780 10.2304 10.2304 10.4940 10.4940 10.5907 10.5907 10.6548 10.6548 10.7232 10.7232 10.9175 10.9175 10.9656 10.9656 11.0002 11.0002 11.2634 11.2634 11.6489 11.6489 11.8283 11.8283 11.8602 11.8602 11.8736 11.8736 12.0268 12.0268 12.0702 12.0702 12.2366 12.2366 12.3163 12.3163 12.4222 12.4222 12.5675 12.5675 12.6410 12.6410 12.6778 12.6778 12.7545 12.7545 13.0217 13.0217 13.1110 13.1110 13.1210 13.1210 15.2385 15.2385 15.7699 15.7699 16.0623 16.0623 16.8225 16.8225 16.8300 16.8300 k = 0.0762 0.1320-0.0000 ( 3949 PWs) bands (ev): -1.0828 -1.0828 0.6692 0.6692 1.2563 1.2563 6.1915 6.1915 6.2340 6.2340 7.2148 7.2148 7.2585 7.2585 8.3287 8.3287 9.0533 9.0533 9.2464 9.2464 9.4742 9.4742 9.4777 9.4777 10.1854 10.1854 10.2368 10.2368 10.5208 10.5208 10.5876 10.5876 10.6460 10.6460 10.7339 10.7339 10.9094 10.9094 10.9562 10.9562 10.9896 10.9896 11.2501 11.2501 11.6680 11.6680 11.8234 11.8234 11.8601 11.8601 11.8929 11.8929 12.0272 12.0272 12.0686 12.0686 12.2218 12.2218 12.3271 12.3271 12.4180 12.4180 12.5687 12.5687 12.6318 12.6318 12.6716 12.6716 12.7420 12.7420 13.0213 13.0213 13.0610 13.0610 13.1194 13.1194 15.3205 15.3205 15.8074 15.8074 16.0747 16.0747 16.7498 16.7498 16.8650 16.8650 k = 0.0667 0.1155-0.0000 ( 3957 PWs) bands (ev): -1.0996 -1.0996 0.6820 0.6820 1.2766 1.2766 6.2368 6.2368 6.2718 6.2718 7.1468 7.1468 7.1782 7.1782 8.3253 8.3253 9.0871 9.0871 9.2412 9.2412 9.4629 9.4629 9.4735 9.4735 10.1928 10.1928 10.2435 10.2435 10.5415 10.5415 10.5837 10.5837 10.6412 10.6412 10.7481 10.7481 10.9018 10.9018 10.9469 10.9469 10.9796 10.9796 11.2351 11.2351 11.6861 11.6861 11.8188 11.8188 11.8582 11.8582 11.9139 11.9139 12.0276 12.0276 12.0667 12.0667 12.2064 12.2064 12.3382 12.3382 12.4132 12.4132 12.5704 12.5704 12.6237 12.6237 12.6669 12.6669 12.7309 12.7309 13.0077 13.0077 13.0276 13.0276 13.1186 13.1186 15.4038 15.4038 15.8415 15.8415 16.0857 16.0857 16.6678 16.6678 16.9011 16.9011 k = 0.0571 0.0990-0.0000 ( 3955 PWs) bands (ev): -1.1142 -1.1142 0.6933 0.6933 1.2945 1.2945 6.2852 6.2852 6.3135 6.3135 7.0769 7.0769 7.0998 7.0998 8.3223 8.3223 9.1172 9.1172 9.2370 9.2370 9.4529 9.4529 9.4700 9.4700 10.2000 10.2000 10.2501 10.2501 10.5517 10.5517 10.5838 10.5838 10.6398 10.6398 10.7660 10.7660 10.8947 10.8947 10.9376 10.9376 10.9705 10.9705 11.2185 11.2185 11.7030 11.7030 11.8147 11.8147 11.8563 11.8563 11.9345 11.9345 12.0280 12.0280 12.0648 12.0648 12.1909 12.1909 12.3490 12.3490 12.4082 12.4082 12.5713 12.5713 12.6179 12.6179 12.6640 12.6640 12.7211 12.7211 12.9666 12.9666 13.0253 13.0253 13.1185 13.1185 15.4882 15.4882 15.8717 15.8717 16.0956 16.0956 16.5828 16.5828 16.9329 16.9329 k = 0.0476 0.0825-0.0000 ( 3957 PWs) bands (ev): -1.1266 -1.1266 0.7029 0.7029 1.3098 1.3098 6.3364 6.3364 6.3589 6.3589 7.0055 7.0055 7.0241 7.0241 8.3198 8.3198 9.1428 9.1428 9.2342 9.2342 9.4443 9.4443 9.4670 9.4670 10.2068 10.2068 10.2564 10.2564 10.5500 10.5500 10.5906 10.5906 10.6404 10.6404 10.7868 10.7868 10.8883 10.8883 10.9285 10.9285 10.9628 10.9628 11.2007 11.2007 11.7185 11.7185 11.8111 11.8111 11.8545 11.8545 11.9540 11.9540 12.0286 12.0286 12.0631 12.0631 12.1753 12.1753 12.3592 12.3592 12.4033 12.4033 12.5703 12.5703 12.6153 12.6153 12.6628 12.6628 12.7126 12.7126 12.9266 12.9266 13.0255 13.0255 13.1187 13.1187 15.5731 15.5731 15.8980 15.8980 16.1042 16.1042 16.4957 16.4957 16.9601 16.9601 k = 0.0381 0.0660-0.0000 ( 3959 PWs) bands (ev): -1.1367 -1.1367 0.7108 0.7108 1.3225 1.3225 6.3893 6.3893 6.4084 6.4084 6.9330 6.9330 6.9520 6.9520 8.3176 8.3176 9.1631 9.1631 9.2331 9.2331 9.4371 9.4371 9.4646 9.4646 10.2127 10.2127 10.2621 10.2621 10.5439 10.5439 10.5985 10.5985 10.6419 10.6419 10.8091 10.8091 10.8828 10.8828 10.9200 10.9200 10.9566 10.9566 11.1826 11.1826 11.7321 11.7321 11.8079 11.8079 11.8529 11.8529 11.9721 11.9721 12.0298 12.0298 12.0616 12.0616 12.1599 12.1599 12.3685 12.3685 12.3987 12.3987 12.5672 12.5672 12.6159 12.6159 12.6640 12.6640 12.7055 12.7055 12.8906 12.8906 13.0258 13.0258 13.1191 13.1191 15.6581 15.6581 15.9205 15.9205 16.1114 16.1114 16.4075 16.4075 16.9825 16.9825 k = 0.0286 0.0495-0.0000 ( 3967 PWs) bands (ev): -1.1447 -1.1447 0.7170 0.7170 1.3324 1.3324 6.4424 6.4424 6.4622 6.4622 6.8608 6.8608 6.8840 6.8840 8.3159 8.3159 9.1774 9.1774 9.2340 9.2340 9.4315 9.4315 9.4626 9.4626 10.2176 10.2176 10.2670 10.2670 10.5376 10.5376 10.6047 10.6047 10.6434 10.6434 10.8308 10.8308 10.8782 10.8782 10.9125 10.9125 10.9519 10.9519 11.1651 11.1651 11.7435 11.7435 11.8051 11.8051 11.8514 11.8514 11.9876 11.9876 12.0319 12.0319 12.0604 12.0604 12.1451 12.1451 12.3764 12.3764 12.3947 12.3947 12.5630 12.5630 12.6178 12.6178 12.6677 12.6677 12.7000 12.7000 12.8592 12.8592 13.0262 13.0262 13.1195 13.1195 15.7416 15.7416 15.9399 15.9399 16.1170 16.1170 16.3193 16.3193 17.0001 17.0001 k = 0.0190 0.0330-0.0000 ( 3967 PWs) bands (ev): -1.1504 -1.1504 0.7214 0.7214 1.3395 1.3395 6.4932 6.4932 6.5199 6.5199 6.7901 6.7901 6.8221 6.8221 8.3148 8.3148 9.1860 9.1860 9.2364 9.2364 9.4274 9.4274 9.4613 9.4613 10.2213 10.2213 10.2707 10.2707 10.5326 10.5326 10.6091 10.6091 10.6446 10.6446 10.8497 10.8497 10.8751 10.8751 10.9062 10.9062 10.9487 10.9487 11.1501 11.1501 11.7524 11.7524 11.8028 11.8028 11.8501 11.8501 11.9992 11.9992 12.0357 12.0357 12.0595 12.0595 12.1320 12.1320 12.3824 12.3824 12.3917 12.3917 12.5590 12.5590 12.6197 12.6197 12.6735 12.6735 12.6959 12.6959 12.8338 12.8338 13.0265 13.0265 13.1198 13.1198 15.8195 15.8195 15.9596 15.9596 16.1200 16.1200 16.2331 16.2331 17.0127 17.0127 k = 0.0095 0.0165-0.0000 ( 3963 PWs) bands (ev): -1.1538 -1.1538 0.7241 0.7241 1.3438 1.3438 6.5359 6.5359 6.5796 6.5796 6.7229 6.7229 6.7723 6.7723 8.3141 8.3141 9.1902 9.1902 9.2389 9.2389 9.4249 9.4249 9.4605 9.4605 10.2236 10.2236 10.2730 10.2730 10.5295 10.5295 10.6117 10.6117 10.6454 10.6454 10.8627 10.8627 10.8737 10.8737 10.9014 10.9014 10.9471 10.9471 11.1397 11.1397 11.7582 11.7582 11.8012 11.8012 11.8493 11.8493 12.0059 12.0059 12.0402 12.0402 12.0590 12.0590 12.1222 12.1222 12.3858 12.3858 12.3903 12.3903 12.5563 12.5563 12.6209 12.6209 12.6793 12.6793 12.6933 12.6933 12.8166 12.8166 13.0267 13.0267 13.1200 13.1200 15.8784 15.8784 15.9906 15.9906 16.1127 16.1127 16.1593 16.1593 17.0203 17.0203 k = 0.0000 0.0000 0.0000 ( 3963 PWs) bands (ev): -1.1549 -1.1549 0.7250 0.7250 1.3452 1.3452 6.5550 6.5550 6.6230 6.6230 6.6771 6.6771 6.7509 6.7509 8.3138 8.3138 9.1914 9.1914 9.2400 9.2400 9.4241 9.4241 9.4602 9.4602 10.2243 10.2243 10.2738 10.2738 10.5284 10.5284 10.6125 10.6125 10.6457 10.6457 10.8668 10.8668 10.8742 10.8742 10.8993 10.8993 10.9466 10.9466 11.1360 11.1360 11.7602 11.7602 11.8006 11.8006 11.8490 11.8490 12.0080 12.0080 12.0424 12.0424 12.0589 12.0589 12.1184 12.1184 12.3866 12.3866 12.3901 12.3901 12.5554 12.5554 12.6212 12.6212 12.6819 12.6819 12.6923 12.6923 12.8104 12.8104 13.0268 13.0268 13.1201 13.1201 15.8986 15.8986 16.0311 16.0311 16.0748 16.0748 16.1393 16.1393 17.0228 17.0228 k = 0.0000 0.0000 0.0000 ( 3963 PWs) bands (ev): -1.1549 -1.1549 0.7250 0.7250 1.3452 1.3452 6.5550 6.5550 6.6230 6.6230 6.6771 6.6771 6.7509 6.7509 8.3138 8.3138 9.1914 9.1914 9.2400 9.2400 9.4241 9.4241 9.4602 9.4602 10.2243 10.2243 10.2738 10.2738 10.5284 10.5284 10.6125 10.6125 10.6457 10.6457 10.8668 10.8668 10.8742 10.8742 10.8993 10.8993 10.9466 10.9466 11.1360 11.1360 11.7602 11.7602 11.8006 11.8006 11.8490 11.8490 12.0080 12.0080 12.0424 12.0424 12.0589 12.0589 12.1184 12.1184 12.3866 12.3866 12.3901 12.3901 12.5554 12.5554 12.6212 12.6212 12.6819 12.6819 12.6923 12.6923 12.8104 12.8104 13.0268 13.0268 13.1201 13.1201 15.8986 15.8986 16.0311 16.0311 16.0748 16.0748 16.1393 16.1393 17.0228 17.0228 k = 0.0000 0.0000 0.0191 ( 3963 PWs) bands (ev): -1.1537 -1.1537 0.7256 0.7256 1.3458 1.3458 6.5561 6.5561 6.6241 6.6242 6.6782 6.6782 6.7520 6.7521 8.3112 8.3112 9.1911 9.1911 9.2394 9.2401 9.4213 9.4213 9.4589 9.4589 10.2239 10.2239 10.2732 10.2734 10.5270 10.5270 10.6046 10.6157 10.6436 10.6436 10.8634 10.8636 10.8636 10.8682 10.9119 10.9119 10.9427 10.9571 11.1321 11.1321 11.7634 11.7634 11.8004 11.8018 11.8493 11.8493 12.0075 12.0092 12.0427 12.0427 12.0580 12.0580 12.1175 12.1175 12.3865 12.3865 12.3879 12.3922 12.5562 12.5562 12.6216 12.6216 12.6811 12.6819 12.6919 12.6919 12.8104 12.8104 13.0271 13.0271 13.1186 13.1219 15.8847 15.8847 16.0092 16.0092 16.0302 16.0313 16.2164 16.2164 17.0058 17.0058 k = 0.0000 0.0000 0.0381 ( 3969 PWs) bands (ev): -1.1501 -1.1501 0.7276 0.7276 1.3476 1.3476 6.5594 6.5594 6.6275 6.6276 6.6815 6.6815 6.7554 6.7555 8.3032 8.3032 9.1903 9.1903 9.2382 9.2397 9.4127 9.4127 9.4550 9.4550 10.2224 10.2224 10.2715 10.2719 10.5228 10.5228 10.5925 10.6142 10.6373 10.6373 10.8480 10.8480 10.8598 10.8663 10.9332 10.9332 10.9467 10.9719 11.1212 11.1212 11.7723 11.7723 11.8012 11.8040 11.8502 11.8502 12.0077 12.0111 12.0437 12.0437 12.0554 12.0554 12.1151 12.1151 12.3854 12.3859 12.3859 12.3940 12.5583 12.5583 12.6227 12.6227 12.6796 12.6811 12.6909 12.6909 12.8105 12.8105 13.0278 13.0278 13.1175 13.1241 15.8245 15.8245 15.9589 15.9589 16.0284 16.0306 16.3197 16.3197 16.9567 16.9567 k = 0.0000 0.0000 0.0572 ( 3969 PWs) bands (ev): -1.1440 -1.1440 0.7309 0.7309 1.3506 1.3506 6.5651 6.5651 6.6331 6.6333 6.6871 6.6871 6.7610 6.7611 8.2900 8.2900 9.1888 9.1888 9.2365 9.2388 9.3983 9.3983 9.4485 9.4485 10.2202 10.2202 10.2689 10.2694 10.5158 10.5158 10.5766 10.6080 10.6270 10.6270 10.8342 10.8342 10.8574 10.8621 10.9565 10.9565 10.9574 10.9891 11.1045 11.1045 11.7864 11.7864 11.8031 11.8072 11.8517 11.8517 12.0085 12.0137 12.0450 12.0450 12.0510 12.0510 12.1118 12.1118 12.3828 12.3852 12.3852 12.3958 12.5613 12.5613 12.6242 12.6242 12.6773 12.6795 12.6896 12.6896 12.8111 12.8111 13.0290 13.0290 13.1167 13.1267 15.7256 15.7256 15.9423 15.9423 16.0257 16.0291 16.4238 16.4238 16.8808 16.8808 k = 0.0000 0.0000 0.0762 ( 3963 PWs) bands (ev): -1.1355 -1.1355 0.7355 0.7355 1.3548 1.3548 6.5729 6.5729 6.6411 6.6412 6.6949 6.6949 6.7688 6.7690 8.2716 8.2716 9.1866 9.1866 9.2344 9.2373 9.3779 9.3779 9.4395 9.4395 10.2173 10.2173 10.2654 10.2661 10.5062 10.5062 10.5578 10.5978 10.6131 10.6131 10.8230 10.8230 10.8563 10.8572 10.9727 10.9802 10.9802 11.0076 11.0839 11.0839 11.8040 11.8040 11.8062 11.8115 11.8540 11.8540 12.0100 12.0170 12.0420 12.0420 12.0490 12.0490 12.1080 12.1080 12.3801 12.3841 12.3841 12.3974 12.5644 12.5644 12.6259 12.6259 12.6743 12.6774 12.6890 12.6890 12.8123 12.8123 13.0308 13.0308 13.1163 13.1297 15.6155 15.6155 15.9344 15.9344 16.0222 16.0267 16.5269 16.5269 16.7846 16.7846 k = 0.0000 0.0000 0.0953 ( 3957 PWs) bands (ev): -1.1246 -1.1246 0.7414 0.7414 1.3602 1.3602 6.5830 6.5830 6.6512 6.6514 6.7049 6.7049 6.7789 6.7791 8.2482 8.2482 9.1838 9.1838 9.2317 9.2354 9.3511 9.3511 9.4279 9.4279 10.2135 10.2135 10.2611 10.2619 10.4940 10.4940 10.5366 10.5841 10.5960 10.5960 10.8143 10.8143 10.8530 10.8567 10.9906 11.0034 11.0034 11.0266 11.0618 11.0618 11.8103 11.8167 11.8235 11.8235 11.8570 11.8570 12.0121 12.0209 12.0325 12.0325 12.0515 12.0515 12.1047 12.1047 12.3771 12.3828 12.3828 12.3988 12.5667 12.5667 12.6266 12.6266 12.6706 12.6745 12.6904 12.6904 12.8147 12.8147 13.0331 13.0331 13.1163 13.1330 15.5024 15.5024 15.9283 15.9283 16.0176 16.0232 16.6284 16.6284 16.6740 16.6740 k = 0.0000 0.0000 0.1143 ( 3957 PWs) bands (ev): -1.1114 -1.1114 0.7486 0.7486 1.3667 1.3667 6.5952 6.5952 6.6636 6.6638 6.7171 6.7171 6.7911 6.7915 8.2195 8.2195 9.1801 9.1801 9.2284 9.2329 9.3176 9.3176 9.4137 9.4137 10.2091 10.2091 10.2560 10.2569 10.4795 10.4795 10.5136 10.5675 10.5763 10.5763 10.8077 10.8077 10.8497 10.8582 11.0100 11.0207 11.0207 11.0447 11.0447 11.0456 11.8157 11.8230 11.8435 11.8435 11.8612 11.8612 12.0146 12.0203 12.0203 12.0253 12.0546 12.0546 12.1021 12.1021 12.3741 12.3813 12.3813 12.4002 12.5677 12.5677 12.6249 12.6249 12.6663 12.6710 12.6954 12.6954 12.8183 12.8183 13.0359 13.0359 13.1166 13.1366 15.3889 15.3889 15.9220 15.9220 16.0120 16.0186 16.5540 16.5540 16.7283 16.7283 k = 0.0000 0.0000 0.1334 ( 3956 PWs) bands (ev): -1.0957 -1.0957 0.7569 0.7569 1.3743 1.3743 6.6097 6.6097 6.6781 6.6784 6.7314 6.7314 6.8056 6.8060 8.1860 8.1860 9.1750 9.1750 9.2246 9.2298 9.2776 9.2776 9.3970 9.3970 10.2042 10.2042 10.2504 10.2513 10.4631 10.4631 10.4894 10.5487 10.5548 10.5548 10.8028 10.8028 10.8473 10.8607 11.0099 11.0099 11.0300 11.0562 11.0562 11.0641 11.8224 11.8303 11.8604 11.8604 11.8685 11.8685 12.0066 12.0066 12.0175 12.0300 12.0580 12.0580 12.1004 12.1004 12.3709 12.3796 12.3796 12.4015 12.5667 12.5667 12.6203 12.6203 12.6613 12.6669 12.7047 12.7047 12.8236 12.8236 13.0392 13.0392 13.1173 13.1407 15.2765 15.2765 15.9149 15.9149 16.0051 16.0127 16.4282 16.4282 16.8266 16.8266 k = 0.0000 0.0000 0.1524 ( 3956 PWs) bands (ev): -1.0777 -1.0777 0.7665 0.7665 1.3831 1.3831 6.6262 6.6262 6.6949 6.6952 6.7479 6.7479 6.8222 6.8227 8.1475 8.1475 9.1669 9.1669 9.2201 9.2262 9.2326 9.2326 9.3778 9.3778 10.1989 10.1989 10.2444 10.2453 10.4453 10.4453 10.4644 10.5282 10.5321 10.5321 10.7990 10.7990 10.8458 10.8639 10.9906 10.9906 11.0502 11.0771 11.0771 11.0818 11.8303 11.8387 11.8686 11.8686 11.8830 11.8830 11.9928 11.9928 12.0206 12.0350 12.0613 12.0613 12.0995 12.0995 12.3676 12.3779 12.3779 12.4027 12.5633 12.5633 12.6137 12.6137 12.6557 12.6622 12.7179 12.7179 12.8306 12.8306 13.0430 13.0430 13.1184 13.1451 15.1660 15.1660 15.9066 15.9066 15.9969 16.0053 16.2994 16.2994 16.9232 16.9232 k = 0.0000 0.0000 0.1715 ( 3956 PWs) bands (ev): -1.0573 -1.0573 0.7771 0.7771 1.3930 1.3930 6.6449 6.6449 6.7137 6.7140 6.7664 6.7664 6.8409 6.8415 8.1043 8.1043 9.1458 9.1458 9.1922 9.1922 9.2151 9.2220 9.3561 9.3561 10.1934 10.1934 10.2380 10.2390 10.4267 10.4267 10.4389 10.5067 10.5089 10.5089 10.7961 10.7961 10.8449 10.8676 10.9728 10.9728 11.0702 11.0979 11.0979 11.0985 11.8397 11.8482 11.8751 11.8751 11.8952 11.8952 11.9814 11.9814 12.0238 12.0401 12.0644 12.0644 12.0994 12.0994 12.3643 12.3761 12.3761 12.4039 12.5568 12.5568 12.6065 12.6065 12.6496 12.6570 12.7340 12.7340 12.8393 12.8393 13.0474 13.0474 13.1198 13.1499 15.0583 15.0583 15.8970 15.8970 15.9870 15.9963 16.1695 16.1695 17.0179 17.0179 k = 0.0000 0.0000 0.1905 ( 3956 PWs) bands (ev): -1.0347 -1.0347 0.7889 0.7889 1.4039 1.4039 6.6656 6.6656 6.7347 6.7350 6.7871 6.7871 6.8618 6.8624 8.0566 8.0566 9.0947 9.0947 9.1737 9.1737 9.2095 9.2172 9.3320 9.3320 10.1876 10.1876 10.2315 10.2324 10.4077 10.4077 10.4132 10.4846 10.4855 10.4855 10.7937 10.7937 10.8443 10.8717 10.9576 10.9576 11.0895 11.1140 11.1177 11.1177 11.8504 11.8587 11.8812 11.8812 11.8998 11.8998 11.9763 11.9763 12.0270 12.0452 12.0669 12.0669 12.1001 12.1001 12.3611 12.3745 12.3745 12.4051 12.5468 12.5468 12.5999 12.5999 12.6430 12.6513 12.7523 12.7523 12.8498 12.8498 13.0524 13.0524 13.1217 13.1551 14.9540 14.9540 15.8857 15.8857 15.9754 15.9854 16.0400 16.0400 17.1105 17.1105 k = 0.0000 0.0000 0.2096 ( 3944 PWs) bands (ev): -1.0097 -1.0097 0.8016 0.8016 1.4159 1.4159 6.6883 6.6883 6.7576 6.7580 6.8098 6.8098 6.8846 6.8853 8.0045 8.0045 9.0266 9.0266 9.1642 9.1642 9.2032 9.2117 9.3055 9.3055 10.1818 10.1818 10.2249 10.2258 10.3875 10.3887 10.3887 10.4621 10.4627 10.4627 10.7915 10.7915 10.8440 10.8760 10.9450 10.9451 11.1081 11.1281 11.1360 11.1360 11.8625 11.8704 11.8825 11.8825 11.8999 11.8999 11.9795 11.9795 12.0301 12.0502 12.0688 12.0688 12.1015 12.1015 12.3580 12.3730 12.3730 12.4065 12.5335 12.5335 12.5944 12.5944 12.6360 12.6453 12.7721 12.7721 12.8621 12.8621 13.0579 13.0579 13.1240 13.1608 14.8537 14.8537 15.8726 15.8726 15.9121 15.9121 15.9618 15.9724 17.2008 17.2008 k = 0.0000 0.0000 0.2286 ( 3944 PWs) bands (ev): -0.9824 -0.9824 0.8153 0.8153 1.4288 1.4288 6.7129 6.7129 6.7826 6.7830 6.8344 6.8344 6.9096 6.9103 7.9481 7.9481 8.9497 8.9497 9.1562 9.1562 9.1963 9.2057 9.2767 9.2767 10.1761 10.1761 10.2182 10.2193 10.3620 10.3700 10.3700 10.4396 10.4408 10.4408 10.7895 10.7895 10.8437 10.8803 10.9351 10.9351 11.1258 11.1408 11.1528 11.1528 11.8710 11.8710 11.8759 11.8828 11.9061 11.9061 11.9875 11.9875 12.0329 12.0547 12.0700 12.0700 12.1032 12.1032 12.3550 12.3716 12.3716 12.4078 12.5175 12.5175 12.5898 12.5898 12.6287 12.6389 12.7929 12.7929 12.8758 12.8758 13.0640 13.0640 13.1267 13.1668 14.7577 14.7577 15.7862 15.7862 15.8574 15.8574 15.9459 15.9571 17.2886 17.2886 k = 0.0000 0.0000 0.2477 ( 3944 PWs) bands (ev): -0.9529 -0.9529 0.8299 0.8299 1.4428 1.4428 6.7395 6.7395 6.8095 6.8098 6.8610 6.8610 6.9364 6.9373 7.8876 7.8876 8.8659 8.8659 9.1481 9.1481 9.1887 9.1989 9.2458 9.2458 10.1704 10.1704 10.2117 10.2129 10.3369 10.3516 10.3516 10.4174 10.4206 10.4206 10.7875 10.7875 10.8433 10.8844 10.9274 10.9274 11.1425 11.1520 11.1678 11.1678 11.8529 11.8529 11.8905 11.8959 11.9162 11.9162 11.9967 11.9967 12.0355 12.0588 12.0704 12.0704 12.1050 12.1050 12.3522 12.3704 12.3704 12.4092 12.4997 12.4997 12.5858 12.5858 12.6210 12.6322 12.8146 12.8146 12.8911 12.8911 13.0706 13.0706 13.1298 13.1731 14.6665 14.6665 15.6633 15.6633 15.8399 15.8399 15.9275 15.9392 17.3739 17.3739 k = 0.0000 0.0000 0.2667 ( 3968 PWs) bands (ev): -0.9212 -0.9212 0.8452 0.8452 1.4576 1.4576 6.7678 6.7678 6.8382 6.8385 6.8895 6.8895 6.9652 6.9661 7.8232 7.8232 8.7763 8.7763 9.1396 9.1396 9.1804 9.1914 9.2127 9.2127 10.1648 10.1648 10.2051 10.2067 10.3121 10.3332 10.3332 10.3955 10.4022 10.4022 10.7855 10.7855 10.8426 10.8881 10.9216 10.9216 11.1580 11.1617 11.1810 11.1810 11.8322 11.8322 11.9061 11.9095 11.9278 11.9278 12.0053 12.0053 12.0376 12.0620 12.0703 12.0703 12.1067 12.1067 12.3496 12.3692 12.3692 12.4107 12.4806 12.4806 12.5819 12.5819 12.6130 12.6251 12.8367 12.8367 12.9074 12.9074 13.0776 13.0776 13.1333 13.1797 14.5805 14.5805 15.5435 15.5435 15.8198 15.8198 15.9064 15.9184 17.4563 17.4563 k = 0.0000 0.0000 0.2858 ( 3956 PWs) bands (ev): -0.8873 -0.8873 0.8612 0.8612 1.4733 1.4733 6.7980 6.7980 6.8687 6.8691 6.9197 6.9197 6.9959 6.9969 7.7554 7.7554 8.6822 8.6822 9.1305 9.1305 9.1715 9.1777 9.1777 9.1833 10.1595 10.1595 10.1988 10.2011 10.2882 10.3150 10.3150 10.3746 10.3863 10.3863 10.7836 10.7836 10.8417 10.8916 10.9177 10.9177 11.1702 11.1725 11.1926 11.1926 11.8106 11.8106 11.9229 11.9234 11.9409 11.9409 12.0123 12.0123 12.0398 12.0645 12.0699 12.0699 12.1081 12.1081 12.3475 12.3679 12.3679 12.4124 12.4613 12.4613 12.5783 12.5783 12.6050 12.6180 12.8594 12.8594 12.9250 12.9250 13.0853 13.0853 13.1372 13.1868 14.5000 14.5000 15.4274 15.4274 15.7971 15.7971 15.8824 15.8946 17.5360 17.5360 k = 0.0000 0.0000 0.3048 ( 3968 PWs) bands (ev): -0.8512 -0.8512 0.8778 0.8778 1.4898 1.4898 6.8297 6.8297 6.9009 6.9012 6.9517 6.9517 7.0283 7.0294 7.6842 7.6842 8.5841 8.5841 9.1207 9.1207 9.1407 9.1407 9.1619 9.1745 10.1544 10.1544 10.1926 10.1958 10.2650 10.2968 10.2968 10.3545 10.3728 10.3728 10.7815 10.7815 10.8402 10.8944 10.9151 10.9151 11.1772 11.1859 11.2023 11.2023 11.7883 11.7883 11.9367 11.9402 11.9547 11.9547 12.0171 12.0171 12.0419 12.0659 12.0691 12.0691 12.1087 12.1087 12.3459 12.3659 12.3659 12.4141 12.4425 12.4425 12.5747 12.5747 12.5968 12.6107 12.8823 12.8823 12.9435 12.9435 13.0934 13.0934 13.1415 13.1941 14.4249 14.4249 15.3150 15.3150 15.7715 15.7715 15.8552 15.8675 17.6129 17.6129 k = 0.0000 0.0000 0.3239 ( 3974 PWs) bands (ev): -0.8131 -0.8131 0.8949 0.8949 1.5070 1.5070 6.8631 6.8631 6.9348 6.9350 6.9852 6.9852 7.0625 7.0637 7.6100 7.6100 8.4830 8.4830 9.1008 9.1008 9.1116 9.1116 9.1516 9.1650 10.1493 10.1493 10.1863 10.1908 10.2428 10.2789 10.2789 10.3356 10.3616 10.3616 10.7794 10.7794 10.8382 10.8965 10.9138 10.9138 11.1832 11.1981 11.2103 11.2103 11.7659 11.7659 11.9489 11.9578 11.9691 11.9691 12.0197 12.0197 12.0448 12.0666 12.0682 12.0682 12.1083 12.1083 12.3448 12.3623 12.3623 12.4160 12.4259 12.4259 12.5711 12.5711 12.5885 12.6033 12.9054 12.9054 12.9628 12.9628 13.1020 13.1020 13.1463 13.2018 14.3555 14.3555 15.2066 15.2066 15.7429 15.7429 15.8247 15.8369 17.6872 17.6872 k = 0.0000 0.0000 0.3430 ( 3968 PWs) bands (ev): -0.7729 -0.7729 0.9122 0.9122 1.5249 1.5249 6.8978 6.8978 6.9701 6.9703 7.0202 7.0202 7.0983 7.0996 7.5334 7.5334 8.3797 8.3797 9.0608 9.0608 9.1002 9.1002 9.1407 9.1548 10.1442 10.1442 10.1800 10.1860 10.2220 10.2618 10.2618 10.3182 10.3527 10.3527 10.7774 10.7774 10.8359 10.8980 10.9135 10.9135 11.1884 11.2095 11.2169 11.2169 11.7436 11.7436 11.9586 11.9751 11.9832 11.9832 12.0201 12.0201 12.0495 12.0668 12.0676 12.0676 12.1066 12.1066 12.3443 12.3556 12.3556 12.4138 12.4138 12.4181 12.5675 12.5675 12.5802 12.5958 12.9286 12.9286 12.9828 12.9828 13.1111 13.1111 13.1514 13.2097 14.2919 14.2919 15.1023 15.1023 15.7111 15.7111 15.7908 15.8028 17.7590 17.7590 k = 0.0000 0.0000 0.3620 ( 3956 PWs) bands (ev): -0.7308 -0.7308 0.9298 0.9298 1.5435 1.5435 6.9340 6.9340 7.0069 7.0071 7.0563 7.0563 7.1357 7.1371 7.4548 7.4548 8.2749 8.2749 9.0188 9.0188 9.0887 9.0887 9.1292 9.1440 10.1389 10.1389 10.1735 10.1803 10.2037 10.2458 10.2458 10.3026 10.3455 10.3455 10.7752 10.7752 10.8329 10.8986 10.9142 10.9142 11.1929 11.2200 11.2221 11.2221 11.7215 11.7215 11.9646 11.9909 11.9947 11.9947 12.0199 12.0199 12.0568 12.0674 12.0675 12.0675 12.1028 12.1028 12.3444 12.3453 12.3453 12.4070 12.4070 12.4201 12.5638 12.5638 12.5720 12.5883 12.9518 12.9518 13.0032 13.0032 13.1207 13.1207 13.1570 13.2179 14.2339 14.2339 15.0022 15.0022 15.6762 15.6762 15.7534 15.7650 17.8284 17.8284 k = 0.0000 0.0000 0.3811 ( 3968 PWs) bands (ev): -0.6867 -0.6867 0.9474 0.9474 1.5626 1.5626 6.9713 6.9713 7.0449 7.0450 7.0927 7.0927 7.1746 7.1761 7.3752 7.3752 8.1691 8.1691 8.9755 8.9755 9.0764 9.0764 9.1170 9.1323 10.1331 10.1331 10.1665 10.1705 10.1912 10.2315 10.2315 10.2888 10.3398 10.3398 10.7729 10.7729 10.8293 10.8981 10.9155 10.9155 11.1967 11.2260 11.2260 11.2297 11.6998 11.6998 11.9661 11.9976 11.9976 12.0028 12.0239 12.0239 12.0672 12.0686 12.0686 12.0700 12.0966 12.0966 12.3332 12.3332 12.3449 12.4047 12.4047 12.4221 12.5601 12.5601 12.5638 12.5807 12.9749 12.9749 13.0238 13.0238 13.1303 13.1303 13.1627 13.2260 14.1813 14.1813 14.9063 14.9063 15.6381 15.6381 15.7124 15.7235 17.8930 17.8930 k = 0.0000 0.0000 0.4001 ( 3968 PWs) bands (ev): -0.6408 -0.6408 0.9648 0.9648 1.5822 1.5822 7.0096 7.0096 7.0841 7.0841 7.1272 7.1272 7.2149 7.2165 7.2977 7.2977 8.0630 8.0630 8.9310 8.9310 9.0636 9.0636 9.1042 9.1200 10.1264 10.1264 10.1556 10.1591 10.1857 10.2195 10.2195 10.2774 10.3353 10.3353 10.7704 10.7704 10.8251 10.8966 10.9176 10.9176 11.2003 11.2289 11.2289 11.2386 11.6784 11.6784 11.9634 11.9908 11.9908 12.0084 12.0317 12.0317 12.0703 12.0703 12.0774 12.0805 12.0895 12.0895 12.3217 12.3217 12.3461 12.4052 12.4052 12.4241 12.5557 12.5565 12.5565 12.5732 12.9978 12.9978 13.0446 13.0446 13.1404 13.1404 13.1688 13.2343 14.1342 14.1342 14.8145 14.8145 15.5969 15.5969 15.6681 15.6785 17.7461 17.7464 k = 0.0000 0.0000 0.4192 ( 3980 PWs) bands (ev): -0.5930 -0.5930 0.9820 0.9820 1.6022 1.6022 7.0485 7.0485 7.1242 7.1243 7.1443 7.1443 7.2379 7.2379 7.2565 7.2582 7.9571 7.9571 8.8856 8.8856 9.0501 9.0501 9.0908 9.1071 10.1186 10.1186 10.1394 10.1509 10.1834 10.2101 10.2101 10.2682 10.3317 10.3317 10.7676 10.7676 10.8202 10.8938 10.9203 10.9203 11.2036 11.2308 11.2308 11.2468 11.6575 11.6575 11.9569 11.9787 11.9787 12.0069 12.0371 12.0371 12.0652 12.0652 12.0899 12.0902 12.0902 12.0956 12.3125 12.3125 12.3477 12.4072 12.4072 12.4260 12.5476 12.5526 12.5526 12.5656 13.0204 13.0204 13.0655 13.0655 13.1506 13.1506 13.1750 13.2426 14.0921 14.0921 14.7268 14.7268 15.5527 15.5527 15.6205 15.6301 17.5904 17.5905 k = 0.0000 0.0000 0.4382 ( 3956 PWs) bands (ev): -0.5436 -0.5436 0.9986 0.9986 1.6225 1.6225 7.0810 7.0810 7.1058 7.1058 7.1652 7.1654 7.2417 7.2417 7.2994 7.3011 7.8518 7.8518 8.8395 8.8395 9.0361 9.0361 9.0769 9.0935 10.1098 10.1098 10.1237 10.1423 10.1826 10.2035 10.2035 10.2614 10.3289 10.3289 10.7645 10.7645 10.8149 10.8901 10.9239 10.9239 11.2071 11.2321 11.2321 11.2546 11.6372 11.6372 11.9475 11.9628 11.9628 11.9999 12.0368 12.0368 12.0527 12.0527 12.1013 12.1013 12.1060 12.1121 12.3062 12.3062 12.3499 12.4104 12.4104 12.4280 12.5401 12.5491 12.5491 12.5584 13.0430 13.0430 13.0864 13.0864 13.1613 13.1613 13.1817 13.2510 14.0550 14.0550 14.6433 14.6433 15.5059 15.5059 15.5700 15.5787 17.4392 17.4393 k = 0.0000 0.0000 0.4573 ( 3950 PWs) bands (ev): -0.4925 -0.4925 1.0146 1.0146 1.6431 1.6431 7.0181 7.0181 7.1323 7.1323 7.2068 7.2071 7.2774 7.2774 7.3433 7.3451 7.7474 7.7474 8.7928 8.7928 9.0215 9.0215 9.0624 9.0793 10.1001 10.1001 10.1091 10.1333 10.1829 10.1995 10.1995 10.2569 10.3267 10.3267 10.7611 10.7611 10.8091 10.8852 10.9282 10.9282 11.2107 11.2329 11.2329 11.2619 11.6175 11.6175 11.9354 11.9435 11.9435 11.9890 12.0235 12.0235 12.0463 12.0463 12.1159 12.1159 12.1236 12.1288 12.3030 12.3030 12.3524 12.4143 12.4143 12.4298 12.5328 12.5456 12.5456 12.5512 13.0650 13.0650 13.1068 13.1068 13.1719 13.1719 13.1883 13.2590 14.0223 14.0223 14.5638 14.5638 15.4568 15.4568 15.5169 15.5245 17.2929 17.2930 k = 0.0000 0.0000 0.4763 ( 3950 PWs) bands (ev): -0.4399 -0.4399 1.0297 1.0297 1.6638 1.6638 6.9365 6.9365 7.1730 7.1730 7.2489 7.2494 7.3193 7.3193 7.3882 7.3901 7.6442 7.6442 8.7459 8.7459 9.0063 9.0063 9.0473 9.0644 10.0900 10.0900 10.0956 10.1241 10.1839 10.1977 10.1977 10.2542 10.3249 10.3249 10.7571 10.7571 10.8027 10.8791 10.9332 10.9332 11.2145 11.2333 11.2333 11.2688 11.5984 11.5984 11.9209 11.9209 11.9211 11.9752 12.0018 12.0018 12.0446 12.0446 12.1318 12.1318 12.1415 12.1455 12.3022 12.3022 12.3552 12.4185 12.4185 12.4314 12.5258 12.5422 12.5422 12.5443 13.0864 13.0864 13.1268 13.1268 13.1827 13.1827 13.1948 13.2667 13.9938 13.9938 14.4882 14.4882 15.4057 15.4057 15.4617 15.4681 17.1516 17.1517 k = 0.0000 0.0000 0.4954 ( 3956 PWs) bands (ev): -0.3858 -0.3858 1.0436 1.0436 1.6845 1.6845 6.8540 6.8540 7.2145 7.2145 7.2914 7.2919 7.3634 7.3634 7.4339 7.4359 7.5426 7.5426 8.6989 8.6989 8.9905 8.9905 9.0318 9.0490 10.0798 10.0798 10.0833 10.1149 10.1858 10.1976 10.1976 10.2531 10.3235 10.3235 10.7525 10.7525 10.7957 10.8718 10.9390 10.9390 11.2186 11.2333 11.2333 11.2752 11.5801 11.5801 11.8951 11.8951 11.9048 11.9590 11.9776 11.9776 12.0434 12.0434 12.1478 12.1478 12.1592 12.1617 12.3034 12.3034 12.3582 12.4231 12.4231 12.4328 12.5191 12.5375 12.5389 12.5389 13.1071 13.1071 13.1462 13.1462 13.1936 13.1936 13.2013 13.2740 13.9691 13.9691 14.4164 14.4164 15.3531 15.3531 15.4048 15.4100 17.0155 17.0156 k = 0.0000 0.0000 0.5144 ( 3944 PWs) bands (ev): -0.3304 -0.3304 1.0562 1.0562 1.7052 1.7052 6.7724 6.7724 7.2561 7.2561 7.3340 7.3346 7.4073 7.4073 7.4443 7.4443 7.4804 7.4824 8.6522 8.6522 8.9741 8.9741 9.0158 9.0329 10.0700 10.0700 10.0726 10.1062 10.1883 10.1991 10.1991 10.2535 10.3224 10.3224 10.7475 10.7475 10.7886 10.8637 10.9458 10.9458 11.2232 11.2334 11.2334 11.2815 11.5625 11.5625 11.8667 11.8667 11.8867 11.9409 11.9523 11.9523 12.0421 12.0421 12.1636 12.1636 12.1762 12.1772 12.3062 12.3062 12.3615 12.4280 12.4280 12.4342 12.5131 12.5312 12.5359 12.5359 13.1269 13.1269 13.1650 13.1650 13.2049 13.2049 13.2077 13.2809 13.9480 13.9480 14.3483 14.3483 15.2996 15.2996 15.3469 15.3508 16.8848 16.8849 k = 0.0000 0.0000 0.5335 ( 3950 PWs) bands (ev): -0.2737 -0.2737 1.0672 1.0672 1.7257 1.7257 6.6924 6.6924 7.2977 7.2977 7.3431 7.3431 7.3764 7.3772 7.4568 7.4568 7.5275 7.5295 8.6059 8.6059 8.9573 8.9573 8.9992 9.0163 10.0608 10.0608 10.0631 10.0980 10.1914 10.2017 10.2017 10.2549 10.3214 10.3214 10.7418 10.7418 10.7812 10.8546 10.9535 10.9535 11.2280 11.2332 11.2332 11.2873 11.5456 11.5456 11.8358 11.8358 11.8669 11.9210 11.9262 11.9262 12.0406 12.0406 12.1785 12.1785 12.1916 12.1922 12.3100 12.3100 12.3648 12.4330 12.4330 12.4352 12.5073 12.5251 12.5329 12.5329 13.1455 13.1455 13.1830 13.1830 13.2138 13.2166 13.2166 13.2871 13.9299 13.9299 14.2839 14.2839 15.2456 15.2456 15.2884 15.2910 16.7591 16.7598 k = 0.0000 0.0000 0.5525 ( 3950 PWs) bands (ev): -0.2159 -0.2159 1.0764 1.0764 1.7460 1.7460 6.6150 6.6150 7.2473 7.2473 7.3389 7.3389 7.4186 7.4194 7.5035 7.5035 7.5749 7.5769 8.5603 8.5603 8.9399 8.9399 8.9823 8.9991 10.0525 10.0525 10.0551 10.0906 10.1953 10.2053 10.2053 10.2573 10.3207 10.3207 10.7358 10.7358 10.7737 10.8449 10.9621 10.9621 11.2332 11.2332 11.2332 11.2929 11.5295 11.5295 11.8033 11.8033 11.8457 11.8995 11.8997 11.8997 12.0390 12.0390 12.1924 12.1924 12.2048 12.2070 12.3147 12.3147 12.3683 12.4362 12.4382 12.4382 12.5022 12.5194 12.5301 12.5301 13.1622 13.1622 13.2003 13.2003 13.2197 13.2291 13.2291 13.2927 13.9147 13.9147 14.2228 14.2228 15.1917 15.1917 15.2301 15.2313 16.6379 16.6405 k = 0.0000 0.0000 0.5716 ( 3950 PWs) bands (ev): -0.1572 -0.1572 1.0835 1.0835 1.7659 1.7659 6.5406 6.5406 7.1536 7.1536 7.3795 7.3795 7.4602 7.4611 7.5509 7.5509 7.6226 7.6246 8.5156 8.5156 8.9220 8.9220 8.9649 8.9814 10.0451 10.0451 10.0486 10.0840 10.1996 10.2097 10.2097 10.2603 10.3200 10.3200 10.7292 10.7292 10.7661 10.8345 10.9716 10.9716 11.2331 11.2331 11.2387 11.2982 11.5142 11.5142 11.7697 11.7697 11.8233 11.8727 11.8727 11.8766 12.0374 12.0374 12.2050 12.2050 12.2166 12.2204 12.3198 12.3198 12.3719 12.4371 12.4434 12.4434 12.4976 12.5141 12.5276 12.5276 13.1768 13.1768 13.2175 13.2175 13.2252 13.2424 13.2424 13.2974 13.9020 13.9020 14.1652 14.1652 15.1386 15.1386 15.1724 15.1725 16.5229 16.5258 k = 0.0000 0.0000 0.5906 ( 3962 PWs) bands (ev): -0.0976 -0.0976 1.0882 1.0882 1.7853 1.7853 6.4699 6.4699 7.0622 7.0622 7.4194 7.4194 7.5010 7.5020 7.5985 7.5985 7.6703 7.6724 8.4722 8.4722 8.9036 8.9036 8.9472 8.9632 10.0387 10.0387 10.0436 10.0783 10.2042 10.2145 10.2145 10.2637 10.3194 10.3194 10.7222 10.7222 10.7585 10.8237 10.9821 10.9821 11.2329 11.2329 11.2443 11.3030 11.4995 11.4995 11.7354 11.7354 11.7996 11.8453 11.8453 11.8525 12.0358 12.0358 12.2163 12.2163 12.2268 12.2321 12.3250 12.3250 12.3756 12.4378 12.4486 12.4486 12.4935 12.5093 12.5253 12.5253 13.1887 13.1887 13.2303 13.2349 13.2349 13.2562 13.2562 13.3014 13.8913 13.8913 14.1108 14.1108 15.0867 15.0867 15.1149 15.1161 16.4140 16.4172 k = 0.0000 0.0000 0.6097 ( 3974 PWs) bands (ev): -0.0373 -0.0373 1.0904 1.0904 1.8042 1.8042 6.4034 6.4034 6.9735 6.9735 7.4581 7.4581 7.5407 7.5419 7.6460 7.6460 7.7179 7.7199 8.4303 8.4303 8.8849 8.8849 8.9290 8.9445 10.0335 10.0335 10.0400 10.0737 10.2093 10.2197 10.2197 10.2675 10.3187 10.3187 10.7150 10.7150 10.7511 10.8126 10.9935 10.9935 11.2327 11.2327 11.2499 11.3073 11.4857 11.4857 11.7010 11.7010 11.7753 11.8176 11.8176 11.8274 12.0341 12.0341 12.2260 12.2260 12.2353 12.2421 12.3306 12.3306 12.3794 12.4386 12.4539 12.4539 12.4900 12.5051 12.5233 12.5233 13.1980 13.1980 13.2350 13.2528 13.2528 13.2702 13.2702 13.3044 13.8824 13.8824 14.0597 14.0597 15.0365 15.0365 15.0592 15.0616 16.3115 16.3150 k = 0.0000 0.0000 0.6288 ( 3974 PWs) bands (ev): 0.0235 0.0235 1.0898 1.0898 1.8223 1.8223 6.3416 6.3416 6.8877 6.8877 7.4955 7.4955 7.5792 7.5804 7.6932 7.6932 7.7651 7.7671 8.3901 8.3901 8.8657 8.8657 8.9106 8.9254 10.0295 10.0295 10.0379 10.0701 10.2147 10.2252 10.2252 10.2714 10.3182 10.3182 10.7077 10.7077 10.7441 10.8015 11.0059 11.0059 11.2325 11.2325 11.2558 11.3113 11.4725 11.4725 11.6669 11.6669 11.7506 11.7898 11.7898 11.8017 12.0325 12.0325 12.2342 12.2342 12.2421 12.2504 12.3365 12.3365 12.3832 12.4394 12.4592 12.4592 12.4870 12.5014 12.5216 12.5216 13.2050 13.2050 13.2393 13.2708 13.2708 13.2844 13.2844 13.3064 13.8749 13.8749 14.0117 14.0117 14.9886 14.9886 15.0061 15.0095 16.2156 16.2193 k = 0.0000 0.0000 0.6478 ( 3956 PWs) bands (ev): 0.0847 0.0847 1.0862 1.0862 1.8397 1.8397 6.2848 6.2848 6.8050 6.8050 7.5314 7.5314 7.6161 7.6173 7.7399 7.7399 7.8118 7.8137 8.3519 8.3519 8.8463 8.8463 8.8920 8.9060 10.0267 10.0267 10.0372 10.0676 10.2204 10.2309 10.2309 10.2753 10.3177 10.3177 10.7005 10.7005 10.7376 10.7906 11.0192 11.0192 11.2323 11.2323 11.2616 11.3148 11.4601 11.4601 11.6334 11.6334 11.7258 11.7621 11.7621 11.7755 12.0310 12.0310 12.2409 12.2409 12.2474 12.2569 12.3424 12.3424 12.3872 12.4404 12.4645 12.4645 12.4847 12.4984 12.5202 12.5202 13.2103 13.2103 13.2432 13.2885 13.2885 13.2991 13.2991 13.3076 13.8682 13.8682 13.9674 13.9674 14.9435 14.9435 14.9560 14.9602 16.1263 16.1302 k = 0.0000 0.0000 0.6669 ( 3944 PWs) bands (ev): 0.1460 0.1460 1.0794 1.0794 1.8561 1.8561 6.2335 6.2335 6.7256 6.7256 7.5654 7.5654 7.6513 7.6525 7.7857 7.7857 7.8575 7.8594 8.3159 8.3159 8.8265 8.8265 8.8730 8.8863 10.0250 10.0250 10.0377 10.0661 10.2262 10.2365 10.2365 10.2789 10.3173 10.3173 10.6934 10.6934 10.7316 10.7799 11.0335 11.0335 11.2320 11.2320 11.2673 11.3175 11.4481 11.4481 11.6010 11.6010 11.7012 11.7347 11.7347 11.7493 12.0297 12.0297 12.2462 12.2462 12.2512 12.2618 12.3483 12.3483 12.3912 12.4414 12.4697 12.4697 12.4828 12.4959 12.5191 12.5191 13.2139 13.2139 13.2466 13.3044 13.3044 13.3078 13.3150 13.3150 13.8606 13.8606 13.9275 13.9275 14.9013 14.9013 14.9092 14.9140 16.0437 16.0478 k = 0.0000 0.0000 0.6859 ( 3944 PWs) bands (ev): 0.2072 0.2072 1.0693 1.0693 1.8716 1.8716 6.1879 6.1879 6.6498 6.6498 7.5974 7.5974 7.6843 7.6855 7.8304 7.8304 7.9021 7.9039 8.2822 8.2822 8.8065 8.8065 8.8540 8.8663 10.0243 10.0243 10.0394 10.0655 10.2320 10.2419 10.2419 10.2821 10.3168 10.3168 10.6867 10.6867 10.7263 10.7696 11.0486 11.0486 11.2313 11.2313 11.2727 11.3194 11.4364 11.4364 11.5699 11.5699 11.6774 11.7078 11.7078 11.7233 12.0284 12.0284 12.2500 12.2500 12.2536 12.2649 12.3540 12.3540 12.3952 12.4423 12.4747 12.4747 12.4811 12.4938 12.5181 12.5181 13.2163 13.2163 13.2495 13.3071 13.3175 13.3175 13.3329 13.3329 13.8481 13.8481 13.8958 13.8958 14.8624 14.8624 14.8660 14.8713 15.9680 15.9722 k = 0.0000 0.0000 0.7050 ( 3944 PWs) bands (ev): 0.2682 0.2682 1.0556 1.0556 1.8859 1.8859 6.1484 6.1484 6.5779 6.5779 7.6270 7.6270 7.7151 7.7163 7.8735 7.8735 7.9451 7.9468 8.2512 8.2512 8.7865 8.7865 8.8349 8.8462 10.0245 10.0245 10.0420 10.0656 10.2378 10.2469 10.2469 10.2848 10.3165 10.3165 10.6804 10.6804 10.7217 10.7599 11.0646 11.0646 11.2303 11.2303 11.2776 11.3205 11.4245 11.4245 11.5407 11.5407 11.6548 11.6821 11.6821 11.6980 12.0271 12.0271 12.2526 12.2526 12.2549 12.2666 12.3593 12.3593 12.3992 12.4431 12.4794 12.4794 12.4799 12.4922 12.5174 12.5174 13.2176 13.2176 13.2522 13.3055 13.3287 13.3287 13.3519 13.3519 13.8244 13.8244 13.8786 13.8786 14.8268 14.8271 14.8271 14.8323 15.8993 15.9034 k = 0.0000 0.0000 0.7240 ( 3938 PWs) bands (ev): 0.3287 0.3287 1.0384 1.0384 1.8990 1.8990 6.1152 6.1152 6.5101 6.5101 7.6541 7.6541 7.7433 7.7445 7.9148 7.9148 7.9863 7.9878 8.2230 8.2230 8.7666 8.7666 8.8160 8.8263 10.0255 10.0255 10.0455 10.0665 10.2434 10.2515 10.2515 10.2869 10.3161 10.3161 10.6749 10.6749 10.7180 10.7510 11.0814 11.0814 11.2291 11.2291 11.2821 11.3206 11.4119 11.4119 11.5143 11.5143 11.6338 11.6575 11.6575 11.6737 12.0259 12.0259 12.2542 12.2542 12.2553 12.2671 12.3644 12.3644 12.4033 12.4439 12.4789 12.4840 12.4840 12.4908 12.5167 12.5167 13.2182 13.2182 13.2546 13.3032 13.3386 13.3386 13.3715 13.3715 13.7933 13.7933 13.8715 13.8715 14.7918 14.7955 14.7955 14.7972 15.8376 15.8417 k = 0.0000 0.0000 0.7431 ( 3956 PWs) bands (ev): 0.3884 0.3884 1.0175 1.0175 1.9108 1.9108 6.0882 6.0882 6.4468 6.4468 7.6784 7.6784 7.7688 7.7699 7.9536 7.9536 8.0250 8.0264 8.1978 8.1978 8.7470 8.7470 8.7975 8.8066 10.0271 10.0271 10.0495 10.0678 10.2488 10.2555 10.2555 10.2882 10.3158 10.3158 10.6699 10.6699 10.7149 10.7429 11.0988 11.0988 11.2275 11.2275 11.2859 11.3196 11.3979 11.3979 11.4912 11.4912 11.6148 11.6347 11.6347 11.6509 12.0248 12.0248 12.2549 12.2549 12.2550 12.2665 12.3689 12.3689 12.4073 12.4443 12.4780 12.4881 12.4881 12.4895 12.5160 12.5160 13.2181 13.2181 13.2567 13.3003 13.3471 13.3471 13.3913 13.3913 13.7609 13.7609 13.8682 13.8682 14.7608 14.7661 14.7675 14.7675 15.7831 15.7869 k = 0.0000 0.0000 0.7621 ( 3956 PWs) bands (ev): 0.4471 0.4471 0.9931 0.9931 1.9212 1.9212 6.0675 6.0675 6.3885 6.3885 7.6998 7.6998 7.7914 7.7923 7.9896 7.9896 8.0609 8.0621 8.1757 8.1757 8.7283 8.7283 8.7797 8.7877 10.0291 10.0291 10.0539 10.0695 10.2540 10.2589 10.2589 10.2888 10.3155 10.3155 10.6659 10.6659 10.7128 10.7358 11.1169 11.1169 11.2257 11.2257 11.2891 11.3177 11.3816 11.3816 11.4724 11.4724 11.5984 11.6141 11.6141 11.6300 12.0239 12.0239 12.2544 12.2551 12.2551 12.2651 12.3730 12.3730 12.4114 12.4444 12.4775 12.4883 12.4920 12.4920 12.5153 12.5153 13.2176 13.2176 13.2589 13.2969 13.3546 13.3546 13.4113 13.4113 13.7294 13.7294 13.8665 13.8665 14.7343 14.7392 14.7435 14.7435 15.7358 15.7393 k = 0.0000 0.0000 0.7812 ( 3962 PWs) bands (ev): 0.5045 0.5045 0.9650 0.9650 1.9301 1.9301 6.0529 6.0529 6.3356 6.3356 7.7181 7.7181 7.8108 7.8116 8.0221 8.0221 8.0932 8.0942 8.1569 8.1569 8.7107 8.7107 8.7632 8.7699 10.0314 10.0314 10.0584 10.0713 10.2589 10.2616 10.2616 10.2887 10.3153 10.3153 10.6625 10.6625 10.7114 10.7297 11.1353 11.1353 11.2240 11.2240 11.2917 11.3151 11.3629 11.3629 11.4581 11.4581 11.5847 11.5960 11.5960 11.6114 12.0231 12.0231 12.2537 12.2548 12.2548 12.2633 12.3766 12.3766 12.4154 12.4440 12.4771 12.4870 12.4955 12.4955 12.5145 12.5145 13.2168 13.2168 13.2610 13.2933 13.3610 13.3610 13.4315 13.4315 13.6994 13.6994 13.8655 13.8655 14.7120 14.7163 14.7232 14.7232 15.6957 15.6988 k = 0.0000 0.0000 0.8002 ( 3962 PWs) bands (ev): 0.5602 0.5602 0.9336 0.9336 1.9375 1.9375 6.0441 6.0441 6.2889 6.2889 7.7332 7.7332 7.8269 7.8276 8.0504 8.0504 8.1214 8.1222 8.1415 8.1415 8.6949 8.6949 8.7484 8.7538 10.0336 10.0336 10.0628 10.0729 10.2635 10.2637 10.2637 10.2878 10.3151 10.3151 10.6600 10.6600 10.7107 10.7247 11.1539 11.1539 11.2228 11.2228 11.2937 11.3120 11.3423 11.3423 11.4479 11.4479 11.5739 11.5807 11.5807 11.5954 12.0224 12.0224 12.2530 12.2543 12.2543 12.2612 12.3795 12.3795 12.4195 12.4431 12.4772 12.4858 12.4987 12.4987 12.5136 12.5136 13.2159 13.2159 13.2633 13.2894 13.3662 13.3662 13.4517 13.4517 13.6712 13.6712 13.8650 13.8650 14.6940 14.6976 14.7068 14.7068 15.6630 15.6655 k = 0.0000 0.0000 0.8193 ( 3950 PWs) bands (ev): 0.6138 0.6138 0.8991 0.8991 1.9434 1.9434 6.0403 6.0403 6.2492 6.2492 7.7450 7.7450 7.8397 7.8402 8.0737 8.0737 8.1294 8.1294 8.1446 8.1451 8.6815 8.6815 8.7359 8.7401 10.0357 10.0357 10.0668 10.0743 10.2653 10.2653 10.2677 10.2863 10.3150 10.3150 10.6583 10.6583 10.7106 10.7207 11.1718 11.1718 11.2231 11.2231 11.2954 11.3087 11.3207 11.3207 11.4410 11.4410 11.5662 11.5687 11.5687 11.5824 12.0219 12.0219 12.2527 12.2539 12.2539 12.2591 12.3820 12.3820 12.4234 12.4417 12.4777 12.4846 12.5015 12.5015 12.5128 12.5128 13.2152 13.2152 13.2657 13.2855 13.3703 13.3703 13.4715 13.4715 13.6452 13.6452 13.8647 13.8647 14.6802 14.6830 14.6941 14.6941 15.6375 15.6395 k = 0.0000 0.0000 0.8383 ( 3950 PWs) bands (ev): 0.6645 0.6645 0.8622 0.8622 1.9476 1.9476 6.0403 6.0403 6.2181 6.2181 7.7535 7.7535 7.8488 7.8492 8.0912 8.0912 8.1206 8.1206 8.1619 8.1623 8.6712 8.6712 8.7266 8.7294 10.0373 10.0373 10.0701 10.0751 10.2663 10.2663 10.2717 10.2842 10.3150 10.3150 10.6571 10.6571 10.7110 10.7175 11.1866 11.1866 11.2271 11.2271 11.2969 11.2987 11.2987 11.3055 11.4364 11.4364 11.5599 11.5599 11.5615 11.5722 12.0216 12.0216 12.2527 12.2534 12.2534 12.2571 12.3837 12.3837 12.4272 12.4397 12.4785 12.4833 12.5040 12.5040 12.5117 12.5117 13.2145 13.2145 13.2684 13.2817 13.3732 13.3732 13.4900 13.4900 13.6222 13.6222 13.8646 13.8646 14.6706 14.6725 14.6851 14.6851 15.6194 15.6208 k = 0.0000 0.0000 0.8574 ( 3950 PWs) bands (ev): 0.7096 0.7096 0.8252 0.8252 1.9501 1.9501 6.0420 6.0420 6.1976 6.1976 7.7585 7.7585 7.8544 7.8546 8.1023 8.1023 8.1151 8.1151 8.1727 8.1729 8.6647 8.6647 8.7209 8.7223 10.0383 10.0383 10.0727 10.0752 10.2669 10.2669 10.2753 10.2816 10.3149 10.3149 10.6565 10.6565 10.7118 10.7150 11.1952 11.1952 11.2375 11.2375 11.2774 11.2774 11.2984 11.3027 11.4339 11.4339 11.5545 11.5545 11.5597 11.5650 12.0213 12.0213 12.2531 12.2531 12.2531 12.2553 12.3847 12.3847 12.4308 12.4371 12.4795 12.4819 12.5059 12.5059 12.5105 12.5105 13.2141 13.2141 13.2713 13.2780 13.3750 13.3750 13.5049 13.5049 13.6046 13.6046 13.8645 13.8645 14.6650 14.6660 14.6797 14.6797 15.6087 15.6094 k = 0.0000 0.0000 0.8764 ( 3950 PWs) bands (ev): 0.7344 0.7344 0.8032 0.8032 1.9509 1.9509 6.0430 6.0430 6.1904 6.1904 7.7602 7.7602 7.8563 7.8563 8.1064 8.1064 8.1129 8.1129 8.1764 8.1764 8.6625 8.6625 8.7194 8.7194 10.0387 10.0387 10.0744 10.0744 10.2671 10.2671 10.2786 10.2786 10.3149 10.3149 10.6563 10.6563 10.7131 10.7131 11.1976 11.1976 11.2495 11.2495 11.2623 11.2623 11.3003 11.3003 11.4331 11.4331 11.5527 11.5527 11.5609 11.5609 12.0213 12.0213 12.2529 12.2529 12.2540 12.2540 12.3850 12.3850 12.4341 12.4341 12.4806 12.4806 12.5069 12.5069 12.5098 12.5098 13.2139 13.2139 13.2745 13.2745 13.3756 13.3756 13.5111 13.5111 13.5975 13.5975 13.8645 13.8645 14.6635 14.6635 14.6779 14.6779 15.6054 15.6054 k = 0.0000 0.0000 0.8764 ( 3950 PWs) bands (ev): 0.7344 0.7344 0.8032 0.8032 1.9509 1.9509 6.0430 6.0430 6.1904 6.1904 7.7602 7.7602 7.8563 7.8563 8.1064 8.1064 8.1129 8.1129 8.1764 8.1764 8.6625 8.6625 8.7194 8.7194 10.0387 10.0387 10.0744 10.0744 10.2671 10.2671 10.2786 10.2786 10.3149 10.3149 10.6563 10.6563 10.7131 10.7131 11.1976 11.1976 11.2495 11.2495 11.2623 11.2623 11.3003 11.3003 11.4331 11.4331 11.5527 11.5527 11.5609 11.5609 12.0213 12.0213 12.2529 12.2529 12.2540 12.2540 12.3850 12.3850 12.4341 12.4341 12.4806 12.4806 12.5069 12.5069 12.5098 12.5098 13.2139 13.2139 13.2745 13.2745 13.3756 13.3756 13.5111 13.5111 13.5975 13.5975 13.8645 13.8645 14.6635 14.6635 14.6779 14.6779 15.6054 15.6054 k = 0.0167 0.0096 0.8764 ( 3950 PWs) bands (ev): 0.7352 0.7352 0.8034 0.8034 1.9502 1.9502 6.0409 6.0409 6.1901 6.1901 7.7597 7.7598 7.8556 7.8557 8.0824 8.0839 8.1254 8.1282 8.1843 8.1856 8.6641 8.6642 8.7207 8.7208 10.0393 10.0393 10.0750 10.0750 10.2674 10.2675 10.2789 10.2790 10.3157 10.3157 10.6559 10.6559 10.7127 10.7127 11.1972 11.1972 11.2488 11.2489 11.2626 11.2626 11.3003 11.3004 11.4327 11.4327 11.5520 11.5521 11.5599 11.5600 12.0210 12.0211 12.2507 12.2512 12.2558 12.2563 12.3852 12.3853 12.4354 12.4355 12.4812 12.4812 12.5054 12.5054 12.5131 12.5132 13.2120 13.2120 13.2714 13.2714 13.3766 13.3766 13.5144 13.5145 13.5988 13.5988 13.8675 13.8675 14.6647 14.6647 14.6791 14.6791 15.6086 15.6087 k = 0.0333 0.0192 0.8764 ( 3950 PWs) bands (ev): 0.7375 0.7375 0.8039 0.8039 1.9478 1.9478 6.0346 6.0346 6.1892 6.1892 7.7577 7.7588 7.8529 7.8543 8.0492 8.0533 8.1309 8.1405 8.2024 8.2079 8.6687 8.6695 8.7245 8.7252 10.0411 10.0412 10.0769 10.0769 10.2682 10.2687 10.2798 10.2801 10.3180 10.3181 10.6549 10.6549 10.7115 10.7115 11.1961 11.1961 11.2468 11.2474 11.2636 11.2636 11.3001 11.3006 11.4315 11.4316 11.5497 11.5503 11.5569 11.5576 12.0204 12.0205 12.2475 12.2495 12.2575 12.2594 12.3854 12.3863 12.4386 12.4400 12.4829 12.4829 12.5047 12.5048 12.5190 12.5194 13.2061 13.2064 13.2627 13.2629 13.3798 13.3798 13.5237 13.5238 13.6026 13.6026 13.8763 13.8765 14.6683 14.6685 14.6826 14.6827 15.6165 15.6174 k = 0.0500 0.0289 0.8764 ( 3952 PWs) bands (ev): 0.7413 0.7413 0.8047 0.8047 1.9438 1.9438 6.0242 6.0243 6.1877 6.1877 7.7540 7.7577 7.8482 7.8526 8.0129 8.0191 8.1337 8.1508 8.2239 8.2346 8.6757 8.6783 8.7303 8.7325 10.0441 10.0443 10.0800 10.0801 10.2692 10.2707 10.2811 10.2824 10.3218 10.3221 10.6531 10.6531 10.7094 10.7095 11.1943 11.1943 11.2432 11.2449 11.2649 11.2651 11.2996 11.3012 11.4296 11.4297 11.5458 11.5475 11.5520 11.5541 12.0192 12.0197 12.2440 12.2484 12.2586 12.2630 12.3856 12.3882 12.4434 12.4475 12.4856 12.4858 12.5059 12.5063 12.5263 12.5274 13.1961 13.1970 13.2499 13.2508 13.3852 13.3852 13.5374 13.5378 13.6090 13.6092 13.8905 13.8913 14.6741 14.6746 14.6887 14.6891 15.6274 15.6293 k = 0.0667 0.0385 0.8764 ( 3948 PWs) bands (ev): 0.7466 0.7466 0.8059 0.8059 1.9383 1.9383 6.0099 6.0100 6.1857 6.1858 7.7483 7.7567 7.8413 7.8514 7.9748 7.9825 8.1367 8.1611 8.2458 8.2618 8.6845 8.6906 8.7378 8.7429 10.0481 10.0486 10.0844 10.0845 10.2703 10.2735 10.2830 10.2859 10.3269 10.3277 10.6506 10.6507 10.7067 10.7068 11.1918 11.1919 11.2379 11.2416 11.2666 11.2670 11.2986 11.3021 11.4269 11.4272 11.5405 11.5439 11.5457 11.5499 12.0177 12.0188 12.2404 12.2481 12.2594 12.2670 12.3859 12.3908 12.4492 12.4577 12.4893 12.4900 12.5088 12.5100 12.5347 12.5369 13.1820 13.1839 13.2348 13.2370 13.3927 13.3928 13.5541 13.5549 13.6180 13.6184 13.9097 13.9115 14.6819 14.6829 14.6977 14.6985 15.6413 15.6442 k = 0.0833 0.0481 0.8764 ( 3948 PWs) bands (ev): 0.7535 0.7535 0.8074 0.8074 1.9313 1.9313 5.9917 5.9919 6.1833 6.1834 7.7404 7.7557 7.8324 7.8512 7.9358 7.9440 8.1407 8.1721 8.2670 8.2885 8.6945 8.7060 8.7466 8.7562 10.0532 10.0542 10.0900 10.0902 10.2713 10.2769 10.2856 10.2906 10.3332 10.3347 10.6474 10.6475 10.7032 10.7034 11.1886 11.1891 11.2311 11.2373 11.2684 11.2690 11.2971 11.3030 11.4234 11.4241 11.5341 11.5369 11.5407 11.5450 12.0158 12.0178 12.2368 12.2484 12.2598 12.2713 12.3863 12.3939 12.4558 12.4702 12.4940 12.4955 12.5133 12.5157 12.5440 12.5478 13.1641 13.1675 13.2186 13.2226 13.4025 13.4026 13.5725 13.5736 13.6295 13.6303 13.9334 13.9366 14.6913 14.6929 14.7103 14.7113 15.6586 15.6625 k = 0.1000 0.0577 0.8764 ( 3952 PWs) bands (ev): 0.7618 0.7618 0.8092 0.8092 1.9228 1.9228 5.9699 5.9703 6.1804 6.1806 7.7302 7.7538 7.8221 7.8526 7.8971 7.9041 8.1458 8.1839 8.2872 8.3142 8.7052 8.7238 8.7565 8.7722 10.0594 10.0609 10.0967 10.0971 10.2724 10.2806 10.2891 10.2965 10.3407 10.3430 10.6434 10.6436 10.6991 10.6996 11.1844 11.1858 11.2229 11.2320 11.2703 11.2705 11.2951 11.3037 11.4193 11.4204 11.5272 11.5280 11.5366 11.5396 12.0136 12.0167 12.2332 12.2493 12.2602 12.2761 12.3870 12.3973 12.4629 12.4841 12.4995 12.5024 12.5193 12.5231 12.5541 12.5598 13.1434 13.1481 13.2021 13.2081 13.4143 13.4146 13.5917 13.5931 13.6433 13.6448 13.9612 13.9661 14.7024 14.7044 14.7266 14.7277 15.6797 15.6845 k = 0.1167 0.0674 0.8764 ( 3956 PWs) bands (ev): 0.7715 0.7715 0.8112 0.8112 1.9128 1.9128 5.9449 5.9454 6.1773 6.1775 7.7176 7.7484 7.8112 7.8548 7.8615 7.8647 8.1517 8.1962 8.3063 8.3390 8.7161 8.7428 8.7678 8.7906 10.0667 10.0686 10.1047 10.1050 10.2738 10.2846 10.2936 10.3033 10.3492 10.3524 10.6386 10.6390 10.6945 10.6952 11.1788 11.1822 11.2141 11.2257 11.2710 11.2721 11.2930 11.3039 11.4145 11.4162 11.5186 11.5204 11.5326 11.5337 12.0113 12.0156 12.2299 12.2506 12.2609 12.2813 12.3881 12.4006 12.4704 12.4979 12.5068 12.5106 12.5263 12.5319 12.5648 12.5727 13.1207 13.1266 13.1857 13.1937 13.4281 13.4286 13.6114 13.6128 13.6593 13.6617 13.9927 13.9996 14.7153 14.7175 14.7469 14.7476 15.7046 15.7103 k = 0.1333 0.0770 0.8764 ( 3960 PWs) bands (ev): 0.7826 0.7827 0.8136 0.8136 1.9014 1.9014 5.9169 5.9176 6.1739 6.1742 7.7020 7.7349 7.7975 7.8221 7.8365 7.8625 8.1585 8.2089 8.3246 8.3629 8.7266 8.7605 8.7823 8.8109 10.0750 10.0773 10.1139 10.1140 10.2754 10.2885 10.2991 10.3110 10.3586 10.3630 10.6329 10.6335 10.6894 10.6905 11.1708 11.1783 11.2056 11.2185 11.2690 11.2738 11.2919 11.3031 11.4093 11.4116 11.5093 11.5140 11.5279 11.5288 12.0090 12.0145 12.2269 12.2518 12.2627 12.2871 12.3897 12.4040 12.4780 12.5075 12.5193 12.5197 12.5344 12.5421 12.5761 12.5863 13.0970 13.1038 13.1692 13.1791 13.4437 13.4444 13.6312 13.6324 13.6773 13.6804 14.0277 14.0367 14.7300 14.7322 14.7711 14.7712 15.7333 15.7400 k = 0.1500 0.0866 0.8764 ( 3952 PWs) bands (ev): 0.7952 0.7952 0.8161 0.8161 1.8886 1.8887 5.8863 5.8872 6.1704 6.1709 7.6828 7.7095 7.7774 7.7828 7.8304 7.8709 8.1660 8.2216 8.3424 8.3858 8.7365 8.7739 8.8019 8.8328 10.0846 10.0869 10.1238 10.1243 10.2773 10.2925 10.3057 10.3193 10.3686 10.3743 10.6266 10.6274 10.6841 10.6856 11.1598 11.1738 11.1984 11.2105 11.2639 11.2754 11.2924 11.3013 11.4036 11.4067 11.5006 11.5085 11.5222 11.5256 12.0068 12.0135 12.2243 12.2525 12.2661 12.2933 12.3920 12.4073 12.4859 12.5144 12.5295 12.5350 12.5432 12.5534 12.5879 12.6003 13.0732 13.0805 13.1528 13.1644 13.4611 13.4619 13.6508 13.6520 13.6970 13.7006 14.0659 14.0770 14.7468 14.7487 14.7983 14.7993 15.7660 15.7737 k = 0.1667 0.0962 0.8764 ( 3964 PWs) bands (ev): 0.8089 0.8090 0.8189 0.8189 1.8746 1.8746 5.8535 5.8547 6.1670 6.1675 7.6586 7.6740 7.7466 7.7559 7.8369 7.8822 8.1738 8.2339 8.3600 8.4080 8.7454 8.7836 8.8252 8.8556 10.0951 10.0973 10.1343 10.1356 10.2797 10.2966 10.3129 10.3280 10.3793 10.3863 10.6195 10.6204 10.6785 10.6804 11.1457 11.1681 11.1927 11.2021 11.2557 11.2764 11.2940 11.2980 11.3974 11.4015 11.4928 11.5037 11.5169 11.5228 12.0046 12.0124 12.2222 12.2526 12.2708 12.3000 12.3946 12.4106 12.4936 12.5207 12.5396 12.5497 12.5538 12.5655 12.6001 12.6144 13.0492 13.0569 13.1363 13.1495 13.4798 13.4806 13.6700 13.6712 13.7184 13.7218 14.1072 14.1202 14.7655 14.7671 14.8288 14.8312 15.8025 15.8114 k = 0.1833 0.1058 0.8764 ( 3952 PWs) bands (ev): 0.8214 0.8214 0.8245 0.8245 1.8593 1.8594 5.8189 5.8203 6.1636 6.1643 7.6280 7.6329 7.7153 7.7352 7.8500 7.8963 8.1819 8.2455 8.3776 8.4295 8.7531 8.7912 8.8503 8.8792 10.1069 10.1084 10.1455 10.1480 10.2824 10.3010 10.3208 10.3372 10.3904 10.3987 10.6117 10.6128 10.6728 10.6752 11.1293 11.1611 11.1881 11.1940 11.2452 11.2764 11.2940 11.2964 11.3911 11.3962 11.4862 11.5000 11.5126 11.5208 12.0028 12.0114 12.2208 12.2528 12.2769 12.3073 12.3979 12.4140 12.5012 12.5268 12.5500 12.5599 12.5692 12.5784 12.6127 12.6286 13.0259 13.0337 13.1199 13.1346 13.4999 13.5004 13.6885 13.6900 13.7416 13.7439 14.1515 14.1662 14.7862 14.7874 14.8625 14.8666 15.8430 15.8530 k = 0.2000 0.1155 0.8764 ( 3948 PWs) bands (ev): 0.8248 0.8248 0.8405 0.8406 1.8428 1.8429 5.7831 5.7847 6.1604 6.1613 7.5890 7.5915 7.6892 7.7149 7.8674 7.9132 8.1901 8.2560 8.3955 8.4503 8.7594 8.7970 8.8758 8.9030 10.1197 10.1201 10.1571 10.1611 10.2856 10.3057 10.3289 10.3465 10.4017 10.4112 10.6034 10.6047 10.6670 10.6699 11.1112 11.1519 11.1842 11.1866 11.2329 11.2737 11.2904 11.2989 11.3845 11.3907 11.4809 11.4971 11.5094 11.5195 12.0011 12.0105 12.2199 12.2529 12.2840 12.3150 12.4016 12.4176 12.5085 12.5327 12.5604 12.5689 12.5851 12.5915 12.6253 12.6425 13.0032 13.0109 13.1036 13.1197 13.5209 13.5209 13.7060 13.7081 13.7666 13.7668 14.1986 14.2147 14.8090 14.8095 14.8989 14.9050 15.8873 15.8985 k = 0.2167 0.1251 0.8764 ( 3952 PWs) bands (ev): 0.8280 0.8280 0.8580 0.8580 1.8253 1.8254 5.7463 5.7481 6.1575 6.1586 7.5440 7.5508 7.6670 7.6949 7.8883 7.9328 8.1982 8.2653 8.4139 8.4706 8.7641 8.8011 8.9013 8.9266 10.1323 10.1336 10.1690 10.1748 10.2893 10.3107 10.3374 10.3559 10.4132 10.4237 10.5945 10.5958 10.6611 10.6645 11.0921 11.1405 11.1798 11.1806 11.2197 11.2668 11.2890 11.3013 11.3779 11.3852 11.4769 11.4947 11.5076 11.5189 11.9997 12.0095 12.2195 12.2533 12.2919 12.3231 12.4057 12.4212 12.5154 12.5382 12.5706 12.5774 12.6003 12.6048 12.6380 12.6558 12.9813 12.9888 13.0873 13.1047 13.5418 13.5426 13.7223 13.7252 13.7905 13.7931 14.2485 14.2657 14.8333 14.8337 14.9371 14.9455 15.9353 15.9478 k = 0.2333 0.1347 0.8764 ( 3956 PWs) bands (ev): 0.8313 0.8313 0.8765 0.8766 1.8067 1.8069 5.7092 5.7111 6.1550 6.1562 7.4988 7.5079 7.6471 7.6753 7.9119 7.9548 8.2061 8.2730 8.4328 8.4902 8.7671 8.8035 8.9264 8.9499 10.1449 10.1485 10.1812 10.1890 10.2933 10.3160 10.3459 10.3651 10.4246 10.4359 10.5852 10.5867 10.6551 10.6591 11.0725 11.1273 11.1729 11.1772 11.2064 11.2564 11.2891 11.3036 11.3711 11.3796 11.4741 11.4927 11.5072 11.5189 11.9985 12.0087 12.2198 12.2538 12.3005 12.3315 12.4102 12.4251 12.5218 12.5434 12.5807 12.5856 12.6149 12.6178 12.6505 12.6685 12.9605 12.9677 13.0711 13.0898 13.5628 13.5647 13.7374 13.7412 13.8150 13.8213 14.3011 14.3189 14.8588 14.8603 14.9760 14.9870 15.9870 16.0009 k = 0.2500 0.1443 0.8764 ( 3960 PWs) bands (ev): 0.8346 0.8346 0.8960 0.8961 1.7872 1.7874 5.6720 5.6741 6.1529 6.1543 7.4538 7.4642 7.6288 7.6561 7.9380 7.9790 8.2137 8.2793 8.4522 8.5093 8.7684 8.8042 8.9509 8.9725 10.1576 10.1642 10.1934 10.2035 10.2979 10.3216 10.3545 10.3742 10.4358 10.4474 10.5757 10.5772 10.6492 10.6538 11.0531 11.1129 11.1643 11.1738 11.1949 11.2438 11.2899 11.3057 11.3643 11.3740 11.4723 11.4910 11.5081 11.5196 11.9976 12.0079 12.2208 12.2547 12.3097 12.3401 12.4151 12.4292 12.5277 12.5482 12.5907 12.5932 12.6286 12.6303 12.6628 12.6806 12.9409 12.9477 13.0551 13.0749 13.5835 13.5868 13.7513 13.7559 13.8407 13.8508 14.3562 14.3743 14.8857 14.8884 15.0142 15.0280 16.0420 16.0576 k = 0.2667 0.1540 0.8764 ( 3964 PWs) bands (ev): 0.8379 0.8379 0.9164 0.9165 1.7669 1.7671 5.6353 5.6374 6.1513 6.1529 7.4095 7.4206 7.6116 7.6374 7.9661 8.0052 8.2209 8.2842 8.4718 8.5278 8.7679 8.8031 8.9744 8.9943 10.1704 10.1806 10.2056 10.2182 10.3028 10.3276 10.3629 10.3829 10.4467 10.4581 10.5661 10.5675 10.6433 10.6484 11.0340 11.0977 11.1524 11.1702 11.1865 11.2298 11.2908 11.3075 11.3576 11.3685 11.4713 11.4896 11.5099 11.5207 11.9969 12.0072 12.2224 12.2559 12.3192 12.3487 12.4203 12.4334 12.5332 12.5526 12.6004 12.6004 12.6413 12.6421 12.6745 12.6918 12.9228 12.9292 13.0392 13.0602 13.6037 13.6085 13.7641 13.7693 13.8676 13.8817 14.4137 14.4319 14.9136 14.9179 15.0495 15.0663 16.1003 16.1175 k = 0.2833 0.1636 0.8764 ( 3960 PWs) bands (ev): 0.8412 0.8412 0.9376 0.9377 1.7459 1.7461 5.5994 5.6015 6.1503 6.1519 7.3664 7.3777 7.5954 7.6195 7.9958 8.0330 8.2277 8.2879 8.4916 8.5456 8.7658 8.8003 8.9969 9.0150 10.1831 10.1976 10.2176 10.2327 10.3082 10.3339 10.3713 10.3914 10.4573 10.4678 10.5564 10.5578 10.6376 10.6431 11.0158 11.0821 11.1381 11.1663 11.1810 11.2152 11.2919 11.3090 11.3511 11.3630 11.4711 11.4887 11.5124 11.5223 11.9965 12.0067 12.2246 12.2574 12.3289 12.3573 12.4259 12.4379 12.5383 12.5566 12.6070 12.6100 12.6529 12.6531 12.6856 12.7023 12.9062 12.9123 13.0235 13.0457 13.6232 13.6295 13.7757 13.7814 13.8960 13.9140 14.4736 14.4915 14.9419 14.9481 15.0800 15.0999 16.1612 16.1804 k = 0.3000 0.1732 0.8764 ( 3956 PWs) bands (ev): 0.8444 0.8444 0.9594 0.9595 1.7242 1.7245 5.5646 5.5668 6.1497 6.1515 7.3247 7.3359 7.5802 7.6024 8.0269 8.0620 8.2341 8.2905 8.5113 8.5627 8.7619 8.7957 9.0181 9.0346 10.1955 10.2148 10.2294 10.2470 10.3140 10.3405 10.3793 10.3993 10.4674 10.4765 10.5469 10.5482 10.6320 10.6379 10.9988 11.0662 11.1225 11.1616 11.1772 11.2006 11.2930 11.3102 11.3449 11.3576 11.4716 11.4881 11.5152 11.5241 11.9964 12.0062 12.2273 12.2591 12.3386 12.3657 12.4316 12.4425 12.5429 12.5601 12.6131 12.6194 12.6625 12.6639 12.6959 12.7119 12.8912 12.8971 13.0081 13.0313 13.6417 13.6493 13.7863 13.7922 13.9260 13.9474 14.5356 14.5529 14.9696 14.9779 15.1038 15.1269 16.2242 16.2457 k = 0.3167 0.1828 0.8764 ( 3948 PWs) bands (ev): 0.8476 0.8476 0.9818 0.9819 1.7021 1.7024 5.5314 5.5336 6.1498 6.1517 7.2847 7.2956 7.5660 7.5862 8.0588 8.0919 8.2401 8.2920 8.5306 8.5788 8.7565 8.7895 9.0381 9.0529 10.2075 10.2318 10.2409 10.2608 10.3202 10.3473 10.3870 10.4067 10.4770 10.4840 10.5376 10.5387 10.6266 10.6328 10.9829 11.0502 11.1070 11.1553 11.1742 11.1874 11.2941 11.3111 11.3390 11.3523 11.4726 11.4880 11.5182 11.5261 11.9965 12.0058 12.2304 12.2610 12.3483 12.3738 12.4375 12.4472 12.5471 12.5631 12.6187 12.6286 12.6704 12.6737 12.7053 12.7206 12.8782 12.8842 12.9930 13.0172 13.6590 13.6677 13.7960 13.8020 13.9577 13.9821 14.5995 14.6160 14.9947 15.0051 15.1204 15.1463 16.2882 16.3125 k = 0.3333 0.1925 0.8764 ( 3950 PWs) bands (ev): 0.8505 0.8505 1.0044 1.0046 1.6797 1.6800 5.5001 5.5022 6.1503 6.1522 7.2469 7.2573 7.5529 7.5711 8.0912 8.1221 8.2458 8.2928 8.5493 8.5939 8.7496 8.7818 9.0565 9.0697 10.2190 10.2483 10.2518 10.2737 10.3267 10.3543 10.3942 10.4133 10.4860 10.4905 10.5286 10.5296 10.6215 10.6278 10.9686 11.0341 11.0922 11.1460 11.1717 11.1772 11.2952 11.3116 11.3336 11.3470 11.4739 11.4880 11.5213 11.5281 11.9967 12.0055 12.2339 12.2629 12.3576 12.3813 12.4434 12.4520 12.5508 12.5657 12.6238 12.6375 12.6765 12.6824 12.7136 12.7284 12.8671 12.8735 12.9782 13.0033 13.6750 13.6843 13.8046 13.8105 13.9912 14.0179 14.6649 14.6805 15.0136 15.0249 15.1326 15.1599 16.3515 16.3793 k = 0.3500 0.2021 0.8764 ( 3954 PWs) bands (ev): 0.8534 0.8534 1.0272 1.0274 1.6572 1.6576 5.4709 5.4728 6.1513 6.1532 7.2114 7.2212 7.5408 7.5571 8.1238 8.1522 8.2513 8.2928 8.5671 8.6079 8.7413 8.7725 9.0734 9.0851 10.2297 10.2616 10.2644 10.2858 10.3335 10.3615 10.4010 10.4194 10.4942 10.4960 10.5201 10.5210 10.6168 10.6229 10.9559 11.0180 11.0787 11.1337 11.1694 11.1703 11.2963 11.3117 11.3287 11.3420 11.4755 11.4883 11.5243 11.5301 11.9970 12.0052 12.2377 12.2648 12.3664 12.3882 12.4493 12.4567 12.5542 12.5679 12.6283 12.6462 12.6807 12.6900 12.7209 12.7353 12.8579 12.8652 12.9637 12.9897 13.6894 13.6991 13.8124 13.8180 14.0267 14.0549 14.7315 14.7461 15.0212 15.0297 15.1474 15.1723 16.4112 16.4433 k = 0.3667 0.2117 0.8764 ( 3954 PWs) bands (ev): 0.8560 0.8560 1.0499 1.0501 1.6349 1.6352 5.4440 5.4459 6.1526 6.1546 7.1787 7.1878 7.5300 7.5443 8.1561 8.1814 8.2569 8.2922 8.5839 8.6206 8.7319 8.7619 9.0888 9.0990 10.2397 10.2709 10.2787 10.2968 10.3407 10.3685 10.4071 10.4246 10.5003 10.5007 10.5128 10.5140 10.6126 10.6182 10.9448 11.0021 11.0669 11.1198 11.1657 11.1673 11.2973 11.3114 11.3245 11.3371 11.4772 11.4887 11.5271 11.5320 11.9975 12.0050 12.2417 12.2667 12.3748 12.3944 12.4550 12.4612 12.5572 12.5697 12.6324 12.6545 12.6829 12.6966 12.7271 12.7412 12.8510 12.8595 12.9498 12.9766 13.7024 13.7120 13.8193 13.8246 14.0639 14.0929 14.7986 14.8121 15.0130 15.0156 15.1694 15.1886 16.4614 16.4988 k = 0.3833 0.2213 0.8764 ( 3950 PWs) bands (ev): 0.8584 0.8584 1.0722 1.0724 1.6129 1.6133 5.4198 5.4215 6.1543 6.1562 7.1490 7.1572 7.5203 7.5328 8.1876 8.2088 8.2631 8.2912 8.5994 8.6318 8.7217 8.7503 9.1026 9.1114 10.2489 10.2791 10.2916 10.3065 10.3481 10.3754 10.4127 10.4292 10.4999 10.5002 10.5106 10.5141 10.6089 10.6139 10.9353 10.9865 11.0568 11.1056 11.1625 11.1654 11.2983 11.3107 11.3211 11.3326 11.4792 11.4892 11.5296 11.5337 11.9982 12.0048 12.2459 12.2685 12.3825 12.3999 12.4604 12.4656 12.5600 12.5712 12.6360 12.6624 12.6835 12.7021 12.7324 12.7462 12.8459 12.8562 12.9365 12.9638 13.7138 13.7230 13.8254 13.8302 14.1028 14.1318 14.8651 14.8780 14.9863 14.9899 15.1963 15.2099 16.4919 16.5329 k = 0.4000 0.2309 0.8764 ( 3946 PWs) bands (ev): 0.8605 0.8605 1.0937 1.0939 1.5918 1.5921 5.3985 5.4000 6.1562 6.1579 7.1226 7.1298 7.5120 7.5226 8.2178 8.2322 8.2713 8.2898 8.6136 8.6416 8.7112 8.7378 9.1147 9.1221 10.2572 10.2859 10.3026 10.3149 10.3557 10.3817 10.4176 10.4330 10.4942 10.4943 10.5142 10.5196 10.6058 10.6098 10.9273 10.9714 11.0486 11.0919 11.1601 11.1636 11.2993 11.3095 11.3185 11.3284 11.4811 11.4897 11.5319 11.5353 11.9989 12.0047 12.2500 12.2700 12.3894 12.4044 12.4655 12.4697 12.5625 12.5723 12.6393 12.6692 12.6831 12.7065 12.7369 12.7503 12.8429 12.8550 12.9241 12.9516 13.7238 13.7322 13.8307 13.8349 14.1428 14.1711 14.9249 14.9405 14.9494 14.9613 15.2246 15.2340 16.4907 16.5284 k = 0.4167 0.2406 0.8764 ( 3958 PWs) bands (ev): 0.8623 0.8623 1.1139 1.1140 1.5719 1.5722 5.3801 5.3814 6.1581 6.1596 7.0997 7.1060 7.5050 7.5138 8.2460 8.2488 8.2837 8.2881 8.6261 8.6495 8.7007 8.7249 9.1251 9.1311 10.2647 10.2911 10.3116 10.3218 10.3633 10.3873 10.4218 10.4360 10.4879 10.4880 10.5190 10.5253 10.6032 10.6062 10.9208 10.9574 11.0422 11.0790 11.1583 11.1618 11.3002 11.3081 11.3166 11.3245 11.4830 11.4902 11.5339 11.5365 11.9995 12.0044 12.2540 12.2710 12.3954 12.4081 12.4699 12.4732 12.5647 12.5730 12.6423 12.6730 12.6841 12.7097 12.7408 12.7534 12.8413 12.8551 12.9127 12.9400 13.7322 13.7396 13.8351 13.8388 14.1834 14.2101 14.9027 14.9086 14.9994 15.0050 15.2518 15.2583 16.4580 16.4866 k = 0.4333 0.2502 0.8764 ( 3958 PWs) bands (ev): 0.8639 0.8639 1.1321 1.1323 1.5539 1.5542 5.3649 5.3660 6.1599 6.1613 7.0808 7.0859 7.4994 7.5063 8.2583 8.2716 8.2862 8.2998 8.6369 8.6557 8.6912 8.7122 9.1337 9.1384 10.2715 10.2944 10.3190 10.3273 10.3708 10.3918 10.4256 10.4382 10.4822 10.4823 10.5243 10.5305 10.6012 10.6031 10.9159 10.9447 11.0378 11.0676 11.1569 11.1602 11.3011 11.3067 11.3153 11.3211 11.4848 11.4906 11.5355 11.5375 12.0003 12.0042 12.2578 12.2717 12.4006 12.4108 12.4737 12.4762 12.5668 12.5735 12.6451 12.6719 12.6886 12.7117 12.7444 12.7556 12.8413 12.8562 12.9031 12.9292 13.7392 13.7453 13.8388 13.8418 14.2235 14.2478 14.8574 14.8660 15.0569 15.0623 15.2762 15.2806 16.4084 16.4286 k = 0.4500 0.2598 0.8764 ( 3962 PWs) bands (ev): 0.8651 0.8651 1.1478 1.1479 1.5386 1.5388 5.3530 5.3538 6.1616 6.1626 7.0659 7.0698 7.4951 7.5003 8.2642 8.2832 8.2947 8.3151 8.6459 8.6598 8.6834 8.7002 9.1405 9.1441 10.2776 10.2960 10.3248 10.3312 10.3778 10.3948 10.4290 10.4395 10.4774 10.4775 10.5295 10.5347 10.5997 10.6006 10.9125 10.9337 11.0352 11.0576 11.1561 11.1588 11.3019 11.3056 11.3144 11.3183 11.4865 11.4907 11.5368 11.5383 12.0009 12.0038 12.2613 12.2719 12.4049 12.4126 12.4768 12.4786 12.5685 12.5737 12.6479 12.6687 12.6943 12.7126 12.7477 12.7569 12.8424 12.8571 12.8958 12.9192 13.7449 13.7496 13.8418 13.8440 14.2614 14.2821 14.8148 14.8239 15.1081 15.1123 15.2966 15.2995 16.3569 16.3705 k = 0.4667 0.2694 0.8764 ( 3954 PWs) bands (ev): 0.8659 0.8659 1.1599 1.1600 1.5267 1.5268 5.3445 5.3450 6.1629 6.1636 7.0554 7.0580 7.4924 7.4958 8.2686 8.2810 8.3126 8.3267 8.6529 8.6617 8.6783 8.6898 9.1457 9.1480 10.2830 10.2959 10.3293 10.3337 10.3840 10.3961 10.4322 10.4400 10.4737 10.4739 10.5339 10.5376 10.5986 10.5988 10.9109 10.9247 11.0343 11.0493 11.1557 11.1576 11.3027 11.3047 11.3138 11.3160 11.4879 11.4907 11.5379 11.5388 12.0016 12.0036 12.2644 12.2716 12.4085 12.4136 12.4792 12.4803 12.5701 12.5736 12.6509 12.6650 12.6997 12.7123 12.7508 12.7574 12.8445 12.8567 12.8922 12.9103 13.7491 13.7523 13.8440 13.8456 14.2946 14.3101 14.7794 14.7872 15.1489 15.1518 15.3120 15.3138 16.3136 16.3220 k = 0.4833 0.2791 0.8764 ( 3958 PWs) bands (ev): 0.8665 0.8665 1.1676 1.1676 1.5191 1.5192 5.3394 5.3397 6.1638 6.1642 7.0493 7.0506 7.4910 7.4927 8.2722 8.2783 8.3254 8.3326 8.6578 8.6618 8.6764 8.6820 9.1489 9.1501 10.2877 10.2943 10.3324 10.3347 10.3893 10.3956 10.4351 10.4394 10.4713 10.4715 10.5372 10.5391 10.5978 10.5978 10.9111 10.9179 11.0354 11.0428 11.1557 11.1567 11.3032 11.3041 11.3135 11.3145 11.4890 11.4904 11.5385 11.5390 12.0021 12.0031 12.2670 12.2706 12.4111 12.4136 12.4806 12.4812 12.5715 12.5732 12.6540 12.6611 12.7043 12.7107 12.7534 12.7568 12.8475 12.8545 12.8926 12.9026 13.7520 13.7537 13.8456 13.8463 14.3194 14.3278 14.7561 14.7608 15.1757 15.1771 15.3217 15.3226 16.2854 16.2894 k = 0.5000 0.2887 0.8764 ( 3964 PWs) bands (ev): 0.8667 0.8667 1.1702 1.1702 1.5166 1.5166 5.3378 5.3378 6.1643 6.1643 7.0476 7.0476 7.4911 7.4911 8.2754 8.2754 8.3323 8.3323 8.6606 8.6606 8.6775 8.6775 9.1504 9.1504 10.2915 10.2915 10.3343 10.3343 10.3932 10.3932 10.4376 10.4376 10.4705 10.4705 10.5389 10.5389 10.5975 10.5975 10.9133 10.9133 11.0381 11.0381 11.1560 11.1560 11.3037 11.3037 11.3136 11.3136 11.4899 11.4899 11.5389 11.5389 12.0026 12.0026 12.2690 12.2690 12.4128 12.4128 12.4813 12.4813 12.5725 12.5725 12.6574 12.6574 12.7080 12.7080 12.7555 12.7555 12.8511 12.8511 12.8964 12.8964 13.7535 13.7535 13.8463 13.8463 14.3313 14.3313 14.7495 14.7495 15.1855 15.1855 15.3253 15.3253 16.2768 16.2768 k = 0.5000 0.2887 0.8764 ( 3964 PWs) bands (ev): 0.8667 0.8667 1.1702 1.1702 1.5166 1.5166 5.3378 5.3378 6.1643 6.1643 7.0476 7.0476 7.4911 7.4911 8.2754 8.2754 8.3323 8.3323 8.6606 8.6606 8.6775 8.6775 9.1504 9.1504 10.2915 10.2915 10.3343 10.3343 10.3932 10.3932 10.4376 10.4376 10.4705 10.4705 10.5389 10.5389 10.5975 10.5975 10.9133 10.9133 11.0381 11.0381 11.1560 11.1560 11.3037 11.3037 11.3136 11.3136 11.4899 11.4899 11.5389 11.5389 12.0026 12.0026 12.2690 12.2690 12.4128 12.4128 12.4813 12.4813 12.5725 12.5725 12.6574 12.6574 12.7080 12.7080 12.7555 12.7555 12.8511 12.8511 12.8964 12.8964 13.7535 13.7535 13.8463 13.8463 14.3313 14.3313 14.7495 14.7495 15.1855 15.1855 15.3253 15.3253 16.2768 16.2768 k = 0.4907 0.3047 0.8764 ( 3972 PWs) bands (ev): 0.8667 0.8667 1.1708 1.1708 1.5160 1.5160 5.3364 5.3364 6.1653 6.1653 7.0444 7.0444 7.4942 7.4942 8.2780 8.2780 8.3315 8.3315 8.6600 8.6600 8.6756 8.6756 9.1517 9.1517 10.2922 10.2922 10.3342 10.3342 10.3894 10.3894 10.4409 10.4409 10.4709 10.4709 10.5384 10.5384 10.5973 10.5973 10.9130 10.9130 11.0378 11.0378 11.1559 11.1559 11.3037 11.3037 11.3136 11.3136 11.4899 11.4899 11.5388 11.5388 12.0023 12.0023 12.2695 12.2695 12.4129 12.4129 12.4810 12.4810 12.5729 12.5729 12.6574 12.6574 12.7080 12.7080 12.7554 12.7554 12.8508 12.8508 12.8959 12.8959 13.7540 13.7540 13.8489 13.8489 14.3301 14.3301 14.7436 14.7436 15.1826 15.1826 15.3334 15.3334 16.2643 16.2643 k = 0.4815 0.3208 0.8764 ( 3960 PWs) bands (ev): 0.8669 0.8669 1.1726 1.1726 1.5146 1.5146 5.3322 5.3322 6.1684 6.1684 7.0349 7.0349 7.5035 7.5035 8.2854 8.2854 8.3295 8.3295 8.6577 8.6577 8.6707 8.6707 9.1557 9.1557 10.2943 10.2943 10.3341 10.3341 10.3809 10.3809 10.4486 10.4486 10.4722 10.4722 10.5367 10.5367 10.5967 10.5967 10.9122 10.9122 11.0372 11.0372 11.1558 11.1558 11.3038 11.3038 11.3136 11.3136 11.4901 11.4901 11.5387 11.5387 12.0013 12.0013 12.2710 12.2710 12.4135 12.4135 12.4804 12.4804 12.5746 12.5746 12.6578 12.6578 12.7082 12.7082 12.7552 12.7552 12.8503 12.8503 12.8945 12.8945 13.7559 13.7559 13.8571 13.8571 14.3267 14.3267 14.7268 14.7268 15.1742 15.1742 15.3568 15.3568 16.2297 16.2297 k = 0.4722 0.3368 0.8764 ( 3964 PWs) bands (ev): 0.8671 0.8671 1.1756 1.1756 1.5121 1.5121 5.3255 5.3255 6.1736 6.1736 7.0194 7.0194 7.5186 7.5186 8.2968 8.2968 8.3267 8.3267 8.6511 8.6511 8.6655 8.6655 9.1620 9.1620 10.2976 10.2976 10.3333 10.3333 10.3710 10.3710 10.4574 10.4574 10.4744 10.4744 10.5340 10.5340 10.5958 10.5958 10.9107 10.9107 11.0360 11.0360 11.1554 11.1554 11.3038 11.3038 11.3136 11.3136 11.4903 11.4903 11.5383 11.5383 11.9997 11.9997 12.2733 12.2733 12.4144 12.4144 12.4794 12.4794 12.5772 12.5772 12.6584 12.6584 12.7082 12.7082 12.7547 12.7547 12.8495 12.8495 12.8921 12.8921 13.7588 13.7588 13.8705 13.8705 14.3212 14.3212 14.7016 14.7016 15.1604 15.1604 15.3928 15.3928 16.1794 16.1794 k = 0.4630 0.3528 0.8764 ( 3964 PWs) bands (ev): 0.8675 0.8675 1.1797 1.1797 1.5086 1.5086 5.3164 5.3164 6.1808 6.1808 6.9985 6.9985 7.5395 7.5395 8.3079 8.3079 8.3268 8.3268 8.6384 8.6384 8.6624 8.6624 9.1701 9.1701 10.3016 10.3016 10.3310 10.3310 10.3625 10.3625 10.4653 10.4653 10.4782 10.4782 10.5304 10.5304 10.5945 10.5945 10.9086 10.9086 11.0343 11.0343 11.1549 11.1549 11.3037 11.3037 11.3137 11.3137 11.4907 11.4907 11.5378 11.5378 11.9976 11.9976 12.2764 12.2764 12.4155 12.4155 12.4779 12.4779 12.5809 12.5809 12.6592 12.6592 12.7084 12.7084 12.7542 12.7542 12.8482 12.8482 12.8890 12.8890 13.7631 13.7631 13.8892 13.8892 14.3137 14.3137 14.6706 14.6706 15.1414 15.1414 15.4385 15.4385 16.1199 16.1199 k = 0.4537 0.3689 0.8764 ( 3968 PWs) bands (ev): 0.8679 0.8679 1.1850 1.1850 1.5042 1.5042 5.3053 5.3053 6.1901 6.1901 6.9728 6.9728 7.5656 7.5656 8.3074 8.3074 8.3404 8.3404 8.6213 8.6213 8.6600 8.6600 9.1798 9.1798 10.3047 10.3047 10.3273 10.3273 10.3574 10.3574 10.4711 10.4711 10.4840 10.4840 10.5260 10.5260 10.5929 10.5929 10.9060 10.9060 11.0323 11.0323 11.1543 11.1543 11.3035 11.3035 11.3140 11.3140 11.4912 11.4912 11.5371 11.5371 11.9950 11.9950 12.2803 12.2803 12.4170 12.4170 12.4761 12.4761 12.5852 12.5852 12.6601 12.6601 12.7085 12.7085 12.7535 12.7535 12.8467 12.8467 12.8852 12.8852 13.7685 13.7685 13.9131 13.9131 14.3044 14.3044 14.6363 14.6363 15.1176 15.1176 15.4911 15.4911 16.0556 16.0556 k = 0.4444 0.3849 0.8764 ( 3958 PWs) bands (ev): 0.8684 0.8684 1.1914 1.1914 1.4987 1.4987 5.2926 5.2926 6.2014 6.2014 6.9431 6.9431 7.5966 7.5966 8.3003 8.3003 8.3617 8.3617 8.6009 8.6009 8.6578 8.6578 9.1905 9.1905 10.3024 10.3024 10.3267 10.3267 10.3563 10.3563 10.4755 10.4755 10.4906 10.4906 10.5213 10.5213 10.5911 10.5911 10.9029 10.9029 11.0300 11.0300 11.1535 11.1535 11.3031 11.3031 11.3145 11.3145 11.4919 11.4919 11.5363 11.5363 11.9921 11.9921 12.2849 12.2849 12.4188 12.4188 12.4740 12.4740 12.5903 12.5903 12.6612 12.6612 12.7086 12.7086 12.7527 12.7527 12.8450 12.8450 12.8808 12.8808 13.7754 13.7754 13.9421 13.9421 14.2936 14.2936 14.6004 14.6004 15.0893 15.0893 15.5484 15.5484 15.9897 15.9897 k = 0.4352 0.4009 0.8764 ( 3946 PWs) bands (ev): 0.8690 0.8690 1.1990 1.1990 1.4922 1.4922 5.2787 5.2787 6.2148 6.2148 6.9101 6.9101 7.6320 7.6320 8.2910 8.2910 8.3858 8.3858 8.5780 8.5780 8.6556 8.6556 9.2019 9.2019 10.2934 10.2934 10.3319 10.3319 10.3576 10.3576 10.4793 10.4793 10.4961 10.4961 10.5174 10.5174 10.5889 10.5889 10.8994 10.8994 11.0273 11.0273 11.1527 11.1527 11.3025 11.3025 11.3152 11.3152 11.4928 11.4928 11.5354 11.5354 11.9891 11.9891 12.2902 12.2902 12.4208 12.4208 12.4717 12.4717 12.5960 12.5960 12.6624 12.6624 12.7087 12.7087 12.7520 12.7520 12.8431 12.8431 12.8761 12.8761 13.7835 13.7835 13.9758 13.9758 14.2817 14.2817 14.5640 14.5640 15.0569 15.0569 15.6085 15.6085 15.9242 15.9242 k = 0.4259 0.4170 0.8764 ( 3946 PWs) bands (ev): 0.8696 0.8696 1.2077 1.2077 1.4846 1.4846 5.2641 5.2641 6.2302 6.2302 6.8745 6.8745 7.6710 7.6710 8.2802 8.2802 8.4109 8.4109 8.5531 8.5531 8.6530 8.6530 9.2135 9.2135 10.2817 10.2817 10.3397 10.3397 10.3605 10.3605 10.4823 10.4823 10.4980 10.4980 10.5165 10.5165 10.5865 10.5865 10.8954 10.8955 11.0244 11.0244 11.1517 11.1517 11.3016 11.3016 11.3161 11.3161 11.4938 11.4938 11.5342 11.5342 11.9860 11.9860 12.2958 12.2958 12.4230 12.4230 12.4691 12.4691 12.6021 12.6021 12.6636 12.6636 12.7085 12.7085 12.7512 12.7512 12.8409 12.8409 12.8710 12.8710 13.7928 13.7928 14.0142 14.0142 14.2690 14.2690 14.5280 14.5280 15.0209 15.0209 15.6698 15.6698 15.8603 15.8603 k = 0.4167 0.4330 0.8764 ( 3946 PWs) bands (ev): 0.8703 0.8703 1.2175 1.2175 1.4759 1.4759 5.2493 5.2493 6.2475 6.2475 6.8369 6.8369 7.7132 7.7132 8.2684 8.2684 8.4358 8.4359 8.5269 8.5269 8.6504 8.6504 9.2250 9.2250 10.2695 10.2695 10.3483 10.3483 10.3646 10.3646 10.4832 10.4832 10.4972 10.4972 10.5194 10.5194 10.5838 10.5838 10.8913 10.8913 11.0213 11.0213 11.1506 11.1506 11.3006 11.3006 11.3172 11.3172 11.4950 11.4950 11.5328 11.5328 11.9829 11.9829 12.3018 12.3018 12.4253 12.4253 12.4663 12.4663 12.6084 12.6084 12.6648 12.6648 12.7081 12.7081 12.7504 12.7504 12.8385 12.8385 12.8660 12.8660 13.8034 13.8034 14.0568 14.0568 14.2559 14.2559 14.4928 14.4928 14.9817 14.9817 15.7305 15.7305 15.7995 15.7995 k = 0.4074 0.4491 0.8764 ( 3950 PWs) bands (ev): 0.8710 0.8710 1.2284 1.2284 1.4662 1.4662 5.2346 5.2346 6.2668 6.2668 6.7980 6.7980 7.7578 7.7578 8.2557 8.2557 8.4583 8.4583 8.5014 8.5014 8.6476 8.6476 9.2361 9.2361 10.2576 10.2576 10.3569 10.3569 10.3700 10.3700 10.4797 10.4797 10.4985 10.4985 10.5236 10.5236 10.5808 10.5808 10.8870 10.8870 11.0179 11.0179 11.1495 11.1495 11.2995 11.2995 11.3182 11.3182 11.4964 11.4964 11.5312 11.5312 11.9799 11.9799 12.3078 12.3078 12.4278 12.4278 12.4634 12.4634 12.6149 12.6149 12.6660 12.6660 12.7073 12.7073 12.7497 12.7497 12.8359 12.8359 12.8610 12.8610 13.8151 13.8151 14.1034 14.1034 14.2432 14.2432 14.4588 14.4588 14.9399 14.9399 15.7390 15.7390 15.7926 15.7926 k = 0.3981 0.4651 0.8764 ( 3946 PWs) bands (ev): 0.8716 0.8716 1.2403 1.2403 1.4554 1.4554 5.2205 5.2205 6.2881 6.2881 6.7583 6.7583 7.8042 7.8042 8.2424 8.2424 8.4601 8.4601 8.4942 8.4942 8.6447 8.6447 9.2465 9.2465 10.2463 10.2463 10.3647 10.3647 10.3768 10.3768 10.4731 10.4731 10.5022 10.5022 10.5277 10.5277 10.5776 10.5776 10.8827 10.8827 11.0146 11.0146 11.1484 11.1484 11.2984 11.2984 11.3193 11.3193 11.4981 11.4981 11.5295 11.5295 11.9772 11.9772 12.3139 12.3139 12.4304 12.4304 12.4605 12.4605 12.6214 12.6214 12.6672 12.6672 12.7061 12.7061 12.7493 12.7493 12.8332 12.8332 12.8562 12.8562 13.8278 13.8278 14.1530 14.1530 14.2317 14.2317 14.4263 14.4263 14.8957 14.8957 15.6854 15.6854 15.8490 15.8490 k = 0.3889 0.4811 0.8764 ( 3946 PWs) bands (ev): 0.8723 0.8723 1.2532 1.2532 1.4436 1.4436 5.2074 5.2074 6.3113 6.3113 6.7183 6.7183 7.8514 7.8514 8.2289 8.2289 8.4343 8.4343 8.5119 8.5119 8.6420 8.6420 9.2561 9.2561 10.2361 10.2361 10.3717 10.3717 10.3846 10.3846 10.4653 10.4653 10.5068 10.5068 10.5313 10.5313 10.5742 10.5742 10.8786 10.8786 11.0111 11.0111 11.1473 11.1473 11.2973 11.2973 11.3203 11.3203 11.4999 11.4999 11.5276 11.5276 11.9747 11.9747 12.3198 12.3198 12.4330 12.4330 12.4575 12.4575 12.6277 12.6277 12.6685 12.6685 12.7043 12.7043 12.7492 12.7492 12.8305 12.8305 12.8519 12.8519 13.8410 13.8410 14.1993 14.1993 14.2278 14.2278 14.3955 14.3955 14.8498 14.8498 15.6353 15.6353 15.9021 15.9021 k = 0.3796 0.4972 0.8764 ( 3960 PWs) bands (ev): 0.8729 0.8729 1.2671 1.2671 1.4306 1.4306 5.1955 5.1955 6.3363 6.3363 6.6783 6.6783 7.8986 7.8986 8.2159 8.2159 8.4046 8.4046 8.5305 8.5305 8.6394 8.6394 9.2645 9.2645 10.2271 10.2271 10.3782 10.3782 10.3926 10.3926 10.4570 10.4570 10.5117 10.5117 10.5341 10.5341 10.5705 10.5705 10.8747 10.8747 11.0076 11.0076 11.1462 11.1462 11.2961 11.2961 11.3211 11.3211 11.5019 11.5019 11.5256 11.5256 11.9725 11.9725 12.3252 12.3252 12.4356 12.4356 12.4547 12.4547 12.6336 12.6336 12.6699 12.6699 12.7019 12.7019 12.7492 12.7492 12.8277 12.8277 12.8481 12.8481 13.8545 13.8545 14.2059 14.2059 14.2677 14.2677 14.3670 14.3670 14.8024 14.8024 15.5900 15.5900 15.9501 15.9501 k = 0.3704 0.5132 0.8764 ( 3956 PWs) bands (ev): 0.8734 0.8734 1.2820 1.2820 1.4165 1.4165 5.1854 5.1854 6.3632 6.3632 6.6387 6.6387 7.9442 7.9442 8.2042 8.2042 8.3741 8.3741 8.5467 8.5467 8.6373 8.6373 9.2717 9.2717 10.2196 10.2196 10.3847 10.3847 10.4001 10.4001 10.4488 10.4488 10.5169 10.5169 10.5364 10.5364 10.5667 10.5667 10.8715 10.8715 11.0045 11.0045 11.1452 11.1452 11.2951 11.2951 11.3218 11.3218 11.5041 11.5041 11.5233 11.5233 11.9708 11.9708 12.3300 12.3300 12.4380 12.4380 12.4520 12.4520 12.6388 12.6388 12.6716 12.6716 12.6991 12.6991 12.7496 12.7496 12.8252 12.8252 12.8451 12.8451 13.8674 13.8674 14.2015 14.2015 14.3159 14.3159 14.3478 14.3478 14.7541 14.7541 15.5502 15.5502 15.9916 15.9916 k = 0.3611 0.5292 0.8764 ( 3960 PWs) bands (ev): 0.8739 0.8739 1.2977 1.2977 1.4014 1.4014 5.1771 5.1771 6.3919 6.3919 6.5998 6.5998 7.9860 7.9860 8.1957 8.1957 8.3436 8.3436 8.5595 8.5595 8.6359 8.6359 9.2775 9.2775 10.2136 10.2136 10.3912 10.3912 10.4064 10.4064 10.4409 10.4409 10.5217 10.5217 10.5381 10.5381 10.5627 10.5627 10.8689 10.8689 11.0017 11.0017 11.1445 11.1445 11.2943 11.2943 11.3224 11.3224 11.5064 11.5064 11.5211 11.5211 11.9695 11.9695 12.3340 12.3340 12.4403 12.4403 12.4497 12.4497 12.6431 12.6431 12.6738 12.6738 12.6958 12.6958 12.7500 12.7500 12.8228 12.8228 12.8426 12.8426 13.8789 13.8789 14.2002 14.2002 14.3072 14.3072 14.3889 14.3889 14.7051 14.7051 15.5169 15.5169 16.0255 16.0255 k = 0.3519 0.5453 0.8764 ( 3976 PWs) bands (ev): 0.8742 0.8742 1.3143 1.3143 1.3853 1.3853 5.1709 5.1709 6.4222 6.4222 6.5619 6.5619 8.0200 8.0200 8.1933 8.1933 8.3141 8.3141 8.5683 8.5683 8.6353 8.6353 9.2817 9.2817 10.2093 10.2093 10.3974 10.3974 10.4113 10.4113 10.4334 10.4334 10.5259 10.5259 10.5398 10.5398 10.5588 10.5588 10.8669 10.8669 10.9993 10.9993 11.1438 11.1438 11.2937 11.2937 11.3228 11.3228 11.5087 11.5087 11.5187 11.5187 11.9685 11.9685 12.3368 12.3368 12.4422 12.4422 12.4477 12.4477 12.6461 12.6461 12.6765 12.6765 12.6920 12.6920 12.7506 12.7506 12.8209 12.8209 12.8408 12.8408 13.8880 13.8880 14.2038 14.2038 14.2840 14.2840 14.4456 14.4456 14.6560 14.6560 15.4911 15.4911 16.0507 16.0507 k = 0.3426 0.5613 0.8764 ( 3976 PWs) bands (ev): 0.8744 0.8744 1.3318 1.3318 1.3681 1.3681 5.1672 5.1672 6.4539 6.4539 6.5256 6.5256 8.0411 8.0411 8.1996 8.1996 8.2879 8.2879 8.5732 8.5732 8.6354 8.6354 9.2843 9.2843 10.2067 10.2067 10.4028 10.4028 10.4145 10.4145 10.4271 10.4271 10.5288 10.5288 10.5416 10.5416 10.5553 10.5553 10.8658 10.8658 10.9978 10.9978 11.1435 11.1435 11.2933 11.2933 11.3230 11.3230 11.5110 11.5110 11.5164 11.5164 11.9679 11.9679 12.3387 12.3387 12.4438 12.4438 12.4462 12.4462 12.6479 12.6479 12.6797 12.6797 12.6882 12.6882 12.7510 12.7510 12.8196 12.8196 12.8397 12.8397 13.8938 13.8938 14.2130 14.2130 14.2624 14.2624 14.5002 14.5002 14.6079 14.6079 15.4743 15.4743 16.0663 16.0663 k = 0.3333 0.5774 0.8764 ( 3972 PWs) bands (ev): 0.8745 0.8745 1.3500 1.3500 1.3500 1.3500 5.1659 5.1659 6.4801 6.4801 6.4978 6.4978 8.0475 8.0475 8.2070 8.2070 8.2746 8.2746 8.5747 8.5747 8.6356 8.6356 9.2852 9.2852 10.2059 10.2059 10.4054 10.4054 10.4157 10.4157 10.4242 10.4242 10.5298 10.5298 10.5428 10.5428 10.5536 10.5536 10.8655 10.8655 10.9973 10.9973 11.1433 11.1433 11.2932 11.2932 11.3231 11.3231 11.5126 11.5126 11.5149 11.5149 11.9678 11.9678 12.3393 12.3393 12.4447 12.4447 12.4454 12.4454 12.6485 12.6485 12.6820 12.6820 12.6857 12.6857 12.7512 12.7512 12.8192 12.8192 12.8393 12.8393 13.8957 13.8957 14.2216 14.2216 14.2495 14.2495 14.5375 14.5375 14.5732 14.5732 15.4683 15.4683 16.0716 16.0716 k = 0.3333 0.5774 0.8764 ( 3972 PWs) bands (ev): 0.8745 0.8745 1.3500 1.3500 1.3500 1.3500 5.1659 5.1659 6.4801 6.4801 6.4978 6.4978 8.0475 8.0475 8.2070 8.2070 8.2746 8.2746 8.5747 8.5747 8.6356 8.6356 9.2852 9.2852 10.2059 10.2059 10.4054 10.4054 10.4157 10.4157 10.4242 10.4242 10.5298 10.5298 10.5428 10.5428 10.5536 10.5536 10.8655 10.8655 10.9973 10.9973 11.1433 11.1433 11.2932 11.2932 11.3231 11.3231 11.5126 11.5126 11.5149 11.5149 11.9678 11.9678 12.3393 12.3393 12.4447 12.4447 12.4454 12.4454 12.6485 12.6485 12.6820 12.6820 12.6857 12.6857 12.7512 12.7512 12.8192 12.8192 12.8393 12.8393 13.8957 13.8957 14.2216 14.2216 14.2495 14.2495 14.5375 14.5375 14.5732 14.5732 15.4683 15.4683 16.0716 16.0716 k = 0.3238 0.5609 0.8764 ( 3976 PWs) bands (ev): 0.8744 0.8744 1.3304 1.3304 1.3695 1.3695 5.1673 5.1673 6.4530 6.4530 6.5267 6.5267 8.0426 8.0426 8.1948 8.1948 8.2911 8.2911 8.5734 8.5734 8.6351 8.6351 9.2842 9.2842 10.2067 10.2067 10.4026 10.4026 10.4146 10.4146 10.4271 10.4271 10.5289 10.5289 10.5411 10.5411 10.5556 10.5556 10.8658 10.8658 10.9979 10.9979 11.1435 11.1435 11.2933 11.2933 11.3230 11.3230 11.5110 11.5110 11.5164 11.5164 11.9679 11.9679 12.3387 12.3387 12.4441 12.4441 12.4458 12.4458 12.6479 12.6479 12.6796 12.6796 12.6883 12.6883 12.7509 12.7509 12.8196 12.8196 12.8398 12.8398 13.8937 13.8937 14.2097 14.2097 14.2657 14.2657 14.5019 14.5019 14.6053 14.6053 15.4753 15.4753 16.0659 16.0659 k = 0.3143 0.5444 0.8764 ( 3964 PWs) bands (ev): 0.8741 0.8741 1.3099 1.3099 1.3897 1.3897 5.1715 5.1715 6.4203 6.4203 6.5645 6.5645 8.0313 8.0313 8.1695 8.1695 8.3264 8.3264 8.5701 8.5701 8.6332 8.6332 9.2814 9.2814 10.2093 10.2093 10.3967 10.3967 10.4117 10.4117 10.4331 10.4331 10.5267 10.5267 10.5377 10.5377 10.5602 10.5602 10.8669 10.8669 11.0001 11.0001 11.1440 11.1440 11.2938 11.2938 11.3229 11.3229 11.5087 11.5087 11.5187 11.5187 11.9685 11.9685 12.3369 12.3369 12.4436 12.4436 12.4459 12.4459 12.6461 12.6461 12.6767 12.6767 12.6920 12.6920 12.7502 12.7502 12.8209 12.8209 12.8413 12.8413 13.8882 13.8882 14.1905 14.1905 14.2976 14.2976 14.4539 14.4539 14.6415 14.6415 15.4975 15.4975 16.0487 16.0487 k = 0.3048 0.5279 0.8764 ( 3960 PWs) bands (ev): 0.8737 0.8737 1.2886 1.2886 1.4105 1.4105 5.1787 5.1787 6.3892 6.3892 6.6042 6.6042 8.0165 8.0165 8.1410 8.1410 8.3671 8.3671 8.5653 8.5653 8.6294 8.6294 9.2765 9.2765 10.2134 10.2134 10.3896 10.3896 10.4070 10.4070 10.4398 10.4398 10.5233 10.5233 10.5341 10.5341 10.5657 10.5657 10.8685 10.8685 11.0040 11.0040 11.1447 11.1447 11.2947 11.2947 11.3225 11.3225 11.5062 11.5062 11.5208 11.5208 11.9693 11.9693 12.3340 12.3340 12.4426 12.4426 12.4456 12.4456 12.6432 12.6432 12.6745 12.6745 12.6954 12.6954 12.7490 12.7490 12.8226 12.8226 12.8441 12.8441 13.8797 13.8797 14.1710 14.1710 14.3361 14.3361 14.4072 14.4072 14.6680 14.6680 15.5356 15.5356 16.0204 16.0204 k = 0.2952 0.5114 0.8764 ( 3968 PWs) bands (ev): 0.8730 0.8730 1.2665 1.2665 1.4320 1.4320 5.1889 5.1889 6.3599 6.3599 6.6455 6.6455 8.0000 8.0000 8.1120 8.1120 8.4089 8.4089 8.5592 8.5592 8.6237 8.6237 9.2698 9.2698 10.2188 10.2188 10.3815 10.3815 10.4007 10.4007 10.4465 10.4465 10.5188 10.5188 10.5307 10.5307 10.5713 10.5713 10.8707 10.8707 11.0094 11.0094 11.1457 11.1457 11.2958 11.2958 11.3221 11.3221 11.5038 11.5038 11.5226 11.5226 11.9703 11.9703 12.3301 12.3301 12.4409 12.4409 12.4451 12.4451 12.6392 12.6392 12.6730 12.6730 12.6983 12.6983 12.7473 12.7473 12.8243 12.8243 12.8485 12.8485 13.8689 13.8689 14.1518 14.1518 14.3504 14.3504 14.3917 14.3917 14.6838 14.6838 15.5893 15.5893 15.9815 15.9815 k = 0.2857 0.4949 0.8764 ( 3968 PWs) bands (ev): 0.8720 0.8720 1.2437 1.2437 1.4539 1.4539 5.2020 5.2020 6.3326 6.3326 6.6884 6.6884 7.9827 7.9827 8.0834 8.0834 8.4500 8.4500 8.5521 8.5521 8.6163 8.6163 9.2611 9.2611 10.2252 10.2252 10.3727 10.3727 10.3934 10.3934 10.4529 10.4529 10.5137 10.5137 10.5276 10.5276 10.5770 10.5770 10.8736 10.8736 11.0166 11.0166 11.1471 11.1471 11.2972 11.2972 11.3216 11.3216 11.5015 11.5015 11.5242 11.5242 11.9715 11.9715 12.3254 12.3254 12.4382 12.4382 12.4446 12.4446 12.6344 12.6344 12.6722 12.6722 12.7007 12.7007 12.7452 12.7452 12.8258 12.8258 12.8548 12.8548 13.8564 13.8564 14.1331 14.1331 14.3084 14.3084 14.4390 14.4390 14.6897 14.6897 15.6568 15.6568 15.9332 15.9332 k = 0.2762 0.4784 0.8764 ( 3968 PWs) bands (ev): 0.8709 0.8709 1.2204 1.2204 1.4763 1.4763 5.2180 5.2180 6.3074 6.3074 6.7326 6.7326 7.9649 7.9649 8.0557 8.0557 8.4895 8.4895 8.5439 8.5439 8.6076 8.6076 9.2506 9.2506 10.2325 10.2325 10.3627 10.3627 10.3851 10.3851 10.4586 10.4586 10.5082 10.5082 10.5249 10.5249 10.5828 10.5828 10.8773 10.8773 11.0253 11.0253 11.1488 11.1488 11.2990 11.2990 11.3212 11.3212 11.4992 11.4992 11.5254 11.5254 11.9729 11.9729 12.3201 12.3201 12.4344 12.4344 12.4440 12.4440 12.6291 12.6291 12.6720 12.6720 12.7023 12.7023 12.7429 12.7429 12.8271 12.8271 12.8628 12.8628 13.8427 13.8427 14.1147 14.1147 14.2640 14.2640 14.4942 14.4942 14.6872 14.6872 15.7354 15.7354 15.8767 15.8767 k = 0.2667 0.4619 0.8764 ( 3956 PWs) bands (ev): 0.8695 0.8695 1.1966 1.1966 1.4990 1.4990 5.2368 5.2368 6.2843 6.2843 6.7782 6.7782 7.9470 7.9470 8.0290 8.0290 8.5258 8.5258 8.5350 8.5350 8.5984 8.5984 9.2383 9.2383 10.2402 10.2402 10.3515 10.3515 10.3764 10.3764 10.4631 10.4631 10.5027 10.5027 10.5227 10.5227 10.5884 10.5884 10.8821 10.8821 11.0353 11.0353 11.1508 11.1508 11.3010 11.3010 11.3208 11.3208 11.4971 11.4971 11.5263 11.5263 11.9746 11.9746 12.3144 12.3144 12.4298 12.4298 12.4432 12.4432 12.6234 12.6234 12.6720 12.6720 12.7032 12.7032 12.7404 12.7404 12.8284 12.8284 12.8724 12.8724 13.8280 13.8280 14.0966 14.0966 14.2208 14.2208 14.5529 14.5529 14.6781 14.6781 15.8076 15.8076 15.8279 15.8279 k = 0.2571 0.4454 0.8764 ( 3956 PWs) bands (ev): 0.8679 0.8679 1.1724 1.1724 1.5220 1.5220 5.2584 5.2584 6.2633 6.2633 6.8249 6.8249 7.9293 7.9293 8.0036 8.0036 8.5229 8.5229 8.5577 8.5577 8.5924 8.5924 9.2243 9.2243 10.2482 10.2482 10.3391 10.3391 10.3672 10.3672 10.4658 10.4658 10.4977 10.4977 10.5210 10.5210 10.5940 10.5940 10.8881 10.8881 11.0466 11.0466 11.1530 11.1530 11.3031 11.3031 11.3208 11.3208 11.4950 11.4950 11.5268 11.5268 11.9762 11.9762 12.3084 12.3084 12.4241 12.4241 12.4421 12.4421 12.6174 12.6174 12.6718 12.6718 12.7033 12.7033 12.7377 12.7377 12.8299 12.8299 12.8832 12.8832 13.8125 13.8125 14.0783 14.0783 14.1792 14.1792 14.6132 14.6132 14.6646 14.6646 15.7433 15.7433 15.9151 15.9151 k = 0.2476 0.4289 0.8764 ( 3956 PWs) bands (ev): 0.8660 0.8660 1.1480 1.1480 1.5453 1.5453 5.2826 5.2826 6.2444 6.2444 6.8728 6.8728 7.9118 7.9118 7.9795 7.9795 8.5102 8.5102 8.5659 8.5659 8.6064 8.6064 9.2086 9.2086 10.2559 10.2559 10.3257 10.3257 10.3574 10.3574 10.4660 10.4660 10.4938 10.4938 10.5199 10.5199 10.5994 10.5994 10.8955 10.8955 11.0587 11.0587 11.1554 11.1554 11.3051 11.3051 11.3211 11.3211 11.4929 11.4929 11.5268 11.5268 11.9779 11.9779 12.3021 12.3021 12.4175 12.4175 12.4406 12.4406 12.6114 12.6114 12.6711 12.6711 12.7024 12.7024 12.7349 12.7349 12.8318 12.8318 12.8951 12.8951 13.7963 13.7963 14.0597 14.0597 14.1395 14.1395 14.6417 14.6417 14.6799 14.6799 15.6710 15.6710 16.0080 16.0080 k = 0.2381 0.4124 0.8764 ( 3960 PWs) bands (ev): 0.8639 0.8639 1.1234 1.1234 1.5687 1.5687 5.3093 5.3093 6.2276 6.2276 6.9217 6.9217 7.8948 7.8948 7.9570 7.9570 8.4957 8.4957 8.5580 8.5580 8.6339 8.6339 9.1915 9.1915 10.2629 10.2629 10.3117 10.3117 10.3470 10.3470 10.4631 10.4631 10.4914 10.4914 10.5198 10.5198 10.6047 10.6047 10.9045 10.9045 11.0716 11.0716 11.1581 11.1581 11.3065 11.3065 11.3222 11.3222 11.4909 11.4909 11.5264 11.5264 11.9798 11.9798 12.2957 12.2957 12.4102 12.4102 12.4388 12.4388 12.6053 12.6053 12.6697 12.6697 12.7006 12.7006 12.7321 12.7321 12.8346 12.8346 12.9079 12.9079 13.7794 13.7794 14.0404 14.0404 14.1019 14.1019 14.6215 14.6215 14.7402 14.7402 15.5961 15.5961 16.0979 16.0979 k = 0.2286 0.3959 0.8764 ( 3956 PWs) bands (ev): 0.8616 0.8616 1.0988 1.0988 1.5921 1.5921 5.3383 5.3383 6.2128 6.2128 6.9716 6.9716 7.8783 7.8783 7.9360 7.9360 8.4794 8.4794 8.5481 8.5481 8.6614 8.6614 9.1729 9.1729 10.2683 10.2683 10.2979 10.2979 10.3361 10.3361 10.4575 10.4575 10.4900 10.4900 10.5207 10.5207 10.6099 10.6099 10.9152 10.9152 11.0851 11.0851 11.1611 11.1611 11.3073 11.3073 11.3244 11.3244 11.4891 11.4891 11.5256 11.5256 11.9817 11.9817 12.2893 12.2893 12.4023 12.4023 12.4368 12.4368 12.5992 12.5992 12.6673 12.6673 12.6977 12.6977 12.7290 12.7290 12.8386 12.8386 12.9215 12.9215 13.7621 13.7621 14.0199 14.0199 14.0668 14.0668 14.5972 14.5972 14.7997 14.7997 15.5203 15.5203 16.1797 16.1797 k = 0.2190 0.3794 0.8764 ( 3956 PWs) bands (ev): 0.8591 0.8591 1.0743 1.0743 1.6155 1.6155 5.3695 5.3695 6.2001 6.2001 7.0222 7.0222 7.8625 7.8625 7.9168 7.9168 8.4615 8.4615 8.5380 8.5380 8.6866 8.6866 9.1530 9.1530 10.2689 10.2689 10.2872 10.2872 10.3248 10.3248 10.4503 10.4503 10.4885 10.4885 10.5226 10.5226 10.6150 10.6150 10.9276 10.9276 11.0989 11.0989 11.1644 11.1644 11.3074 11.3074 11.3277 11.3277 11.4874 11.4874 11.5245 11.5245 11.9836 11.9836 12.2829 12.2829 12.3940 12.3940 12.4346 12.4346 12.5931 12.5931 12.6640 12.6640 12.6936 12.6936 12.7256 12.7256 12.8439 12.8439 12.9356 12.9356 13.7442 13.7442 13.9975 13.9975 14.0349 14.0349 14.5706 14.5706 14.8551 14.8551 15.4447 15.4447 16.2470 16.2470 k = 0.2095 0.3629 0.8764 ( 3954 PWs) bands (ev): 0.8564 0.8564 1.0499 1.0499 1.6388 1.6388 5.4027 5.4027 6.1892 6.1892 7.0735 7.0735 7.8474 7.8474 7.8992 7.8992 8.4424 8.4424 8.5279 8.5279 8.7092 8.7092 9.1319 9.1319 10.2594 10.2594 10.2844 10.2844 10.3136 10.3136 10.4420 10.4420 10.4864 10.4864 10.5258 10.5258 10.6202 10.6202 10.9416 10.9416 11.1128 11.1128 11.1680 11.1680 11.3070 11.3070 11.3317 11.3317 11.4859 11.4859 11.5230 11.5230 11.9855 11.9855 12.2767 12.2767 12.3852 12.3852 12.4322 12.4322 12.5870 12.5870 12.6596 12.6596 12.6884 12.6884 12.7216 12.7216 12.8510 12.8510 12.9502 12.9502 13.7258 13.7258 13.9726 13.9726 14.0065 14.0065 14.5420 14.5420 14.9042 14.9042 15.3704 15.3704 16.2933 16.2933 k = 0.2000 0.3464 0.8764 ( 3958 PWs) bands (ev): 0.8535 0.8535 1.0259 1.0259 1.6618 1.6618 5.4376 5.4376 6.1802 6.1802 7.1253 7.1253 7.8333 7.8333 7.8835 7.8835 8.4224 8.4224 8.5178 8.5178 8.7290 8.7290 9.1097 9.1097 10.2451 10.2451 10.2823 10.2823 10.3044 10.3044 10.4329 10.4329 10.4832 10.4832 10.5303 10.5303 10.6252 10.6252 10.9572 10.9572 11.1264 11.1264 11.1723 11.1723 11.3062 11.3062 11.3363 11.3363 11.4846 11.4846 11.5213 11.5213 11.9874 11.9874 12.2706 12.2706 12.3761 12.3761 12.4295 12.4295 12.5808 12.5808 12.6541 12.6541 12.6819 12.6819 12.7167 12.7167 12.8599 12.8599 12.9653 12.9653 13.7068 13.7068 13.9456 13.9456 13.9811 13.9811 14.5116 14.5116 14.9445 14.9445 15.2984 15.2984 16.3139 16.3139 k = 0.1905 0.3299 0.8764 ( 3944 PWs) bands (ev): 0.8505 0.8505 1.0022 1.0022 1.6846 1.6846 5.4740 5.4740 6.1729 6.1729 7.1776 7.1776 7.8203 7.8203 7.8695 7.8695 8.4018 8.4018 8.5076 8.5076 8.7461 8.7461 9.0866 9.0866 10.2298 10.2298 10.2747 10.2747 10.3002 10.3002 10.4233 10.4233 10.4788 10.4788 10.5361 10.5361 10.6302 10.6302 10.9741 10.9741 11.1391 11.1391 11.1777 11.1777 11.3052 11.3052 11.3414 11.3414 11.4835 11.4835 11.5196 11.5196 11.9894 11.9894 12.2649 12.2649 12.3670 12.3670 12.4269 12.4269 12.5747 12.5747 12.6477 12.6477 12.6743 12.6743 12.7109 12.7109 12.8708 12.8708 12.9808 12.9808 13.6872 13.6872 13.9179 13.9179 13.9572 13.9572 14.4796 14.4796 14.9742 14.9742 15.2295 15.2295 16.3083 16.3083 k = 0.1810 0.3134 0.8764 ( 3942 PWs) bands (ev): 0.8474 0.8474 0.9791 0.9791 1.7069 1.7069 5.5116 5.5116 6.1673 6.1673 7.2301 7.2301 7.8084 7.8084 7.8572 7.8572 8.3810 8.3810 8.4972 8.4972 8.7603 8.7603 9.0627 9.0627 10.2144 10.2144 10.2625 10.2625 10.2992 10.2992 10.4134 10.4134 10.4731 10.4731 10.5428 10.5428 10.6351 10.6351 10.9922 10.9922 11.1500 11.1500 11.1848 11.1848 11.3040 11.3040 11.3468 11.3468 11.4827 11.4827 11.5177 11.5177 11.9913 11.9913 12.2595 12.2595 12.3579 12.3579 12.4241 12.4241 12.5685 12.5685 12.6405 12.6405 12.6657 12.6657 12.7040 12.7040 12.8833 12.8833 12.9965 12.9965 13.6671 13.6671 13.8904 13.8904 13.9337 13.9337 14.4460 14.4460 14.9920 14.9920 15.1643 15.1643 16.2806 16.2806 k = 0.1714 0.2969 0.8764 ( 3942 PWs) bands (ev): 0.8442 0.8442 0.9565 0.9565 1.7288 1.7288 5.5502 5.5502 6.1632 6.1632 7.2828 7.2828 7.7978 7.7978 7.8467 7.8467 8.3600 8.3600 8.4866 8.4866 8.7716 8.7716 9.0380 9.0380 10.1991 10.1991 10.2485 10.2485 10.2988 10.2988 10.4032 10.4032 10.4660 10.4660 10.5506 10.5506 10.6400 10.6400 11.0112 11.0112 11.1585 11.1585 11.1941 11.1941 11.3027 11.3027 11.3525 11.3525 11.4821 11.4821 11.5159 11.5159 11.9932 11.9932 12.2546 12.2546 12.3487 12.3487 12.4213 12.4213 12.5623 12.5623 12.6323 12.6323 12.6561 12.6561 12.6961 12.6961 12.8975 12.8975 13.0125 13.0125 13.6465 13.6465 13.8635 13.8635 13.9100 13.9100 14.4110 14.4110 14.9978 14.9978 15.1032 15.1032 16.2373 16.2373 k = 0.1619 0.2804 0.8764 ( 3934 PWs) bands (ev): 0.8409 0.8409 0.9346 0.9346 1.7501 1.7501 5.5895 5.5895 6.1604 6.1604 7.3354 7.3354 7.7886 7.7886 7.8379 7.8379 8.3393 8.3393 8.4755 8.4755 8.7802 8.7802 9.0129 9.0129 10.1840 10.1840 10.2338 10.2338 10.2981 10.2981 10.3929 10.3929 10.4579 10.4579 10.5591 10.5591 10.6450 10.6450 11.0309 11.0309 11.1648 11.1648 11.2055 11.2055 11.3014 11.3014 11.3584 11.3584 11.4819 11.4819 11.5143 11.5143 11.9951 11.9951 12.2501 12.2501 12.3398 12.3398 12.4185 12.4185 12.5560 12.5560 12.6234 12.6234 12.6456 12.6456 12.6872 12.6872 12.9133 12.9133 13.0286 13.0286 13.6255 13.6255 13.8375 13.8375 13.8861 13.8861 14.3746 14.3746 14.9924 14.9924 15.0468 15.0468 16.1844 16.1844 k = 0.1524 0.2639 0.8764 ( 3942 PWs) bands (ev): 0.8375 0.8375 0.9135 0.9135 1.7708 1.7708 5.6291 5.6291 6.1589 6.1589 7.3877 7.3877 7.7809 7.7809 7.8308 7.8308 8.3190 8.3190 8.4639 8.4639 8.7859 8.7859 8.9873 8.9873 10.1694 10.1694 10.2187 10.2187 10.2969 10.2969 10.3825 10.3825 10.4486 10.4486 10.5680 10.5680 10.6500 10.6500 11.0509 11.0509 11.1695 11.1695 11.2177 11.2177 11.2998 11.2998 11.3643 11.3643 11.4821 11.4821 11.5130 11.5130 11.9969 11.9969 12.2461 12.2461 12.3310 12.3310 12.4156 12.4156 12.5495 12.5495 12.6137 12.6137 12.6344 12.6344 12.6773 12.6773 12.9305 12.9305 13.0448 13.0448 13.6040 13.6040 13.8124 13.8124 13.8617 13.8617 14.3370 14.3370 14.9769 14.9769 14.9960 14.9960 16.1269 16.1269 k = 0.1429 0.2474 0.8764 ( 3934 PWs) bands (ev): 0.8342 0.8342 0.8933 0.8933 1.7907 1.7907 5.6688 5.6688 6.1585 6.1585 7.4396 7.4396 7.7749 7.7749 7.8253 7.8253 8.2992 8.2992 8.4517 8.4517 8.7889 8.7889 8.9616 8.9616 10.1553 10.1553 10.2037 10.2037 10.2953 10.2953 10.3721 10.3721 10.4385 10.4385 10.5773 10.5773 10.6551 10.6551 11.0710 11.0710 11.1736 11.1736 11.2300 11.2300 11.2983 11.2983 11.3704 11.3704 11.4829 11.4829 11.5123 11.5123 11.9988 11.9988 12.2427 12.2427 12.3226 12.3226 12.4128 12.4128 12.5429 12.5429 12.6034 12.6034 12.6227 12.6227 12.6666 12.6666 12.9490 12.9490 13.0612 13.0612 13.5825 13.5825 13.7880 13.7880 13.8371 13.8371 14.2985 14.2985 14.9447 14.9447 14.9596 14.9596 16.0680 16.0680 k = 0.1333 0.2309 0.8764 ( 3938 PWs) bands (ev): 0.8309 0.8309 0.8740 0.8740 1.8097 1.8097 5.7083 5.7083 6.1591 6.1591 7.4907 7.4907 7.7705 7.7705 7.8215 7.8215 8.2800 8.2800 8.4388 8.4388 8.7891 8.7891 8.9358 8.9358 10.1417 10.1417 10.1889 10.1889 10.2933 10.2933 10.3617 10.3617 10.4276 10.4276 10.5865 10.5865 10.6601 10.6601 11.0908 11.0908 11.1772 11.1772 11.2417 11.2417 11.2968 11.2968 11.3765 11.3765 11.4844 11.4844 11.5122 11.5122 12.0007 12.0007 12.2400 12.2400 12.3146 12.3146 12.4100 12.4100 12.5360 12.5360 12.5924 12.5924 12.6105 12.6105 12.6552 12.6552 12.9687 12.9687 13.0775 13.0775 13.5608 13.5608 13.7643 13.7643 13.8125 13.8125 14.2591 14.2591 14.9034 14.9034 14.9322 14.9322 16.0102 16.0102 k = 0.1238 0.2144 0.8764 ( 3938 PWs) bands (ev): 0.8276 0.8276 0.8557 0.8557 1.8279 1.8279 5.7471 5.7471 6.1605 6.1605 7.5407 7.5407 7.7682 7.7682 7.8192 7.8192 8.2617 8.2617 8.4250 8.4250 8.7868 8.7868 8.9102 8.9102 10.1288 10.1288 10.1745 10.1745 10.2911 10.2911 10.3515 10.3515 10.4163 10.4163 10.5957 10.5957 10.6652 10.6652 11.1098 11.1098 11.1809 11.1809 11.2522 11.2522 11.2955 11.2955 11.3826 11.3826 11.4866 11.4866 11.5130 11.5130 12.0025 12.0025 12.2378 12.2378 12.3071 12.3071 12.4074 12.4074 12.5291 12.5291 12.5809 12.5809 12.5980 12.5980 12.6432 12.6432 12.9894 12.9894 13.0939 13.0939 13.5393 13.5393 13.7411 13.7411 13.7881 13.7881 14.2192 14.2192 14.8656 14.8656 14.9031 14.9031 15.9548 15.9548 k = 0.1143 0.1979 0.8764 ( 3946 PWs) bands (ev): 0.8244 0.8244 0.8386 0.8386 1.8451 1.8451 5.7849 5.7849 6.1626 6.1626 7.5889 7.5889 7.7681 7.7681 7.8184 7.8184 8.2443 8.2443 8.4104 8.4104 8.7820 8.7820 8.8851 8.8851 10.1165 10.1165 10.1607 10.1607 10.2888 10.2888 10.3416 10.3416 10.4046 10.4046 10.6044 10.6044 10.6703 10.6703 11.1275 11.1275 11.1849 11.1849 11.2611 11.2611 11.2945 11.2945 11.3886 11.3886 11.4897 11.4897 11.5145 11.5145 12.0043 12.0043 12.2364 12.2364 12.3001 12.3001 12.4047 12.4047 12.5219 12.5219 12.5689 12.5689 12.5855 12.5855 12.6307 12.6307 13.0110 13.0110 13.1102 13.1102 13.5182 13.5182 13.7184 13.7184 13.7642 13.7642 14.1792 14.1792 14.8320 14.8320 14.8731 14.8731 15.9029 15.9029 k = 0.1048 0.1815 0.8764 ( 3954 PWs) bands (ev): 0.8208 0.8208 0.8230 0.8230 1.8612 1.8612 5.8213 5.8213 6.1651 6.1651 7.6343 7.6343 7.7714 7.7714 7.8190 7.8190 8.2280 8.2280 8.3949 8.3949 8.7748 8.7748 8.8609 8.8609 10.1049 10.1049 10.1475 10.1475 10.2864 10.2864 10.3320 10.3320 10.3929 10.3929 10.6127 10.6127 10.6754 10.6754 11.1435 11.1435 11.1895 11.1895 11.2678 11.2678 11.2939 11.2939 11.3944 11.3944 11.4939 11.4939 11.5168 11.5168 12.0062 12.0062 12.2355 12.2355 12.2936 12.2936 12.4022 12.4022 12.5145 12.5145 12.5566 12.5566 12.5730 12.5730 12.6178 12.6178 13.0334 13.0334 13.1265 13.1265 13.4977 13.4977 13.6962 13.6962 13.7410 13.7410 14.1394 14.1394 14.8024 14.8024 14.8434 14.8434 15.8550 15.8550 k = 0.0952 0.1650 0.8764 ( 3956 PWs) bands (ev): 0.8075 0.8075 0.8186 0.8186 1.8761 1.8761 5.8561 5.8561 6.1681 6.1681 7.6744 7.6744 7.7800 7.7800 7.8209 7.8209 8.2128 8.2128 8.3783 8.3783 8.7655 8.7655 8.8378 8.8378 10.0942 10.0942 10.1352 10.1352 10.2840 10.2840 10.3229 10.3229 10.3815 10.3815 10.6204 10.6204 10.6806 10.6806 11.1570 11.1570 11.1953 11.1953 11.2719 11.2719 11.2944 11.2944 11.4002 11.4002 11.4992 11.4992 11.5200 11.5200 12.0080 12.0080 12.2352 12.2352 12.2877 12.2877 12.3998 12.3998 12.5070 12.5070 12.5442 12.5442 12.5609 12.5609 12.6050 12.6050 13.0563 13.0563 13.1427 13.1427 13.4781 13.4781 13.6744 13.6744 13.7186 13.7186 14.1003 14.1003 14.7765 14.7765 14.8150 14.8150 15.8115 15.8115 k = 0.0857 0.1485 0.8764 ( 3956 PWs) bands (ev): 0.7940 0.7940 0.8159 0.8159 1.8899 1.8899 5.8889 5.8889 6.1712 6.1712 7.7054 7.7054 7.7976 7.7976 7.8239 7.8239 8.1988 8.1988 8.3606 8.3606 8.7542 8.7542 8.8164 8.8164 10.0842 10.0842 10.1239 10.1239 10.2816 10.2816 10.3144 10.3144 10.3704 10.3704 10.6274 10.6274 10.6856 10.6856 11.1676 11.1676 11.2025 11.2025 11.2736 11.2736 11.2956 11.2956 11.4057 11.4057 11.5055 11.5055 11.5239 11.5239 12.0099 12.0099 12.2356 12.2356 12.2825 12.2825 12.3975 12.3975 12.4991 12.4991 12.5320 12.5320 12.5494 12.5494 12.5922 12.5922 13.0796 13.0796 13.1587 13.1587 13.4597 13.4597 13.6531 13.6531 13.6974 13.6974 14.0624 14.0624 14.7540 14.7540 14.7885 14.7885 15.7724 15.7724 k = 0.0762 0.1320 0.8764 ( 3948 PWs) bands (ev): 0.7817 0.7817 0.8134 0.8134 1.9024 1.9024 5.9192 5.9192 6.1745 6.1745 7.7248 7.7248 7.8248 7.8248 7.8294 7.8294 8.1861 8.1861 8.3417 8.3417 8.7414 8.7414 8.7969 8.7969 10.0751 10.0751 10.1137 10.1137 10.2795 10.2795 10.3066 10.3066 10.3599 10.3599 10.6336 10.6336 10.6906 10.6906 11.1754 11.1754 11.2109 11.2109 11.2735 11.2735 11.2973 11.2973 11.4109 11.4109 11.5127 11.5127 11.5284 11.5284 12.0117 12.0117 12.2364 12.2364 12.2778 12.2778 12.3954 12.3954 12.4907 12.4907 12.5206 12.5206 12.5389 12.5389 12.5797 12.5797 13.1028 13.1028 13.1747 13.1747 13.4427 13.4427 13.6323 13.6323 13.6776 13.6776 14.0263 14.0263 14.7346 14.7346 14.7644 14.7644 15.7379 15.7379 k = 0.0667 0.1155 0.8764 ( 3952 PWs) bands (ev): 0.7708 0.7708 0.8111 0.8111 1.9136 1.9136 5.9469 5.9469 6.1777 6.1777 7.7360 7.7360 7.8319 7.8319 7.8629 7.8629 8.1747 8.1747 8.3215 8.3215 8.7274 8.7274 8.7794 8.7794 10.0669 10.0669 10.1045 10.1045 10.2773 10.2773 10.2996 10.2996 10.3502 10.3502 10.6391 10.6391 10.6953 10.6953 11.1810 11.1810 11.2194 11.2194 11.2723 11.2723 11.2987 11.2987 11.4157 11.4157 11.5204 11.5204 11.5332 11.5332 12.0135 12.0135 12.2377 12.2377 12.2737 12.2737 12.3933 12.3933 12.4816 12.4816 12.5103 12.5103 12.5294 12.5294 12.5676 12.5676 13.1255 13.1255 13.1903 13.1903 13.4273 13.4273 13.6118 13.6118 13.6594 13.6594 13.9923 13.9923 14.7180 14.7180 14.7431 14.7431 15.7077 15.7077 k = 0.0571 0.0990 0.8764 ( 3950 PWs) bands (ev): 0.7612 0.7612 0.8091 0.8091 1.9233 1.9233 5.9715 5.9715 6.1807 6.1807 7.7432 7.7432 7.8369 7.8369 7.9019 7.9019 8.1646 8.1646 8.3000 8.3000 8.7131 8.7131 8.7642 8.7642 10.0596 10.0596 10.0966 10.0966 10.2753 10.2753 10.2935 10.2935 10.3413 10.3413 10.6437 10.6437 10.6996 10.6996 11.1854 11.1854 11.2274 11.2274 11.2706 11.2706 11.2997 11.2997 11.4201 11.4201 11.5282 11.5282 11.5383 11.5383 12.0152 12.0152 12.2394 12.2394 12.2700 12.2700 12.3914 12.3914 12.4720 12.4720 12.5017 12.5017 12.5212 12.5212 12.5561 12.5561 13.1471 13.1471 13.2059 13.2059 13.4136 13.4136 13.5917 13.5917 13.6432 13.6432 13.9612 13.9612 14.7039 14.7039 14.7247 14.7247 15.6818 15.6818 k = 0.0476 0.0825 0.8764 ( 3950 PWs) bands (ev): 0.7531 0.7531 0.8073 0.8073 1.9317 1.9317 5.9928 5.9928 6.1835 6.1835 7.7485 7.7485 7.8418 7.8418 7.9413 7.9413 8.1559 8.1559 8.2773 8.2773 8.6994 8.6994 8.7510 8.7510 10.0534 10.0534 10.0898 10.0898 10.2734 10.2734 10.2884 10.2884 10.3336 10.3336 10.6476 10.6476 10.7035 10.7035 11.1890 11.1890 11.2343 11.2343 11.2687 11.2687 11.3002 11.3002 11.4240 11.4240 11.5355 11.5355 11.5434 11.5434 12.0168 12.0168 12.2414 12.2414 12.2667 12.2667 12.3897 12.3897 12.4622 12.4622 12.4948 12.4948 12.5144 12.5144 12.5453 12.5453 13.1668 13.1668 13.2213 13.2213 13.4020 13.4020 13.5723 13.5723 13.6293 13.6293 13.9334 13.9334 14.6921 14.6921 14.7095 14.7095 15.6601 15.6601 k = 0.0381 0.0660 0.8764 ( 3950 PWs) bands (ev): 0.7464 0.7464 0.8059 0.8059 1.9386 1.9386 6.0106 6.0106 6.1858 6.1858 7.7527 7.7527 7.8465 7.8465 7.9799 7.9799 8.1484 8.1484 8.2534 8.2534 8.6870 8.6870 8.7400 8.7400 10.0482 10.0482 10.0843 10.0843 10.2716 10.2716 10.2845 10.2845 10.3271 10.3271 10.6508 10.6508 10.7069 10.7069 11.1919 11.1919 11.2399 11.2399 11.2667 11.2667 11.3004 11.3004 11.4272 11.4272 11.5418 11.5418 11.5486 11.5486 12.0183 12.0183 12.2436 12.2436 12.2638 12.2638 12.3881 12.3881 12.4531 12.4531 12.4896 12.4896 12.5093 12.5093 12.5354 12.5354 13.1836 13.1836 13.2364 13.2364 13.3924 13.3924 13.5538 13.5538 13.6178 13.6178 13.9096 13.9096 14.6822 14.6822 14.6975 14.6975 15.6423 15.6423 k = 0.0286 0.0495 0.8764 ( 3954 PWs) bands (ev): 0.7412 0.7412 0.8047 0.8047 1.9440 1.9440 6.0246 6.0246 6.1878 6.1878 7.7559 7.7559 7.8505 7.8505 8.0169 8.0169 8.1419 8.1419 8.2289 8.2289 8.6767 8.6767 8.7312 8.7312 10.0440 10.0440 10.0799 10.0799 10.2699 10.2699 10.2817 10.2817 10.3218 10.3218 10.6532 10.6532 10.7095 10.7095 11.1943 11.1943 11.2441 11.2441 11.2650 11.2650 11.3004 11.3004 11.4297 11.4297 11.5467 11.5467 11.5533 11.5533 12.0195 12.0195 12.2460 12.2460 12.2610 12.2610 12.3868 12.3868 12.4452 12.4452 12.4856 12.4856 12.5060 12.5060 12.5266 12.5266 13.1969 13.1969 13.2508 13.2508 13.3850 13.3850 13.5371 13.5371 13.6089 13.6089 13.8904 13.8904 14.6742 14.6742 14.6886 14.6886 15.6280 15.6280 k = 0.0190 0.0330 0.8764 ( 3950 PWs) bands (ev): 0.7374 0.7374 0.8039 0.8039 1.9478 1.9478 6.0348 6.0348 6.1892 6.1892 7.7583 7.7583 7.8537 7.8537 8.0518 8.0518 8.1355 8.1355 8.2048 8.2048 8.6690 8.6690 8.7247 8.7247 10.0411 10.0411 10.0769 10.0769 10.2684 10.2684 10.2799 10.2799 10.3180 10.3180 10.6549 10.6549 10.7115 10.7115 11.1961 11.1961 11.2471 11.2471 11.2636 11.2636 11.3004 11.3004 11.4316 11.4316 11.5501 11.5501 11.5574 11.5574 12.0205 12.0205 12.2485 12.2485 12.2585 12.2585 12.3859 12.3859 12.4392 12.4392 12.4828 12.4828 12.5048 12.5048 12.5191 12.5191 13.2064 13.2064 13.2630 13.2630 13.3797 13.3797 13.5235 13.5235 13.6025 13.6025 13.8762 13.8762 14.6683 14.6683 14.6826 14.6826 15.6167 15.6167 k = 0.0095 0.0165 0.8764 ( 3950 PWs) bands (ev): 0.7352 0.7352 0.8034 0.8034 1.9502 1.9502 6.0409 6.0409 6.1901 6.1901 7.7597 7.7597 7.8557 7.8557 8.0834 8.0834 8.1267 8.1267 8.1848 8.1848 8.6641 8.6641 8.7208 8.7208 10.0393 10.0393 10.0750 10.0750 10.2675 10.2675 10.2789 10.2789 10.3157 10.3157 10.6559 10.6559 10.7127 10.7127 11.1973 11.1973 11.2489 11.2489 11.2626 11.2626 11.3003 11.3003 11.4327 11.4327 11.5521 11.5521 11.5600 11.5600 12.0211 12.0211 12.2509 12.2509 12.2560 12.2560 12.3852 12.3852 12.4354 12.4354 12.4812 12.4812 12.5054 12.5054 12.5131 12.5131 13.2120 13.2120 13.2715 13.2715 13.3766 13.3766 13.5144 13.5144 13.5987 13.5987 13.8675 13.8675 14.6647 14.6647 14.6791 14.6791 15.6086 15.6086 k = 0.0000 0.0000 0.8764 ( 3950 PWs) bands (ev): 0.7344 0.7344 0.8032 0.8032 1.9509 1.9509 6.0430 6.0430 6.1904 6.1904 7.7602 7.7602 7.8563 7.8563 8.1064 8.1064 8.1129 8.1129 8.1764 8.1764 8.6625 8.6625 8.7194 8.7194 10.0387 10.0387 10.0744 10.0744 10.2671 10.2671 10.2786 10.2786 10.3149 10.3149 10.6563 10.6563 10.7131 10.7131 11.1976 11.1976 11.2495 11.2495 11.2623 11.2623 11.3003 11.3003 11.4331 11.4331 11.5527 11.5527 11.5609 11.5609 12.0213 12.0213 12.2529 12.2529 12.2540 12.2540 12.3850 12.3850 12.4341 12.4341 12.4806 12.4806 12.5069 12.5069 12.5098 12.5098 13.2139 13.2139 13.2745 13.2745 13.3756 13.3756 13.5111 13.5111 13.5975 13.5975 13.8645 13.8645 14.6635 14.6635 14.6779 14.6779 15.6054 15.6054 k = 0.5000 0.2887 0.8764 ( 3964 PWs) bands (ev): 0.8667 0.8667 1.1702 1.1702 1.5166 1.5166 5.3378 5.3378 6.1643 6.1643 7.0476 7.0476 7.4911 7.4911 8.2754 8.2754 8.3323 8.3323 8.6606 8.6606 8.6775 8.6775 9.1504 9.1504 10.2915 10.2915 10.3343 10.3343 10.3932 10.3932 10.4376 10.4376 10.4705 10.4705 10.5389 10.5389 10.5975 10.5975 10.9133 10.9133 11.0381 11.0381 11.1560 11.1560 11.3037 11.3037 11.3136 11.3136 11.4899 11.4899 11.5389 11.5389 12.0026 12.0026 12.2690 12.2690 12.4128 12.4128 12.4813 12.4813 12.5725 12.5725 12.6574 12.6574 12.7080 12.7080 12.7555 12.7555 12.8511 12.8511 12.8964 12.8964 13.7535 13.7535 13.8463 13.8463 14.3313 14.3313 14.7495 14.7495 15.1855 15.1855 15.3253 15.3253 16.2768 16.2768 k = 0.5000 0.2887 0.8574 ( 3976 PWs) bands (ev): 0.8642 0.8642 1.1684 1.1684 1.5159 1.5159 5.3406 5.3411 6.1674 6.1675 7.0435 7.0529 7.4818 7.4942 8.2723 8.2820 8.3301 8.3353 8.6353 8.6474 8.6906 8.7013 9.1500 9.1509 10.2904 10.2910 10.3317 10.3341 10.3927 10.3936 10.4373 10.4423 10.4667 10.4705 10.5374 10.5436 10.5935 10.6022 10.9122 10.9147 11.0370 11.0390 11.1471 11.1639 11.2861 11.3117 11.3151 11.3192 11.4873 11.5001 11.5394 11.5420 12.0016 12.0036 12.2683 12.2694 12.4095 12.4153 12.4794 12.4823 12.5698 12.5747 12.6563 12.6579 12.7029 12.7138 12.7529 12.7586 12.8507 12.8521 12.8953 12.8972 13.7530 13.7551 13.8463 13.8487 14.3270 14.3304 14.7424 14.7473 15.1830 15.1876 15.3239 15.3274 16.2814 16.2823 k = 0.5000 0.2887 0.8383 ( 3962 PWs) bands (ev): 0.8570 0.8570 1.1628 1.1629 1.5139 1.5141 5.3495 5.3505 6.1769 6.1772 7.0403 7.0593 7.4668 7.4915 8.2722 8.2914 8.3293 8.3396 8.6080 8.6207 8.7159 8.7262 9.1496 9.1515 10.2878 10.2887 10.3272 10.3315 10.3934 10.3936 10.4422 10.4485 10.4600 10.4685 10.5393 10.5507 10.5907 10.6076 10.9114 10.9164 11.0361 11.0401 11.1376 11.1709 11.2677 11.3103 11.3173 11.3312 11.4935 11.5166 11.5438 11.5490 12.0005 12.0046 12.2674 12.2696 12.4055 12.4171 12.4767 12.4825 12.5673 12.5769 12.6549 12.6581 12.6986 12.7206 12.7510 12.7627 12.8512 12.8540 12.8939 12.8976 13.7541 13.7580 13.8490 13.8537 14.3177 14.3244 14.7266 14.7362 15.1797 15.1883 15.3241 15.3308 16.2962 16.2979 k = 0.5000 0.2887 0.8193 ( 3968 PWs) bands (ev): 0.8451 0.8452 1.1536 1.1537 1.5107 1.5108 5.3645 5.3660 6.1927 6.1930 7.0371 7.0661 7.4474 7.4844 8.2735 8.3000 8.3326 8.3461 8.5801 8.5931 8.7407 8.7502 9.1493 9.1522 10.2834 10.2839 10.3222 10.3274 10.3930 10.3953 10.4488 10.4506 10.4515 10.4714 10.5435 10.5587 10.5889 10.6134 10.9105 10.9183 11.0348 11.0409 11.1276 11.1764 11.2501 11.3087 11.3199 11.3403 11.5079 11.5374 11.5519 11.5597 11.9994 12.0055 12.2662 12.2696 12.4009 12.4180 12.4733 12.4818 12.5645 12.5784 12.6528 12.6578 12.6948 12.7279 12.7494 12.7675 12.8524 12.8566 12.8922 12.8977 13.7566 13.7620 13.8544 13.8611 14.3036 14.3135 14.7032 14.7171 15.1731 15.1847 15.3275 15.3367 16.3207 16.3231 k = 0.5000 0.2887 0.8002 ( 3968 PWs) bands (ev): 0.8287 0.8288 1.1408 1.1410 1.5060 1.5063 5.3853 5.3874 6.2145 6.2150 7.0327 7.0720 7.4259 7.4749 8.2746 8.3029 8.3440 8.3556 8.5522 8.5652 8.7646 8.7732 9.1492 9.1532 10.2765 10.2770 10.3182 10.3231 10.3924 10.3983 10.4411 10.4415 10.4622 10.4818 10.5492 10.5672 10.5884 10.6194 10.9096 10.9204 11.0334 11.0412 11.1179 11.1795 11.2355 11.3072 11.3234 11.3481 11.5288 11.5608 11.5636 11.5747 11.9982 12.0063 12.2648 12.2692 12.3956 12.4181 12.4694 12.4803 12.5619 12.5797 12.6502 12.6572 12.6916 12.7360 12.7482 12.7733 12.8545 12.8600 12.8905 12.8976 13.7605 13.7669 13.8627 13.8710 14.2854 14.2983 14.6736 14.6913 15.1610 15.1741 15.3356 15.3463 16.3541 16.3571 k = 0.5000 0.2887 0.7812 ( 3968 PWs) bands (ev): 0.8083 0.8084 1.1247 1.1248 1.5000 1.5002 5.4119 5.4146 6.2422 6.2428 7.0255 7.0747 7.4057 7.4656 8.2743 8.3006 8.3618 8.3679 8.5248 8.5373 8.7875 8.7952 9.1493 9.1544 10.2667 10.2686 10.3154 10.3191 10.3914 10.4022 10.4306 10.4321 10.4748 10.4948 10.5557 10.5756 10.5890 10.6255 10.9083 10.9227 11.0315 11.0406 11.1093 11.1784 11.2267 11.3061 11.3279 11.3555 11.5540 11.5787 11.5835 11.5957 11.9970 12.0071 12.2631 12.2688 12.3897 12.4173 12.4648 12.4779 12.5595 12.5804 12.6470 12.6563 12.6890 12.7432 12.7489 12.7800 12.8574 12.8642 12.8889 12.8973 13.7657 13.7725 13.8740 13.8835 14.2635 14.2793 14.6390 14.6601 15.1422 15.1557 15.3483 15.3596 16.3955 16.3991 k = 0.5000 0.2887 0.7621 ( 3972 PWs) bands (ev): 0.7839 0.7840 1.1054 1.1055 1.4923 1.4926 5.4439 5.4472 6.2754 6.2760 7.0137 7.0712 7.3906 7.4593 8.2722 8.2959 8.3816 8.3822 8.4992 8.5100 8.8092 8.8159 9.1497 9.1559 10.2554 10.2586 10.3134 10.3158 10.3889 10.4065 10.4194 10.4246 10.4879 10.5088 10.5626 10.5834 10.5911 10.6317 10.9065 10.9250 11.0290 11.0389 11.1026 11.1721 11.2251 11.3059 11.3335 11.3634 11.5814 11.5975 11.6046 11.6224 11.9957 12.0078 12.2612 12.2681 12.3832 12.4154 12.4598 12.4748 12.5575 12.5807 12.6432 12.6553 12.6866 12.7439 12.7567 12.7876 12.8612 12.8690 12.8876 12.8972 13.7723 13.7788 13.8883 13.8986 14.2388 14.2570 14.6006 14.6247 15.1168 15.1300 15.3638 15.3752 16.4428 16.4470 k = 0.5000 0.2887 0.7431 ( 3964 PWs) bands (ev): 0.7561 0.7562 1.0830 1.0832 1.4831 1.4835 5.4812 5.4851 6.3138 6.3144 6.9957 7.0583 7.3846 7.4583 8.2687 8.2900 8.3929 8.4022 8.4783 8.4846 8.8297 8.8353 9.1505 9.1580 10.2432 10.2474 10.3120 10.3128 10.3837 10.4055 10.4142 10.4209 10.5012 10.5231 10.5696 10.5893 10.5959 10.6379 10.9038 10.9271 11.0259 11.0358 11.0985 11.1636 11.2286 11.3068 11.3402 11.3722 11.6088 11.6211 11.6269 11.6517 11.9944 12.0085 12.2592 12.2673 12.3762 12.4127 12.4543 12.4710 12.5561 12.5805 12.6388 12.6543 12.6844 12.7423 12.7675 12.7961 12.8658 12.8742 12.8872 12.8973 13.7803 13.7858 13.9055 13.9162 14.2122 14.2325 14.5591 14.5861 15.0855 15.0983 15.3803 15.3919 16.4925 16.4972 k = 0.5000 0.2887 0.7240 ( 3958 PWs) bands (ev): 0.7252 0.7253 1.0579 1.0581 1.4723 1.4727 5.5232 5.5279 6.3568 6.3574 6.9709 7.0346 7.3897 7.4641 8.2642 8.2836 8.3944 8.4158 8.4663 8.4687 8.8488 8.8533 9.1520 9.1608 10.2305 10.2355 10.3100 10.3107 10.3755 10.3946 10.4196 10.4212 10.5144 10.5375 10.5766 10.5934 10.6031 10.6443 10.9000 10.9289 11.0224 11.0320 11.0970 11.1553 11.2347 11.3088 11.3483 11.3821 11.6344 11.6494 11.6506 11.6818 11.9932 12.0091 12.2570 12.2664 12.3686 12.4090 12.4485 12.4667 12.5554 12.5798 12.6338 12.6533 12.6822 12.7398 12.7792 12.8054 12.8714 12.8788 12.8892 12.8980 13.7897 13.7935 13.9249 13.9362 14.1848 14.2064 14.5153 14.5448 15.0494 15.0617 15.3964 15.4081 16.5353 16.5407 k = 0.5000 0.2887 0.7050 ( 3954 PWs) bands (ev): 0.6916 0.6917 1.0303 1.0305 1.4599 1.4603 5.5697 5.5752 6.4039 6.4045 6.9392 7.0009 7.4055 7.4770 8.2593 8.2770 8.3816 8.4094 8.4683 8.4743 8.8664 8.8697 9.1542 9.1644 10.2175 10.2231 10.3071 10.3093 10.3659 10.3832 10.4242 10.4264 10.5271 10.5516 10.5834 10.5971 10.6112 10.6510 10.8951 10.9302 11.0186 11.0283 11.0977 11.1485 11.2423 11.3119 11.3577 11.3932 11.6599 11.6757 11.6801 11.7120 11.9918 12.0096 12.2547 12.2654 12.3603 12.4044 12.4423 12.4619 12.5553 12.5784 12.6282 12.6525 12.6798 12.7363 12.7918 12.8152 12.8778 12.8816 12.8947 12.8997 13.8004 13.8018 13.9457 13.9578 14.1580 14.1799 14.4695 14.5015 15.0091 15.0211 15.4107 15.4227 16.5529 16.5588 k = 0.5000 0.2887 0.6859 ( 3954 PWs) bands (ev): 0.6556 0.6557 1.0003 1.0006 1.4459 1.4463 5.6203 5.6266 6.4546 6.4551 6.9015 6.9595 7.4299 7.4965 8.2545 8.2708 8.3612 8.3894 8.4842 8.4883 8.8822 8.8843 9.1574 9.1690 10.2045 10.2104 10.3038 10.3077 10.3559 10.3723 10.4292 10.4339 10.5394 10.5649 10.5899 10.6007 10.6197 10.6581 10.8890 10.9308 11.0153 11.0255 11.0997 11.1435 11.2507 11.3160 11.3685 11.4054 11.6862 11.7018 11.7111 11.7416 11.9906 12.0101 12.2523 12.2644 12.3515 12.3989 12.4358 12.4567 12.5559 12.5765 12.6221 12.6520 12.6770 12.7318 12.8048 12.8251 12.8842 12.8851 12.9029 12.9031 13.8105 13.8123 13.9656 13.9798 14.1348 14.1551 14.4223 14.4564 14.9654 14.9771 15.4223 15.4346 16.5404 16.5463 k = 0.5000 0.2887 0.6669 ( 3954 PWs) bands (ev): 0.6176 0.6178 0.9684 0.9686 1.4303 1.4307 5.6743 5.6817 6.5081 6.5086 6.8589 6.9130 7.4605 7.5214 8.2506 8.2654 8.3390 8.3672 8.5026 8.5048 8.8963 8.8971 9.1618 9.1749 10.1915 10.1976 10.3000 10.3057 10.3462 10.3620 10.4354 10.4419 10.5510 10.5771 10.5964 10.6042 10.6287 10.6660 10.8822 10.9305 11.0128 11.0241 11.1027 11.1402 11.2597 11.3212 11.3807 11.4189 11.7132 11.7286 11.7415 11.7703 11.9894 12.0106 12.2499 12.2635 12.3421 12.3926 12.4290 12.4512 12.5572 12.5739 12.6155 12.6520 12.6737 12.7261 12.8179 12.8345 12.8883 12.8933 12.9090 12.9127 13.8194 13.8256 13.9801 13.9988 14.1202 14.1356 14.3740 14.4100 14.9191 14.9305 15.4308 15.4433 16.5149 16.5208 k = 0.5000 0.2887 0.6478 ( 3950 PWs) bands (ev): 0.5780 0.5781 0.9347 0.9349 1.4132 1.4137 5.7313 5.7399 6.5638 6.5640 6.8129 6.8633 7.4954 7.5503 8.2483 8.2613 8.3175 8.3462 8.5204 8.5214 8.9080 8.9083 9.1675 9.1821 10.1786 10.1849 10.2955 10.3033 10.3372 10.3524 10.4428 10.4507 10.5620 10.5868 10.6036 10.6074 10.6382 10.6747 10.8750 10.9293 11.0117 11.0242 11.1063 11.1384 11.2690 11.3272 11.3944 11.4336 11.7407 11.7558 11.7708 11.7975 11.9882 12.0110 12.2476 12.2627 12.3322 12.3856 12.4221 12.4456 12.5591 12.5706 12.6086 12.6525 12.6697 12.7194 12.8302 12.8428 12.8950 12.9027 12.9183 12.9240 13.8278 13.8401 13.9837 14.0078 14.1205 14.1290 14.3253 14.3624 14.8705 14.8817 15.4355 15.4484 16.4877 16.4935 k = 0.5000 0.2887 0.6288 ( 3940 PWs) bands (ev): 0.5370 0.5372 0.8995 0.8998 1.3947 1.3952 5.7905 5.8005 6.6206 6.6206 6.7649 6.8121 7.5328 7.5817 8.2483 8.2594 8.2980 8.3276 8.5370 8.5372 8.9168 8.9182 9.1749 9.1908 10.1659 10.1722 10.2905 10.3004 10.3291 10.3438 10.4512 10.4602 10.5723 10.5934 10.6102 10.6124 10.6484 10.6844 10.8681 10.9275 11.0121 11.0258 11.1102 11.1377 11.2787 11.3340 11.4095 11.4493 11.7683 11.7828 11.7986 11.8229 11.9874 12.0116 12.2454 12.2622 12.3218 12.3779 12.4151 12.4398 12.5614 12.5667 12.6017 12.6537 12.6651 12.7116 12.8408 12.8496 12.9052 12.9134 12.9311 12.9367 13.8341 13.8555 13.9767 14.0015 14.1361 14.1411 14.2775 14.3141 14.8202 14.8311 15.4364 15.4495 16.4632 16.4690 k = 0.5000 0.2887 0.6097 ( 3940 PWs) bands (ev): 0.4950 0.4952 0.8631 0.8633 1.3750 1.3755 5.8511 5.8628 6.6768 6.6771 6.7169 6.7612 7.5710 7.6140 8.2517 8.2603 8.2815 8.3123 8.5518 8.5520 8.9237 8.9260 9.1838 9.2011 10.1531 10.1595 10.2848 10.2969 10.3218 10.3359 10.4604 10.4701 10.5821 10.5971 10.6124 10.6219 10.6592 10.6950 10.8620 10.9253 11.0139 11.0287 11.1140 11.1380 11.2883 11.3414 11.4258 11.4660 11.7954 11.8092 11.8244 11.8462 11.9867 12.0123 12.2434 12.2619 12.3109 12.3696 12.4079 12.4341 12.5620 12.5634 12.5954 12.6555 12.6596 12.7028 12.8493 12.8549 12.9194 12.9258 12.9474 12.9508 13.8353 13.8705 13.9678 13.9856 14.1562 14.1675 14.2359 14.2651 14.7686 14.7791 15.4334 15.4467 16.4434 16.4491 k = 0.5000 0.2887 0.5906 ( 3948 PWs) bands (ev): 0.4523 0.4525 0.8257 0.8259 1.3541 1.3547 5.9119 5.9256 6.6657 6.7070 6.7360 6.7374 7.6087 7.6456 8.2595 8.2647 8.2689 8.3013 8.5649 8.5654 8.9286 8.9317 9.1945 9.2129 10.1404 10.1468 10.2787 10.2928 10.3150 10.3289 10.4705 10.4807 10.5912 10.5989 10.6142 10.6312 10.6706 10.7066 10.8570 10.9231 11.0170 11.0326 11.1177 11.1389 11.2979 11.3493 11.4431 11.4835 11.8216 11.8344 11.8478 11.8671 11.9865 12.0132 12.2417 12.2619 12.2994 12.3606 12.4008 12.4283 12.5567 12.5639 12.5907 12.6531 12.6582 12.6932 12.8558 12.8591 12.9374 12.9400 12.9666 12.9669 13.8283 13.8818 13.9652 13.9701 14.1480 14.2012 14.2158 14.2285 14.7160 14.7260 15.4264 15.4399 16.4295 16.4352 k = 0.5000 0.2887 0.5716 ( 3948 PWs) bands (ev): 0.4091 0.4092 0.7875 0.7878 1.3323 1.3328 5.9713 5.9875 6.6196 6.6620 6.7895 6.7905 7.6445 7.6751 8.2607 8.2731 8.2732 8.2962 8.5764 8.5770 8.9318 8.9354 9.2068 9.2263 10.1279 10.1342 10.2725 10.2881 10.3088 10.3227 10.4813 10.4918 10.5995 10.5997 10.6158 10.6398 10.6826 10.7192 10.8535 10.9211 11.0211 11.0375 11.1212 11.1405 11.3076 11.3577 11.4614 11.5018 11.8463 11.8576 11.8689 11.8860 11.9870 12.0146 12.2403 12.2624 12.2875 12.3512 12.3937 12.4226 12.5509 12.5613 12.5894 12.6462 12.6613 12.6830 12.8609 12.8626 12.9562 12.9584 12.9842 12.9892 13.8122 13.8819 13.9660 13.9723 14.1062 14.1663 14.2390 14.2580 14.6628 14.6721 15.4159 15.4296 16.4225 16.4281 k = 0.5000 0.2887 0.5525 ( 3942 PWs) bands (ev): 0.3656 0.3658 0.7488 0.7491 1.3096 1.3101 6.0272 6.0463 6.5775 6.6202 6.8408 6.8424 7.6771 7.7013 8.2585 8.2840 8.2928 8.3005 8.5863 8.5871 8.9332 8.9373 9.2207 9.2411 10.1154 10.1217 10.2662 10.2829 10.3029 10.3173 10.4929 10.5035 10.5992 10.6069 10.6179 10.6476 10.6950 10.7326 10.8518 10.9197 11.0260 11.0432 11.1245 11.1427 11.3171 11.3664 11.4804 11.5207 11.8685 11.8774 11.8875 11.9034 11.9884 12.0169 12.2392 12.2633 12.2753 12.3413 12.3868 12.4171 12.5447 12.5555 12.5915 12.6386 12.6650 12.6726 12.8653 12.8658 12.9746 12.9818 13.0038 13.0141 13.7900 13.8679 13.9778 13.9875 14.0576 14.1173 14.2784 14.2965 14.6094 14.6177 15.4021 15.4159 16.4233 16.4287 k = 0.5000 0.2887 0.5335 ( 3936 PWs) bands (ev): 0.3221 0.3223 0.7099 0.7101 1.2862 1.2867 6.0760 6.0980 6.5435 6.5865 6.8882 6.8904 7.7056 7.7234 8.2627 8.2944 8.3181 8.3195 8.5947 8.5957 8.9333 8.9376 9.2359 9.2572 10.1031 10.1094 10.2601 10.2772 10.2973 10.3126 10.5052 10.5157 10.5981 10.6110 10.6225 10.6546 10.7079 10.7468 10.8517 10.9188 11.0315 11.0496 11.1275 11.1454 11.3266 11.3753 11.4999 11.5400 11.8875 11.8925 11.9039 11.9199 11.9912 12.0204 12.2382 12.2631 12.2646 12.3311 12.3801 12.4118 12.5382 12.5478 12.5953 12.6306 12.6621 12.6692 12.8687 12.8689 12.9953 13.0069 13.0257 13.0413 13.7648 13.8468 13.9975 13.9992 14.0173 14.0708 14.3178 14.3373 14.5566 14.5629 15.3853 15.3992 16.4325 16.4378 k = 0.5000 0.2887 0.5144 ( 3946 PWs) bands (ev): 0.2788 0.2790 0.6708 0.6710 1.2622 1.2628 6.1129 6.1367 6.5232 6.5659 6.9306 6.9334 7.7296 7.7409 8.2741 8.3088 8.3455 8.3534 8.6016 8.6030 8.9320 8.9366 9.2524 9.2746 10.0908 10.0971 10.2539 10.2711 10.2918 10.3084 10.5182 10.5283 10.5964 10.6120 10.6297 10.6609 10.7212 10.7616 10.8532 10.9186 11.0371 11.0566 11.1299 11.1485 11.3358 11.3844 11.5194 11.5594 11.9020 11.9028 11.9182 11.9348 11.9958 12.0254 12.2364 12.2514 12.2661 12.3207 12.3734 12.4067 12.5314 12.5391 12.5994 12.6222 12.6522 12.6735 12.8713 12.8721 13.0184 13.0333 13.0498 13.0703 13.7386 13.8238 13.9542 14.0016 14.0379 14.0459 14.3549 14.3786 14.5058 14.5079 15.3658 15.3799 16.4508 16.4560 k = 0.5000 0.2887 0.4954 ( 3950 PWs) bands (ev): 0.2359 0.2360 0.6318 0.6320 1.2379 1.2384 6.1328 6.1559 6.5233 6.5630 6.9671 6.9704 7.7490 7.7543 8.2932 8.3303 8.3799 8.3938 8.6072 8.6097 8.9298 8.9344 9.2700 9.2930 10.0785 10.0848 10.2479 10.2646 10.2867 10.3049 10.5318 10.5414 10.5942 10.6116 10.6380 10.6668 10.7348 10.7770 10.8563 10.9190 11.0428 11.0642 11.1319 11.1522 11.3449 11.3935 11.5390 11.5787 11.9089 11.9120 11.9301 11.9467 12.0030 12.0324 12.2314 12.2432 12.2677 12.3102 12.3667 12.4017 12.5244 12.5301 12.6028 12.6139 12.6439 12.6781 12.8736 12.8749 13.0442 13.0608 13.0764 13.1009 13.7131 13.8014 13.9044 13.9625 14.0676 14.0686 14.3815 14.4195 14.4529 14.4653 15.3442 15.3585 16.4787 16.4838 k = 0.5000 0.2887 0.4763 ( 3950 PWs) bands (ev): 0.1934 0.1936 0.5931 0.5933 1.2133 1.2138 6.1333 6.1527 6.5458 6.5798 6.9972 7.0010 7.7642 7.7645 8.3204 8.3596 8.4193 8.4399 8.6119 8.6163 8.9266 8.9313 9.2886 9.3126 10.0664 10.0726 10.2418 10.2577 10.2821 10.3022 10.5460 10.5548 10.5917 10.6106 10.6468 10.6727 10.7488 10.7928 10.8607 10.9200 11.0483 11.0721 11.1334 11.1564 11.3537 11.4027 11.5583 11.5979 11.9121 11.9182 11.9390 11.9545 12.0128 12.0413 12.2213 12.2400 12.2691 12.2999 12.3601 12.3970 12.5175 12.5210 12.6038 12.6059 12.6386 12.6828 12.8758 12.8773 13.0726 13.0892 13.1048 13.1325 13.6894 13.7810 13.8552 13.9170 14.1006 14.1016 14.3675 14.3981 14.4596 14.4646 15.3208 15.3353 16.5167 16.5217 k = 0.5000 0.2887 0.4573 ( 3944 PWs) bands (ev): 0.1517 0.1518 0.5548 0.5550 1.1886 1.1891 6.1171 6.1317 6.5862 6.6134 7.0206 7.0247 7.7716 7.7771 8.3554 8.3966 8.4613 8.4899 8.6163 8.6247 8.9228 8.9275 9.3083 9.3331 10.0543 10.0605 10.2356 10.2504 10.2782 10.3001 10.5605 10.5683 10.5890 10.6095 10.6561 10.6788 10.7630 10.8087 10.8663 10.9216 11.0535 11.0805 11.1345 11.1614 11.3623 11.4119 11.5772 11.6167 11.9130 11.9213 11.9445 11.9585 12.0243 12.0514 12.2101 12.2381 12.2699 12.2903 12.3535 12.3926 12.5106 12.5120 12.5984 12.6012 12.6377 12.6875 12.8777 12.8794 13.1036 13.1183 13.1348 13.1644 13.6688 13.7636 13.8075 13.8720 14.1359 14.1377 14.3228 14.3438 14.4943 14.4987 15.2959 15.3107 16.5647 16.5696 k = 0.5000 0.2887 0.4382 ( 3940 PWs) bands (ev): 0.1108 0.1110 0.5171 0.5173 1.1640 1.1645 6.0893 6.0998 6.6369 6.6580 7.0376 7.0419 7.7776 7.7877 8.3975 8.4407 8.5015 8.5406 8.6230 8.6382 8.9184 8.9231 9.3288 9.3546 10.0422 10.0484 10.2291 10.2428 10.2752 10.2988 10.5748 10.5804 10.5876 10.6088 10.6656 10.6853 10.7774 10.8247 10.8730 10.9236 11.0580 11.0890 11.1351 11.1671 11.3705 11.4209 11.5955 11.6349 11.9120 11.9217 11.9471 11.9595 12.0361 12.0616 12.1996 12.2356 12.2692 12.2819 12.3471 12.3883 12.5031 12.5039 12.5918 12.5961 12.6402 12.6921 12.8793 12.8813 13.1368 13.1475 13.1655 13.1953 13.6527 13.7504 13.7616 13.8289 14.1724 14.1752 14.2721 14.2903 14.5302 14.5372 15.2698 15.2851 16.6225 16.6275 k = 0.5000 0.2887 0.4192 ( 3932 PWs) bands (ev): 0.0709 0.0710 0.4801 0.4804 1.1395 1.1400 6.0547 6.0621 6.6922 6.7083 7.0485 7.0528 7.7833 7.7976 8.4458 8.4909 8.5335 8.5813 8.6418 8.6623 8.9136 8.9184 9.3502 9.3772 10.0302 10.0364 10.2225 10.2349 10.2731 10.2983 10.5808 10.5868 10.5978 10.6105 10.6756 10.6925 10.7919 10.8403 10.8810 10.9262 11.0618 11.0975 11.1354 11.1735 11.3785 11.4297 11.6130 11.6525 11.9096 11.9198 11.9471 11.9583 12.0472 12.0708 12.1908 12.2321 12.2659 12.2758 12.3409 12.3842 12.4946 12.4975 12.5863 12.5902 12.6444 12.6966 12.8807 12.8828 13.1715 13.1756 13.1968 13.2238 13.6430 13.7188 13.7424 13.7888 14.2061 14.2128 14.2204 14.2409 14.5683 14.5758 15.2429 15.2586 16.6895 16.6947 k = 0.5000 0.2887 0.4001 ( 3932 PWs) bands (ev): 0.0321 0.0322 0.4441 0.4443 1.1153 1.1157 6.0165 6.0216 6.7486 6.7606 7.0539 7.0582 7.7897 7.8079 8.4982 8.5413 8.5574 8.5987 8.6862 8.7007 8.9088 8.9137 9.3726 9.4007 10.0182 10.0244 10.2155 10.2267 10.2719 10.2984 10.5774 10.5921 10.6114 10.6191 10.6858 10.7006 10.8065 10.8551 10.8903 10.9291 11.0646 11.1055 11.1356 11.1805 11.3859 11.4382 11.6297 11.6694 11.9059 11.9161 11.9448 11.9554 12.0571 12.0781 12.1844 12.2272 12.2603 12.2709 12.3354 12.3804 12.4864 12.4913 12.5821 12.5849 12.6492 12.7008 12.8816 12.8839 13.2006 13.2065 13.2280 13.2475 13.6416 13.6804 13.7413 13.7531 14.1687 14.1805 14.2491 14.2509 14.6090 14.6159 15.2153 15.2316 16.7643 16.7698 k = 0.5000 0.2887 0.3811 ( 3932 PWs) bands (ev): -0.0055 -0.0054 0.4090 0.4092 1.0915 1.0919 5.9767 5.9802 6.8036 6.8121 7.0546 7.0588 7.7978 7.8197 8.5494 8.5567 8.6087 8.6096 8.7429 8.7500 8.9042 8.9093 9.3959 9.4252 10.0063 10.0124 10.2082 10.2183 10.2718 10.2993 10.5735 10.5916 10.6252 10.6336 10.6964 10.7095 10.8210 10.8684 10.9015 10.9324 11.0664 11.1122 11.1365 11.1883 11.3928 11.4462 11.6454 11.6853 11.9010 11.9108 11.9404 11.9509 12.0656 12.0828 12.1809 12.2207 12.2548 12.2650 12.3310 12.3767 12.4785 12.4855 12.5795 12.5806 12.6542 12.7049 12.8823 12.8848 13.2211 13.2397 13.2576 13.2645 13.6443 13.6551 13.7235 13.7484 14.1176 14.1300 14.2827 14.2846 14.6537 14.6590 15.1874 15.2044 16.8444 16.8505 k = 0.5000 0.2887 0.3620 ( 3932 PWs) bands (ev): -0.0419 -0.0418 0.3750 0.3752 1.0682 1.0686 5.9365 5.9389 6.8557 6.8612 7.0514 7.0555 7.8085 7.8337 8.5588 8.5787 8.6398 8.6712 8.8015 8.8041 8.9013 8.9064 9.4204 9.4510 9.9944 10.0005 10.2008 10.2099 10.2728 10.3010 10.5694 10.5891 10.6387 10.6502 10.7073 10.7195 10.8354 10.8800 10.9148 10.9361 11.0672 11.1160 11.1396 11.1965 11.3992 11.4539 11.6602 11.7004 11.8950 11.9041 11.9339 11.9449 12.0728 12.0851 12.1803 12.2129 12.2502 12.2567 12.3278 12.3733 12.4710 12.4799 12.5778 12.5785 12.6591 12.7087 12.8827 12.8854 13.2358 13.2676 13.2735 13.2832 13.6246 13.6744 13.7028 13.7647 14.0673 14.0799 14.3123 14.3156 14.7038 14.7069 15.1593 15.1771 16.9254 16.9322 k = 0.5000 0.2887 0.3430 ( 3932 PWs) bands (ev): -0.0768 -0.0767 0.3422 0.3424 1.0455 1.0459 5.8967 5.8983 6.9035 6.9065 7.0452 7.0490 7.8224 7.8508 8.5570 8.5830 8.6955 8.7338 8.8523 8.8556 8.9073 8.9099 9.4462 9.4779 9.9825 9.9886 10.1933 10.2014 10.2747 10.3034 10.5650 10.5856 10.6519 10.6675 10.7186 10.7305 10.8496 10.8901 10.9297 10.9403 11.0669 11.1163 11.1455 11.2052 11.4050 11.4610 11.6741 11.7146 11.8880 11.8963 11.9254 11.9376 12.0791 12.0857 12.1807 12.2047 12.2449 12.2478 12.3258 12.3701 12.4639 12.4746 12.5766 12.5791 12.6638 12.7123 12.8826 12.8856 13.2441 13.2742 13.2859 13.3015 13.6168 13.6943 13.7079 13.7909 14.0183 14.0311 14.3369 14.3422 14.7606 14.7612 15.1312 15.1499 16.9992 17.0067 k = 0.5000 0.2887 0.3239 ( 3936 PWs) bands (ev): -0.1102 -0.1102 0.3107 0.3109 1.0236 1.0240 5.8579 5.8589 6.9461 6.9469 7.0367 7.0403 7.8400 7.8713 8.5529 8.5808 8.7568 8.7936 8.8706 8.8834 8.9412 8.9457 9.4734 9.5062 9.9706 9.9767 10.1858 10.1929 10.2777 10.3065 10.5605 10.5816 10.6646 10.6851 10.7303 10.7424 10.8635 10.8992 10.9450 10.9457 11.0657 11.1140 11.1531 11.2141 11.4102 11.4674 11.6871 11.7278 11.8801 11.8873 11.9152 11.9288 12.0846 12.0857 12.1776 12.2000 12.2321 12.2452 12.3248 12.3671 12.4571 12.4697 12.5769 12.5814 12.6683 12.7158 12.8823 12.8855 13.2462 13.2685 13.2903 13.3096 13.6267 13.7006 13.7521 13.8267 13.9708 13.9843 14.3564 14.3638 14.8229 14.8248 15.1033 15.1230 17.0539 17.0611 k = 0.5000 0.2887 0.3048 ( 3928 PWs) bands (ev): -0.1421 -0.1421 0.2806 0.2808 1.0025 1.0028 5.8203 5.8210 6.9815 6.9825 7.0272 7.0305 7.8616 7.8956 8.5473 8.5764 8.8185 8.8398 8.8699 8.9006 8.9954 9.0026 9.5023 9.5360 9.9588 9.9649 10.1783 10.1845 10.2816 10.3104 10.5558 10.5771 10.6770 10.7027 10.7426 10.7551 10.8770 10.9079 10.9502 10.9623 11.0637 11.1101 11.1612 11.2232 11.4148 11.4732 11.6993 11.7403 11.8714 11.8773 11.9035 11.9187 12.0859 12.0900 12.1676 12.2015 12.2171 12.2442 12.3245 12.3644 12.4509 12.4653 12.5789 12.5854 12.6727 12.7192 12.8816 12.8852 13.2427 13.2579 13.2812 13.3068 13.6536 13.7219 13.8049 13.8712 13.9256 13.9406 14.3710 14.3805 14.8921 14.8962 15.0758 15.0967 17.0812 17.0873 k = 0.5000 0.2887 0.2858 ( 3936 PWs) bands (ev): -0.1724 -0.1723 0.2520 0.2522 0.9822 0.9826 5.7844 5.7847 7.0036 7.0062 7.0236 7.0264 7.8871 7.9235 8.5405 8.5708 8.8553 8.8651 8.8792 8.9419 9.0533 9.0618 9.5329 9.5671 9.9470 9.9532 10.1709 10.1762 10.2865 10.3150 10.5510 10.5722 10.6890 10.7196 10.7553 10.7681 10.8898 10.9162 10.9560 10.9791 11.0609 11.1052 11.1695 11.2321 11.4187 11.4782 11.7106 11.7517 11.8620 11.8664 11.8908 11.9072 12.0869 12.0955 12.1535 12.2005 12.2060 12.2440 12.3246 12.3619 12.4448 12.4608 12.5821 12.5904 12.6768 12.7223 12.8805 12.8846 13.2344 13.2436 13.2625 13.2950 13.6910 13.7542 13.8641 13.8847 13.9025 13.9232 14.3817 14.3929 14.9685 14.9742 15.0488 15.0715 17.0852 17.0900 k = 0.5000 0.2887 0.2667 ( 3922 PWs) bands (ev): -0.2010 -0.2009 0.2250 0.2251 0.9630 0.9633 5.7502 5.7503 6.9979 7.0006 7.0419 7.0453 7.9162 7.9547 8.5330 8.5646 8.8556 8.8604 8.9364 8.9939 9.1110 9.1205 9.5655 9.5998 9.9352 9.9415 10.1637 10.1682 10.2925 10.3204 10.5459 10.5670 10.7008 10.7358 10.7688 10.7815 10.9021 10.9246 10.9623 10.9960 11.0578 11.0995 11.1775 11.2409 11.4220 11.4825 11.7215 11.7624 11.8521 11.8545 11.8776 11.8946 12.0889 12.1015 12.1377 12.1829 12.2114 12.2445 12.3251 12.3597 12.4393 12.4568 12.5867 12.5969 12.6808 12.7255 12.8793 12.8838 13.2219 13.2252 13.2400 13.2774 13.7273 13.7828 13.8606 13.8781 13.9281 13.9809 14.3896 14.4023 15.0213 15.0385 15.0530 15.0671 17.0747 17.0786 k = 0.5000 0.2887 0.2477 ( 3930 PWs) bands (ev): -0.2279 -0.2278 0.1995 0.1996 0.9448 0.9451 5.7179 5.7180 6.9859 6.9884 7.0613 7.0654 7.9484 7.9887 8.5247 8.5577 8.8524 8.8552 8.9902 9.0449 9.1672 9.1776 9.6000 9.6338 9.9233 9.9298 10.1566 10.1604 10.2993 10.3264 10.5407 10.5614 10.7124 10.7508 10.7828 10.7946 10.9137 10.9329 10.9687 11.0126 11.0545 11.0930 11.1851 11.2492 11.4245 11.4857 11.7316 11.7718 11.8416 11.8419 11.8644 11.8809 12.0913 12.1081 12.1213 12.1644 12.2169 12.2454 12.3257 12.3576 12.4340 12.4530 12.5923 12.6041 12.6848 12.7286 12.8776 12.8827 13.2008 13.2058 13.2193 13.2570 13.7396 13.7712 13.8864 13.8867 13.9950 14.0426 14.3960 14.4099 14.9958 15.0190 15.1420 15.1531 17.0558 17.0592 k = 0.5000 0.2887 0.2286 ( 3926 PWs) bands (ev): -0.2529 -0.2528 0.1757 0.1758 0.9277 0.9279 5.6876 5.6877 6.9731 6.9753 7.0771 7.0815 7.9829 8.0248 8.5160 8.5504 8.8483 8.8500 9.0398 9.0918 9.2217 9.2327 9.6361 9.6689 9.9116 9.9183 10.1498 10.1528 10.3071 10.3332 10.5353 10.5554 10.7238 10.7646 10.7975 10.8073 10.9247 10.9413 10.9750 11.0290 11.0516 11.0862 11.1920 11.2568 11.4263 11.4879 11.7416 11.7796 11.8298 11.8309 11.8517 11.8668 12.0903 12.1088 12.1151 12.1456 12.2221 12.2464 12.3265 12.3557 12.4292 12.4495 12.5989 12.6123 12.6887 12.7317 12.8757 12.8813 13.1723 13.1864 13.2013 13.2362 13.7222 13.7381 13.9323 13.9415 14.0629 14.1062 14.4027 14.4175 14.9705 14.9956 15.2369 15.2488 17.0317 17.0350 k = 0.5000 0.2887 0.2096 ( 3928 PWs) bands (ev): -0.2761 -0.2761 0.1536 0.1537 0.9117 0.9120 5.6595 5.6597 6.9604 6.9624 7.0893 7.0939 8.0190 8.0622 8.5067 8.5426 8.8438 8.8450 9.0849 9.1338 9.2739 9.2854 9.6733 9.7045 9.8998 9.9070 10.1431 10.1455 10.3158 10.3407 10.5296 10.5491 10.7352 10.7771 10.8122 10.8194 10.9353 10.9496 10.9801 11.0449 11.0500 11.0792 11.1983 11.2637 11.4276 11.4891 11.7512 11.7834 11.8198 11.8206 11.8396 11.8524 12.0775 12.1084 12.1206 12.1285 12.2270 12.2476 12.3275 12.3541 12.4248 12.4462 12.6064 12.6210 12.6925 12.7347 12.8735 12.8797 13.1427 13.1643 13.1843 13.2163 13.6931 13.7025 13.9954 14.0052 14.1289 14.1683 14.4127 14.4277 14.9459 14.9727 15.3364 15.3492 17.0040 17.0074 k = 0.5000 0.2887 0.1905 ( 3928 PWs) bands (ev): -0.2974 -0.2974 0.1333 0.1334 0.8970 0.8972 5.6336 5.6338 6.9481 6.9498 7.0984 7.1030 8.0558 8.1002 8.4971 8.5344 8.8394 8.8402 9.1252 9.1705 9.3236 9.3355 9.7108 9.7399 9.8883 9.8958 10.1368 10.1385 10.3254 10.3488 10.5239 10.5426 10.7465 10.7887 10.8266 10.8305 10.9456 10.9578 10.9831 11.0507 11.0593 11.0730 11.2039 11.2696 11.4284 11.4892 11.7606 11.7799 11.8085 11.8181 11.8285 11.8382 12.0595 12.1055 12.1138 12.1323 12.2314 12.2487 12.3286 12.3525 12.4208 12.4431 12.6145 12.6301 12.6966 12.7378 12.8711 12.8778 13.1134 13.1404 13.1683 13.1977 13.6617 13.6681 14.0657 14.0727 14.1889 14.2237 14.4304 14.4441 14.9219 14.9505 15.4396 15.4533 16.9736 16.9773 k = 0.5000 0.2887 0.1715 ( 3928 PWs) bands (ev): -0.3168 -0.3168 0.1148 0.1149 0.8835 0.8837 5.6101 5.6103 6.9364 6.9379 7.1051 7.1094 8.0925 8.1379 8.4871 8.5259 8.8352 8.8358 9.1608 9.2021 9.3706 9.3827 9.7474 9.7741 9.8773 9.8853 10.1307 10.1319 10.3359 10.3576 10.5180 10.5357 10.7578 10.7992 10.8404 10.8407 10.9554 10.9654 10.9836 11.0544 11.0624 11.0775 11.2087 11.2745 11.4287 11.4882 11.7699 11.7703 11.7972 11.8149 11.8246 11.8253 12.0405 12.0862 12.1208 12.1404 12.2355 12.2497 12.3298 12.3511 12.4174 12.4402 12.6232 12.6394 12.7008 12.7410 12.8685 12.8757 13.0853 13.1157 13.1532 13.1805 13.6310 13.6357 14.1392 14.1418 14.2373 14.2659 14.4618 14.4716 14.8986 14.9289 15.5456 15.5600 16.9410 16.9452 k = 0.5000 0.2887 0.1524 ( 3936 PWs) bands (ev): -0.3343 -0.3342 0.0981 0.0982 0.8714 0.8716 5.5889 5.5891 6.9255 6.9269 7.1099 7.1138 8.1286 8.1749 8.4767 8.5169 8.8313 8.8317 9.1918 9.2288 9.4146 9.4268 9.7811 9.8050 9.8680 9.8762 10.1249 10.1257 10.3470 10.3668 10.5119 10.5285 10.7690 10.8089 10.8497 10.8532 10.9634 10.9718 10.9829 11.0568 11.0607 11.0906 11.2127 11.2779 11.4289 11.4860 11.7588 11.7783 11.7866 11.8051 11.8120 11.8321 12.0214 12.0669 12.1285 12.1486 12.2390 12.2506 12.3311 12.3500 12.4143 12.4372 12.6320 12.6486 12.7052 12.7440 12.8657 12.8733 13.0587 13.0910 13.1393 13.1644 13.6021 13.6059 14.2104 14.2138 14.2703 14.2924 14.5090 14.5133 14.8757 14.9077 15.6531 15.6681 16.9068 16.9115 k = 0.5000 0.2887 0.1334 ( 3936 PWs) bands (ev): -0.3497 -0.3497 0.0834 0.0834 0.8605 0.8607 5.5701 5.5703 6.9157 6.9168 7.1131 7.1167 8.1634 8.2104 8.4659 8.5075 8.8278 8.8280 9.2186 9.2511 9.4556 9.4678 9.8083 9.8257 9.8667 9.8716 10.1197 10.1201 10.3586 10.3765 10.5058 10.5211 10.7802 10.8176 10.8578 10.8653 10.9649 10.9764 10.9865 11.0518 11.0690 11.1031 11.2163 11.2800 11.4291 11.4827 11.7478 11.7734 11.7886 11.7953 11.8018 11.8408 12.0024 12.0478 12.1365 12.1565 12.2422 12.2515 12.3326 12.3489 12.4119 12.4344 12.6411 12.6576 12.7098 12.7470 12.8629 12.8707 13.0341 13.0672 13.1267 13.1495 13.5759 13.5789 14.2723 14.2879 14.2894 14.3123 14.5666 14.5668 14.8531 14.8869 15.7608 15.7761 16.8713 16.8766 k = 0.5000 0.2887 0.1143 ( 3924 PWs) bands (ev): -0.3632 -0.3631 0.0705 0.0706 0.8511 0.8513 5.5537 5.5540 6.9069 6.9079 7.1152 7.1183 8.1966 8.2440 8.4548 8.4975 8.8246 8.8248 9.2414 9.2692 9.4934 9.5053 9.8208 9.8264 9.8787 9.8826 10.1150 10.1151 10.3706 10.3864 10.4996 10.5136 10.7911 10.8251 10.8650 10.8765 10.9598 10.9781 10.9952 11.0485 11.0784 11.1145 11.2197 11.2805 11.4295 11.4786 11.7382 11.7628 11.7863 11.7870 11.8030 11.8502 11.9841 12.0294 12.1445 12.1638 12.2450 12.2523 12.3342 12.3479 12.4102 12.4316 12.6502 12.6661 12.7149 12.7498 12.8602 12.8681 13.0120 13.0446 13.1157 13.1359 13.5526 13.5551 14.2992 14.2999 14.3576 14.3603 14.6256 14.6283 14.8306 14.8660 15.8667 15.8822 16.8353 16.8413 k = 0.5000 0.2887 0.0953 ( 3930 PWs) bands (ev): -0.3746 -0.3746 0.0596 0.0596 0.8431 0.8432 5.5399 5.5401 6.8993 6.9002 7.1166 7.1192 8.2277 8.2751 8.4433 8.4868 8.8219 8.8220 9.2604 9.2836 9.5277 9.5390 9.8175 9.8183 9.8969 9.9043 10.1106 10.1107 10.3825 10.3963 10.4934 10.5059 10.8016 10.8314 10.8715 10.8871 10.9518 10.9766 11.0053 11.0471 11.0882 11.1237 11.2231 11.2793 11.4302 11.4735 11.7301 11.7525 11.7782 11.7790 11.8126 11.8600 11.9663 12.0113 12.1523 12.1700 12.2473 12.2529 12.3358 12.3470 12.4091 12.4287 12.6590 12.6737 12.7201 12.7520 12.8576 12.8652 12.9929 13.0235 13.1063 13.1238 13.5325 13.5345 14.3037 14.3052 14.4184 14.4297 14.6845 14.6881 14.8078 14.8446 15.9685 15.9839 16.7997 16.8063 k = 0.5000 0.2887 0.0762 ( 3924 PWs) bands (ev): -0.3839 -0.3839 0.0506 0.0507 0.8365 0.8366 5.5285 5.5286 6.8931 6.8937 7.1174 7.1195 8.2565 8.3031 8.4317 8.4752 8.8197 8.8197 9.2761 9.2946 9.5582 9.5686 9.8067 9.8098 9.9171 9.9243 10.1069 10.1071 10.3942 10.4058 10.4873 10.4983 10.8116 10.8363 10.8777 10.8974 10.9427 10.9721 11.0153 11.0472 11.0979 11.1305 11.2271 11.2764 11.4317 11.4679 11.7240 11.7431 11.7712 11.7717 11.8236 11.8699 11.9497 11.9939 12.1596 12.1750 12.2493 12.2534 12.3374 12.3462 12.4088 12.4259 12.6673 12.6802 12.7256 12.7535 12.8554 12.8623 12.9772 13.0046 13.0989 13.1132 13.5158 13.5174 14.3055 14.3064 14.4775 14.4950 14.7388 14.7425 14.7842 14.8220 16.0632 16.0780 16.7659 16.7729 k = 0.5000 0.2887 0.0572 ( 3924 PWs) bands (ev): -0.3912 -0.3912 0.0436 0.0437 0.8313 0.8314 5.5196 5.5197 6.8882 6.8886 7.1179 7.1195 8.2828 8.3272 8.4207 8.4627 8.8179 8.8179 9.2885 9.3023 9.5845 9.5934 9.7960 9.7999 9.9346 9.9404 10.1040 10.1042 10.4051 10.4146 10.4816 10.4908 10.8206 10.8396 10.8837 10.9074 10.9333 10.9653 11.0246 11.0477 11.1072 11.1344 11.2320 11.2720 11.4338 11.4620 11.7199 11.7349 11.7656 11.7659 11.8353 11.8790 11.9351 11.9773 12.1661 12.1784 12.2510 12.2538 12.3389 12.3453 12.4092 12.4229 12.6748 12.6852 12.7312 12.7538 12.8537 12.8595 12.9655 12.9880 13.0933 13.1043 13.5027 13.5039 14.3060 14.3064 14.5323 14.5551 14.7591 14.7853 14.7879 14.7978 16.1468 16.1602 16.7355 16.7425 k = 0.5000 0.2887 0.0381 ( 3916 PWs) bands (ev): -0.3964 -0.3964 0.0386 0.0387 0.8277 0.8277 5.5133 5.5134 6.8847 6.8850 7.1182 7.1193 8.3064 8.3446 8.4126 8.4493 8.8166 8.8166 9.2979 9.3071 9.6056 9.6124 9.7869 9.7904 9.9479 9.9520 10.1019 10.1020 10.4147 10.4219 10.4768 10.4838 10.8284 10.8413 10.8901 10.9161 10.9252 10.9572 11.0326 11.0478 11.1157 11.1354 11.2380 11.2663 11.4369 11.4561 11.7178 11.7282 11.7615 11.7616 11.8475 11.8848 11.9254 11.9616 12.1717 12.1802 12.2523 12.2541 12.3404 12.3445 12.4103 12.4200 12.6811 12.6884 12.7367 12.7528 12.8527 12.8569 12.9583 12.9744 13.0899 13.0973 13.4933 13.4941 14.3059 14.3061 14.5819 14.6093 14.7320 14.7697 14.8209 14.8233 16.2146 16.2251 16.7109 16.7169 k = 0.5000 0.2887 0.0191 ( 3924 PWs) bands (ev): -0.3996 -0.3996 0.0356 0.0357 0.8255 0.8255 5.5095 5.5095 6.8825 6.8827 7.1184 7.1190 8.3267 8.3503 8.4125 8.4353 8.8158 8.8158 9.3044 9.3090 9.6202 9.6240 9.7808 9.7829 9.9565 9.9585 10.1006 10.1007 10.4222 10.4262 10.4739 10.4779 10.8346 10.8410 10.8971 10.9129 10.9292 10.9481 11.0390 11.0465 11.1232 11.1335 11.2449 11.2595 11.4407 11.4505 11.7177 11.7230 11.7589 11.7590 11.8600 11.8820 11.9257 11.9471 12.1760 12.1804 12.2531 12.2540 12.3414 12.3435 12.4120 12.4170 12.6858 12.6896 12.7420 12.7504 12.8526 12.8548 12.9557 12.9641 13.0885 13.0922 13.4877 13.4881 14.3057 14.3057 14.6258 14.6560 14.7030 14.7384 14.8434 14.8446 16.2605 16.2665 16.6950 16.6986 k = 0.5000 0.2887-0.0000 ( 3930 PWs) bands (ev): -0.4006 -0.4006 0.0346 0.0346 0.8247 0.8247 5.5082 5.5082 6.8819 6.8819 7.1187 7.1187 8.3425 8.3425 8.4218 8.4218 8.8156 8.8156 9.3081 9.3081 9.6267 9.6267 9.7794 9.7794 9.9601 9.9601 10.1002 10.1002 10.4263 10.4263 10.4742 10.4742 10.8388 10.8388 10.9047 10.9047 10.9386 10.9386 11.0436 11.0436 11.1292 11.1292 11.2522 11.2522 11.4452 11.4452 11.7194 11.7194 11.7580 11.7580 11.8722 11.8722 11.9345 11.9345 12.1790 12.1790 12.2536 12.2536 12.3425 12.3425 12.4143 12.4143 12.6887 12.6887 12.7467 12.7467 12.8533 12.8533 12.9577 12.9577 13.0893 13.0893 13.4860 13.4860 14.3056 14.3056 14.6630 14.6630 14.7038 14.7038 14.8515 14.8515 16.2788 16.2788 16.6906 16.6906 k = 0.3333 0.5774-0.0000 ( 3960 PWs) bands (ev): -0.2792 -0.2792 0.3164 0.3164 0.3164 0.3164 6.3440 6.3440 6.4454 6.4454 6.4681 6.4681 8.4289 8.4289 8.7860 8.7860 8.8000 8.8000 9.3176 9.3176 9.7426 9.7426 9.7426 9.7426 9.7949 9.7949 10.3100 10.3100 10.3538 10.3538 10.5343 10.5343 10.6244 10.6244 10.6349 10.6349 11.0413 11.0413 11.1669 11.1669 11.1778 11.1778 11.5107 11.5107 11.5280 11.5280 11.6314 11.6314 11.6821 11.6821 11.6965 11.6965 12.0539 12.0539 12.1726 12.1726 12.1740 12.1740 12.1925 12.1925 12.4990 12.4990 12.7598 12.7598 12.7705 12.7705 12.8466 12.8466 12.8948 12.8948 13.0847 13.0847 14.1193 14.1193 14.5286 14.5286 14.5868 14.5868 15.1864 15.1864 15.1887 15.1887 15.2354 15.2354 16.8056 16.8056 k = 0.3333 0.5774 0.0191 ( 3948 PWs) bands (ev): -0.2782 -0.2782 0.3173 0.3173 0.3174 0.3174 6.3444 6.3444 6.4463 6.4463 6.4689 6.4692 8.4261 8.4261 8.7846 8.7871 8.7999 8.7999 9.3176 9.3176 9.7381 9.7409 9.7409 9.7420 9.7950 9.7950 10.3101 10.3107 10.3542 10.3542 10.5343 10.5343 10.6223 10.6239 10.6337 10.6337 11.0410 11.0410 11.1649 11.1685 11.1776 11.1776 11.5090 11.5090 11.5192 11.5339 11.6319 11.6319 11.6828 11.6863 11.6988 11.6988 12.0541 12.0541 12.1711 12.1711 12.1754 12.1754 12.1904 12.1950 12.4988 12.4988 12.7528 12.7662 12.7697 12.7697 12.8413 12.8538 12.8961 12.8961 13.0850 13.0850 14.1217 14.1217 14.5288 14.5288 14.5862 14.5871 15.1737 15.1805 15.1805 15.1831 15.2261 15.2261 16.8121 16.8121 k = 0.3333 0.5774 0.0381 ( 3936 PWs) bands (ev): -0.2752 -0.2752 0.3201 0.3201 0.3202 0.3202 6.3456 6.3456 6.4490 6.4490 6.4714 6.4720 8.4175 8.4175 8.7829 8.7879 8.7994 8.7994 9.3175 9.3175 9.7286 9.7352 9.7352 9.7362 9.7954 9.7954 10.3108 10.3120 10.3553 10.3553 10.5341 10.5341 10.6176 10.6207 10.6301 10.6301 11.0399 11.0399 11.1626 11.1696 11.1770 11.1770 11.5041 11.5041 11.5084 11.5362 11.6331 11.6332 11.6886 11.6943 11.7052 11.7052 12.0545 12.0545 12.1689 12.1689 12.1771 12.1771 12.1885 12.1977 12.4983 12.4983 12.7457 12.7674 12.7674 12.7712 12.8386 12.8625 12.8998 12.8998 13.0856 13.0856 14.1287 14.1287 14.5291 14.5291 14.5849 14.5869 15.1459 15.1568 15.1568 15.1645 15.1990 15.1990 16.8291 16.8309 k = 0.3333 0.5774 0.0572 ( 3942 PWs) bands (ev): -0.2702 -0.2702 0.3248 0.3248 0.3248 0.3249 6.3475 6.3475 6.4535 6.4535 6.4758 6.4767 8.4033 8.4033 8.7807 8.7883 8.7986 8.7986 9.3172 9.3172 9.7139 9.7245 9.7245 9.7250 9.7971 9.7971 10.3119 10.3141 10.3569 10.3569 10.5338 10.5338 10.6103 10.6151 10.6243 10.6243 11.0379 11.0379 11.1599 11.1701 11.1759 11.1759 11.4965 11.4967 11.4967 11.5349 11.6349 11.6349 11.6993 11.7051 11.7154 11.7154 12.0551 12.0551 12.1664 12.1664 12.1788 12.1788 12.1867 12.2007 12.4973 12.4973 12.7384 12.7637 12.7637 12.7738 12.8392 12.8722 12.9056 12.9056 13.0865 13.0865 14.1402 14.1402 14.5291 14.5291 14.5824 14.5856 15.1056 15.1197 15.1197 15.1327 15.1559 15.1559 16.8569 16.8603 k = 0.3333 0.5774 0.0762 ( 3942 PWs) bands (ev): -0.2632 -0.2632 0.3313 0.3313 0.3313 0.3314 6.3502 6.3502 6.4598 6.4598 6.4819 6.4831 8.3838 8.3838 8.7782 8.7884 8.7973 8.7973 9.3168 9.3168 9.6941 9.7081 9.7081 9.7086 9.8008 9.8008 10.3134 10.3170 10.3592 10.3592 10.5333 10.5333 10.6010 10.6074 10.6167 10.6167 11.0351 11.0351 11.1568 11.1698 11.1743 11.1743 11.4843 11.4875 11.4875 11.5311 11.6370 11.6370 11.7140 11.7179 11.7285 11.7285 12.0559 12.0559 12.1636 12.1636 12.1803 12.1803 12.1853 12.2039 12.4960 12.4960 12.7315 12.7590 12.7590 12.7740 12.8436 12.8828 12.9133 12.9133 13.0879 13.0879 14.1561 14.1561 14.5280 14.5280 14.5778 14.5820 15.0565 15.0726 15.0726 15.0914 15.0994 15.0994 16.8934 16.8980 k = 0.3333 0.5774 0.0953 ( 3942 PWs) bands (ev): -0.2542 -0.2542 0.3397 0.3397 0.3397 0.3398 6.3534 6.3534 6.4678 6.4678 6.4897 6.4912 8.3593 8.3593 8.7752 8.7880 8.7956 8.7956 9.3163 9.3163 9.6695 9.6861 9.6861 9.6872 9.8065 9.8065 10.3152 10.3205 10.3619 10.3619 10.5324 10.5324 10.5899 10.5980 10.6078 10.6078 11.0314 11.0314 11.1531 11.1686 11.1722 11.1722 11.4723 11.4773 11.4773 11.5255 11.6395 11.6395 11.7317 11.7323 11.7440 11.7440 12.0570 12.0570 12.1604 12.1604 12.1819 12.1819 12.1840 12.2075 12.4946 12.4946 12.7248 12.7536 12.7536 12.7721 12.8512 12.8942 12.9225 12.9225 13.0894 13.0894 14.1763 14.1763 14.5245 14.5245 14.5693 14.5744 15.0032 15.0193 15.0193 15.0326 15.0326 15.0449 16.9360 16.9415 k = 0.3333 0.5774 0.1143 ( 3936 PWs) bands (ev): -0.2433 -0.2433 0.3498 0.3498 0.3498 0.3500 6.3571 6.3571 6.4775 6.4775 6.4993 6.5011 8.3302 8.3302 8.7717 8.7871 8.7934 8.7934 9.3157 9.3157 9.6403 9.6587 9.6587 9.6607 9.8140 9.8140 10.3169 10.3247 10.3650 10.3650 10.5311 10.5311 10.5776 10.5876 10.5981 10.5981 11.0266 11.0266 11.1488 11.1663 11.1695 11.1695 11.4608 11.4665 11.4665 11.5188 11.6423 11.6423 11.7478 11.7514 11.7611 11.7611 12.0581 12.0581 12.1570 12.1570 12.1829 12.1833 12.1833 12.2112 12.4932 12.4932 12.7185 12.7477 12.7477 12.7688 12.8612 12.9064 12.9330 12.9330 13.0912 13.0912 14.2006 14.2006 14.5163 14.5163 14.5546 14.5597 14.9513 14.9557 14.9557 14.9674 14.9674 14.9983 16.9825 16.9885 k = 0.3333 0.5774 0.1334 ( 3930 PWs) bands (ev): -0.2304 -0.2304 0.3618 0.3618 0.3618 0.3620 6.3611 6.3611 6.4889 6.4889 6.5105 6.5127 8.2970 8.2970 8.7675 8.7856 8.7906 8.7906 9.3149 9.3149 9.6063 9.6261 9.6261 9.6295 9.8230 9.8230 10.3185 10.3293 10.3683 10.3683 10.5292 10.5292 10.5645 10.5766 10.5883 10.5883 11.0208 11.0208 11.1438 11.1629 11.1662 11.1662 11.4497 11.4552 11.4552 11.5113 11.6452 11.6452 11.7639 11.7725 11.7793 11.7793 12.0594 12.0594 12.1533 12.1533 12.1823 12.1850 12.1850 12.2155 12.4920 12.4920 12.7125 12.7416 12.7416 12.7648 12.8731 12.9191 12.9445 12.9445 13.0930 13.0930 14.2288 14.2288 14.5007 14.5007 14.5311 14.5344 14.8762 14.8762 14.9067 14.9169 14.9169 14.9566 17.0308 17.0372 k = 0.3333 0.5774 0.1524 ( 3924 PWs) bands (ev): -0.2157 -0.2157 0.3756 0.3756 0.3756 0.3758 6.3652 6.3652 6.5019 6.5019 6.5233 6.5258 8.2601 8.2601 8.7625 8.7832 8.7870 8.7870 9.3139 9.3139 9.5680 9.5889 9.5889 9.5936 9.8331 9.8331 10.3199 10.3345 10.3716 10.3716 10.5263 10.5263 10.5510 10.5655 10.5790 10.5790 11.0139 11.0139 11.1380 11.1582 11.1622 11.1622 11.4392 11.4438 11.4438 11.5036 11.6481 11.6481 11.7805 11.7942 11.7982 11.7982 12.0607 12.0607 12.1494 12.1494 12.1819 12.1866 12.1866 12.2201 12.4911 12.4911 12.7068 12.7353 12.7353 12.7603 12.8864 12.9325 12.9569 12.9569 13.0948 13.0948 14.2604 14.2604 14.4744 14.4744 14.4956 14.4965 14.7929 14.7929 14.8742 14.8764 14.8764 14.9242 17.0798 17.0862 k = 0.3333 0.5774 0.1715 ( 3927 PWs) bands (ev): -0.1990 -0.1990 0.3910 0.3911 0.3911 0.3913 6.3692 6.3692 6.5165 6.5165 6.5376 6.5406 8.2200 8.2200 8.7565 8.7800 8.7825 8.7825 9.3128 9.3128 9.5257 9.5474 9.5474 9.5535 9.8440 9.8440 10.3208 10.3399 10.3749 10.3749 10.5223 10.5223 10.5375 10.5547 10.5709 10.5709 11.0059 11.0059 11.1313 11.1523 11.1575 11.1575 11.4292 11.4324 11.4324 11.4956 11.6510 11.6510 11.7972 11.8161 11.8174 11.8174 12.0620 12.0620 12.1453 12.1453 12.1818 12.1883 12.1883 12.2250 12.4906 12.4906 12.7014 12.7288 12.7288 12.7557 12.9006 12.9463 12.9700 12.9700 13.0964 13.0964 14.2949 14.2949 14.4361 14.4361 14.4432 14.4504 14.7083 14.7083 14.8489 14.8489 14.8554 14.9031 17.1281 17.1346 k = 0.3333 0.5774 0.1905 ( 3933 PWs) bands (ev): -0.1805 -0.1805 0.4083 0.4083 0.4083 0.4085 6.3728 6.3728 6.5325 6.5325 6.5535 6.5568 8.1775 8.1775 8.7493 8.7755 8.7769 8.7769 9.3112 9.3112 9.4796 9.5023 9.5023 9.5095 9.8557 9.8557 10.3212 10.3455 10.3778 10.3778 10.5173 10.5173 10.5244 10.5448 10.5642 10.5642 10.9968 10.9968 11.1237 11.1452 11.1520 11.1520 11.4196 11.4210 11.4210 11.4875 11.6536 11.6536 11.8138 11.8364 11.8364 11.8378 12.0631 12.0631 12.1412 12.1412 12.1821 12.1902 12.1902 12.2303 12.4905 12.4905 12.6962 12.7223 12.7223 12.7510 12.9155 12.9604 12.9835 12.9835 13.0978 13.0978 14.3290 14.3290 14.3803 14.3895 14.3895 14.3946 14.6240 14.6240 14.8345 14.8345 14.8486 14.8927 17.1755 17.1817 k = 0.3333 0.5774 0.2096 ( 3933 PWs) bands (ev): -0.1602 -0.1602 0.4271 0.4272 0.4272 0.4275 6.3757 6.3757 6.5499 6.5499 6.5707 6.5744 8.1331 8.1331 8.7406 8.7696 8.7698 8.7698 9.3092 9.3092 9.4306 9.4544 9.4544 9.4624 9.8680 9.8680 10.3209 10.3511 10.3803 10.3803 10.5116 10.5116 10.5120 10.5360 10.5590 10.5590 10.9866 10.9866 11.1153 11.1371 11.1459 11.1459 11.4097 11.4097 11.4103 11.4794 11.6560 11.6560 11.8301 11.8552 11.8552 11.8591 12.0640 12.0640 12.1373 12.1373 12.1829 12.1924 12.1924 12.2361 12.4910 12.4910 12.6913 12.7159 12.7159 12.7465 12.9311 12.9748 12.9974 12.9974 13.0987 13.0987 14.3110 14.3161 14.3161 14.3322 14.3841 14.3841 14.5415 14.5415 14.8313 14.8313 14.8506 14.8913 17.2214 17.2274 k = 0.3333 0.5774 0.2286 ( 3942 PWs) bands (ev): -0.1380 -0.1380 0.4476 0.4477 0.4477 0.4480 6.3774 6.3774 6.5686 6.5686 6.5891 6.5933 8.0876 8.0876 8.7301 8.7610 8.7610 8.7617 9.3060 9.3060 9.3789 9.4050 9.4050 9.4126 9.8806 9.8806 10.3199 10.3565 10.3820 10.3820 10.5008 10.5059 10.5059 10.5286 10.5550 10.5550 10.9754 10.9754 11.1061 11.1281 11.1390 11.1390 11.3985 11.3985 11.4012 11.4712 11.6580 11.6580 11.8458 11.8733 11.8733 11.8794 12.0643 12.0643 12.1337 12.1337 12.1842 12.1948 12.1948 12.2422 12.4923 12.4923 12.6865 12.7095 12.7095 12.7419 12.9470 12.9893 13.0112 13.0112 13.0991 13.0991 14.2388 14.2553 14.2553 14.2663 14.4215 14.4215 14.4644 14.4644 14.8363 14.8363 14.8588 14.8964 17.2658 17.2715 k = 0.3333 0.5774 0.2477 ( 3936 PWs) bands (ev): -0.1142 -0.1142 0.4697 0.4698 0.4698 0.4701 6.3776 6.3776 6.5885 6.5885 6.6087 6.6134 8.0416 8.0416 8.7173 8.7499 8.7499 8.7515 9.2985 9.2985 9.3257 9.3580 9.3580 9.3611 9.8936 9.8936 10.3183 10.3616 10.3830 10.3830 10.4911 10.5009 10.5009 10.5227 10.5519 10.5519 10.9633 10.9633 11.0963 11.1183 11.1317 11.1317 11.3875 11.3875 11.3923 11.4631 11.6593 11.6593 11.8609 11.8905 11.8905 11.8985 12.0641 12.0641 12.1311 12.1311 12.1862 12.1977 12.1977 12.2488 12.4942 12.4942 12.6819 12.7032 12.7032 12.7375 12.9631 13.0037 13.0249 13.0249 13.0989 13.0989 14.1663 14.1896 14.1896 14.1995 14.3812 14.3812 14.4740 14.4740 14.8471 14.8471 14.8712 14.9063 17.3089 17.3141 k = 0.3333 0.5774 0.2667 ( 3936 PWs) bands (ev): -0.0887 -0.0887 0.4934 0.4935 0.4935 0.4938 6.3758 6.3758 6.6093 6.6093 6.6293 6.6345 7.9960 7.9960 8.7018 8.7361 8.7361 8.7382 9.2719 9.2742 9.2742 9.3086 9.3270 9.3270 9.9068 9.9068 10.3159 10.3659 10.3828 10.3828 10.4831 10.4970 10.4970 10.5185 10.5492 10.5492 10.9503 10.9503 11.0857 11.1079 11.1237 11.1237 11.3764 11.3764 11.3832 11.4547 11.6597 11.6597 11.8750 11.9064 11.9064 11.9161 12.0630 12.0630 12.1294 12.1294 12.1889 12.2010 12.2010 12.2557 12.4969 12.4969 12.6773 12.6969 12.6969 12.7331 12.9791 13.0178 13.0377 13.0377 13.0981 13.0981 14.0954 14.1238 14.1238 14.1337 14.3097 14.3097 14.5221 14.5221 14.8618 14.8618 14.8866 14.9195 17.3504 17.3565 k = 0.3333 0.5774 0.2858 ( 3936 PWs) bands (ev): -0.0615 -0.0615 0.5185 0.5186 0.5186 0.5189 6.3715 6.3715 6.6311 6.6311 6.6508 6.6565 7.9515 7.9515 8.6828 8.7187 8.7187 8.7210 9.2188 9.2295 9.2295 9.2564 9.3167 9.3167 9.9201 9.9201 10.3131 10.3692 10.3816 10.3816 10.4774 10.4947 10.4947 10.5158 10.5468 10.5468 10.9365 10.9365 11.0745 11.0970 11.1152 11.1152 11.3655 11.3655 11.3742 11.4464 11.6591 11.6591 11.8880 11.9208 11.9208 11.9318 12.0610 12.0610 12.1292 12.1292 12.1926 12.2048 12.2048 12.2631 12.5002 12.5002 12.6727 12.6907 12.6907 12.7288 12.9948 13.0314 13.0489 13.0489 13.0972 13.0972 14.0273 14.0598 14.0598 14.0704 14.2420 14.2420 14.5734 14.5734 14.8792 14.8792 14.9038 14.9349 17.3928 17.3951 k = 0.3333 0.5774 0.3048 ( 3936 PWs) bands (ev): -0.0328 -0.0328 0.5449 0.5451 0.5451 0.5454 6.3640 6.3640 6.6534 6.6534 6.6729 6.6792 7.9090 7.9090 8.6598 8.6969 8.6969 8.6989 9.1678 9.1802 9.1802 9.2055 9.3126 9.3126 9.9335 9.9335 10.3099 10.3712 10.3793 10.3793 10.4740 10.4939 10.4939 10.5146 10.5445 10.5445 10.9219 10.9219 11.0628 11.0857 11.1063 11.1063 11.3547 11.3547 11.3651 11.4379 11.6574 11.6574 11.8997 11.9334 11.9334 11.9453 12.0581 12.0581 12.1305 12.1305 12.1972 12.2094 12.2094 12.2709 12.5042 12.5042 12.6681 12.6846 12.6846 12.7245 13.0096 13.0440 13.0567 13.0567 13.0971 13.0971 13.9633 13.9993 13.9993 14.0108 14.1796 14.1796 14.6268 14.6268 14.8982 14.8982 14.9222 14.9517 17.4305 17.4340 k = 0.3333 0.5774 0.3239 ( 3936 PWs) bands (ev): -0.0026 -0.0026 0.5728 0.5729 0.5729 0.5732 6.3529 6.3529 6.6762 6.6762 6.6955 6.7023 7.8692 7.8692 8.6321 8.6700 8.6700 8.6710 9.1202 9.1323 9.1323 9.1571 9.3101 9.3101 9.9468 9.9468 10.3064 10.3718 10.3762 10.3762 10.4733 10.4947 10.4947 10.5146 10.5422 10.5422 10.9068 10.9068 11.0508 11.0742 11.0971 11.0971 11.3438 11.3438 11.3559 11.4293 11.6543 11.6543 11.9100 11.9439 11.9439 11.9563 12.0543 12.0543 12.1333 12.1333 12.2030 12.2147 12.2147 12.2791 12.5087 12.5087 12.6635 12.6785 12.6785 12.7203 13.0233 13.0552 13.0593 13.0593 13.0994 13.0994 13.9043 13.9431 13.9431 13.9558 14.1228 14.1228 14.6821 14.6821 14.9181 14.9181 14.9412 14.9692 17.4688 17.4704 k = 0.3333 0.5774 0.3430 ( 3939 PWs) bands (ev): 0.0290 0.0290 0.6018 0.6020 0.6020 0.6023 6.3375 6.3375 6.6992 6.6992 6.7182 6.7257 7.8331 7.8331 8.5992 8.6366 8.6372 8.6372 9.0775 9.0880 9.0880 9.1123 9.3082 9.3082 9.9600 9.9600 10.3029 10.3709 10.3725 10.3725 10.4750 10.4968 10.4968 10.5158 10.5398 10.5398 10.8911 10.8911 11.0383 11.0624 11.0876 11.0876 11.3331 11.3331 11.3466 11.4207 11.6497 11.6497 11.9186 11.9520 11.9520 11.9647 12.0499 12.0499 12.1374 12.1374 12.2100 12.2209 12.2209 12.2876 12.5137 12.5137 12.6588 12.6726 12.6726 12.7161 13.0354 13.0560 13.0560 13.0648 13.1039 13.1039 13.8511 13.8923 13.8923 13.9063 14.0719 14.0719 14.7390 14.7390 14.9383 14.9383 14.9602 14.9869 17.5054 17.5057 k = 0.3333 0.5774 0.3620 ( 3945 PWs) bands (ev): 0.0620 0.0620 0.6321 0.6322 0.6322 0.6326 6.3174 6.3174 6.7220 6.7220 6.7407 6.7490 7.8012 7.8012 8.5610 8.5955 8.5984 8.5984 9.0403 9.0485 9.0485 9.0718 9.3064 9.3064 9.9732 9.9732 10.2995 10.3684 10.3684 10.3690 10.4790 10.4998 10.4999 10.5179 10.5375 10.5375 10.8750 10.8750 11.0255 11.0506 11.0779 11.0779 11.3224 11.3224 11.3372 11.4119 11.6434 11.6434 11.9255 11.9575 11.9575 11.9702 12.0451 12.0451 12.1429 12.1429 12.2181 12.2279 12.2279 12.2964 12.5192 12.5192 12.6539 12.6667 12.6667 12.7119 13.0452 13.0484 13.0484 13.0723 13.1088 13.1088 13.8044 13.8476 13.8476 13.8630 14.0270 14.0270 14.7972 14.7972 14.9582 14.9582 14.9787 15.0041 17.5276 17.5276 k = 0.3333 0.5774 0.3811 ( 3951 PWs) bands (ev): 0.0962 0.0962 0.6634 0.6636 0.6636 0.6639 6.2923 6.2923 6.7444 6.7444 6.7628 6.7719 7.7742 7.7742 8.5179 8.5483 8.5539 8.5539 9.0088 9.0142 9.0142 9.0360 9.3048 9.3048 9.9862 9.9862 10.2964 10.3643 10.3643 10.3663 10.4846 10.5036 10.5036 10.5207 10.5352 10.5352 10.8585 10.8585 11.0126 11.0387 11.0682 11.0682 11.3117 11.3117 11.3278 11.4031 11.6356 11.6356 11.9305 11.9602 11.9602 11.9727 12.0402 12.0402 12.1494 12.1494 12.2272 12.2359 12.2359 12.3055 12.5251 12.5251 12.6490 12.6611 12.6611 12.7078 13.0377 13.0377 13.0524 13.0772 13.1123 13.1123 13.7650 13.8097 13.8097 13.8264 13.9882 13.9882 14.8566 14.8566 14.9772 14.9772 14.9962 15.0204 17.4865 17.4865 k = 0.3333 0.5774 0.4001 ( 3945 PWs) bands (ev): 0.1316 0.1316 0.6957 0.6959 0.6959 0.6962 6.2620 6.2620 6.7658 6.7658 6.7841 6.7939 7.7525 7.7525 8.4705 8.4962 8.5048 8.5048 8.9823 8.9848 8.9848 9.0047 9.3034 9.3034 9.9990 9.9990 10.2937 10.3603 10.3603 10.3632 10.4917 10.5078 10.5078 10.5242 10.5330 10.5330 10.8419 10.8419 10.9995 11.0270 11.0585 11.0585 11.3011 11.3011 11.3184 11.3943 11.6261 11.6261 11.9334 11.9602 11.9602 11.9723 12.0354 12.0354 12.1568 12.1568 12.2374 12.2448 12.2448 12.3149 12.5315 12.5315 12.6441 12.6557 12.6557 12.7038 13.0248 13.0248 13.0563 13.0793 13.1133 13.1133 13.7335 13.7792 13.7792 13.7971 13.9552 13.9552 14.9169 14.9169 14.9950 14.9950 15.0123 15.0352 17.4128 17.4128 k = 0.3333 0.5774 0.4192 ( 3945 PWs) bands (ev): 0.1680 0.1680 0.7288 0.7290 0.7290 0.7294 6.2264 6.2264 6.7860 6.7860 6.8039 6.8146 7.7364 7.7364 8.4201 8.4410 8.4526 8.4526 8.9596 8.9596 8.9600 8.9775 9.3019 9.3019 10.0116 10.0116 10.2914 10.3565 10.3565 10.3601 10.4997 10.5118 10.5118 10.5281 10.5312 10.5312 10.8251 10.8251 10.9864 11.0154 11.0488 11.0488 11.2906 11.2906 11.3090 11.3854 11.6149 11.6149 11.9343 11.9574 11.9574 11.9690 12.0305 12.0305 12.1651 12.1651 12.2482 12.2546 12.2546 12.3245 12.5379 12.5379 12.6391 12.6506 12.6506 12.6999 13.0102 13.0102 13.0567 13.0782 13.1111 13.1111 13.7101 13.7563 13.7563 13.7752 13.9277 13.9277 14.9770 14.9770 15.0119 15.0119 15.0264 15.0480 17.3184 17.3184 k = 0.3333 0.5774 0.4382 ( 3939 PWs) bands (ev): 0.2053 0.2053 0.7627 0.7629 0.7629 0.7633 6.1857 6.1857 6.8042 6.8042 6.8220 6.8335 7.7258 7.7258 8.3684 8.3843 8.3989 8.3989 8.9377 8.9377 8.9408 8.9537 9.3006 9.3006 10.0240 10.0240 10.2898 10.3531 10.3531 10.3571 10.5085 10.5149 10.5149 10.5305 10.5305 10.5323 10.8082 10.8082 10.9734 11.0041 11.0394 11.0394 11.2801 11.2801 11.2998 11.3765 11.6022 11.6022 11.9329 11.9520 11.9520 11.9630 12.0257 12.0257 12.1740 12.1740 12.2596 12.2651 12.2651 12.3343 12.5446 12.5446 12.6341 12.6458 12.6458 12.6961 12.9943 12.9943 13.0535 13.0742 13.1055 13.1055 13.6950 13.7410 13.7410 13.7607 13.9053 13.9053 15.0193 15.0193 15.0380 15.0447 15.0447 15.0584 17.2101 17.2101 k = 0.3333 0.5774 0.4573 ( 3951 PWs) bands (ev): 0.2433 0.2433 0.7972 0.7974 0.7974 0.7978 6.1401 6.1401 6.8200 6.8200 6.8375 6.8500 7.7206 7.7206 8.3166 8.3280 8.3454 8.3454 8.9183 8.9183 8.9240 8.9326 9.2993 9.2993 10.0361 10.0361 10.2887 10.3502 10.3502 10.3544 10.5158 10.5158 10.5177 10.5319 10.5319 10.5366 10.7915 10.7915 10.9604 10.9929 11.0303 11.0303 11.2698 11.2698 11.2908 11.3677 11.5879 11.5879 11.9292 11.9440 11.9440 11.9541 12.0209 12.0209 12.1835 12.1835 12.2712 12.2760 12.2760 12.3440 12.5512 12.5512 12.6291 12.6414 12.6414 12.6924 12.9773 12.9773 13.0468 13.0673 13.0967 13.0967 13.6876 13.7331 13.7331 13.7531 13.8876 13.8876 15.0318 15.0318 15.0468 15.0658 15.1049 15.1049 17.0939 17.0939 k = 0.3333 0.5774 0.4763 ( 3951 PWs) bands (ev): 0.2821 0.2821 0.8322 0.8324 0.8324 0.8328 6.0903 6.0903 6.8327 6.8327 6.8500 6.8634 7.7206 7.7206 8.2664 8.2736 8.2938 8.2938 8.9007 8.9007 8.9088 8.9136 9.2980 9.2980 10.0479 10.0479 10.2884 10.3477 10.3477 10.3521 10.5145 10.5145 10.5272 10.5353 10.5353 10.5410 10.7749 10.7749 10.9476 10.9822 11.0215 11.0215 11.2595 11.2595 11.2821 11.3591 11.5724 11.5724 11.9231 11.9335 11.9335 11.9427 12.0162 12.0162 12.1934 12.1934 12.2831 12.2874 12.2874 12.3537 12.5579 12.5579 12.6244 12.6377 12.6377 12.6891 12.9599 12.9599 13.0372 13.0580 13.0850 13.0850 13.6876 13.7319 13.7319 13.7522 13.8741 13.8741 15.0392 15.0392 15.0522 15.0699 15.1673 15.1673 16.9741 16.9741 k = 0.3333 0.5774 0.4954 ( 3951 PWs) bands (ev): 0.3213 0.3213 0.8675 0.8677 0.8677 0.8681 6.0368 6.0368 6.8417 6.8417 6.8587 6.8730 7.7253 7.7253 8.2193 8.2228 8.2455 8.2455 8.8843 8.8843 8.8947 8.8962 9.2968 9.2968 10.0594 10.0594 10.2888 10.3459 10.3459 10.3504 10.5119 10.5119 10.5369 10.5395 10.5395 10.5453 10.7585 10.7585 10.9352 10.9718 11.0133 11.0133 11.2495 11.2495 11.2738 11.3506 11.5558 11.5558 11.9145 11.9206 11.9206 11.9288 12.0116 12.0116 12.2036 12.2036 12.2949 12.2991 12.2991 12.3634 12.5645 12.5645 12.6200 12.6346 12.6346 12.6861 12.9422 12.9422 13.0252 13.0468 13.0710 13.0710 13.6940 13.7368 13.7368 13.7571 13.8642 13.8642 15.0425 15.0425 15.0539 15.0703 15.2299 15.2299 16.8534 16.8534 k = 0.3333 0.5774 0.5144 ( 3939 PWs) bands (ev): 0.3609 0.3609 0.9030 0.9032 0.9032 0.9036 5.9802 5.9802 6.8463 6.8463 6.8631 6.8781 7.7343 7.7343 8.1766 8.1767 8.2019 8.2019 8.8687 8.8687 8.8798 8.8812 9.2957 9.2957 10.0707 10.0707 10.2900 10.3447 10.3447 10.3493 10.5087 10.5087 10.5440 10.5440 10.5464 10.5494 10.7426 10.7426 10.9231 10.9620 11.0057 11.0057 11.2397 11.2397 11.2660 11.3424 11.5384 11.5384 11.9036 11.9055 11.9055 11.9125 12.0072 12.0072 12.2140 12.2140 12.3068 12.3110 12.3110 12.3730 12.5709 12.5709 12.6162 12.6324 12.6324 12.6835 12.9247 12.9247 13.0117 13.0343 13.0554 13.0554 13.7061 13.7468 13.7468 13.7671 13.8576 13.8576 15.0417 15.0417 15.0515 15.0666 15.2926 15.2926 16.7339 16.7339 k = 0.3333 0.5774 0.5335 ( 3948 PWs) bands (ev): 0.4006 0.4006 0.9385 0.9387 0.9387 0.9391 5.9213 5.9213 6.8460 6.8460 6.8625 6.8782 7.7469 7.7469 8.1367 8.1394 8.1642 8.1642 8.8534 8.8534 8.8642 8.8679 9.2946 9.2946 10.0815 10.0815 10.2920 10.3441 10.3441 10.3487 10.5050 10.5050 10.5481 10.5481 10.5531 10.5557 10.7270 10.7270 10.9114 10.9525 10.9987 10.9987 11.2300 11.2300 11.2586 11.3345 11.5202 11.5202 11.8881 11.8881 11.8903 11.8939 12.0029 12.0029 12.2245 12.2245 12.3182 12.3228 12.3228 12.3822 12.5768 12.5768 12.6129 12.6309 12.6309 12.6814 12.9074 12.9074 12.9972 13.0210 13.0387 13.0387 13.7229 13.7609 13.7609 13.7815 13.8539 13.8539 15.0365 15.0365 15.0449 15.0587 15.3548 15.3548 16.6167 16.6167 k = 0.3333 0.5774 0.5525 ( 3948 PWs) bands (ev): 0.4403 0.4403 0.9738 0.9741 0.9741 0.9744 5.8608 5.8608 6.8405 6.8405 6.8567 6.8728 7.7627 7.7627 8.1034 8.1086 8.1331 8.1331 8.8382 8.8382 8.8490 8.8548 9.2935 9.2935 10.0920 10.0920 10.2948 10.3442 10.3442 10.3489 10.5010 10.5010 10.5518 10.5518 10.5564 10.5646 10.7121 10.7121 10.9004 10.9436 10.9925 10.9925 11.2206 11.2206 11.2519 11.3270 11.5017 11.5017 11.8686 11.8686 11.8731 11.8746 11.9988 11.9988 12.2351 12.2351 12.3294 12.3344 12.3344 12.3911 12.5825 12.5825 12.6104 12.6306 12.6306 12.6798 12.8907 12.8907 12.9821 13.0071 13.0214 13.0214 13.7436 13.7783 13.7783 13.7996 13.8527 13.8527 15.0270 15.0270 15.0340 15.0464 15.4165 15.4165 16.5030 16.5030 k = 0.3333 0.5774 0.5716 ( 3936 PWs) bands (ev): 0.4797 0.4797 1.0088 1.0090 1.0090 1.0094 5.7994 5.7994 6.8296 6.8296 6.8456 6.8619 7.7810 7.7810 8.0776 8.0848 8.1092 8.1092 8.8230 8.8230 8.8341 8.8415 9.2926 9.2926 10.1022 10.1023 10.2986 10.3450 10.3450 10.3498 10.4967 10.4967 10.5548 10.5548 10.5592 10.5728 10.6978 10.6978 10.8901 10.9353 10.9873 10.9873 11.2117 11.2117 11.2462 11.3202 11.4831 11.4831 11.8473 11.8473 11.8506 11.8568 11.9950 11.9950 12.2455 12.2455 12.3402 12.3459 12.3459 12.3995 12.5877 12.5877 12.6088 12.6314 12.6314 12.6789 12.8746 12.8746 12.9672 12.9933 13.0040 13.0040 13.7675 13.7978 13.7978 13.8207 13.8544 13.8544 15.0132 15.0132 15.0187 15.0298 15.4773 15.4773 16.3934 16.3934 k = 0.3333 0.5774 0.5906 ( 3942 PWs) bands (ev): 0.5187 0.5187 1.0432 1.0435 1.0435 1.0438 5.7378 5.7378 6.8134 6.8134 6.8292 6.8454 7.8013 7.8013 8.0594 8.0680 8.0927 8.0927 8.8074 8.8074 8.8192 8.8280 9.2917 9.2917 10.1121 10.1121 10.3032 10.3464 10.3464 10.3513 10.4920 10.4920 10.5569 10.5569 10.5613 10.5801 10.6841 10.6841 10.8806 10.9276 10.9830 10.9830 11.2030 11.2030 11.2411 11.3138 11.4645 11.4645 11.8243 11.8243 11.8262 11.8369 11.9914 11.9914 12.2557 12.2557 12.3506 12.3570 12.3570 12.4075 12.5924 12.5924 12.6081 12.6331 12.6331 12.6785 12.8593 12.8593 12.9524 12.9796 12.9867 12.9867 13.7940 13.8175 13.8175 13.8445 13.8597 13.8597 14.9951 14.9951 14.9991 15.0088 15.5370 15.5370 16.2883 16.2883 k = 0.3333 0.5774 0.6097 ( 3963 PWs) bands (ev): 0.5570 0.5570 1.0769 1.0771 1.0771 1.0775 5.6767 5.6767 6.7925 6.7925 6.8081 6.8238 7.8230 7.8230 8.0485 8.0582 8.0834 8.0834 8.7914 8.7914 8.8042 8.8141 9.2908 9.2908 10.1216 10.1216 10.3087 10.3485 10.3485 10.3536 10.4869 10.4869 10.5580 10.5580 10.5625 10.5862 10.6710 10.6710 10.8721 10.9204 10.9797 10.9797 11.1947 11.1947 11.2370 11.3080 11.4463 11.4463 11.7997 11.7997 11.8005 11.8152 11.9881 11.9881 12.2655 12.2655 12.3605 12.3676 12.3676 12.4147 12.5967 12.5967 12.6083 12.6356 12.6356 12.6785 12.8449 12.8449 12.9381 12.9662 12.9697 12.9697 13.8226 13.8338 13.8338 13.8703 13.8716 13.8716 14.9730 14.9730 14.9755 14.9839 15.5951 15.5951 16.1884 16.1884 k = 0.3333 0.5774 0.6288 ( 3945 PWs) bands (ev): 0.5943 0.5943 1.1096 1.1098 1.1098 1.1102 5.6166 5.6166 6.7676 6.7676 6.7829 6.7981 7.8459 7.8459 8.0446 8.0549 8.0810 8.0810 8.7751 8.7751 8.7892 8.7999 9.2900 9.2900 10.1309 10.1309 10.3151 10.3514 10.3514 10.3566 10.4816 10.4816 10.5583 10.5583 10.5631 10.5911 10.6589 10.6589 10.8647 10.9139 10.9775 10.9775 11.1869 11.1869 11.2340 11.3031 11.4289 11.4289 11.7737 11.7742 11.7742 11.7921 11.9852 11.9852 12.2752 12.2752 12.3701 12.3779 12.3779 12.4215 12.6011 12.6011 12.6099 12.6390 12.6390 12.6795 12.8316 12.8316 12.9245 12.9533 12.9533 12.9534 13.8444 13.8444 13.8531 13.8919 13.8919 13.8981 14.9474 14.9474 14.9484 14.9555 15.6516 15.6516 16.0940 16.0940 k = 0.3333 0.5774 0.6478 ( 3945 PWs) bands (ev): 0.6305 0.6305 1.1411 1.1414 1.1414 1.1417 5.5582 5.5582 6.7395 6.7395 6.7546 6.7690 7.8691 7.8691 8.0467 8.0575 8.0847 8.0847 8.7582 8.7582 8.7740 8.7853 9.2893 9.2893 10.1397 10.1397 10.3224 10.3548 10.3548 10.3603 10.4759 10.4759 10.5576 10.5576 10.5627 10.5944 10.6475 10.6475 10.8587 10.9080 10.9764 10.9764 11.1797 11.1797 11.2322 11.2990 11.4122 11.4122 11.7460 11.7477 11.7477 11.7676 11.9825 11.9825 12.2842 12.2842 12.3791 12.3875 12.3875 12.4274 12.6053 12.6053 12.6124 12.6429 12.6429 12.6808 12.8192 12.8192 12.9116 12.9374 12.9374 12.9410 13.8516 13.8516 13.8851 13.9176 13.9176 13.9273 14.9181 14.9186 14.9186 14.9238 15.7058 15.7058 16.0055 16.0055 k = 0.3333 0.5774 0.6669 ( 3951 PWs) bands (ev): 0.6652 0.6652 1.1712 1.1715 1.1715 1.1718 5.5021 5.5021 6.7093 6.7093 6.7243 6.7376 7.8925 7.8925 8.0541 8.0650 8.0937 8.0937 8.7407 8.7407 8.7586 8.7702 9.2886 9.2886 10.1482 10.1482 10.3304 10.3588 10.3588 10.3647 10.4700 10.4700 10.5560 10.5560 10.5614 10.5959 10.6368 10.6368 10.8540 10.9027 10.9763 10.9763 11.1730 11.1730 11.2315 11.2959 11.3966 11.3966 11.7178 11.7206 11.7206 11.7421 11.9800 11.9800 12.2927 12.2927 12.3875 12.3964 12.3964 12.4326 12.6096 12.6096 12.6160 12.6469 12.6469 12.6825 12.8079 12.8079 12.8994 12.9221 12.9221 12.9291 13.8575 13.8575 13.9183 13.9460 13.9460 13.9577 14.8850 14.8871 14.8871 14.8894 15.7572 15.7572 15.9234 15.9234 k = 0.3333 0.5774 0.6859 ( 3954 PWs) bands (ev): 0.6981 0.6981 1.1997 1.1999 1.1999 1.2002 5.4489 5.4489 6.6779 6.6779 6.6929 6.7051 7.9154 7.9154 8.0657 8.0764 8.1072 8.1072 8.7228 8.7228 8.7431 8.7549 9.2879 9.2879 10.1564 10.1564 10.3392 10.3633 10.3633 10.3697 10.4637 10.4637 10.5538 10.5538 10.5592 10.5955 10.6267 10.6267 10.8507 10.8979 10.9771 10.9771 11.1670 11.1670 11.2322 11.2937 11.3824 11.3824 11.6895 11.6934 11.6934 11.7160 11.9778 11.9778 12.3006 12.3006 12.3955 12.4048 12.4048 12.4371 12.6141 12.6141 12.6204 12.6510 12.6510 12.6846 12.7975 12.7975 12.8880 12.9075 12.9075 12.9177 13.8630 13.8630 13.9524 13.9760 13.9760 13.9892 14.8496 14.8527 14.8536 14.8536 15.8022 15.8022 15.8513 15.8513 k = 0.3333 0.5774 0.7050 ( 3957 PWs) bands (ev): 0.7290 0.7290 1.2263 1.2265 1.2265 1.2268 5.3989 5.3989 6.6465 6.6465 6.6614 6.6724 7.9375 7.9375 8.0806 8.0910 8.1241 8.1241 8.7044 8.7044 8.7275 8.7393 9.2874 9.2874 10.1642 10.1642 10.3487 10.3683 10.3683 10.3754 10.4573 10.4573 10.5511 10.5511 10.5562 10.5933 10.6171 10.6171 10.8487 10.8936 10.9786 10.9786 11.1616 11.1616 11.2342 11.2926 11.3695 11.3695 11.6615 11.6663 11.6663 11.6896 11.9759 11.9759 12.3079 12.3079 12.4030 12.4123 12.4123 12.4409 12.6189 12.6189 12.6258 12.6552 12.6552 12.6870 12.7883 12.7883 12.8774 12.8936 12.8936 12.9069 13.8682 13.8682 13.9873 14.0068 14.0068 14.0213 14.8127 14.8144 14.8185 14.8185 15.7723 15.7723 15.8574 15.8574 k = 0.3333 0.5774 0.7240 ( 3957 PWs) bands (ev): 0.7577 0.7577 1.2508 1.2511 1.2511 1.2513 5.3527 5.3527 6.6159 6.6159 6.6309 6.6407 7.9584 7.9584 8.0976 8.1076 8.1436 8.1436 8.6856 8.6856 8.7121 8.7236 9.2869 9.2869 10.1717 10.1717 10.3587 10.3736 10.3736 10.3815 10.4507 10.4507 10.5481 10.5481 10.5524 10.5893 10.6079 10.6079 10.8481 10.8897 10.9809 10.9809 11.1570 11.1570 11.2376 11.2925 11.3582 11.3582 11.6342 11.6399 11.6399 11.6634 11.9741 11.9741 12.3145 12.3145 12.4100 12.4191 12.4191 12.4439 12.6238 12.6238 12.6319 12.6593 12.6593 12.6895 12.7801 12.7801 12.8678 12.8805 12.8805 12.8966 13.8733 13.8733 14.0227 14.0381 14.0381 14.0541 14.7746 14.7750 14.7825 14.7825 15.7109 15.7109 15.8984 15.8984 k = 0.3333 0.5774 0.7431 ( 3945 PWs) bands (ev): 0.7837 0.7837 1.2731 1.2733 1.2733 1.2735 5.3108 5.3108 6.5870 6.5870 6.6021 6.6106 7.9778 7.9778 8.1160 8.1254 8.1648 8.1648 8.6668 8.6668 8.6971 8.7081 9.2866 9.2866 10.1787 10.1787 10.3693 10.3791 10.3791 10.3881 10.4443 10.4443 10.5453 10.5453 10.5480 10.5836 10.5990 10.5990 10.8485 10.8862 10.9836 10.9836 11.1532 11.1532 11.2424 11.2933 11.3487 11.3487 11.6082 11.6147 11.6147 11.6376 11.9727 11.9727 12.3204 12.3204 12.4164 12.4252 12.4252 12.4463 12.6288 12.6288 12.6387 12.6634 12.6634 12.6919 12.7731 12.7731 12.8592 12.8682 12.8682 12.8869 13.8780 13.8780 14.0584 14.0695 14.0695 14.0870 14.7353 14.7361 14.7464 14.7464 15.6551 15.6551 15.9368 15.9368 k = 0.3333 0.5774 0.7621 ( 3945 PWs) bands (ev): 0.8069 0.8069 1.2928 1.2930 1.2930 1.2932 5.2736 5.2736 6.5605 6.5605 6.5757 6.5831 7.9954 7.9954 8.1348 8.1434 8.1868 8.1868 8.6480 8.6480 8.6827 8.6929 9.2862 9.2862 10.1852 10.1852 10.3800 10.3847 10.3847 10.3949 10.4380 10.4380 10.5428 10.5428 10.5431 10.5765 10.5904 10.5904 10.8498 10.8829 10.9864 10.9864 11.1501 11.1501 11.2483 11.2949 11.3407 11.3407 11.5839 11.5909 11.5909 11.6128 11.9714 11.9714 12.3254 12.3254 12.4223 12.4304 12.4304 12.4481 12.6335 12.6335 12.6457 12.6672 12.6672 12.6939 12.7671 12.7671 12.8517 12.8568 12.8568 12.8777 13.8824 13.8824 14.0940 14.1004 14.1004 14.1198 14.6956 14.6977 14.7106 14.7106 15.6061 15.6061 15.9712 15.9712 k = 0.3333 0.5774 0.7812 ( 3945 PWs) bands (ev): 0.8271 0.8271 1.3099 1.3101 1.3101 1.3102 5.2414 5.2414 6.5370 6.5370 6.5525 6.5586 8.0107 8.0107 8.1531 8.1608 8.2086 8.2086 8.6297 8.6297 8.6693 8.6785 9.2859 9.2859 10.1910 10.1910 10.3900 10.3900 10.3906 10.4019 10.4321 10.4321 10.5382 10.5409 10.5409 10.5684 10.5822 10.5822 10.8518 10.8798 10.9893 10.9893 11.1477 11.1477 11.2552 11.2968 11.3345 11.3345 11.5619 11.5692 11.5692 11.5894 11.9704 11.9704 12.3297 12.3297 12.4275 12.4349 12.4349 12.4491 12.6378 12.6378 12.6530 12.6709 12.6709 12.6953 12.7621 12.7621 12.8456 12.8465 12.8465 12.8692 13.8862 13.8862 14.1290 14.1303 14.1303 14.1519 14.6570 14.6601 14.6762 14.6762 15.5644 15.5644 16.0011 16.0011 k = 0.3333 0.5774 0.8002 ( 3990 PWs) bands (ev): 0.8438 0.8438 1.3241 1.3242 1.3242 1.3243 5.2146 5.2146 6.5171 6.5171 6.5329 6.5377 8.0236 8.0236 8.1699 8.1765 8.2292 8.2292 8.6126 8.6126 8.6573 8.6652 9.2856 9.2856 10.1960 10.1960 10.3948 10.3948 10.4007 10.4085 10.4265 10.4265 10.5333 10.5396 10.5396 10.5594 10.5741 10.5741 10.8540 10.8767 10.9918 10.9918 11.1457 11.1457 11.2628 11.2984 11.3296 11.3296 11.5430 11.5501 11.5501 11.5678 11.9692 11.9692 12.3331 12.3331 12.4321 12.4383 12.4383 12.4494 12.6414 12.6414 12.6602 12.6741 12.6741 12.6955 12.7579 12.7579 12.8372 12.8372 12.8408 12.8611 13.8894 13.8894 14.1582 14.1582 14.1625 14.1822 14.6204 14.6243 14.6441 14.6441 15.5299 15.5299 16.0260 16.0260 k = 0.3333 0.5774 0.8193 ( 3978 PWs) bands (ev): 0.8571 0.8571 1.3353 1.3354 1.3354 1.3355 5.1934 5.1934 6.5011 6.5011 6.5173 6.5210 8.0339 8.0339 8.1845 8.1898 8.2474 8.2474 8.5975 8.5975 8.6475 8.6538 9.2854 9.2854 10.2001 10.2001 10.3991 10.3991 10.4099 10.4147 10.4220 10.4220 10.5296 10.5395 10.5395 10.5506 10.5670 10.5670 10.8568 10.8740 10.9941 10.9941 11.1446 11.1446 11.2712 11.2997 11.3265 11.3265 11.5282 11.5344 11.5344 11.5489 11.9686 11.9686 12.3358 12.3358 12.4363 12.4411 12.4411 12.4493 12.6445 12.6445 12.6674 12.6772 12.6772 12.6949 12.7549 12.7549 12.8297 12.8297 12.8379 12.8541 13.8921 13.8921 14.1832 14.1832 14.1937 14.2098 14.5876 14.5919 14.6159 14.6159 15.5030 15.5030 16.0457 16.0457 k = 0.3333 0.5774 0.8383 ( 3966 PWs) bands (ev): 0.8667 0.8667 1.3434 1.3435 1.3435 1.3435 5.1782 5.1782 6.4895 6.4895 6.5062 6.5086 8.0414 8.0414 8.1961 8.1997 8.2619 8.2619 8.5854 8.5854 8.6403 8.6447 9.2853 9.2853 10.2033 10.2033 10.4025 10.4025 10.4174 10.4187 10.4187 10.4199 10.5273 10.5404 10.5404 10.5422 10.5607 10.5607 10.8597 10.8712 10.9959 10.9959 11.1439 11.1439 11.2794 11.2996 11.3245 11.3245 11.5182 11.5226 11.5226 11.5333 11.9682 11.9682 12.3378 12.3378 12.4400 12.4432 12.4432 12.4486 12.6467 12.6467 12.6742 12.6798 12.6798 12.6931 12.7528 12.7528 12.8240 12.8240 12.8367 12.8481 13.8941 13.8941 14.2035 14.2035 14.2205 14.2322 14.5608 14.5646 14.5933 14.5933 15.4837 15.4837 16.0600 16.0600 k = 0.3333 0.5774 0.8574 ( 3972 PWs) bands (ev): 0.8726 0.8726 1.3483 1.3484 1.3484 1.3484 5.1690 5.1690 6.4825 6.4825 6.4996 6.5008 8.0460 8.0460 8.2037 8.2056 8.2714 8.2714 8.5775 8.5775 8.6362 8.6385 9.2852 9.2852 10.2052 10.2052 10.4046 10.4046 10.4165 10.4165 10.4223 10.4233 10.5272 10.5350 10.5418 10.5418 10.5557 10.5557 10.8626 10.8683 10.9969 10.9969 11.1435 11.1435 11.2870 11.2975 11.3234 11.3234 11.5136 11.5151 11.5151 11.5216 11.9679 11.9679 12.3389 12.3389 12.4429 12.4443 12.4443 12.4473 12.6480 12.6480 12.6803 12.6814 12.6814 12.6900 12.7516 12.7516 12.8204 12.8204 12.8372 12.8430 13.8953 13.8953 14.2169 14.2169 14.2402 14.2465 14.5430 14.5454 14.5784 14.5784 15.4721 15.4721 16.0687 16.0687 k = 0.3333 0.5774 0.8764 ( 3972 PWs) bands (ev): 0.8745 0.8745 1.3500 1.3500 1.3500 1.3500 5.1659 5.1659 6.4801 6.4801 6.4978 6.4978 8.0475 8.0475 8.2070 8.2070 8.2746 8.2746 8.5747 8.5747 8.6356 8.6356 9.2852 9.2852 10.2059 10.2059 10.4054 10.4054 10.4157 10.4157 10.4242 10.4242 10.5298 10.5298 10.5428 10.5428 10.5536 10.5536 10.8655 10.8655 10.9973 10.9973 11.1433 11.1433 11.2932 11.2932 11.3231 11.3231 11.5126 11.5126 11.5149 11.5149 11.9678 11.9678 12.3393 12.3393 12.4447 12.4447 12.4454 12.4454 12.6485 12.6485 12.6820 12.6820 12.6857 12.6857 12.7512 12.7512 12.8192 12.8192 12.8393 12.8393 13.8957 13.8957 14.2216 14.2216 14.2495 14.2495 14.5375 14.5375 14.5732 14.5732 15.4683 15.4683 16.0716 16.0716 Writing output data file CoNiAs.save init_run : 3.27s CPU 13.73s WALL ( 1 calls) electrons : 1777.48s CPU 1789.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.53s CPU 1.34s WALL ( 1 calls) Called by electrons: c_bands : 1777.39s CPU 1788.85s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.60s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.05s CPU 0.45s WALL ( 1 calls) newd : 0.56s CPU 0.83s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.13s WALL ( 313 calls) cegterg : 1690.52s CPU 1698.83s WALL ( 855 calls) Called by sum_band: Called by *egterg: h_psi : 577.80s CPU 588.53s WALL ( 14831 calls) s_psi : 96.87s CPU 97.17s WALL ( 14831 calls) g_psi : 1.19s CPU 1.17s WALL ( 13663 calls) cdiaghg : 796.00s CPU 794.03s WALL ( 13976 calls) cegterg:over : 141.82s CPU 138.63s WALL ( 13663 calls) cegterg:upda : 34.81s CPU 37.72s WALL ( 13663 calls) cegterg:last : 27.62s CPU 28.20s WALL ( 2107 calls) Called by h_psi: h_psi:vloc : 396.45s CPU 404.63s WALL ( 14831 calls) h_psi:vnl : 180.78s CPU 182.61s WALL ( 14831 calls) add_vuspsi : 71.59s CPU 75.56s WALL ( 14831 calls) General routines calbec : 109.12s CPU 106.88s WALL ( 14831 calls) fft : 0.52s CPU 1.77s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 380.35s CPU 386.65s WALL ( 2169372 calls) interpolate : 0.27s CPU 0.30s WALL ( 4 calls) davcio : 0.03s CPU 1.82s WALL ( 626 calls) Parallel routines fft_scatter : 233.95s CPU 240.91s WALL ( 2169395 calls) PWSCF : 30m52.26s CPU 33m13.29s WALL This run was terminated on: 15:44:37 14Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=