Program PWSCF v.5.1.1 starts on 20Jun2015 at 17:10:29 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: ./GaAs.save/ file Ga.rel-pbe-dnl-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 19 13 4 749 464 74 Max 20 14 5 752 480 81 Sum 913 661 199 35975 22635 3717 bravais-lattice index = 14 lattice parameter (alat) = 7.3926 a.u. unit-cell volume = 573.0329 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.392608 celldm(2)= 1.000000 celldm(3)= 1.637781 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 1.637781 ) 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 0.610582 ) 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 Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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) Ga 13.00 69.72300 Ga( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8188906 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8188906 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8188906 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8188906 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] 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. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8188906 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8188906 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 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 [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 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 C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0029412 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0029412 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0029412 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0029412 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0029412 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0029412 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0029412 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0029412 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0029412 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0029412 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0029412 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0029412 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0029412 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0029412 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0029412 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0029412 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0029412 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0029412 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0029412 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0029412 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0029412 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0029412 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0029412 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0029412 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0029412 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0029412 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0029412 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0029412 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0029412 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0029412 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0029412 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0029412 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0029412 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0029412 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0029412 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 50) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0029412 k( 51) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0029412 k( 52) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0029412 k( 53) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0029412 k( 54) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0029412 k( 55) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0029412 k( 56) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0029412 k( 57) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0029412 k( 58) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0029412 k( 59) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0029412 k( 60) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0029412 k( 61) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0029412 k( 62) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0029412 k( 63) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0029412 k( 64) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0029412 k( 65) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0029412 k( 66) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0029412 k( 67) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0029412 k( 68) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0029412 k( 69) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0029412 k( 70) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0029412 k( 71) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0029412 k( 72) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0029412 k( 73) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0029412 k( 74) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0029412 k( 75) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0029412 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 78) = ( 0.3271605 0.5666586 -0.0000000), wk = 0.0029412 k( 79) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0029412 k( 80) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0029412 k( 81) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0029412 k( 82) = ( 0.3024691 0.5238919 -0.0000000), wk = 0.0029412 k( 83) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0029412 k( 84) = ( 0.2901235 0.5025086 -0.0000000), wk = 0.0029412 k( 85) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0029412 k( 86) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0029412 k( 87) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0029412 k( 88) = ( 0.2654321 0.4597419 -0.0000000), wk = 0.0029412 k( 89) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0029412 k( 90) = ( 0.2530864 0.4383585 -0.0000000), wk = 0.0029412 k( 91) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0029412 k( 92) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0029412 k( 93) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0029412 k( 94) = ( 0.2283951 0.3955918 -0.0000000), wk = 0.0029412 k( 95) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029412 k( 96) = ( 0.2160494 0.3742085 -0.0000000), wk = 0.0029412 k( 97) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0029412 k( 98) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0029412 k( 99) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0029412 k( 100) = ( 0.1913580 0.3314418 -0.0000000), wk = 0.0029412 k( 101) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0029412 k( 102) = ( 0.1790123 0.3100585 -0.0000000), wk = 0.0029412 k( 103) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0029412 k( 104) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0029412 k( 105) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0029412 k( 106) = ( 0.1543210 0.2672918 -0.0000000), wk = 0.0029412 k( 107) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0029412 k( 108) = ( 0.1419753 0.2459085 -0.0000000), wk = 0.0029412 k( 109) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0029412 k( 110) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0029412 k( 111) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0029412 k( 112) = ( 0.1172839 0.2031418 -0.0000000), wk = 0.0029412 k( 113) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029412 k( 114) = ( 0.1049383 0.1817584 -0.0000000), wk = 0.0029412 k( 115) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0029412 k( 116) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0029412 k( 117) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0029412 k( 118) = ( 0.0802469 0.1389917 -0.0000000), wk = 0.0029412 k( 119) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0029412 k( 120) = ( 0.0679012 0.1176084 -0.0000000), wk = 0.0029412 k( 121) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0029412 k( 122) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0029412 k( 123) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0029412 k( 124) = ( 0.0432099 0.0748417 -0.0000000), wk = 0.0029412 k( 125) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0029412 k( 126) = ( 0.0308642 0.0534584 -0.0000000), wk = 0.0029412 k( 127) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0029412 k( 128) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0029412 k( 129) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0029412 k( 130) = ( 0.0061728 0.0106917 -0.0000000), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.0122116), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.0244233), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.0366349), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.0488466), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.0610582), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.0732699), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.0854815), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.0976931), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.1099048), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.1221164), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.1343281), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.1465397), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.1587514), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.1709630), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.1831747), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.1953863), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.2075979), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.2198096), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.2320212), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.2442329), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.2564445), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.2686562), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.2808678), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.2930794), wk = 0.0029412 k( 157) = ( 0.0000000 0.0000000 0.3052911), wk = 0.0029412 k( 158) = ( 0.0000000 0.0000000 0.3052911), wk = 0.0029412 k( 159) = ( 0.0106383 0.0061420 0.3052911), wk = 0.0029412 k( 160) = ( 0.0212766 0.0122841 0.3052911), wk = 0.0029412 k( 161) = ( 0.0319149 0.0184261 0.3052911), wk = 0.0029412 k( 162) = ( 0.0425532 0.0245681 0.3052911), wk = 0.0029412 k( 163) = ( 0.0531915 0.0307101 0.3052911), wk = 0.0029412 k( 164) = ( 0.0638298 0.0368521 0.3052911), wk = 0.0029412 k( 165) = ( 0.0744681 0.0429942 0.3052911), wk = 0.0029412 k( 166) = ( 0.0851064 0.0491362 0.3052911), wk = 0.0029412 k( 167) = ( 0.0957447 0.0552782 0.3052911), wk = 0.0029412 k( 168) = ( 0.1063830 0.0614202 0.3052911), wk = 0.0029412 k( 169) = ( 0.1170213 0.0675623 0.3052911), wk = 0.0029412 k( 170) = ( 0.1276596 0.0737043 0.3052911), wk = 0.0029412 k( 171) = ( 0.1382979 0.0798463 0.3052911), wk = 0.0029412 k( 172) = ( 0.1489362 0.0859883 0.3052911), wk = 0.0029412 k( 173) = ( 0.1595745 0.0921304 0.3052911), wk = 0.0029412 k( 174) = ( 0.1702128 0.0982724 0.3052911), wk = 0.0029412 k( 175) = ( 0.1808511 0.1044144 0.3052911), wk = 0.0029412 k( 176) = ( 0.1914894 0.1105564 0.3052911), wk = 0.0029412 k( 177) = ( 0.2021277 0.1166985 0.3052911), wk = 0.0029412 k( 178) = ( 0.2127660 0.1228405 0.3052911), wk = 0.0029412 k( 179) = ( 0.2234043 0.1289825 0.3052911), wk = 0.0029412 k( 180) = ( 0.2340425 0.1351245 0.3052911), wk = 0.0029412 k( 181) = ( 0.2446809 0.1412666 0.3052911), wk = 0.0029412 k( 182) = ( 0.2553191 0.1474086 0.3052911), wk = 0.0029412 k( 183) = ( 0.2659574 0.1535506 0.3052911), wk = 0.0029412 k( 184) = ( 0.2765957 0.1596926 0.3052911), wk = 0.0029412 k( 185) = ( 0.2872340 0.1658347 0.3052911), wk = 0.0029412 k( 186) = ( 0.2978723 0.1719767 0.3052911), wk = 0.0029412 k( 187) = ( 0.3085106 0.1781187 0.3052911), wk = 0.0029412 k( 188) = ( 0.3191489 0.1842607 0.3052911), wk = 0.0029412 k( 189) = ( 0.3297872 0.1904027 0.3052911), wk = 0.0029412 k( 190) = ( 0.3404255 0.1965448 0.3052911), wk = 0.0029412 k( 191) = ( 0.3510638 0.2026868 0.3052911), wk = 0.0029412 k( 192) = ( 0.3617021 0.2088288 0.3052911), wk = 0.0029412 k( 193) = ( 0.3723404 0.2149708 0.3052911), wk = 0.0029412 k( 194) = ( 0.3829787 0.2211129 0.3052911), wk = 0.0029412 k( 195) = ( 0.3936170 0.2272549 0.3052911), wk = 0.0029412 k( 196) = ( 0.4042553 0.2333969 0.3052911), wk = 0.0029412 k( 197) = ( 0.4148936 0.2395389 0.3052911), wk = 0.0029412 k( 198) = ( 0.4255319 0.2456810 0.3052911), wk = 0.0029412 k( 199) = ( 0.4361702 0.2518230 0.3052911), wk = 0.0029412 k( 200) = ( 0.4468085 0.2579650 0.3052911), wk = 0.0029412 k( 201) = ( 0.4574468 0.2641070 0.3052911), wk = 0.0029412 k( 202) = ( 0.4680851 0.2702491 0.3052911), wk = 0.0029412 k( 203) = ( 0.4787234 0.2763911 0.3052911), wk = 0.0029412 k( 204) = ( 0.4893617 0.2825331 0.3052911), wk = 0.0029412 k( 205) = ( 0.5000000 0.2886751 0.3052911), wk = 0.0029412 k( 206) = ( 0.5000000 0.2886751 0.3052911), wk = 0.0029412 k( 207) = ( 0.4938272 0.2993668 0.3052911), wk = 0.0029412 k( 208) = ( 0.4876543 0.3100585 0.3052911), wk = 0.0029412 k( 209) = ( 0.4814815 0.3207502 0.3052911), wk = 0.0029412 k( 210) = ( 0.4753086 0.3314418 0.3052911), wk = 0.0029412 k( 211) = ( 0.4691358 0.3421335 0.3052911), wk = 0.0029412 k( 212) = ( 0.4629630 0.3528252 0.3052911), wk = 0.0029412 k( 213) = ( 0.4567901 0.3635168 0.3052911), wk = 0.0029412 k( 214) = ( 0.4506173 0.3742085 0.3052911), wk = 0.0029412 k( 215) = ( 0.4444444 0.3849002 0.3052911), wk = 0.0029412 k( 216) = ( 0.4382716 0.3955918 0.3052911), wk = 0.0029412 k( 217) = ( 0.4320988 0.4062835 0.3052911), wk = 0.0029412 k( 218) = ( 0.4259259 0.4169752 0.3052911), wk = 0.0029412 k( 219) = ( 0.4197531 0.4276669 0.3052911), wk = 0.0029412 k( 220) = ( 0.4135802 0.4383585 0.3052911), wk = 0.0029412 k( 221) = ( 0.4074074 0.4490502 0.3052911), wk = 0.0029412 k( 222) = ( 0.4012346 0.4597419 0.3052911), wk = 0.0029412 k( 223) = ( 0.3950617 0.4704335 0.3052911), wk = 0.0029412 k( 224) = ( 0.3888889 0.4811252 0.3052911), wk = 0.0029412 k( 225) = ( 0.3827160 0.4918169 0.3052911), wk = 0.0029412 k( 226) = ( 0.3765432 0.5025086 0.3052911), wk = 0.0029412 k( 227) = ( 0.3703704 0.5132002 0.3052911), wk = 0.0029412 k( 228) = ( 0.3641975 0.5238919 0.3052911), wk = 0.0029412 k( 229) = ( 0.3580247 0.5345836 0.3052911), wk = 0.0029412 k( 230) = ( 0.3518519 0.5452753 0.3052911), wk = 0.0029412 k( 231) = ( 0.3456790 0.5559669 0.3052911), wk = 0.0029412 k( 232) = ( 0.3395062 0.5666586 0.3052911), wk = 0.0029412 k( 233) = ( 0.3333333 0.5773503 0.3052911), wk = 0.0029412 k( 234) = ( 0.3333333 0.5773503 0.3052911), wk = 0.0029412 k( 235) = ( 0.3271605 0.5666586 0.3052911), wk = 0.0029412 k( 236) = ( 0.3209877 0.5559669 0.3052911), wk = 0.0029412 k( 237) = ( 0.3148148 0.5452752 0.3052911), wk = 0.0029412 k( 238) = ( 0.3086420 0.5345836 0.3052911), wk = 0.0029412 k( 239) = ( 0.3024691 0.5238919 0.3052911), wk = 0.0029412 k( 240) = ( 0.2962963 0.5132002 0.3052911), wk = 0.0029412 k( 241) = ( 0.2901235 0.5025086 0.3052911), wk = 0.0029412 k( 242) = ( 0.2839506 0.4918169 0.3052911), wk = 0.0029412 k( 243) = ( 0.2777778 0.4811252 0.3052911), wk = 0.0029412 k( 244) = ( 0.2716049 0.4704336 0.3052911), wk = 0.0029412 k( 245) = ( 0.2654321 0.4597419 0.3052911), wk = 0.0029412 k( 246) = ( 0.2592593 0.4490502 0.3052911), wk = 0.0029412 k( 247) = ( 0.2530864 0.4383585 0.3052911), wk = 0.0029412 k( 248) = ( 0.2469136 0.4276669 0.3052911), wk = 0.0029412 k( 249) = ( 0.2407407 0.4169752 0.3052911), wk = 0.0029412 k( 250) = ( 0.2345679 0.4062835 0.3052911), wk = 0.0029412 k( 251) = ( 0.2283951 0.3955918 0.3052911), wk = 0.0029412 k( 252) = ( 0.2222222 0.3849002 0.3052911), wk = 0.0029412 k( 253) = ( 0.2160494 0.3742085 0.3052911), wk = 0.0029412 k( 254) = ( 0.2098765 0.3635168 0.3052911), wk = 0.0029412 k( 255) = ( 0.2037037 0.3528252 0.3052911), wk = 0.0029412 k( 256) = ( 0.1975309 0.3421335 0.3052911), wk = 0.0029412 k( 257) = ( 0.1913580 0.3314418 0.3052911), wk = 0.0029412 k( 258) = ( 0.1851852 0.3207502 0.3052911), wk = 0.0029412 k( 259) = ( 0.1790123 0.3100585 0.3052911), wk = 0.0029412 k( 260) = ( 0.1728395 0.2993668 0.3052911), wk = 0.0029412 k( 261) = ( 0.1666667 0.2886751 0.3052911), wk = 0.0029412 k( 262) = ( 0.1604938 0.2779835 0.3052911), wk = 0.0029412 k( 263) = ( 0.1543210 0.2672918 0.3052911), wk = 0.0029412 k( 264) = ( 0.1481482 0.2566001 0.3052911), wk = 0.0029412 k( 265) = ( 0.1419753 0.2459085 0.3052911), wk = 0.0029412 k( 266) = ( 0.1358025 0.2352168 0.3052911), wk = 0.0029412 k( 267) = ( 0.1296296 0.2245251 0.3052911), wk = 0.0029412 k( 268) = ( 0.1234568 0.2138334 0.3052911), wk = 0.0029412 k( 269) = ( 0.1172839 0.2031418 0.3052911), wk = 0.0029412 k( 270) = ( 0.1111111 0.1924501 0.3052911), wk = 0.0029412 k( 271) = ( 0.1049383 0.1817584 0.3052911), wk = 0.0029412 k( 272) = ( 0.0987654 0.1710667 0.3052911), wk = 0.0029412 k( 273) = ( 0.0925926 0.1603751 0.3052911), wk = 0.0029412 k( 274) = ( 0.0864198 0.1496834 0.3052911), wk = 0.0029412 k( 275) = ( 0.0802469 0.1389917 0.3052911), wk = 0.0029412 k( 276) = ( 0.0740741 0.1283001 0.3052911), wk = 0.0029412 k( 277) = ( 0.0679012 0.1176084 0.3052911), wk = 0.0029412 k( 278) = ( 0.0617284 0.1069167 0.3052911), wk = 0.0029412 k( 279) = ( 0.0555556 0.0962251 0.3052911), wk = 0.0029412 k( 280) = ( 0.0493827 0.0855334 0.3052911), wk = 0.0029412 k( 281) = ( 0.0432099 0.0748417 0.3052911), wk = 0.0029412 k( 282) = ( 0.0370370 0.0641500 0.3052911), wk = 0.0029412 k( 283) = ( 0.0308642 0.0534584 0.3052911), wk = 0.0029412 k( 284) = ( 0.0246914 0.0427667 0.3052911), wk = 0.0029412 k( 285) = ( 0.0185185 0.0320750 0.3052911), wk = 0.0029412 k( 286) = ( 0.0123457 0.0213833 0.3052911), wk = 0.0029412 k( 287) = ( 0.0061728 0.0106917 0.3052911), wk = 0.0029412 k( 288) = ( 0.0000000 0.0000000 0.3052911), wk = 0.0029412 k( 289) = ( 0.5000000 0.2886751 0.3052911), wk = 0.0029412 k( 290) = ( 0.5000000 0.2886751 0.2930794), wk = 0.0029412 k( 291) = ( 0.5000000 0.2886751 0.2808678), wk = 0.0029412 k( 292) = ( 0.5000000 0.2886751 0.2686562), wk = 0.0029412 k( 293) = ( 0.5000000 0.2886751 0.2564445), wk = 0.0029412 k( 294) = ( 0.5000000 0.2886751 0.2442329), wk = 0.0029412 k( 295) = ( 0.5000000 0.2886751 0.2320212), wk = 0.0029412 k( 296) = ( 0.5000000 0.2886751 0.2198096), wk = 0.0029412 k( 297) = ( 0.5000000 0.2886751 0.2075979), wk = 0.0029412 k( 298) = ( 0.5000000 0.2886751 0.1953863), wk = 0.0029412 k( 299) = ( 0.5000000 0.2886751 0.1831747), wk = 0.0029412 k( 300) = ( 0.5000000 0.2886751 0.1709630), wk = 0.0029412 k( 301) = ( 0.5000000 0.2886751 0.1587514), wk = 0.0029412 k( 302) = ( 0.5000000 0.2886751 0.1465397), wk = 0.0029412 k( 303) = ( 0.5000000 0.2886751 0.1343281), wk = 0.0029412 k( 304) = ( 0.5000000 0.2886751 0.1221164), wk = 0.0029412 k( 305) = ( 0.5000000 0.2886751 0.1099048), wk = 0.0029412 k( 306) = ( 0.5000000 0.2886751 0.0976931), wk = 0.0029412 k( 307) = ( 0.5000000 0.2886751 0.0854815), wk = 0.0029412 k( 308) = ( 0.5000000 0.2886751 0.0732699), wk = 0.0029412 k( 309) = ( 0.5000000 0.2886751 0.0610582), wk = 0.0029412 k( 310) = ( 0.5000000 0.2886751 0.0488466), wk = 0.0029412 k( 311) = ( 0.5000000 0.2886751 0.0366349), wk = 0.0029412 k( 312) = ( 0.5000000 0.2886751 0.0244233), wk = 0.0029412 k( 313) = ( 0.5000000 0.2886751 0.0122116), wk = 0.0029412 k( 314) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 315) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 316) = ( 0.3333333 0.5773503 0.0122116), wk = 0.0029412 k( 317) = ( 0.3333333 0.5773503 0.0244233), wk = 0.0029412 k( 318) = ( 0.3333333 0.5773503 0.0366349), wk = 0.0029412 k( 319) = ( 0.3333333 0.5773503 0.0488466), wk = 0.0029412 k( 320) = ( 0.3333333 0.5773503 0.0610582), wk = 0.0029412 k( 321) = ( 0.3333333 0.5773503 0.0732699), wk = 0.0029412 k( 322) = ( 0.3333333 0.5773503 0.0854815), wk = 0.0029412 k( 323) = ( 0.3333333 0.5773503 0.0976931), wk = 0.0029412 k( 324) = ( 0.3333333 0.5773503 0.1099048), wk = 0.0029412 k( 325) = ( 0.3333333 0.5773503 0.1221164), wk = 0.0029412 k( 326) = ( 0.3333333 0.5773503 0.1343281), wk = 0.0029412 k( 327) = ( 0.3333333 0.5773503 0.1465397), wk = 0.0029412 k( 328) = ( 0.3333333 0.5773503 0.1587514), wk = 0.0029412 k( 329) = ( 0.3333333 0.5773503 0.1709630), wk = 0.0029412 k( 330) = ( 0.3333333 0.5773503 0.1831747), wk = 0.0029412 k( 331) = ( 0.3333333 0.5773503 0.1953863), wk = 0.0029412 k( 332) = ( 0.3333333 0.5773503 0.2075979), wk = 0.0029412 k( 333) = ( 0.3333333 0.5773503 0.2198096), wk = 0.0029412 k( 334) = ( 0.3333333 0.5773503 0.2320212), wk = 0.0029412 k( 335) = ( 0.3333333 0.5773503 0.2442329), wk = 0.0029412 k( 336) = ( 0.3333333 0.5773503 0.2564445), wk = 0.0029412 k( 337) = ( 0.3333333 0.5773503 0.2686562), wk = 0.0029412 k( 338) = ( 0.3333333 0.5773503 0.2808678), wk = 0.0029412 k( 339) = ( 0.3333333 0.5773503 0.2930794), wk = 0.0029412 k( 340) = ( 0.3333333 0.5773503 0.3052911), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0106383 0.0000000 0.0000000), wk = 0.0029412 k( 3) = ( 0.0212766 0.0000000 0.0000000), wk = 0.0029412 k( 4) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0029412 k( 5) = ( 0.0425532 0.0000000 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0531915 0.0000000 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0638298 0.0000000 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0744681 0.0000000 0.0000000), wk = 0.0029412 k( 9) = ( 0.0851064 0.0000000 -0.0000000), wk = 0.0029412 k( 10) = ( 0.0957447 0.0000000 -0.0000000), wk = 0.0029412 k( 11) = ( 0.1063830 0.0000000 -0.0000000), wk = 0.0029412 k( 12) = ( 0.1170213 0.0000000 0.0000000), wk = 0.0029412 k( 13) = ( 0.1276596 0.0000000 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1382979 0.0000000 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1489362 0.0000000 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0029412 k( 17) = ( 0.1702128 0.0000000 -0.0000000), wk = 0.0029412 k( 18) = ( 0.1808511 0.0000000 0.0000000), wk = 0.0029412 k( 19) = ( 0.1914894 0.0000000 -0.0000000), wk = 0.0029412 k( 20) = ( 0.2021277 0.0000000 -0.0000000), wk = 0.0029412 k( 21) = ( 0.2127660 0.0000000 -0.0000000), wk = 0.0029412 k( 22) = ( 0.2234043 0.0000000 -0.0000000), wk = 0.0029412 k( 23) = ( 0.2340425 0.0000000 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2446809 0.0000000 -0.0000000), wk = 0.0029412 k( 25) = ( 0.2553191 0.0000000 -0.0000000), wk = 0.0029412 k( 26) = ( 0.2659574 0.0000000 0.0000000), wk = 0.0029412 k( 27) = ( 0.2765957 0.0000000 -0.0000000), wk = 0.0029412 k( 28) = ( 0.2872340 0.0000000 -0.0000000), wk = 0.0029412 k( 29) = ( 0.2978723 0.0000000 -0.0000000), wk = 0.0029412 k( 30) = ( 0.3085106 0.0000000 -0.0000000), wk = 0.0029412 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0029412 k( 32) = ( 0.3297872 0.0000000 -0.0000000), wk = 0.0029412 k( 33) = ( 0.3404255 0.0000000 0.0000000), wk = 0.0029412 k( 34) = ( 0.3510638 0.0000000 -0.0000000), wk = 0.0029412 k( 35) = ( 0.3617021 0.0000000 -0.0000000), wk = 0.0029412 k( 36) = ( 0.3723404 0.0000000 -0.0000000), wk = 0.0029412 k( 37) = ( 0.3829787 0.0000000 -0.0000000), wk = 0.0029412 k( 38) = ( 0.3936170 0.0000000 -0.0000000), wk = 0.0029412 k( 39) = ( 0.4042553 0.0000000 -0.0000000), wk = 0.0029412 k( 40) = ( 0.4148936 0.0000000 -0.0000000), wk = 0.0029412 k( 41) = ( 0.4255319 0.0000000 0.0000000), wk = 0.0029412 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0029412 k( 43) = ( 0.4468085 0.0000000 -0.0000000), wk = 0.0029412 k( 44) = ( 0.4574468 0.0000000 -0.0000000), wk = 0.0029412 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0029412 k( 46) = ( 0.4787234 0.0000000 -0.0000000), wk = 0.0029412 k( 47) = ( 0.4893617 0.0000000 -0.0000000), wk = 0.0029412 k( 48) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029412 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029412 k( 50) = ( 0.4938272 0.0123457 0.0000000), wk = 0.0029412 k( 51) = ( 0.4876543 0.0246914 -0.0000000), wk = 0.0029412 k( 52) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0029412 k( 53) = ( 0.4753086 0.0493827 -0.0000000), wk = 0.0029412 k( 54) = ( 0.4691358 0.0617284 0.0000000), wk = 0.0029412 k( 55) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0029412 k( 56) = ( 0.4567901 0.0864198 -0.0000000), wk = 0.0029412 k( 57) = ( 0.4506173 0.0987654 0.0000000), wk = 0.0029412 k( 58) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0029412 k( 59) = ( 0.4382716 0.1234568 0.0000000), wk = 0.0029412 k( 60) = ( 0.4320988 0.1358025 0.0000000), wk = 0.0029412 k( 61) = ( 0.4259259 0.1481482 -0.0000000), wk = 0.0029412 k( 62) = ( 0.4197531 0.1604938 0.0000000), wk = 0.0029412 k( 63) = ( 0.4135802 0.1728395 -0.0000000), wk = 0.0029412 k( 64) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0029412 k( 65) = ( 0.4012346 0.1975309 0.0000000), wk = 0.0029412 k( 66) = ( 0.3950617 0.2098765 0.0000000), wk = 0.0029412 k( 67) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0029412 k( 68) = ( 0.3827160 0.2345679 0.0000000), wk = 0.0029412 k( 69) = ( 0.3765432 0.2469136 -0.0000000), wk = 0.0029412 k( 70) = ( 0.3703704 0.2592593 0.0000000), wk = 0.0029412 k( 71) = ( 0.3641975 0.2716049 0.0000000), wk = 0.0029412 k( 72) = ( 0.3580247 0.2839506 0.0000000), wk = 0.0029412 k( 73) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0029412 k( 74) = ( 0.3456790 0.3086420 0.0000000), wk = 0.0029412 k( 75) = ( 0.3395062 0.3209877 0.0000000), wk = 0.0029412 k( 76) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029412 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029412 k( 78) = ( 0.3271605 0.3271605 0.0000000), wk = 0.0029412 k( 79) = ( 0.3209877 0.3209877 0.0000000), wk = 0.0029412 k( 80) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0029412 k( 81) = ( 0.3086420 0.3086420 0.0000000), wk = 0.0029412 k( 82) = ( 0.3024691 0.3024691 -0.0000000), wk = 0.0029412 k( 83) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0029412 k( 84) = ( 0.2901235 0.2901235 0.0000000), wk = 0.0029412 k( 85) = ( 0.2839506 0.2839506 0.0000000), wk = 0.0029412 k( 86) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0029412 k( 87) = ( 0.2716049 0.2716049 0.0000000), wk = 0.0029412 k( 88) = ( 0.2654321 0.2654321 0.0000000), wk = 0.0029412 k( 89) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0029412 k( 90) = ( 0.2530864 0.2530864 0.0000000), wk = 0.0029412 k( 91) = ( 0.2469136 0.2469136 -0.0000000), wk = 0.0029412 k( 92) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0029412 k( 93) = ( 0.2345679 0.2345679 0.0000000), wk = 0.0029412 k( 94) = ( 0.2283951 0.2283951 -0.0000000), wk = 0.0029412 k( 95) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029412 k( 96) = ( 0.2160494 0.2160494 0.0000000), wk = 0.0029412 k( 97) = ( 0.2098765 0.2098765 -0.0000000), wk = 0.0029412 k( 98) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0029412 k( 99) = ( 0.1975309 0.1975309 0.0000000), wk = 0.0029412 k( 100) = ( 0.1913580 0.1913580 0.0000000), wk = 0.0029412 k( 101) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0029412 k( 102) = ( 0.1790123 0.1790124 0.0000000), wk = 0.0029412 k( 103) = ( 0.1728395 0.1728395 0.0000000), wk = 0.0029412 k( 104) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029412 k( 105) = ( 0.1604938 0.1604938 -0.0000000), wk = 0.0029412 k( 106) = ( 0.1543210 0.1543210 0.0000000), wk = 0.0029412 k( 107) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0029412 k( 108) = ( 0.1419753 0.1419753 0.0000000), wk = 0.0029412 k( 109) = ( 0.1358025 0.1358025 0.0000000), wk = 0.0029412 k( 110) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0029412 k( 111) = ( 0.1234568 0.1234568 -0.0000000), wk = 0.0029412 k( 112) = ( 0.1172839 0.1172840 0.0000000), wk = 0.0029412 k( 113) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029412 k( 114) = ( 0.1049383 0.1049383 -0.0000000), wk = 0.0029412 k( 115) = ( 0.0987654 0.0987654 0.0000000), wk = 0.0029412 k( 116) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0029412 k( 117) = ( 0.0864198 0.0864198 0.0000000), wk = 0.0029412 k( 118) = ( 0.0802469 0.0802469 -0.0000000), wk = 0.0029412 k( 119) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0029412 k( 120) = ( 0.0679012 0.0679012 0.0000000), wk = 0.0029412 k( 121) = ( 0.0617284 0.0617284 -0.0000000), wk = 0.0029412 k( 122) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0029412 k( 123) = ( 0.0493827 0.0493827 0.0000000), wk = 0.0029412 k( 124) = ( 0.0432099 0.0432099 0.0000000), wk = 0.0029412 k( 125) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0029412 k( 126) = ( 0.0308642 0.0308642 -0.0000000), wk = 0.0029412 k( 127) = ( 0.0246914 0.0246914 0.0000000), wk = 0.0029412 k( 128) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0029412 k( 129) = ( 0.0123457 0.0123457 0.0000000), wk = 0.0029412 k( 130) = ( 0.0061728 0.0061728 0.0000000), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0029412 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 159) = ( 0.0106383 0.0000000 0.5000000), wk = 0.0029412 k( 160) = ( 0.0212766 0.0000000 0.5000000), wk = 0.0029412 k( 161) = ( 0.0319149 0.0000000 0.5000000), wk = 0.0029412 k( 162) = ( 0.0425532 0.0000000 0.5000000), wk = 0.0029412 k( 163) = ( 0.0531915 0.0000000 0.5000000), wk = 0.0029412 k( 164) = ( 0.0638298 0.0000000 0.5000000), wk = 0.0029412 k( 165) = ( 0.0744681 0.0000000 0.5000000), wk = 0.0029412 k( 166) = ( 0.0851064 0.0000000 0.5000000), wk = 0.0029412 k( 167) = ( 0.0957447 0.0000000 0.5000000), wk = 0.0029412 k( 168) = ( 0.1063830 0.0000000 0.5000000), wk = 0.0029412 k( 169) = ( 0.1170213 0.0000000 0.5000000), wk = 0.0029412 k( 170) = ( 0.1276596 0.0000000 0.5000000), wk = 0.0029412 k( 171) = ( 0.1382979 0.0000000 0.5000000), wk = 0.0029412 k( 172) = ( 0.1489362 0.0000000 0.5000000), wk = 0.0029412 k( 173) = ( 0.1595745 0.0000000 0.5000000), wk = 0.0029412 k( 174) = ( 0.1702128 0.0000000 0.5000000), wk = 0.0029412 k( 175) = ( 0.1808511 0.0000000 0.5000000), wk = 0.0029412 k( 176) = ( 0.1914894 0.0000000 0.5000000), wk = 0.0029412 k( 177) = ( 0.2021277 0.0000000 0.5000000), wk = 0.0029412 k( 178) = ( 0.2127660 0.0000000 0.5000000), wk = 0.0029412 k( 179) = ( 0.2234043 0.0000000 0.5000000), wk = 0.0029412 k( 180) = ( 0.2340425 0.0000000 0.5000000), wk = 0.0029412 k( 181) = ( 0.2446809 0.0000000 0.5000000), wk = 0.0029412 k( 182) = ( 0.2553191 0.0000000 0.5000000), wk = 0.0029412 k( 183) = ( 0.2659574 0.0000000 0.5000000), wk = 0.0029412 k( 184) = ( 0.2765957 0.0000000 0.5000000), wk = 0.0029412 k( 185) = ( 0.2872340 0.0000000 0.5000000), wk = 0.0029412 k( 186) = ( 0.2978723 0.0000000 0.5000000), wk = 0.0029412 k( 187) = ( 0.3085106 0.0000000 0.5000000), wk = 0.0029412 k( 188) = ( 0.3191489 0.0000000 0.5000000), wk = 0.0029412 k( 189) = ( 0.3297872 0.0000000 0.5000000), wk = 0.0029412 k( 190) = ( 0.3404255 0.0000000 0.5000000), wk = 0.0029412 k( 191) = ( 0.3510638 0.0000000 0.5000000), wk = 0.0029412 k( 192) = ( 0.3617021 0.0000000 0.5000000), wk = 0.0029412 k( 193) = ( 0.3723404 0.0000000 0.5000000), wk = 0.0029412 k( 194) = ( 0.3829787 0.0000000 0.5000000), wk = 0.0029412 k( 195) = ( 0.3936170 0.0000000 0.5000000), wk = 0.0029412 k( 196) = ( 0.4042553 0.0000000 0.5000000), wk = 0.0029412 k( 197) = ( 0.4148936 0.0000000 0.5000000), wk = 0.0029412 k( 198) = ( 0.4255319 0.0000000 0.5000000), wk = 0.0029412 k( 199) = ( 0.4361702 0.0000000 0.5000000), wk = 0.0029412 k( 200) = ( 0.4468085 0.0000000 0.5000000), wk = 0.0029412 k( 201) = ( 0.4574468 0.0000000 0.5000000), wk = 0.0029412 k( 202) = ( 0.4680851 0.0000000 0.5000000), wk = 0.0029412 k( 203) = ( 0.4787234 0.0000000 0.5000000), wk = 0.0029412 k( 204) = ( 0.4893617 0.0000000 0.5000000), wk = 0.0029412 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 206) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 207) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0029412 k( 208) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0029412 k( 209) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0029412 k( 210) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0029412 k( 211) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0029412 k( 212) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0029412 k( 213) = ( 0.4567901 0.0864198 0.5000000), wk = 0.0029412 k( 214) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0029412 k( 215) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0029412 k( 216) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0029412 k( 217) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0029412 k( 218) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0029412 k( 219) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0029412 k( 220) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0029412 k( 221) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0029412 k( 222) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0029412 k( 223) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0029412 k( 224) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0029412 k( 225) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0029412 k( 226) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0029412 k( 227) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0029412 k( 228) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0029412 k( 229) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0029412 k( 230) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0029412 k( 231) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0029412 k( 232) = ( 0.3395062 0.3209877 0.5000000), wk = 0.0029412 k( 233) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 k( 234) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 k( 235) = ( 0.3271605 0.3271605 0.5000000), wk = 0.0029412 k( 236) = ( 0.3209877 0.3209877 0.5000000), wk = 0.0029412 k( 237) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0029412 k( 238) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0029412 k( 239) = ( 0.3024691 0.3024691 0.5000000), wk = 0.0029412 k( 240) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0029412 k( 241) = ( 0.2901235 0.2901235 0.5000000), wk = 0.0029412 k( 242) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0029412 k( 243) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0029412 k( 244) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0029412 k( 245) = ( 0.2654321 0.2654321 0.5000000), wk = 0.0029412 k( 246) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0029412 k( 247) = ( 0.2530864 0.2530864 0.5000000), wk = 0.0029412 k( 248) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0029412 k( 249) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0029412 k( 250) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0029412 k( 251) = ( 0.2283951 0.2283951 0.5000000), wk = 0.0029412 k( 252) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029412 k( 253) = ( 0.2160494 0.2160494 0.5000000), wk = 0.0029412 k( 254) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0029412 k( 255) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0029412 k( 256) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0029412 k( 257) = ( 0.1913580 0.1913580 0.5000000), wk = 0.0029412 k( 258) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0029412 k( 259) = ( 0.1790123 0.1790124 0.5000000), wk = 0.0029412 k( 260) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0029412 k( 261) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029412 k( 262) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0029412 k( 263) = ( 0.1543210 0.1543210 0.5000000), wk = 0.0029412 k( 264) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0029412 k( 265) = ( 0.1419753 0.1419753 0.5000000), wk = 0.0029412 k( 266) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0029412 k( 267) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0029412 k( 268) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0029412 k( 269) = ( 0.1172839 0.1172840 0.5000000), wk = 0.0029412 k( 270) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029412 k( 271) = ( 0.1049383 0.1049383 0.5000000), wk = 0.0029412 k( 272) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0029412 k( 273) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0029412 k( 274) = ( 0.0864198 0.0864198 0.5000000), wk = 0.0029412 k( 275) = ( 0.0802469 0.0802469 0.5000000), wk = 0.0029412 k( 276) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0029412 k( 277) = ( 0.0679012 0.0679012 0.5000000), wk = 0.0029412 k( 278) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0029412 k( 279) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0029412 k( 280) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0029412 k( 281) = ( 0.0432099 0.0432099 0.5000000), wk = 0.0029412 k( 282) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0029412 k( 283) = ( 0.0308642 0.0308642 0.5000000), wk = 0.0029412 k( 284) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0029412 k( 285) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0029412 k( 286) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0029412 k( 287) = ( 0.0061728 0.0061728 0.5000000), wk = 0.0029412 k( 288) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 289) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 290) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0029412 k( 291) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0029412 k( 292) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0029412 k( 293) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0029412 k( 294) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0029412 k( 295) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0029412 k( 296) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0029412 k( 297) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0029412 k( 298) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0029412 k( 299) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0029412 k( 300) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0029412 k( 301) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0029412 k( 302) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0029412 k( 303) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0029412 k( 304) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0029412 k( 305) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0029412 k( 306) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0029412 k( 307) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0029412 k( 308) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0029412 k( 309) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0029412 k( 310) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0029412 k( 311) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0029412 k( 312) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0029412 k( 313) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0029412 k( 314) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029412 k( 315) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029412 k( 316) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0029412 k( 317) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0029412 k( 318) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0029412 k( 319) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0029412 k( 320) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0029412 k( 321) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0029412 k( 322) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0029412 k( 323) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0029412 k( 324) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0029412 k( 325) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0029412 k( 326) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0029412 k( 327) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0029412 k( 328) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0029412 k( 329) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0029412 k( 330) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0029412 k( 331) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0029412 k( 332) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0029412 k( 333) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0029412 k( 334) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0029412 k( 335) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0029412 k( 336) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0029412 k( 337) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0029412 k( 338) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0029412 k( 339) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0029412 k( 340) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 Dense grid: 35975 G-vectors FFT dimensions: ( 40, 40, 60) Smooth grid: 22635 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 140, 44) NL pseudopotentials 0.10 Mb ( 70, 96) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 749) G-vector shells 0.00 Mb ( 330) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 140, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./GaAs.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.9 secs Computing kpt #: 2 total cpu time spent up to now is 45.3 secs Computing kpt #: 3 total cpu time spent up to now is 47.3 secs Computing kpt #: 4 total cpu time spent up to now is 48.4 secs Computing kpt #: 5 total cpu time spent up to now is 49.6 secs Computing kpt #: 6 total cpu time spent up to now is 50.9 secs Computing kpt #: 7 total cpu time spent up to now is 52.1 secs Computing kpt #: 8 total cpu time spent up to now is 53.6 secs Computing kpt #: 9 total cpu time spent up to now is 55.1 secs Computing kpt #: 10 total cpu time spent up to now is 56.7 secs Computing kpt #: 11 total cpu time spent up to now is 58.9 secs Computing kpt #: 12 total cpu time spent up to now is 60.3 secs Computing kpt #: 13 total cpu time spent up to now is 61.1 secs Computing kpt #: 14 total cpu time spent up to now is 62.0 secs Computing kpt #: 15 total cpu time spent up to now is 62.9 secs Computing kpt #: 16 total cpu time spent up to now is 63.7 secs Computing kpt #: 17 total cpu time spent up to now is 64.5 secs Computing kpt #: 18 total cpu time spent up to now is 65.4 secs Computing kpt #: 19 total cpu time spent up to now is 66.5 secs Computing kpt #: 20 total cpu time spent up to now is 67.8 secs Computing kpt #: 21 total cpu time spent up to now is 69.2 secs Computing kpt #: 22 total cpu time spent up to now is 71.0 secs Computing kpt #: 23 total cpu time spent up to now is 72.6 secs Computing kpt #: 24 total cpu time spent up to now is 74.4 secs Computing kpt #: 25 total cpu time spent up to now is 75.9 secs Computing kpt #: 26 total cpu time spent up to now is 77.0 secs Computing kpt #: 27 total cpu time spent up to now is 78.0 secs Computing kpt #: 28 total cpu time spent up to now is 79.0 secs Computing kpt #: 29 total cpu time spent up to now is 80.0 secs Computing kpt #: 30 total cpu time spent up to now is 81.3 secs Computing kpt #: 31 total cpu time spent up to now is 82.6 secs Computing kpt #: 32 total cpu time spent up to now is 84.3 secs Computing kpt #: 33 total cpu time spent up to now is 85.6 secs Computing kpt #: 34 total cpu time spent up to now is 87.5 secs Computing kpt #: 35 total cpu time spent up to now is 88.5 secs Computing kpt #: 36 total cpu time spent up to now is 90.1 secs Computing kpt #: 37 total cpu time spent up to now is 91.2 secs Computing kpt #: 38 total cpu time spent up to now is 92.1 secs Computing kpt #: 39 total cpu time spent up to now is 93.1 secs Computing kpt #: 40 total cpu time spent up to now is 94.0 secs Computing kpt #: 41 total cpu time spent up to now is 94.9 secs Computing kpt #: 42 total cpu time spent up to now is 95.8 secs Computing kpt #: 43 total cpu time spent up to now is 98.2 secs Computing kpt #: 44 total cpu time spent up to now is 101.3 secs Computing kpt #: 45 total cpu time spent up to now is 102.7 secs Computing kpt #: 46 total cpu time spent up to now is 105.0 secs Computing kpt #: 47 total cpu time spent up to now is 106.1 secs Computing kpt #: 48 total cpu time spent up to now is 107.3 secs Computing kpt #: 49 total cpu time spent up to now is 108.9 secs Computing kpt #: 50 total cpu time spent up to now is 110.9 secs Computing kpt #: 51 total cpu time spent up to now is 112.6 secs Computing kpt #: 52 total cpu time spent up to now is 114.3 secs Computing kpt #: 53 total cpu time spent up to now is 116.0 secs Computing kpt #: 54 total cpu time spent up to now is 118.3 secs Computing kpt #: 55 total cpu time spent up to now is 119.9 secs Computing kpt #: 56 total cpu time spent up to now is 120.7 secs Computing kpt #: 57 total cpu time spent up to now is 121.5 secs Computing kpt #: 58 total cpu time spent up to now is 122.3 secs Computing kpt #: 59 total cpu time spent up to now is 123.2 secs Computing kpt #: 60 total cpu time spent up to now is 124.1 secs Computing kpt #: 61 total cpu time spent up to now is 125.0 secs Computing kpt #: 62 total cpu time spent up to now is 126.2 secs Computing kpt #: 63 total cpu time spent up to now is 127.2 secs Computing kpt #: 64 total cpu time spent up to now is 128.3 secs Computing kpt #: 65 total cpu time spent up to now is 130.8 secs Computing kpt #: 66 total cpu time spent up to now is 131.9 secs Computing kpt #: 67 total cpu time spent up to now is 133.2 secs Computing kpt #: 68 total cpu time spent up to now is 135.0 secs Computing kpt #: 69 total cpu time spent up to now is 136.2 secs Computing kpt #: 70 total cpu time spent up to now is 137.8 secs Computing kpt #: 71 total cpu time spent up to now is 139.3 secs Computing kpt #: 72 total cpu time spent up to now is 140.5 secs Computing kpt #: 73 total cpu time spent up to now is 141.7 secs Computing kpt #: 74 total cpu time spent up to now is 142.7 secs Computing kpt #: 75 total cpu time spent up to now is 144.4 secs Computing kpt #: 76 total cpu time spent up to now is 145.8 secs Computing kpt #: 77 total cpu time spent up to now is 147.2 secs Computing kpt #: 78 total cpu time spent up to now is 149.4 secs Computing kpt #: 79 total cpu time spent up to now is 151.0 secs Computing kpt #: 80 total cpu time spent up to now is 153.2 secs Computing kpt #: 81 total cpu time spent up to now is 154.5 secs Computing kpt #: 82 total cpu time spent up to now is 156.5 secs Computing kpt #: 83 total cpu time spent up to now is 158.1 secs Computing kpt #: 84 total cpu time spent up to now is 159.1 secs Computing kpt #: 85 total cpu time spent up to now is 160.2 secs Computing kpt #: 86 total cpu time spent up to now is 161.8 secs Computing kpt #: 87 total cpu time spent up to now is 163.0 secs Computing kpt #: 88 total cpu time spent up to now is 164.2 secs Computing kpt #: 89 total cpu time spent up to now is 165.1 secs Computing kpt #: 90 total cpu time spent up to now is 166.0 secs Computing kpt #: 91 total cpu time spent up to now is 166.9 secs Computing kpt #: 92 total cpu time spent up to now is 168.8 secs Computing kpt #: 93 total cpu time spent up to now is 170.1 secs Computing kpt #: 94 total cpu time spent up to now is 172.0 secs Computing kpt #: 95 total cpu time spent up to now is 173.5 secs Computing kpt #: 96 total cpu time spent up to now is 176.3 secs Computing kpt #: 97 total cpu time spent up to now is 177.4 secs Computing kpt #: 98 total cpu time spent up to now is 178.3 secs Computing kpt #: 99 total cpu time spent up to now is 179.3 secs Computing kpt #: 100 total cpu time spent up to now is 180.1 secs Computing kpt #: 101 total cpu time spent up to now is 180.9 secs Computing kpt #: 102 total cpu time spent up to now is 181.7 secs Computing kpt #: 103 total cpu time spent up to now is 182.5 secs Computing kpt #: 104 total cpu time spent up to now is 183.4 secs Computing kpt #: 105 total cpu time spent up to now is 184.3 secs Computing kpt #: 106 total cpu time spent up to now is 185.9 secs Computing kpt #: 107 total cpu time spent up to now is 187.1 secs Computing kpt #: 108 total cpu time spent up to now is 189.3 secs Computing kpt #: 109 total cpu time spent up to now is 190.3 secs Computing kpt #: 110 total cpu time spent up to now is 191.2 secs Computing kpt #: 111 total cpu time spent up to now is 192.1 secs Computing kpt #: 112 total cpu time spent up to now is 193.0 secs Computing kpt #: 113 total cpu time spent up to now is 193.8 secs Computing kpt #: 114 total cpu time spent up to now is 194.7 secs Computing kpt #: 115 total cpu time spent up to now is 195.6 secs Computing kpt #: 116 total cpu time spent up to now is 196.4 secs Computing kpt #: 117 total cpu time spent up to now is 197.2 secs Computing kpt #: 118 total cpu time spent up to now is 198.0 secs Computing kpt #: 119 total cpu time spent up to now is 198.7 secs Computing kpt #: 120 total cpu time spent up to now is 199.5 secs Computing kpt #: 121 total cpu time spent up to now is 200.5 secs Computing kpt #: 122 total cpu time spent up to now is 201.5 secs Computing kpt #: 123 total cpu time spent up to now is 203.0 secs Computing kpt #: 124 total cpu time spent up to now is 203.9 secs Computing kpt #: 125 total cpu time spent up to now is 204.7 secs Computing kpt #: 126 total cpu time spent up to now is 205.6 secs Computing kpt #: 127 total cpu time spent up to now is 206.5 secs Computing kpt #: 128 total cpu time spent up to now is 207.8 secs Computing kpt #: 129 total cpu time spent up to now is 209.2 secs Computing kpt #: 130 total cpu time spent up to now is 210.1 secs Computing kpt #: 131 total cpu time spent up to now is 210.9 secs Computing kpt #: 132 total cpu time spent up to now is 211.6 secs Computing kpt #: 133 total cpu time spent up to now is 212.4 secs Computing kpt #: 134 total cpu time spent up to now is 213.1 secs Computing kpt #: 135 total cpu time spent up to now is 213.8 secs Computing kpt #: 136 total cpu time spent up to now is 214.6 secs Computing kpt #: 137 total cpu time spent up to now is 215.3 secs Computing kpt #: 138 total cpu time spent up to now is 216.1 secs Computing kpt #: 139 total cpu time spent up to now is 216.9 secs Computing kpt #: 140 total cpu time spent up to now is 217.6 secs Computing kpt #: 141 total cpu time spent up to now is 218.4 secs Computing kpt #: 142 total cpu time spent up to now is 219.3 secs Computing kpt #: 143 total cpu time spent up to now is 220.3 secs Computing kpt #: 144 total cpu time spent up to now is 221.4 secs Computing kpt #: 145 total cpu time spent up to now is 222.9 secs Computing kpt #: 146 total cpu time spent up to now is 223.9 secs Computing kpt #: 147 total cpu time spent up to now is 224.7 secs Computing kpt #: 148 total cpu time spent up to now is 225.4 secs Computing kpt #: 149 total cpu time spent up to now is 226.2 secs Computing kpt #: 150 total cpu time spent up to now is 227.0 secs Computing kpt #: 151 total cpu time spent up to now is 227.8 secs Computing kpt #: 152 total cpu time spent up to now is 228.8 secs Computing kpt #: 153 total cpu time spent up to now is 229.7 secs Computing kpt #: 154 total cpu time spent up to now is 230.7 secs Computing kpt #: 155 total cpu time spent up to now is 231.8 secs Computing kpt #: 156 total cpu time spent up to now is 233.8 secs Computing kpt #: 157 total cpu time spent up to now is 234.8 secs Computing kpt #: 158 total cpu time spent up to now is 235.7 secs Computing kpt #: 159 total cpu time spent up to now is 236.6 secs Computing kpt #: 160 total cpu time spent up to now is 237.5 secs Computing kpt #: 161 total cpu time spent up to now is 238.4 secs Computing kpt #: 162 total cpu time spent up to now is 239.2 secs Computing kpt #: 163 total cpu time spent up to now is 240.1 secs Computing kpt #: 164 total cpu time spent up to now is 241.1 secs Computing kpt #: 165 total cpu time spent up to now is 242.0 secs Computing kpt #: 166 total cpu time spent up to now is 242.8 secs Computing kpt #: 167 total cpu time spent up to now is 244.3 secs Computing kpt #: 168 total cpu time spent up to now is 245.2 secs Computing kpt #: 169 total cpu time spent up to now is 246.6 secs Computing kpt #: 170 total cpu time spent up to now is 247.7 secs Computing kpt #: 171 total cpu time spent up to now is 249.0 secs Computing kpt #: 172 total cpu time spent up to now is 249.8 secs Computing kpt #: 173 total cpu time spent up to now is 250.6 secs Computing kpt #: 174 total cpu time spent up to now is 251.4 secs Computing kpt #: 175 total cpu time spent up to now is 252.3 secs Computing kpt #: 176 total cpu time spent up to now is 253.2 secs Computing kpt #: 177 total cpu time spent up to now is 254.3 secs Computing kpt #: 178 total cpu time spent up to now is 255.3 secs Computing kpt #: 179 total cpu time spent up to now is 256.3 secs Computing kpt #: 180 total cpu time spent up to now is 258.1 secs Computing kpt #: 181 total cpu time spent up to now is 258.9 secs Computing kpt #: 182 total cpu time spent up to now is 259.6 secs Computing kpt #: 183 total cpu time spent up to now is 260.4 secs Computing kpt #: 184 total cpu time spent up to now is 261.1 secs Computing kpt #: 185 total cpu time spent up to now is 261.9 secs Computing kpt #: 186 total cpu time spent up to now is 262.6 secs Computing kpt #: 187 total cpu time spent up to now is 263.5 secs Computing kpt #: 188 total cpu time spent up to now is 264.4 secs Computing kpt #: 189 total cpu time spent up to now is 265.8 secs Computing kpt #: 190 total cpu time spent up to now is 266.9 secs Computing kpt #: 191 total cpu time spent up to now is 268.3 secs Computing kpt #: 192 total cpu time spent up to now is 269.0 secs Computing kpt #: 193 total cpu time spent up to now is 269.7 secs Computing kpt #: 194 total cpu time spent up to now is 270.4 secs Computing kpt #: 195 total cpu time spent up to now is 271.0 secs Computing kpt #: 196 total cpu time spent up to now is 271.7 secs Computing kpt #: 197 total cpu time spent up to now is 272.4 secs Computing kpt #: 198 total cpu time spent up to now is 273.0 secs Computing kpt #: 199 total cpu time spent up to now is 274.0 secs Computing kpt #: 200 total cpu time spent up to now is 274.9 secs Computing kpt #: 201 total cpu time spent up to now is 276.0 secs Computing kpt #: 202 total cpu time spent up to now is 276.8 secs Computing kpt #: 203 total cpu time spent up to now is 277.6 secs Computing kpt #: 204 total cpu time spent up to now is 278.4 secs Computing kpt #: 205 total cpu time spent up to now is 279.1 secs Computing kpt #: 206 total cpu time spent up to now is 279.8 secs Computing kpt #: 207 total cpu time spent up to now is 280.5 secs Computing kpt #: 208 total cpu time spent up to now is 281.2 secs Computing kpt #: 209 total cpu time spent up to now is 281.8 secs Computing kpt #: 210 total cpu time spent up to now is 282.5 secs Computing kpt #: 211 total cpu time spent up to now is 283.2 secs Computing kpt #: 212 total cpu time spent up to now is 283.9 secs Computing kpt #: 213 total cpu time spent up to now is 285.5 secs Computing kpt #: 214 total cpu time spent up to now is 286.3 secs Computing kpt #: 215 total cpu time spent up to now is 287.1 secs Computing kpt #: 216 total cpu time spent up to now is 287.9 secs Computing kpt #: 217 total cpu time spent up to now is 288.9 secs Computing kpt #: 218 total cpu time spent up to now is 289.9 secs Computing kpt #: 219 total cpu time spent up to now is 291.3 secs Computing kpt #: 220 total cpu time spent up to now is 293.3 secs Computing kpt #: 221 total cpu time spent up to now is 294.2 secs Computing kpt #: 222 total cpu time spent up to now is 295.0 secs Computing kpt #: 223 total cpu time spent up to now is 295.9 secs Computing kpt #: 224 total cpu time spent up to now is 296.8 secs Computing kpt #: 225 total cpu time spent up to now is 298.4 secs Computing kpt #: 226 total cpu time spent up to now is 300.2 secs Computing kpt #: 227 total cpu time spent up to now is 301.2 secs Computing kpt #: 228 total cpu time spent up to now is 302.5 secs Computing kpt #: 229 total cpu time spent up to now is 303.8 secs Computing kpt #: 230 total cpu time spent up to now is 305.1 secs Computing kpt #: 231 total cpu time spent up to now is 306.0 secs Computing kpt #: 232 total cpu time spent up to now is 306.9 secs Computing kpt #: 233 total cpu time spent up to now is 307.8 secs Computing kpt #: 234 total cpu time spent up to now is 308.7 secs Computing kpt #: 235 total cpu time spent up to now is 309.7 secs Computing kpt #: 236 total cpu time spent up to now is 310.6 secs Computing kpt #: 237 total cpu time spent up to now is 311.7 secs Computing kpt #: 238 total cpu time spent up to now is 312.7 secs Computing kpt #: 239 total cpu time spent up to now is 314.0 secs Computing kpt #: 240 total cpu time spent up to now is 315.2 secs Computing kpt #: 241 total cpu time spent up to now is 316.7 secs Computing kpt #: 242 total cpu time spent up to now is 318.1 secs Computing kpt #: 243 total cpu time spent up to now is 319.1 secs Computing kpt #: 244 total cpu time spent up to now is 320.1 secs Computing kpt #: 245 total cpu time spent up to now is 321.1 secs Computing kpt #: 246 total cpu time spent up to now is 322.2 secs Computing kpt #: 247 total cpu time spent up to now is 323.3 secs Computing kpt #: 248 total cpu time spent up to now is 324.4 secs Computing kpt #: 249 total cpu time spent up to now is 325.6 secs Computing kpt #: 250 total cpu time spent up to now is 326.7 secs Computing kpt #: 251 total cpu time spent up to now is 328.0 secs Computing kpt #: 252 total cpu time spent up to now is 329.1 secs Computing kpt #: 253 total cpu time spent up to now is 330.0 secs Computing kpt #: 254 total cpu time spent up to now is 330.8 secs Computing kpt #: 255 total cpu time spent up to now is 331.7 secs Computing kpt #: 256 total cpu time spent up to now is 332.8 secs Computing kpt #: 257 total cpu time spent up to now is 333.9 secs Computing kpt #: 258 total cpu time spent up to now is 334.8 secs Computing kpt #: 259 total cpu time spent up to now is 335.7 secs Computing kpt #: 260 total cpu time spent up to now is 336.6 secs Computing kpt #: 261 total cpu time spent up to now is 337.4 secs Computing kpt #: 262 total cpu time spent up to now is 338.2 secs Computing kpt #: 263 total cpu time spent up to now is 339.0 secs Computing kpt #: 264 total cpu time spent up to now is 339.8 secs Computing kpt #: 265 total cpu time spent up to now is 340.6 secs Computing kpt #: 266 total cpu time spent up to now is 341.4 secs Computing kpt #: 267 total cpu time spent up to now is 342.2 secs Computing kpt #: 268 total cpu time spent up to now is 343.3 secs Computing kpt #: 269 total cpu time spent up to now is 345.5 secs Computing kpt #: 270 total cpu time spent up to now is 346.5 secs Computing kpt #: 271 total cpu time spent up to now is 347.5 secs Computing kpt #: 272 total cpu time spent up to now is 348.9 secs Computing kpt #: 273 total cpu time spent up to now is 351.1 secs Computing kpt #: 274 total cpu time spent up to now is 352.7 secs Computing kpt #: 275 total cpu time spent up to now is 354.6 secs Computing kpt #: 276 total cpu time spent up to now is 355.6 secs Computing kpt #: 277 total cpu time spent up to now is 356.4 secs Computing kpt #: 278 total cpu time spent up to now is 357.2 secs Computing kpt #: 279 total cpu time spent up to now is 358.0 secs Computing kpt #: 280 total cpu time spent up to now is 358.8 secs Computing kpt #: 281 total cpu time spent up to now is 359.6 secs Computing kpt #: 282 total cpu time spent up to now is 360.4 secs Computing kpt #: 283 total cpu time spent up to now is 361.2 secs Computing kpt #: 284 total cpu time spent up to now is 362.2 secs Computing kpt #: 285 total cpu time spent up to now is 363.3 secs Computing kpt #: 286 total cpu time spent up to now is 364.4 secs Computing kpt #: 287 total cpu time spent up to now is 365.6 secs Computing kpt #: 288 total cpu time spent up to now is 367.8 secs Computing kpt #: 289 total cpu time spent up to now is 369.0 secs Computing kpt #: 290 total cpu time spent up to now is 370.2 secs Computing kpt #: 291 total cpu time spent up to now is 371.0 secs Computing kpt #: 292 total cpu time spent up to now is 371.7 secs Computing kpt #: 293 total cpu time spent up to now is 372.3 secs Computing kpt #: 294 total cpu time spent up to now is 373.0 secs Computing kpt #: 295 total cpu time spent up to now is 373.7 secs Computing kpt #: 296 total cpu time spent up to now is 374.4 secs Computing kpt #: 297 total cpu time spent up to now is 375.1 secs Computing kpt #: 298 total cpu time spent up to now is 376.2 secs Computing kpt #: 299 total cpu time spent up to now is 377.1 secs Computing kpt #: 300 total cpu time spent up to now is 377.8 secs Computing kpt #: 301 total cpu time spent up to now is 378.6 secs Computing kpt #: 302 total cpu time spent up to now is 379.3 secs Computing kpt #: 303 total cpu time spent up to now is 380.1 secs Computing kpt #: 304 total cpu time spent up to now is 381.0 secs Computing kpt #: 305 total cpu time spent up to now is 381.9 secs Computing kpt #: 306 total cpu time spent up to now is 382.8 secs Computing kpt #: 307 total cpu time spent up to now is 383.7 secs Computing kpt #: 308 total cpu time spent up to now is 384.6 secs Computing kpt #: 309 total cpu time spent up to now is 385.8 secs Computing kpt #: 310 total cpu time spent up to now is 386.7 secs Computing kpt #: 311 total cpu time spent up to now is 387.5 secs Computing kpt #: 312 total cpu time spent up to now is 388.2 secs Computing kpt #: 313 total cpu time spent up to now is 389.0 secs Computing kpt #: 314 total cpu time spent up to now is 389.8 secs Computing kpt #: 315 total cpu time spent up to now is 391.8 secs Computing kpt #: 316 total cpu time spent up to now is 394.0 secs Computing kpt #: 317 total cpu time spent up to now is 396.5 secs Computing kpt #: 318 total cpu time spent up to now is 397.9 secs Computing kpt #: 319 total cpu time spent up to now is 399.7 secs Computing kpt #: 320 total cpu time spent up to now is 401.0 secs Computing kpt #: 321 total cpu time spent up to now is 402.4 secs Computing kpt #: 322 total cpu time spent up to now is 403.7 secs Computing kpt #: 323 total cpu time spent up to now is 405.1 secs Computing kpt #: 324 total cpu time spent up to now is 406.6 secs Computing kpt #: 325 total cpu time spent up to now is 408.1 secs Computing kpt #: 326 total cpu time spent up to now is 409.8 secs Computing kpt #: 327 total cpu time spent up to now is 412.1 secs Computing kpt #: 328 total cpu time spent up to now is 415.7 secs Computing kpt #: 329 total cpu time spent up to now is 416.9 secs Computing kpt #: 330 total cpu time spent up to now is 418.2 secs Computing kpt #: 331 total cpu time spent up to now is 420.0 secs Computing kpt #: 332 total cpu time spent up to now is 421.5 secs Computing kpt #: 333 total cpu time spent up to now is 422.8 secs Computing kpt #: 334 total cpu time spent up to now is 424.6 secs Computing kpt #: 335 total cpu time spent up to now is 426.5 secs Computing kpt #: 336 total cpu time spent up to now is 427.9 secs Computing kpt #: 337 total cpu time spent up to now is 429.5 secs Computing kpt #: 338 total cpu time spent up to now is 431.6 secs Computing kpt #: 339 total cpu time spent up to now is 432.5 secs Computing kpt #: 340 total cpu time spent up to now is 433.4 secs ethr = 2.78E-11, avg # of iterations = 23.9 total cpu time spent up to now is 433.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2803 PWs) bands (ev): -7.6600 -7.6600 -7.6242 -7.6242 -7.6221 -7.6221 -7.6149 -7.6149 -7.2218 -7.2218 -7.2010 -7.2010 -7.1619 -7.1619 -7.1461 -7.1461 -7.1421 -7.1421 -7.1154 -7.1154 -5.7043 -5.7043 -3.7192 -3.7192 0.4981 0.4981 6.0947 6.0947 6.3032 6.3032 7.2926 7.2926 7.6227 7.6227 7.7116 7.7116 8.3966 8.3966 8.6371 8.6371 10.9666 10.9666 11.1042 11.1042 k = 0.0106 0.0061-0.0000 ( 2803 PWs) bands (ev): -7.6619 -7.6583 -7.6242 -7.6242 -7.6223 -7.6219 -7.6149 -7.6149 -7.2248 -7.2188 -7.2012 -7.2009 -7.1627 -7.1612 -7.1462 -7.1460 -7.1422 -7.1422 -7.1154 -7.1154 -5.7030 -5.7030 -3.7184 -3.7179 0.4981 0.4996 6.0832 6.0880 6.2932 6.2934 7.2796 7.2935 7.6021 7.6229 7.6962 7.6984 8.4095 8.4140 8.6591 8.6621 10.9655 10.9687 11.1041 11.1042 k = 0.0213 0.0123-0.0000 ( 2795 PWs) bands (ev): -7.6638 -7.6566 -7.6242 -7.6242 -7.6225 -7.6217 -7.6148 -7.6147 -7.2277 -7.2159 -7.2014 -7.2008 -7.1634 -7.1603 -7.1462 -7.1459 -7.1422 -7.1422 -7.1155 -7.1155 -5.6990 -5.6990 -3.7156 -3.7147 0.4996 0.5025 6.0517 6.0617 6.2663 6.2674 7.2526 7.2808 7.5520 7.5975 7.6654 7.6747 8.4513 8.4601 8.7221 8.7267 10.9644 10.9712 11.1047 11.1053 k = 0.0319 0.0184-0.0000 ( 2811 PWs) bands (ev): -7.6658 -7.6550 -7.6243 -7.6243 -7.6227 -7.6215 -7.6147 -7.6146 -7.2307 -7.2131 -7.2018 -7.2008 -7.1641 -7.1595 -7.1462 -7.1459 -7.1423 -7.1423 -7.1156 -7.1156 -5.6924 -5.6923 -3.7108 -3.7094 0.5025 0.5068 5.9965 6.0118 6.2301 6.2328 7.2058 7.2463 7.4799 7.5396 7.6451 7.6545 8.5183 8.5308 8.8126 8.8170 10.9615 10.9722 11.1084 11.1101 k = 0.0426 0.0246-0.0000 ( 2813 PWs) bands (ev): -7.6678 -7.6536 -7.6244 -7.6243 -7.6230 -7.6212 -7.6145 -7.6143 -7.2337 -7.2102 -7.2022 -7.2009 -7.1647 -7.1587 -7.1463 -7.1458 -7.1425 -7.1424 -7.1158 -7.1158 -5.6831 -5.6831 -3.7040 -3.7022 0.5068 0.5126 5.9164 5.9359 6.1920 6.1959 7.1320 7.1755 7.4141 7.4745 7.6294 7.6360 8.6051 8.6205 8.9184 8.9215 10.9550 10.9695 11.1184 11.1213 k = 0.0532 0.0307-0.0000 ( 2813 PWs) bands (ev): -7.6697 -7.6522 -7.6246 -7.6244 -7.6232 -7.6209 -7.6143 -7.6138 -7.2366 -7.2074 -7.2027 -7.2010 -7.1653 -7.1579 -7.1463 -7.1458 -7.1427 -7.1425 -7.1159 -7.1159 -5.6713 -5.6711 -3.6951 -3.6929 0.5125 0.5198 5.8143 5.8367 6.1546 6.1589 7.0289 7.0647 7.3686 7.4188 7.6121 7.6163 8.7059 8.7235 9.0312 9.0325 10.9447 10.9624 11.1370 11.1406 k = 0.0638 0.0369-0.0000 ( 2813 PWs) bands (ev): -7.6717 -7.6510 -7.6248 -7.6246 -7.6235 -7.6206 -7.6141 -7.6132 -7.2395 -7.2049 -7.2030 -7.2012 -7.1659 -7.1571 -7.1462 -7.1457 -7.1430 -7.1425 -7.1161 -7.1160 -5.6568 -5.6566 -3.6843 -3.6817 0.5194 0.5284 5.6954 5.7198 6.1170 6.1212 6.9022 6.9279 7.3355 7.3732 7.5919 7.5941 8.8154 8.8341 9.1454 9.1459 10.9323 10.9525 11.1642 11.1681 k = 0.0745 0.0430-0.0000 ( 2817 PWs) bands (ev): -7.6736 -7.6500 -7.6250 -7.6248 -7.6239 -7.6203 -7.6138 -7.6125 -7.2423 -7.2043 -7.2015 -7.2014 -7.1664 -7.1563 -7.1462 -7.1458 -7.1433 -7.1425 -7.1163 -7.1162 -5.6397 -5.6395 -3.6716 -3.6686 0.5277 0.5382 5.5645 5.5903 6.0780 6.0819 6.7596 6.7770 7.3062 7.3334 7.5684 7.5691 8.9282 8.9469 9.2577 9.2596 10.9208 10.9429 11.1993 11.2029 k = 0.0851 0.0491-0.0000 ( 2817 PWs) bands (ev): -7.6756 -7.6491 -7.6253 -7.6252 -7.6241 -7.6200 -7.6135 -7.6116 -7.2451 -7.2050 -7.2016 -7.1990 -7.1669 -7.1555 -7.1462 -7.1459 -7.1436 -7.1424 -7.1166 -7.1164 -5.6202 -5.6199 -3.6569 -3.6535 0.5370 0.5492 5.4254 5.4522 6.0368 6.0402 6.6071 6.6184 7.2766 7.2956 7.5410 7.5417 9.0396 9.0569 9.3679 9.3702 10.9136 10.9372 11.2408 11.2440 k = 0.0957 0.0553-0.0000 ( 2809 PWs) bands (ev): -7.6774 -7.6483 -7.6258 -7.6257 -7.6242 -7.6196 -7.6132 -7.6105 -7.2477 -7.2058 -7.2018 -7.1964 -7.1673 -7.1548 -7.1462 -7.1460 -7.1438 -7.1422 -7.1168 -7.1166 -5.5980 -5.5977 -3.6403 -3.6366 0.5475 0.5613 5.2807 5.3084 5.9932 5.9961 6.4483 6.4551 7.2451 7.2577 7.5100 7.5117 9.1449 9.1594 9.4751 9.4764 10.9145 10.9393 11.2878 11.2905 k = 0.1064 0.0614-0.0000 ( 2813 PWs) bands (ev): -7.6793 -7.6478 -7.6265 -7.6261 -7.6243 -7.6193 -7.6128 -7.6094 -7.2504 -7.2067 -7.2021 -7.1939 -7.1677 -7.1541 -7.1463 -7.1461 -7.1440 -7.1420 -7.1171 -7.1168 -5.5735 -5.5730 -3.6219 -3.6179 0.5589 0.5744 5.1325 5.1611 5.9472 5.9494 6.2855 6.2890 7.2109 7.2183 7.4761 7.4786 9.2399 9.2501 9.5775 9.5784 10.9271 10.9529 11.3393 11.3413 k = 0.1170 0.0676-0.0000 ( 2817 PWs) bands (ev): -7.6811 -7.6474 -7.6273 -7.6265 -7.6244 -7.6190 -7.6124 -7.6081 -7.2529 -7.2078 -7.2024 -7.1915 -7.1681 -7.1535 -7.1464 -7.1462 -7.1441 -7.1417 -7.1174 -7.1170 -5.5464 -5.5458 -3.6017 -3.5974 0.5710 0.5884 4.9825 5.0119 5.8985 5.8997 6.1206 6.1219 7.1737 7.1767 7.4395 7.4427 9.3211 9.3261 9.6724 9.6766 10.9549 10.9813 11.3944 11.3958 k = 0.1277 0.0737-0.0000 ( 2817 PWs) bands (ev): -7.6828 -7.6471 -7.6282 -7.6270 -7.6244 -7.6186 -7.6120 -7.6067 -7.2554 -7.2089 -7.2026 -7.1891 -7.1684 -7.1530 -7.1466 -7.1462 -7.1442 -7.1413 -7.1178 -7.1172 -5.5169 -5.5162 -3.5797 -3.5752 0.5839 0.6031 4.8318 4.8621 5.8445 5.8459 5.9559 5.9572 7.1325 7.1332 7.4004 7.4042 9.3858 9.3860 9.7606 9.7681 11.0003 11.0272 11.4522 11.4529 k = 0.1383 0.0798-0.0000 ( 2813 PWs) bands (ev): -7.6845 -7.6469 -7.6292 -7.6275 -7.6244 -7.6182 -7.6115 -7.6053 -7.2577 -7.2100 -7.2029 -7.1869 -7.1687 -7.1527 -7.1469 -7.1462 -7.1440 -7.1409 -7.1181 -7.1174 -5.4851 -5.4842 -3.5560 -3.5513 0.5972 0.6184 4.6816 4.7127 5.7549 5.7651 5.8172 5.8249 7.0855 7.0894 7.3590 7.3633 9.4289 9.4336 9.8412 9.8515 11.0644 11.0916 11.5118 11.5118 k = 0.1489 0.0860-0.0000 ( 2821 PWs) bands (ev): -7.6862 -7.6469 -7.6303 -7.6281 -7.6243 -7.6179 -7.6110 -7.6040 -7.2600 -7.2113 -7.2031 -7.1848 -7.1690 -7.1525 -7.1472 -7.1460 -7.1439 -7.1405 -7.1184 -7.1176 -5.4509 -5.4498 -3.5307 -3.5259 0.6108 0.6340 4.5326 4.5647 5.5987 5.6085 5.7525 5.7578 7.0355 7.0422 7.3157 7.3204 9.4564 9.4644 9.9140 9.9258 11.1463 11.1738 11.5714 11.5723 k = 0.1596 0.0921-0.0000 ( 2817 PWs) bands (ev): -7.6877 -7.6471 -7.6313 -7.6287 -7.6243 -7.6175 -7.6105 -7.6025 -7.2621 -7.2126 -7.2033 -7.1827 -7.1692 -7.1525 -7.1475 -7.1458 -7.1436 -7.1400 -7.1188 -7.1177 -5.4144 -5.4132 -3.5039 -3.4989 0.6244 0.6497 4.3858 4.4189 5.4311 5.4414 5.6974 5.7016 6.9825 6.9916 7.2707 7.2758 9.4700 9.4800 9.9791 9.9913 11.2434 11.2711 11.6309 11.6327 k = 0.1702 0.0983-0.0000 ( 2821 PWs) bands (ev): -7.6892 -7.6473 -7.6325 -7.6293 -7.6242 -7.6172 -7.6099 -7.6011 -7.2641 -7.2140 -7.2035 -7.1809 -7.1694 -7.1526 -7.1477 -7.1454 -7.1433 -7.1395 -7.1191 -7.1178 -5.3757 -5.3742 -3.4756 -3.4706 0.6377 0.6653 4.2418 4.2760 5.2621 5.2735 5.6429 5.6465 6.9263 6.9377 7.2244 7.2299 9.4717 9.4827 10.0371 10.0485 11.3518 11.3790 11.6888 11.6920 k = 0.1809 0.1044-0.0000 ( 2821 PWs) bands (ev): -7.6907 -7.6478 -7.6336 -7.6299 -7.6241 -7.6169 -7.6094 -7.5997 -7.2660 -7.2154 -7.2036 -7.1791 -7.1696 -7.1527 -7.1479 -7.1450 -7.1429 -7.1390 -7.1195 -7.1179 -5.3348 -5.3331 -3.4459 -3.4409 0.6506 0.6804 4.1014 4.1366 5.0934 5.1060 5.5884 5.5917 6.8671 6.8804 7.1772 7.1829 9.4639 9.4751 10.0882 10.0981 11.4666 11.4914 11.7437 11.7490 k = 0.1915 0.1106-0.0000 ( 2813 PWs) bands (ev): -7.6920 -7.6483 -7.6346 -7.6305 -7.6240 -7.6165 -7.6088 -7.5983 -7.2677 -7.2169 -7.2036 -7.1775 -7.1698 -7.1530 -7.1481 -7.1445 -7.1425 -7.1384 -7.1198 -7.1180 -5.2917 -5.2899 -3.4151 -3.4100 0.6626 0.6948 3.9653 4.0016 4.9255 4.9392 5.5341 5.5371 6.8049 6.8198 7.1293 7.1352 9.4485 9.4594 10.1331 10.1411 11.5815 11.5995 11.7935 11.8029 k = 0.2021 0.1167-0.0000 ( 2817 PWs) bands (ev): -7.6933 -7.6491 -7.6356 -7.6311 -7.6238 -7.6162 -7.6082 -7.5970 -7.2693 -7.2184 -7.2037 -7.1760 -7.1700 -7.1533 -7.1481 -7.1441 -7.1420 -7.1379 -7.1201 -7.1180 -5.2465 -5.2445 -3.3831 -3.3781 0.6733 0.7080 3.8341 3.8715 4.7586 4.7736 5.4800 5.4828 6.7397 6.7561 7.0811 7.0871 9.4274 9.4378 10.1720 10.1780 11.6864 11.6880 11.8372 11.8554 k = 0.2128 0.1228-0.0000 ( 2813 PWs) bands (ev): -7.6945 -7.6500 -7.6365 -7.6318 -7.6237 -7.6159 -7.6076 -7.5958 -7.2707 -7.2199 -7.2036 -7.1747 -7.1702 -7.1537 -7.1481 -7.1436 -7.1415 -7.1374 -7.1204 -7.1179 -5.1994 -5.1971 -3.3502 -3.3453 0.6825 0.7196 3.7085 3.7470 4.5932 4.6095 5.4263 5.4291 6.6717 6.6894 7.0330 7.0390 9.4022 9.4119 10.2052 10.2092 11.7391 11.7593 11.8866 11.9106 k = 0.2234 0.1290-0.0000 ( 2811 PWs) bands (ev): -7.6956 -7.6511 -7.6374 -7.6325 -7.6235 -7.6157 -7.6070 -7.5946 -7.2719 -7.2215 -7.2036 -7.1735 -7.1704 -7.1540 -7.1479 -7.1431 -7.1409 -7.1369 -7.1207 -7.1179 -5.1503 -5.1478 -3.3164 -3.3116 0.6897 0.7293 3.5893 3.6287 4.4293 4.4471 5.3733 5.3760 6.6010 6.6198 6.9851 6.9911 9.3740 9.3829 10.2329 10.2351 11.7555 11.7850 11.9526 11.9630 k = 0.2340 0.1351-0.0000 ( 2811 PWs) bands (ev): -7.6967 -7.6524 -7.6381 -7.6331 -7.6233 -7.6154 -7.6064 -7.5935 -7.2731 -7.2232 -7.2034 -7.1726 -7.1706 -7.1544 -7.1477 -7.1427 -7.1404 -7.1364 -7.1210 -7.1178 -5.0993 -5.0966 -3.2820 -3.2774 0.6944 0.7365 3.4770 3.5172 4.2674 4.2867 5.3212 5.3238 6.5278 6.5475 6.9377 6.9436 9.3437 9.3519 10.2553 10.2560 11.7543 11.7861 12.0074 12.0086 k = 0.2447 0.1413-0.0000 ( 2812 PWs) bands (ev): -7.6977 -7.6538 -7.6388 -7.6338 -7.6231 -7.6151 -7.6058 -7.5926 -7.2741 -7.2248 -7.2033 -7.1720 -7.1706 -7.1548 -7.1474 -7.1423 -7.1397 -7.1359 -7.1212 -7.1176 -5.0464 -5.0436 -3.2473 -3.2429 0.6963 0.7408 3.3724 3.4131 4.1076 4.1286 5.2700 5.2726 6.4524 6.4728 6.8910 6.8968 9.3121 9.3196 10.2721 10.2727 11.7455 11.7790 12.0453 12.0489 k = 0.2553 0.1474-0.0000 ( 2812 PWs) bands (ev): -7.6985 -7.6554 -7.6394 -7.6345 -7.6229 -7.6149 -7.6052 -7.5917 -7.2749 -7.2264 -7.2030 -7.1721 -7.1701 -7.1552 -7.1470 -7.1418 -7.1391 -7.1354 -7.1215 -7.1174 -4.9919 -4.9888 -3.2123 -3.2081 0.6950 0.7418 3.2761 3.3168 3.9502 3.9733 5.2200 5.2225 6.3750 6.3960 6.8452 6.8509 9.2798 9.2865 10.2837 10.2851 11.7337 11.7687 12.0776 12.0812 k = 0.2660 0.1536-0.0000 ( 2816 PWs) bands (ev): -7.6993 -7.6571 -7.6400 -7.6352 -7.6227 -7.6147 -7.6046 -7.5909 -7.2756 -7.2281 -7.2027 -7.1724 -7.1695 -7.1556 -7.1466 -7.1414 -7.1384 -7.1350 -7.1217 -7.1172 -4.9358 -4.9325 -3.1773 -3.1734 0.6902 0.7390 3.1885 3.2286 3.7955 3.8212 5.1712 5.1738 6.2958 6.3174 6.8006 6.8061 9.2471 9.2531 10.2909 10.2931 11.7203 11.7568 12.1048 12.1079 k = 0.2766 0.1597-0.0000 ( 2814 PWs) bands (ev): -7.7001 -7.6588 -7.6404 -7.6359 -7.6224 -7.6145 -7.6040 -7.5902 -7.2761 -7.2298 -7.2024 -7.1728 -7.1688 -7.1560 -7.1461 -7.1410 -7.1377 -7.1346 -7.1218 -7.1169 -4.8781 -4.8746 -3.1427 -3.1390 0.6816 0.7323 3.1099 3.1483 3.6442 3.6730 5.1239 5.1265 6.2152 6.2371 6.7571 6.7624 9.2144 9.2197 10.2942 10.2968 11.7061 11.7438 12.1274 12.1298 k = 0.2872 0.1658-0.0000 ( 2818 PWs) bands (ev): -7.7007 -7.6607 -7.6409 -7.6365 -7.6221 -7.6144 -7.6035 -7.5896 -7.2765 -7.2315 -7.2020 -7.1733 -7.1682 -7.1564 -7.1456 -7.1407 -7.1370 -7.1343 -7.1219 -7.1166 -4.8191 -4.8154 -3.1087 -3.1053 0.6693 0.7215 3.0400 3.0754 3.4968 3.5300 5.0782 5.0808 6.1335 6.1556 6.7150 6.7200 9.1819 9.1867 10.2939 10.2967 11.6911 11.7295 12.1456 12.1474 k = 0.2979 0.1720-0.0000 ( 2818 PWs) bands (ev): -7.7013 -7.6625 -7.6413 -7.6372 -7.6219 -7.6142 -7.6029 -7.5891 -7.2768 -7.2331 -7.2015 -7.1739 -7.1677 -7.1568 -7.1451 -7.1403 -7.1363 -7.1340 -7.1220 -7.1163 -4.7587 -4.7549 -3.0756 -3.0725 0.6533 0.7065 2.9781 3.0081 3.3547 3.3942 5.0340 5.0367 6.0509 6.0732 6.6743 6.6791 9.1499 9.1542 10.2903 10.2932 11.6754 11.7137 12.1598 12.1612 k = 0.3085 0.1781-0.0000 ( 2822 PWs) bands (ev): -7.7018 -7.6645 -7.6417 -7.6378 -7.6216 -7.6141 -7.6023 -7.5887 -7.2769 -7.2348 -7.2010 -7.1745 -7.1672 -7.1572 -7.1445 -7.1400 -7.1356 -7.1338 -7.1220 -7.1159 -4.6973 -4.6933 -3.0437 -3.0410 0.6338 0.6877 2.9215 2.9428 3.2208 3.2694 4.9917 4.9944 5.9678 5.9902 6.6352 6.6398 9.1186 9.1223 10.2840 10.2868 11.6589 11.6965 12.1705 12.1715 k = 0.3191 0.1843-0.0000 ( 2824 PWs) bands (ev): -7.7021 -7.6664 -7.6421 -7.6384 -7.6213 -7.6140 -7.6017 -7.5884 -7.2769 -7.2365 -7.2005 -7.1751 -7.1668 -7.1575 -7.1440 -7.1397 -7.1350 -7.1335 -7.1219 -7.1156 -4.6349 -4.6308 -3.0135 -3.0110 0.6115 0.6655 2.8639 2.8730 3.1013 3.1621 4.9511 4.9539 5.8845 5.9069 6.5978 6.6021 9.0881 9.0914 10.2754 10.2781 11.6415 11.6777 12.1781 12.1789 k = 0.3298 0.1904-0.0000 ( 2818 PWs) bands (ev): -7.7024 -7.6684 -7.6424 -7.6390 -7.6210 -7.6140 -7.6011 -7.5881 -7.2767 -7.2381 -7.1999 -7.1758 -7.1663 -7.1579 -7.1434 -7.1393 -7.1344 -7.1333 -7.1217 -7.1152 -4.5717 -4.5675 -2.9853 -2.9831 0.5868 0.6405 2.7903 2.7926 3.0089 3.0806 4.9125 4.9154 5.8015 5.8237 6.5621 6.5661 9.0585 9.0614 10.2649 10.2674 11.6234 11.6578 12.1831 12.1838 k = 0.3404 0.1965-0.0000 ( 2826 PWs) bands (ev): -7.7027 -7.6704 -7.6428 -7.6396 -7.6207 -7.6140 -7.6005 -7.5880 -7.2765 -7.2398 -7.1993 -7.1765 -7.1660 -7.1582 -7.1428 -7.1390 -7.1339 -7.1332 -7.1215 -7.1149 -4.5080 -4.5038 -2.9594 -2.9575 0.5606 0.6135 2.6921 2.6979 2.9528 3.0271 4.8759 4.8789 5.7190 5.7410 6.5282 6.5320 9.0300 9.0326 10.2530 10.2553 11.6048 11.6369 12.1858 12.1864 k = 0.3511 0.2027-0.0000 ( 2832 PWs) bands (ev): -7.7028 -7.6723 -7.6430 -7.6402 -7.6204 -7.6139 -7.5999 -7.5879 -7.2762 -7.2414 -7.1987 -7.1772 -7.1656 -7.1586 -7.1423 -7.1387 -7.1335 -7.1331 -7.1212 -7.1145 -4.4440 -4.4397 -2.9362 -2.9346 0.5337 0.5856 2.5833 2.5872 2.9253 2.9963 4.8413 4.8444 5.6375 5.6592 6.4962 6.4997 9.0028 9.0050 10.2402 10.2422 11.5859 11.6155 12.1866 12.1872 k = 0.3617 0.2088-0.0000 ( 2832 PWs) bands (ev): -7.7028 -7.6743 -7.6433 -7.6407 -7.6201 -7.6140 -7.5993 -7.5879 -7.2757 -7.2430 -7.1980 -7.1779 -7.1653 -7.1589 -7.1417 -7.1384 -7.1332 -7.1330 -7.1208 -7.1142 -4.3800 -4.3756 -2.9162 -2.9147 0.5072 0.5575 2.4702 2.4711 2.9151 2.9813 4.8088 4.8120 5.5575 5.5788 6.4662 6.4694 8.9768 8.9787 10.2267 10.2285 11.5670 11.5941 12.1859 12.1865 k = 0.3723 0.2150-0.0000 ( 2828 PWs) bands (ev): -7.7028 -7.6762 -7.6436 -7.6412 -7.6197 -7.6140 -7.5987 -7.5879 -7.2751 -7.2446 -7.1973 -7.1786 -7.1650 -7.1592 -7.1411 -7.1381 -7.1330 -7.1330 -7.1203 -7.1139 -4.3163 -4.3119 -2.8994 -2.8982 0.4820 0.5303 2.3552 2.3570 2.9161 2.9775 4.7786 4.7819 5.4793 5.5000 6.4381 6.4411 8.9523 8.9539 10.2129 10.2145 11.5486 11.5731 12.1841 12.1846 k = 0.3830 0.2211-0.0000 ( 2832 PWs) bands (ev): -7.7026 -7.6781 -7.6438 -7.6417 -7.6194 -7.6141 -7.5981 -7.5881 -7.2744 -7.2462 -7.1966 -7.1793 -7.1647 -7.1595 -7.1406 -7.1379 -7.1329 -7.1328 -7.1198 -7.1137 -4.2533 -4.2489 -2.8863 -2.8852 0.4588 0.5050 2.2422 2.2462 2.9250 2.9817 4.7505 4.7539 5.4036 5.4236 6.4121 6.4149 8.9293 8.9307 10.1993 10.2007 11.5307 11.5528 12.1813 12.1818 k = 0.3936 0.2273-0.0000 ( 2832 PWs) bands (ev): -7.7024 -7.6799 -7.6440 -7.6421 -7.6191 -7.6141 -7.5975 -7.5882 -7.2736 -7.2478 -7.1959 -7.1801 -7.1644 -7.1598 -7.1400 -7.1376 -7.1330 -7.1327 -7.1192 -7.1134 -4.1914 -4.1871 -2.8769 -2.8759 0.4384 0.4821 2.1336 2.1392 2.9396 2.9918 4.7247 4.7282 5.3308 5.3499 6.3883 6.3908 8.9080 8.9092 10.1860 10.1872 11.5138 11.5334 12.1780 12.1784 k = 0.4043 0.2334-0.0000 ( 2832 PWs) bands (ev): -7.7020 -7.6817 -7.6442 -7.6426 -7.6188 -7.6143 -7.5970 -7.5884 -7.2728 -7.2494 -7.1951 -7.1808 -7.1642 -7.1601 -7.1395 -7.1373 -7.1330 -7.1327 -7.1186 -7.1133 -4.1312 -4.1271 -2.8712 -2.8703 0.4215 0.4623 2.0306 2.0373 2.9586 3.0063 4.7013 4.7048 5.2617 5.2797 6.3666 6.3688 8.8884 8.8894 10.1733 10.1743 11.4981 11.5154 12.1742 12.1746 k = 0.4149 0.2395-0.0000 ( 2824 PWs) bands (ev): -7.7016 -7.6835 -7.6443 -7.6429 -7.6185 -7.6144 -7.5964 -7.5887 -7.2719 -7.2509 -7.1943 -7.1816 -7.1639 -7.1604 -7.1389 -7.1370 -7.1330 -7.1327 -7.1180 -7.1131 -4.0733 -4.0693 -2.8691 -2.8683 0.4083 0.4461 1.9340 1.9416 2.9804 3.0236 4.6801 4.6837 5.1968 5.2136 6.3471 6.3491 8.8706 8.8715 10.1614 10.1622 11.4837 11.4988 12.1703 12.1707 k = 0.4255 0.2457-0.0000 ( 2826 PWs) bands (ev): -7.7011 -7.6851 -7.6445 -7.6433 -7.6181 -7.6145 -7.5958 -7.5890 -7.2709 -7.2525 -7.1935 -7.1823 -7.1637 -7.1606 -7.1384 -7.1367 -7.1332 -7.1328 -7.1174 -7.1130 -4.0184 -4.0147 -2.8703 -2.8695 0.3991 0.4334 1.8448 1.8528 3.0039 3.0424 4.6614 4.6650 5.1369 5.1522 6.3298 6.3316 8.8548 8.8555 10.1505 10.1512 11.4708 11.4838 12.1665 12.1668 k = 0.4362 0.2518-0.0000 ( 2832 PWs) bands (ev): -7.7005 -7.6868 -7.6446 -7.6436 -7.6178 -7.6147 -7.5952 -7.5894 -7.2699 -7.2540 -7.1927 -7.1831 -7.1635 -7.1609 -7.1380 -7.1364 -7.1333 -7.1330 -7.1168 -7.1130 -3.9674 -3.9640 -2.8742 -2.8734 0.3936 0.4241 1.7642 1.7722 3.0278 3.0616 4.6452 4.6486 5.0828 5.0964 6.3148 6.3163 8.8408 8.8414 10.1408 10.1414 11.4595 11.4705 12.1628 12.1631 k = 0.4468 0.2580-0.0000 ( 2826 PWs) bands (ev): -7.6998 -7.6884 -7.6447 -7.6438 -7.6175 -7.6149 -7.5947 -7.5897 -7.2687 -7.2555 -7.1919 -7.1839 -7.1633 -7.1611 -7.1375 -7.1362 -7.1334 -7.1331 -7.1163 -7.1130 -3.9212 -3.9182 -2.8801 -2.8794 0.3914 0.4178 1.6931 1.7007 3.0511 3.0798 4.6314 4.6346 5.0353 5.0470 6.3021 6.3033 8.8290 8.8294 10.1324 10.1329 11.4500 11.4590 12.1595 12.1597 k = 0.4574 0.2641-0.0000 ( 2822 PWs) bands (ev): -7.6990 -7.6898 -7.6447 -7.6441 -7.6172 -7.6151 -7.5941 -7.5901 -7.2676 -7.2569 -7.1911 -7.1847 -7.1630 -7.1614 -7.1370 -7.1360 -7.1335 -7.1333 -7.1157 -7.1131 -3.8810 -3.8784 -2.8871 -2.8865 0.3920 0.4138 1.6327 1.6395 3.0725 3.0959 4.6201 4.6230 4.9952 5.0048 6.2917 6.2927 8.8192 8.8195 10.1254 10.1258 11.4423 11.4494 12.1567 12.1568 k = 0.4681 0.2702-0.0000 ( 2832 PWs) bands (ev): -7.6982 -7.6913 -7.6448 -7.6443 -7.6169 -7.6153 -7.5936 -7.5906 -7.2664 -7.2584 -7.1903 -7.1855 -7.1629 -7.1616 -7.1366 -7.1358 -7.1337 -7.1335 -7.1152 -7.1133 -3.8479 -3.8459 -2.8941 -2.8936 0.3946 0.4114 1.5844 1.5899 3.0912 3.1090 4.6114 4.6138 4.9634 4.9707 6.2836 6.2843 8.8115 8.8118 10.1198 10.1201 11.4364 11.4417 12.1543 12.1545 k = 0.4787 0.2764-0.0000 ( 2828 PWs) bands (ev): -7.6973 -7.6926 -7.6448 -7.6445 -7.6166 -7.6155 -7.5930 -7.5911 -7.2651 -7.2598 -7.1895 -7.1863 -7.1626 -7.1618 -7.1362 -7.1356 -7.1338 -7.1337 -7.1148 -7.1135 -3.8231 -3.8217 -2.9001 -2.8998 0.3982 0.4096 1.5491 1.5531 3.1061 3.1182 4.6053 4.6071 4.9404 4.9453 6.2778 6.2783 8.8060 8.8062 10.1159 10.1160 11.4324 11.4359 12.1527 12.1528 k = 0.4894 0.2825-0.0000 ( 2830 PWs) bands (ev): -7.6962 -7.6939 -7.6448 -7.6446 -7.6163 -7.6157 -7.5925 -7.5915 -7.2639 -7.2612 -7.1887 -7.1871 -7.1624 -7.1620 -7.1359 -7.1356 -7.1339 -7.1338 -7.1144 -7.1137 -3.8075 -3.8068 -2.9042 -2.9040 0.4019 0.4077 1.5280 1.5301 3.1167 3.1227 4.6019 4.6028 4.9269 4.9294 6.2744 6.2747 8.8027 8.8028 10.1135 10.1135 11.4303 11.4321 12.1516 12.1517 k = 0.5000 0.2887-0.0000 ( 2834 PWs) bands (ev): -7.6951 -7.6951 -7.6447 -7.6447 -7.6160 -7.6160 -7.5920 -7.5920 -7.2625 -7.2625 -7.1879 -7.1879 -7.1623 -7.1623 -7.1357 -7.1357 -7.1339 -7.1339 -7.1140 -7.1140 -3.8020 -3.8020 -2.9055 -2.9055 0.4052 0.4052 1.5216 1.5216 3.1223 3.1223 4.6010 4.6010 4.9232 4.9232 6.2734 6.2734 8.8017 8.8017 10.1127 10.1127 11.4302 11.4302 12.1513 12.1513 k = 0.5000 0.2887-0.0000 ( 2834 PWs) bands (ev): -7.6951 -7.6951 -7.6447 -7.6447 -7.6160 -7.6160 -7.5920 -7.5920 -7.2625 -7.2625 -7.1879 -7.1879 -7.1623 -7.1623 -7.1357 -7.1357 -7.1339 -7.1339 -7.1140 -7.1140 -3.8020 -3.8020 -2.9055 -2.9055 0.4052 0.4052 1.5216 1.5216 3.1223 3.1223 4.6010 4.6010 4.9232 4.9232 6.2734 6.2734 8.8017 8.8017 10.1127 10.1127 11.4302 11.4302 12.1513 12.1513 k = 0.4938 0.2994-0.0000 ( 2832 PWs) bands (ev): -7.6954 -7.6948 -7.6474 -7.6420 -7.6162 -7.6158 -7.5921 -7.5920 -7.2663 -7.2588 -7.1896 -7.1861 -7.1627 -7.1618 -7.1361 -7.1353 -7.1339 -7.1339 -7.1144 -7.1137 -3.8010 -3.8009 -2.9054 -2.9054 0.4058 0.4067 1.5213 1.5218 3.1212 3.1244 4.5910 4.5960 4.9219 4.9230 6.2642 6.2643 8.8129 8.8157 10.1240 10.1257 11.4057 11.4197 12.1530 12.1772 k = 0.4877 0.3101-0.0000 ( 2832 PWs) bands (ev): -7.6957 -7.6946 -7.6500 -7.6393 -7.6163 -7.6155 -7.5921 -7.5920 -7.2701 -7.2551 -7.1914 -7.1844 -7.1632 -7.1613 -7.1365 -7.1349 -7.1339 -7.1339 -7.1149 -7.1133 -3.7979 -3.7976 -2.9050 -2.9050 0.4083 0.4101 1.5208 1.5220 3.1212 3.1276 4.5662 4.5763 4.9193 4.9214 6.2371 6.2373 8.8490 8.8546 10.1592 10.1626 11.3520 11.3760 12.1809 12.2249 k = 0.4815 0.3208-0.0000 ( 2836 PWs) bands (ev): -7.6960 -7.6944 -7.6525 -7.6366 -7.6164 -7.6152 -7.5921 -7.5920 -7.2739 -7.2514 -7.1932 -7.1827 -7.1638 -7.1609 -7.1370 -7.1347 -7.1339 -7.1338 -7.1153 -7.1131 -3.7927 -3.7922 -2.9044 -2.9043 0.4129 0.4155 1.5202 1.5219 3.1221 3.1318 4.5276 4.5428 4.9153 4.9185 6.1934 6.1937 8.9092 8.9173 10.2169 10.2222 11.2777 11.3069 12.2278 12.2857 k = 0.4753 0.3314-0.0000 ( 2832 PWs) bands (ev): -7.6963 -7.6942 -7.6550 -7.6338 -7.6165 -7.6148 -7.5921 -7.5919 -7.2777 -7.2478 -7.1949 -7.1810 -7.1643 -7.1605 -7.1374 -7.1345 -7.1339 -7.1336 -7.1158 -7.1128 -3.7853 -3.7847 -2.9035 -2.9035 0.4194 0.4229 1.5194 1.5217 3.1237 3.1368 4.4769 4.4971 4.9099 4.9141 6.1348 6.1352 8.9919 9.0025 10.2952 10.3025 11.1902 11.2210 12.2863 12.3531 k = 0.4691 0.3421-0.0000 ( 2816 PWs) bands (ev): -7.6966 -7.6940 -7.6573 -7.6310 -7.6164 -7.6144 -7.5921 -7.5918 -7.2815 -7.2442 -7.1966 -7.1793 -7.1649 -7.1601 -7.1377 -7.1343 -7.1338 -7.1332 -7.1163 -7.1126 -3.7758 -3.7751 -2.9026 -2.9025 0.4279 0.4323 1.5183 1.5212 3.1257 3.1425 4.4159 4.4414 4.9032 4.9084 6.0635 6.0639 9.0954 9.1084 10.3918 10.4013 11.0945 11.1249 12.3511 12.4229 k = 0.4630 0.3528-0.0000 ( 2824 PWs) bands (ev): -7.6970 -7.6939 -7.6597 -7.6283 -7.6163 -7.6140 -7.5921 -7.5917 -7.2852 -7.2407 -7.1982 -7.1777 -7.1656 -7.1597 -7.1381 -7.1343 -7.1338 -7.1329 -7.1168 -7.1125 -3.7643 -3.7634 -2.9015 -2.9015 0.4384 0.4437 1.5168 1.5202 3.1277 3.1484 4.3472 4.3779 4.8951 4.9012 5.9817 5.9822 9.2177 9.2330 10.5040 10.5157 10.9940 11.0227 12.4195 12.4931 k = 0.4568 0.3635-0.0000 ( 2828 PWs) bands (ev): -7.6973 -7.6938 -7.6619 -7.6256 -7.6161 -7.6135 -7.5921 -7.5917 -7.2889 -7.2373 -7.1999 -7.1762 -7.1662 -7.1594 -7.1385 -7.1342 -7.1338 -7.1326 -7.1174 -7.1124 -3.7506 -3.7497 -2.9006 -2.9005 0.4507 0.4570 1.5147 1.5187 3.1292 3.1541 4.2730 4.3092 4.8854 4.8925 5.8918 5.8923 9.3569 9.3743 10.6290 10.6427 10.8918 10.9176 12.4904 12.5632 k = 0.4506 0.3742-0.0000 ( 2824 PWs) bands (ev): -7.6976 -7.6937 -7.6641 -7.6230 -7.6158 -7.6131 -7.5921 -7.5916 -7.2925 -7.2340 -7.2014 -7.1747 -7.1669 -7.1591 -7.1388 -7.1342 -7.1338 -7.1322 -7.1179 -7.1123 -3.7350 -3.7339 -2.8997 -2.8996 0.4650 0.4722 1.5119 1.5166 3.1294 3.1588 4.1961 4.2379 4.8741 4.8821 5.7960 5.7965 9.5110 9.5305 10.7616 10.7641 10.8076 10.8114 12.5638 12.6334 k = 0.4444 0.3849-0.0000 ( 2822 PWs) bands (ev): -7.6978 -7.6937 -7.6662 -7.6206 -7.6154 -7.6126 -7.5921 -7.5915 -7.2960 -7.2308 -7.2029 -7.1733 -7.1676 -7.1588 -7.1391 -7.1341 -7.1337 -7.1319 -7.1184 -7.1123 -3.7174 -3.7162 -2.8991 -2.8990 0.4811 0.4893 1.5082 1.5135 3.1275 3.1615 4.1193 4.1667 4.8610 4.8699 5.6962 5.6968 9.6782 9.6999 10.6801 10.7058 10.9066 10.9323 12.6404 12.7047 k = 0.4383 0.3956-0.0000 ( 2822 PWs) bands (ev): -7.6981 -7.6937 -7.6682 -7.6185 -7.6146 -7.6122 -7.5921 -7.5913 -7.2995 -7.2276 -7.2043 -7.1720 -7.1684 -7.1586 -7.1393 -7.1340 -7.1337 -7.1315 -7.1189 -7.1124 -3.6978 -3.6965 -2.8990 -2.8988 0.4990 0.5083 1.5033 1.5094 3.1223 3.1611 4.0453 4.0984 4.8459 4.8558 5.5943 5.5950 9.8569 9.8808 10.5794 10.6018 11.0537 11.0833 12.7214 12.7784 k = 0.4321 0.4063-0.0000 ( 2822 PWs) bands (ev): -7.6983 -7.6937 -7.6702 -7.6172 -7.6132 -7.6117 -7.5920 -7.5912 -7.3028 -7.2246 -7.2057 -7.1709 -7.1690 -7.1584 -7.1395 -7.1340 -7.1337 -7.1312 -7.1193 -7.1125 -3.6763 -3.6749 -2.8993 -2.8992 0.5187 0.5291 1.4972 1.5039 3.1127 3.1560 3.9772 4.0357 4.8288 4.8396 5.4918 5.4927 10.0455 10.0719 10.4805 10.5004 11.2028 11.2378 12.8079 12.8560 k = 0.4259 0.4170-0.0000 ( 2826 PWs) bands (ev): -7.6985 -7.6938 -7.6721 -7.6164 -7.6114 -7.6112 -7.5920 -7.5910 -7.3060 -7.2216 -7.2070 -7.1707 -7.1690 -7.1583 -7.1396 -7.1339 -7.1337 -7.1310 -7.1197 -7.1126 -3.6530 -3.6514 -2.9005 -2.9003 0.5401 0.5516 1.4894 1.4969 3.0973 3.1443 3.9181 3.9812 4.8093 4.8211 5.3903 5.3915 10.2425 10.2716 10.3848 10.4026 11.3512 11.3926 12.9016 12.9390 k = 0.4198 0.4277-0.0000 ( 2822 PWs) bands (ev): -7.6986 -7.6938 -7.6739 -7.6158 -7.6110 -7.6091 -7.5920 -7.5908 -7.3091 -7.2188 -7.2082 -7.1714 -7.1681 -7.1582 -7.1397 -7.1338 -7.1336 -7.1308 -7.1200 -7.1128 -3.6279 -3.6262 -2.9025 -2.9023 0.5632 0.5759 1.4798 1.4880 3.0753 3.1246 3.8707 3.9369 4.7874 4.8000 5.2911 5.2925 10.2925 10.3082 10.4474 10.4794 11.4965 11.5452 13.0037 13.0291 k = 0.4136 0.4384-0.0000 ( 2826 PWs) bands (ev): -7.6988 -7.6939 -7.6756 -7.6154 -7.6107 -7.6070 -7.5919 -7.5906 -7.3120 -7.2161 -7.2093 -7.1724 -7.1672 -7.1581 -7.1397 -7.1337 -7.1336 -7.1306 -7.1203 -7.1130 -3.6011 -3.5993 -2.9057 -2.9055 0.5880 0.6019 1.4681 1.4771 3.0463 3.0959 3.8369 3.9043 4.7629 4.7763 5.1953 5.1970 10.2052 10.2191 10.6574 10.6932 11.6362 11.6929 13.1154 13.1274 k = 0.4074 0.4491-0.0000 ( 2830 PWs) bands (ev): -7.6989 -7.6940 -7.6773 -7.6150 -7.6104 -7.6050 -7.5918 -7.5904 -7.3147 -7.2135 -7.2103 -7.1734 -7.1662 -7.1581 -7.1397 -7.1337 -7.1337 -7.1305 -7.1205 -7.1133 -3.5726 -3.5707 -2.9103 -2.9100 0.6144 0.6295 1.4540 1.4638 3.0107 3.0588 3.8171 3.8839 4.7355 4.7497 5.1040 5.1061 10.1227 10.1349 10.8721 10.9124 11.7686 11.8335 13.2349 13.2373 k = 0.4012 0.4597-0.0000 ( 2830 PWs) bands (ev): -7.6989 -7.6941 -7.6789 -7.6146 -7.6102 -7.6031 -7.5917 -7.5902 -7.3173 -7.2117 -7.2105 -7.1745 -7.1654 -7.1582 -7.1396 -7.1337 -7.1336 -7.1305 -7.1205 -7.1135 -3.5426 -3.5406 -2.9164 -2.9160 0.6423 0.6587 1.4373 1.4479 2.9697 3.0146 3.8108 3.8753 4.7052 4.7201 5.0181 5.0207 10.0457 10.0564 11.0898 11.1355 11.8923 11.9652 13.3513 13.3690 k = 0.3951 0.4704-0.0000 ( 2846 PWs) bands (ev): -7.6989 -7.6942 -7.6804 -7.6143 -7.6100 -7.6015 -7.5916 -7.5900 -7.3197 -7.2123 -7.2084 -7.1757 -7.1647 -7.1583 -7.1395 -7.1337 -7.1335 -7.1306 -7.1205 -7.1139 -3.5111 -3.5090 -2.9243 -2.9238 0.6716 0.6894 1.4177 1.4292 2.9252 2.9658 3.8162 3.8774 4.6719 4.6873 4.9384 4.9416 9.9746 9.9838 11.3085 11.3612 12.0068 12.0868 13.4751 13.5093 k = 0.3889 0.4811-0.0000 ( 2840 PWs) bands (ev): -7.6989 -7.6942 -7.6819 -7.6139 -7.6099 -7.6000 -7.5913 -7.5897 -7.3218 -7.2130 -7.2061 -7.1769 -7.1639 -7.1585 -7.1393 -7.1337 -7.1334 -7.1306 -7.1203 -7.1142 -3.4782 -3.4761 -2.9341 -2.9336 0.7025 0.7216 1.3951 1.4075 2.8791 2.9149 3.8314 3.8889 4.6355 4.6515 4.8655 4.8693 9.9096 9.9175 11.5258 11.5877 12.1124 12.1980 13.6017 13.6560 k = 0.3827 0.4918-0.0000 ( 2836 PWs) bands (ev): -7.6987 -7.6942 -7.6832 -7.6135 -7.6098 -7.5987 -7.5910 -7.5895 -7.3237 -7.2136 -7.2039 -7.1781 -7.1633 -7.1586 -7.1391 -7.1337 -7.1333 -7.1308 -7.1201 -7.1145 -3.4441 -3.4419 -2.9463 -2.9456 0.7347 0.7553 1.3693 1.3826 2.8333 2.8642 3.8548 3.9085 4.5964 4.6130 4.7996 4.8041 9.8511 9.8577 11.7382 11.8124 12.2100 12.2988 13.7073 13.8007 k = 0.3765 0.5025-0.0000 ( 2840 PWs) bands (ev): -7.6986 -7.6943 -7.6845 -7.6131 -7.6098 -7.5977 -7.5907 -7.5893 -7.3254 -7.2142 -7.2018 -7.1794 -7.1627 -7.1588 -7.1389 -7.1337 -7.1332 -7.1309 -7.1199 -7.1148 -3.4089 -3.4067 -2.9608 -2.9600 0.7683 0.7905 1.3403 1.3545 2.7896 2.8157 3.8848 3.9349 4.5550 4.5724 4.7409 4.7457 9.7993 9.8047 11.9401 12.0319 12.3017 12.3898 13.7314 13.7927 k = 0.3704 0.5132-0.0000 ( 2838 PWs) bands (ev): -7.6984 -7.6943 -7.6857 -7.6127 -7.6098 -7.5969 -7.5903 -7.5891 -7.3269 -7.2146 -7.1998 -7.1807 -7.1622 -7.1590 -7.1387 -7.1336 -7.1331 -7.1311 -7.1196 -7.1152 -3.3728 -3.3705 -2.9781 -2.9771 0.8033 0.8270 1.3081 1.3232 2.7495 2.7710 3.9203 3.9671 4.5118 4.5303 4.6891 4.6939 9.7543 9.7587 12.1226 12.2408 12.3915 12.4718 13.7271 13.7928 k = 0.3642 0.5239-0.0000 ( 2838 PWs) bands (ev): -7.6981 -7.6944 -7.6868 -7.6124 -7.6099 -7.5963 -7.5899 -7.5889 -7.3282 -7.2150 -7.1978 -7.1821 -7.1618 -7.1592 -7.1385 -7.1336 -7.1330 -7.1313 -7.1192 -7.1156 -3.3358 -3.3335 -2.9982 -2.9970 0.8395 0.8650 1.2729 1.2888 2.7141 2.7313 3.9604 4.0042 4.4671 4.4873 4.6443 4.6486 9.7163 9.7198 12.2725 12.4307 12.4850 12.5453 13.7339 13.8127 k = 0.3580 0.5346-0.0000 ( 2842 PWs) bands (ev): -7.6978 -7.6945 -7.6878 -7.6120 -7.6100 -7.5959 -7.5895 -7.5888 -7.3292 -7.2153 -7.1960 -7.1835 -7.1614 -7.1595 -7.1383 -7.1335 -7.1329 -7.1315 -7.1189 -7.1159 -3.2983 -3.2960 -3.0212 -3.0199 0.8770 0.9044 1.2350 1.2515 2.6843 2.6974 4.0045 4.0457 4.4210 4.4432 4.6066 4.6100 9.6853 9.6879 12.3804 12.5826 12.5900 12.6106 13.7670 13.8611 k = 0.3519 0.5453-0.0000 ( 2838 PWs) bands (ev): -7.6974 -7.6947 -7.6886 -7.6117 -7.6101 -7.5956 -7.5891 -7.5887 -7.3300 -7.2155 -7.1942 -7.1850 -7.1610 -7.1596 -7.1381 -7.1334 -7.1329 -7.1316 -7.1185 -7.1163 -3.2603 -3.2580 -3.0475 -3.0460 0.9156 0.9452 1.1949 1.2116 2.6607 2.6702 4.0518 4.0908 4.3733 4.3974 4.5768 4.5790 9.6613 9.6632 12.4526 12.6674 12.6693 12.7064 13.8378 13.9453 k = 0.3457 0.5560-0.0000 ( 2842 PWs) bands (ev): -7.6970 -7.6949 -7.6892 -7.6114 -7.6103 -7.5954 -7.5889 -7.5886 -7.3305 -7.2157 -7.1925 -7.1864 -7.1608 -7.1599 -7.1380 -7.1333 -7.1329 -7.1318 -7.1181 -7.1167 -3.2220 -3.2198 -3.0769 -3.0752 0.9546 0.9876 1.1536 1.1695 2.6440 2.6500 4.1018 4.1391 4.3236 4.3493 4.5553 4.5565 9.6444 9.6456 12.5002 12.7156 12.7301 12.7734 13.9486 14.0661 k = 0.3395 0.5667-0.0000 ( 2848 PWs) bands (ev): -7.6965 -7.6954 -7.6896 -7.6111 -7.6106 -7.5953 -7.5887 -7.5886 -7.3309 -7.2158 -7.1909 -7.1879 -7.1605 -7.1601 -7.1379 -7.1332 -7.1330 -7.1318 -7.1177 -7.1171 -3.1838 -3.1816 -3.1097 -3.1078 0.9916 1.0310 1.1143 1.1261 2.6344 2.6372 4.1530 4.1901 4.2728 4.2988 4.5424 4.5428 9.6345 9.6350 12.5284 12.7537 12.7630 12.7960 14.0778 14.2119 k = 0.3333 0.5774-0.0000 ( 2844 PWs) bands (ev): -7.6959 -7.6959 -7.6897 -7.6108 -7.6108 -7.5952 -7.5886 -7.5886 -7.3310 -7.2158 -7.1894 -7.1894 -7.1603 -7.1603 -7.1379 -7.1331 -7.1331 -7.1318 -7.1174 -7.1174 -3.1470 -3.1448 -3.1448 -3.1426 1.0124 1.0658 1.0919 1.0919 2.6321 2.6321 4.1904 4.2357 4.2357 4.2532 4.5382 4.5382 9.6313 9.6313 12.5378 12.7743 12.7743 12.7916 14.1412 14.3062 k = 0.3333 0.5774-0.0000 ( 2844 PWs) bands (ev): -7.6959 -7.6959 -7.6897 -7.6108 -7.6108 -7.5952 -7.5886 -7.5886 -7.3310 -7.2158 -7.1894 -7.1894 -7.1603 -7.1603 -7.1379 -7.1331 -7.1331 -7.1318 -7.1174 -7.1174 -3.1470 -3.1448 -3.1448 -3.1426 1.0124 1.0658 1.0919 1.0919 2.6321 2.6321 4.1904 4.2357 4.2357 4.2532 4.5382 4.5382 9.6313 9.6313 12.5378 12.7743 12.7743 12.7916 14.1412 14.3062 k = 0.3272 0.5667-0.0000 ( 2844 PWs) bands (ev): -7.6965 -7.6953 -7.6896 -7.6111 -7.6106 -7.5953 -7.5887 -7.5886 -7.3309 -7.2158 -7.1909 -7.1879 -7.1605 -7.1601 -7.1379 -7.1332 -7.1330 -7.1318 -7.1177 -7.1171 -3.1853 -3.1829 -3.1085 -3.1064 0.9902 1.0306 1.1138 1.1290 2.6345 2.6371 4.1512 4.1877 4.2749 4.3008 4.5425 4.5426 9.6344 9.6349 12.5284 12.7460 12.7709 12.8004 14.1049 14.2351 k = 0.3210 0.5560-0.0000 ( 2844 PWs) bands (ev): -7.6972 -7.6946 -7.6893 -7.6114 -7.6103 -7.5954 -7.5888 -7.5887 -7.3305 -7.2157 -7.1924 -7.1866 -7.1607 -7.1599 -7.1380 -7.1334 -7.1329 -7.1318 -7.1180 -7.1168 -3.2281 -3.2254 -3.0719 -3.0699 0.9488 0.9849 1.1571 1.1786 2.6445 2.6494 4.0939 4.1299 4.3318 4.3575 4.5555 4.5556 9.6441 9.6450 12.5015 12.6963 12.7571 12.8016 14.0221 14.1072 k = 0.3148 0.5453-0.0000 ( 2844 PWs) bands (ev): -7.6980 -7.6938 -7.6888 -7.6117 -7.6101 -7.5956 -7.5889 -7.5888 -7.3300 -7.2156 -7.1939 -7.1852 -7.1608 -7.1598 -7.1381 -7.1335 -7.1328 -7.1318 -7.1183 -7.1165 -3.2740 -3.2711 -3.0365 -3.0346 0.9038 0.9392 1.2070 1.2312 2.6619 2.6689 4.0338 4.0703 4.3910 4.4151 4.5769 4.5776 9.6602 9.6614 12.4595 12.6357 12.7341 12.7887 13.9069 13.9691 k = 0.3086 0.5346-0.0000 ( 2836 PWs) bands (ev): -7.6987 -7.6930 -7.6883 -7.6120 -7.6099 -7.5959 -7.5891 -7.5890 -7.3294 -7.2154 -7.1954 -7.1839 -7.1610 -7.1597 -7.1383 -7.1336 -7.1327 -7.1318 -7.1186 -7.1163 -3.3230 -3.3199 -3.0025 -3.0008 0.8586 0.8943 1.2610 1.2867 2.6866 2.6954 3.9721 4.0094 4.4507 4.4726 4.6067 4.6088 9.6825 9.6840 12.4060 12.5676 12.7015 12.7612 13.7777 13.8305 k = 0.3025 0.5239-0.0000 ( 2842 PWs) bands (ev): -7.6994 -7.6922 -7.6876 -7.6124 -7.6098 -7.5964 -7.5894 -7.5891 -7.3285 -7.2152 -7.1969 -7.1827 -7.1612 -7.1596 -7.1385 -7.1338 -7.1326 -7.1318 -7.1188 -7.1161 -3.3749 -3.3716 -2.9704 -2.9688 0.8145 0.8511 1.3185 1.3450 2.7181 2.7285 3.9096 3.9477 4.5101 4.5289 4.6453 4.6494 9.7107 9.7123 12.3439 12.4942 12.6591 12.7200 13.6446 13.6931 k = 0.2963 0.5132-0.0000 ( 2842 PWs) bands (ev): -7.7001 -7.6913 -7.6869 -7.6128 -7.6097 -7.5970 -7.5896 -7.5892 -7.3276 -7.2150 -7.1984 -7.1816 -7.1613 -7.1595 -7.1387 -7.1339 -7.1326 -7.1318 -7.1191 -7.1160 -3.4295 -3.4260 -2.9404 -2.9390 0.7725 0.8103 1.3795 1.4064 2.7561 2.7680 3.8467 3.8857 4.5684 4.5838 4.6926 4.6993 9.7445 9.7463 12.2755 12.4172 12.6073 12.6669 13.5112 13.5579 k = 0.2901 0.5025-0.0000 ( 2844 PWs) bands (ev): -7.7007 -7.6903 -7.6860 -7.6132 -7.6096 -7.5977 -7.5900 -7.5894 -7.3264 -7.2148 -7.1998 -7.1805 -7.1615 -7.1594 -7.1390 -7.1340 -7.1326 -7.1319 -7.1193 -7.1159 -3.4866 -3.4829 -2.9129 -2.9116 0.7332 0.7723 1.4441 1.4712 2.8004 2.8135 3.7839 3.8237 4.6259 4.6379 4.7480 4.7571 9.7838 9.7856 12.2026 12.3374 12.5471 12.6038 13.3791 13.4250 k = 0.2840 0.4918-0.0000 ( 2836 PWs) bands (ev): -7.7013 -7.6893 -7.6850 -7.6136 -7.6095 -7.5985 -7.5903 -7.5894 -7.3251 -7.2145 -7.2012 -7.1794 -7.1616 -7.1593 -7.1393 -7.1340 -7.1326 -7.1320 -7.1195 -7.1158 -3.5461 -3.5421 -2.8882 -2.8872 0.6973 0.7377 1.5123 1.5393 2.8505 2.8647 3.7215 3.7622 4.6833 4.6925 4.8100 4.8211 9.8281 9.8299 12.1265 12.2557 12.4800 12.5331 13.2489 13.2947 k = 0.2778 0.4811-0.0000 ( 2840 PWs) bands (ev): -7.7019 -7.6882 -7.6840 -7.6140 -7.6095 -7.5994 -7.5907 -7.5895 -7.3238 -7.2142 -7.2026 -7.1784 -7.1617 -7.1592 -7.1396 -7.1341 -7.1327 -7.1321 -7.1197 -7.1158 -3.6076 -3.6035 -2.8668 -2.8658 0.6652 0.7070 1.5842 1.6111 2.9061 2.9213 3.6601 3.7016 4.7418 4.7489 4.8772 4.8895 9.8771 9.8790 12.0481 12.1728 12.4073 12.4568 13.1210 13.1670 k = 0.2716 0.4704-0.0000 ( 2842 PWs) bands (ev): -7.7024 -7.6870 -7.6829 -7.6145 -7.6094 -7.6005 -7.5911 -7.5894 -7.3223 -7.2139 -7.2040 -7.1775 -7.1618 -7.1592 -7.1400 -7.1342 -7.1328 -7.1322 -7.1198 -7.1158 -3.6709 -3.6666 -2.8488 -2.8480 0.6373 0.6807 1.6599 1.6865 2.9667 2.9828 3.6000 3.6422 4.8021 4.8079 4.9481 4.9611 9.9306 9.9323 11.9682 12.0891 12.3305 12.3767 12.9955 13.0421 k = 0.2654 0.4597-0.0000 ( 2842 PWs) bands (ev): -7.7029 -7.6858 -7.6817 -7.6149 -7.6095 -7.6016 -7.5915 -7.5894 -7.3207 -7.2136 -7.2053 -7.1766 -7.1619 -7.1591 -7.1404 -7.1342 -7.1329 -7.1324 -7.1199 -7.1159 -3.7357 -3.7314 -2.8345 -2.8338 0.6140 0.6589 1.7396 1.7657 3.0318 3.0491 3.5419 3.5845 4.8649 4.8697 5.0218 5.0351 9.9881 9.9897 11.8873 12.0050 12.2511 12.2942 12.8727 12.9199 k = 0.2593 0.4491-0.0000 ( 2852 PWs) bands (ev): -7.7033 -7.6846 -7.6805 -7.6154 -7.6095 -7.6029 -7.5920 -7.5894 -7.3191 -7.2133 -7.2067 -7.1758 -7.1621 -7.1590 -7.1408 -7.1343 -7.1331 -7.1326 -7.1201 -7.1160 -3.8019 -3.7975 -2.8241 -2.8236 0.5955 0.6419 1.8231 1.8487 3.1009 3.1197 3.4865 3.5291 4.9303 4.9344 5.0977 5.1111 10.0493 10.0506 11.8061 11.9209 12.1700 12.2107 12.7526 12.8006 k = 0.2531 0.4384-0.0000 ( 2860 PWs) bands (ev): -7.7037 -7.6833 -7.6791 -7.6158 -7.6096 -7.6042 -7.5925 -7.5894 -7.3174 -7.2130 -7.2079 -7.1750 -7.1623 -7.1589 -7.1412 -7.1344 -7.1333 -7.1328 -7.1202 -7.1162 -3.8692 -3.8647 -2.8178 -2.8174 0.5818 0.6297 1.9106 1.9356 3.1729 3.1943 3.4349 3.4762 4.9984 5.0020 5.1753 5.1885 10.1136 10.1146 11.7249 11.8371 12.0885 12.1272 12.6353 12.6842 k = 0.2469 0.4277-0.0000 ( 2844 PWs) bands (ev): -7.7039 -7.6819 -7.6777 -7.6162 -7.6097 -7.6054 -7.5930 -7.5893 -7.3156 -7.2127 -7.2091 -7.1743 -7.1624 -7.1588 -7.1417 -7.1344 -7.1335 -7.1331 -7.1202 -7.1163 -3.9373 -3.9327 -2.8157 -2.8153 0.5731 0.6224 2.0019 2.0263 3.2443 3.2727 3.3909 3.4265 5.0691 5.0723 5.2543 5.2673 10.1804 10.1811 11.6441 11.7539 12.0073 12.0448 12.5208 12.5707 k = 0.2407 0.4170-0.0000 ( 2844 PWs) bands (ev): -7.7041 -7.6805 -7.6761 -7.6167 -7.6098 -7.6067 -7.5935 -7.5892 -7.3137 -7.2123 -7.2102 -7.1735 -7.1626 -7.1587 -7.1422 -7.1345 -7.1337 -7.1334 -7.1203 -7.1165 -4.0060 -4.0014 -2.8178 -2.8173 0.5690 0.6198 2.0972 2.1210 3.2909 3.3542 3.3791 3.3809 5.1422 5.1452 5.3343 5.3471 10.2492 10.2494 11.5639 11.6715 11.9275 11.9642 12.4092 12.4600 k = 0.2346 0.4063-0.0000 ( 2840 PWs) bands (ev): -7.7042 -7.6791 -7.6746 -7.6171 -7.6100 -7.6080 -7.5940 -7.5892 -7.3118 -7.2120 -7.2113 -7.1729 -7.1627 -7.1585 -7.1427 -7.1346 -7.1339 -7.1337 -7.1204 -7.1167 -4.0751 -4.0705 -2.8240 -2.8235 0.5694 0.6215 2.1964 2.2194 3.2736 3.3383 3.4385 3.4399 5.2176 5.2205 5.4153 5.4277 10.3187 10.3190 11.4848 11.5901 11.8501 11.8866 12.3004 12.3523 k = 0.2284 0.3956-0.0000 ( 2824 PWs) bands (ev): -7.7043 -7.6775 -7.6729 -7.6175 -7.6102 -7.6092 -7.5946 -7.5892 -7.3098 -7.2123 -7.2116 -7.1723 -7.1629 -7.1584 -7.1432 -7.1347 -7.1342 -7.1339 -7.1205 -7.1168 -4.1444 -4.1397 -2.8343 -2.8336 0.5739 0.6271 2.2994 2.3217 3.2408 3.3012 3.5212 3.5278 5.2950 5.2979 5.4969 5.5089 10.3880 10.3888 11.4070 11.5098 11.7760 11.8131 12.1946 12.2476 k = 0.2222 0.3849-0.0000 ( 2820 PWs) bands (ev): -7.7043 -7.6760 -7.6712 -7.6180 -7.6110 -7.6100 -7.5951 -7.5892 -7.3078 -7.2132 -7.2112 -7.1717 -7.1631 -7.1582 -7.1437 -7.1349 -7.1344 -7.1342 -7.1205 -7.1171 -4.2136 -4.2090 -2.8483 -2.8475 0.5818 0.6361 2.4062 2.4277 3.2101 3.2694 3.6100 3.6186 5.3743 5.3772 5.5791 5.5907 10.4557 10.4570 11.3308 11.4309 11.7067 11.7448 12.0917 12.1458 k = 0.2160 0.3742-0.0000 ( 2816 PWs) bands (ev): -7.7042 -7.6744 -7.6694 -7.6184 -7.6122 -7.6103 -7.5957 -7.5892 -7.3058 -7.2141 -7.2108 -7.1713 -7.1633 -7.1580 -7.1443 -7.1352 -7.1347 -7.1345 -7.1205 -7.1173 -4.2827 -4.2781 -2.8659 -2.8649 0.5927 0.6479 2.5167 2.5373 3.1843 3.2434 3.7024 3.7118 5.4552 5.4582 5.6616 5.6727 10.5201 10.5216 11.2564 11.3535 11.6439 11.6837 11.9917 12.0470 k = 0.2099 0.3635-0.0000 ( 2820 PWs) bands (ev): -7.7041 -7.6728 -7.6676 -7.6188 -7.6135 -7.6106 -7.5963 -7.5894 -7.3038 -7.2149 -7.2105 -7.1709 -7.1636 -7.1579 -7.1449 -7.1356 -7.1350 -7.1347 -7.1206 -7.1175 -4.3513 -4.3467 -2.8869 -2.8856 0.6058 0.6616 2.6308 2.6506 3.1648 3.2241 3.7975 3.8071 5.5374 5.5406 5.7444 5.7550 10.5786 10.5798 11.1843 11.2777 11.5898 11.6317 11.8948 11.9512 k = 0.2037 0.3528-0.0000 ( 2818 PWs) bands (ev): -7.7039 -7.6712 -7.6657 -7.6192 -7.6147 -7.6108 -7.5969 -7.5895 -7.3018 -7.2156 -7.2101 -7.1706 -7.1638 -7.1576 -7.1455 -7.1360 -7.1352 -7.1349 -7.1206 -7.1177 -4.4193 -4.4149 -2.9108 -2.9093 0.6204 0.6767 2.7484 2.7674 3.1525 3.2118 3.8948 3.9045 5.6208 5.6241 5.8272 5.8373 10.6281 10.6282 11.1147 11.2035 11.5477 11.5917 11.8010 11.8586 k = 0.1975 0.3421-0.0000 ( 2816 PWs) bands (ev): -7.7037 -7.6696 -7.6639 -7.6197 -7.6160 -7.6111 -7.5975 -7.5897 -7.2997 -7.2162 -7.2097 -7.1704 -7.1640 -7.1574 -7.1460 -7.1365 -7.1355 -7.1351 -7.1207 -7.1179 -4.4867 -4.4823 -2.9374 -2.9356 0.6357 0.6922 2.8696 2.8876 3.1481 3.2073 3.9940 4.0036 5.7049 5.7086 5.9100 5.9195 10.6622 10.6655 11.0479 11.1312 11.5209 11.5664 11.7105 11.7693 k = 0.1914 0.3314-0.0000 ( 2824 PWs) bands (ev): -7.7034 -7.6680 -7.6619 -7.6201 -7.6172 -7.6113 -7.5982 -7.5900 -7.2977 -7.2167 -7.2094 -7.1703 -7.1643 -7.1572 -7.1466 -7.1371 -7.1358 -7.1354 -7.1208 -7.1182 -4.5532 -4.5489 -2.9663 -2.9642 0.6509 0.7073 2.9941 3.0108 3.1525 3.2111 4.0948 4.1041 5.7896 5.7937 5.9925 6.0014 10.6785 10.6873 10.9840 11.0606 11.5123 11.5574 11.6245 11.6836 k = 0.1852 0.3208-0.0000 ( 2816 PWs) bands (ev): -7.7029 -7.6663 -7.6600 -7.6205 -7.6184 -7.6116 -7.5988 -7.5902 -7.2956 -7.2171 -7.2090 -7.1703 -7.1645 -7.1569 -7.1471 -7.1376 -7.1361 -7.1356 -7.1208 -7.1183 -4.6186 -4.6145 -2.9971 -2.9947 0.6655 0.7214 3.1219 3.1335 3.1697 3.2237 4.1969 4.2059 5.8745 5.8791 6.0748 6.0830 10.6752 10.6920 10.9228 10.9919 11.5210 11.5316 11.5769 11.6036 k = 0.1790 0.3101-0.0000 ( 2816 PWs) bands (ev): -7.7024 -7.6647 -7.6580 -7.6208 -7.6195 -7.6119 -7.5995 -7.5906 -7.2935 -7.2174 -7.2086 -7.1704 -7.1648 -7.1566 -7.1477 -7.1382 -7.1363 -7.1359 -7.1208 -7.1185 -4.6830 -4.6790 -3.0296 -3.0269 0.6786 0.7338 3.1845 3.2447 3.2537 3.2712 4.3001 4.3086 5.9594 5.9645 6.1567 6.1641 10.6541 10.6803 10.8635 10.9249 11.4541 11.5077 11.5671 11.6014 k = 0.1728 0.2994-0.0000 ( 2816 PWs) bands (ev): -7.7019 -7.6631 -7.6560 -7.6212 -7.6206 -7.6123 -7.6001 -7.5911 -7.2914 -7.2176 -7.2083 -7.1705 -7.1650 -7.1563 -7.1482 -7.1387 -7.1366 -7.1363 -7.1208 -7.1186 -4.7460 -4.7422 -3.0634 -3.0603 0.6898 0.7439 3.2177 3.2766 3.3871 3.4034 4.4040 4.4120 6.0439 6.0496 6.2381 6.2447 10.6191 10.6546 10.8051 10.8596 11.3771 11.4377 11.6049 11.6425 k = 0.1667 0.2887-0.0000 ( 2816 PWs) bands (ev): -7.7012 -7.6615 -7.6540 -7.6216 -7.6216 -7.6126 -7.6008 -7.5916 -7.2893 -7.2177 -7.2079 -7.1708 -7.1653 -7.1560 -7.1486 -7.1393 -7.1369 -7.1366 -7.1207 -7.1187 -4.8078 -4.8041 -3.0981 -3.0948 0.6987 0.7513 3.2600 3.3176 3.5241 3.5393 4.5085 4.5159 6.1276 6.1340 6.3189 6.3246 10.5747 10.6178 10.7468 10.7959 11.3033 11.3657 11.6573 11.6932 k = 0.1605 0.2780-0.0000 ( 2810 PWs) bands (ev): -7.7005 -7.6599 -7.6520 -7.6225 -7.6219 -7.6129 -7.6015 -7.5922 -7.2873 -7.2177 -7.2075 -7.1712 -7.1656 -7.1556 -7.1490 -7.1399 -7.1372 -7.1370 -7.1207 -7.1188 -4.8680 -4.8646 -3.1335 -3.1299 0.7050 0.7559 3.3121 3.3682 3.6640 3.6782 4.6131 4.6199 6.2103 6.2174 6.3990 6.4038 10.5244 10.5731 10.6880 10.7335 11.2333 11.2968 11.7151 11.7486 k = 0.1543 0.2673-0.0000 ( 2810 PWs) bands (ev): -7.6997 -7.6583 -7.6500 -7.6234 -7.6222 -7.6133 -7.6021 -7.5928 -7.2852 -7.2175 -7.2072 -7.1717 -7.1659 -7.1553 -7.1492 -7.1405 -7.1375 -7.1375 -7.1206 -7.1189 -4.9268 -4.9235 -3.1693 -3.1654 0.7085 0.7574 3.3739 3.4284 3.8067 3.8199 4.7178 4.7238 6.2916 6.2995 6.4783 6.4821 10.4703 10.5225 10.6286 10.6721 11.1674 11.2315 11.7734 11.8048 k = 0.1481 0.2566-0.0000 ( 2802 PWs) bands (ev): -7.6989 -7.6568 -7.6480 -7.6242 -7.6225 -7.6136 -7.6028 -7.5936 -7.2831 -7.2173 -7.2068 -7.1722 -7.1662 -7.1549 -7.1494 -7.1411 -7.1379 -7.1378 -7.1205 -7.1189 -4.9838 -4.9807 -3.2053 -3.2011 0.7093 0.7560 3.4452 3.4980 3.9518 3.9641 4.8220 4.8273 6.3711 6.3799 6.5568 6.5596 10.4139 10.4676 10.5687 10.6114 11.1060 11.1702 11.8286 11.8578 k = 0.1420 0.2459-0.0000 ( 2810 PWs) bands (ev): -7.6980 -7.6554 -7.6461 -7.6250 -7.6228 -7.6140 -7.6035 -7.5944 -7.2810 -7.2169 -7.2065 -7.1729 -7.1666 -7.1546 -7.1496 -7.1417 -7.1384 -7.1381 -7.1204 -7.1189 -5.0392 -5.0363 -3.2411 -3.2367 0.7073 0.7518 3.5257 3.5766 4.0994 4.1107 4.9257 4.9302 6.4486 6.4582 6.6343 6.6361 10.3558 10.4095 10.5083 10.5510 11.0494 11.1133 11.8770 11.9041 k = 0.1358 0.2352-0.0000 ( 2816 PWs) bands (ev): -7.6970 -7.6541 -7.6442 -7.6256 -7.6231 -7.6144 -7.6042 -7.5953 -7.2789 -7.2165 -7.2062 -7.1737 -7.1671 -7.1542 -7.1497 -7.1423 -7.1389 -7.1384 -7.1203 -7.1189 -5.0927 -5.0900 -3.2766 -3.2721 0.7029 0.7450 3.6149 3.6639 4.2492 4.2595 5.0285 5.0321 6.5239 6.5341 6.7107 6.7115 10.2960 10.3488 10.4474 10.4904 10.9980 11.0611 11.9155 11.9405 k = 0.1296 0.2245-0.0000 ( 2816 PWs) bands (ev): -7.6959 -7.6528 -7.6423 -7.6262 -7.6233 -7.6148 -7.6049 -7.5963 -7.2768 -7.2159 -7.2058 -7.1746 -7.1675 -7.1538 -7.1496 -7.1429 -7.1394 -7.1387 -7.1201 -7.1188 -5.1444 -5.1419 -3.3116 -3.3069 0.6962 0.7358 3.7122 3.7593 4.4009 4.4101 5.1302 5.1328 6.5967 6.6074 6.7857 6.7858 10.2346 10.2855 10.3858 10.4292 10.9522 11.0138 11.9413 11.9640 k = 0.1235 0.2138-0.0000 ( 2818 PWs) bands (ev): -7.6948 -7.6516 -7.6404 -7.6267 -7.6235 -7.6152 -7.6056 -7.5974 -7.2746 -7.2152 -7.2055 -7.1757 -7.1678 -7.1535 -7.1495 -7.1435 -7.1400 -7.1391 -7.1200 -7.1187 -5.1941 -5.1918 -3.3459 -3.3411 0.6876 0.7247 3.8171 3.8623 4.5542 4.5623 5.2306 5.2322 6.6668 6.6779 6.8585 6.8594 10.1711 10.2198 10.3232 10.3668 10.9123 10.9720 11.9518 11.9722 k = 0.1173 0.2031-0.0000 ( 2814 PWs) bands (ev): -7.6935 -7.6505 -7.6387 -7.6270 -7.6237 -7.6155 -7.6063 -7.5985 -7.2724 -7.2145 -7.2052 -7.1769 -7.1681 -7.1531 -7.1493 -7.1440 -7.1405 -7.1395 -7.1197 -7.1186 -5.2418 -5.2398 -3.3794 -3.3744 0.6773 0.7120 3.9290 3.9723 4.7088 4.7156 5.3296 5.3301 6.7341 6.7454 6.9296 6.9312 10.1052 10.1513 10.2595 10.3028 10.8785 10.9357 11.9455 11.9636 k = 0.1111 0.1925-0.0000 ( 2818 PWs) bands (ev): -7.6922 -7.6496 -7.6370 -7.6273 -7.6239 -7.6160 -7.6071 -7.5997 -7.2702 -7.2137 -7.2049 -7.1783 -7.1684 -7.1528 -7.1491 -7.1446 -7.1410 -7.1398 -7.1195 -7.1185 -5.2875 -5.2856 -3.4118 -3.4068 0.6657 0.6980 4.0473 4.0888 4.8639 4.8693 5.4267 5.4274 6.7986 6.8097 6.9988 7.0009 10.0361 10.0796 10.1943 10.2366 10.8510 10.9053 11.9221 11.9378 k = 0.1049 0.1818-0.0000 ( 2816 PWs) bands (ev): -7.6908 -7.6488 -7.6353 -7.6275 -7.6241 -7.6164 -7.6077 -7.6010 -7.2679 -7.2128 -7.2045 -7.1798 -7.1685 -7.1525 -7.1488 -7.1450 -7.1415 -7.1402 -7.1192 -7.1183 -5.3310 -5.3294 -3.4431 -3.4380 0.6531 0.6830 4.1714 4.2112 5.0188 5.0227 5.5222 5.5242 6.8601 6.8708 7.0658 7.0683 9.9633 10.0043 10.1271 10.1680 10.8299 10.8809 11.8823 11.8957 k = 0.0988 0.1711-0.0000 ( 2816 PWs) bands (ev): -7.6894 -7.6482 -7.6338 -7.6275 -7.6242 -7.6168 -7.6084 -7.6022 -7.2657 -7.2119 -7.2042 -7.1814 -7.1686 -7.1523 -7.1485 -7.1455 -7.1420 -7.1405 -7.1189 -7.1181 -5.3724 -5.3709 -3.4730 -3.4680 0.6397 0.6674 4.3006 4.3388 5.1721 5.1744 5.6175 5.6208 6.9188 6.9286 7.1304 7.1331 9.8860 9.9246 10.0576 10.0964 10.8150 10.8627 11.8283 11.8396 k = 0.0926 0.1604-0.0000 ( 2811 PWs) bands (ev): -7.6879 -7.6477 -7.6323 -7.6274 -7.6243 -7.6171 -7.6091 -7.6035 -7.2633 -7.2109 -7.2038 -7.1832 -7.1686 -7.1522 -7.1481 -7.1458 -7.1424 -7.1409 -7.1186 -7.1179 -5.4115 -5.4102 -3.5017 -3.4967 0.6260 0.6515 4.4343 4.4709 5.3216 5.3222 5.7142 5.7187 6.9746 6.9831 7.1922 7.1950 9.8035 9.8400 9.9852 10.0214 10.8064 10.8506 11.7630 11.7724 k = 0.0864 0.1497-0.0000 ( 2807 PWs) bands (ev): -7.6863 -7.6473 -7.6309 -7.6273 -7.6243 -7.6175 -7.6098 -7.6048 -7.2609 -7.2099 -7.2035 -7.1851 -7.1686 -7.1523 -7.1478 -7.1460 -7.1428 -7.1412 -7.1183 -7.1177 -5.4484 -5.4473 -3.5288 -3.5239 0.6121 0.6355 4.5718 4.6070 5.4628 5.4640 5.8151 5.8207 7.0275 7.0344 7.2509 7.2536 9.7153 9.7498 9.9095 9.9427 10.8036 10.8445 11.6899 11.6976 k = 0.0802 0.1390-0.0000 ( 2811 PWs) bands (ev): -7.6846 -7.6472 -7.6297 -7.6270 -7.6244 -7.6180 -7.6104 -7.6061 -7.2584 -7.2090 -7.2032 -7.1872 -7.1684 -7.1525 -7.1474 -7.1461 -7.1430 -7.1415 -7.1180 -7.1175 -5.4829 -5.4820 -3.5543 -3.5497 0.5983 0.6196 4.7125 4.7462 5.5921 5.5945 5.9243 5.9303 7.0775 7.0823 7.3063 7.3089 9.6207 9.6536 9.8301 9.8598 10.8063 10.8440 11.6126 11.6189 k = 0.0741 0.1283-0.0000 ( 2815 PWs) bands (ev): -7.6830 -7.6473 -7.6285 -7.6267 -7.6244 -7.6184 -7.6110 -7.6074 -7.2559 -7.2081 -7.2028 -7.1894 -7.1683 -7.1529 -7.1471 -7.1462 -7.1433 -7.1419 -7.1177 -7.1173 -5.5151 -5.5143 -3.5783 -3.5738 0.5848 0.6042 4.8554 4.8879 5.7059 5.7086 6.0459 6.0510 7.1249 7.1270 7.3582 7.3605 9.5198 9.5511 9.7465 9.7724 10.8142 10.8489 11.5344 11.5397 k = 0.0679 0.1176-0.0000 ( 2819 PWs) bands (ev): -7.6812 -7.6475 -7.6275 -7.6264 -7.6244 -7.6188 -7.6116 -7.6087 -7.2533 -7.2072 -7.2025 -7.1917 -7.1680 -7.1534 -7.1467 -7.1462 -7.1434 -7.1421 -7.1174 -7.1171 -5.5448 -5.5442 -3.6005 -3.5962 0.5718 0.5893 4.9997 5.0310 5.8028 5.8049 6.1806 6.1835 7.1684 7.1696 7.4064 7.4082 9.4126 9.4425 9.6583 9.6802 10.8265 10.8585 11.4582 11.4628 k = 0.0617 0.1069-0.0000 ( 2819 PWs) bands (ev): -7.6794 -7.6479 -7.6266 -7.6261 -7.6244 -7.6192 -7.6122 -7.6098 -7.2507 -7.2063 -7.2022 -7.1941 -7.1677 -7.1540 -7.1464 -7.1462 -7.1434 -7.1424 -7.1171 -7.1169 -5.5721 -5.5717 -3.6209 -3.6169 0.5595 0.5751 5.1444 5.1745 5.8846 5.8855 6.3252 6.3256 7.2065 7.2119 7.4508 7.4520 9.2999 9.3283 9.5652 9.5831 10.8426 10.8721 11.3863 11.3905 k = 0.0556 0.0962-0.0000 ( 2819 PWs) bands (ev): -7.6776 -7.6484 -7.6259 -7.6257 -7.6243 -7.6195 -7.6127 -7.6109 -7.2480 -7.2054 -7.2020 -7.1965 -7.1673 -7.1547 -7.1462 -7.1462 -7.1434 -7.1425 -7.1169 -7.1167 -5.5970 -5.5966 -3.6395 -3.6358 0.5480 0.5619 5.2882 5.3171 5.9538 5.9541 6.4723 6.4768 7.2417 7.2522 7.4912 7.4917 9.1827 9.2096 9.4671 9.4810 10.8616 10.8888 11.3206 11.3246 k = 0.0494 0.0855-0.0000 ( 2823 PWs) bands (ev): -7.6757 -7.6491 -7.6254 -7.6253 -7.6242 -7.6199 -7.6132 -7.6119 -7.2452 -7.2047 -7.2017 -7.1991 -7.1669 -7.1555 -7.1462 -7.1460 -7.1433 -7.1426 -7.1166 -7.1165 -5.6193 -5.6190 -3.6563 -3.6529 0.5375 0.5497 5.4294 5.4571 6.0125 6.0140 6.6206 6.6303 7.2741 7.2912 7.5271 7.5276 9.0626 9.0879 9.3642 9.3742 10.8824 10.9074 11.2622 11.2662 k = 0.0432 0.0748-0.0000 ( 2825 PWs) bands (ev): -7.6737 -7.6500 -7.6251 -7.6249 -7.6239 -7.6203 -7.6136 -7.6127 -7.2424 -7.2040 -7.2020 -7.2012 -7.1665 -7.1563 -7.1462 -7.1458 -7.1431 -7.1427 -7.1164 -7.1163 -5.6391 -5.6389 -3.6711 -3.6681 0.5280 0.5385 5.5661 5.5924 6.0638 6.0663 6.7664 6.7827 7.3045 7.3299 7.5584 7.5599 8.9419 8.9654 9.2569 9.2632 10.9036 10.9266 11.2121 11.2162 k = 0.0370 0.0642-0.0000 ( 2825 PWs) bands (ev): -7.6718 -7.6510 -7.6248 -7.6247 -7.6236 -7.6206 -7.6140 -7.6134 -7.2396 -7.2046 -7.2033 -7.2012 -7.1659 -7.1571 -7.1463 -7.1458 -7.1429 -7.1426 -7.1162 -7.1161 -5.6563 -5.6562 -3.6840 -3.6813 0.5197 0.5286 5.6953 5.7201 6.1093 6.1126 6.9047 6.9296 7.3345 7.3707 7.5853 7.5883 8.8234 8.8448 9.1463 9.1491 10.9238 10.9445 11.1711 11.1752 k = 0.0309 0.0535-0.0000 ( 2821 PWs) bands (ev): -7.6698 -7.6522 -7.6246 -7.6245 -7.6232 -7.6209 -7.6143 -7.6139 -7.2367 -7.2073 -7.2027 -7.2010 -7.1654 -7.1579 -7.1463 -7.1458 -7.1427 -7.1425 -7.1159 -7.1159 -5.6709 -5.6708 -3.6949 -3.6926 0.5126 0.5200 5.8133 5.8360 6.1508 6.1545 7.0292 7.0644 7.3681 7.4170 7.6082 7.6130 8.7105 8.7295 9.0339 9.0340 10.9410 10.9591 11.1401 11.1439 k = 0.0247 0.0428-0.0000 ( 2817 PWs) bands (ev): -7.6678 -7.6535 -7.6244 -7.6244 -7.6230 -7.6212 -7.6145 -7.6143 -7.2337 -7.2101 -7.2022 -7.2009 -7.1647 -7.1587 -7.1463 -7.1458 -7.1425 -7.1424 -7.1158 -7.1157 -5.6829 -5.6828 -3.7038 -3.7020 0.5069 0.5128 5.9152 5.9349 6.1903 6.1939 7.1314 7.1746 7.4136 7.4733 7.6273 7.6344 8.6076 8.6237 8.9205 8.9231 10.9538 10.9685 11.1195 11.1225 k = 0.0185 0.0321-0.0000 ( 2809 PWs) bands (ev): -7.6658 -7.6550 -7.6243 -7.6243 -7.6227 -7.6215 -7.6147 -7.6146 -7.2308 -7.2130 -7.2018 -7.2008 -7.1641 -7.1595 -7.1462 -7.1459 -7.1423 -7.1423 -7.1156 -7.1156 -5.6922 -5.6922 -3.7107 -3.7093 0.5025 0.5069 5.9957 6.0110 6.2294 6.2319 7.2052 7.2457 7.4792 7.5388 7.6441 7.6539 8.5196 8.5324 8.8141 8.8183 10.9612 10.9720 11.1086 11.1104 k = 0.0123 0.0214-0.0000 ( 2799 PWs) bands (ev): -7.6638 -7.6566 -7.6242 -7.6242 -7.6225 -7.6217 -7.6148 -7.6147 -7.2278 -7.2159 -7.2014 -7.2008 -7.1634 -7.1603 -7.1462 -7.1459 -7.1422 -7.1422 -7.1155 -7.1155 -5.6989 -5.6989 -3.7156 -3.7146 0.4996 0.5025 6.0513 6.0613 6.2660 6.2671 7.2523 7.2806 7.5514 7.5971 7.6650 7.6744 8.4519 8.4608 8.7229 8.7274 10.9644 10.9712 11.1047 11.1054 k = 0.0062 0.0107-0.0000 ( 2803 PWs) bands (ev): -7.6619 -7.6583 -7.6242 -7.6242 -7.6223 -7.6219 -7.6149 -7.6149 -7.2248 -7.2188 -7.2012 -7.2009 -7.1627 -7.1612 -7.1462 -7.1460 -7.1422 -7.1422 -7.1154 -7.1154 -5.7029 -5.7029 -3.7184 -3.7179 0.4981 0.4996 6.0831 6.0879 6.2931 6.2933 7.2795 7.2935 7.6019 7.6228 7.6961 7.6983 8.4096 8.4142 8.6593 8.6624 10.9655 10.9687 11.1041 11.1042 k = 0.0000 0.0000 0.0000 ( 2803 PWs) bands (ev): -7.6600 -7.6600 -7.6242 -7.6242 -7.6221 -7.6221 -7.6149 -7.6149 -7.2218 -7.2218 -7.2010 -7.2010 -7.1619 -7.1619 -7.1461 -7.1461 -7.1421 -7.1421 -7.1154 -7.1154 -5.7043 -5.7043 -3.7192 -3.7192 0.4981 0.4981 6.0947 6.0947 6.3032 6.3032 7.2926 7.2926 7.6227 7.6227 7.7116 7.7116 8.3966 8.3966 8.6371 8.6371 10.9666 10.9666 11.1042 11.1042 k = 0.0000 0.0000 0.0000 ( 2803 PWs) bands (ev): -7.6600 -7.6600 -7.6242 -7.6242 -7.6221 -7.6221 -7.6149 -7.6149 -7.2218 -7.2218 -7.2010 -7.2010 -7.1619 -7.1619 -7.1461 -7.1461 -7.1421 -7.1421 -7.1154 -7.1154 -5.7043 -5.7043 -3.7192 -3.7192 0.4981 0.4981 6.0947 6.0947 6.3032 6.3032 7.2926 7.2926 7.6227 7.6227 7.7116 7.7116 8.3966 8.3966 8.6371 8.6371 10.9666 10.9666 11.1042 11.1042 k = 0.0000 0.0000 0.0122 ( 2803 PWs) bands (ev): -7.6600 -7.6600 -7.6242 -7.6242 -7.6222 -7.6222 -7.6149 -7.6149 -7.2218 -7.2218 -7.2010 -7.2010 -7.1619 -7.1619 -7.1461 -7.1461 -7.1421 -7.1421 -7.1154 -7.1154 -5.7030 -5.7030 -3.7227 -3.7227 0.5041 0.5041 6.0957 6.0957 6.3042 6.3042 7.2763 7.2763 7.6063 7.6063 7.7096 7.7096 8.3980 8.3980 8.6648 8.6648 10.9683 10.9683 11.1058 11.1058 k = 0.0000 0.0000 0.0244 ( 2809 PWs) bands (ev): -7.6599 -7.6599 -7.6241 -7.6241 -7.6223 -7.6223 -7.6149 -7.6149 -7.2218 -7.2218 -7.2011 -7.2011 -7.1619 -7.1619 -7.1462 -7.1462 -7.1420 -7.1420 -7.1155 -7.1155 -5.6990 -5.6990 -3.7333 -3.7333 0.5220 0.5220 6.0989 6.0989 6.3074 6.3074 7.2246 7.2246 7.5679 7.5679 7.7038 7.7038 8.4020 8.4020 8.7399 8.7399 10.9734 10.9734 11.1108 11.1108 k = 0.0000 0.0000 0.0366 ( 2821 PWs) bands (ev): -7.6598 -7.6598 -7.6241 -7.6241 -7.6225 -7.6225 -7.6150 -7.6150 -7.2219 -7.2219 -7.2013 -7.2013 -7.1618 -7.1618 -7.1464 -7.1464 -7.1419 -7.1419 -7.1157 -7.1157 -5.6925 -5.6925 -3.7507 -3.7507 0.5517 0.5517 6.1041 6.1041 6.3127 6.3127 7.1343 7.1343 7.5263 7.5263 7.6941 7.6941 8.4088 8.4088 8.8462 8.8462 10.9818 10.9818 11.1191 11.1191 k = 0.0000 0.0000 0.0488 ( 2821 PWs) bands (ev): -7.6595 -7.6595 -7.6241 -7.6241 -7.6227 -7.6227 -7.6151 -7.6151 -7.2218 -7.2218 -7.2016 -7.2016 -7.1617 -7.1617 -7.1465 -7.1465 -7.1417 -7.1417 -7.1159 -7.1159 -5.6833 -5.6833 -3.7746 -3.7746 0.5928 0.5928 6.1113 6.1113 6.3201 6.3201 7.0104 7.0104 7.4906 7.4906 7.6806 7.6806 8.4183 8.4183 8.9691 8.9691 10.9937 10.9937 11.1307 11.1307 k = 0.0000 0.0000 0.0611 ( 2809 PWs) bands (ev): -7.6591 -7.6591 -7.6239 -7.6239 -7.6230 -7.6230 -7.6151 -7.6151 -7.2218 -7.2218 -7.2019 -7.2019 -7.1615 -7.1615 -7.1467 -7.1467 -7.1415 -7.1415 -7.1161 -7.1161 -5.6716 -5.6716 -3.8047 -3.8047 0.6448 0.6448 6.1207 6.1207 6.3296 6.3296 6.8627 6.8627 7.4597 7.4597 7.6636 7.6636 8.4305 8.4305 9.0984 9.0984 11.0089 11.0089 11.1455 11.1455 k = 0.0000 0.0000 0.0733 ( 2827 PWs) bands (ev): -7.6587 -7.6587 -7.6239 -7.6239 -7.6234 -7.6234 -7.6153 -7.6153 -7.2218 -7.2218 -7.2024 -7.2024 -7.1614 -7.1614 -7.1471 -7.1471 -7.1412 -7.1412 -7.1165 -7.1165 -5.6573 -5.6573 -3.8404 -3.8404 0.7074 0.7074 6.1320 6.1320 6.3411 6.3411 6.6999 6.6999 7.4308 7.4308 7.6431 7.6431 8.4453 8.4453 9.2269 9.2269 11.0275 11.0275 11.1633 11.1633 k = 0.0000 0.0000 0.0855 ( 2827 PWs) bands (ev): -7.6582 -7.6582 -7.6239 -7.6239 -7.6238 -7.6238 -7.6154 -7.6154 -7.2218 -7.2218 -7.2028 -7.2028 -7.1612 -7.1612 -7.1474 -7.1474 -7.1409 -7.1409 -7.1168 -7.1168 -5.6404 -5.6404 -3.8811 -3.8811 0.7799 0.7799 6.1454 6.1454 6.3547 6.3547 6.5274 6.5274 7.4018 7.4018 7.6194 7.6194 8.4629 8.4629 9.3489 9.3489 11.0495 11.0495 11.1842 11.1842 k = 0.0000 0.0000 0.0977 ( 2827 PWs) bands (ev): -7.6576 -7.6576 -7.6244 -7.6244 -7.6237 -7.6237 -7.6156 -7.6156 -7.2217 -7.2217 -7.2034 -7.2034 -7.1610 -7.1610 -7.1477 -7.1477 -7.1405 -7.1405 -7.1172 -7.1172 -5.6209 -5.6209 -3.9264 -3.9264 0.8618 0.8618 6.1608 6.1608 6.3486 6.3486 6.3703 6.3703 7.3718 7.3718 7.5926 7.5926 8.4831 8.4831 9.4598 9.4598 11.0751 11.0751 11.2080 11.2080 k = 0.0000 0.0000 0.1099 ( 2821 PWs) bands (ev): -7.6570 -7.6570 -7.6249 -7.6249 -7.6235 -7.6235 -7.6157 -7.6157 -7.2217 -7.2217 -7.2039 -7.2039 -7.1607 -7.1607 -7.1481 -7.1481 -7.1400 -7.1400 -7.1176 -7.1176 -5.5990 -5.5990 -3.9757 -3.9757 0.9525 0.9525 6.1656 6.1656 6.1782 6.1782 6.3880 6.3880 7.3402 7.3402 7.5630 7.5630 8.5060 8.5060 9.5554 9.5554 11.1040 11.1040 11.2347 11.2347 k = 0.0000 0.0000 0.1221 ( 2833 PWs) bands (ev): -7.6563 -7.6563 -7.6256 -7.6256 -7.6234 -7.6234 -7.6159 -7.6159 -7.2216 -7.2216 -7.2046 -7.2046 -7.1605 -7.1605 -7.1485 -7.1485 -7.1396 -7.1396 -7.1181 -7.1181 -5.5746 -5.5746 -4.0284 -4.0284 1.0515 1.0515 5.9799 5.9799 6.1975 6.1975 6.4076 6.4076 7.3068 7.3068 7.5308 7.5308 8.5315 8.5315 9.6325 9.6325 11.1361 11.1361 11.2640 11.2640 k = 0.0000 0.0000 0.1343 ( 2828 PWs) bands (ev): -7.6555 -7.6555 -7.6263 -7.6263 -7.6232 -7.6232 -7.6161 -7.6161 -7.2214 -7.2214 -7.2053 -7.2053 -7.1602 -7.1602 -7.1489 -7.1489 -7.1391 -7.1391 -7.1186 -7.1186 -5.5477 -5.5477 -4.0839 -4.0839 1.1581 1.1581 5.7924 5.7924 6.2187 6.2187 6.4291 6.4291 7.2716 7.2716 7.4963 7.4963 8.5597 8.5597 9.6888 9.6888 11.1709 11.1709 11.2960 11.2960 k = 0.0000 0.0000 0.1465 ( 2852 PWs) bands (ev): -7.6548 -7.6548 -7.6271 -7.6271 -7.6231 -7.6231 -7.6163 -7.6163 -7.2214 -7.2214 -7.2060 -7.2060 -7.1599 -7.1599 -7.1494 -7.1494 -7.1386 -7.1386 -7.1192 -7.1192 -5.5184 -5.5184 -4.1418 -4.1418 1.2717 1.2717 5.6038 5.6038 6.2418 6.2418 6.4525 6.4525 7.2348 7.2348 7.4597 7.4597 8.5905 8.5905 9.7238 9.7238 11.2080 11.2080 11.3305 11.3305 k = 0.0000 0.0000 0.1588 ( 2840 PWs) bands (ev): -7.6539 -7.6539 -7.6278 -7.6278 -7.6228 -7.6228 -7.6165 -7.6165 -7.2212 -7.2212 -7.2068 -7.2068 -7.1596 -7.1596 -7.1498 -7.1498 -7.1379 -7.1379 -7.1198 -7.1198 -5.4867 -5.4867 -4.2016 -4.2016 1.3920 1.3920 5.4146 5.4146 6.2667 6.2667 6.4778 6.4778 7.1964 7.1964 7.4214 7.4214 8.6238 8.6238 9.7387 9.7387 11.2471 11.2471 11.3674 11.3674 k = 0.0000 0.0000 0.1710 ( 2840 PWs) bands (ev): -7.6530 -7.6530 -7.6287 -7.6287 -7.6226 -7.6226 -7.6168 -7.6168 -7.2210 -7.2210 -7.2076 -7.2076 -7.1592 -7.1592 -7.1502 -7.1502 -7.1373 -7.1373 -7.1204 -7.1204 -5.4527 -5.4527 -4.2628 -4.2628 1.5185 1.5185 5.2253 5.2253 6.2934 6.2934 6.5049 6.5049 7.1567 7.1567 7.3814 7.3814 8.6597 8.6597 9.7356 9.7356 11.2878 11.2878 11.4066 11.4066 k = 0.0000 0.0000 0.1832 ( 2840 PWs) bands (ev): -7.6520 -7.6520 -7.6296 -7.6296 -7.6224 -7.6224 -7.6170 -7.6170 -7.2208 -7.2208 -7.2084 -7.2084 -7.1589 -7.1589 -7.1506 -7.1506 -7.1366 -7.1366 -7.1211 -7.1211 -5.4164 -5.4164 -4.3250 -4.3250 1.6506 1.6506 5.0362 5.0362 6.3218 6.3218 6.5338 6.5338 7.1158 7.1158 7.3402 7.3402 8.6980 8.6980 9.7176 9.7176 11.3304 11.3304 11.4480 11.4480 k = 0.0000 0.0000 0.1954 ( 2834 PWs) bands (ev): -7.6509 -7.6509 -7.6305 -7.6305 -7.6222 -7.6222 -7.6172 -7.6172 -7.2205 -7.2205 -7.2092 -7.2092 -7.1585 -7.1585 -7.1511 -7.1511 -7.1359 -7.1359 -7.1217 -7.1217 -5.3778 -5.3778 -4.3879 -4.3879 1.7881 1.7881 4.8476 4.8476 6.3519 6.3519 6.5643 6.5643 7.0739 7.0739 7.2979 7.2979 8.7389 8.7389 9.6876 9.6876 11.3747 11.3747 11.4915 11.4915 k = 0.0000 0.0000 0.2076 ( 2834 PWs) bands (ev): -7.6498 -7.6498 -7.6315 -7.6315 -7.6219 -7.6219 -7.6175 -7.6175 -7.2202 -7.2202 -7.2100 -7.2100 -7.1582 -7.1582 -7.1515 -7.1515 -7.1351 -7.1351 -7.1224 -7.1224 -5.3370 -5.3370 -4.4512 -4.4512 1.9304 1.9304 4.6598 4.6598 6.3835 6.3835 6.5965 6.5965 7.0313 7.0313 7.2547 7.2547 8.7821 8.7821 9.6483 9.6483 11.4207 11.4207 11.5371 11.5371 k = 0.0000 0.0000 0.2198 ( 2834 PWs) bands (ev): -7.6488 -7.6488 -7.6325 -7.6325 -7.6217 -7.6217 -7.6178 -7.6178 -7.2199 -7.2199 -7.2108 -7.2108 -7.1578 -7.1578 -7.1520 -7.1520 -7.1344 -7.1344 -7.1232 -7.1232 -5.2940 -5.2940 -4.5144 -4.5144 2.0774 2.0774 4.4730 4.4730 6.4167 6.4167 6.6302 6.6302 6.9881 6.9881 7.2109 7.2109 8.8276 8.8276 9.6019 9.6019 11.4686 11.4686 11.5846 11.5846 k = 0.0000 0.0000 0.2320 ( 2834 PWs) bands (ev): -7.6476 -7.6476 -7.6336 -7.6336 -7.6214 -7.6214 -7.6180 -7.6180 -7.2195 -7.2195 -7.2117 -7.2117 -7.1574 -7.1574 -7.1524 -7.1524 -7.1336 -7.1336 -7.1239 -7.1239 -5.2490 -5.2490 -4.5775 -4.5775 2.2287 2.2287 4.2874 4.2874 6.4514 6.4514 6.6655 6.6655 6.9445 6.9445 7.1666 7.1666 8.8754 8.8754 9.5505 9.5505 11.5182 11.5182 11.6339 11.6339 k = 0.0000 0.0000 0.2442 ( 2828 PWs) bands (ev): -7.6464 -7.6464 -7.6347 -7.6347 -7.6212 -7.6212 -7.6183 -7.6183 -7.2190 -7.2190 -7.2125 -7.2125 -7.1570 -7.1570 -7.1529 -7.1529 -7.1329 -7.1329 -7.1246 -7.1246 -5.2020 -5.2020 -4.6401 -4.6401 2.3839 2.3839 4.1033 4.1033 6.4874 6.4874 6.7021 6.7021 6.9007 6.9007 7.1222 7.1222 8.9253 8.9253 9.4954 9.4954 11.5694 11.5694 11.6850 11.6850 k = 0.0000 0.0000 0.2564 ( 2828 PWs) bands (ev): -7.6453 -7.6453 -7.6358 -7.6358 -7.6209 -7.6209 -7.6186 -7.6186 -7.2185 -7.2185 -7.2133 -7.2133 -7.1566 -7.1566 -7.1533 -7.1533 -7.1320 -7.1320 -7.1254 -7.1254 -5.1530 -5.1530 -4.7020 -4.7020 2.5428 2.5428 3.9208 3.9208 6.5247 6.5247 6.7400 6.7400 6.8570 6.8570 7.0777 7.0777 8.9772 8.9772 9.4380 9.4380 11.6223 11.6223 11.7378 11.7378 k = 0.0000 0.0000 0.2687 ( 2840 PWs) bands (ev): -7.6441 -7.6441 -7.6369 -7.6369 -7.6206 -7.6206 -7.6189 -7.6189 -7.2180 -7.2180 -7.2141 -7.2141 -7.1563 -7.1563 -7.1538 -7.1538 -7.1312 -7.1312 -7.1263 -7.1263 -5.1021 -5.1021 -4.7630 -4.7630 2.7052 2.7052 3.7401 3.7401 6.5633 6.5633 6.7792 6.7792 6.8133 6.8133 7.0334 7.0334 9.0309 9.0309 9.3792 9.3792 11.6767 11.6767 11.7921 11.7921 k = 0.0000 0.0000 0.2809 ( 2834 PWs) bands (ev): -7.6429 -7.6429 -7.6381 -7.6381 -7.6204 -7.6204 -7.6192 -7.6192 -7.2174 -7.2174 -7.2148 -7.2148 -7.1559 -7.1559 -7.1542 -7.1542 -7.1304 -7.1304 -7.1271 -7.1271 -5.0495 -5.0495 -4.8230 -4.8230 2.8709 2.8709 3.5615 3.5615 6.6029 6.6029 6.7700 6.7700 6.8194 6.8194 6.9893 6.9893 9.0864 9.0864 9.3198 9.3198 11.7325 11.7325 11.8480 11.8480 k = 0.0000 0.0000 0.2931 ( 2834 PWs) bands (ev): -7.6417 -7.6417 -7.6393 -7.6393 -7.6201 -7.6201 -7.6195 -7.6195 -7.2168 -7.2168 -7.2155 -7.2155 -7.1554 -7.1554 -7.1546 -7.1546 -7.1296 -7.1296 -7.1279 -7.1279 -4.9951 -4.9951 -4.8818 -4.8818 3.0395 3.0395 3.3850 3.3850 6.6435 6.6435 6.7272 6.7272 6.8607 6.8607 6.9458 6.9458 9.1433 9.1433 9.2604 9.2604 11.7896 11.7896 11.9052 11.9052 k = 0.0000 0.0000 0.3053 ( 2834 PWs) bands (ev): -7.6405 -7.6405 -7.6405 -7.6405 -7.6198 -7.6198 -7.6198 -7.6198 -7.2162 -7.2162 -7.2162 -7.2162 -7.1550 -7.1550 -7.1550 -7.1550 -7.1287 -7.1287 -7.1287 -7.1287 -4.9392 -4.9392 -4.9392 -4.9392 3.2110 3.2110 3.2110 3.2110 6.6850 6.6850 6.6850 6.6850 6.9029 6.9029 6.9029 6.9029 9.2014 9.2014 9.2014 9.2014 11.8480 11.8480 11.8480 11.8480 k = 0.0000 0.0000 0.3053 ( 2834 PWs) bands (ev): -7.6405 -7.6405 -7.6405 -7.6405 -7.6198 -7.6198 -7.6198 -7.6198 -7.2162 -7.2162 -7.2162 -7.2162 -7.1550 -7.1550 -7.1550 -7.1550 -7.1287 -7.1287 -7.1287 -7.1287 -4.9392 -4.9392 -4.9392 -4.9392 3.2110 3.2110 3.2110 3.2110 6.6850 6.6850 6.6850 6.6850 6.9029 6.9029 6.9029 6.9029 9.2014 9.2014 9.2014 9.2014 11.8480 11.8480 11.8480 11.8480 k = 0.0106 0.0061 0.3053 ( 2834 PWs) bands (ev): -7.6415 -7.6415 -7.6395 -7.6395 -7.6197 -7.6197 -7.6197 -7.6197 -7.2177 -7.2177 -7.2148 -7.2148 -7.1552 -7.1552 -7.1548 -7.1548 -7.1288 -7.1288 -7.1288 -7.1288 -4.9382 -4.9382 -4.9377 -4.9377 3.2098 3.2098 3.2114 3.2114 6.6748 6.6748 6.6804 6.6804 6.8948 6.8948 6.8949 6.8949 9.2114 9.2114 9.2172 9.2172 11.8470 11.8470 11.8484 11.8484 k = 0.0213 0.0123 0.3053 ( 2830 PWs) bands (ev): -7.6427 -7.6427 -7.6387 -7.6387 -7.6195 -7.6195 -7.6195 -7.6195 -7.2192 -7.2192 -7.2134 -7.2134 -7.1553 -7.1553 -7.1546 -7.1546 -7.1288 -7.1288 -7.1288 -7.1288 -4.9349 -4.9349 -4.9339 -4.9339 3.2076 3.2076 3.2109 3.2109 6.6487 6.6487 6.6603 6.6603 6.8722 6.8722 6.8731 6.8731 9.2463 9.2463 9.2578 9.2578 11.8431 11.8431 11.8461 11.8461 k = 0.0319 0.0184 0.3053 ( 2826 PWs) bands (ev): -7.6440 -7.6440 -7.6381 -7.6381 -7.6193 -7.6193 -7.6192 -7.6192 -7.2207 -7.2207 -7.2121 -7.2121 -7.1554 -7.1554 -7.1543 -7.1543 -7.1288 -7.1288 -7.1288 -7.1288 -4.9292 -4.9292 -4.9277 -4.9277 3.2045 3.2045 3.2094 3.2094 6.6045 6.6045 6.6224 6.6224 6.8400 6.8400 6.8426 6.8426 9.3034 9.3034 9.3200 9.3200 11.8312 11.8312 11.8361 11.8361 k = 0.0426 0.0246 0.3053 ( 2826 PWs) bands (ev): -7.6453 -7.6453 -7.6377 -7.6377 -7.6190 -7.6190 -7.6187 -7.6187 -7.2223 -7.2223 -7.2108 -7.2108 -7.1554 -7.1554 -7.1540 -7.1540 -7.1288 -7.1288 -7.1288 -7.1288 -4.9210 -4.9210 -4.9191 -4.9191 3.2003 3.2003 3.2069 3.2069 6.5410 6.5410 6.5647 6.5647 6.8039 6.8039 6.8083 6.8083 9.3787 9.3787 9.3999 9.3999 11.8088 11.8088 11.8154 11.8154 k = 0.0532 0.0307 0.3053 ( 2826 PWs) bands (ev): -7.6467 -7.6467 -7.6374 -7.6374 -7.6186 -7.6186 -7.6181 -7.6181 -7.2239 -7.2239 -7.2097 -7.2097 -7.1554 -7.1554 -7.1537 -7.1537 -7.1289 -7.1289 -7.1288 -7.1288 -4.9106 -4.9106 -4.9082 -4.9082 3.1948 3.1948 3.2030 3.2030 6.4596 6.4596 6.4878 6.4879 6.7676 6.7676 6.7729 6.7729 9.4674 9.4674 9.4927 9.4927 11.7780 11.7780 11.7862 11.7862 k = 0.0638 0.0369 0.3053 ( 2834 PWs) bands (ev): -7.6481 -7.6481 -7.6373 -7.6373 -7.6181 -7.6181 -7.6174 -7.6174 -7.2255 -7.2255 -7.2086 -7.2086 -7.1554 -7.1554 -7.1534 -7.1534 -7.1290 -7.1290 -7.1289 -7.1289 -4.8977 -4.8977 -4.8949 -4.8949 3.1878 3.1878 3.1977 3.1977 6.3638 6.3638 6.3954 6.3954 6.7313 6.7313 6.7370 6.7370 9.5647 9.5647 9.5938 9.5938 11.7428 11.7428 11.7526 11.7526 k = 0.0745 0.0430 0.3053 ( 2830 PWs) bands (ev): -7.6495 -7.6495 -7.6373 -7.6373 -7.6176 -7.6176 -7.6166 -7.6166 -7.2271 -7.2271 -7.2077 -7.2077 -7.1553 -7.1553 -7.1531 -7.1531 -7.1291 -7.1291 -7.1289 -7.1289 -4.8825 -4.8825 -4.8793 -4.8793 3.1789 3.1789 3.1905 3.1905 6.2578 6.2578 6.2920 6.2920 6.6944 6.6944 6.6999 6.6999 9.6660 9.6660 9.6986 9.6986 11.7074 11.7074 11.7187 11.7187 k = 0.0851 0.0491 0.3053 ( 2826 PWs) bands (ev): -7.6510 -7.6510 -7.6374 -7.6374 -7.6171 -7.6171 -7.6157 -7.6157 -7.2286 -7.2286 -7.2068 -7.2068 -7.1552 -7.1552 -7.1527 -7.1527 -7.1292 -7.1292 -7.1289 -7.1289 -4.8650 -4.8650 -4.8614 -4.8614 3.1677 3.1677 3.1811 3.1811 6.1452 6.1452 6.1814 6.1814 6.6559 6.6559 6.6612 6.6612 9.7665 9.7665 9.8021 9.8021 11.6758 11.6758 11.6885 11.6885 k = 0.0957 0.0553 0.3053 ( 2830 PWs) bands (ev): -7.6524 -7.6524 -7.6376 -7.6376 -7.6166 -7.6166 -7.6148 -7.6148 -7.2301 -7.2301 -7.2060 -7.2060 -7.1550 -7.1550 -7.1524 -7.1524 -7.1294 -7.1294 -7.1288 -7.1288 -4.8451 -4.8451 -4.8412 -4.8412 3.1539 3.1539 3.1690 3.1690 6.0291 6.0291 6.0670 6.0670 6.6157 6.6157 6.6205 6.6205 9.8614 9.8614 9.8996 9.8996 11.6519 11.6519 11.6659 11.6659 k = 0.1064 0.0614 0.3053 ( 2836 PWs) bands (ev): -7.6538 -7.6538 -7.6379 -7.6379 -7.6160 -7.6160 -7.6139 -7.6139 -7.2316 -7.2316 -7.2053 -7.2053 -7.1548 -7.1548 -7.1521 -7.1521 -7.1295 -7.1295 -7.1288 -7.1288 -4.8230 -4.8230 -4.8188 -4.8188 3.1368 3.1368 3.1537 3.1537 5.9119 5.9119 5.9514 5.9514 6.5734 6.5734 6.5779 6.5779 9.9459 9.9459 9.9863 9.9863 11.6399 11.6399 11.6547 11.6547 k = 0.1170 0.0676 0.3053 ( 2828 PWs) bands (ev): -7.6552 -7.6552 -7.6383 -7.6383 -7.6154 -7.6154 -7.6129 -7.6129 -7.2330 -7.2330 -7.2047 -7.2047 -7.1545 -7.1545 -7.1518 -7.1518 -7.1297 -7.1297 -7.1287 -7.1287 -4.7986 -4.7986 -4.7941 -4.7941 3.1159 3.1159 3.1346 3.1346 5.7959 5.7959 5.8368 5.8368 6.5293 6.5293 6.5334 6.5334 10.0157 10.0157 10.0574 10.0574 11.6435 11.6435 11.6584 11.6584 k = 0.1277 0.0737 0.3053 ( 2828 PWs) bands (ev): -7.6566 -7.6566 -7.6388 -7.6388 -7.6149 -7.6149 -7.6120 -7.6120 -7.2343 -7.2343 -7.2042 -7.2042 -7.1542 -7.1542 -7.1515 -7.1515 -7.1298 -7.1298 -7.1286 -7.1286 -4.7720 -4.7720 -4.7673 -4.7673 3.0907 3.0907 3.1110 3.1110 5.6828 5.6828 5.7249 5.7249 6.4834 6.4834 6.4872 6.4872 10.0673 10.0673 10.1095 10.1095 11.6649 11.6649 11.6789 11.6789 k = 0.1383 0.0798 0.3053 ( 2828 PWs) bands (ev): -7.6580 -7.6580 -7.6393 -7.6393 -7.6143 -7.6143 -7.6111 -7.6111 -7.2355 -7.2355 -7.2038 -7.2038 -7.1539 -7.1539 -7.1513 -7.1513 -7.1300 -7.1300 -7.1285 -7.1285 -4.7432 -4.7432 -4.7383 -4.7383 3.0604 3.0604 3.0823 3.0823 5.5741 5.5741 5.6175 5.6175 6.4360 6.4360 6.4395 6.4395 10.0990 10.0990 10.1406 10.1406 11.7043 11.7043 11.7165 11.7165 k = 0.1489 0.0860 0.3053 ( 2830 PWs) bands (ev): -7.6593 -7.6593 -7.6398 -7.6398 -7.6137 -7.6137 -7.6103 -7.6103 -7.2367 -7.2367 -7.2035 -7.2035 -7.1536 -7.1536 -7.1510 -7.1510 -7.1301 -7.1301 -7.1283 -7.1283 -4.7123 -4.7123 -4.7072 -4.7072 3.0243 3.0243 3.0477 3.0477 5.4715 5.4715 5.5158 5.5158 6.3874 6.3874 6.3906 6.3906 10.1109 10.1109 10.1511 10.1511 11.7593 11.7593 11.7686 11.7686 k = 0.1596 0.0921 0.3053 ( 2838 PWs) bands (ev): -7.6606 -7.6606 -7.6405 -7.6405 -7.6131 -7.6131 -7.6095 -7.6095 -7.2378 -7.2378 -7.2034 -7.2034 -7.1533 -7.1533 -7.1508 -7.1508 -7.1303 -7.1303 -7.1281 -7.1281 -4.6793 -4.6793 -4.6741 -4.6741 2.9820 2.9820 3.0066 3.0066 5.3760 5.3760 5.4211 5.4211 6.3377 6.3377 6.3408 6.3408 10.1050 10.1050 10.1432 10.1432 11.8245 11.8245 11.8302 11.8302 k = 0.1702 0.0983 0.3053 ( 2838 PWs) bands (ev): -7.6618 -7.6618 -7.6411 -7.6411 -7.6126 -7.6126 -7.6088 -7.6088 -7.2388 -7.2388 -7.2032 -7.2032 -7.1530 -7.1530 -7.1507 -7.1507 -7.1304 -7.1304 -7.1279 -7.1279 -4.6442 -4.6442 -4.6389 -4.6389 2.9327 2.9327 2.9583 2.9583 5.2888 5.2888 5.3344 5.3344 6.2874 6.2874 6.2903 6.2903 10.0841 10.0841 10.1201 10.1201 11.8926 11.8926 11.8945 11.8945 k = 0.1809 0.1044 0.3053 ( 2836 PWs) bands (ev): -7.6630 -7.6630 -7.6418 -7.6418 -7.6120 -7.6120 -7.6080 -7.6080 -7.2397 -7.2397 -7.2032 -7.2032 -7.1526 -7.1526 -7.1505 -7.1505 -7.1305 -7.1305 -7.1276 -7.1276 -4.6071 -4.6071 -4.6018 -4.6018 2.8763 2.8763 2.9026 2.9026 5.2106 5.2106 5.2565 5.2565 6.2367 6.2367 6.2394 6.2394 10.0515 10.0515 10.0852 10.0852 11.9535 11.9535 11.9554 11.9554 k = 0.1915 0.1106 0.3053 ( 2832 PWs) bands (ev): -7.6642 -7.6642 -7.6425 -7.6425 -7.6114 -7.6114 -7.6074 -7.6074 -7.2404 -7.2404 -7.2032 -7.2032 -7.1522 -7.1522 -7.1504 -7.1504 -7.1305 -7.1305 -7.1272 -7.1272 -4.5682 -4.5682 -4.5629 -4.5629 2.8125 2.8125 2.8392 2.8392 5.1420 5.1420 5.1878 5.1878 6.1858 6.1858 6.1884 6.1884 10.0100 10.0100 10.0415 10.0415 11.9992 11.9992 12.0045 12.0045 k = 0.2021 0.1167 0.3053 ( 2824 PWs) bands (ev): -7.6652 -7.6652 -7.6432 -7.6432 -7.6109 -7.6109 -7.6068 -7.6068 -7.2410 -7.2410 -7.2034 -7.2034 -7.1519 -7.1519 -7.1503 -7.1503 -7.1305 -7.1305 -7.1268 -7.1268 -4.5273 -4.5273 -4.5221 -4.5221 2.7413 2.7413 2.7681 2.7681 5.0832 5.0832 5.1287 5.1287 6.1349 6.1349 6.1374 6.1374 9.9622 9.9622 9.9917 9.9917 12.0253 12.0253 12.0334 12.0334 k = 0.2128 0.1228 0.3053 ( 2828 PWs) bands (ev): -7.6663 -7.6663 -7.6440 -7.6440 -7.6103 -7.6103 -7.6063 -7.6063 -7.2416 -7.2416 -7.2036 -7.2036 -7.1515 -7.1515 -7.1502 -7.1502 -7.1305 -7.1305 -7.1265 -7.1265 -4.4848 -4.4848 -4.4796 -4.4796 2.6629 2.6629 2.6896 2.6896 5.0342 5.0342 5.0791 5.0791 6.0843 6.0843 6.0867 6.0867 9.9099 9.9099 9.9376 9.9376 12.0286 12.0286 12.0386 12.0386 k = 0.2234 0.1290 0.3053 ( 2828 PWs) bands (ev): -7.6673 -7.6673 -7.6449 -7.6449 -7.6098 -7.6098 -7.6058 -7.6058 -7.2420 -7.2420 -7.2038 -7.2038 -7.1512 -7.1512 -7.1502 -7.1502 -7.1305 -7.1305 -7.1260 -7.1260 -4.4405 -4.4405 -4.4354 -4.4354 2.5780 2.5780 2.6041 2.6041 4.9947 4.9947 5.0387 5.0387 6.0341 6.0341 6.0366 6.0366 9.8547 9.8547 9.8808 9.8808 12.0093 12.0093 12.0202 12.0202 k = 0.2340 0.1351 0.3053 ( 2832 PWs) bands (ev): -7.6682 -7.6682 -7.6457 -7.6457 -7.6093 -7.6093 -7.6054 -7.6054 -7.2423 -7.2423 -7.2042 -7.2042 -7.1509 -7.1509 -7.1502 -7.1502 -7.1304 -7.1304 -7.1256 -7.1256 -4.3947 -4.3947 -4.3896 -4.3896 2.4870 2.4870 2.5125 2.5125 4.9642 4.9642 5.0070 5.0070 5.9847 5.9847 5.9871 5.9871 9.7980 9.7980 9.8226 9.8226 11.9701 11.9701 11.9812 11.9812 k = 0.2447 0.1413 0.3053 ( 2828 PWs) bands (ev): -7.6691 -7.6691 -7.6466 -7.6466 -7.6088 -7.6088 -7.6050 -7.6050 -7.2426 -7.2426 -7.2046 -7.2046 -7.1507 -7.1507 -7.1503 -7.1503 -7.1302 -7.1302 -7.1251 -7.1251 -4.3473 -4.3473 -4.3425 -4.3425 2.3909 2.3909 2.4154 2.4154 4.9420 4.9420 4.9835 4.9835 5.9361 5.9361 5.9385 5.9385 9.7404 9.7404 9.7638 9.7638 11.9150 11.9150 11.9259 11.9259 k = 0.2553 0.1474 0.3053 ( 2826 PWs) bands (ev): -7.6699 -7.6699 -7.6476 -7.6476 -7.6084 -7.6084 -7.6047 -7.6047 -7.2426 -7.2426 -7.2051 -7.2051 -7.1504 -7.1504 -7.1503 -7.1503 -7.1300 -7.1300 -7.1246 -7.1246 -4.2987 -4.2987 -4.2940 -4.2940 2.2903 2.2903 2.3139 2.3139 4.9274 4.9274 4.9674 4.9674 5.8885 5.8885 5.8910 5.8910 9.6829 9.6829 9.7051 9.7051 11.8479 11.8479 11.8582 11.8582 k = 0.2660 0.1536 0.3053 ( 2822 PWs) bands (ev): -7.6706 -7.6706 -7.6485 -7.6485 -7.6079 -7.6079 -7.6044 -7.6044 -7.2426 -7.2426 -7.2056 -7.2056 -7.1503 -7.1503 -7.1502 -7.1502 -7.1297 -7.1297 -7.1241 -7.1241 -4.2488 -4.2488 -4.2442 -4.2442 2.1863 2.1863 2.2088 2.2088 4.9194 4.9194 4.9579 4.9579 5.8421 5.8421 5.8446 5.8446 9.6260 9.6260 9.6471 9.6471 11.7722 11.7722 11.7818 11.7818 k = 0.2766 0.1597 0.3053 ( 2822 PWs) bands (ev): -7.6713 -7.6713 -7.6495 -7.6495 -7.6075 -7.6075 -7.6042 -7.6042 -7.2425 -7.2425 -7.2062 -7.2062 -7.1504 -7.1504 -7.1501 -7.1501 -7.1294 -7.1294 -7.1236 -7.1236 -4.1978 -4.1978 -4.1935 -4.1935 2.0797 2.0797 2.1010 2.1010 4.9174 4.9174 4.9544 4.9544 5.7971 5.7971 5.7996 5.7996 9.5700 9.5700 9.5901 9.5901 11.6905 11.6905 11.6994 11.6994 k = 0.2872 0.1658 0.3053 ( 2826 PWs) bands (ev): -7.6719 -7.6719 -7.6505 -7.6505 -7.6071 -7.6071 -7.6040 -7.6040 -7.2423 -7.2423 -7.2068 -7.2068 -7.1505 -7.1505 -7.1500 -7.1500 -7.1291 -7.1291 -7.1232 -7.1232 -4.1459 -4.1459 -4.1418 -4.1418 1.9714 1.9714 1.9915 1.9915 4.9206 4.9206 4.9559 4.9559 5.7534 5.7534 5.7561 5.7561 9.5154 9.5154 9.5346 9.5346 11.6049 11.6049 11.6132 11.6132 k = 0.2979 0.1720 0.3053 ( 2828 PWs) bands (ev): -7.6725 -7.6725 -7.6516 -7.6516 -7.6068 -7.6068 -7.6038 -7.6038 -7.2420 -7.2420 -7.2075 -7.2075 -7.1506 -7.1506 -7.1499 -7.1499 -7.1287 -7.1287 -7.1227 -7.1227 -4.0933 -4.0933 -4.0894 -4.0894 1.8622 1.8622 1.8811 1.8811 4.9281 4.9281 4.9619 4.9619 5.7114 5.7114 5.7141 5.7141 9.4624 9.4624 9.4807 9.4807 11.5173 11.5173 11.5248 11.5248 k = 0.3085 0.1781 0.3053 ( 2824 PWs) bands (ev): -7.6730 -7.6730 -7.6526 -7.6526 -7.6064 -7.6064 -7.6037 -7.6037 -7.2416 -7.2416 -7.2082 -7.2082 -7.1506 -7.1506 -7.1498 -7.1498 -7.1283 -7.1283 -7.1222 -7.1222 -4.0401 -4.0401 -4.0365 -4.0365 1.7528 1.7528 1.7705 1.7705 4.9393 4.9393 4.9716 4.9716 5.6710 5.6710 5.6738 5.6738 9.4113 9.4113 9.4288 9.4288 11.4289 11.4289 11.4357 11.4357 k = 0.3191 0.1843 0.3053 ( 2828 PWs) bands (ev): -7.6734 -7.6734 -7.6537 -7.6537 -7.6061 -7.6061 -7.6036 -7.6036 -7.2412 -7.2412 -7.2090 -7.2090 -7.1507 -7.1507 -7.1497 -7.1497 -7.1278 -7.1278 -7.1218 -7.1218 -3.9867 -3.9867 -3.9833 -3.9833 1.6441 1.6441 1.6607 1.6607 4.9535 4.9535 4.9843 4.9843 5.6324 5.6324 5.6353 5.6353 9.3622 9.3622 9.3789 9.3789 11.3407 11.3407 11.3469 11.3469 k = 0.3298 0.1904 0.3053 ( 2830 PWs) bands (ev): -7.6738 -7.6738 -7.6548 -7.6548 -7.6058 -7.6058 -7.6035 -7.6035 -7.2406 -7.2406 -7.2098 -7.2098 -7.1508 -7.1508 -7.1497 -7.1497 -7.1273 -7.1273 -7.1214 -7.1214 -3.9331 -3.9331 -3.9300 -3.9300 1.5367 1.5367 1.5522 1.5522 4.9702 4.9702 4.9995 4.9995 5.5957 5.5957 5.5988 5.5988 9.3153 9.3153 9.3312 9.3312 11.2537 11.2537 11.2593 11.2593 k = 0.3404 0.1965 0.3053 ( 2830 PWs) bands (ev): -7.6741 -7.6741 -7.6559 -7.6559 -7.6055 -7.6055 -7.6034 -7.6034 -7.2400 -7.2400 -7.2106 -7.2106 -7.1509 -7.1509 -7.1497 -7.1497 -7.1268 -7.1268 -7.1210 -7.1210 -3.8798 -3.8798 -3.8769 -3.8769 1.4313 1.4313 1.4457 1.4457 4.9888 4.9888 5.0166 5.0166 5.5609 5.5609 5.5642 5.5642 9.2708 9.2708 9.2859 9.2859 11.1687 11.1687 11.1737 11.1737 k = 0.3511 0.2027 0.3053 ( 2826 PWs) bands (ev): -7.6743 -7.6743 -7.6570 -7.6570 -7.6052 -7.6052 -7.6033 -7.6033 -7.2393 -7.2393 -7.2115 -7.2115 -7.1509 -7.1509 -7.1497 -7.1497 -7.1262 -7.1262 -7.1206 -7.1206 -3.8270 -3.8270 -3.8243 -3.8243 1.3286 1.3286 1.3419 1.3419 5.0086 5.0086 5.0350 5.0350 5.5283 5.5283 5.5318 5.5318 9.2288 9.2288 9.2431 9.2431 11.0863 11.0863 11.0907 11.0907 k = 0.3617 0.2088 0.3053 ( 2826 PWs) bands (ev): -7.6745 -7.6745 -7.6581 -7.6581 -7.6050 -7.6050 -7.6033 -7.6033 -7.2386 -7.2386 -7.2124 -7.2124 -7.1510 -7.1510 -7.1498 -7.1498 -7.1257 -7.1257 -7.1202 -7.1202 -3.7750 -3.7750 -3.7726 -3.7726 1.2291 1.2291 1.2413 1.2414 5.0293 5.0293 5.0543 5.0543 5.4978 5.4978 5.5015 5.5015 9.1892 9.1892 9.2027 9.2027 11.0070 11.0070 11.0110 11.0110 k = 0.3723 0.2150 0.3053 ( 2832 PWs) bands (ev): -7.6746 -7.6746 -7.6592 -7.6592 -7.6048 -7.6048 -7.6032 -7.6032 -7.2378 -7.2378 -7.2134 -7.2134 -7.1511 -7.1511 -7.1498 -7.1498 -7.1251 -7.1251 -7.1200 -7.1200 -3.7242 -3.7242 -3.7220 -3.7220 1.1335 1.1335 1.1448 1.1448 5.0503 5.0503 5.0739 5.0739 5.4697 5.4697 5.4735 5.4735 9.1523 9.1523 9.1650 9.1650 10.9315 10.9315 10.9350 10.9350 k = 0.3830 0.2211 0.3053 ( 2832 PWs) bands (ev): -7.6746 -7.6746 -7.6603 -7.6603 -7.6045 -7.6045 -7.6032 -7.6032 -7.2370 -7.2370 -7.2143 -7.2143 -7.1511 -7.1511 -7.1499 -7.1499 -7.1246 -7.1246 -7.1197 -7.1197 -3.6749 -3.6749 -3.6730 -3.6730 1.0425 1.0425 1.0527 1.0527 5.0712 5.0712 5.0933 5.0933 5.4438 5.4438 5.4479 5.4479 9.1182 9.1182 9.1300 9.1300 10.8602 10.8602 10.8633 10.8633 k = 0.3936 0.2273 0.3053 ( 2832 PWs) bands (ev): -7.6746 -7.6746 -7.6614 -7.6614 -7.6044 -7.6044 -7.6032 -7.6032 -7.2361 -7.2361 -7.2153 -7.2153 -7.1511 -7.1511 -7.1500 -7.1500 -7.1240 -7.1240 -7.1195 -7.1194 -3.6277 -3.6277 -3.6261 -3.6261 0.9565 0.9565 0.9658 0.9658 5.0915 5.0915 5.1122 5.1122 5.4205 5.4205 5.4247 5.4247 9.0868 9.0868 9.0977 9.0977 10.7936 10.7936 10.7962 10.7962 k = 0.4043 0.2334 0.3053 ( 2832 PWs) bands (ev): -7.6745 -7.6745 -7.6625 -7.6625 -7.6042 -7.6042 -7.6032 -7.6032 -7.2352 -7.2352 -7.2163 -7.2163 -7.1512 -7.1512 -7.1501 -7.1501 -7.1234 -7.1234 -7.1193 -7.1193 -3.5829 -3.5829 -3.5815 -3.5815 0.8763 0.8763 0.8847 0.8847 5.1107 5.1107 5.1299 5.1299 5.3998 5.3998 5.4042 5.4042 9.0582 9.0582 9.0682 9.0682 10.7320 10.7320 10.7343 10.7343 k = 0.4149 0.2395 0.3053 ( 2830 PWs) bands (ev): -7.6743 -7.6743 -7.6635 -7.6635 -7.6040 -7.6040 -7.6032 -7.6032 -7.2342 -7.2342 -7.2173 -7.2173 -7.1512 -7.1512 -7.1501 -7.1501 -7.1229 -7.1229 -7.1191 -7.1191 -3.5411 -3.5411 -3.5398 -3.5398 0.8025 0.8025 0.8099 0.8099 5.1285 5.1285 5.1461 5.1461 5.3819 5.3819 5.3863 5.3863 9.0325 9.0325 9.0416 9.0416 10.6759 10.6759 10.6778 10.6778 k = 0.4255 0.2457 0.3053 ( 2830 PWs) bands (ev): -7.6741 -7.6741 -7.6645 -7.6645 -7.6039 -7.6039 -7.6032 -7.6032 -7.2332 -7.2332 -7.2184 -7.2184 -7.1512 -7.1512 -7.1502 -7.1502 -7.1224 -7.1224 -7.1190 -7.1190 -3.5026 -3.5026 -3.5015 -3.5015 0.7356 0.7356 0.7421 0.7421 5.1444 5.1444 5.1604 5.1604 5.3668 5.3668 5.3711 5.3711 9.0098 9.0098 9.0179 9.0179 10.6255 10.6255 10.6271 10.6271 k = 0.4362 0.2518 0.3053 ( 2830 PWs) bands (ev): -7.6738 -7.6738 -7.6655 -7.6655 -7.6038 -7.6038 -7.6032 -7.6032 -7.2322 -7.2322 -7.2194 -7.2194 -7.1511 -7.1511 -7.1503 -7.1503 -7.1219 -7.1219 -7.1190 -7.1190 -3.4680 -3.4680 -3.4671 -3.4671 0.6763 0.6763 0.6818 0.6818 5.1582 5.1582 5.1724 5.1724 5.3546 5.3546 5.3587 5.3587 8.9901 8.9901 8.9971 8.9971 10.5812 10.5812 10.5825 10.5825 k = 0.4468 0.2580 0.3053 ( 2830 PWs) bands (ev): -7.6734 -7.6734 -7.6665 -7.6665 -7.6037 -7.6037 -7.6032 -7.6032 -7.2312 -7.2312 -7.2205 -7.2205 -7.1511 -7.1511 -7.1504 -7.1504 -7.1215 -7.1215 -7.1190 -7.1190 -3.4377 -3.4377 -3.4370 -3.4370 0.6250 0.6250 0.6296 0.6296 5.1697 5.1697 5.1818 5.1818 5.3454 5.3454 5.3491 5.3491 8.9734 8.9734 8.9794 8.9794 10.5432 10.5432 10.5442 10.5442 k = 0.4574 0.2641 0.3053 ( 2830 PWs) bands (ev): -7.6730 -7.6730 -7.6674 -7.6674 -7.6036 -7.6036 -7.6032 -7.6032 -7.2302 -7.2302 -7.2216 -7.2216 -7.1511 -7.1511 -7.1505 -7.1505 -7.1210 -7.1210 -7.1190 -7.1190 -3.4122 -3.4122 -3.4117 -3.4117 0.5823 0.5823 0.5861 0.5861 5.1788 5.1788 5.1886 5.1886 5.3388 5.3388 5.3420 5.3420 8.9599 8.9599 8.9646 8.9646 10.5118 10.5118 10.5126 10.5126 k = 0.4681 0.2702 0.3053 ( 2830 PWs) bands (ev): -7.6725 -7.6725 -7.6683 -7.6683 -7.6035 -7.6035 -7.6032 -7.6032 -7.2291 -7.2291 -7.2226 -7.2226 -7.1510 -7.1510 -7.1506 -7.1506 -7.1206 -7.1206 -7.1191 -7.1191 -3.3919 -3.3919 -3.3915 -3.3915 0.5488 0.5488 0.5516 0.5516 5.1856 5.1856 5.1930 5.1930 5.3347 5.3347 5.3371 5.3371 8.9494 8.9494 8.9530 8.9530 10.4872 10.4872 10.4878 10.4878 k = 0.4787 0.2764 0.3053 ( 2826 PWs) bands (ev): -7.6719 -7.6719 -7.6691 -7.6691 -7.6034 -7.6034 -7.6032 -7.6032 -7.2280 -7.2280 -7.2237 -7.2237 -7.1510 -7.1510 -7.1507 -7.1507 -7.1203 -7.1203 -7.1192 -7.1192 -3.3771 -3.3771 -3.3769 -3.3769 0.5246 0.5246 0.5265 0.5265 5.1904 5.1904 5.1954 5.1954 5.3324 5.3324 5.3340 5.3340 8.9421 8.9421 8.9445 8.9445 10.4696 10.4696 10.4699 10.4699 k = 0.4894 0.2825 0.3053 ( 2826 PWs) bands (ev): -7.6713 -7.6713 -7.6699 -7.6699 -7.6034 -7.6034 -7.6033 -7.6033 -7.2270 -7.2270 -7.2248 -7.2248 -7.1509 -7.1509 -7.1508 -7.1508 -7.1199 -7.1199 -7.1194 -7.1194 -3.3682 -3.3682 -3.3680 -3.3680 0.5102 0.5102 0.5111 0.5111 5.1937 5.1937 5.1961 5.1961 5.3314 5.3314 5.3322 5.3322 8.9379 8.9379 8.9392 8.9392 10.4590 10.4590 10.4591 10.4591 k = 0.5000 0.2887 0.3053 ( 2832 PWs) bands (ev): -7.6706 -7.6706 -7.6706 -7.6706 -7.6033 -7.6033 -7.6033 -7.6033 -7.2259 -7.2259 -7.2259 -7.2259 -7.1509 -7.1509 -7.1509 -7.1509 -7.1197 -7.1197 -7.1197 -7.1197 -3.3651 -3.3651 -3.3651 -3.3651 0.5057 0.5057 0.5057 0.5057 5.1955 5.1955 5.1955 5.1955 5.3313 5.3313 5.3313 5.3313 8.9370 8.9370 8.9370 8.9370 10.4555 10.4555 10.4555 10.4555 k = 0.5000 0.2887 0.3053 ( 2832 PWs) bands (ev): -7.6706 -7.6706 -7.6706 -7.6706 -7.6033 -7.6033 -7.6033 -7.6033 -7.2259 -7.2259 -7.2259 -7.2259 -7.1509 -7.1509 -7.1509 -7.1509 -7.1197 -7.1197 -7.1197 -7.1197 -3.3651 -3.3651 -3.3651 -3.3651 0.5057 0.5057 0.5057 0.5057 5.1955 5.1955 5.1955 5.1955 5.3313 5.3313 5.3313 5.3313 8.9370 8.9370 8.9370 8.9370 10.4555 10.4555 10.4555 10.4555 k = 0.4938 0.2994 0.3053 ( 2828 PWs) bands (ev): -7.6722 -7.6722 -7.6691 -7.6691 -7.6038 -7.6038 -7.6028 -7.6028 -7.2279 -7.2279 -7.2239 -7.2239 -7.1511 -7.1511 -7.1506 -7.1506 -7.1201 -7.1201 -7.1193 -7.1193 -3.3645 -3.3645 -3.3642 -3.3642 0.5049 0.5049 0.5071 0.5071 5.1591 5.1591 5.1975 5.1975 5.3211 5.3211 5.3611 5.3611 8.9419 8.9419 8.9480 8.9480 10.4588 10.4588 10.4615 10.4615 k = 0.4877 0.3101 0.3053 ( 2828 PWs) bands (ev): -7.6737 -7.6737 -7.6676 -7.6676 -7.6043 -7.6043 -7.6022 -7.6022 -7.2299 -7.2299 -7.2221 -7.2221 -7.1513 -7.1513 -7.1503 -7.1503 -7.1205 -7.1205 -7.1190 -7.1190 -3.3624 -3.3624 -3.3619 -3.3619 0.5049 0.5049 0.5091 0.5091 5.1057 5.1057 5.1586 5.1586 5.3372 5.3372 5.3931 5.3931 8.9626 8.9626 8.9746 8.9746 10.4716 10.4716 10.4771 10.4771 k = 0.4815 0.3208 0.3053 ( 2828 PWs) bands (ev): -7.6752 -7.6752 -7.6660 -7.6660 -7.6048 -7.6048 -7.6016 -7.6016 -7.2319 -7.2319 -7.2202 -7.2202 -7.1514 -7.1514 -7.1499 -7.1499 -7.1209 -7.1209 -7.1187 -7.1187 -3.3588 -3.3588 -3.3580 -3.3580 0.5054 0.5054 0.5118 0.5118 5.0412 5.0412 5.0974 5.0974 5.3619 5.3619 5.4223 5.4223 8.9975 8.9975 9.0152 9.0152 10.4945 10.4945 10.5026 10.5026 k = 0.4753 0.3314 0.3053 ( 2826 PWs) bands (ev): -7.6767 -7.6767 -7.6646 -7.6646 -7.6052 -7.6052 -7.6009 -7.6009 -7.2340 -7.2340 -7.2185 -7.2185 -7.1516 -7.1516 -7.1496 -7.1496 -7.1214 -7.1214 -7.1184 -7.1184 -3.3537 -3.3537 -3.3527 -3.3527 0.5066 0.5066 0.5151 0.5151 4.9677 4.9677 5.0240 5.0240 5.3867 5.3867 5.4479 5.4479 9.0447 9.0447 9.0676 9.0676 10.5281 10.5281 10.5388 10.5388 k = 0.4691 0.3421 0.3053 ( 2830 PWs) bands (ev): -7.6781 -7.6781 -7.6631 -7.6631 -7.6056 -7.6056 -7.6003 -7.6003 -7.2360 -7.2360 -7.2168 -7.2168 -7.1517 -7.1517 -7.1492 -7.1492 -7.1219 -7.1219 -7.1182 -7.1182 -3.3472 -3.3472 -3.3460 -3.3460 0.5082 0.5082 0.5189 0.5189 4.8864 4.8864 4.9419 4.9419 5.4097 5.4097 5.4704 5.4704 9.1014 9.1014 9.1289 9.1289 10.5736 10.5736 10.5867 10.5867 k = 0.4630 0.3528 0.3053 ( 2838 PWs) bands (ev): -7.6796 -7.6796 -7.6618 -7.6618 -7.6060 -7.6060 -7.5996 -7.5996 -7.2381 -7.2381 -7.2153 -7.2153 -7.1517 -7.1517 -7.1488 -7.1488 -7.1225 -7.1225 -7.1180 -7.1180 -3.3394 -3.3394 -3.3380 -3.3380 0.5104 0.5104 0.5233 0.5233 4.7985 4.7985 4.8529 4.8529 5.4310 5.4310 5.4904 5.4904 9.1646 9.1646 9.1960 9.1960 10.6321 10.6321 10.6474 10.6474 k = 0.4568 0.3635 0.3053 ( 2830 PWs) bands (ev): -7.6809 -7.6809 -7.6604 -7.6604 -7.6063 -7.6063 -7.5988 -7.5988 -7.2401 -7.2401 -7.2138 -7.2138 -7.1517 -7.1517 -7.1483 -7.1483 -7.1230 -7.1230 -7.1177 -7.1177 -3.3302 -3.3302 -3.3286 -3.3286 0.5128 0.5128 0.5280 0.5280 4.7052 4.7052 4.7587 4.7587 5.4507 5.4507 5.5087 5.5087 9.2310 9.2310 9.2657 9.2657 10.7049 10.7049 10.7222 10.7222 k = 0.4506 0.3742 0.3053 ( 2822 PWs) bands (ev): -7.6822 -7.6822 -7.6591 -7.6591 -7.6065 -7.6065 -7.5981 -7.5981 -7.2421 -7.2421 -7.2124 -7.2124 -7.1516 -7.1516 -7.1478 -7.1478 -7.1236 -7.1236 -7.1175 -7.1175 -3.3198 -3.3198 -3.3180 -3.3180 0.5156 0.5156 0.5330 0.5330 4.6080 4.6080 4.6608 4.6608 5.4693 5.4693 5.5256 5.5256 9.2978 9.2978 9.3348 9.3348 10.7930 10.7930 10.8118 10.8118 k = 0.4444 0.3849 0.3053 ( 2818 PWs) bands (ev): -7.6835 -7.6835 -7.6579 -7.6579 -7.6068 -7.6068 -7.5973 -7.5973 -7.2440 -7.2440 -7.2112 -7.2112 -7.1515 -7.1515 -7.1473 -7.1473 -7.1241 -7.1241 -7.1174 -7.1174 -3.3082 -3.3082 -3.3062 -3.3062 0.5185 0.5185 0.5382 0.5382 4.5080 4.5080 4.5605 4.5605 5.4871 5.4871 5.5418 5.5418 9.3624 9.3624 9.4010 9.4010 10.8970 10.8970 10.9169 10.9169 k = 0.4383 0.3956 0.3053 ( 2822 PWs) bands (ev): -7.6847 -7.6847 -7.6567 -7.6567 -7.6070 -7.6070 -7.5966 -7.5966 -7.2459 -7.2459 -7.2101 -7.2101 -7.1514 -7.1514 -7.1468 -7.1468 -7.1248 -7.1248 -7.1173 -7.1173 -3.2955 -3.2955 -3.2934 -3.2934 0.5215 0.5215 0.5435 0.5435 4.4066 4.4066 4.4591 4.4591 5.5042 5.5042 5.5574 5.5574 9.4229 9.4229 9.4622 9.4622 11.0168 11.0168 11.0376 11.0376 k = 0.4321 0.4063 0.3053 ( 2822 PWs) bands (ev): -7.6859 -7.6859 -7.6557 -7.6557 -7.6072 -7.6072 -7.5958 -7.5958 -7.2477 -7.2477 -7.2090 -7.2090 -7.1513 -7.1513 -7.1462 -7.1462 -7.1254 -7.1254 -7.1172 -7.1172 -3.2818 -3.2818 -3.2797 -3.2797 0.5243 0.5243 0.5486 0.5486 4.3051 4.3051 4.3579 4.3579 5.5209 5.5209 5.5727 5.5727 9.4782 9.4782 9.5175 9.5175 11.1519 11.1519 11.1732 11.1732 k = 0.4259 0.4170 0.3053 ( 2822 PWs) bands (ev): -7.6870 -7.6870 -7.6547 -7.6547 -7.6074 -7.6074 -7.5951 -7.5951 -7.2494 -7.2494 -7.2081 -7.2081 -7.1511 -7.1511 -7.1457 -7.1457 -7.1261 -7.1261 -7.1171 -7.1171 -3.2673 -3.2673 -3.2651 -3.2651 0.5269 0.5269 0.5536 0.5536 4.2045 4.2045 4.2579 4.2579 5.5372 5.5372 5.5878 5.5878 9.5276 9.5276 9.5664 9.5664 11.3006 11.3006 11.3224 11.3224 k = 0.4198 0.4277 0.3053 ( 2818 PWs) bands (ev): -7.6880 -7.6880 -7.6538 -7.6538 -7.6075 -7.6075 -7.5943 -7.5943 -7.2510 -7.2510 -7.2073 -7.2073 -7.1509 -7.1509 -7.1451 -7.1451 -7.1267 -7.1267 -7.1170 -7.1170 -3.2521 -3.2521 -3.2498 -3.2498 0.5291 0.5291 0.5582 0.5582 4.1060 4.1060 4.1602 4.1602 5.5533 5.5533 5.6028 5.6028 9.5710 9.5710 9.6091 9.6091 11.4611 11.4611 11.4832 11.4832 k = 0.4136 0.4384 0.3053 ( 2814 PWs) bands (ev): -7.6889 -7.6889 -7.6530 -7.6530 -7.6076 -7.6076 -7.5935 -7.5935 -7.2525 -7.2525 -7.2066 -7.2066 -7.1507 -7.1507 -7.1444 -7.1444 -7.1274 -7.1274 -7.1169 -7.1169 -3.2363 -3.2363 -3.2340 -3.2340 0.5308 0.5308 0.5622 0.5622 4.0105 4.0105 4.0657 4.0657 5.5691 5.5691 5.6177 5.6177 9.6086 9.6086 9.6457 9.6457 11.6307 11.6307 11.6531 11.6531 k = 0.4074 0.4491 0.3053 ( 2822 PWs) bands (ev): -7.6898 -7.6898 -7.6523 -7.6523 -7.6077 -7.6077 -7.5929 -7.5929 -7.2540 -7.2540 -7.2060 -7.2060 -7.1505 -7.1505 -7.1438 -7.1438 -7.1280 -7.1280 -7.1169 -7.1169 -3.2201 -3.2201 -3.2178 -3.2178 0.5318 0.5318 0.5656 0.5656 3.9190 3.9190 3.9753 3.9753 5.5846 5.5846 5.6324 5.6324 9.6409 9.6409 9.6769 9.6769 11.8057 11.8057 11.8284 11.8284 k = 0.4012 0.4597 0.3053 ( 2822 PWs) bands (ev): -7.6906 -7.6906 -7.6517 -7.6517 -7.6078 -7.6078 -7.5922 -7.5922 -7.2553 -7.2553 -7.2054 -7.2054 -7.1503 -7.1503 -7.1432 -7.1432 -7.1287 -7.1287 -7.1169 -7.1169 -3.2037 -3.2037 -3.2014 -3.2014 0.5321 0.5321 0.5681 0.5681 3.8323 3.8323 3.8898 3.8898 5.5997 5.5997 5.6469 5.6469 9.6682 9.6682 9.7031 9.7031 11.9809 11.9809 12.0034 12.0034 k = 0.3951 0.4704 0.3053 ( 2830 PWs) bands (ev): -7.6914 -7.6914 -7.6512 -7.6512 -7.6079 -7.6079 -7.5915 -7.5915 -7.2565 -7.2565 -7.2050 -7.2050 -7.1501 -7.1501 -7.1425 -7.1425 -7.1294 -7.1294 -7.1168 -7.1168 -3.1873 -3.1873 -3.1851 -3.1851 0.5315 0.5315 0.5698 0.5698 3.7511 3.7511 3.8099 3.8099 5.6144 5.6144 5.6610 5.6610 9.6910 9.6910 9.7249 9.7249 12.1471 12.1471 12.1691 12.1691 k = 0.3889 0.4811 0.3053 ( 2824 PWs) bands (ev): -7.6920 -7.6920 -7.6507 -7.6507 -7.6079 -7.6079 -7.5909 -7.5909 -7.2576 -7.2576 -7.2047 -7.2047 -7.1499 -7.1499 -7.1419 -7.1419 -7.1300 -7.1300 -7.1168 -7.1168 -3.1711 -3.1711 -3.1690 -3.1690 0.5300 0.5300 0.5704 0.5704 3.6761 3.6761 3.7362 3.7362 5.6285 5.6285 5.6747 5.6747 9.7096 9.7096 9.7426 9.7426 12.2867 12.2867 12.3117 12.3117 k = 0.3827 0.4918 0.3053 ( 2832 PWs) bands (ev): -7.6927 -7.6927 -7.6503 -7.6503 -7.6079 -7.6079 -7.5904 -7.5904 -7.2586 -7.2586 -7.2044 -7.2044 -7.1497 -7.1497 -7.1412 -7.1412 -7.1307 -7.1307 -7.1168 -7.1168 -3.1554 -3.1554 -3.1534 -3.1534 0.5276 0.5276 0.5700 0.5700 3.6080 3.6080 3.6693 3.6693 5.6418 5.6418 5.6877 5.6877 9.7245 9.7245 9.7567 9.7567 12.3756 12.3756 12.4137 12.4137 k = 0.3765 0.5025 0.3053 ( 2828 PWs) bands (ev): -7.6932 -7.6932 -7.6500 -7.6500 -7.6079 -7.6079 -7.5898 -7.5898 -7.2594 -7.2594 -7.2042 -7.2042 -7.1496 -7.1496 -7.1406 -7.1406 -7.1313 -7.1313 -7.1167 -7.1167 -3.1404 -3.1404 -3.1385 -3.1385 0.5244 0.5244 0.5687 0.5687 3.5471 3.5471 3.6097 3.6097 5.6543 5.6543 5.7000 5.7000 9.7360 9.7360 9.7675 9.7675 12.4097 12.4097 12.4639 12.4639 k = 0.3704 0.5132 0.3053 ( 2828 PWs) bands (ev): -7.6936 -7.6936 -7.6497 -7.6497 -7.6080 -7.6080 -7.5894 -7.5894 -7.2601 -7.2601 -7.2040 -7.2040 -7.1494 -7.1494 -7.1399 -7.1399 -7.1319 -7.1319 -7.1167 -7.1167 -3.1264 -3.1264 -3.1246 -3.1246 0.5205 0.5205 0.5664 0.5664 3.4940 3.4940 3.5576 3.5576 5.6657 5.6657 5.7113 5.7113 9.7445 9.7445 9.7755 9.7755 12.4091 12.4091 12.4738 12.4738 k = 0.3642 0.5239 0.3053 ( 2824 PWs) bands (ev): -7.6940 -7.6940 -7.6495 -7.6495 -7.6080 -7.6080 -7.5890 -7.5890 -7.2607 -7.2607 -7.2039 -7.2039 -7.1493 -7.1493 -7.1393 -7.1393 -7.1325 -7.1325 -7.1167 -7.1167 -3.1137 -3.1137 -3.1121 -3.1121 0.5162 0.5162 0.5635 0.5635 3.4489 3.4489 3.5135 3.5135 5.6759 5.6759 5.7214 5.7214 9.7503 9.7503 9.7809 9.7809 12.3935 12.3935 12.4638 12.4638 k = 0.3580 0.5346 0.3053 ( 2822 PWs) bands (ev): -7.6943 -7.6943 -7.6493 -7.6493 -7.6079 -7.6079 -7.5887 -7.5887 -7.2612 -7.2612 -7.2038 -7.2038 -7.1491 -7.1491 -7.1387 -7.1387 -7.1330 -7.1330 -7.1167 -7.1167 -3.1026 -3.1026 -3.1011 -3.1011 0.5116 0.5116 0.5601 0.5601 3.4120 3.4120 3.4774 3.4774 5.6847 5.6847 5.7301 5.7301 9.7540 9.7540 9.7842 9.7842 12.3740 12.3740 12.4472 12.4472 k = 0.3519 0.5453 0.3053 ( 2814 PWs) bands (ev): -7.6945 -7.6945 -7.6492 -7.6492 -7.6079 -7.6079 -7.5884 -7.5884 -7.2615 -7.2615 -7.2037 -7.2037 -7.1490 -7.1490 -7.1382 -7.1382 -7.1335 -7.1335 -7.1166 -7.1166 -3.0935 -3.0935 -3.0921 -3.0921 0.5073 0.5073 0.5567 0.5567 3.3834 3.3834 3.4494 3.4494 5.6918 5.6918 5.7372 5.7372 9.7559 9.7559 9.7859 9.7859 12.3561 12.3561 12.4308 12.4308 k = 0.3457 0.5560 0.3053 ( 2808 PWs) bands (ev): -7.6947 -7.6947 -7.6491 -7.6491 -7.6079 -7.6079 -7.5882 -7.5882 -7.2618 -7.2618 -7.2036 -7.2036 -7.1490 -7.1490 -7.1378 -7.1378 -7.1339 -7.1339 -7.1166 -7.1166 -3.0865 -3.0865 -3.0853 -3.0853 0.5035 0.5035 0.5536 0.5536 3.3632 3.3632 3.4297 3.4297 5.6971 5.6971 5.7425 5.7425 9.7565 9.7565 9.7865 9.7865 12.3422 12.3422 12.4178 12.4178 k = 0.3395 0.5667 0.3053 ( 2812 PWs) bands (ev): -7.6948 -7.6948 -7.6491 -7.6491 -7.6079 -7.6079 -7.5881 -7.5881 -7.2619 -7.2619 -7.2036 -7.2036 -7.1489 -7.1489 -7.1375 -7.1375 -7.1341 -7.1341 -7.1166 -7.1166 -3.0822 -3.0822 -3.0810 -3.0810 0.5008 0.5008 0.5513 0.5513 3.3512 3.3512 3.4179 3.4179 5.7005 5.7005 5.7458 5.7458 9.7565 9.7565 9.7864 9.7864 12.3336 12.3336 12.4096 12.4096 k = 0.3333 0.5774 0.3053 ( 2808 PWs) bands (ev): -7.6948 -7.6948 -7.6491 -7.6491 -7.6079 -7.6079 -7.5881 -7.5881 -7.2620 -7.2620 -7.2036 -7.2036 -7.1489 -7.1489 -7.1374 -7.1374 -7.1342 -7.1342 -7.1166 -7.1166 -3.0806 -3.0806 -3.0795 -3.0795 0.4998 0.4998 0.5504 0.5504 3.3472 3.3472 3.4140 3.4140 5.7016 5.7016 5.7470 5.7470 9.7564 9.7564 9.7862 9.7862 12.3307 12.3307 12.4068 12.4068 k = 0.3333 0.5774 0.3053 ( 2808 PWs) bands (ev): -7.6948 -7.6948 -7.6491 -7.6491 -7.6079 -7.6079 -7.5881 -7.5881 -7.2620 -7.2620 -7.2036 -7.2036 -7.1489 -7.1489 -7.1374 -7.1374 -7.1342 -7.1342 -7.1166 -7.1166 -3.0806 -3.0806 -3.0795 -3.0795 0.4998 0.4998 0.5504 0.5504 3.3472 3.3472 3.4140 3.4140 5.7016 5.7016 5.7470 5.7470 9.7564 9.7564 9.7862 9.7862 12.3307 12.3307 12.4068 12.4068 k = 0.3272 0.5667 0.3053 ( 2816 PWs) bands (ev): -7.6948 -7.6948 -7.6491 -7.6491 -7.6079 -7.6079 -7.5881 -7.5881 -7.2619 -7.2619 -7.2036 -7.2036 -7.1490 -7.1490 -7.1375 -7.1375 -7.1342 -7.1342 -7.1166 -7.1166 -3.0822 -3.0822 -3.0811 -3.0811 0.5010 0.5010 0.5515 0.5515 3.3511 3.3511 3.4178 3.4178 5.7004 5.7004 5.7458 5.7458 9.7567 9.7567 9.7866 9.7866 12.3335 12.3335 12.4095 12.4095 k = 0.3210 0.5560 0.3053 ( 2808 PWs) bands (ev): -7.6947 -7.6947 -7.6491 -7.6491 -7.6079 -7.6079 -7.5882 -7.5882 -7.2618 -7.2618 -7.2036 -7.2036 -7.1490 -7.1490 -7.1377 -7.1377 -7.1339 -7.1339 -7.1166 -7.1166 -3.0872 -3.0872 -3.0860 -3.0860 0.5050 0.5050 0.5551 0.5551 3.3625 3.3625 3.4290 3.4290 5.6967 5.6967 5.7421 5.7421 9.7581 9.7581 9.7880 9.7880 12.3418 12.3418 12.4175 12.4175 k = 0.3148 0.5453 0.3053 ( 2812 PWs) bands (ev): -7.6945 -7.6945 -7.6492 -7.6492 -7.6079 -7.6079 -7.5884 -7.5884 -7.2616 -7.2616 -7.2036 -7.2036 -7.1490 -7.1490 -7.1380 -7.1380 -7.1337 -7.1337 -7.1166 -7.1166 -3.0958 -3.0958 -3.0944 -3.0944 0.5123 0.5123 0.5618 0.5618 3.3810 3.3810 3.4472 3.4472 5.6905 5.6905 5.7358 5.7358 9.7611 9.7611 9.7910 9.7910 12.3549 12.3549 12.4301 12.4301 k = 0.3086 0.5346 0.3053 ( 2824 PWs) bands (ev): -7.6943 -7.6943 -7.6492 -7.6492 -7.6080 -7.6080 -7.5886 -7.5886 -7.2614 -7.2614 -7.2037 -7.2037 -7.1491 -7.1491 -7.1383 -7.1383 -7.1335 -7.1335 -7.1167 -7.1167 -3.1081 -3.1081 -3.1065 -3.1065 0.5234 0.5234 0.5722 0.5722 3.4064 3.4064 3.4721 3.4721 5.6815 5.6815 5.7268 5.7268 9.7662 9.7662 9.7961 9.7961 12.3722 12.3722 12.4466 12.4466 k = 0.3025 0.5239 0.3053 ( 2828 PWs) bands (ev): -7.6941 -7.6941 -7.6493 -7.6493 -7.6080 -7.6080 -7.5889 -7.5889 -7.2610 -7.2610 -7.2037 -7.2037 -7.1493 -7.1493 -7.1386 -7.1386 -7.1333 -7.1333 -7.1168 -7.1168 -3.1242 -3.1242 -3.1225 -3.1225 0.5387 0.5387 0.5866 0.5866 3.4383 3.4383 3.5034 3.5034 5.6699 5.6699 5.7150 5.7150 9.7739 9.7739 9.8038 9.8038 12.3929 12.3929 12.4660 12.4660 k = 0.2963 0.5132 0.3053 ( 2830 PWs) bands (ev): -7.6937 -7.6937 -7.6493 -7.6493 -7.6080 -7.6080 -7.5893 -7.5893 -7.2607 -7.2607 -7.2037 -7.2037 -7.1494 -7.1494 -7.1389 -7.1389 -7.1330 -7.1330 -7.1168 -7.1168 -3.1443 -3.1443 -3.1423 -3.1423 0.5587 0.5587 0.6056 0.6056 3.4762 3.4762 3.5407 3.5407 5.6556 5.6556 5.7006 5.7006 9.7846 9.7846 9.8144 9.8144 12.4158 12.4158 12.4872 12.4872 k = 0.2901 0.5025 0.3053 ( 2822 PWs) bands (ev): -7.6933 -7.6933 -7.6494 -7.6494 -7.6080 -7.6080 -7.5896 -7.5896 -7.2602 -7.2602 -7.2036 -7.2036 -7.1495 -7.1495 -7.1392 -7.1392 -7.1328 -7.1328 -7.1169 -7.1169 -3.1682 -3.1682 -3.1660 -3.1660 0.5837 0.5837 0.6294 0.6294 3.5198 3.5198 3.5837 3.5837 5.6385 5.6385 5.6834 5.6834 9.7986 9.7986 9.8283 9.8283 12.4396 12.4396 12.5084 12.5084 k = 0.2840 0.4918 0.3053 ( 2822 PWs) bands (ev): -7.6928 -7.6928 -7.6494 -7.6494 -7.6080 -7.6080 -7.5900 -7.5900 -7.2597 -7.2597 -7.2036 -7.2036 -7.1497 -7.1497 -7.1395 -7.1395 -7.1327 -7.1327 -7.1170 -7.1170 -3.1959 -3.1959 -3.1935 -3.1935 0.6139 0.6139 0.6584 0.6584 3.5688 3.5688 3.6320 3.6320 5.6189 5.6189 5.6636 5.6636 9.8161 9.8161 9.8457 9.8457 12.4625 12.4625 12.5278 12.5278 k = 0.2778 0.4811 0.3053 ( 2818 PWs) bands (ev): -7.6923 -7.6923 -7.6494 -7.6494 -7.6080 -7.6080 -7.5905 -7.5905 -7.2592 -7.2592 -7.2035 -7.2035 -7.1498 -7.1498 -7.1397 -7.1397 -7.1325 -7.1325 -7.1171 -7.1171 -3.2273 -3.2273 -3.2247 -3.2247 0.6495 0.6495 0.6927 0.6927 3.6227 3.6227 3.6852 3.6852 5.5968 5.5968 5.6413 5.6413 9.8373 9.8373 9.8668 9.8668 12.4826 12.4826 12.5428 12.5428 k = 0.2716 0.4704 0.3053 ( 2818 PWs) bands (ev): -7.6917 -7.6917 -7.6494 -7.6494 -7.6081 -7.6081 -7.5910 -7.5910 -7.2587 -7.2587 -7.2035 -7.2035 -7.1500 -7.1500 -7.1400 -7.1400 -7.1325 -7.1325 -7.1172 -7.1172 -3.2623 -3.2623 -3.2594 -3.2594 0.6905 0.6905 0.7324 0.7324 3.6812 3.6812 3.7431 3.7431 5.5723 5.5723 5.6166 5.6166 9.8622 9.8622 9.8916 9.8916 12.4971 12.4971 12.5508 12.5508 k = 0.2654 0.4597 0.3053 ( 2818 PWs) bands (ev): -7.6911 -7.6911 -7.6494 -7.6494 -7.6081 -7.6081 -7.5915 -7.5915 -7.2582 -7.2582 -7.2034 -7.2034 -7.1502 -7.1502 -7.1402 -7.1402 -7.1324 -7.1324 -7.1173 -7.1173 -3.3005 -3.3005 -3.2974 -3.2974 0.7369 0.7369 0.7775 0.7775 3.7440 3.7440 3.8053 3.8053 5.5457 5.5457 5.5899 5.5899 9.8909 9.8909 9.9201 9.9201 12.5031 12.5031 12.5493 12.5493 k = 0.2593 0.4491 0.3053 ( 2818 PWs) bands (ev): -7.6904 -7.6904 -7.6494 -7.6494 -7.6081 -7.6081 -7.5920 -7.5920 -7.2576 -7.2576 -7.2033 -7.2033 -7.1503 -7.1503 -7.1404 -7.1404 -7.1324 -7.1324 -7.1175 -7.1175 -3.3419 -3.3419 -3.3385 -3.3385 0.7887 0.7887 0.8280 0.8280 3.8108 3.8108 3.8715 3.8715 5.5172 5.5172 5.5613 5.5613 9.9231 9.9231 9.9524 9.9524 12.4972 12.4972 12.5367 12.5367 k = 0.2531 0.4384 0.3053 ( 2814 PWs) bands (ev): -7.6897 -7.6897 -7.6493 -7.6493 -7.6081 -7.6081 -7.5926 -7.5926 -7.2570 -7.2570 -7.2032 -7.2032 -7.1505 -7.1505 -7.1406 -7.1406 -7.1325 -7.1325 -7.1177 -7.1177 -3.3860 -3.3860 -3.3824 -3.3824 0.8458 0.8458 0.8837 0.8837 3.8813 3.8813 3.9414 3.9414 5.4871 5.4871 5.5311 5.5311 9.9589 9.9589 9.9881 9.9881 12.4770 12.4770 12.5132 12.5132 k = 0.2469 0.4277 0.3053 ( 2818 PWs) bands (ev): -7.6889 -7.6889 -7.6492 -7.6492 -7.6082 -7.6082 -7.5931 -7.5931 -7.2564 -7.2564 -7.2031 -7.2031 -7.1507 -7.1507 -7.1408 -7.1408 -7.1325 -7.1325 -7.1179 -7.1179 -3.4326 -3.4326 -3.4289 -3.4289 0.9080 0.9080 0.9446 0.9446 3.9551 3.9551 4.0148 4.0148 5.4556 5.4556 5.4996 5.4996 9.9978 9.9978 10.0272 10.0272 12.4424 12.4424 12.4797 12.4797 k = 0.2407 0.4170 0.3053 ( 2816 PWs) bands (ev): -7.6881 -7.6881 -7.6491 -7.6491 -7.6082 -7.6082 -7.5937 -7.5937 -7.2559 -7.2559 -7.2030 -7.2030 -7.1508 -7.1508 -7.1410 -7.1410 -7.1326 -7.1326 -7.1181 -7.1181 -3.4814 -3.4814 -3.4775 -3.4775 0.9750 0.9750 1.0105 1.0105 4.0319 4.0319 4.0914 4.0914 5.4230 5.4230 5.4671 5.4671 10.0397 10.0397 10.0694 10.0694 12.3964 12.3964 12.4371 12.4371 k = 0.2346 0.4063 0.3053 ( 2816 PWs) bands (ev): -7.6873 -7.6873 -7.6490 -7.6490 -7.6082 -7.6082 -7.5943 -7.5943 -7.2553 -7.2553 -7.2029 -7.2029 -7.1510 -7.1510 -7.1412 -7.1412 -7.1328 -7.1328 -7.1184 -7.1184 -3.5321 -3.5321 -3.5280 -3.5280 1.0467 1.0467 1.0810 1.0810 4.1116 4.1116 4.1708 4.1708 5.3898 5.3898 5.4340 5.4340 10.0841 10.0841 10.1142 10.1142 12.3424 12.3424 12.3865 12.3865 k = 0.2284 0.3956 0.3053 ( 2816 PWs) bands (ev): -7.6864 -7.6864 -7.6488 -7.6488 -7.6082 -7.6082 -7.5950 -7.5950 -7.2547 -7.2547 -7.2028 -7.2028 -7.1511 -7.1511 -7.1415 -7.1415 -7.1329 -7.1329 -7.1187 -7.1187 -3.5844 -3.5844 -3.5802 -3.5802 1.1228 1.1228 1.1560 1.1560 4.1936 4.1936 4.2529 4.2529 5.3562 5.3562 5.4008 5.4008 10.1306 10.1306 10.1614 10.1614 12.2836 12.2836 12.3298 12.3298 k = 0.2222 0.3849 0.3053 ( 2818 PWs) bands (ev): -7.6855 -7.6855 -7.6487 -7.6487 -7.6082 -7.6082 -7.5956 -7.5956 -7.2541 -7.2541 -7.2027 -7.2027 -7.1512 -7.1512 -7.1417 -7.1417 -7.1330 -7.1330 -7.1190 -7.1190 -3.6380 -3.6380 -3.6336 -3.6336 1.2029 1.2029 1.2351 1.2351 4.2778 4.2778 4.3374 4.3374 5.3227 5.3227 5.3678 5.3678 10.1786 10.1786 10.2105 10.2105 12.2221 12.2221 12.2689 12.2689 k = 0.2160 0.3742 0.3053 ( 2818 PWs) bands (ev): -7.6845 -7.6845 -7.6484 -7.6484 -7.6083 -7.6083 -7.5962 -7.5962 -7.2535 -7.2535 -7.2025 -7.2025 -7.1514 -7.1514 -7.1420 -7.1420 -7.1331 -7.1331 -7.1193 -7.1193 -3.6926 -3.6926 -3.6881 -3.6881 1.2867 1.2867 1.3180 1.3180 4.3638 4.3638 4.4239 4.4239 5.2896 5.2896 5.3356 5.3356 10.2277 10.2277 10.2609 10.2609 12.1594 12.1594 12.2054 12.2054 k = 0.2099 0.3635 0.3053 ( 2818 PWs) bands (ev): -7.6836 -7.6836 -7.6482 -7.6482 -7.6083 -7.6083 -7.5969 -7.5969 -7.2529 -7.2529 -7.2024 -7.2024 -7.1515 -7.1515 -7.1423 -7.1423 -7.1333 -7.1333 -7.1196 -7.1196 -3.7479 -3.7479 -3.7433 -3.7433 1.3740 1.3740 1.4045 1.4045 4.4510 4.4510 4.5122 4.5122 5.2575 5.2575 5.3046 5.3046 10.2773 10.2773 10.3122 10.3122 12.0965 12.0965 12.1404 12.1404 k = 0.2037 0.3528 0.3053 ( 2822 PWs) bands (ev): -7.6826 -7.6826 -7.6479 -7.6479 -7.6084 -7.6084 -7.5975 -7.5975 -7.2524 -7.2524 -7.2023 -7.2023 -7.1515 -7.1515 -7.1427 -7.1427 -7.1334 -7.1334 -7.1200 -7.1200 -3.8036 -3.8036 -3.7990 -3.7990 1.4643 1.4643 1.4940 1.4940 4.5390 4.5390 4.6019 4.6019 5.2269 5.2269 5.2757 5.2757 10.3267 10.3267 10.3637 10.3637 12.0339 12.0339 12.0749 12.0749 k = 0.1975 0.3421 0.3053 ( 2822 PWs) bands (ev): -7.6815 -7.6815 -7.6476 -7.6476 -7.6084 -7.6084 -7.5981 -7.5981 -7.2518 -7.2518 -7.2022 -7.2022 -7.1516 -7.1516 -7.1430 -7.1430 -7.1334 -7.1334 -7.1204 -7.1204 -3.8596 -3.8596 -3.8549 -3.8549 1.5572 1.5572 1.5862 1.5862 4.6270 4.6270 4.6926 4.6926 5.1986 5.1986 5.2497 5.2497 10.3751 10.3751 10.4149 10.4149 11.9722 11.9722 12.0094 12.0094 k = 0.1914 0.3314 0.3053 ( 2822 PWs) bands (ev): -7.6805 -7.6805 -7.6473 -7.6473 -7.6085 -7.6085 -7.5987 -7.5987 -7.2512 -7.2512 -7.2021 -7.2021 -7.1517 -7.1517 -7.1434 -7.1434 -7.1335 -7.1335 -7.1207 -7.1207 -3.9156 -3.9156 -3.9108 -3.9108 1.6522 1.6522 1.6808 1.6808 4.7136 4.7136 4.7835 4.7835 5.1733 5.1733 5.2281 5.2281 10.4220 10.4220 10.4650 10.4650 11.9113 11.9113 11.9445 11.9445 k = 0.1852 0.3208 0.3053 ( 2822 PWs) bands (ev): -7.6794 -7.6794 -7.6469 -7.6469 -7.6086 -7.6086 -7.5994 -7.5994 -7.2506 -7.2506 -7.2020 -7.2020 -7.1517 -7.1517 -7.1438 -7.1438 -7.1335 -7.1335 -7.1212 -7.1212 -3.9714 -3.9714 -3.9665 -3.9665 1.7490 1.7490 1.7772 1.7772 4.7967 4.7967 4.8732 4.8732 5.1528 5.1528 5.2132 5.2132 10.4665 10.4665 10.5134 10.5134 11.8512 11.8512 11.8809 11.8809 k = 0.1790 0.3101 0.3053 ( 2820 PWs) bands (ev): -7.6783 -7.6783 -7.6465 -7.6465 -7.6087 -7.6087 -7.6000 -7.6000 -7.2500 -7.2500 -7.2019 -7.2019 -7.1518 -7.1518 -7.1443 -7.1443 -7.1335 -7.1335 -7.1216 -7.1216 -4.0268 -4.0268 -4.0218 -4.0218 1.8470 1.8470 1.8749 1.8749 4.8721 4.8721 4.9583 4.9583 5.1410 5.1410 5.2093 5.2093 10.5080 10.5080 10.5596 10.5596 11.7915 11.7915 11.8190 11.8190 k = 0.1728 0.2994 0.3053 ( 2822 PWs) bands (ev): -7.6772 -7.6772 -7.6461 -7.6461 -7.6088 -7.6088 -7.6006 -7.6006 -7.2494 -7.2494 -7.2019 -7.2019 -7.1518 -7.1518 -7.1448 -7.1448 -7.1335 -7.1335 -7.1220 -7.1220 -4.0815 -4.0815 -4.0765 -4.0765 1.9457 1.9457 1.9734 1.9734 4.9332 4.9332 5.0259 5.0259 5.1509 5.1509 5.2235 5.2235 10.5458 10.5458 10.6027 10.6027 11.7318 11.7318 11.7599 11.7599 k = 0.1667 0.2887 0.3053 ( 2814 PWs) bands (ev): -7.6761 -7.6761 -7.6457 -7.6457 -7.6089 -7.6089 -7.6012 -7.6012 -7.2487 -7.2487 -7.2018 -7.2018 -7.1518 -7.1518 -7.1452 -7.1452 -7.1334 -7.1334 -7.1225 -7.1225 -4.1355 -4.1355 -4.1304 -4.1304 2.0444 2.0444 2.0721 2.0721 4.9733 4.9733 5.0552 5.0552 5.2033 5.2033 5.2629 5.2629 10.5792 10.5793 10.6424 10.6424 11.6718 11.6718 11.7040 11.7040 k = 0.1605 0.2780 0.3053 ( 2810 PWs) bands (ev): -7.6749 -7.6749 -7.6452 -7.6452 -7.6091 -7.6091 -7.6018 -7.6018 -7.2481 -7.2481 -7.2017 -7.2017 -7.1518 -7.1518 -7.1457 -7.1457 -7.1333 -7.1333 -7.1229 -7.1229 -4.1886 -4.1886 -4.1833 -4.1833 2.1426 2.1426 2.1703 2.1703 4.9948 4.9948 5.0616 5.0616 5.2829 5.2829 5.3260 5.3260 10.6077 10.6077 10.6778 10.6778 11.6123 11.6123 11.6513 11.6513 k = 0.1543 0.2673 0.3053 ( 2824 PWs) bands (ev): -7.6738 -7.6738 -7.6448 -7.6448 -7.6094 -7.6094 -7.6024 -7.6024 -7.2474 -7.2474 -7.2017 -7.2017 -7.1519 -7.1519 -7.1463 -7.1463 -7.1332 -7.1332 -7.1235 -7.1235 -4.2405 -4.2405 -4.2353 -4.2353 2.2396 2.2396 2.2674 2.2674 5.0066 5.0066 5.0646 5.0646 5.3701 5.3701 5.4042 5.4042 10.6307 10.6307 10.7084 10.7084 11.5539 11.5539 11.6017 11.6017 k = 0.1481 0.2566 0.3053 ( 2832 PWs) bands (ev): -7.6726 -7.6726 -7.6444 -7.6444 -7.6096 -7.6096 -7.6030 -7.6030 -7.2468 -7.2468 -7.2017 -7.2017 -7.1519 -7.1519 -7.1468 -7.1468 -7.1331 -7.1331 -7.1240 -7.1240 -4.2913 -4.2913 -4.2860 -4.2860 2.3345 2.3345 2.3625 2.3625 5.0166 5.0166 5.0704 5.0704 5.4596 5.4596 5.4899 5.4899 10.6476 10.6476 10.7335 10.7335 11.4978 11.4978 11.5556 11.5556 k = 0.1420 0.2459 0.3053 ( 2820 PWs) bands (ev): -7.6714 -7.6714 -7.6439 -7.6439 -7.6099 -7.6099 -7.6036 -7.6036 -7.2460 -7.2460 -7.2017 -7.2017 -7.1519 -7.1519 -7.1473 -7.1473 -7.1328 -7.1328 -7.1244 -7.1244 -4.3408 -4.3408 -4.3353 -4.3353 2.4267 2.4267 2.4548 2.4548 5.0294 5.0294 5.0813 5.0813 5.5498 5.5498 5.5787 5.5787 10.6579 10.6579 10.7521 10.7521 11.4452 11.4452 11.5135 11.5135 k = 0.1358 0.2352 0.3053 ( 2828 PWs) bands (ev): -7.6702 -7.6702 -7.6434 -7.6434 -7.6102 -7.6102 -7.6042 -7.6042 -7.2452 -7.2452 -7.2017 -7.2017 -7.1520 -7.1520 -7.1478 -7.1478 -7.1326 -7.1326 -7.1249 -7.1249 -4.3888 -4.3888 -4.3833 -4.3833 2.5154 2.5154 2.5436 2.5436 5.0475 5.0475 5.0987 5.0987 5.6399 5.6399 5.6681 5.6681 10.6610 10.6610 10.7629 10.7629 11.3978 11.3978 11.4759 11.4759 k = 0.1296 0.2245 0.3053 ( 2828 PWs) bands (ev): -7.6690 -7.6690 -7.6429 -7.6429 -7.6106 -7.6106 -7.6049 -7.6049 -7.2444 -7.2444 -7.2018 -7.2018 -7.1521 -7.1521 -7.1483 -7.1483 -7.1324 -7.1324 -7.1253 -7.1253 -4.4352 -4.4352 -4.4297 -4.4297 2.5997 2.5997 2.6280 2.6280 5.0726 5.0726 5.1235 5.1235 5.7291 5.7291 5.7570 5.7570 10.6560 10.6560 10.7641 10.7641 11.3575 11.3575 11.4439 11.4439 k = 0.1235 0.2138 0.3053 ( 2826 PWs) bands (ev): -7.6677 -7.6677 -7.6424 -7.6424 -7.6110 -7.6110 -7.6055 -7.6055 -7.2436 -7.2436 -7.2018 -7.2018 -7.1522 -7.1522 -7.1487 -7.1487 -7.1322 -7.1322 -7.1258 -7.1258 -4.4800 -4.4800 -4.4745 -4.4745 2.6790 2.6790 2.7073 2.7073 5.1058 5.1058 5.1566 5.1566 5.8171 5.8171 5.8446 5.8446 10.6424 10.6424 10.7541 10.7541 11.3266 11.3266 11.4185 11.4185 k = 0.1173 0.2031 0.3053 ( 2822 PWs) bands (ev): -7.6664 -7.6664 -7.6419 -7.6419 -7.6114 -7.6114 -7.6062 -7.6062 -7.2426 -7.2426 -7.2019 -7.2019 -7.1524 -7.1524 -7.1491 -7.1491 -7.1319 -7.1319 -7.1262 -7.1262 -4.5231 -4.5231 -4.5176 -4.5176 2.7527 2.7527 2.7807 2.7807 5.1478 5.1478 5.1985 5.1985 5.9032 5.9032 5.9303 5.9303 10.6194 10.6194 10.7311 10.7311 11.3069 11.3069 11.4005 11.4005 k = 0.1111 0.1925 0.3053 ( 2826 PWs) bands (ev): -7.6651 -7.6651 -7.6414 -7.6414 -7.6119 -7.6119 -7.6069 -7.6069 -7.2417 -7.2417 -7.2021 -7.2021 -7.1526 -7.1526 -7.1495 -7.1495 -7.1317 -7.1317 -7.1266 -7.1266 -4.5644 -4.5644 -4.5589 -4.5589 2.8201 2.8201 2.8477 2.8477 5.1993 5.1993 5.2498 5.2498 5.9871 5.9871 6.0137 6.0137 10.5866 10.5866 10.6947 10.6947 11.2989 11.2989 11.3905 11.3905 k = 0.1049 0.1818 0.3053 ( 2830 PWs) bands (ev): -7.6638 -7.6638 -7.6409 -7.6409 -7.6124 -7.6124 -7.6076 -7.6076 -7.2407 -7.2407 -7.2023 -7.2023 -7.1528 -7.1528 -7.1499 -7.1499 -7.1314 -7.1314 -7.1270 -7.1270 -4.6038 -4.6038 -4.5983 -4.5983 2.8811 2.8811 2.9080 2.9080 5.2604 5.2604 5.3105 5.3105 6.0684 6.0684 6.0943 6.0943 10.5439 10.5439 10.6454 10.6454 11.3024 11.3024 11.3888 11.3888 k = 0.0988 0.1711 0.3053 ( 2828 PWs) bands (ev): -7.6625 -7.6625 -7.6404 -7.6404 -7.6129 -7.6129 -7.6084 -7.6084 -7.2396 -7.2396 -7.2025 -7.2025 -7.1531 -7.1531 -7.1502 -7.1502 -7.1312 -7.1312 -7.1274 -7.1274 -4.6412 -4.6412 -4.6358 -4.6358 2.9354 2.9354 2.9614 2.9614 5.3311 5.3311 5.3806 5.3806 6.1467 6.1467 6.1719 6.1719 10.4914 10.4914 10.5845 10.5845 11.3159 11.3159 11.3952 11.3952 k = 0.0926 0.1604 0.3053 ( 2832 PWs) bands (ev): -7.6611 -7.6611 -7.6399 -7.6399 -7.6134 -7.6134 -7.6092 -7.6092 -7.2384 -7.2384 -7.2028 -7.2028 -7.1534 -7.1534 -7.1505 -7.1505 -7.1309 -7.1309 -7.1277 -7.1277 -4.6766 -4.6766 -4.6714 -4.6714 2.9832 2.9832 3.0081 3.0081 5.4110 5.4110 5.4597 5.4597 6.2218 6.2218 6.2460 6.2460 10.4294 10.4294 10.5135 10.5135 11.3380 11.3380 11.4093 11.4093 k = 0.0864 0.1497 0.3053 ( 2832 PWs) bands (ev): -7.6597 -7.6597 -7.6394 -7.6394 -7.6139 -7.6139 -7.6101 -7.6101 -7.2372 -7.2372 -7.2031 -7.2031 -7.1537 -7.1537 -7.1508 -7.1508 -7.1306 -7.1306 -7.1279 -7.1279 -4.7100 -4.7100 -4.7049 -4.7049 3.0246 3.0246 3.0482 3.0482 5.4996 5.4996 5.5472 5.5472 6.2933 6.2933 6.3166 6.3166 10.3583 10.3583 10.4335 10.4335 11.3671 11.3671 11.4305 11.4305 k = 0.0802 0.1390 0.3053 ( 2826 PWs) bands (ev): -7.6583 -7.6583 -7.6389 -7.6389 -7.6144 -7.6144 -7.6109 -7.6109 -7.2359 -7.2359 -7.2035 -7.2035 -7.1540 -7.1540 -7.1511 -7.1511 -7.1304 -7.1304 -7.1282 -7.1282 -4.7412 -4.7412 -4.7363 -4.7363 3.0601 3.0601 3.0822 3.0822 5.5959 5.5959 5.6423 5.6423 6.3611 6.3611 6.3832 6.3832 10.2786 10.2786 10.3456 10.3456 11.4022 11.4022 11.4579 11.4579 k = 0.0741 0.1283 0.3053 ( 2826 PWs) bands (ev): -7.6569 -7.6569 -7.6385 -7.6385 -7.6150 -7.6150 -7.6118 -7.6118 -7.2346 -7.2346 -7.2040 -7.2040 -7.1543 -7.1543 -7.1514 -7.1514 -7.1301 -7.1301 -7.1284 -7.1284 -4.7703 -4.7703 -4.7656 -4.7656 3.0902 3.0902 3.1106 3.1106 5.6987 5.6987 5.7438 5.7438 6.4249 6.4249 6.4458 6.4458 10.1911 10.1911 10.2507 10.2507 11.4421 11.4421 11.4909 11.4909 k = 0.0679 0.1176 0.3053 ( 2822 PWs) bands (ev): -7.6554 -7.6554 -7.6381 -7.6381 -7.6155 -7.6155 -7.6128 -7.6128 -7.2332 -7.2332 -7.2045 -7.2045 -7.1545 -7.1545 -7.1517 -7.1517 -7.1299 -7.1299 -7.1285 -7.1285 -4.7972 -4.7972 -4.7927 -4.7927 3.1154 3.1154 3.1341 3.1341 5.8069 5.8069 5.8504 5.8504 6.4846 6.4846 6.5042 6.5042 10.0966 10.0966 10.1497 10.1497 11.4860 11.4860 11.5286 11.5286 k = 0.0617 0.1069 0.3053 ( 2830 PWs) bands (ev): -7.6540 -7.6540 -7.6378 -7.6378 -7.6161 -7.6161 -7.6137 -7.6137 -7.2317 -7.2317 -7.2052 -7.2052 -7.1548 -7.1548 -7.1521 -7.1521 -7.1297 -7.1297 -7.1286 -7.1286 -4.8218 -4.8218 -4.8176 -4.8176 3.1362 3.1362 3.1532 3.1532 5.9189 5.9189 5.9607 5.9607 6.5401 6.5401 6.5583 6.5583 9.9962 9.9962 10.0436 10.0436 11.5328 11.5328 11.5698 11.5698 k = 0.0556 0.0962 0.3053 ( 2826 PWs) bands (ev): -7.6525 -7.6525 -7.6375 -7.6375 -7.6166 -7.6166 -7.6147 -7.6147 -7.2302 -7.2302 -7.2059 -7.2059 -7.1550 -7.1550 -7.1524 -7.1524 -7.1295 -7.1295 -7.1287 -7.1287 -4.8442 -4.8442 -4.8402 -4.8402 3.1534 3.1534 3.1686 3.1686 6.0327 6.0327 6.0727 6.0728 6.5916 6.5916 6.6082 6.6082 9.8912 9.8912 9.9336 9.9336 11.5816 11.5816 11.6136 11.6136 k = 0.0494 0.0855 0.3053 ( 2830 PWs) bands (ev): -7.6511 -7.6511 -7.6373 -7.6373 -7.6172 -7.6172 -7.6156 -7.6156 -7.2287 -7.2287 -7.2067 -7.2067 -7.1552 -7.1552 -7.1527 -7.1527 -7.1293 -7.1293 -7.1288 -7.1288 -4.8642 -4.8642 -4.8606 -4.8606 3.1673 3.1673 3.1808 3.1808 6.1464 6.1464 6.1844 6.1844 6.6391 6.6391 6.6542 6.6542 9.7836 9.7836 9.8216 9.8216 11.6311 11.6311 11.6586 11.6586 k = 0.0432 0.0748 0.3053 ( 2834 PWs) bands (ev): -7.6496 -7.6496 -7.6372 -7.6372 -7.6177 -7.6177 -7.6165 -7.6165 -7.2272 -7.2272 -7.2076 -7.2076 -7.1553 -7.1553 -7.1531 -7.1531 -7.1292 -7.1292 -7.1288 -7.1288 -4.8819 -4.8819 -4.8787 -4.8787 3.1786 3.1786 3.1903 3.1903 6.2574 6.2574 6.2930 6.2930 6.6831 6.6831 6.6964 6.6964 9.6757 9.6757 9.7095 9.7095 11.6801 11.6801 11.7034 11.7034 k = 0.0370 0.0642 0.3053 ( 2826 PWs) bands (ev): -7.6481 -7.6481 -7.6372 -7.6372 -7.6181 -7.6181 -7.6173 -7.6173 -7.2256 -7.2256 -7.2086 -7.2086 -7.1554 -7.1554 -7.1534 -7.1534 -7.1290 -7.1290 -7.1288 -7.1288 -4.8973 -4.8973 -4.8945 -4.8945 3.1876 3.1876 3.1975 3.1975 6.3626 6.3626 6.3953 6.3953 6.7242 6.7242 6.7356 6.7356 9.5702 9.5702 9.6000 9.6000 11.7267 11.7267 11.7461 11.7461 k = 0.0309 0.0535 0.3053 ( 2822 PWs) bands (ev): -7.6467 -7.6467 -7.6374 -7.6374 -7.6186 -7.6186 -7.6180 -7.6180 -7.2239 -7.2239 -7.2096 -7.2096 -7.1554 -7.1554 -7.1537 -7.1537 -7.1289 -7.1289 -7.1288 -7.1288 -4.9103 -4.9103 -4.9079 -4.9079 3.1947 3.1947 3.2029 3.2029 6.4581 6.4581 6.4871 6.4871 6.7634 6.7634 6.7725 6.7725 9.4706 9.4706 9.4963 9.4963 11.7690 11.7690 11.7845 11.7845 k = 0.0247 0.0428 0.3053 ( 2826 PWs) bands (ev): -7.6453 -7.6453 -7.6377 -7.6377 -7.6190 -7.6190 -7.6187 -7.6187 -7.2224 -7.2224 -7.2108 -7.2108 -7.1554 -7.1554 -7.1540 -7.1540 -7.1289 -7.1289 -7.1288 -7.1288 -4.9209 -4.9209 -4.9189 -4.9189 3.2002 3.2002 3.2068 3.2068 6.5398 6.5398 6.5639 6.5639 6.8017 6.8017 6.8081 6.8081 9.3805 9.3805 9.4019 9.4019 11.8043 11.8043 11.8157 11.8157 k = 0.0185 0.0321 0.3053 ( 2830 PWs) bands (ev): -7.6440 -7.6440 -7.6381 -7.6381 -7.6193 -7.6193 -7.6192 -7.6192 -7.2208 -7.2208 -7.2120 -7.2120 -7.1554 -7.1554 -7.1543 -7.1543 -7.1288 -7.1288 -7.1288 -7.1288 -4.9291 -4.9291 -4.9276 -4.9276 3.2045 3.2045 3.2094 3.2094 6.6038 6.6038 6.6218 6.6218 6.8389 6.8389 6.8424 6.8424 9.3045 9.3045 9.3212 9.3212 11.8294 11.8294 11.8366 11.8366 k = 0.0123 0.0214 0.3053 ( 2830 PWs) bands (ev): -7.6427 -7.6427 -7.6387 -7.6387 -7.6195 -7.6195 -7.6195 -7.6195 -7.2192 -7.2192 -7.2134 -7.2134 -7.1553 -7.1553 -7.1546 -7.1546 -7.1288 -7.1288 -7.1288 -7.1288 -4.9348 -4.9348 -4.9339 -4.9339 3.2076 3.2076 3.2109 3.2109 6.6484 6.6484 6.6600 6.6600 6.8717 6.8717 6.8730 6.8730 9.2468 9.2468 9.2583 9.2583 11.8427 11.8427 11.8463 11.8463 k = 0.0062 0.0107 0.3053 ( 2834 PWs) bands (ev): -7.6415 -7.6415 -7.6395 -7.6395 -7.6197 -7.6197 -7.6197 -7.6197 -7.2177 -7.2177 -7.2147 -7.2147 -7.1552 -7.1552 -7.1548 -7.1548 -7.1288 -7.1288 -7.1288 -7.1288 -4.9382 -4.9382 -4.9377 -4.9377 3.2097 3.2097 3.2114 3.2114 6.6747 6.6747 6.6803 6.6803 6.8947 6.8947 6.8949 6.8949 9.2115 9.2115 9.2174 9.2174 11.8470 11.8470 11.8484 11.8484 k = 0.0000 0.0000 0.3053 ( 2834 PWs) bands (ev): -7.6405 -7.6405 -7.6405 -7.6405 -7.6198 -7.6198 -7.6198 -7.6198 -7.2162 -7.2162 -7.2162 -7.2162 -7.1550 -7.1550 -7.1550 -7.1550 -7.1287 -7.1287 -7.1287 -7.1287 -4.9392 -4.9392 -4.9392 -4.9392 3.2110 3.2110 3.2110 3.2110 6.6850 6.6850 6.6850 6.6850 6.9029 6.9029 6.9029 6.9029 9.2014 9.2014 9.2014 9.2014 11.8480 11.8480 11.8480 11.8480 k = 0.5000 0.2887 0.3053 ( 2832 PWs) bands (ev): -7.6706 -7.6706 -7.6706 -7.6706 -7.6033 -7.6033 -7.6033 -7.6033 -7.2259 -7.2259 -7.2259 -7.2259 -7.1509 -7.1509 -7.1509 -7.1509 -7.1197 -7.1197 -7.1197 -7.1197 -3.3651 -3.3651 -3.3651 -3.3651 0.5057 0.5057 0.5057 0.5057 5.1955 5.1955 5.1955 5.1955 5.3313 5.3313 5.3313 5.3313 8.9370 8.9370 8.9370 8.9370 10.4555 10.4555 10.4555 10.4555 k = 0.5000 0.2887 0.2931 ( 2826 PWs) bands (ev): -7.6721 -7.6721 -7.6691 -7.6691 -7.6040 -7.6040 -7.6026 -7.6026 -7.2282 -7.2282 -7.2236 -7.2236 -7.1515 -7.1515 -7.1502 -7.1502 -7.1203 -7.1203 -7.1191 -7.1191 -3.3939 -3.3939 -3.3361 -3.3361 0.4724 0.4724 0.5418 0.5418 5.1115 5.1115 5.2453 5.2453 5.2940 5.2940 5.3963 5.3963 8.8816 8.8816 8.9894 8.9894 10.4583 10.4583 10.4717 10.4717 k = 0.5000 0.2887 0.2809 ( 2822 PWs) bands (ev): -7.6736 -7.6736 -7.6675 -7.6675 -7.6047 -7.6047 -7.6019 -7.6019 -7.2304 -7.2304 -7.2213 -7.2213 -7.1521 -7.1521 -7.1496 -7.1496 -7.1208 -7.1208 -7.1186 -7.1186 -3.4225 -3.4225 -3.3072 -3.3072 0.4422 0.4422 0.5806 0.5806 5.0151 5.0151 5.2050 5.2050 5.3423 5.3423 5.4647 5.4647 8.8280 8.8280 9.0348 9.0348 10.4829 10.4829 10.5040 10.5040 k = 0.5000 0.2887 0.2687 ( 2826 PWs) bands (ev): -7.6752 -7.6752 -7.6660 -7.6660 -7.6054 -7.6054 -7.6012 -7.6012 -7.2327 -7.2327 -7.2190 -7.2190 -7.1527 -7.1527 -7.1490 -7.1490 -7.1215 -7.1215 -7.1181 -7.1181 -3.4507 -3.4507 -3.2784 -3.2784 0.4150 0.4150 0.6220 0.6220 4.9106 4.9106 5.1554 5.1554 5.3975 5.3975 5.5298 5.5298 8.7803 8.7803 9.0698 9.0698 10.5308 10.5308 10.5499 10.5499 k = 0.5000 0.2887 0.2564 ( 2832 PWs) bands (ev): -7.6767 -7.6767 -7.6645 -7.6645 -7.6061 -7.6061 -7.6006 -7.6006 -7.2349 -7.2349 -7.2168 -7.2168 -7.1533 -7.1533 -7.1483 -7.1483 -7.1221 -7.1221 -7.1176 -7.1176 -3.4784 -3.4784 -3.2498 -3.2498 0.3910 0.3910 0.6658 0.6658 4.8009 4.8009 5.1078 5.1078 5.4490 5.4490 5.5878 5.5878 8.7424 8.7424 9.0928 9.0928 10.5988 10.5988 10.6109 10.6109 k = 0.5000 0.2887 0.2442 ( 2836 PWs) bands (ev): -7.6781 -7.6781 -7.6631 -7.6631 -7.6068 -7.6068 -7.5999 -7.5999 -7.2371 -7.2371 -7.2146 -7.2146 -7.1539 -7.1539 -7.1477 -7.1477 -7.1228 -7.1228 -7.1171 -7.1171 -3.5054 -3.5054 -3.2217 -3.2217 0.3702 0.3702 0.7117 0.7117 4.6878 4.6878 5.0624 5.0624 5.4962 5.4962 5.6367 5.6367 8.7174 8.7174 9.1039 9.1039 10.6676 10.6676 10.7030 10.7030 k = 0.5000 0.2887 0.2320 ( 2832 PWs) bands (ev): -7.6796 -7.6796 -7.6616 -7.6616 -7.6075 -7.6075 -7.5993 -7.5993 -7.2393 -7.2393 -7.2124 -7.2124 -7.1545 -7.1545 -7.1470 -7.1470 -7.1234 -7.1234 -7.1167 -7.1167 -3.5318 -3.5318 -3.1941 -3.1941 0.3526 0.3526 0.7595 0.7595 4.5730 4.5730 5.0191 5.0191 5.5368 5.5368 5.6775 5.6775 8.7076 8.7076 9.1044 9.1044 10.7398 10.7398 10.8199 10.8199 k = 0.5000 0.2887 0.2198 ( 2824 PWs) bands (ev): -7.6810 -7.6810 -7.6601 -7.6601 -7.6081 -7.6081 -7.5986 -7.5986 -7.2413 -7.2413 -7.2103 -7.2103 -7.1551 -7.1551 -7.1464 -7.1464 -7.1240 -7.1240 -7.1163 -7.1163 -3.5573 -3.5573 -3.1671 -3.1671 0.3384 0.3384 0.8091 0.8091 4.4575 4.4575 4.9778 4.9778 5.5666 5.5666 5.7135 5.7135 8.7143 8.7143 9.0963 9.0963 10.8170 10.8170 10.9555 10.9555 k = 0.5000 0.2887 0.2076 ( 2818 PWs) bands (ev): -7.6823 -7.6823 -7.6587 -7.6587 -7.6088 -7.6088 -7.5980 -7.5980 -7.2434 -7.2434 -7.2082 -7.2082 -7.1556 -7.1556 -7.1457 -7.1457 -7.1247 -7.1247 -7.1159 -7.1159 -3.5820 -3.5820 -3.1410 -3.1410 0.3273 0.3273 0.8601 0.8601 4.3424 4.3424 4.9385 4.9385 5.5806 5.5806 5.7498 5.7498 8.7379 8.7379 9.0817 9.0817 10.8983 10.8983 11.1068 11.1068 k = 0.5000 0.2887 0.1954 ( 2812 PWs) bands (ev): -7.6836 -7.6836 -7.6573 -7.6573 -7.6094 -7.6094 -7.5974 -7.5974 -7.2453 -7.2453 -7.2061 -7.2061 -7.1562 -7.1562 -7.1450 -7.1450 -7.1253 -7.1253 -7.1156 -7.1156 -3.6056 -3.6056 -3.1158 -3.1158 0.3195 0.3195 0.9122 0.9122 4.2285 4.2285 4.9013 4.9013 5.5764 5.5764 5.7896 5.7896 8.7780 8.7780 9.0627 9.0627 10.9823 10.9823 11.2711 11.2711 k = 0.5000 0.2887 0.1832 ( 2816 PWs) bands (ev): -7.6849 -7.6849 -7.6560 -7.6560 -7.6101 -7.6101 -7.5968 -7.5968 -7.2472 -7.2472 -7.2042 -7.2042 -7.1567 -7.1567 -7.1444 -7.1444 -7.1259 -7.1259 -7.1153 -7.1153 -3.6282 -3.6282 -3.0917 -3.0917 0.3146 0.3146 0.9651 0.9651 4.1165 4.1165 4.8660 4.8660 5.5556 5.5556 5.8326 5.8326 8.8333 8.8333 9.0410 9.0410 11.0677 11.0677 11.4463 11.4463 k = 0.5000 0.2887 0.1710 ( 2816 PWs) bands (ev): -7.6861 -7.6861 -7.6547 -7.6547 -7.6107 -7.6107 -7.5962 -7.5962 -7.2491 -7.2491 -7.2023 -7.2023 -7.1573 -7.1573 -7.1437 -7.1437 -7.1266 -7.1266 -7.1150 -7.1150 -3.6496 -3.6496 -3.0687 -3.0687 0.3127 0.3127 1.0185 1.0185 4.0072 4.0072 4.8328 4.8328 5.5212 5.5212 5.8773 5.8773 8.9014 8.9014 9.0185 9.0185 11.1529 11.1529 11.6304 11.6304 k = 0.5000 0.2887 0.1588 ( 2816 PWs) bands (ev): -7.6873 -7.6873 -7.6535 -7.6535 -7.6113 -7.6113 -7.5957 -7.5957 -7.2508 -7.2508 -7.2005 -7.2005 -7.1578 -7.1578 -7.1430 -7.1430 -7.1272 -7.1272 -7.1148 -7.1148 -3.6698 -3.6698 -3.0470 -3.0470 0.3135 0.3135 1.0718 1.0718 3.9013 3.9013 4.8016 4.8016 5.4766 5.4766 5.9224 5.9224 8.9693 8.9693 9.0076 9.0076 11.2361 11.2361 11.8219 11.8219 k = 0.5000 0.2887 0.1465 ( 2818 PWs) bands (ev): -7.6884 -7.6884 -7.6523 -7.6523 -7.6119 -7.6119 -7.5952 -7.5952 -7.2524 -7.2524 -7.1988 -7.1988 -7.1584 -7.1584 -7.1424 -7.1424 -7.1278 -7.1278 -7.1146 -7.1146 -3.6888 -3.6888 -3.0266 -3.0266 0.3168 0.3168 1.1248 1.1248 3.7994 3.7994 4.7726 4.7726 5.4246 5.4246 5.9669 5.9669 8.9632 8.9632 9.0805 9.0805 11.3153 11.3153 12.0196 12.0196 k = 0.5000 0.2887 0.1343 ( 2822 PWs) bands (ev): -7.6894 -7.6894 -7.6512 -7.6512 -7.6125 -7.6125 -7.5947 -7.5947 -7.2540 -7.2540 -7.1972 -7.1972 -7.1589 -7.1589 -7.1417 -7.1417 -7.1284 -7.1284 -7.1145 -7.1145 -3.7064 -3.7064 -3.0077 -3.0077 0.3223 0.3223 1.1768 1.1768 3.7022 3.7022 4.7458 4.7458 5.3678 5.3678 6.0100 6.0100 8.9410 8.9410 9.1780 9.1780 11.3880 11.3880 12.2220 12.2220 k = 0.5000 0.2887 0.1221 ( 2820 PWs) bands (ev): -7.6903 -7.6903 -7.6502 -7.6502 -7.6130 -7.6130 -7.5942 -7.5942 -7.2554 -7.2554 -7.1957 -7.1957 -7.1594 -7.1594 -7.1411 -7.1411 -7.1290 -7.1290 -7.1143 -7.1143 -3.7227 -3.7227 -2.9902 -2.9902 0.3296 0.3296 1.2275 1.2275 3.6103 3.6103 4.7211 4.7211 5.3083 5.3083 6.0512 6.0512 8.9189 8.9189 9.2824 9.2824 11.4513 11.4513 12.4279 12.4279 k = 0.5000 0.2887 0.1099 ( 2818 PWs) bands (ev): -7.6912 -7.6912 -7.6492 -7.6492 -7.6135 -7.6135 -7.5938 -7.5938 -7.2567 -7.2567 -7.1943 -7.1943 -7.1598 -7.1598 -7.1404 -7.1404 -7.1296 -7.1296 -7.1142 -7.1142 -3.7375 -3.7375 -2.9743 -2.9743 0.3383 0.3383 1.2761 1.2761 3.5244 3.5244 4.6986 4.6986 5.2483 5.2483 6.0900 6.0900 8.8979 8.8979 9.3908 9.3908 11.5022 11.5022 12.5391 12.5391 k = 0.5000 0.2887 0.0977 ( 2826 PWs) bands (ev): -7.6920 -7.6920 -7.6483 -7.6483 -7.6140 -7.6140 -7.5935 -7.5935 -7.2579 -7.2579 -7.1930 -7.1930 -7.1603 -7.1603 -7.1398 -7.1398 -7.1302 -7.1302 -7.1141 -7.1141 -3.7509 -3.7509 -2.9599 -2.9599 0.3481 0.3481 1.3222 1.3222 3.4450 3.4450 4.6785 4.6785 5.1895 5.1895 6.1261 6.1261 8.8785 8.8785 9.5012 9.5012 11.5380 11.5380 12.4612 12.4612 k = 0.5000 0.2887 0.0855 ( 2826 PWs) bands (ev): -7.6927 -7.6927 -7.6475 -7.6475 -7.6144 -7.6144 -7.5931 -7.5931 -7.2590 -7.2590 -7.1919 -7.1919 -7.1607 -7.1607 -7.1392 -7.1392 -7.1308 -7.1308 -7.1141 -7.1141 -3.7628 -3.7628 -2.9472 -2.9472 0.3584 0.3584 1.3649 1.3649 3.3730 3.3730 4.6605 4.6605 5.1336 5.1336 6.1589 6.1589 8.8610 8.8610 9.6113 9.6113 11.5568 11.5568 12.3906 12.3906 k = 0.5000 0.2887 0.0733 ( 2824 PWs) bands (ev): -7.6933 -7.6933 -7.6468 -7.6468 -7.6148 -7.6148 -7.5928 -7.5928 -7.2599 -7.2599 -7.1908 -7.1908 -7.1611 -7.1611 -7.1386 -7.1386 -7.1313 -7.1313 -7.1140 -7.1140 -3.7731 -3.7731 -2.9362 -2.9362 0.3687 0.3687 1.4038 1.4038 3.3089 3.3089 4.6449 4.6449 5.0820 5.0820 6.1881 6.1881 8.8456 8.8456 9.7188 9.7188 11.5584 11.5584 12.3284 12.3284 k = 0.5000 0.2887 0.0611 ( 2828 PWs) bands (ev): -7.6939 -7.6939 -7.6462 -7.6462 -7.6152 -7.6152 -7.5926 -7.5926 -7.2607 -7.2607 -7.1900 -7.1900 -7.1614 -7.1614 -7.1380 -7.1380 -7.1319 -7.1319 -7.1140 -7.1140 -3.7819 -3.7819 -2.9268 -2.9268 0.3785 0.3785 1.4382 1.4382 3.2534 3.2534 4.6316 4.6316 5.0360 5.0360 6.2135 6.2135 8.8324 8.8324 9.8210 9.8210 11.5444 11.5444 12.2750 12.2750 k = 0.5000 0.2887 0.0488 ( 2828 PWs) bands (ev): -7.6943 -7.6943 -7.6456 -7.6456 -7.6155 -7.6155 -7.5924 -7.5924 -7.2613 -7.2613 -7.1892 -7.1892 -7.1617 -7.1617 -7.1374 -7.1374 -7.1324 -7.1324 -7.1140 -7.1140 -3.7891 -3.7891 -2.9192 -2.9192 0.3874 0.3874 1.4673 1.4673 3.2070 3.2070 4.6207 4.6207 4.9967 4.9967 6.2347 6.2347 8.8214 8.8214 9.9144 9.9144 11.5192 11.5192 12.2309 12.2309 k = 0.5000 0.2887 0.0366 ( 2818 PWs) bands (ev): -7.6946 -7.6946 -7.6452 -7.6452 -7.6157 -7.6157 -7.5922 -7.5922 -7.2618 -7.2618 -7.1886 -7.1886 -7.1619 -7.1619 -7.1368 -7.1368 -7.1329 -7.1329 -7.1140 -7.1140 -3.7948 -3.7948 -2.9132 -2.9132 0.3949 0.3949 1.4906 1.4906 3.1703 3.1703 4.6121 4.6121 4.9651 4.9651 6.2515 6.2515 8.8128 8.8128 9.9950 9.9950 11.4884 11.4884 12.1962 12.1962 k = 0.5000 0.2887 0.0244 ( 2826 PWs) bands (ev): -7.6949 -7.6949 -7.6449 -7.6449 -7.6159 -7.6159 -7.5921 -7.5921 -7.2622 -7.2622 -7.1882 -7.1882 -7.1621 -7.1621 -7.1363 -7.1363 -7.1334 -7.1334 -7.1140 -7.1140 -3.7988 -3.7988 -2.9089 -2.9089 0.4005 0.4005 1.5077 1.5077 3.1437 3.1437 4.6060 4.6060 4.9420 4.9420 6.2636 6.2636 8.8066 8.8066 10.0581 10.0581 11.4591 11.4591 12.1713 12.1713 k = 0.5000 0.2887 0.0122 ( 2830 PWs) bands (ev): -7.6951 -7.6951 -7.6448 -7.6448 -7.6160 -7.6160 -7.5921 -7.5921 -7.2625 -7.2625 -7.1880 -7.1880 -7.1622 -7.1622 -7.1359 -7.1359 -7.1338 -7.1338 -7.1140 -7.1140 -3.8012 -3.8012 -2.9064 -2.9064 0.4040 0.4040 1.5181 1.5181 3.1276 3.1276 4.6023 4.6023 4.9279 4.9279 6.2709 6.2709 8.8029 8.8029 10.0987 10.0987 11.4379 11.4379 12.1563 12.1563 k = 0.5000 0.2887-0.0000 ( 2834 PWs) bands (ev): -7.6951 -7.6951 -7.6447 -7.6447 -7.6160 -7.6160 -7.5920 -7.5920 -7.2625 -7.2625 -7.1879 -7.1879 -7.1623 -7.1623 -7.1357 -7.1357 -7.1339 -7.1339 -7.1140 -7.1140 -3.8020 -3.8020 -2.9055 -2.9055 0.4052 0.4052 1.5216 1.5216 3.1223 3.1223 4.6010 4.6010 4.9232 4.9232 6.2734 6.2734 8.8017 8.8017 10.1127 10.1127 11.4302 11.4302 12.1513 12.1513 k = 0.3333 0.5774-0.0000 ( 2844 PWs) bands (ev): -7.6959 -7.6959 -7.6897 -7.6108 -7.6108 -7.5952 -7.5886 -7.5886 -7.3310 -7.2158 -7.1894 -7.1894 -7.1603 -7.1603 -7.1379 -7.1331 -7.1331 -7.1318 -7.1174 -7.1174 -3.1470 -3.1448 -3.1448 -3.1426 1.0124 1.0658 1.0919 1.0919 2.6321 2.6321 4.1904 4.2357 4.2357 4.2532 4.5382 4.5382 9.6313 9.6313 12.5378 12.7743 12.7743 12.7916 14.1412 14.3062 k = 0.3333 0.5774 0.0122 ( 2841 PWs) bands (ev): -7.6959 -7.6959 -7.6896 -7.6108 -7.6108 -7.5953 -7.5886 -7.5886 -7.3308 -7.2159 -7.1895 -7.1895 -7.1602 -7.1602 -7.1379 -7.1331 -7.1331 -7.1318 -7.1174 -7.1174 -3.1467 -3.1445 -3.1445 -3.1424 1.0098 1.0631 1.0893 1.0893 2.6333 2.6333 4.1958 4.2406 4.2406 4.2584 4.5356 4.5356 9.6371 9.6371 12.5236 12.7569 12.7569 12.7739 14.1170 14.2810 k = 0.3333 0.5774 0.0244 ( 2841 PWs) bands (ev): -7.6959 -7.6959 -7.6894 -7.6108 -7.6108 -7.5957 -7.5886 -7.5886 -7.3303 -7.2161 -7.1897 -7.1897 -7.1600 -7.1600 -7.1379 -7.1331 -7.1331 -7.1319 -7.1174 -7.1174 -3.1460 -3.1438 -3.1438 -3.1417 1.0023 1.0549 1.0814 1.0814 2.6372 2.6372 4.2120 4.2548 4.2548 4.2739 4.5281 4.5281 9.6542 9.6542 12.4815 12.7056 12.7056 12.7215 14.0616 14.2238 k = 0.3333 0.5774 0.0366 ( 2847 PWs) bands (ev): -7.6959 -7.6959 -7.6890 -7.6107 -7.6107 -7.5964 -7.5886 -7.5886 -7.3295 -7.2165 -7.1901 -7.1901 -7.1597 -7.1597 -7.1380 -7.1332 -7.1332 -7.1320 -7.1174 -7.1174 -3.1447 -3.1426 -3.1426 -3.1405 0.9900 1.0416 1.0685 1.0685 2.6436 2.6436 4.2385 4.2776 4.2776 4.2995 4.5163 4.5163 9.6826 9.6826 12.4126 12.6228 12.6228 12.6367 14.0008 14.1612 k = 0.3333 0.5774 0.0488 ( 2847 PWs) bands (ev): -7.6958 -7.6958 -7.6885 -7.6106 -7.6106 -7.5973 -7.5886 -7.5886 -7.3283 -7.2170 -7.1906 -7.1906 -7.1593 -7.1593 -7.1381 -7.1332 -7.1332 -7.1321 -7.1174 -7.1174 -3.1430 -3.1410 -3.1410 -3.1389 0.9732 1.0235 1.0509 1.0509 2.6525 2.6525 4.2750 4.3068 4.3068 4.3348 4.5024 4.5024 9.7220 9.7220 12.3191 12.5126 12.5126 12.5236 13.9482 14.0936 k = 0.3333 0.5774 0.0611 ( 2853 PWs) bands (ev): -7.6958 -7.6958 -7.6879 -7.6106 -7.6106 -7.5985 -7.5886 -7.5886 -7.3268 -7.2176 -7.1912 -7.1912 -7.1588 -7.1588 -7.1382 -7.1333 -7.1333 -7.1322 -7.1174 -7.1174 -3.1409 -3.1389 -3.1389 -3.1368 0.9524 1.0010 1.0292 1.0292 2.6640 2.6640 4.3210 4.3366 4.3366 4.3793 4.4916 4.4916 9.7721 9.7721 12.2042 12.3799 12.3799 12.3876 13.9075 14.0346 k = 0.3333 0.5774 0.0733 ( 2853 PWs) bands (ev): -7.6958 -7.6958 -7.6871 -7.6105 -7.6105 -7.5999 -7.5886 -7.5886 -7.3251 -7.2184 -7.1919 -7.1919 -7.1582 -7.1582 -7.1382 -7.1333 -7.1333 -7.1323 -7.1173 -7.1173 -3.1383 -3.1365 -3.1365 -3.1343 0.9282 0.9749 1.0038 1.0038 2.6780 2.6780 4.3537 4.3537 4.3756 4.4321 4.4971 4.4971 9.8326 9.8326 12.0717 12.2300 12.2300 12.2343 13.8784 13.9880 k = 0.3333 0.5774 0.0855 ( 2853 PWs) bands (ev): -7.6957 -7.6957 -7.6861 -7.6103 -7.6103 -7.6015 -7.5886 -7.5886 -7.3231 -7.2193 -7.1927 -7.1927 -7.1575 -7.1575 -7.1384 -7.1333 -7.1333 -7.1325 -7.1173 -7.1173 -3.1354 -3.1336 -3.1336 -3.1315 0.9012 0.9457 0.9755 0.9755 2.6945 2.6945 4.3451 4.3451 4.4381 4.4928 4.5313 4.5313 9.9031 9.9031 11.9256 12.0679 12.0679 12.0690 13.8590 13.9526 k = 0.3333 0.5774 0.0977 ( 2853 PWs) bands (ev): -7.6957 -7.6957 -7.6851 -7.6102 -7.6102 -7.6033 -7.5886 -7.5885 -7.3208 -7.2204 -7.1936 -7.1936 -7.1568 -7.1568 -7.1385 -7.1334 -7.1334 -7.1327 -7.1173 -7.1173 -3.1321 -3.1305 -3.1305 -3.1284 0.8718 0.9141 0.9449 0.9449 2.7135 2.7135 4.3172 4.3172 4.5077 4.5603 4.5877 4.5877 9.9831 9.9831 11.7694 11.8958 11.8977 11.8977 13.8473 13.9270 k = 0.3333 0.5774 0.1099 ( 2847 PWs) bands (ev): -7.6956 -7.6956 -7.6838 -7.6100 -7.6100 -7.6052 -7.5885 -7.5885 -7.3182 -7.2216 -7.1944 -7.1944 -7.1561 -7.1561 -7.1385 -7.1335 -7.1335 -7.1329 -7.1172 -7.1172 -3.1285 -3.1270 -3.1270 -3.1249 0.8408 0.8807 0.9125 0.9125 2.7349 2.7349 4.2790 4.2790 4.5834 4.6338 4.6567 4.6567 10.0721 10.0721 11.6067 11.7183 11.7227 11.7227 13.8415 13.9093 k = 0.3333 0.5774 0.1221 ( 2835 PWs) bands (ev): -7.6955 -7.6955 -7.6825 -7.6098 -7.6098 -7.6074 -7.5885 -7.5885 -7.3154 -7.2230 -7.1953 -7.1953 -7.1554 -7.1554 -7.1386 -7.1335 -7.1335 -7.1331 -7.1172 -7.1172 -3.1246 -3.1233 -3.1233 -3.1213 0.8087 0.8462 0.8790 0.8790 2.7588 2.7588 4.2348 4.2348 4.6643 4.7125 4.7335 4.7335 10.1696 10.1696 11.4402 11.5390 11.5457 11.5457 13.8403 13.8981 k = 0.3333 0.5774 0.1343 ( 2841 PWs) bands (ev): -7.6955 -7.6955 -7.6810 -7.6097 -7.6097 -7.6097 -7.5884 -7.5884 -7.3124 -7.2245 -7.1962 -7.1962 -7.1547 -7.1547 -7.1387 -7.1336 -7.1336 -7.1333 -7.1171 -7.1171 -3.1206 -3.1195 -3.1195 -3.1175 0.7762 0.8111 0.8451 0.8451 2.7851 2.7851 4.1863 4.1863 4.7495 4.7954 4.8160 4.8160 10.2751 10.2751 11.2723 11.3601 11.3687 11.3687 13.8427 13.8920 k = 0.3333 0.5774 0.1465 ( 2841 PWs) bands (ev): -7.6954 -7.6954 -7.6794 -7.6122 -7.6095 -7.6095 -7.5884 -7.5884 -7.3093 -7.2263 -7.1971 -7.1971 -7.1540 -7.1540 -7.1388 -7.1337 -7.1337 -7.1336 -7.1171 -7.1171 -3.1165 -3.1155 -3.1155 -3.1135 0.7437 0.7761 0.8112 0.8112 2.8138 2.8138 4.1346 4.1346 4.8379 4.8815 4.9023 4.9023 10.3882 10.3882 11.1051 11.1833 11.1938 11.1938 13.8477 13.8899 k = 0.3333 0.5774 0.1588 ( 2826 PWs) bands (ev): -7.6953 -7.6953 -7.6776 -7.6147 -7.6093 -7.6093 -7.5884 -7.5884 -7.3060 -7.2281 -7.1979 -7.1979 -7.1532 -7.1532 -7.1388 -7.1338 -7.1337 -7.1337 -7.1170 -7.1170 -3.1123 -3.1115 -3.1115 -3.1095 0.7118 0.7416 0.7778 0.7778 2.8448 2.8448 4.0805 4.0805 4.9286 4.9697 4.9913 4.9913 10.5082 10.5082 10.9405 11.0103 11.0226 11.0226 13.8548 13.8910 k = 0.3333 0.5774 0.1710 ( 2835 PWs) bands (ev): -7.6953 -7.6953 -7.6758 -7.6174 -7.6091 -7.6091 -7.5883 -7.5883 -7.3026 -7.2301 -7.1988 -7.1988 -7.1526 -7.1526 -7.1388 -7.1341 -7.1338 -7.1338 -7.1170 -7.1170 -3.1081 -3.1075 -3.1075 -3.1055 0.6808 0.7081 0.7455 0.7455 2.8781 2.8781 4.0244 4.0244 5.0203 5.0588 5.0817 5.0817 10.6336 10.6336 10.7800 10.8424 10.8578 10.8578 13.8633 13.8944 k = 0.3333 0.5774 0.1832 ( 2835 PWs) bands (ev): -7.6952 -7.6952 -7.6739 -7.6201 -7.6089 -7.6089 -7.5883 -7.5883 -7.2991 -7.2323 -7.1995 -7.1995 -7.1520 -7.1520 -7.1388 -7.1344 -7.1339 -7.1339 -7.1169 -7.1169 -3.1040 -3.1035 -3.1035 -3.1016 0.6513 0.6761 0.7147 0.7147 2.9136 2.9136 3.9669 3.9669 5.1118 5.1478 5.1720 5.1720 10.6253 10.6811 10.6858 10.6858 10.7789 10.7789 13.8729 13.8996 k = 0.3333 0.5774 0.1954 ( 2829 PWs) bands (ev): -7.6951 -7.6951 -7.6718 -7.6229 -7.6088 -7.6088 -7.5883 -7.5883 -7.2954 -7.2346 -7.2003 -7.2003 -7.1514 -7.1514 -7.1388 -7.1347 -7.1339 -7.1339 -7.1169 -7.1169 -3.1000 -3.0997 -3.0997 -3.0979 0.6237 0.6459 0.6857 0.6857 2.9514 2.9514 3.9083 3.9083 5.2021 5.2353 5.2611 5.2611 10.4780 10.5277 10.5400 10.5400 10.9117 10.9117 13.8831 13.8964 k = 0.3333 0.5774 0.2076 ( 2826 PWs) bands (ev): -7.6951 -7.6951 -7.6696 -7.6258 -7.6086 -7.6086 -7.5882 -7.5882 -7.2918 -7.2371 -7.2010 -7.2010 -7.1509 -7.1509 -7.1388 -7.1351 -7.1340 -7.1340 -7.1168 -7.1168 -3.0962 -3.0961 -3.0961 -3.0943 0.5982 0.6178 0.6588 0.6588 2.9912 2.9912 3.8491 3.8491 5.2895 5.3199 5.3475 5.3475 10.3397 10.3836 10.3979 10.3979 11.0558 11.0558 13.7507 13.7507 k = 0.3333 0.5774 0.2198 ( 2829 PWs) bands (ev): -7.6950 -7.6950 -7.6673 -7.6287 -7.6085 -7.6085 -7.5882 -7.5882 -7.2880 -7.2398 -7.2016 -7.2016 -7.1505 -7.1505 -7.1387 -7.1354 -7.1341 -7.1341 -7.1168 -7.1168 -3.0928 -3.0928 -3.0927 -3.0910 0.5751 0.5923 0.6344 0.6344 3.0331 3.0331 3.7896 3.7896 5.3727 5.4001 5.4296 5.4296 10.2119 10.2503 10.2662 10.2662 11.2055 11.2055 13.5935 13.5935 k = 0.3333 0.5774 0.2320 ( 2820 PWs) bands (ev): -7.6950 -7.6950 -7.6650 -7.6316 -7.6083 -7.6083 -7.5882 -7.5882 -7.2842 -7.2426 -7.2021 -7.2021 -7.1501 -7.1501 -7.1386 -7.1357 -7.1341 -7.1341 -7.1167 -7.1167 -3.0897 -3.0897 -3.0894 -3.0880 0.5548 0.5695 0.6128 0.6128 3.0769 3.0769 3.7300 3.7300 5.4501 5.4743 5.5058 5.5058 10.0965 10.1296 10.1468 10.1468 11.3602 11.3602 13.4278 13.4278 k = 0.3333 0.5774 0.2442 ( 2820 PWs) bands (ev): -7.6949 -7.6949 -7.6625 -7.6345 -7.6082 -7.6082 -7.5881 -7.5881 -7.2805 -7.2455 -7.2026 -7.2026 -7.1497 -7.1497 -7.1385 -7.1360 -7.1341 -7.1341 -7.1167 -7.1167 -3.0870 -3.0870 -3.0866 -3.0854 0.5374 0.5496 0.5941 0.5941 3.1226 3.1226 3.6707 3.6707 5.5200 5.5407 5.5744 5.5744 9.9952 10.0229 10.0417 10.0417 11.5192 11.5192 13.2562 13.2562 k = 0.3333 0.5774 0.2564 ( 2811 PWs) bands (ev): -7.6949 -7.6949 -7.6600 -7.6375 -7.6081 -7.6081 -7.5881 -7.5881 -7.2767 -7.2486 -7.2029 -7.2029 -7.1494 -7.1494 -7.1383 -7.1363 -7.1341 -7.1341 -7.1166 -7.1166 -3.0848 -3.0848 -3.0842 -3.0832 0.5231 0.5328 0.5786 0.5786 3.1700 3.1700 3.6119 3.6119 5.5807 5.5977 5.6337 5.6337 9.9097 9.9321 9.9526 9.9526 11.6823 11.6823 13.0810 13.0810 k = 0.3333 0.5774 0.2687 ( 2811 PWs) bands (ev): -7.6949 -7.6949 -7.6573 -7.6404 -7.6080 -7.6080 -7.5881 -7.5881 -7.2729 -7.2518 -7.2032 -7.2032 -7.1492 -7.1492 -7.1381 -7.1366 -7.1342 -7.1342 -7.1166 -7.1166 -3.0830 -3.0830 -3.0822 -3.0815 0.5121 0.5194 0.5664 0.5664 3.2188 3.2188 3.5541 3.5541 5.6306 5.6435 5.6819 5.6819 9.8418 9.8587 9.8812 9.8812 11.8489 11.8489 12.9037 12.9037 k = 0.3333 0.5774 0.2809 ( 2808 PWs) bands (ev): -7.6948 -7.6948 -7.6546 -7.6433 -7.6080 -7.6080 -7.5881 -7.5881 -7.2692 -7.2551 -7.2034 -7.2034 -7.1490 -7.1490 -7.1379 -7.1369 -7.1342 -7.1342 -7.1166 -7.1166 -3.0817 -3.0817 -3.0808 -3.0803 0.5045 0.5094 0.5576 0.5576 3.2685 3.2685 3.4980 3.4980 5.6681 5.6769 5.7176 5.7176 9.7928 9.8042 9.8289 9.8289 12.0184 12.0184 12.7260 12.7260 k = 0.3333 0.5774 0.2931 ( 2808 PWs) bands (ev): -7.6948 -7.6948 -7.6519 -7.6462 -7.6079 -7.6079 -7.5881 -7.5881 -7.2655 -7.2584 -7.2036 -7.2036 -7.1490 -7.1490 -7.1377 -7.1372 -7.1342 -7.1342 -7.1166 -7.1166 -3.0809 -3.0809 -3.0799 -3.0796 0.5004 0.5028 0.5522 0.5522 3.3170 3.3170 3.4456 3.4456 5.6920 5.6965 5.7396 5.7396 9.7641 9.7698 9.7970 9.7970 12.1894 12.1894 12.5499 12.5499 k = 0.3333 0.5774 0.3053 ( 2808 PWs) bands (ev): -7.6948 -7.6948 -7.6491 -7.6491 -7.6079 -7.6079 -7.5881 -7.5881 -7.2620 -7.2620 -7.2036 -7.2036 -7.1489 -7.1489 -7.1374 -7.1374 -7.1342 -7.1342 -7.1166 -7.1166 -3.0806 -3.0806 -3.0795 -3.0795 0.4998 0.4998 0.5504 0.5504 3.3472 3.3472 3.4140 3.4140 5.7016 5.7016 5.7470 5.7470 9.7564 9.7564 9.7862 9.7862 12.3307 12.3307 12.4068 12.4068 Writing output data file GaAs.save init_run : 4.32s CPU 15.14s WALL ( 1 calls) electrons : 382.11s CPU 394.13s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.33s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 382.06s CPU 393.88s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.97s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.57s WALL ( 1 calls) newd : 0.20s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 340 calls) cegterg : 279.69s CPU 281.89s WALL ( 546 calls) Called by sum_band: Called by *egterg: h_psi : 129.29s CPU 134.03s WALL ( 8995 calls) s_psi : 11.85s CPU 12.31s WALL ( 8995 calls) g_psi : 0.29s CPU 0.34s WALL ( 8109 calls) cdiaghg : 101.78s CPU 100.42s WALL ( 8449 calls) cegterg:over : 25.78s CPU 23.38s WALL ( 8109 calls) cegterg:upda : 3.93s CPU 5.92s WALL ( 8109 calls) cegterg:last : 4.18s CPU 4.82s WALL ( 1566 calls) Called by h_psi: h_psi:vloc : 105.05s CPU 109.05s WALL ( 8995 calls) h_psi:vnl : 24.12s CPU 24.64s WALL ( 8995 calls) add_vuspsi : 7.00s CPU 9.55s WALL ( 8995 calls) General routines calbec : 17.09s CPU 14.93s WALL ( 8995 calls) fft : 0.36s CPU 1.16s WALL ( 19 calls) ffts : 0.01s CPU 0.04s WALL ( 4 calls) fftw : 100.00s CPU 102.89s WALL ( 822912 calls) interpolate : 0.06s CPU 0.09s WALL ( 4 calls) davcio : 0.03s CPU 9.35s WALL ( 680 calls) Parallel routines fft_scatter : 78.33s CPU 79.14s WALL ( 822935 calls) PWSCF : 7m22.92s CPU 9m47.52s WALL This run was terminated on: 17:20:16 20Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=