Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:15:27 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./ZrFe2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 34 10 1035 791 123 Max 42 35 11 1038 810 126 Sum 1483 1237 361 37309 28763 4477 bravais-lattice index = 14 lattice parameter (alat) = 9.4699 a.u. unit-cell volume = 600.5149 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.469919 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 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) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Zr 4.00 91.22400 Zr( 1.00) Fe 8.00 55.84500 Fe( 1.00) 12 Sym. Ops., with inversion, found (10 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 1.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.7500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( 1.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.7500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0111111 -0.0064150 0.0090722), wk = 0.0033223 k( 3) = ( 0.0222222 -0.0128300 0.0181444), wk = 0.0033223 k( 4) = ( 0.0333333 -0.0192450 0.0272165), wk = 0.0033223 k( 5) = ( 0.0444444 -0.0256600 0.0362887), wk = 0.0033223 k( 6) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0033223 k( 7) = ( 0.0666667 -0.0384900 0.0544331), wk = 0.0033223 k( 8) = ( 0.0777778 -0.0449050 0.0635053), wk = 0.0033223 k( 9) = ( 0.0888889 -0.0513200 0.0725775), wk = 0.0033223 k( 10) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0033223 k( 11) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0033223 k( 12) = ( 0.1222222 -0.0705650 0.0997940), wk = 0.0033223 k( 13) = ( 0.1333333 -0.0769800 0.1088662), wk = 0.0033223 k( 14) = ( 0.1444444 -0.0833950 0.1179384), wk = 0.0033223 k( 15) = ( 0.1555556 -0.0898100 0.1270106), wk = 0.0033223 k( 16) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0033223 k( 17) = ( 0.1777778 -0.1026400 0.1451549), wk = 0.0033223 k( 18) = ( 0.1888889 -0.1090551 0.1542271), wk = 0.0033223 k( 19) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0033223 k( 20) = ( 0.2111111 -0.1218851 0.1723715), wk = 0.0033223 k( 21) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0033223 k( 22) = ( 0.2333333 -0.1347151 0.1905159), wk = 0.0033223 k( 23) = ( 0.2444444 -0.1411301 0.1995880), wk = 0.0033223 k( 24) = ( 0.2555556 -0.1475451 0.2086602), wk = 0.0033223 k( 25) = ( 0.2666667 -0.1539601 0.2177324), wk = 0.0033223 k( 26) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0033223 k( 27) = ( 0.2888889 -0.1667901 0.2358768), wk = 0.0033223 k( 28) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0033223 k( 29) = ( 0.3111111 -0.1796201 0.2540212), wk = 0.0033223 k( 30) = ( 0.3222222 -0.1860351 0.2630933), wk = 0.0033223 k( 31) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0033223 k( 32) = ( 0.3444444 -0.1988651 0.2812377), wk = 0.0033223 k( 33) = ( 0.3555556 -0.2052801 0.2903099), wk = 0.0033223 k( 34) = ( 0.3666667 -0.2116951 0.2993821), wk = 0.0033223 k( 35) = ( 0.3777778 -0.2181101 0.3084543), wk = 0.0033223 k( 36) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0033223 k( 37) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0033223 k( 38) = ( 0.4111111 -0.2373551 0.3356708), wk = 0.0033223 k( 39) = ( 0.4222222 -0.2437701 0.3447430), wk = 0.0033223 k( 40) = ( 0.4333333 -0.2501851 0.3538152), wk = 0.0033223 k( 41) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0033223 k( 42) = ( 0.4555556 -0.2630151 0.3719596), wk = 0.0033223 k( 43) = ( 0.4666667 -0.2694301 0.3810317), wk = 0.0033223 k( 44) = ( 0.4777778 -0.2758451 0.3901039), wk = 0.0033223 k( 45) = ( 0.4888889 -0.2822601 0.3991761), wk = 0.0033223 k( 46) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0033223 k( 47) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0033223 k( 48) = ( 0.5000000 -0.2761240 0.4171233), wk = 0.0033223 k( 49) = ( 0.5000000 -0.2635729 0.4259982), wk = 0.0033223 k( 50) = ( 0.5000000 -0.2510219 0.4348732), wk = 0.0033223 k( 51) = ( 0.5000000 -0.2384708 0.4437481), wk = 0.0033223 k( 52) = ( 0.5000000 -0.2259197 0.4526231), wk = 0.0033223 k( 53) = ( 0.5000000 -0.2133686 0.4614981), wk = 0.0033223 k( 54) = ( 0.5000000 -0.2008175 0.4703730), wk = 0.0033223 k( 55) = ( 0.5000000 -0.1882664 0.4792480), wk = 0.0033223 k( 56) = ( 0.5000000 -0.1757153 0.4881230), wk = 0.0033223 k( 57) = ( 0.5000000 -0.1631642 0.4969979), wk = 0.0033223 k( 58) = ( 0.5000000 -0.1506131 0.5058729), wk = 0.0033223 k( 59) = ( 0.5000000 -0.1380620 0.5147478), wk = 0.0033223 k( 60) = ( 0.5000000 -0.1255109 0.5236228), wk = 0.0033223 k( 61) = ( 0.5000000 -0.1129598 0.5324978), wk = 0.0033223 k( 62) = ( 0.5000000 -0.1004087 0.5413727), wk = 0.0033223 k( 63) = ( 0.5000000 -0.0878577 0.5502477), wk = 0.0033223 k( 64) = ( 0.5000000 -0.0753066 0.5591227), wk = 0.0033223 k( 65) = ( 0.5000000 -0.0627555 0.5679976), wk = 0.0033223 k( 66) = ( 0.5000000 -0.0502044 0.5768726), wk = 0.0033223 k( 67) = ( 0.5000000 -0.0376533 0.5857475), wk = 0.0033223 k( 68) = ( 0.5000000 -0.0251022 0.5946225), wk = 0.0033223 k( 69) = ( 0.5000000 -0.0125511 0.6034975), wk = 0.0033223 k( 70) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0033223 k( 71) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0033223 k( 72) = ( 0.4921875 0.0135316 0.6123724), wk = 0.0033223 k( 73) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0033223 k( 74) = ( 0.4765625 0.0405949 0.6123724), wk = 0.0033223 k( 75) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0033223 k( 76) = ( 0.4609375 0.0676582 0.6123724), wk = 0.0033223 k( 77) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0033223 k( 78) = ( 0.4453125 0.0947215 0.6123724), wk = 0.0033223 k( 79) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0033223 k( 80) = ( 0.4296875 0.1217848 0.6123724), wk = 0.0033223 k( 81) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0033223 k( 82) = ( 0.4140625 0.1488481 0.6123724), wk = 0.0033223 k( 83) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0033223 k( 84) = ( 0.3984375 0.1759114 0.6123724), wk = 0.0033223 k( 85) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0033223 k( 86) = ( 0.3828125 0.2029747 0.6123724), wk = 0.0033223 k( 87) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0033223 k( 88) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0033223 k( 89) = ( 0.3671875 0.2119958 0.5996147), wk = 0.0033223 k( 90) = ( 0.3593750 0.2074853 0.5868569), wk = 0.0033223 k( 91) = ( 0.3515625 0.2029747 0.5740992), wk = 0.0033223 k( 92) = ( 0.3437500 0.1984642 0.5613414), wk = 0.0033223 k( 93) = ( 0.3359375 0.1939536 0.5485836), wk = 0.0033223 k( 94) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0033223 k( 95) = ( 0.3203125 0.1849325 0.5230681), wk = 0.0033223 k( 96) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0033223 k( 97) = ( 0.3046875 0.1759114 0.4975526), wk = 0.0033223 k( 98) = ( 0.2968750 0.1714009 0.4847948), wk = 0.0033223 k( 99) = ( 0.2890625 0.1668903 0.4720371), wk = 0.0033223 k( 100) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0033223 k( 101) = ( 0.2734375 0.1578692 0.4465216), wk = 0.0033223 k( 102) = ( 0.2656250 0.1533587 0.4337638), wk = 0.0033223 k( 103) = ( 0.2578125 0.1488481 0.4210060), wk = 0.0033223 k( 104) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0033223 k( 105) = ( 0.2421875 0.1398270 0.3954905), wk = 0.0033223 k( 106) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0033223 k( 107) = ( 0.2265625 0.1308059 0.3699750), wk = 0.0033223 k( 108) = ( 0.2187500 0.1262954 0.3572173), wk = 0.0033223 k( 109) = ( 0.2109375 0.1217848 0.3444595), wk = 0.0033223 k( 110) = ( 0.2031250 0.1172743 0.3317017), wk = 0.0033223 k( 111) = ( 0.1953125 0.1127637 0.3189440), wk = 0.0033223 k( 112) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0033223 k( 113) = ( 0.1796875 0.1037426 0.2934285), wk = 0.0033223 k( 114) = ( 0.1718750 0.0992321 0.2806707), wk = 0.0033223 k( 115) = ( 0.1640625 0.0947215 0.2679129), wk = 0.0033223 k( 116) = ( 0.1562500 0.0902110 0.2551552), wk = 0.0033223 k( 117) = ( 0.1484375 0.0857004 0.2423974), wk = 0.0033223 k( 118) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0033223 k( 119) = ( 0.1328125 0.0766793 0.2168819), wk = 0.0033223 k( 120) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0033223 k( 121) = ( 0.1171875 0.0676582 0.1913664), wk = 0.0033223 k( 122) = ( 0.1093750 0.0631477 0.1786086), wk = 0.0033223 k( 123) = ( 0.1015625 0.0586371 0.1658509), wk = 0.0033223 k( 124) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0033223 k( 125) = ( 0.0859375 0.0496160 0.1403353), wk = 0.0033223 k( 126) = ( 0.0781250 0.0451055 0.1275776), wk = 0.0033223 k( 127) = ( 0.0703125 0.0405949 0.1148198), wk = 0.0033223 k( 128) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0033223 k( 129) = ( 0.0546875 0.0315738 0.0893043), wk = 0.0033223 k( 130) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0033223 k( 131) = ( 0.0390625 0.0225527 0.0637888), wk = 0.0033223 k( 132) = ( 0.0312500 0.0180422 0.0510310), wk = 0.0033223 k( 133) = ( 0.0234375 0.0135316 0.0382733), wk = 0.0033223 k( 134) = ( 0.0156250 0.0090211 0.0255155), wk = 0.0033223 k( 135) = ( 0.0078125 0.0045105 0.0127578), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 138) = ( 0.0128205 0.0074019 0.0052340), wk = 0.0033223 k( 139) = ( 0.0256410 0.0148039 0.0104679), wk = 0.0033223 k( 140) = ( 0.0384615 0.0222058 0.0157019), wk = 0.0033223 k( 141) = ( 0.0512821 0.0296077 0.0209358), wk = 0.0033223 k( 142) = ( 0.0641026 0.0370096 0.0261698), wk = 0.0033223 k( 143) = ( 0.0769231 0.0444116 0.0314037), wk = 0.0033223 k( 144) = ( 0.0897436 0.0518135 0.0366377), wk = 0.0033223 k( 145) = ( 0.1025641 0.0592154 0.0418716), wk = 0.0033223 k( 146) = ( 0.1153846 0.0666173 0.0471056), wk = 0.0033223 k( 147) = ( 0.1282051 0.0740193 0.0523395), wk = 0.0033223 k( 148) = ( 0.1410256 0.0814212 0.0575735), wk = 0.0033223 k( 149) = ( 0.1538461 0.0888231 0.0628074), wk = 0.0033223 k( 150) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0033223 k( 151) = ( 0.1794872 0.1036270 0.0732753), wk = 0.0033223 k( 152) = ( 0.1923077 0.1110289 0.0785093), wk = 0.0033223 k( 153) = ( 0.2051282 0.1184308 0.0837432), wk = 0.0033223 k( 154) = ( 0.2179487 0.1258328 0.0889772), wk = 0.0033223 k( 155) = ( 0.2307692 0.1332347 0.0942111), wk = 0.0033223 k( 156) = ( 0.2435897 0.1406366 0.0994451), wk = 0.0033223 k( 157) = ( 0.2564103 0.1480385 0.1046791), wk = 0.0033223 k( 158) = ( 0.2692308 0.1554405 0.1099130), wk = 0.0033223 k( 159) = ( 0.2820513 0.1628424 0.1151470), wk = 0.0033223 k( 160) = ( 0.2948718 0.1702443 0.1203809), wk = 0.0033223 k( 161) = ( 0.3076923 0.1776462 0.1256149), wk = 0.0033223 k( 162) = ( 0.3205128 0.1850482 0.1308488), wk = 0.0033223 k( 163) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0033223 k( 164) = ( 0.3461538 0.1998520 0.1413167), wk = 0.0033223 k( 165) = ( 0.3589744 0.2072539 0.1465507), wk = 0.0033223 k( 166) = ( 0.3717949 0.2146559 0.1517846), wk = 0.0033223 k( 167) = ( 0.3846154 0.2220578 0.1570186), wk = 0.0033223 k( 168) = ( 0.3974359 0.2294597 0.1622525), wk = 0.0033223 k( 169) = ( 0.4102564 0.2368616 0.1674865), wk = 0.0033223 k( 170) = ( 0.4230769 0.2442636 0.1727204), wk = 0.0033223 k( 171) = ( 0.4358974 0.2516655 0.1779544), wk = 0.0033223 k( 172) = ( 0.4487179 0.2590674 0.1831883), wk = 0.0033223 k( 173) = ( 0.4615385 0.2664694 0.1884223), wk = 0.0033223 k( 174) = ( 0.4743590 0.2738713 0.1936562), wk = 0.0033223 k( 175) = ( 0.4871795 0.2812732 0.1988902), wk = 0.0033223 k( 176) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0033223 k( 177) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0033223 k( 178) = ( 0.5044643 0.2757879 0.2114143), wk = 0.0033223 k( 179) = ( 0.5089286 0.2629006 0.2187044), wk = 0.0033223 k( 180) = ( 0.5133929 0.2500133 0.2259946), wk = 0.0033223 k( 181) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0033223 k( 182) = ( 0.5223214 0.2242387 0.2405749), wk = 0.0033223 k( 183) = ( 0.5267857 0.2113514 0.2478650), wk = 0.0033223 k( 184) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0033223 k( 185) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0033223 k( 186) = ( 0.5401786 0.1726896 0.2697355), wk = 0.0033223 k( 187) = ( 0.5446429 0.1598023 0.2770256), wk = 0.0033223 k( 188) = ( 0.5491071 0.1469150 0.2843158), wk = 0.0033223 k( 189) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0033223 k( 190) = ( 0.5580357 0.1211405 0.2988961), wk = 0.0033223 k( 191) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0033223 k( 192) = ( 0.5669643 0.0953659 0.3134764), wk = 0.0033223 k( 193) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0033223 k( 194) = ( 0.5758929 0.0695913 0.3280567), wk = 0.0033223 k( 195) = ( 0.5803571 0.0567040 0.3353468), wk = 0.0033223 k( 196) = ( 0.5848214 0.0438168 0.3426370), wk = 0.0033223 k( 197) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0033223 k( 198) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0033223 k( 199) = ( 0.5982143 0.0051549 0.3645074), wk = 0.0033223 k( 200) = ( 0.6026786 -0.0077324 0.3717975), wk = 0.0033223 k( 201) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0033223 k( 202) = ( 0.6116071 -0.0335069 0.3863778), wk = 0.0033223 k( 203) = ( 0.6160714 -0.0463942 0.3936680), wk = 0.0033223 k( 204) = ( 0.6205357 -0.0592815 0.4009581), wk = 0.0033223 k( 205) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0033223 k( 206) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0033223 k( 207) = ( 0.6171875 -0.0676582 0.4210060), wk = 0.0033223 k( 208) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0033223 k( 209) = ( 0.6015625 -0.0586371 0.4465216), wk = 0.0033223 k( 210) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0033223 k( 211) = ( 0.5859375 -0.0496160 0.4720371), wk = 0.0033223 k( 212) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0033223 k( 213) = ( 0.5703125 -0.0405949 0.4975526), wk = 0.0033223 k( 214) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0033223 k( 215) = ( 0.5546875 -0.0315738 0.5230681), wk = 0.0033223 k( 216) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0033223 k( 217) = ( 0.5390625 -0.0225527 0.5485836), wk = 0.0033223 k( 218) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0033223 k( 219) = ( 0.5234375 -0.0135316 0.5740992), wk = 0.0033223 k( 220) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0033223 k( 221) = ( 0.5078125 -0.0045105 0.5996147), wk = 0.0033223 k( 222) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0033223 k( 223) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0033223 k( 224) = ( 0.5000000 0.0090211 0.5996147), wk = 0.0033223 k( 225) = ( 0.5000000 0.0180422 0.5868569), wk = 0.0033223 k( 226) = ( 0.5000000 0.0270633 0.5740992), wk = 0.0033223 k( 227) = ( 0.5000000 0.0360844 0.5613414), wk = 0.0033223 k( 228) = ( 0.5000000 0.0451055 0.5485836), wk = 0.0033223 k( 229) = ( 0.5000000 0.0541266 0.5358259), wk = 0.0033223 k( 230) = ( 0.5000000 0.0631477 0.5230681), wk = 0.0033223 k( 231) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0033223 k( 232) = ( 0.5000000 0.0811899 0.4975526), wk = 0.0033223 k( 233) = ( 0.5000000 0.0902110 0.4847948), wk = 0.0033223 k( 234) = ( 0.5000000 0.0992321 0.4720371), wk = 0.0033223 k( 235) = ( 0.5000000 0.1082532 0.4592793), wk = 0.0033223 k( 236) = ( 0.5000000 0.1172743 0.4465216), wk = 0.0033223 k( 237) = ( 0.5000000 0.1262954 0.4337638), wk = 0.0033223 k( 238) = ( 0.5000000 0.1353165 0.4210060), wk = 0.0033223 k( 239) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0033223 k( 240) = ( 0.5000000 0.1533587 0.3954905), wk = 0.0033223 k( 241) = ( 0.5000000 0.1623798 0.3827328), wk = 0.0033223 k( 242) = ( 0.5000000 0.1714009 0.3699750), wk = 0.0033223 k( 243) = ( 0.5000000 0.1804220 0.3572173), wk = 0.0033223 k( 244) = ( 0.5000000 0.1894431 0.3444595), wk = 0.0033223 k( 245) = ( 0.5000000 0.1984642 0.3317017), wk = 0.0033223 k( 246) = ( 0.5000000 0.2074853 0.3189440), wk = 0.0033223 k( 247) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0033223 k( 248) = ( 0.5000000 0.2255274 0.2934285), wk = 0.0033223 k( 249) = ( 0.5000000 0.2345485 0.2806707), wk = 0.0033223 k( 250) = ( 0.5000000 0.2435696 0.2679129), wk = 0.0033223 k( 251) = ( 0.5000000 0.2525907 0.2551552), wk = 0.0033223 k( 252) = ( 0.5000000 0.2616118 0.2423974), wk = 0.0033223 k( 253) = ( 0.5000000 0.2706329 0.2296397), wk = 0.0033223 k( 254) = ( 0.5000000 0.2796540 0.2168819), wk = 0.0033223 k( 255) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0033223 k( 256) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0033223 k( 257) = ( 0.4955357 0.2860977 0.2187044), wk = 0.0033223 k( 258) = ( 0.4910714 0.2835202 0.2332847), wk = 0.0033223 k( 259) = ( 0.4866071 0.2809428 0.2478650), wk = 0.0033223 k( 260) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0033223 k( 261) = ( 0.4776786 0.2757879 0.2770256), wk = 0.0033223 k( 262) = ( 0.4732143 0.2732104 0.2916059), wk = 0.0033223 k( 263) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0033223 k( 264) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0033223 k( 265) = ( 0.4598214 0.2654780 0.3353468), wk = 0.0033223 k( 266) = ( 0.4553571 0.2629006 0.3499271), wk = 0.0033223 k( 267) = ( 0.4508929 0.2603231 0.3645074), wk = 0.0033223 k( 268) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0033223 k( 269) = ( 0.4419643 0.2551682 0.3936680), wk = 0.0033223 k( 270) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0033223 k( 271) = ( 0.4330357 0.2500133 0.4228286), wk = 0.0033223 k( 272) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0033223 k( 273) = ( 0.4241071 0.2448584 0.4519892), wk = 0.0033223 k( 274) = ( 0.4196429 0.2422809 0.4665695), wk = 0.0033223 k( 275) = ( 0.4151786 0.2397035 0.4811498), wk = 0.0033223 k( 276) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0033223 k( 277) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0033223 k( 278) = ( 0.4017857 0.2319711 0.5248907), wk = 0.0033223 k( 279) = ( 0.3973214 0.2293936 0.5394710), wk = 0.0033223 k( 280) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0033223 k( 281) = ( 0.3883929 0.2242387 0.5686316), wk = 0.0033223 k( 282) = ( 0.3839286 0.2216613 0.5832118), wk = 0.0033223 k( 283) = ( 0.3794643 0.2190838 0.5977921), wk = 0.0033223 k( 284) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0033223 k( 285) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0033223 k( 286) = ( 0.6171875 -0.0857004 0.4082483), wk = 0.0033223 k( 287) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0033223 k( 288) = ( 0.6015625 -0.1127637 0.4082483), wk = 0.0033223 k( 289) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0033223 k( 290) = ( 0.5859375 -0.1398270 0.4082483), wk = 0.0033223 k( 291) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0033223 k( 292) = ( 0.5703125 -0.1668903 0.4082483), wk = 0.0033223 k( 293) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0033223 k( 294) = ( 0.5546875 -0.1939536 0.4082483), wk = 0.0033223 k( 295) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0033223 k( 296) = ( 0.5390625 -0.2210169 0.4082483), wk = 0.0033223 k( 297) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0033223 k( 298) = ( 0.5234375 -0.2480802 0.4082483), wk = 0.0033223 k( 299) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0033223 k( 300) = ( 0.5078125 -0.2751435 0.4082483), wk = 0.0033223 k( 301) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0111111 -0.0000000 0.0111111), wk = 0.0033223 k( 3) = ( 0.0222222 -0.0000000 0.0222222), wk = 0.0033223 k( 4) = ( 0.0333333 0.0000000 0.0333333), wk = 0.0033223 k( 5) = ( 0.0444444 -0.0000000 0.0444444), wk = 0.0033223 k( 6) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0033223 k( 7) = ( 0.0666667 -0.0000000 0.0666667), wk = 0.0033223 k( 8) = ( 0.0777778 0.0000000 0.0777778), wk = 0.0033223 k( 9) = ( 0.0888889 -0.0000000 0.0888889), wk = 0.0033223 k( 10) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0033223 k( 11) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0033223 k( 12) = ( 0.1222222 -0.0000000 0.1222222), wk = 0.0033223 k( 13) = ( 0.1333333 0.0000000 0.1333333), wk = 0.0033223 k( 14) = ( 0.1444444 0.0000000 0.1444444), wk = 0.0033223 k( 15) = ( 0.1555556 0.0000000 0.1555556), wk = 0.0033223 k( 16) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0033223 k( 17) = ( 0.1777778 -0.0000000 0.1777778), wk = 0.0033223 k( 18) = ( 0.1888889 0.0000000 0.1888889), wk = 0.0033223 k( 19) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0033223 k( 20) = ( 0.2111111 0.0000000 0.2111111), wk = 0.0033223 k( 21) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0033223 k( 22) = ( 0.2333333 -0.0000000 0.2333333), wk = 0.0033223 k( 23) = ( 0.2444444 -0.0000000 0.2444444), wk = 0.0033223 k( 24) = ( 0.2555556 0.0000000 0.2555556), wk = 0.0033223 k( 25) = ( 0.2666667 0.0000000 0.2666667), wk = 0.0033223 k( 26) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0033223 k( 27) = ( 0.2888889 0.0000000 0.2888889), wk = 0.0033223 k( 28) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0033223 k( 29) = ( 0.3111111 -0.0000000 0.3111111), wk = 0.0033223 k( 30) = ( 0.3222222 0.0000000 0.3222222), wk = 0.0033223 k( 31) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0033223 k( 32) = ( 0.3444444 -0.0000000 0.3444444), wk = 0.0033223 k( 33) = ( 0.3555556 -0.0000000 0.3555556), wk = 0.0033223 k( 34) = ( 0.3666667 -0.0000000 0.3666667), wk = 0.0033223 k( 35) = ( 0.3777778 0.0000000 0.3777778), wk = 0.0033223 k( 36) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0033223 k( 37) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0033223 k( 38) = ( 0.4111111 -0.0000000 0.4111111), wk = 0.0033223 k( 39) = ( 0.4222222 0.0000000 0.4222222), wk = 0.0033223 k( 40) = ( 0.4333333 -0.0000000 0.4333333), wk = 0.0033223 k( 41) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0033223 k( 42) = ( 0.4555556 0.0000000 0.4555556), wk = 0.0033223 k( 43) = ( 0.4666667 -0.0000000 0.4666667), wk = 0.0033223 k( 44) = ( 0.4777778 -0.0000000 0.4777778), wk = 0.0033223 k( 45) = ( 0.4888889 -0.0000000 0.4888889), wk = 0.0033223 k( 46) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 47) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 48) = ( 0.5000000 0.0108696 0.5108696), wk = 0.0033223 k( 49) = ( 0.5000000 0.0217391 0.5217391), wk = 0.0033223 k( 50) = ( 0.5000000 0.0326087 0.5326087), wk = 0.0033223 k( 51) = ( 0.5000000 0.0434783 0.5434783), wk = 0.0033223 k( 52) = ( 0.5000000 0.0543478 0.5543478), wk = 0.0033223 k( 53) = ( 0.5000000 0.0652174 0.5652174), wk = 0.0033223 k( 54) = ( 0.5000000 0.0760870 0.5760870), wk = 0.0033223 k( 55) = ( 0.5000000 0.0869565 0.5869565), wk = 0.0033223 k( 56) = ( 0.5000000 0.0978261 0.5978261), wk = 0.0033223 k( 57) = ( 0.5000000 0.1086957 0.6086957), wk = 0.0033223 k( 58) = ( 0.5000000 0.1195652 0.6195652), wk = 0.0033223 k( 59) = ( 0.5000000 0.1304348 0.6304348), wk = 0.0033223 k( 60) = ( 0.5000000 0.1413044 0.6413043), wk = 0.0033223 k( 61) = ( 0.5000000 0.1521739 0.6521739), wk = 0.0033223 k( 62) = ( 0.5000000 0.1630435 0.6630435), wk = 0.0033223 k( 63) = ( 0.5000000 0.1739130 0.6739130), wk = 0.0033223 k( 64) = ( 0.5000000 0.1847826 0.6847826), wk = 0.0033223 k( 65) = ( 0.5000000 0.1956522 0.6956522), wk = 0.0033223 k( 66) = ( 0.5000000 0.2065217 0.7065217), wk = 0.0033223 k( 67) = ( 0.5000000 0.2173913 0.7173913), wk = 0.0033223 k( 68) = ( 0.5000000 0.2282609 0.7282609), wk = 0.0033223 k( 69) = ( 0.5000000 0.2391304 0.7391304), wk = 0.0033223 k( 70) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0033223 k( 71) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0033223 k( 72) = ( 0.4921875 0.2578125 0.7500000), wk = 0.0033223 k( 73) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0033223 k( 74) = ( 0.4765625 0.2734375 0.7500000), wk = 0.0033223 k( 75) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0033223 k( 76) = ( 0.4609375 0.2890625 0.7500000), wk = 0.0033223 k( 77) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0033223 k( 78) = ( 0.4453125 0.3046875 0.7500000), wk = 0.0033223 k( 79) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0033223 k( 80) = ( 0.4296875 0.3203125 0.7500000), wk = 0.0033223 k( 81) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0033223 k( 82) = ( 0.4140625 0.3359375 0.7500000), wk = 0.0033223 k( 83) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0033223 k( 84) = ( 0.3984375 0.3515625 0.7500000), wk = 0.0033223 k( 85) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0033223 k( 86) = ( 0.3828125 0.3671875 0.7500000), wk = 0.0033223 k( 87) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0033223 k( 88) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0033223 k( 89) = ( 0.3671875 0.3671875 0.7343750), wk = 0.0033223 k( 90) = ( 0.3593750 0.3593750 0.7187500), wk = 0.0033223 k( 91) = ( 0.3515625 0.3515625 0.7031250), wk = 0.0033223 k( 92) = ( 0.3437500 0.3437500 0.6875000), wk = 0.0033223 k( 93) = ( 0.3359375 0.3359375 0.6718750), wk = 0.0033223 k( 94) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0033223 k( 95) = ( 0.3203125 0.3203125 0.6406250), wk = 0.0033223 k( 96) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0033223 k( 97) = ( 0.3046875 0.3046875 0.6093750), wk = 0.0033223 k( 98) = ( 0.2968750 0.2968750 0.5937500), wk = 0.0033223 k( 99) = ( 0.2890625 0.2890625 0.5781250), wk = 0.0033223 k( 100) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0033223 k( 101) = ( 0.2734375 0.2734375 0.5468750), wk = 0.0033223 k( 102) = ( 0.2656250 0.2656250 0.5312500), wk = 0.0033223 k( 103) = ( 0.2578125 0.2578125 0.5156250), wk = 0.0033223 k( 104) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033223 k( 105) = ( 0.2421875 0.2421875 0.4843750), wk = 0.0033223 k( 106) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0033223 k( 107) = ( 0.2265625 0.2265625 0.4531250), wk = 0.0033223 k( 108) = ( 0.2187500 0.2187500 0.4375000), wk = 0.0033223 k( 109) = ( 0.2109375 0.2109375 0.4218750), wk = 0.0033223 k( 110) = ( 0.2031250 0.2031250 0.4062500), wk = 0.0033223 k( 111) = ( 0.1953125 0.1953125 0.3906250), wk = 0.0033223 k( 112) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0033223 k( 113) = ( 0.1796875 0.1796875 0.3593750), wk = 0.0033223 k( 114) = ( 0.1718750 0.1718750 0.3437500), wk = 0.0033223 k( 115) = ( 0.1640625 0.1640625 0.3281250), wk = 0.0033223 k( 116) = ( 0.1562500 0.1562500 0.3125000), wk = 0.0033223 k( 117) = ( 0.1484375 0.1484375 0.2968750), wk = 0.0033223 k( 118) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0033223 k( 119) = ( 0.1328125 0.1328125 0.2656250), wk = 0.0033223 k( 120) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0033223 k( 121) = ( 0.1171875 0.1171875 0.2343750), wk = 0.0033223 k( 122) = ( 0.1093750 0.1093750 0.2187500), wk = 0.0033223 k( 123) = ( 0.1015625 0.1015625 0.2031250), wk = 0.0033223 k( 124) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0033223 k( 125) = ( 0.0859375 0.0859375 0.1718750), wk = 0.0033223 k( 126) = ( 0.0781250 0.0781250 0.1562500), wk = 0.0033223 k( 127) = ( 0.0703125 0.0703125 0.1406250), wk = 0.0033223 k( 128) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0033223 k( 129) = ( 0.0546875 0.0546875 0.1093750), wk = 0.0033223 k( 130) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0033223 k( 131) = ( 0.0390625 0.0390625 0.0781250), wk = 0.0033223 k( 132) = ( 0.0312500 0.0312500 0.0625000), wk = 0.0033223 k( 133) = ( 0.0234375 0.0234375 0.0468750), wk = 0.0033223 k( 134) = ( 0.0156250 0.0156250 0.0312500), wk = 0.0033223 k( 135) = ( 0.0078125 0.0078125 0.0156250), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 138) = ( 0.0128205 0.0128205 0.0128205), wk = 0.0033223 k( 139) = ( 0.0256410 0.0256410 0.0256410), wk = 0.0033223 k( 140) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0033223 k( 141) = ( 0.0512821 0.0512821 0.0512821), wk = 0.0033223 k( 142) = ( 0.0641026 0.0641026 0.0641026), wk = 0.0033223 k( 143) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0033223 k( 144) = ( 0.0897436 0.0897436 0.0897436), wk = 0.0033223 k( 145) = ( 0.1025641 0.1025641 0.1025641), wk = 0.0033223 k( 146) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0033223 k( 147) = ( 0.1282051 0.1282051 0.1282051), wk = 0.0033223 k( 148) = ( 0.1410256 0.1410256 0.1410256), wk = 0.0033223 k( 149) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0033223 k( 150) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0033223 k( 151) = ( 0.1794872 0.1794872 0.1794872), wk = 0.0033223 k( 152) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0033223 k( 153) = ( 0.2051282 0.2051282 0.2051282), wk = 0.0033223 k( 154) = ( 0.2179487 0.2179487 0.2179487), wk = 0.0033223 k( 155) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0033223 k( 156) = ( 0.2435897 0.2435897 0.2435897), wk = 0.0033223 k( 157) = ( 0.2564103 0.2564103 0.2564103), wk = 0.0033223 k( 158) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0033223 k( 159) = ( 0.2820513 0.2820513 0.2820513), wk = 0.0033223 k( 160) = ( 0.2948718 0.2948718 0.2948718), wk = 0.0033223 k( 161) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0033223 k( 162) = ( 0.3205128 0.3205128 0.3205128), wk = 0.0033223 k( 163) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033223 k( 164) = ( 0.3461538 0.3461538 0.3461539), wk = 0.0033223 k( 165) = ( 0.3589744 0.3589744 0.3589744), wk = 0.0033223 k( 166) = ( 0.3717949 0.3717949 0.3717949), wk = 0.0033223 k( 167) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0033223 k( 168) = ( 0.3974359 0.3974359 0.3974359), wk = 0.0033223 k( 169) = ( 0.4102564 0.4102564 0.4102564), wk = 0.0033223 k( 170) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0033223 k( 171) = ( 0.4358974 0.4358974 0.4358974), wk = 0.0033223 k( 172) = ( 0.4487179 0.4487180 0.4487180), wk = 0.0033223 k( 173) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0033223 k( 174) = ( 0.4743590 0.4743590 0.4743590), wk = 0.0033223 k( 175) = ( 0.4871795 0.4871795 0.4871795), wk = 0.0033223 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 177) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 178) = ( 0.5044643 0.4910714 0.5044643), wk = 0.0033223 k( 179) = ( 0.5089286 0.4821429 0.5089286), wk = 0.0033223 k( 180) = ( 0.5133929 0.4732143 0.5133929), wk = 0.0033223 k( 181) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0033223 k( 182) = ( 0.5223214 0.4553571 0.5223214), wk = 0.0033223 k( 183) = ( 0.5267857 0.4464286 0.5267857), wk = 0.0033223 k( 184) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0033223 k( 185) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0033223 k( 186) = ( 0.5401786 0.4196429 0.5401786), wk = 0.0033223 k( 187) = ( 0.5446429 0.4107143 0.5446429), wk = 0.0033223 k( 188) = ( 0.5491071 0.4017857 0.5491071), wk = 0.0033223 k( 189) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0033223 k( 190) = ( 0.5580357 0.3839286 0.5580357), wk = 0.0033223 k( 191) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0033223 k( 192) = ( 0.5669643 0.3660714 0.5669643), wk = 0.0033223 k( 193) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0033223 k( 194) = ( 0.5758929 0.3482143 0.5758929), wk = 0.0033223 k( 195) = ( 0.5803571 0.3392857 0.5803571), wk = 0.0033223 k( 196) = ( 0.5848214 0.3303571 0.5848214), wk = 0.0033223 k( 197) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0033223 k( 198) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0033223 k( 199) = ( 0.5982143 0.3035714 0.5982143), wk = 0.0033223 k( 200) = ( 0.6026786 0.2946429 0.6026786), wk = 0.0033223 k( 201) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0033223 k( 202) = ( 0.6116071 0.2767857 0.6116071), wk = 0.0033223 k( 203) = ( 0.6160714 0.2678571 0.6160714), wk = 0.0033223 k( 204) = ( 0.6205357 0.2589286 0.6205357), wk = 0.0033223 k( 205) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0033223 k( 206) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0033223 k( 207) = ( 0.6171875 0.2500000 0.6328125), wk = 0.0033223 k( 208) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0033223 k( 209) = ( 0.6015625 0.2500000 0.6484375), wk = 0.0033223 k( 210) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0033223 k( 211) = ( 0.5859375 0.2500000 0.6640625), wk = 0.0033223 k( 212) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0033223 k( 213) = ( 0.5703125 0.2500000 0.6796875), wk = 0.0033223 k( 214) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0033223 k( 215) = ( 0.5546875 0.2500000 0.6953125), wk = 0.0033223 k( 216) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0033223 k( 217) = ( 0.5390625 0.2500000 0.7109375), wk = 0.0033223 k( 218) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0033223 k( 219) = ( 0.5234375 0.2500000 0.7265625), wk = 0.0033223 k( 220) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0033223 k( 221) = ( 0.5078125 0.2500000 0.7421875), wk = 0.0033223 k( 222) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0033223 k( 223) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0033223 k( 224) = ( 0.5000000 0.2578125 0.7421875), wk = 0.0033223 k( 225) = ( 0.5000000 0.2656250 0.7343750), wk = 0.0033223 k( 226) = ( 0.5000000 0.2734375 0.7265625), wk = 0.0033223 k( 227) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0033223 k( 228) = ( 0.5000000 0.2890625 0.7109375), wk = 0.0033223 k( 229) = ( 0.5000000 0.2968750 0.7031250), wk = 0.0033223 k( 230) = ( 0.5000000 0.3046875 0.6953125), wk = 0.0033223 k( 231) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0033223 k( 232) = ( 0.5000000 0.3203125 0.6796875), wk = 0.0033223 k( 233) = ( 0.5000000 0.3281250 0.6718750), wk = 0.0033223 k( 234) = ( 0.5000000 0.3359375 0.6640625), wk = 0.0033223 k( 235) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0033223 k( 236) = ( 0.5000000 0.3515625 0.6484375), wk = 0.0033223 k( 237) = ( 0.5000000 0.3593750 0.6406250), wk = 0.0033223 k( 238) = ( 0.5000000 0.3671875 0.6328125), wk = 0.0033223 k( 239) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0033223 k( 240) = ( 0.5000000 0.3828125 0.6171875), wk = 0.0033223 k( 241) = ( 0.5000000 0.3906250 0.6093750), wk = 0.0033223 k( 242) = ( 0.5000000 0.3984375 0.6015625), wk = 0.0033223 k( 243) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0033223 k( 244) = ( 0.5000000 0.4140625 0.5859375), wk = 0.0033223 k( 245) = ( 0.5000000 0.4218750 0.5781250), wk = 0.0033223 k( 246) = ( 0.5000000 0.4296875 0.5703125), wk = 0.0033223 k( 247) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0033223 k( 248) = ( 0.5000000 0.4453125 0.5546875), wk = 0.0033223 k( 249) = ( 0.5000000 0.4531250 0.5468750), wk = 0.0033223 k( 250) = ( 0.5000000 0.4609375 0.5390625), wk = 0.0033223 k( 251) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0033223 k( 252) = ( 0.5000000 0.4765625 0.5234375), wk = 0.0033223 k( 253) = ( 0.5000000 0.4843750 0.5156250), wk = 0.0033223 k( 254) = ( 0.5000000 0.4921875 0.5078125), wk = 0.0033223 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 257) = ( 0.4955357 0.4955357 0.5089286), wk = 0.0033223 k( 258) = ( 0.4910714 0.4910714 0.5178571), wk = 0.0033223 k( 259) = ( 0.4866071 0.4866071 0.5267857), wk = 0.0033223 k( 260) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0033223 k( 261) = ( 0.4776786 0.4776786 0.5446429), wk = 0.0033223 k( 262) = ( 0.4732143 0.4732143 0.5535714), wk = 0.0033223 k( 263) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0033223 k( 264) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0033223 k( 265) = ( 0.4598214 0.4598214 0.5803571), wk = 0.0033223 k( 266) = ( 0.4553571 0.4553571 0.5892857), wk = 0.0033223 k( 267) = ( 0.4508929 0.4508929 0.5982143), wk = 0.0033223 k( 268) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0033223 k( 269) = ( 0.4419643 0.4419643 0.6160714), wk = 0.0033223 k( 270) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0033223 k( 271) = ( 0.4330357 0.4330357 0.6339286), wk = 0.0033223 k( 272) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0033223 k( 273) = ( 0.4241071 0.4241071 0.6517857), wk = 0.0033223 k( 274) = ( 0.4196429 0.4196429 0.6607143), wk = 0.0033223 k( 275) = ( 0.4151786 0.4151786 0.6696429), wk = 0.0033223 k( 276) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0033223 k( 277) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0033223 k( 278) = ( 0.4017857 0.4017857 0.6964286), wk = 0.0033223 k( 279) = ( 0.3973214 0.3973214 0.7053571), wk = 0.0033223 k( 280) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0033223 k( 281) = ( 0.3883929 0.3883929 0.7232143), wk = 0.0033223 k( 282) = ( 0.3839286 0.3839286 0.7321429), wk = 0.0033223 k( 283) = ( 0.3794643 0.3794643 0.7410714), wk = 0.0033223 k( 284) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0033223 k( 285) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0033223 k( 286) = ( 0.6171875 0.2343750 0.6171875), wk = 0.0033223 k( 287) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0033223 k( 288) = ( 0.6015625 0.2031250 0.6015625), wk = 0.0033223 k( 289) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0033223 k( 290) = ( 0.5859375 0.1718750 0.5859375), wk = 0.0033223 k( 291) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0033223 k( 292) = ( 0.5703125 0.1406250 0.5703125), wk = 0.0033223 k( 293) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0033223 k( 294) = ( 0.5546875 0.1093750 0.5546875), wk = 0.0033223 k( 295) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0033223 k( 296) = ( 0.5390625 0.0781250 0.5390625), wk = 0.0033223 k( 297) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0033223 k( 298) = ( 0.5234375 0.0468750 0.5234375), wk = 0.0033223 k( 299) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0033223 k( 300) = ( 0.5078125 0.0156250 0.5078125), wk = 0.0033223 k( 301) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 Dense grid: 37309 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 28763 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 202, 48) NL pseudopotentials 0.26 Mb ( 101, 168) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1036) G-vector shells 0.00 Mb ( 310) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 202, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.25 Mb ( 168, 2, 48) The potential is recalculated from file : ./ZrFe2.save/charge-density.dat Starting wfc are 108 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.4 secs Computing kpt #: 8 total cpu time spent up to now is 8.1 secs Computing kpt #: 9 total cpu time spent up to now is 8.9 secs Computing kpt #: 10 total cpu time spent up to now is 9.6 secs Computing kpt #: 11 total cpu time spent up to now is 10.3 secs Computing kpt #: 12 total cpu time spent up to now is 10.8 secs Computing kpt #: 13 total cpu time spent up to now is 11.4 secs Computing kpt #: 14 total cpu time spent up to now is 12.0 secs Computing kpt #: 15 total cpu time spent up to now is 12.7 secs Computing kpt #: 16 total cpu time spent up to now is 13.3 secs Computing kpt #: 17 total cpu time spent up to now is 13.9 secs Computing kpt #: 18 total cpu time spent up to now is 14.6 secs Computing kpt #: 19 total cpu time spent up to now is 15.3 secs Computing kpt #: 20 total cpu time spent up to now is 15.9 secs Computing kpt #: 21 total cpu time spent up to now is 16.6 secs Computing kpt #: 22 total cpu time spent up to now is 17.2 secs Computing kpt #: 23 total cpu time spent up to now is 17.8 secs Computing kpt #: 24 total cpu time spent up to now is 18.4 secs Computing kpt #: 25 total cpu time spent up to now is 19.0 secs Computing kpt #: 26 total cpu time spent up to now is 19.5 secs Computing kpt #: 27 total cpu time spent up to now is 20.1 secs Computing kpt #: 28 total cpu time spent up to now is 20.7 secs Computing kpt #: 29 total cpu time spent up to now is 21.2 secs Computing kpt #: 30 total cpu time spent up to now is 21.8 secs Computing kpt #: 31 total cpu time spent up to now is 22.4 secs Computing kpt #: 32 total cpu time spent up to now is 22.9 secs Computing kpt #: 33 total cpu time spent up to now is 23.5 secs Computing kpt #: 34 total cpu time spent up to now is 24.0 secs Computing kpt #: 35 total cpu time spent up to now is 24.6 secs Computing kpt #: 36 total cpu time spent up to now is 25.2 secs Computing kpt #: 37 total cpu time spent up to now is 25.7 secs Computing kpt #: 38 total cpu time spent up to now is 26.3 secs Computing kpt #: 39 total cpu time spent up to now is 26.8 secs Computing kpt #: 40 total cpu time spent up to now is 27.4 secs Computing kpt #: 41 total cpu time spent up to now is 28.0 secs Computing kpt #: 42 total cpu time spent up to now is 28.5 secs Computing kpt #: 43 total cpu time spent up to now is 29.1 secs Computing kpt #: 44 total cpu time spent up to now is 29.7 secs Computing kpt #: 45 total cpu time spent up to now is 30.2 secs Computing kpt #: 46 total cpu time spent up to now is 30.8 secs Computing kpt #: 47 total cpu time spent up to now is 31.4 secs Computing kpt #: 48 total cpu time spent up to now is 31.9 secs Computing kpt #: 49 total cpu time spent up to now is 32.5 secs Computing kpt #: 50 total cpu time spent up to now is 33.0 secs Computing kpt #: 51 total cpu time spent up to now is 33.6 secs Computing kpt #: 52 total cpu time spent up to now is 34.2 secs Computing kpt #: 53 total cpu time spent up to now is 34.8 secs Computing kpt #: 54 total cpu time spent up to now is 35.3 secs Computing kpt #: 55 total cpu time spent up to now is 35.9 secs Computing kpt #: 56 total cpu time spent up to now is 36.5 secs Computing kpt #: 57 total cpu time spent up to now is 37.1 secs Computing kpt #: 58 total cpu time spent up to now is 37.6 secs Computing kpt #: 59 total cpu time spent up to now is 38.2 secs Computing kpt #: 60 total cpu time spent up to now is 38.7 secs Computing kpt #: 61 total cpu time spent up to now is 39.3 secs Computing kpt #: 62 total cpu time spent up to now is 39.9 secs Computing kpt #: 63 total cpu time spent up to now is 40.4 secs Computing kpt #: 64 total cpu time spent up to now is 41.0 secs Computing kpt #: 65 total cpu time spent up to now is 41.5 secs Computing kpt #: 66 total cpu time spent up to now is 42.1 secs Computing kpt #: 67 total cpu time spent up to now is 42.7 secs Computing kpt #: 68 total cpu time spent up to now is 43.3 secs Computing kpt #: 69 total cpu time spent up to now is 44.0 secs Computing kpt #: 70 total cpu time spent up to now is 44.5 secs Computing kpt #: 71 total cpu time spent up to now is 45.1 secs Computing kpt #: 72 total cpu time spent up to now is 45.7 secs Computing kpt #: 73 total cpu time spent up to now is 46.2 secs Computing kpt #: 74 total cpu time spent up to now is 46.8 secs Computing kpt #: 75 total cpu time spent up to now is 47.5 secs Computing kpt #: 76 total cpu time spent up to now is 48.1 secs Computing kpt #: 77 total cpu time spent up to now is 48.7 secs Computing kpt #: 78 total cpu time spent up to now is 49.3 secs Computing kpt #: 79 total cpu time spent up to now is 49.9 secs Computing kpt #: 80 total cpu time spent up to now is 50.5 secs Computing kpt #: 81 total cpu time spent up to now is 51.1 secs Computing kpt #: 82 total cpu time spent up to now is 51.8 secs Computing kpt #: 83 total cpu time spent up to now is 52.5 secs Computing kpt #: 84 total cpu time spent up to now is 53.0 secs Computing kpt #: 85 total cpu time spent up to now is 53.7 secs Computing kpt #: 86 total cpu time spent up to now is 54.3 secs Computing kpt #: 87 total cpu time spent up to now is 54.9 secs Computing kpt #: 88 total cpu time spent up to now is 55.4 secs Computing kpt #: 89 total cpu time spent up to now is 56.0 secs Computing kpt #: 90 total cpu time spent up to now is 56.6 secs Computing kpt #: 91 total cpu time spent up to now is 57.1 secs Computing kpt #: 92 total cpu time spent up to now is 57.8 secs Computing kpt #: 93 total cpu time spent up to now is 58.6 secs Computing kpt #: 94 total cpu time spent up to now is 59.4 secs Computing kpt #: 95 total cpu time spent up to now is 60.3 secs Computing kpt #: 96 total cpu time spent up to now is 61.1 secs Computing kpt #: 97 total cpu time spent up to now is 61.9 secs Computing kpt #: 98 total cpu time spent up to now is 62.8 secs Computing kpt #: 99 total cpu time spent up to now is 63.7 secs Computing kpt #: 100 total cpu time spent up to now is 64.5 secs Computing kpt #: 101 total cpu time spent up to now is 65.4 secs Computing kpt #: 102 total cpu time spent up to now is 66.2 secs Computing kpt #: 103 total cpu time spent up to now is 67.1 secs Computing kpt #: 104 total cpu time spent up to now is 68.0 secs Computing kpt #: 105 total cpu time spent up to now is 68.8 secs Computing kpt #: 106 total cpu time spent up to now is 69.6 secs Computing kpt #: 107 total cpu time spent up to now is 70.5 secs Computing kpt #: 108 total cpu time spent up to now is 71.3 secs Computing kpt #: 109 total cpu time spent up to now is 72.1 secs Computing kpt #: 110 total cpu time spent up to now is 72.9 secs Computing kpt #: 111 total cpu time spent up to now is 73.7 secs Computing kpt #: 112 total cpu time spent up to now is 74.4 secs Computing kpt #: 113 total cpu time spent up to now is 75.2 secs Computing kpt #: 114 total cpu time spent up to now is 76.0 secs Computing kpt #: 115 total cpu time spent up to now is 76.8 secs Computing kpt #: 116 total cpu time spent up to now is 77.6 secs Computing kpt #: 117 total cpu time spent up to now is 78.4 secs Computing kpt #: 118 total cpu time spent up to now is 79.1 secs Computing kpt #: 119 total cpu time spent up to now is 79.8 secs Computing kpt #: 120 total cpu time spent up to now is 80.5 secs Computing kpt #: 121 total cpu time spent up to now is 81.2 secs Computing kpt #: 122 total cpu time spent up to now is 81.9 secs Computing kpt #: 123 total cpu time spent up to now is 82.6 secs Computing kpt #: 124 total cpu time spent up to now is 83.3 secs Computing kpt #: 125 total cpu time spent up to now is 84.0 secs Computing kpt #: 126 total cpu time spent up to now is 84.7 secs Computing kpt #: 127 total cpu time spent up to now is 85.5 secs Computing kpt #: 128 total cpu time spent up to now is 86.3 secs Computing kpt #: 129 total cpu time spent up to now is 87.0 secs Computing kpt #: 130 total cpu time spent up to now is 87.9 secs Computing kpt #: 131 total cpu time spent up to now is 88.8 secs Computing kpt #: 132 total cpu time spent up to now is 89.4 secs Computing kpt #: 133 total cpu time spent up to now is 90.1 secs Computing kpt #: 134 total cpu time spent up to now is 90.9 secs Computing kpt #: 135 total cpu time spent up to now is 91.6 secs Computing kpt #: 136 total cpu time spent up to now is 92.4 secs Computing kpt #: 137 total cpu time spent up to now is 93.5 secs Computing kpt #: 138 total cpu time spent up to now is 94.3 secs Computing kpt #: 139 total cpu time spent up to now is 95.0 secs Computing kpt #: 140 total cpu time spent up to now is 96.2 secs Computing kpt #: 141 total cpu time spent up to now is 97.2 secs Computing kpt #: 142 total cpu time spent up to now is 98.0 secs Computing kpt #: 143 total cpu time spent up to now is 98.9 secs Computing kpt #: 144 total cpu time spent up to now is 99.6 secs Computing kpt #: 145 total cpu time spent up to now is 100.4 secs Computing kpt #: 146 total cpu time spent up to now is 101.0 secs Computing kpt #: 147 total cpu time spent up to now is 101.7 secs Computing kpt #: 148 total cpu time spent up to now is 102.3 secs Computing kpt #: 149 total cpu time spent up to now is 102.8 secs Computing kpt #: 150 total cpu time spent up to now is 103.5 secs Computing kpt #: 151 total cpu time spent up to now is 104.2 secs Computing kpt #: 152 total cpu time spent up to now is 104.9 secs Computing kpt #: 153 total cpu time spent up to now is 105.5 secs Computing kpt #: 154 total cpu time spent up to now is 106.2 secs Computing kpt #: 155 total cpu time spent up to now is 106.9 secs Computing kpt #: 156 total cpu time spent up to now is 107.6 secs Computing kpt #: 157 total cpu time spent up to now is 108.2 secs Computing kpt #: 158 total cpu time spent up to now is 108.9 secs Computing kpt #: 159 total cpu time spent up to now is 109.6 secs Computing kpt #: 160 total cpu time spent up to now is 110.4 secs Computing kpt #: 161 total cpu time spent up to now is 111.3 secs Computing kpt #: 162 total cpu time spent up to now is 112.3 secs Computing kpt #: 163 total cpu time spent up to now is 113.3 secs Computing kpt #: 164 total cpu time spent up to now is 114.3 secs Computing kpt #: 165 total cpu time spent up to now is 115.2 secs Computing kpt #: 166 total cpu time spent up to now is 116.1 secs Computing kpt #: 167 total cpu time spent up to now is 117.0 secs Computing kpt #: 168 total cpu time spent up to now is 117.8 secs Computing kpt #: 169 total cpu time spent up to now is 118.7 secs Computing kpt #: 170 total cpu time spent up to now is 119.6 secs Computing kpt #: 171 total cpu time spent up to now is 120.8 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.4 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.9 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.5 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 127.0 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.5 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.0 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.8 secs Computing kpt #: 179 total cpu time spent up to now is 132.7 secs Computing kpt #: 180 total cpu time spent up to now is 133.6 secs Computing kpt #: 181 total cpu time spent up to now is 134.4 secs Computing kpt #: 182 total cpu time spent up to now is 135.3 secs Computing kpt #: 183 total cpu time spent up to now is 136.1 secs Computing kpt #: 184 total cpu time spent up to now is 137.1 secs Computing kpt #: 185 total cpu time spent up to now is 138.1 secs Computing kpt #: 186 total cpu time spent up to now is 139.0 secs Computing kpt #: 187 total cpu time spent up to now is 140.0 secs Computing kpt #: 188 total cpu time spent up to now is 141.0 secs Computing kpt #: 189 total cpu time spent up to now is 141.9 secs Computing kpt #: 190 total cpu time spent up to now is 142.9 secs Computing kpt #: 191 total cpu time spent up to now is 144.1 secs Computing kpt #: 192 total cpu time spent up to now is 145.4 secs Computing kpt #: 193 total cpu time spent up to now is 147.0 secs Computing kpt #: 194 total cpu time spent up to now is 148.2 secs Computing kpt #: 195 total cpu time spent up to now is 149.3 secs Computing kpt #: 196 total cpu time spent up to now is 150.2 secs Computing kpt #: 197 total cpu time spent up to now is 151.1 secs Computing kpt #: 198 total cpu time spent up to now is 151.8 secs Computing kpt #: 199 total cpu time spent up to now is 152.7 secs Computing kpt #: 200 total cpu time spent up to now is 153.2 secs Computing kpt #: 201 total cpu time spent up to now is 153.9 secs Computing kpt #: 202 total cpu time spent up to now is 154.4 secs Computing kpt #: 203 total cpu time spent up to now is 155.0 secs Computing kpt #: 204 total cpu time spent up to now is 155.6 secs Computing kpt #: 205 total cpu time spent up to now is 156.1 secs Computing kpt #: 206 total cpu time spent up to now is 156.7 secs Computing kpt #: 207 total cpu time spent up to now is 157.3 secs Computing kpt #: 208 total cpu time spent up to now is 157.8 secs Computing kpt #: 209 total cpu time spent up to now is 158.4 secs Computing kpt #: 210 total cpu time spent up to now is 159.0 secs Computing kpt #: 211 total cpu time spent up to now is 159.6 secs Computing kpt #: 212 total cpu time spent up to now is 160.3 secs Computing kpt #: 213 total cpu time spent up to now is 160.8 secs Computing kpt #: 214 total cpu time spent up to now is 161.4 secs Computing kpt #: 215 total cpu time spent up to now is 162.1 secs Computing kpt #: 216 total cpu time spent up to now is 162.7 secs Computing kpt #: 217 total cpu time spent up to now is 163.4 secs Computing kpt #: 218 total cpu time spent up to now is 164.0 secs Computing kpt #: 219 total cpu time spent up to now is 164.7 secs Computing kpt #: 220 total cpu time spent up to now is 165.3 secs Computing kpt #: 221 total cpu time spent up to now is 165.9 secs Computing kpt #: 222 total cpu time spent up to now is 166.5 secs Computing kpt #: 223 total cpu time spent up to now is 167.1 secs Computing kpt #: 224 total cpu time spent up to now is 167.8 secs Computing kpt #: 225 total cpu time spent up to now is 168.5 secs Computing kpt #: 226 total cpu time spent up to now is 169.1 secs Computing kpt #: 227 total cpu time spent up to now is 169.8 secs Computing kpt #: 228 total cpu time spent up to now is 170.5 secs Computing kpt #: 229 total cpu time spent up to now is 171.3 secs Computing kpt #: 230 total cpu time spent up to now is 171.9 secs Computing kpt #: 231 total cpu time spent up to now is 172.7 secs Computing kpt #: 232 total cpu time spent up to now is 173.4 secs Computing kpt #: 233 total cpu time spent up to now is 174.2 secs Computing kpt #: 234 total cpu time spent up to now is 174.9 secs Computing kpt #: 235 total cpu time spent up to now is 175.8 secs Computing kpt #: 236 total cpu time spent up to now is 176.7 secs Computing kpt #: 237 total cpu time spent up to now is 177.6 secs Computing kpt #: 238 total cpu time spent up to now is 178.7 secs Computing kpt #: 239 total cpu time spent up to now is 179.8 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.4 secs Computing kpt #: 241 total cpu time spent up to now is 182.4 secs Computing kpt #: 242 total cpu time spent up to now is 183.5 secs Computing kpt #: 243 total cpu time spent up to now is 184.5 secs Computing kpt #: 244 total cpu time spent up to now is 185.4 secs Computing kpt #: 245 total cpu time spent up to now is 186.4 secs Computing kpt #: 246 total cpu time spent up to now is 187.3 secs Computing kpt #: 247 total cpu time spent up to now is 188.3 secs Computing kpt #: 248 total cpu time spent up to now is 189.2 secs Computing kpt #: 249 total cpu time spent up to now is 190.1 secs Computing kpt #: 250 total cpu time spent up to now is 190.9 secs Computing kpt #: 251 total cpu time spent up to now is 191.8 secs Computing kpt #: 252 total cpu time spent up to now is 192.6 secs Computing kpt #: 253 total cpu time spent up to now is 193.5 secs Computing kpt #: 254 total cpu time spent up to now is 194.8 secs Computing kpt #: 255 total cpu time spent up to now is 195.6 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.1 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.6 secs Computing kpt #: 258 total cpu time spent up to now is 199.5 secs Computing kpt #: 259 total cpu time spent up to now is 200.4 secs Computing kpt #: 260 total cpu time spent up to now is 201.3 secs Computing kpt #: 261 total cpu time spent up to now is 202.1 secs Computing kpt #: 262 total cpu time spent up to now is 203.0 secs Computing kpt #: 263 total cpu time spent up to now is 203.9 secs Computing kpt #: 264 total cpu time spent up to now is 204.8 secs Computing kpt #: 265 total cpu time spent up to now is 205.8 secs Computing kpt #: 266 total cpu time spent up to now is 206.7 secs Computing kpt #: 267 total cpu time spent up to now is 207.7 secs Computing kpt #: 268 total cpu time spent up to now is 208.7 secs Computing kpt #: 269 total cpu time spent up to now is 209.7 secs Computing kpt #: 270 total cpu time spent up to now is 210.8 secs Computing kpt #: 271 total cpu time spent up to now is 211.8 secs Computing kpt #: 272 total cpu time spent up to now is 212.9 secs Computing kpt #: 273 total cpu time spent up to now is 214.0 secs Computing kpt #: 274 total cpu time spent up to now is 215.1 secs Computing kpt #: 275 total cpu time spent up to now is 215.9 secs Computing kpt #: 276 total cpu time spent up to now is 216.6 secs Computing kpt #: 277 total cpu time spent up to now is 217.3 secs Computing kpt #: 278 total cpu time spent up to now is 218.1 secs Computing kpt #: 279 total cpu time spent up to now is 218.7 secs Computing kpt #: 280 total cpu time spent up to now is 219.3 secs Computing kpt #: 281 total cpu time spent up to now is 219.9 secs Computing kpt #: 282 total cpu time spent up to now is 220.5 secs Computing kpt #: 283 total cpu time spent up to now is 221.1 secs Computing kpt #: 284 total cpu time spent up to now is 221.7 secs Computing kpt #: 285 total cpu time spent up to now is 222.2 secs Computing kpt #: 286 total cpu time spent up to now is 222.8 secs Computing kpt #: 287 total cpu time spent up to now is 223.4 secs Computing kpt #: 288 total cpu time spent up to now is 223.9 secs Computing kpt #: 289 total cpu time spent up to now is 224.5 secs Computing kpt #: 290 total cpu time spent up to now is 225.1 secs Computing kpt #: 291 total cpu time spent up to now is 225.6 secs Computing kpt #: 292 total cpu time spent up to now is 226.2 secs Computing kpt #: 293 total cpu time spent up to now is 226.8 secs Computing kpt #: 294 total cpu time spent up to now is 227.4 secs Computing kpt #: 295 total cpu time spent up to now is 227.9 secs Computing kpt #: 296 total cpu time spent up to now is 228.5 secs Computing kpt #: 297 total cpu time spent up to now is 229.1 secs Computing kpt #: 298 total cpu time spent up to now is 229.6 secs Computing kpt #: 299 total cpu time spent up to now is 230.2 secs Computing kpt #: 300 total cpu time spent up to now is 230.8 secs Computing kpt #: 301 total cpu time spent up to now is 231.3 secs ethr = 2.50E-08, avg # of iterations = 34.3 total cpu time spent up to now is 231.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3647 PWs) bands (ev): 3.7486 3.7486 7.2512 7.2512 7.6950 7.6950 7.7172 7.7172 7.7172 7.7172 8.7112 8.7112 8.7309 8.7309 8.7309 8.7309 8.9465 8.9465 8.9465 8.9465 9.6487 9.6487 9.6487 9.6487 10.5837 10.5837 10.6430 10.6430 10.6430 10.6430 10.6566 10.6566 10.6566 10.6566 10.7209 10.7209 10.8819 10.8819 10.8819 10.8819 10.9274 10.9274 10.9274 10.9274 10.9965 10.9965 12.1536 12.1537 k = 0.0111-0.0064 0.0091 ( 3603 PWs) bands (ev): 3.7505 3.7505 7.2519 7.2519 7.6952 7.6952 7.7167 7.7167 7.7182 7.7182 8.7108 8.7108 8.7299 8.7299 8.7311 8.7311 8.9470 8.9470 8.9471 8.9471 9.6480 9.6480 9.6509 9.6509 10.5752 10.5752 10.6370 10.6370 10.6447 10.6447 10.6554 10.6554 10.6565 10.6565 10.7245 10.7245 10.8820 10.8820 10.8847 10.8847 10.9287 10.9287 10.9297 10.9297 10.9982 10.9982 12.1540 12.1540 k = 0.0222-0.0128 0.0181 ( 3603 PWs) bands (ev): 3.7560 3.7560 7.2537 7.2537 7.6946 7.6946 7.7156 7.7156 7.7208 7.7208 8.7089 8.7089 8.7270 8.7270 8.7315 8.7315 8.9479 8.9479 8.9483 8.9483 9.6462 9.6462 9.6574 9.6574 10.5554 10.5554 10.6206 10.6206 10.6319 10.6319 10.6572 10.6572 10.6645 10.6645 10.7321 10.7321 10.8819 10.8819 10.8921 10.8921 10.9323 10.9323 10.9359 10.9359 11.0025 11.0025 12.1549 12.1549 k = 0.0333-0.0192 0.0272 ( 3611 PWs) bands (ev): 3.7651 3.7651 7.2566 7.2566 7.6913 7.6913 7.7162 7.7162 7.7251 7.7251 8.7041 8.7041 8.7242 8.7242 8.7322 8.7322 8.9494 8.9494 8.9501 8.9501 9.6431 9.6431 9.6677 9.6677 10.5301 10.5301 10.5983 10.5983 10.6080 10.6080 10.6591 10.6591 10.6763 10.6763 10.7395 10.7395 10.8817 10.8817 10.9025 10.9025 10.9382 10.9382 10.9462 10.9462 11.0097 11.0097 12.1520 12.1560 k = 0.0444-0.0257 0.0363 ( 3603 PWs) bands (ev): 3.7779 3.7779 7.2608 7.2608 7.6838 7.6838 7.7201 7.7201 7.7312 7.7312 8.6955 8.6955 8.7229 8.7229 8.7331 8.7331 8.9515 8.9515 8.9528 8.9528 9.6388 9.6388 9.6812 9.6812 10.5014 10.5014 10.5726 10.5726 10.5774 10.5774 10.6619 10.6619 10.6864 10.6864 10.7449 10.7449 10.8813 10.8813 10.9142 10.9142 10.9465 10.9465 10.9601 10.9601 11.0198 11.0198 12.0679 12.0679 k = 0.0556-0.0321 0.0454 ( 3611 PWs) bands (ev): 3.7943 3.7943 7.2662 7.2662 7.6723 7.6723 7.7267 7.7267 7.7389 7.7389 8.6837 8.6837 8.7231 8.7231 8.7343 8.7343 8.9541 8.9541 8.9562 8.9562 9.6335 9.6335 9.6970 9.6970 10.4697 10.4697 10.5422 10.5422 10.5448 10.5448 10.6655 10.6655 10.6937 10.6937 10.7479 10.7479 10.8806 10.8806 10.9258 10.9258 10.9573 10.9573 10.9767 10.9767 11.0324 11.0324 11.9799 11.9799 k = 0.0667-0.0385 0.0544 ( 3603 PWs) bands (ev): 3.8143 3.8143 7.2728 7.2728 7.6576 7.6576 7.7358 7.7358 7.7483 7.7483 8.6699 8.6699 8.7242 8.7242 8.7359 8.7359 8.9572 8.9572 8.9603 8.9603 9.6272 9.6272 9.7142 9.7142 10.4344 10.4344 10.5043 10.5043 10.5156 10.5156 10.6699 10.6699 10.6982 10.6982 10.7489 10.7489 10.8797 10.8797 10.9366 10.9366 10.9707 10.9707 10.9955 10.9955 11.0472 11.0472 11.8905 11.8905 k = 0.0778-0.0449 0.0635 ( 3603 PWs) bands (ev): 3.8378 3.8378 7.2805 7.2805 7.6401 7.6401 7.7468 7.7468 7.7594 7.7594 8.6549 8.6549 8.7260 8.7260 8.7379 8.7379 8.9609 8.9609 8.9651 8.9651 9.6200 9.6200 9.7319 9.7319 10.3946 10.3946 10.4656 10.4656 10.4852 10.4852 10.6748 10.6748 10.6996 10.6996 10.7483 10.7483 10.8785 10.8785 10.9464 10.9464 10.9863 10.9863 11.0155 11.0155 11.0639 11.0639 11.8008 11.8008 k = 0.0889-0.0513 0.0726 ( 3607 PWs) bands (ev): 3.8650 3.8650 7.2894 7.2894 7.6201 7.6201 7.7596 7.7596 7.7721 7.7721 8.6394 8.6394 8.7284 8.7284 8.7403 8.7403 8.9649 8.9649 8.9706 8.9706 9.6121 9.6121 9.7492 9.7492 10.3496 10.3496 10.4276 10.4276 10.4540 10.4540 10.6795 10.6795 10.6983 10.6983 10.7473 10.7473 10.8771 10.8771 10.9552 10.9552 11.0038 11.0038 11.0361 11.0361 11.0819 11.0819 11.7114 11.7114 k = 0.1000-0.0577 0.0816 ( 3599 PWs) bands (ev): 3.8956 3.8956 7.2995 7.2995 7.5977 7.5977 7.7741 7.7741 7.7864 7.7864 8.6237 8.6237 8.7314 8.7314 8.7433 8.7433 8.9693 8.9693 8.9769 8.9769 9.6035 9.6035 9.7651 9.7651 10.2992 10.2992 10.3909 10.3909 10.4220 10.4220 10.6832 10.6832 10.6946 10.6946 10.7471 10.7471 10.8757 10.8757 10.9632 10.9632 11.0226 11.0226 11.0568 11.0568 11.1008 11.1008 11.6228 11.6228 k = 0.1111-0.0642 0.0907 ( 3599 PWs) bands (ev): 3.9297 3.9297 7.3107 7.3107 7.5734 7.5734 7.7903 7.7903 7.8022 7.8022 8.6083 8.6083 8.7350 8.7350 8.7468 8.7468 8.9741 8.9741 8.9838 8.9838 9.5944 9.5944 9.7790 9.7790 10.2440 10.2440 10.3554 10.3554 10.3893 10.3893 10.6845 10.6845 10.6887 10.6887 10.7489 10.7489 10.8741 10.8741 10.9707 10.9707 11.0424 11.0424 11.0772 11.0772 11.1202 11.1202 11.5356 11.5356 k = 0.1222-0.0706 0.0998 ( 3599 PWs) bands (ev): 3.9673 3.9673 7.3230 7.3230 7.5471 7.5471 7.8080 7.8080 7.8196 7.8196 8.5934 8.5934 8.7393 8.7393 8.7509 8.7509 8.9790 8.9790 8.9913 8.9913 9.5848 9.5848 9.7902 9.7902 10.1850 10.1850 10.3206 10.3206 10.3559 10.3559 10.6809 10.6809 10.6824 10.6824 10.7538 10.7538 10.8723 10.8723 10.9778 10.9778 11.0628 11.0628 11.0968 11.0968 11.1397 11.1397 11.4504 11.4504 k = 0.1333-0.0770 0.1089 ( 3607 PWs) bands (ev): 4.0083 4.0083 7.3365 7.3365 7.5194 7.5194 7.8272 7.8272 7.8384 7.8384 8.5789 8.5789 8.7443 8.7443 8.7557 8.7557 8.9841 8.9841 8.9994 8.9994 9.5749 9.5749 9.7982 9.7982 10.1230 10.1230 10.2860 10.2860 10.3218 10.3218 10.6716 10.6716 10.6771 10.6771 10.7610 10.7610 10.8702 10.8702 10.9844 10.9844 11.0834 11.0834 11.1154 11.1154 11.1591 11.1591 11.3682 11.3682 k = 0.1444-0.0834 0.1179 ( 3607 PWs) bands (ev): 4.0525 4.0525 7.3510 7.3510 7.4903 7.4903 7.8479 7.8479 7.8586 7.8586 8.5652 8.5652 8.7502 8.7502 8.7613 8.7613 8.9892 8.9892 9.0082 9.0082 9.5648 9.5648 9.8027 9.8027 10.0586 10.0586 10.2513 10.2513 10.2871 10.2871 10.6609 10.6609 10.6692 10.6692 10.7691 10.7691 10.8675 10.8675 10.9909 10.9909 11.1038 11.1038 11.1325 11.1325 11.1782 11.1782 11.2906 11.2906 k = 0.1556-0.0898 0.1270 ( 3595 PWs) bands (ev): 4.1001 4.1001 7.3666 7.3666 7.4603 7.4603 7.8700 7.8700 7.8801 7.8801 8.5522 8.5522 8.7570 8.7570 8.7678 8.7678 8.9943 8.9943 9.0175 9.0175 9.5546 9.5546 9.8033 9.8033 9.9925 9.9925 10.2165 10.2165 10.2517 10.2517 10.6491 10.6491 10.6595 10.6595 10.7757 10.7757 10.8635 10.8635 10.9973 10.9973 11.1236 11.1236 11.1471 11.1471 11.1967 11.1967 11.2207 11.2207 k = 0.1667-0.0962 0.1361 ( 3603 PWs) bands (ev): 4.1509 4.1509 7.3832 7.3832 7.4295 7.4295 7.8933 7.8933 7.9029 7.9029 8.5396 8.5396 8.7647 8.7647 8.7753 8.7753 8.9990 8.9990 9.0273 9.0273 9.5444 9.5444 9.8000 9.8000 9.9251 9.9251 10.1812 10.1812 10.2156 10.2156 10.6362 10.6362 10.6484 10.6484 10.7775 10.7775 10.8571 10.8571 11.0035 11.0035 11.1422 11.1422 11.1466 11.1466 11.1748 11.1748 11.2145 11.2145 k = 0.1778-0.1026 0.1452 ( 3603 PWs) bands (ev): 4.2048 4.2048 7.3982 7.3982 7.4009 7.4009 7.9179 7.9179 7.9269 7.9269 8.5276 8.5276 8.7735 8.7735 8.7838 8.7838 9.0033 9.0033 9.0376 9.0376 9.5342 9.5342 9.7927 9.7927 9.8572 9.8572 10.1454 10.1454 10.1787 10.1787 10.6225 10.6225 10.6363 10.6363 10.7688 10.7688 10.8484 10.8484 11.0100 11.0100 11.1094 11.1094 11.1593 11.1593 11.1793 11.1793 11.2313 11.2313 k = 0.1889-0.1091 0.1542 ( 3591 PWs) bands (ev): 4.2618 4.2618 7.3667 7.3667 7.4196 7.4196 7.9437 7.9437 7.9520 7.9520 8.5159 8.5159 8.7835 8.7835 8.7935 8.7935 9.0068 9.0068 9.0483 9.0483 9.5241 9.5241 9.7816 9.7816 9.7892 9.7892 10.1091 10.1091 10.1410 10.1410 10.6081 10.6081 10.6234 10.6234 10.7422 10.7422 10.8409 10.8409 11.0167 11.0167 11.0849 11.0849 11.1744 11.1744 11.1887 11.1887 11.2470 11.2470 k = 0.2000-0.1155 0.1633 ( 3583 PWs) bands (ev): 4.3218 4.3218 7.3351 7.3351 7.4391 7.4391 7.9705 7.9705 7.9782 7.9782 8.5044 8.5044 8.7948 8.7948 8.8044 8.8044 9.0094 9.0094 9.0594 9.0594 9.5143 9.5143 9.7217 9.7217 9.7666 9.7666 10.0721 10.0721 10.1026 10.1026 10.5931 10.5931 10.6097 10.6097 10.6964 10.6964 10.8367 10.8367 11.0237 11.0237 11.0776 11.0776 11.1871 11.1871 11.1965 11.1965 11.2614 11.2614 k = 0.2111-0.1219 0.1724 ( 3587 PWs) bands (ev): 4.3847 4.3847 7.3037 7.3037 7.4596 7.4596 7.9983 7.9983 8.0053 8.0053 8.4929 8.4929 8.8074 8.8074 8.8166 8.8166 9.0104 9.0104 9.0708 9.0708 9.5046 9.5046 9.6556 9.6556 9.7479 9.7479 10.0344 10.0344 10.0633 10.0633 10.5774 10.5774 10.5952 10.5952 10.6377 10.6377 10.8346 10.8346 11.0311 11.0311 11.0831 11.0831 11.1972 11.1972 11.2020 11.2020 11.2742 11.2742 k = 0.2222-0.1283 0.1814 ( 3587 PWs) bands (ev): 4.4503 4.4503 7.2726 7.2726 7.4809 7.4809 8.0270 8.0270 8.0334 8.0334 8.4814 8.4814 8.8214 8.8214 8.8303 8.8303 9.0095 9.0095 9.0826 9.0826 9.4952 9.4952 9.5915 9.5915 9.7257 9.7257 9.9960 9.9960 10.0232 10.0232 10.5611 10.5611 10.5700 10.5700 10.5820 10.5820 10.8333 10.8333 11.0390 11.0390 11.0965 11.0965 11.2044 11.2044 11.2051 11.2051 11.2851 11.2851 k = 0.2333-0.1347 0.1905 ( 3591 PWs) bands (ev): 4.5187 4.5187 7.2421 7.2421 7.5031 7.5031 8.0564 8.0564 8.0622 8.0622 8.4696 8.4696 8.8370 8.8370 8.8455 8.8455 9.0058 9.0058 9.0947 9.0947 9.4860 9.4860 9.5306 9.5306 9.7002 9.7002 9.9568 9.9568 9.9824 9.9824 10.5017 10.5017 10.5441 10.5441 10.5652 10.5652 10.8323 10.8323 11.0475 11.0475 11.1145 11.1145 11.2056 11.2056 11.2087 11.2087 11.2940 11.2940 k = 0.2444-0.1411 0.1996 ( 3591 PWs) bands (ev): 4.5897 4.5897 7.2122 7.2122 7.5260 7.5260 8.0867 8.0867 8.0917 8.0917 8.4572 8.4572 8.8541 8.8541 8.8624 8.8624 8.9985 8.9985 9.1069 9.1069 9.4724 9.4724 9.4789 9.4789 9.6716 9.6716 9.9169 9.9169 9.9408 9.9408 10.4309 10.4309 10.5267 10.5267 10.5489 10.5489 10.8316 10.8316 11.0565 11.0565 11.1352 11.1352 11.2036 11.2036 11.2099 11.2099 11.3005 11.3005 k = 0.2556-0.1475 0.2087 ( 3591 PWs) bands (ev): 4.6631 4.6631 7.1830 7.1830 7.5495 7.5495 8.1175 8.1175 8.1219 8.1219 8.4442 8.4442 8.8730 8.8730 8.8809 8.8809 8.9865 8.9865 9.1193 9.1193 9.4227 9.4227 9.4692 9.4692 9.6400 9.6400 9.8764 9.8764 9.8986 9.8986 10.3598 10.3598 10.5085 10.5085 10.5318 10.5318 10.8311 10.8311 11.0663 11.0663 11.1568 11.1568 11.1993 11.1993 11.2082 11.2082 11.3045 11.3045 k = 0.2667-0.1540 0.2177 ( 3587 PWs) bands (ev): 4.7388 4.7388 7.1546 7.1546 7.5737 7.5737 8.1489 8.1489 8.1526 8.1526 8.4305 8.4305 8.8936 8.8936 8.9010 8.9010 8.9688 8.9688 9.1318 9.1318 9.3788 9.3788 9.4611 9.4611 9.6058 9.6058 9.8351 9.8351 9.8556 9.8556 10.2893 10.2893 10.4896 10.4896 10.5139 10.5139 10.8310 10.8310 11.0767 11.0767 11.1773 11.1773 11.1944 11.1944 11.2037 11.2037 11.3059 11.3059 k = 0.2778-0.1604 0.2268 ( 3583 PWs) bands (ev): 4.8168 4.8168 7.1271 7.1271 7.5983 7.5983 8.1807 8.1807 8.1838 8.1838 8.4156 8.4156 8.9161 8.9161 8.9221 8.9221 8.9456 8.9456 9.1445 9.1445 9.3429 9.3429 9.4535 9.4535 9.5690 9.5690 9.7932 9.7932 9.8121 9.8121 10.2199 10.2199 10.4699 10.4699 10.4950 10.4950 10.8311 10.8311 11.0878 11.0878 11.1798 11.1798 11.1966 11.1966 11.2050 11.2050 11.3049 11.3049 k = 0.2889-0.1668 0.2359 ( 3567 PWs) bands (ev): 4.8967 4.8967 7.1005 7.1005 7.6234 7.6234 8.2130 8.2130 8.2155 8.2155 8.3995 8.3995 8.9124 8.9124 8.9404 8.9404 8.9487 8.9487 9.1571 9.1571 9.3152 9.3152 9.4462 9.4462 9.5298 9.5298 9.7508 9.7508 9.7681 9.7681 10.1520 10.1520 10.4493 10.4493 10.4750 10.4750 10.8318 10.8318 11.0996 11.0996 11.1696 11.1696 11.1871 11.1871 11.2260 11.2260 11.3014 11.3014 k = 0.3000-0.1732 0.2449 ( 3567 PWs) bands (ev): 4.9786 4.9786 7.0747 7.0747 7.6487 7.6487 8.2455 8.2455 8.2475 8.2475 8.3821 8.3821 8.8768 8.8768 8.9665 8.9665 8.9740 8.9740 9.1696 9.1696 9.2952 9.2952 9.4394 9.4394 9.4885 9.4885 9.7079 9.7079 9.7237 9.7237 10.0859 10.0859 10.4277 10.4277 10.4537 10.4537 10.8329 10.8329 11.1119 11.1119 11.1570 11.1570 11.1758 11.1758 11.2471 11.2471 11.2957 11.2957 k = 0.3111-0.1796 0.2540 ( 3559 PWs) bands (ev): 5.0621 5.0621 7.0497 7.0497 7.6740 7.6740 8.2782 8.2782 8.2798 8.2798 8.3632 8.3632 8.8370 8.8370 8.9945 8.9945 9.0016 9.0016 9.1820 9.1820 9.2815 9.2815 9.4329 9.4329 9.4453 9.4453 9.6645 9.6645 9.6789 9.6789 10.0219 10.0219 10.4048 10.4048 10.4311 10.4311 10.8345 10.8345 11.1244 11.1244 11.1430 11.1430 11.1631 11.1631 11.2674 11.2674 11.2880 11.2880 k = 0.3222-0.1860 0.2631 ( 3567 PWs) bands (ev): 5.1471 5.1471 7.0253 7.0253 7.6992 7.6992 8.3109 8.3109 8.3123 8.3123 8.3429 8.3429 8.7949 8.7949 9.0243 9.0243 9.0312 9.0312 9.1941 9.1941 9.2729 9.2729 9.4004 9.4004 9.4267 9.4267 9.6208 9.6208 9.6338 9.6338 9.9603 9.9603 10.3807 10.3807 10.4070 10.4070 10.8368 10.8368 11.1280 11.1280 11.1349 11.1349 11.1515 11.1515 11.2786 11.2786 11.2866 11.2866 k = 0.3333-0.1925 0.2722 ( 3567 PWs) bands (ev): 5.2334 5.2334 7.0015 7.0015 7.7241 7.7241 8.3193 8.3193 8.3451 8.3451 8.3455 8.3455 8.7525 8.7525 9.0559 9.0559 9.0626 9.0626 9.2059 9.2059 9.2680 9.2680 9.3542 9.3542 9.4208 9.4208 9.5769 9.5769 9.5887 9.5887 9.9014 9.9014 10.3552 10.3552 10.3813 10.3813 10.8397 10.8397 11.1126 11.1126 11.1292 11.1292 11.1554 11.1554 11.2679 11.2679 11.3046 11.3046 k = 0.3444-0.1989 0.2812 ( 3567 PWs) bands (ev): 5.3208 5.3208 6.9781 6.9781 7.7483 7.7483 8.2957 8.2957 8.3781 8.3781 8.3784 8.3784 8.7112 8.7112 9.0890 9.0890 9.0957 9.0957 9.2170 9.2170 9.2659 9.2659 9.3071 9.3071 9.4153 9.4153 9.5329 9.5329 9.5436 9.5436 9.8452 9.8452 10.3283 10.3283 10.3538 10.3538 10.8433 10.8433 11.0972 11.0972 11.1144 11.1144 11.1674 11.1674 11.2568 11.2568 11.3213 11.3213 k = 0.3556-0.2053 0.2903 ( 3567 PWs) bands (ev): 5.4090 5.4090 6.9547 6.9547 7.7716 7.7716 8.2700 8.2700 8.4113 8.4113 8.4119 8.4119 8.6722 8.6722 9.1236 9.1236 9.1304 9.1304 9.2253 9.2253 9.2616 9.2616 9.2659 9.2659 9.4101 9.4101 9.4888 9.4888 9.4986 9.4986 9.7921 9.7921 10.2998 10.2998 10.3246 10.3246 10.8477 10.8477 11.0820 11.0820 11.0986 11.0986 11.1786 11.1786 11.2466 11.2466 11.3365 11.3365 k = 0.3667-0.2117 0.2994 ( 3571 PWs) bands (ev): 5.4977 5.4977 6.9312 6.9312 7.7937 7.7937 8.2427 8.2427 8.4447 8.4447 8.4455 8.4455 8.6365 8.6365 9.1588 9.1588 9.1665 9.1665 9.2034 9.2034 9.2458 9.2458 9.2675 9.2675 9.4050 9.4050 9.4450 9.4450 9.4540 9.4540 9.7421 9.7421 10.2698 10.2698 10.2937 10.2937 10.8528 10.8528 11.0674 11.0674 11.0827 11.0827 11.1849 11.1849 11.2407 11.2407 11.3503 11.3503 k = 0.3778-0.2181 0.3085 ( 3579 PWs) bands (ev): 5.5866 5.5866 6.9071 6.9071 7.8142 7.8142 8.2138 8.2138 8.4781 8.4781 8.4793 8.4793 8.6054 8.6054 9.1540 9.1540 9.1970 9.1970 9.2038 9.2038 9.2547 9.2547 9.2703 9.2703 9.3975 9.3975 9.4042 9.4042 9.4100 9.4100 9.6953 9.6953 10.2383 10.2383 10.2611 10.2611 10.8587 10.8587 11.0536 11.0536 11.0671 11.0671 11.1823 11.1823 11.2432 11.2432 11.3624 11.3625 k = 0.3889-0.2245 0.3175 ( 3575 PWs) bands (ev): 5.6755 5.6755 6.8820 6.8820 7.8327 7.8327 8.1839 8.1839 8.5115 8.5115 8.5133 8.5133 8.5797 8.5797 9.1051 9.1051 9.2306 9.2306 9.2417 9.2417 9.2672 9.2672 9.2743 9.2743 9.3579 9.3579 9.3674 9.3674 9.3967 9.3967 9.6517 9.6517 10.2054 10.2054 10.2269 10.2269 10.8655 10.8655 11.0410 11.0410 11.0523 11.0523 11.1718 11.1718 11.2532 11.2532 11.3730 11.3730 k = 0.4000-0.2309 0.3266 ( 3587 PWs) bands (ev): 5.7639 5.7639 6.8555 6.8555 7.8489 7.8489 8.1531 8.1531 8.5424 8.5424 8.5473 8.5473 8.5627 8.5627 9.0556 9.0556 9.2521 9.2521 9.2718 9.2718 9.2852 9.2852 9.2899 9.2899 9.3177 9.3177 9.3285 9.3285 9.3927 9.3927 9.6114 9.6114 10.1712 10.1712 10.1913 10.1913 10.8728 10.8728 11.0296 11.0296 11.0382 11.0382 11.1573 11.1573 11.2665 11.2665 11.3819 11.3819 k = 0.4111-0.2374 0.3357 ( 3591 PWs) bands (ev): 5.8515 5.8515 6.8271 6.8271 7.8626 7.8626 8.1221 8.1221 8.5432 8.5432 8.5813 8.5813 8.5824 8.5824 9.0065 9.0065 9.2489 9.2489 9.2617 9.2617 9.2930 9.2930 9.3027 9.3027 9.3219 9.3219 9.3252 9.3252 9.3901 9.3901 9.5742 9.5742 10.1360 10.1360 10.1545 10.1545 10.8811 10.8811 11.0197 11.0197 11.0250 11.0250 11.1411 11.1411 11.2813 11.2813 11.3890 11.3890 k = 0.4222-0.2438 0.3447 ( 3591 PWs) bands (ev): 5.9379 5.9379 6.7962 6.7962 7.8739 7.8739 8.0914 8.0914 8.5373 8.5373 8.6151 8.6151 8.6156 8.6156 8.9583 8.9583 9.2203 9.2203 9.2249 9.2249 9.2955 9.2955 9.2995 9.2995 9.3548 9.3548 9.3640 9.3640 9.3928 9.3928 9.5402 9.5402 10.1001 10.1001 10.1170 10.1170 10.8901 10.8901 11.0113 11.0113 11.0130 11.0130 11.1240 11.1240 11.2962 11.2962 11.3943 11.3943 k = 0.4333-0.2502 0.3538 ( 3575 PWs) bands (ev): 6.0227 6.0227 6.7623 6.7623 7.8831 7.8831 8.0616 8.0616 8.5376 8.5376 8.6486 8.6486 8.6493 8.6493 8.9112 8.9112 9.1830 9.1830 9.1851 9.1851 9.3024 9.3024 9.3048 9.3048 9.3682 9.3682 9.4034 9.4034 9.4151 9.4151 9.5093 9.5093 10.0641 10.0641 10.0793 10.0793 10.8997 10.8997 11.0022 11.0022 11.0048 11.0048 11.1067 11.1067 11.3110 11.3110 11.3979 11.3979 k = 0.4444-0.2566 0.3629 ( 3571 PWs) bands (ev): 6.1053 6.1053 6.7248 6.7248 7.8906 7.8906 8.0333 8.0333 8.5445 8.5445 8.6812 8.6812 8.6827 8.6827 8.8659 8.8659 9.1447 9.1447 9.1461 9.1461 9.3107 9.3107 9.3116 9.3116 9.3678 9.3678 9.4412 9.4412 9.4503 9.4503 9.4821 9.4821 10.0285 10.0285 10.0420 10.0420 10.9098 10.9098 10.9923 10.9923 11.0000 11.0000 11.0894 11.0894 11.3253 11.3253 11.3996 11.3996 k = 0.4556-0.2630 0.3720 ( 3563 PWs) bands (ev): 6.1854 6.1854 6.6832 6.6832 7.8973 7.8973 8.0073 8.0073 8.5576 8.5576 8.7117 8.7117 8.7151 8.7151 8.8231 8.8231 9.1078 9.1078 9.1090 9.1090 9.3187 9.3187 9.3202 9.3202 9.3647 9.3647 9.4519 9.4519 9.4828 9.4828 9.4861 9.4861 9.9945 9.9945 10.0060 10.0060 10.9200 10.9200 10.9835 10.9835 10.9974 10.9974 11.0724 11.0724 11.3389 11.3389 11.3996 11.3996 k = 0.4667-0.2694 0.3810 ( 3568 PWs) bands (ev): 6.2623 6.2623 6.6371 6.6371 7.9039 7.9039 7.9838 7.9838 8.5762 8.5762 8.7348 8.7348 8.7456 8.7456 8.7872 8.7872 9.0738 9.0738 9.0750 9.0750 9.3254 9.3254 9.3307 9.3307 9.3609 9.3609 9.4303 9.4303 9.5148 9.5148 9.5188 9.5188 9.9638 9.9638 9.9731 9.9731 10.9300 10.9300 10.9757 10.9757 10.9973 10.9973 11.0562 11.0562 11.3514 11.3514 11.3976 11.3976 k = 0.4778-0.2758 0.3901 ( 3572 PWs) bands (ev): 6.3358 6.3358 6.5864 6.5864 7.9113 7.9113 7.9633 7.9633 8.5998 8.5998 8.7255 8.7255 8.7721 8.7721 8.7818 8.7818 9.0449 9.0449 9.0459 9.0459 9.3318 9.3318 9.3415 9.3415 9.3577 9.3577 9.4097 9.4097 9.5425 9.5425 9.5458 9.5458 9.9386 9.9386 9.9453 9.9453 10.9394 10.9394 10.9686 10.9686 11.0001 11.0001 11.0409 11.0409 11.3628 11.3628 11.3940 11.3940 k = 0.4889-0.2823 0.3992 ( 3572 PWs) bands (ev): 6.4052 6.4052 6.5307 6.5307 7.9204 7.9204 7.9460 7.9460 8.6276 8.6276 8.6927 8.6927 8.7917 8.7917 8.7949 8.7949 9.0246 9.0246 9.0252 9.0252 9.3377 9.3377 9.3464 9.3464 9.3613 9.3613 9.3910 9.3910 9.5618 9.5618 9.5637 9.5637 9.9222 9.9222 9.9258 9.9258 10.9478 10.9478 10.9619 10.9619 11.0061 11.0061 11.0270 11.0270 11.3728 11.3728 11.3885 11.3885 k = 0.5000-0.2887 0.4082 ( 3572 PWs) bands (ev): 6.4703 6.4703 6.4703 6.4703 7.9318 7.9318 7.9318 7.9318 8.6589 8.6589 8.6589 8.6589 8.7999 8.7999 8.7999 8.7999 9.0173 9.0173 9.0173 9.0173 9.3430 9.3430 9.3430 9.3430 9.3746 9.3746 9.3746 9.3746 9.5694 9.5694 9.5694 9.5694 9.9175 9.9175 9.9175 9.9175 10.9552 10.9552 10.9552 10.9552 11.0152 11.0152 11.0152 11.0152 11.3815 11.3815 11.3815 11.3815 k = 0.5000-0.2887 0.4082 ( 3572 PWs) bands (ev): 6.4703 6.4703 6.4703 6.4703 7.9318 7.9318 7.9318 7.9318 8.6589 8.6589 8.6589 8.6589 8.7999 8.7999 8.7999 8.7999 9.0173 9.0173 9.0173 9.0173 9.3430 9.3430 9.3430 9.3430 9.3746 9.3746 9.3746 9.3746 9.5694 9.5694 9.5694 9.5694 9.9175 9.9175 9.9175 9.9175 10.9552 10.9552 10.9552 10.9552 11.0152 11.0152 11.0152 11.0152 11.3815 11.3815 11.3815 11.3815 k = 0.5000-0.2761 0.4171 ( 3572 PWs) bands (ev): 6.4705 6.4705 6.4714 6.4714 7.9296 7.9296 7.9311 7.9311 8.6574 8.6574 8.6596 8.6596 8.8007 8.8007 8.8014 8.8014 9.0117 9.0117 9.0171 9.0171 9.3383 9.3383 9.3483 9.3483 9.3735 9.3735 9.3740 9.3740 9.5697 9.5697 9.5755 9.5755 9.9176 9.9176 9.9192 9.9192 10.9421 10.9421 10.9616 10.9616 11.0104 11.0104 11.0239 11.0239 11.3824 11.3824 11.3848 11.3848 k = 0.5000-0.2636 0.4260 ( 3570 PWs) bands (ev): 6.4720 6.4720 6.4739 6.4739 7.9246 7.9246 7.9276 7.9276 8.6553 8.6553 8.6596 8.6596 8.8037 8.8037 8.8051 8.8051 9.0010 9.0010 9.0112 9.0112 9.3338 9.3338 9.3523 9.3523 9.3722 9.3722 9.3732 9.3732 9.5762 9.5762 9.5869 9.5869 9.9196 9.9196 9.9227 9.9227 10.9252 10.9252 10.9577 10.9577 11.0130 11.0130 11.0338 11.0338 11.3874 11.3874 11.3920 11.3920 k = 0.5000-0.2510 0.4349 ( 3562 PWs) bands (ev): 6.4749 6.4749 6.4776 6.4776 7.9170 7.9170 7.9213 7.9213 8.6526 8.6526 8.6588 8.6588 8.8088 8.8088 8.8106 8.8106 8.9858 8.9858 9.0000 9.0000 9.3286 9.3286 9.3502 9.3502 9.3731 9.3731 9.3775 9.3775 9.5881 9.5881 9.6018 9.6018 9.9236 9.9236 9.9281 9.9281 10.9058 10.9058 10.9457 10.9457 11.0212 11.0212 11.0440 11.0440 11.3962 11.3962 11.4028 11.4028 k = 0.5000-0.2385 0.4437 ( 3566 PWs) bands (ev): 6.4790 6.4790 6.4827 6.4827 7.9068 7.9068 7.9125 7.9125 8.6494 8.6494 8.6571 8.6571 8.8155 8.8155 8.8174 8.8174 8.9673 8.9673 8.9844 8.9844 9.3219 9.3219 9.3421 9.3421 9.3776 9.3776 9.3873 9.3873 9.6036 9.6036 9.6188 9.6188 9.9293 9.9293 9.9350 9.9350 10.8845 10.8845 10.9295 10.9295 11.0317 11.0317 11.0542 11.0542 11.4083 11.4083 11.4166 11.4166 k = 0.5000-0.2259 0.4526 ( 3560 PWs) bands (ev): 6.4843 6.4843 6.4889 6.4889 7.8944 7.8944 7.9014 7.9014 8.6457 8.6457 8.6546 8.6546 8.8234 8.8234 8.8249 8.8249 8.9465 8.9465 8.9659 8.9659 9.3139 9.3139 9.3315 9.3315 9.3858 9.3858 9.4002 9.4002 9.6213 9.6213 9.6366 9.6366 9.9368 9.9368 9.9436 9.9436 10.8617 10.8617 10.9107 10.9107 11.0432 11.0432 11.0648 11.0648 11.4233 11.4233 11.4328 11.4328 k = 0.5000-0.2134 0.4615 ( 3568 PWs) bands (ev): 6.4908 6.4908 6.4963 6.4963 7.8800 7.8800 7.8881 7.8881 8.6415 8.6415 8.6511 8.6511 8.8314 8.8314 8.8319 8.8319 8.9253 8.9253 8.9463 8.9463 9.3051 9.3051 9.3198 9.3198 9.3973 9.3973 9.4151 9.4151 9.6399 9.6399 9.6544 9.6544 9.9459 9.9459 9.9535 9.9535 10.8378 10.8378 10.8904 10.8904 11.0553 11.0553 11.0758 11.0758 11.4403 11.4403 11.4508 11.4508 k = 0.5000-0.2008 0.4704 ( 3568 PWs) bands (ev): 6.4983 6.4983 6.5048 6.5048 7.8639 7.8639 7.8731 7.8731 8.6368 8.6368 8.6468 8.6468 8.8363 8.8363 8.8372 8.8372 8.9064 8.9064 8.9287 8.9287 9.2958 9.2958 9.3078 9.3078 9.4115 9.4115 9.4316 9.4316 9.6585 9.6585 9.6714 9.6714 9.9563 9.9563 9.9646 9.9646 10.8131 10.8131 10.8692 10.8692 11.0680 11.0680 11.0874 11.0874 11.4590 11.4590 11.4701 11.4701 k = 0.5000-0.1883 0.4792 ( 3576 PWs) bands (ev): 6.5069 6.5069 6.5143 6.5143 7.8464 7.8464 7.8567 7.8567 8.6315 8.6315 8.6413 8.6413 8.8347 8.8347 8.8358 8.8358 8.8955 8.8955 8.9171 8.9171 9.2862 9.2862 9.2958 9.2958 9.4280 9.4280 9.4497 9.4497 9.6764 9.6764 9.6873 9.6873 9.9678 9.9678 9.9767 9.9767 10.7879 10.7879 10.8474 10.8474 11.0813 11.0813 11.0995 11.0995 11.4788 11.4788 11.4904 11.4904 k = 0.5000-0.1757 0.4881 ( 3576 PWs) bands (ev): 6.5162 6.5162 6.5246 6.5246 7.8278 7.8278 7.8391 7.8391 8.6253 8.6253 8.6346 8.6346 8.8239 8.8239 8.8245 8.8245 8.8964 8.8964 8.9149 8.9149 9.2764 9.2764 9.2837 9.2837 9.4464 9.4464 9.4691 9.4691 9.6933 9.6933 9.7019 9.7019 9.9799 9.9799 9.9893 9.9893 10.7625 10.7625 10.8254 10.8254 11.0953 11.0953 11.1124 11.1124 11.4993 11.4993 11.5111 11.5111 k = 0.5000-0.1632 0.4970 ( 3580 PWs) bands (ev): 6.5264 6.5264 6.5357 6.5357 7.8085 7.8085 7.8206 7.8206 8.6182 8.6182 8.6263 8.6263 8.8065 8.8065 8.8081 8.8081 8.9046 8.9046 8.9202 8.9202 9.2665 9.2665 9.2718 9.2718 9.4664 9.4664 9.4897 9.4897 9.7090 9.7090 9.7151 9.7151 9.9922 9.9922 10.0022 10.0022 10.7373 10.7373 10.8036 10.8036 11.1098 11.1098 11.1258 11.1258 11.5200 11.5200 11.5320 11.5320 k = 0.5000-0.1506 0.5059 ( 3572 PWs) bands (ev): 6.5371 6.5371 6.5474 6.5474 7.7886 7.7886 7.8017 7.8017 8.6100 8.6100 8.6164 8.6164 8.7885 8.7885 8.7896 8.7896 8.9160 8.9160 8.9296 8.9296 9.2563 9.2563 9.2599 9.2599 9.4877 9.4877 9.5115 9.5115 9.7233 9.7233 9.7268 9.7268 10.0042 10.0042 10.0148 10.0148 10.7125 10.7125 10.7822 10.7822 11.1249 11.1249 11.1398 11.1398 11.5408 11.5408 11.5529 11.5529 k = 0.5000-0.1381 0.5147 ( 3576 PWs) bands (ev): 6.5482 6.5482 6.5594 6.5594 7.7687 7.7687 7.7825 7.7825 8.6005 8.6005 8.6049 8.6049 8.7715 8.7715 8.7719 8.7719 8.9284 8.9284 8.9408 8.9408 9.2460 9.2460 9.2482 9.2482 9.5102 9.5102 9.5341 9.5341 9.7362 9.7362 9.7371 9.7371 10.0154 10.0154 10.0267 10.0267 10.6884 10.6884 10.7616 10.7616 11.1404 11.1404 11.1540 11.1540 11.5612 11.5612 11.5734 11.5734 k = 0.5000-0.1255 0.5236 ( 3584 PWs) bands (ev): 6.5596 6.5596 6.5717 6.5717 7.7488 7.7488 7.7634 7.7634 8.5898 8.5898 8.5918 8.5918 8.7551 8.7551 8.7577 8.7577 8.9413 8.9413 8.9528 8.9528 9.2356 9.2356 9.2365 9.2365 9.5334 9.5334 9.5573 9.5573 9.7460 9.7460 9.7477 9.7477 10.0255 10.0255 10.0377 10.0377 10.6652 10.6652 10.7419 10.7419 11.1560 11.1560 11.1685 11.1685 11.5812 11.5812 11.5933 11.5933 k = 0.5000-0.1130 0.5325 ( 3590 PWs) bands (ev): 6.5709 6.5709 6.5840 6.5840 7.7295 7.7295 7.7448 7.7448 8.5777 8.5777 8.5782 8.5782 8.7410 8.7410 8.7460 8.7460 8.9542 8.9542 8.9651 8.9651 9.2249 9.2249 9.2251 9.2251 9.5572 9.5572 9.5809 9.5809 9.7535 9.7535 9.7578 9.7578 10.0342 10.0342 10.0472 10.0472 10.6434 10.6434 10.7236 10.7236 11.1717 11.1717 11.1828 11.1828 11.6003 11.6003 11.6124 11.6124 k = 0.5000-0.1004 0.5414 ( 3594 PWs) bands (ev): 6.5821 6.5821 6.5960 6.5960 7.7109 7.7109 7.7269 7.7269 8.5631 8.5631 8.5659 8.5659 8.7293 8.7293 8.7365 8.7365 8.9669 8.9669 8.9774 8.9774 9.2135 9.2135 9.2146 9.2146 9.5813 9.5813 9.6046 9.6046 9.7595 9.7595 9.7664 9.7664 10.0412 10.0412 10.0552 10.0552 10.6231 10.6231 10.7066 10.7066 11.1869 11.1869 11.1969 11.1969 11.6185 11.6185 11.6305 11.6305 k = 0.5000-0.0879 0.5502 ( 3592 PWs) bands (ev): 6.5928 6.5928 6.6076 6.6076 7.6935 7.6935 7.7101 7.7101 8.5488 8.5488 8.5536 8.5536 8.7199 8.7199 8.7292 8.7292 8.9794 8.9794 8.9895 8.9895 9.2024 9.2024 9.2041 9.2041 9.6052 9.6052 9.6280 9.6280 9.7640 9.7640 9.7737 9.7737 10.0467 10.0467 10.0614 10.0614 10.6047 10.6047 10.6914 10.6914 11.2016 11.2016 11.2103 11.2103 11.6354 11.6354 11.6474 11.6474 k = 0.5000-0.0753 0.5591 ( 3596 PWs) bands (ev): 6.6027 6.6027 6.6184 6.6184 7.6774 7.6774 7.6946 7.6946 8.5352 8.5352 8.5417 8.5417 8.7125 8.7125 8.7234 8.7234 8.9912 8.9912 9.0011 9.0011 9.1916 9.1916 9.1939 9.1939 9.6286 9.6286 9.6506 9.6506 9.7669 9.7669 9.7794 9.7794 10.0504 10.0504 10.0658 10.0658 10.5884 10.5884 10.6779 10.6779 11.2152 11.2152 11.2227 11.2227 11.6508 11.6508 11.6628 11.6628 k = 0.5000-0.0628 0.5680 ( 3602 PWs) bands (ev): 6.6117 6.6117 6.6281 6.6281 7.6632 7.6632 7.6809 7.6809 8.5231 8.5231 8.5308 8.5308 8.7067 8.7067 8.7190 8.7190 9.0024 9.0024 9.0121 9.0121 9.1812 9.1812 9.1840 9.1840 9.6511 9.6511 9.6719 9.6719 9.7680 9.7680 9.7836 9.7836 10.0527 10.0527 10.0685 10.0685 10.5743 10.5743 10.6664 10.6664 11.2275 11.2275 11.2339 11.2339 11.6644 11.6644 11.6764 11.6764 k = 0.5000-0.0502 0.5769 ( 3598 PWs) bands (ev): 6.6195 6.6195 6.6365 6.6365 7.6510 7.6510 7.6692 7.6692 8.5126 8.5126 8.5214 8.5214 8.7023 8.7023 8.7156 8.7156 9.0127 9.0127 9.0223 9.0223 9.1717 9.1717 9.1749 9.1749 9.6725 9.6725 9.6915 9.6915 9.7672 9.7672 9.7863 9.7863 10.0538 10.0538 10.0699 10.0699 10.5626 10.5626 10.6570 10.6570 11.2382 11.2382 11.2436 11.2436 11.6761 11.6761 11.6881 11.6881 k = 0.5000-0.0377 0.5857 ( 3594 PWs) bands (ev): 6.6259 6.6259 6.6434 6.6434 7.6412 7.6412 7.6598 7.6598 8.5042 8.5042 8.5137 8.5137 8.6991 8.6991 8.7132 8.7132 9.0216 9.0216 9.0311 9.0311 9.1634 9.1634 9.1667 9.1667 9.6921 9.6921 9.7086 9.7086 9.7642 9.7642 9.7875 9.7875 10.0541 10.0541 10.0703 10.0703 10.5535 10.5535 10.6496 10.6496 11.2469 11.2469 11.2514 11.2514 11.6855 11.6855 11.6976 11.6976 k = 0.5000-0.0251 0.5946 ( 3594 PWs) bands (ev): 6.6305 6.6305 6.6484 6.6484 7.6340 7.6340 7.6529 7.6529 8.4980 8.4980 8.5081 8.5081 8.6969 8.6969 8.7115 8.7115 9.0286 9.0286 9.0381 9.0381 9.1567 9.1567 9.1602 9.1602 9.7097 9.7097 9.7223 9.7223 9.7590 9.7590 9.7873 9.7873 10.0540 10.0540 10.0700 10.0700 10.5470 10.5470 10.6443 10.6443 11.2533 11.2533 11.2572 11.2572 11.6924 11.6924 11.7045 11.7045 k = 0.5000-0.0126 0.6035 ( 3588 PWs) bands (ev): 6.6334 6.6334 6.6515 6.6515 7.6296 7.6296 7.6487 7.6487 8.4943 8.4943 8.5046 8.5046 8.6957 8.6957 8.7106 8.7106 9.0333 9.0333 9.0428 9.0428 9.1523 9.1523 9.1559 9.1559 9.7245 9.7245 9.7315 9.7315 9.7519 9.7519 9.7865 9.7865 10.0537 10.0537 10.0697 10.0697 10.5431 10.5431 10.6412 10.6412 11.2572 11.2572 11.2607 11.2607 11.6967 11.6967 11.7087 11.7087 k = 0.5000-0.0000 0.6124 ( 3552 PWs) bands (ev): 6.6344 6.6344 6.6526 6.6526 7.6282 7.6282 7.6473 7.6473 8.4931 8.4931 8.5035 8.5035 8.6954 8.6954 8.7104 8.7104 9.0350 9.0350 9.0445 9.0445 9.1508 9.1508 9.1544 9.1544 9.7328 9.7328 9.7349 9.7349 9.7464 9.7464 9.7862 9.7862 10.0537 10.0537 10.0696 10.0696 10.5420 10.5420 10.6402 10.6402 11.2587 11.2587 11.2620 11.2620 11.6982 11.6982 11.7102 11.7102 k = 0.5000-0.0000 0.6124 ( 3552 PWs) bands (ev): 6.6344 6.6344 6.6526 6.6526 7.6282 7.6282 7.6473 7.6473 8.4931 8.4931 8.5035 8.5035 8.6954 8.6954 8.7104 8.7104 9.0350 9.0350 9.0445 9.0445 9.1508 9.1508 9.1544 9.1544 9.7328 9.7328 9.7349 9.7349 9.7464 9.7464 9.7862 9.7862 10.0537 10.0537 10.0696 10.0696 10.5420 10.5420 10.6402 10.6402 11.2587 11.2587 11.2620 11.2620 11.6982 11.6982 11.7102 11.7102 k = 0.4922 0.0135 0.6124 ( 3591 PWs) bands (ev): 6.6164 6.6164 6.6689 6.6689 7.6168 7.6168 7.6595 7.6595 8.4766 8.4766 8.5202 8.5202 8.6901 8.6901 8.7169 8.7169 9.0337 9.0337 9.0440 9.0440 9.1432 9.1432 9.1647 9.1647 9.7166 9.7166 9.7306 9.7306 9.7580 9.7580 9.7919 9.7919 10.0405 10.0405 10.0834 10.0834 10.5426 10.5426 10.6408 10.6408 11.2493 11.2493 11.2704 11.2704 11.6948 11.6948 11.7123 11.7123 k = 0.4844 0.0271 0.6124 ( 3595 PWs) bands (ev): 6.5923 6.5923 6.6883 6.6883 7.6002 7.6002 7.6782 7.6782 8.4571 8.4571 8.5396 8.5396 8.6849 8.6849 8.7276 8.7276 9.0309 9.0309 9.0419 9.0419 9.1392 9.1392 9.1774 9.1774 9.6958 9.6958 9.7151 9.7151 9.7735 9.7735 9.8037 9.8037 10.0259 10.0259 10.1011 10.1011 10.5448 10.5448 10.6426 10.6426 11.2381 11.2381 11.2789 11.2789 11.6883 11.6883 11.7155 11.7155 k = 0.4766 0.0406 0.6124 ( 3595 PWs) bands (ev): 6.5686 6.5686 6.7051 6.7051 7.5840 7.5840 7.6974 7.6974 8.4387 8.4387 8.5550 8.5550 8.6852 8.6852 8.7387 8.7387 9.0274 9.0274 9.0374 9.0374 9.1401 9.1401 9.1907 9.1907 9.6740 9.6740 9.6958 9.6958 9.7846 9.7846 9.8179 9.8179 10.0154 10.0154 10.1177 10.1177 10.5482 10.5482 10.6456 10.6456 11.2265 11.2265 11.2863 11.2863 11.6809 11.6809 11.7179 11.7179 k = 0.4688 0.0541 0.6124 ( 3596 PWs) bands (ev): 6.5458 6.5458 6.7193 6.7193 7.5688 7.5688 7.7160 7.7160 8.4216 8.4216 8.5643 8.5643 8.6936 8.6936 8.7498 8.7498 9.0235 9.0235 9.0311 9.0311 9.1451 9.1451 9.2045 9.2045 9.6516 9.6516 9.6745 9.6745 9.7893 9.7893 9.8341 9.8341 10.0095 10.0095 10.1332 10.1332 10.5525 10.5525 10.6493 10.6493 11.2146 11.2146 11.2924 11.2924 11.6733 11.6733 11.7192 11.7192 k = 0.4609 0.0677 0.6124 ( 3600 PWs) bands (ev): 6.5242 6.5242 6.7312 6.7312 7.5546 7.5546 7.7335 7.7335 8.4058 8.4058 8.5669 8.5669 8.7101 8.7101 8.7607 8.7607 9.0191 9.0191 9.0244 9.0244 9.1530 9.1530 9.2189 9.2189 9.6285 9.6285 9.6519 9.6519 9.7883 9.7883 9.8514 9.8514 10.0077 10.0077 10.1478 10.1478 10.5577 10.5577 10.6534 10.6534 11.2025 11.2025 11.2972 11.2972 11.6656 11.6656 11.7195 11.7195 k = 0.4531 0.0812 0.6124 ( 3596 PWs) bands (ev): 6.5039 6.5039 6.7411 6.7411 7.5416 7.5416 7.7496 7.7496 8.3913 8.3913 8.5648 8.5648 8.7321 8.7321 8.7715 8.7715 9.0134 9.0134 9.0189 9.0189 9.1628 9.1628 9.2337 9.2337 9.6046 9.6046 9.6289 9.6289 9.7832 9.7832 9.8689 9.8689 10.0088 10.0088 10.1617 10.1617 10.5637 10.5637 10.6578 10.6578 11.1904 11.1904 11.3010 11.3010 11.6581 11.6581 11.7189 11.7189 k = 0.4453 0.0947 0.6124 ( 3593 PWs) bands (ev): 6.4852 6.4852 6.7494 6.7494 7.5297 7.5297 7.7640 7.7640 8.3782 8.3782 8.5602 8.5602 8.7565 8.7565 8.7828 8.7828 9.0068 9.0068 9.0150 9.0150 9.1739 9.1739 9.2490 9.2490 9.5796 9.5796 9.6060 9.6060 9.7755 9.7755 9.8858 9.8858 10.0116 10.0116 10.1751 10.1751 10.5703 10.5703 10.6619 10.6619 11.1784 11.1784 11.3039 11.3039 11.6510 11.6510 11.7175 11.7175 k = 0.4375 0.1083 0.6124 ( 3587 PWs) bands (ev): 6.4681 6.4681 6.7563 6.7563 7.5191 7.5191 7.7767 7.7767 8.3665 8.3665 8.5546 8.5546 8.7781 8.7781 8.7976 8.7976 9.0003 9.0003 9.0119 9.0119 9.1859 9.1859 9.2646 9.2646 9.5536 9.5536 9.5836 9.5836 9.7664 9.7664 9.9016 9.9016 10.0151 10.0151 10.1879 10.1879 10.5773 10.5773 10.6656 10.6656 11.1666 11.1666 11.3061 11.3061 11.6444 11.6444 11.7155 11.7155 k = 0.4297 0.1218 0.6124 ( 3579 PWs) bands (ev): 6.4527 6.4527 6.7620 6.7620 7.5097 7.5097 7.7875 7.7875 8.3562 8.3562 8.5488 8.5488 8.7915 8.7915 8.8200 8.8200 8.9944 8.9944 9.0094 9.0094 9.1988 9.1988 9.2804 9.2804 9.5268 9.5268 9.5621 9.5621 9.7569 9.7569 9.9160 9.9160 10.0186 10.0186 10.2003 10.2003 10.5847 10.5847 10.6687 10.6687 11.1553 11.1553 11.3076 11.3076 11.6383 11.6383 11.7131 11.7131 k = 0.4219 0.1353 0.6124 ( 3577 PWs) bands (ev): 6.4392 6.4392 6.7666 6.7666 7.5015 7.5015 7.7967 7.7967 8.3472 8.3472 8.5432 8.5432 8.8003 8.8003 8.8452 8.8452 8.9892 8.9892 9.0073 9.0073 9.2122 9.2122 9.2962 9.2962 9.4997 9.4997 9.5414 9.5414 9.7477 9.7477 9.9287 9.9287 10.0216 10.0216 10.2121 10.2121 10.5922 10.5922 10.6710 10.6710 11.1447 11.1447 11.3086 11.3086 11.6330 11.6330 11.7106 11.7106 k = 0.4141 0.1488 0.6124 ( 3571 PWs) bands (ev): 6.4276 6.4276 6.7704 6.7704 7.4946 7.4946 7.8041 7.8041 8.3396 8.3396 8.5382 8.5382 8.8071 8.8071 8.8694 8.8694 8.9849 8.9849 9.0058 9.0058 9.2264 9.2264 9.3118 9.3118 9.4728 9.4728 9.5217 9.5217 9.7393 9.7393 9.9396 9.9396 10.0239 10.0239 10.2229 10.2229 10.5994 10.5994 10.6725 10.6725 11.1351 11.1351 11.3094 11.3094 11.6284 11.6284 11.7080 11.7080 k = 0.4062 0.1624 0.6124 ( 3571 PWs) bands (ev): 6.4181 6.4181 6.7734 6.7734 7.4889 7.4889 7.8101 7.8101 8.3333 8.3333 8.5340 8.5340 8.8125 8.8125 8.8912 8.8912 8.9813 8.9813 9.0046 9.0046 9.2413 9.2413 9.3266 9.3266 9.4468 9.4468 9.5031 9.5031 9.7320 9.7320 9.9485 9.9485 10.0256 10.0256 10.2326 10.2326 10.6059 10.6059 10.6734 10.6734 11.1267 11.1267 11.3099 11.3099 11.6246 11.6246 11.7056 11.7056 k = 0.3984 0.1759 0.6124 ( 3569 PWs) bands (ev): 6.4106 6.4106 6.7756 6.7756 7.4845 7.4845 7.8145 7.8145 8.3284 8.3284 8.5306 8.5306 8.8167 8.8167 8.9094 8.9094 8.9785 8.9785 9.0038 9.0038 9.2569 9.2569 9.3396 9.3396 9.4229 9.4229 9.4859 9.4859 9.7261 9.7261 9.9555 9.9555 10.0268 10.0268 10.2406 10.2406 10.6116 10.6116 10.6737 10.6737 11.1198 11.1198 11.3103 11.3103 11.6216 11.6216 11.7035 11.7035 k = 0.3906 0.1894 0.6124 ( 3567 PWs) bands (ev): 6.4052 6.4052 6.7772 6.7772 7.4813 7.4813 7.8176 7.8176 8.3249 8.3249 8.5281 8.5281 8.8197 8.8197 8.9232 8.9232 8.9763 8.9763 9.0033 9.0033 9.2725 9.2725 9.3484 9.3484 9.4039 9.4039 9.4711 9.4711 9.7217 9.7217 9.9605 9.9605 10.0275 10.0275 10.2467 10.2467 10.6159 10.6159 10.6737 10.6737 11.1146 11.1146 11.3106 11.3106 11.6194 11.6194 11.7019 11.7019 k = 0.3828 0.2030 0.6124 ( 3574 PWs) bands (ev): 6.4020 6.4020 6.7781 6.7781 7.4794 7.4794 7.8194 7.8194 8.3228 8.3228 8.5266 8.5266 8.8215 8.8215 8.9318 8.9318 8.9750 8.9750 9.0030 9.0030 9.2863 9.2863 9.3492 9.3492 9.3943 9.3943 9.4602 9.4602 9.7191 9.7191 9.9635 9.9635 10.0278 10.0278 10.2505 10.2505 10.6186 10.6186 10.6736 10.6736 11.1114 11.1114 11.3107 11.3107 11.6181 11.6181 11.7008 11.7008 k = 0.3750 0.2165 0.6124 ( 3580 PWs) bands (ev): 6.4009 6.4009 6.7784 6.7784 7.4788 7.4788 7.8200 7.8200 8.3221 8.3221 8.5261 8.5261 8.8221 8.8221 8.9348 8.9348 8.9745 8.9745 9.0029 9.0029 9.2926 9.2926 9.3467 9.3467 9.3927 9.3927 9.4560 9.4560 9.7182 9.7182 9.9645 9.9645 10.0279 10.0279 10.2517 10.2517 10.6196 10.6196 10.6735 10.6735 11.1103 11.1103 11.3107 11.3107 11.6177 11.6177 11.7005 11.7005 k = 0.3750 0.2165 0.6124 ( 3580 PWs) bands (ev): 6.4009 6.4009 6.7784 6.7784 7.4788 7.4788 7.8200 7.8200 8.3221 8.3221 8.5261 8.5261 8.8221 8.8221 8.9348 8.9348 8.9745 8.9745 9.0029 9.0029 9.2926 9.2926 9.3467 9.3467 9.3927 9.3927 9.4560 9.4560 9.7182 9.7182 9.9645 9.9645 10.0279 10.0279 10.2517 10.2517 10.6196 10.6196 10.6735 10.6735 11.1103 11.1103 11.3107 11.3107 11.6177 11.6177 11.7005 11.7005 k = 0.3672 0.2120 0.5996 ( 3572 PWs) bands (ev): 6.3755 6.3755 6.8145 6.8145 7.4398 7.4398 7.8173 7.8173 8.2725 8.2725 8.5212 8.5212 8.8431 8.8431 8.9528 8.9528 8.9658 8.9658 9.0094 9.0094 9.2908 9.2908 9.3446 9.3446 9.3887 9.3887 9.4798 9.4798 9.7180 9.7180 9.9825 9.9825 10.0494 10.0494 10.2856 10.2856 10.6039 10.6039 10.6586 10.6586 11.1204 11.1204 11.3304 11.3304 11.6247 11.6247 11.7324 11.7324 k = 0.3594 0.2075 0.5869 ( 3580 PWs) bands (ev): 6.3441 6.3441 6.8519 6.8519 7.4044 7.4044 7.8160 7.8160 8.2241 8.2241 8.5165 8.5165 8.8648 8.8648 8.9566 8.9566 8.9723 8.9723 9.0159 9.0159 9.2894 9.2894 9.3410 9.3410 9.3831 9.3831 9.5055 9.5055 9.7147 9.7147 9.9990 9.9990 10.0730 10.0730 10.3198 10.3198 10.5904 10.5904 10.6455 10.6455 11.1301 11.1301 11.3497 11.3497 11.6292 11.6292 11.7637 11.7637 k = 0.3516 0.2030 0.5741 ( 3590 PWs) bands (ev): 6.3064 6.3064 6.8904 6.8904 7.3736 7.3736 7.8163 7.8163 8.1771 8.1771 8.5119 8.5119 8.8867 8.8867 8.9483 8.9483 8.9927 8.9927 9.0229 9.0229 9.2883 9.2883 9.3360 9.3360 9.3761 9.3761 9.5325 9.5325 9.7081 9.7081 10.0142 10.0142 10.0985 10.0985 10.3542 10.3542 10.5794 10.5794 10.6344 10.6344 11.1391 11.1391 11.3688 11.3688 11.6307 11.6307 11.7940 11.7940 k = 0.3438 0.1985 0.5613 ( 3578 PWs) bands (ev): 6.2620 6.2620 6.9297 6.9297 7.3477 7.3477 7.8182 7.8182 8.1316 8.1316 8.5072 8.5072 8.9066 8.9066 8.9426 8.9426 9.0142 9.0142 9.0314 9.0314 9.2878 9.2878 9.3298 9.3298 9.3677 9.3677 9.5604 9.5604 9.6981 9.6981 10.0282 10.0282 10.1260 10.1260 10.3884 10.3884 10.5712 10.5712 10.6254 10.6254 11.1474 11.1474 11.3875 11.3875 11.6287 11.6287 11.8228 11.8228 k = 0.3359 0.1940 0.5486 ( 3578 PWs) bands (ev): 6.2111 6.2111 6.9697 6.9697 7.3272 7.3272 7.8217 7.8217 8.0877 8.0877 8.5018 8.5018 8.9161 8.9161 8.9475 8.9475 9.0358 9.0358 9.0433 9.0433 9.2876 9.2876 9.3223 9.3223 9.3580 9.3580 9.5888 9.5888 9.6846 9.6846 10.0410 10.0410 10.1552 10.1552 10.4214 10.4214 10.5662 10.5662 10.6186 10.6186 11.1548 11.1548 11.4056 11.4056 11.6229 11.6229 11.8497 11.8497 k = 0.3281 0.1894 0.5358 ( 3579 PWs) bands (ev): 6.1539 6.1539 7.0103 7.0103 7.3118 7.3118 7.8269 7.8269 8.0455 8.0455 8.4955 8.4955 8.9129 8.9129 8.9646 8.9646 9.0536 9.0536 9.0636 9.0636 9.2879 9.2879 9.3136 9.3136 9.3472 9.3472 9.6171 9.6171 9.6681 9.6681 10.0529 10.0529 10.1860 10.1860 10.4519 10.4519 10.5654 10.5654 10.6143 10.6143 11.1613 11.1613 11.4231 11.4231 11.6128 11.6128 11.8741 11.8741 k = 0.3203 0.1849 0.5231 ( 3583 PWs) bands (ev): 6.0909 6.0909 7.0510 7.0510 7.3014 7.3014 7.8336 7.8336 8.0050 8.0050 8.4880 8.4880 8.9069 8.9069 8.9835 8.9835 9.0725 9.0725 9.0885 9.0885 9.2877 9.2877 9.3046 9.3046 9.3354 9.3354 9.6387 9.6387 9.6552 9.6552 10.0636 10.0636 10.2181 10.2181 10.4777 10.4777 10.5705 10.5705 10.6127 10.6127 11.1667 11.1667 11.4397 11.4397 11.5981 11.5981 11.8957 11.8957 k = 0.3125 0.1804 0.5103 ( 3583 PWs) bands (ev): 6.0227 6.0227 7.0918 7.0918 7.2955 7.2955 7.8420 7.8420 7.9665 7.9665 8.4791 8.4791 8.9010 8.9010 9.0010 9.0010 9.0961 9.0961 9.1152 9.1152 9.2832 9.2832 9.2991 9.2991 9.3232 9.3232 9.6221 9.6221 9.6776 9.6776 10.0733 10.0733 10.2515 10.2515 10.4962 10.4962 10.5826 10.5826 10.6149 10.6149 11.1710 11.1710 11.4554 11.4554 11.5790 11.5790 11.9143 11.9143 k = 0.3047 0.1759 0.4976 ( 3583 PWs) bands (ev): 5.9502 5.9502 7.1323 7.1323 7.2935 7.2935 7.8518 7.8518 7.9301 7.9301 8.4685 8.4685 8.8959 8.8959 9.0170 9.0170 9.1240 9.1240 9.1434 9.1434 9.2716 9.2716 9.2995 9.2995 9.3112 9.3112 9.5973 9.5973 9.7056 9.7056 10.0818 10.0818 10.2859 10.2859 10.5074 10.5074 10.5974 10.5974 10.6246 10.6246 11.1739 11.1739 11.4697 11.4697 11.5559 11.5559 11.9296 11.9296 k = 0.2969 0.1714 0.4848 ( 3571 PWs) bands (ev): 5.8740 5.8740 7.1725 7.1725 7.2948 7.2948 7.8625 7.8625 7.8964 7.8964 8.4561 8.4561 8.8918 8.8918 9.0323 9.0323 9.1549 9.1549 9.1735 9.1735 9.2566 9.2566 9.2972 9.2972 9.3049 9.3049 9.5705 9.5705 9.7338 9.7338 10.0891 10.0891 10.3212 10.3212 10.5144 10.5144 10.6076 10.6076 10.6461 10.6461 11.1757 11.1757 11.4822 11.4822 11.5296 11.5296 11.9416 11.9417 k = 0.2891 0.1669 0.4720 ( 3575 PWs) bands (ev): 5.7949 5.7949 7.2119 7.2119 7.2988 7.2988 7.8584 7.8584 7.8810 7.8810 8.4418 8.4418 8.8887 8.8887 9.0476 9.0476 9.1863 9.1863 9.2055 9.2055 9.2404 9.2404 9.2872 9.2872 9.3088 9.3088 9.5425 9.5425 9.7617 9.7617 10.0949 10.0949 10.3571 10.3571 10.5198 10.5198 10.6151 10.6151 10.6739 10.6739 11.1760 11.1760 11.4875 11.4875 11.5058 11.5058 11.9504 11.9504 k = 0.2812 0.1624 0.4593 ( 3577 PWs) bands (ev): 5.7135 5.7135 7.2505 7.2505 7.3049 7.3049 7.8299 7.8299 7.8936 7.8936 8.4258 8.4258 8.8864 8.8864 9.0635 9.0635 9.2114 9.2114 9.2190 9.2190 9.2475 9.2475 9.2803 9.2803 9.3140 9.3140 9.5145 9.5145 9.7894 9.7894 10.0992 10.0992 10.3936 10.3936 10.5252 10.5252 10.6225 10.6225 10.7034 10.7034 11.1749 11.1749 11.4632 11.4632 11.5076 11.5076 11.9559 11.9559 k = 0.2734 0.1579 0.4465 ( 3575 PWs) bands (ev): 5.6304 5.6304 7.2878 7.2878 7.3128 7.3128 7.8016 7.8016 7.9096 7.9096 8.4080 8.4080 8.8849 8.8849 9.0803 9.0803 9.1962 9.1962 9.2315 9.2315 9.2794 9.2794 9.2922 9.2922 9.3192 9.3192 9.4883 9.4883 9.8166 9.8166 10.1019 10.1019 10.4304 10.4304 10.5312 10.5312 10.6306 10.6306 10.7329 10.7329 11.1725 11.1725 11.4304 11.4304 11.5147 11.5147 11.9585 11.9585 k = 0.2656 0.1534 0.4338 ( 3571 PWs) bands (ev): 5.5462 5.5462 7.3196 7.3196 7.3260 7.3260 7.7751 7.7751 7.9272 7.9272 8.3886 8.3886 8.8836 8.8836 9.0981 9.0981 9.1748 9.1748 9.2300 9.2300 9.3015 9.3015 9.3240 9.3240 9.3347 9.3347 9.4664 9.4664 9.8436 9.8436 10.1029 10.1029 10.4674 10.4674 10.5383 10.5383 10.6394 10.6394 10.7614 10.7614 11.1687 11.1687 11.3961 11.3961 11.5202 11.5202 11.9584 11.9584 k = 0.2578 0.1488 0.4210 ( 3583 PWs) bands (ev): 5.4612 5.4612 7.3305 7.3305 7.3594 7.3594 7.7507 7.7507 7.9462 7.9462 8.3677 8.3677 8.8824 8.8824 9.1170 9.1170 9.1524 9.1524 9.2208 9.2208 9.3122 9.3122 9.3417 9.3417 9.3811 9.3811 9.4529 9.4529 9.8702 9.8702 10.1021 10.1021 10.5042 10.5042 10.5466 10.5466 10.6487 10.6487 10.7885 10.7885 11.1635 11.1636 11.3615 11.3615 11.5234 11.5234 11.9559 11.9559 k = 0.2500 0.1443 0.4082 ( 3583 PWs) bands (ev): 5.3761 5.3761 7.3403 7.3403 7.3925 7.3925 7.7283 7.7283 7.9666 7.9666 8.3455 8.3455 8.8808 8.8808 9.1267 9.1267 9.1398 9.1398 9.2094 9.2094 9.3037 9.3037 9.3734 9.3734 9.4250 9.4250 9.4558 9.4558 9.8967 9.8967 10.0996 10.0996 10.5402 10.5402 10.5567 10.5567 10.6584 10.6584 10.8139 10.8139 11.1571 11.1571 11.3273 11.3273 11.5240 11.5240 11.9512 11.9512 k = 0.2422 0.1398 0.3955 ( 3587 PWs) bands (ev): 5.2910 5.2910 7.3499 7.3499 7.4239 7.4239 7.7080 7.7080 7.9883 7.9883 8.3223 8.3223 8.8787 8.8787 9.1042 9.1042 9.1600 9.1600 9.1972 9.1972 9.2864 9.2864 9.4079 9.4079 9.4471 9.4471 9.4940 9.4940 9.9232 9.9232 10.0955 10.0955 10.5644 10.5644 10.5792 10.5792 10.6685 10.6685 10.8374 10.8374 11.1494 11.1494 11.2938 11.2938 11.5218 11.5218 11.9445 11.9445 k = 0.2344 0.1353 0.3827 ( 3587 PWs) bands (ev): 5.2065 5.2065 7.3590 7.3590 7.4536 7.4536 7.6897 7.6897 8.0112 8.0112 8.2980 8.2980 8.8757 8.8757 9.0804 9.0804 9.1823 9.1823 9.1852 9.1852 9.2645 9.2645 9.4427 9.4427 9.4656 9.4656 9.5477 9.5477 9.9497 9.9497 10.0899 10.0899 10.5765 10.5765 10.6139 10.6139 10.6790 10.6790 10.8588 10.8588 11.1405 11.1405 11.2616 11.2616 11.5165 11.5165 11.9358 11.9358 k = 0.2266 0.1308 0.3700 ( 3589 PWs) bands (ev): 5.1227 5.1227 7.3674 7.3674 7.4813 7.4813 7.6736 7.6736 8.0353 8.0353 8.2729 8.2729 8.8717 8.8717 9.0563 9.0563 9.1721 9.1721 9.2067 9.2067 9.2407 9.2407 9.4742 9.4742 9.4927 9.4927 9.6048 9.6048 9.9766 9.9766 10.0828 10.0828 10.5887 10.5887 10.6480 10.6480 10.6902 10.6902 10.8779 10.8779 11.1304 11.1304 11.2310 11.2310 11.5081 11.5081 11.9249 11.9249 k = 0.2188 0.1263 0.3572 ( 3587 PWs) bands (ev): 5.0400 5.0400 7.3748 7.3748 7.5071 7.5071 7.6595 7.6595 8.0604 8.0604 8.2471 8.2471 8.8666 8.8666 9.0322 9.0322 9.1595 9.1595 9.2167 9.2167 9.2317 9.2317 9.5025 9.5025 9.5283 9.5283 9.6638 9.6638 10.0040 10.0040 10.0745 10.0745 10.6013 10.6013 10.6787 10.6787 10.7041 10.7041 10.8949 10.8949 11.1191 11.1191 11.2024 11.2024 11.4963 11.4963 11.9115 11.9115 k = 0.2109 0.1218 0.3445 ( 3579 PWs) bands (ev): 4.9585 4.9585 7.3810 7.3810 7.5310 7.5310 7.6474 7.6474 8.0865 8.0865 8.2207 8.2207 8.8604 8.8604 9.0085 9.0085 9.1469 9.1469 9.1938 9.1938 9.2574 9.2574 9.5318 9.5318 9.5673 9.5673 9.7237 9.7237 10.0318 10.0318 10.0660 10.0660 10.6141 10.6141 10.6997 10.6997 10.7266 10.7266 10.9098 10.9098 11.1065 11.1065 11.1763 11.1763 11.4812 11.4812 11.8950 11.8950 k = 0.2031 0.1173 0.3317 ( 3581 PWs) bands (ev): 4.8786 4.8786 7.3860 7.3860 7.5529 7.5529 7.6372 7.6372 8.1135 8.1135 8.1938 8.1938 8.8531 8.8531 8.9849 8.9849 9.1345 9.1345 9.1722 9.1722 9.2838 9.2838 9.5636 9.5636 9.6078 9.6078 9.7834 9.7834 10.0477 10.0477 10.0703 10.0703 10.6270 10.6270 10.7125 10.7125 10.7559 10.7559 10.9226 10.9226 11.0927 11.0927 11.1529 11.1529 11.4627 11.4627 11.8746 11.8746 k = 0.1953 0.1128 0.3189 ( 3583 PWs) bands (ev): 4.8003 4.8003 7.3895 7.3895 7.5728 7.5728 7.6291 7.6291 8.1413 8.1413 8.1665 8.1665 8.8449 8.8449 8.9620 8.9620 9.1222 9.1222 9.1522 9.1522 9.3108 9.3108 9.5980 9.5980 9.6495 9.6495 9.8416 9.8416 10.0388 10.0388 10.1016 10.1016 10.6398 10.6398 10.7229 10.7229 10.7861 10.7861 10.9335 10.9335 11.0779 11.0779 11.1325 11.1325 11.4410 11.4410 11.8497 11.8497 k = 0.1875 0.1083 0.3062 ( 3581 PWs) bands (ev): 4.7240 4.7240 7.3915 7.3915 7.5907 7.5907 7.6230 7.6230 8.1387 8.1387 8.1699 8.1699 8.8360 8.8360 8.9396 8.9396 9.1100 9.1100 9.1338 9.1338 9.3381 9.3381 9.6349 9.6349 9.6920 9.6920 9.8967 9.8967 10.0263 10.0263 10.1399 10.1399 10.6523 10.6523 10.7325 10.7325 10.8153 10.8153 10.9425 10.9425 11.0630 11.0630 11.1148 11.1148 11.4163 11.4163 11.8196 11.8196 k = 0.1797 0.1037 0.2934 ( 3591 PWs) bands (ev): 4.6497 4.6497 7.3920 7.3920 7.6057 7.6057 7.6196 7.6196 8.1109 8.1109 8.1991 8.1991 8.8267 8.8267 8.9180 8.9180 9.0981 9.0981 9.1169 9.1169 9.3656 9.3656 9.6742 9.6742 9.7352 9.7352 9.9468 9.9468 10.0127 10.0127 10.1841 10.1841 10.6642 10.6642 10.7412 10.7412 10.8431 10.8431 10.9494 10.9494 11.0493 11.0493 11.0992 11.0992 11.3889 11.3889 11.7842 11.7842 k = 0.1719 0.0992 0.2807 ( 3591 PWs) bands (ev): 4.5777 4.5777 7.3910 7.3910 7.6119 7.6119 7.6252 7.6252 8.0831 8.0831 8.2289 8.2289 8.8172 8.8172 8.8973 8.8973 9.0865 9.0865 9.1015 9.1015 9.3930 9.3930 9.7155 9.7155 9.7791 9.7791 9.9873 9.9873 10.0024 10.0024 10.2344 10.2344 10.6755 10.6755 10.7496 10.7496 10.8691 10.8691 10.9539 10.9539 11.0385 11.0385 11.0855 11.0855 11.3591 11.3591 11.7442 11.7442 k = 0.1641 0.0947 0.2679 ( 3595 PWs) bands (ev): 4.5080 4.5080 7.3885 7.3885 7.6117 7.6117 7.6370 7.6370 8.0553 8.0553 8.2591 8.2591 8.8077 8.8077 8.8774 8.8774 9.0752 9.0752 9.0874 9.0874 9.4200 9.4200 9.7587 9.7587 9.8236 9.8236 9.9804 9.9804 10.0332 10.0332 10.2898 10.2898 10.6860 10.6860 10.7573 10.7573 10.8930 10.8930 10.9549 10.9549 11.0327 11.0327 11.0734 11.0734 11.3275 11.3275 11.7003 11.7003 k = 0.1562 0.0902 0.2552 ( 3593 PWs) bands (ev): 4.4407 4.4407 7.3848 7.3848 7.6121 7.6121 7.6483 7.6483 8.0277 8.0277 8.2896 8.2896 8.7986 8.7986 8.8586 8.8586 9.0642 9.0642 9.0743 9.0743 9.4466 9.4466 9.8035 9.8035 9.8686 9.8686 9.9646 9.9646 10.0679 10.0679 10.3485 10.3485 10.6956 10.6956 10.7644 10.7644 10.9144 10.9144 10.9523 10.9523 11.0336 11.0336 11.0629 11.0629 11.2945 11.2945 11.6538 11.6538 k = 0.1484 0.0857 0.2424 ( 3601 PWs) bands (ev): 4.3761 4.3761 7.3797 7.3797 7.6136 7.6136 7.6583 7.6583 8.0005 8.0005 8.3203 8.3203 8.7899 8.7899 8.8409 8.8409 9.0536 9.0536 9.0622 9.0622 9.4723 9.4723 9.8495 9.8495 9.9132 9.9132 9.9488 9.9488 10.0997 10.0997 10.4079 10.4079 10.7041 10.7041 10.7708 10.7708 10.9318 10.9318 10.9480 10.9480 11.0396 11.0396 11.0560 11.0560 11.2607 11.2607 11.6057 11.6058 k = 0.1406 0.0812 0.2296 ( 3607 PWs) bands (ev): 4.3142 4.3142 7.3736 7.3736 7.6163 7.6163 7.6672 7.6672 7.9739 7.9739 8.3511 8.3511 8.7817 8.7817 8.8244 8.8244 9.0433 9.0433 9.0508 9.0508 9.4970 9.4970 9.8952 9.8952 9.9294 9.9294 9.9626 9.9626 10.1297 10.1297 10.4656 10.4656 10.7114 10.7114 10.7763 10.7763 10.9355 10.9355 10.9528 10.9528 11.0401 11.0401 11.0634 11.0634 11.2270 11.2270 11.5574 11.5574 k = 0.1328 0.0767 0.2169 ( 3601 PWs) bands (ev): 4.2552 4.2552 7.3664 7.3664 7.6201 7.6201 7.6749 7.6749 7.9479 7.9479 8.3818 8.3818 8.7741 8.7741 8.8091 8.8091 9.0335 9.0335 9.0401 9.0401 9.5203 9.5203 9.9072 9.9072 9.9482 9.9482 10.0080 10.0080 10.1586 10.1586 10.5190 10.5190 10.7174 10.7174 10.7810 10.7810 10.9294 10.9294 10.9634 10.9634 11.0359 11.0359 11.0848 11.0848 11.1943 11.1943 11.5100 11.5100 k = 0.1250 0.0722 0.2041 ( 3601 PWs) bands (ev): 4.1990 4.1990 7.3585 7.3585 7.6248 7.6248 7.6815 7.6815 7.9228 7.9228 8.4123 8.4123 8.7672 8.7672 8.7952 8.7952 9.0241 9.0241 9.0301 9.0301 9.5421 9.5421 9.8896 9.8896 9.9955 9.9955 10.0546 10.0546 10.1871 10.1871 10.5660 10.5660 10.7220 10.7220 10.7846 10.7846 10.9228 10.9228 10.9699 10.9699 11.0335 11.0335 11.1114 11.1114 11.1661 11.1661 11.4647 11.4647 k = 0.1172 0.0677 0.1914 ( 3593 PWs) bands (ev): 4.1458 4.1458 7.3500 7.3500 7.6303 7.6303 7.6872 7.6872 7.8986 7.8986 8.4426 8.4426 8.7608 8.7608 8.7826 8.7826 9.0152 9.0152 9.0206 9.0206 9.5620 9.5620 9.8704 9.8704 10.0439 10.0439 10.1016 10.1016 10.2158 10.2158 10.6052 10.6052 10.7250 10.7250 10.7871 10.7871 10.9169 10.9169 10.9715 10.9715 11.0333 11.0333 11.1168 11.1168 11.1677 11.1677 11.4240 11.4240 k = 0.1094 0.0631 0.1786 ( 3591 PWs) bands (ev): 4.0958 4.0958 7.3409 7.3409 7.6365 7.6365 7.6920 7.6920 7.8756 7.8756 8.4722 8.4722 8.7550 8.7550 8.7716 8.7716 9.0067 9.0067 9.0116 9.0116 9.5799 9.5799 9.8506 9.8506 10.0922 10.0922 10.1487 10.1487 10.2451 10.2451 10.6362 10.6362 10.7266 10.7266 10.7884 10.7884 10.9121 10.9121 10.9695 10.9695 11.0340 11.0340 11.0938 11.0938 11.2015 11.2015 11.3933 11.3933 k = 0.1016 0.0586 0.1659 ( 3591 PWs) bands (ev): 4.0488 4.0488 7.3315 7.3315 7.6431 7.6431 7.6960 7.6960 7.8538 7.8538 8.5012 8.5012 8.7497 8.7497 8.7621 8.7621 8.9987 8.9987 9.0032 9.0032 9.5957 9.5957 9.8304 9.8304 10.1399 10.1399 10.1959 10.1959 10.2751 10.2751 10.6594 10.6594 10.7267 10.7267 10.7885 10.7885 10.9079 10.9079 10.9650 10.9650 11.0328 11.0328 11.0707 11.0707 11.2258 11.2258 11.3873 11.3873 k = 0.0938 0.0541 0.1531 ( 3599 PWs) bands (ev): 4.0051 4.0051 7.3221 7.3221 7.6500 7.6500 7.6994 7.6994 7.8333 7.8333 8.5293 8.5293 8.7446 8.7446 8.7542 8.7542 8.9912 8.9912 8.9952 8.9952 9.6092 9.6092 9.8101 9.8101 10.1867 10.1867 10.2430 10.2430 10.3061 10.3061 10.6756 10.6756 10.7256 10.7256 10.7873 10.7873 10.9043 10.9043 10.9594 10.9594 11.0257 11.0257 11.0541 11.0541 11.2208 11.2208 11.4208 11.4208 k = 0.0859 0.0496 0.1403 ( 3595 PWs) bands (ev): 3.9647 3.9647 7.3127 7.3127 7.6571 7.6571 7.7022 7.7022 7.8142 7.8142 8.5564 8.5564 8.7397 8.7397 8.7480 8.7480 8.9844 8.9844 8.9878 8.9878 9.6205 9.6205 9.7899 9.7899 10.2321 10.2321 10.2897 10.2897 10.3382 10.3382 10.6859 10.6859 10.7237 10.7237 10.7850 10.7850 10.9012 10.9012 10.9532 10.9532 11.0117 11.0117 11.0455 11.0455 11.1963 11.1963 11.4822 11.4822 k = 0.0781 0.0451 0.1276 ( 3595 PWs) bands (ev): 3.9276 3.9276 7.3035 7.3035 7.6642 7.6642 7.7045 7.7045 7.7967 7.7967 8.5822 8.5822 8.7350 8.7350 8.7434 8.7434 8.9780 8.9780 8.9810 8.9810 9.6296 9.6296 9.7699 9.7699 10.2761 10.2761 10.3358 10.3358 10.3712 10.3712 10.6907 10.6907 10.7216 10.7216 10.7815 10.7815 10.8985 10.8985 10.9466 10.9466 10.9964 10.9964 11.0390 11.0390 11.1659 11.1659 11.5565 11.5565 k = 0.0703 0.0406 0.1148 ( 3595 PWs) bands (ev): 3.8939 3.8939 7.2946 7.2946 7.6710 7.6710 7.7064 7.7064 7.7807 7.7807 8.6065 8.6065 8.7308 8.7308 8.7400 8.7400 8.9721 8.9721 8.9747 8.9747 9.6366 9.6366 9.7505 9.7505 10.3183 10.3183 10.3808 10.3808 10.4051 10.4051 10.6910 10.6910 10.7193 10.7193 10.7773 10.7773 10.8960 10.8960 10.9398 10.9398 10.9830 10.9830 11.0313 11.0313 11.1348 11.1348 11.6373 11.6373 k = 0.0625 0.0361 0.1021 ( 3599 PWs) bands (ev): 3.8636 3.8636 7.2863 7.2863 7.6773 7.6773 7.7080 7.7080 7.7665 7.7665 8.6291 8.6291 8.7275 8.7275 8.7373 8.7373 8.9669 8.9669 8.9689 8.9689 9.6418 9.6418 9.7318 9.7318 10.3587 10.3587 10.4246 10.4246 10.4395 10.4395 10.6878 10.6878 10.7166 10.7166 10.7723 10.7723 10.8937 10.8937 10.9329 10.9329 10.9718 10.9718 11.0215 11.0215 11.1053 11.1053 11.7219 11.7219 k = 0.0547 0.0316 0.0893 ( 3597 PWs) bands (ev): 3.8368 3.8368 7.2786 7.2786 7.6830 7.6830 7.7094 7.7094 7.7540 7.7540 8.6497 8.6497 8.7249 8.7249 8.7353 8.7353 8.9622 8.9622 8.9639 8.9639 9.6453 9.6453 9.7143 9.7143 10.3972 10.3972 10.4665 10.4665 10.4740 10.4740 10.6825 10.6825 10.7128 10.7128 10.7670 10.7670 10.8915 10.8915 10.9261 10.9261 10.9627 10.9627 11.0092 11.0092 11.0786 11.0786 11.8086 11.8086 k = 0.0469 0.0271 0.0765 ( 3601 PWs) bands (ev): 3.8135 3.8135 7.2717 7.2717 7.6878 7.6878 7.7107 7.7107 7.7432 7.7432 8.6680 8.6680 8.7232 8.7232 8.7337 8.7337 8.9581 8.9581 8.9594 8.9594 9.6475 9.6475 9.6982 9.6982 10.4337 10.4337 10.5056 10.5056 10.5087 10.5087 10.6764 10.6764 10.7071 10.7071 10.7613 10.7613 10.8895 10.8895 10.9192 10.9192 10.9550 10.9550 10.9945 10.9945 11.0555 11.0555 11.8964 11.8964 k = 0.0391 0.0226 0.0638 ( 3605 PWs) bands (ev): 3.7937 3.7937 7.2657 7.2657 7.6915 7.6915 7.7121 7.7121 7.7344 7.7344 8.6836 8.6836 8.7223 8.7223 8.7326 8.7326 8.9547 8.9547 8.9556 8.9556 9.6487 9.6487 9.6839 9.6839 10.4680 10.4680 10.5397 10.5397 10.5444 10.5444 10.6701 10.6701 10.6995 10.6995 10.7552 10.7552 10.8875 10.8875 10.9123 10.9123 10.9482 10.9482 10.9782 10.9782 11.0364 11.0364 11.9842 11.9842 k = 0.0312 0.0180 0.0510 ( 3605 PWs) bands (ev): 3.7775 3.7775 7.2606 7.2606 7.6939 7.6939 7.7135 7.7135 7.7275 7.7275 8.6960 8.6960 8.7225 8.7225 8.7319 8.7319 8.9518 8.9518 8.9524 8.9524 9.6491 9.6491 9.6717 9.6717 10.5001 10.5001 10.5707 10.5707 10.5780 10.5780 10.6644 10.6644 10.6900 10.6900 10.7484 10.7484 10.8858 10.8858 10.9053 10.9053 10.9420 10.9420 10.9618 10.9618 11.0215 11.0215 12.0708 12.0708 k = 0.0234 0.0135 0.0383 ( 3603 PWs) bands (ev): 3.7649 3.7649 7.2566 7.2566 7.6951 7.6951 7.7149 7.7149 7.7226 7.7226 8.7045 8.7045 8.7242 8.7242 8.7314 8.7314 8.9496 8.9496 8.9499 8.9499 9.6491 9.6491 9.6618 9.6618 10.5295 10.5295 10.5986 10.5986 10.6073 10.6073 10.6596 10.6596 10.6786 10.6786 10.7407 10.7407 10.8843 10.8843 10.8979 10.8979 10.9364 10.9364 10.9473 10.9473 11.0103 11.0103 12.1518 12.1518 k = 0.0156 0.0090 0.0255 ( 3605 PWs) bands (ev): 3.7559 3.7559 7.2536 7.2536 7.6954 7.6954 7.7162 7.7162 7.7195 7.7195 8.7090 8.7090 8.7272 8.7272 8.7312 8.7312 8.9480 8.9480 8.9481 8.9481 9.6489 9.6489 9.6546 9.6546 10.5552 10.5552 10.6220 10.6220 10.6303 10.6303 10.6563 10.6563 10.6664 10.6664 10.7323 10.7323 10.8831 10.8831 10.8904 10.8904 10.9318 10.9318 10.9363 10.9363 11.0026 11.0026 12.1549 12.1549 k = 0.0078 0.0045 0.0128 ( 3603 PWs) bands (ev): 3.7505 3.7505 7.2519 7.2519 7.6952 7.6952 7.7170 7.7170 7.7178 7.7178 8.7108 8.7108 8.7300 8.7300 8.7311 8.7311 8.9470 8.9470 8.9471 8.9471 9.6488 9.6488 9.6502 9.6502 10.5753 10.5753 10.6380 10.6380 10.6432 10.6432 10.6550 10.6550 10.6574 10.6574 10.7245 10.7245 10.8823 10.8823 10.8844 10.8844 10.9286 10.9286 10.9297 10.9297 10.9982 10.9982 12.1540 12.1540 k = 0.0000 0.0000 0.0000 ( 3647 PWs) bands (ev): 3.7486 3.7486 7.2512 7.2512 7.6950 7.6950 7.7172 7.7172 7.7172 7.7172 8.7112 8.7112 8.7309 8.7309 8.7309 8.7309 8.9465 8.9465 8.9465 8.9465 9.6487 9.6487 9.6487 9.6487 10.5837 10.5837 10.6430 10.6430 10.6430 10.6430 10.6566 10.6566 10.6566 10.6566 10.7209 10.7209 10.8819 10.8819 10.8819 10.8819 10.9274 10.9274 10.9274 10.9274 10.9965 10.9965 12.1536 12.1536 k = 0.0000 0.0000 0.0000 ( 3647 PWs) bands (ev): 3.7486 3.7486 7.2512 7.2512 7.6950 7.6950 7.7172 7.7172 7.7172 7.7172 8.7112 8.7112 8.7309 8.7309 8.7309 8.7309 8.9465 8.9465 8.9465 8.9465 9.6487 9.6487 9.6487 9.6487 10.5837 10.5837 10.6430 10.6430 10.6430 10.6430 10.6566 10.6566 10.6566 10.6566 10.7209 10.7209 10.8819 10.8819 10.8819 10.8819 10.9274 10.9274 10.9274 10.9274 10.9965 10.9965 12.1536 12.1536 k = 0.0128 0.0074 0.0052 ( 3599 PWs) bands (ev): 3.7505 3.7505 7.2519 7.2519 7.6953 7.6953 7.7173 7.7173 7.7176 7.7176 8.7108 8.7108 8.7300 8.7300 8.7310 8.7310 8.9470 8.9470 8.9471 8.9471 9.6495 9.6495 9.6495 9.6495 10.5752 10.5752 10.6388 10.6388 10.6420 10.6420 10.6563 10.6563 10.6566 10.6566 10.7245 10.7245 10.8824 10.8824 10.8843 10.8843 10.9287 10.9287 10.9298 10.9298 10.9982 10.9982 12.1540 12.1541 k = 0.0256 0.0148 0.0105 ( 3605 PWs) bands (ev): 3.7560 3.7560 7.2536 7.2536 7.6956 7.6956 7.7171 7.7171 7.7184 7.7184 8.7090 8.7090 8.7273 8.7273 8.7310 8.7310 8.9480 8.9480 8.9481 8.9481 9.6518 9.6518 9.6518 9.6518 10.5548 10.5548 10.6251 10.6251 10.6263 10.6263 10.6571 10.6571 10.6665 10.6665 10.7325 10.7325 10.8835 10.8835 10.8899 10.8899 10.9315 10.9315 10.9367 10.9367 11.0027 11.0027 12.1549 12.1549 k = 0.0385 0.0222 0.0157 ( 3599 PWs) bands (ev): 3.7651 3.7651 7.2566 7.2566 7.6960 7.6960 7.7169 7.7169 7.7198 7.7198 8.7046 8.7046 8.7242 8.7242 8.7311 8.7311 8.9498 8.9498 8.9498 8.9498 9.6556 9.6556 9.6557 9.6557 10.5284 10.5284 10.6016 10.6016 10.6033 10.6033 10.6597 10.6597 10.6797 10.6797 10.7414 10.7414 10.8852 10.8852 10.8967 10.8967 10.9351 10.9351 10.9486 10.9486 11.0105 11.0105 12.1529 12.1558 k = 0.0513 0.0296 0.0209 ( 3605 PWs) bands (ev): 3.7778 3.7778 7.2606 7.2606 7.6965 7.6965 7.7165 7.7165 7.7220 7.7220 8.6961 8.6961 8.7224 8.7224 8.7313 8.7313 8.9521 8.9521 8.9522 8.9522 9.6606 9.6606 9.6608 9.6608 10.4981 10.4981 10.5719 10.5719 10.5760 10.5760 10.6637 10.6637 10.6927 10.6927 10.7499 10.7499 10.8872 10.8872 10.9034 10.9034 10.9387 10.9387 10.9648 10.9648 11.0216 11.0216 12.0701 12.0701 k = 0.0641 0.0370 0.0262 ( 3605 PWs) bands (ev): 3.7942 3.7942 7.2656 7.2656 7.6969 7.6969 7.7161 7.7161 7.7250 7.7250 8.6835 8.6835 8.7221 8.7221 8.7316 8.7316 8.9551 8.9551 8.9553 8.9553 9.6668 9.6668 9.6670 9.6670 10.4647 10.4647 10.5384 10.5384 10.5448 10.5448 10.6688 10.6688 10.7049 10.7049 10.7578 10.7578 10.8894 10.8894 10.9099 10.9099 10.9415 10.9415 10.9838 10.9838 11.0358 11.0358 11.9833 11.9833 k = 0.0769 0.0444 0.0314 ( 3605 PWs) bands (ev): 3.8141 3.8141 7.2715 7.2715 7.6973 7.6973 7.7157 7.7157 7.7291 7.7291 8.6674 8.6674 8.7227 8.7227 8.7323 8.7323 8.9587 8.9587 8.9590 8.9590 9.6737 9.6737 9.6740 9.6740 10.4286 10.4286 10.5023 10.5023 10.5111 10.5111 10.6748 10.6748 10.7163 10.7163 10.7649 10.7649 10.8920 10.8920 10.9165 10.9165 10.9436 10.9436 11.0046 11.0046 11.0524 11.0524 11.8955 11.8955 k = 0.0897 0.0518 0.0366 ( 3605 PWs) bands (ev): 3.8377 3.8377 7.2782 7.2782 7.6975 7.6975 7.7152 7.7152 7.7341 7.7341 8.6483 8.6483 8.7242 8.7242 8.7333 8.7333 8.9630 8.9630 8.9634 8.9634 9.6812 9.6812 9.6815 9.6815 10.3900 10.3900 10.4641 10.4641 10.4756 10.4756 10.6817 10.6817 10.7266 10.7266 10.7712 10.7712 10.8947 10.8947 10.9235 10.9235 10.9451 10.9451 11.0265 11.0265 11.0709 11.0709 11.8078 11.8078 k = 0.1026 0.0592 0.0419 ( 3599 PWs) bands (ev): 3.8647 3.8647 7.2854 7.2854 7.6976 7.6976 7.7149 7.7149 7.7401 7.7401 8.6264 8.6264 8.7264 8.7264 8.7349 8.7349 8.9679 8.9679 8.9684 8.9684 9.6888 9.6888 9.6892 9.6892 10.3489 10.3489 10.4246 10.4246 10.4389 10.4389 10.6893 10.6893 10.7357 10.7357 10.7768 10.7768 10.8976 10.8976 10.9309 10.9309 10.9460 10.9460 11.0492 11.0492 11.0909 11.0909 11.7213 11.7213 k = 0.1154 0.0666 0.0471 ( 3599 PWs) bands (ev): 3.8953 3.8953 7.2929 7.2929 7.6976 7.6976 7.7145 7.7145 7.7471 7.7471 8.6020 8.6020 8.7292 8.7292 8.7370 8.7370 8.9735 8.9735 8.9739 8.9739 9.6963 9.6963 9.6966 9.6966 10.3053 10.3053 10.3847 10.3847 10.4015 10.4015 10.6972 10.6972 10.7427 10.7427 10.7820 10.7820 10.9005 10.9005 10.9385 10.9385 10.9464 10.9464 11.0728 11.0728 11.1122 11.1122 11.6370 11.6370 k = 0.1282 0.0740 0.0523 ( 3605 PWs) bands (ev): 3.9293 3.9293 7.3004 7.3004 7.6977 7.6977 7.7143 7.7143 7.7553 7.7553 8.5753 8.5753 8.7329 8.7329 8.7397 8.7397 8.9795 8.9795 8.9801 8.9801 9.7031 9.7031 9.7035 9.7035 10.2594 10.2594 10.3449 10.3449 10.3638 10.3638 10.7055 10.7055 10.7466 10.7466 10.7871 10.7871 10.9033 10.9033 10.9463 10.9463 10.9466 10.9466 11.0974 11.0974 11.1348 11.1348 11.5563 11.5563 k = 0.1410 0.0814 0.0576 ( 3605 PWs) bands (ev): 3.9668 3.9668 7.3078 7.3078 7.6978 7.6978 7.7142 7.7142 7.7645 7.7645 8.5466 8.5466 8.7373 8.7373 8.7432 8.7432 8.9862 8.9862 8.9868 8.9868 9.7089 9.7089 9.7095 9.7095 10.2111 10.2111 10.3059 10.3059 10.3262 10.3262 10.7139 10.7139 10.7455 10.7455 10.7926 10.7926 10.9060 10.9060 10.9466 10.9466 10.9541 10.9541 11.1234 11.1234 11.1588 11.1588 11.4809 11.4809 k = 0.1538 0.0888 0.0628 ( 3605 PWs) bands (ev): 4.0076 4.0076 7.3145 7.3145 7.6981 7.6981 7.7144 7.7144 7.7750 7.7750 8.5160 8.5160 8.7426 8.7426 8.7475 8.7475 8.9933 8.9933 8.9940 8.9940 9.7132 9.7132 9.7141 9.7141 10.1606 10.1606 10.2681 10.2681 10.2890 10.2890 10.7223 10.7223 10.7377 10.7377 10.7987 10.7987 10.9086 10.9086 10.9463 10.9463 10.9616 10.9616 11.1511 11.1511 11.1845 11.1845 11.4129 11.4129 k = 0.1667 0.0962 0.0680 ( 3602 PWs) bands (ev): 4.0517 4.0517 7.3203 7.3203 7.6986 7.6986 7.7147 7.7147 7.7867 7.7867 8.4840 8.4840 8.7488 8.7488 8.7526 8.7526 9.0010 9.0010 9.0017 9.0017 9.7156 9.7156 9.7171 9.7171 10.1084 10.1084 10.2319 10.2319 10.2525 10.2525 10.7215 10.7215 10.7306 10.7306 10.8051 10.8051 10.9109 10.9109 10.9459 10.9459 10.9687 10.9687 11.1809 11.1809 11.2119 11.2119 11.3547 11.3547 k = 0.1795 0.1036 0.0733 ( 3602 PWs) bands (ev): 4.0990 4.0990 7.3247 7.3247 7.6992 7.6992 7.7154 7.7154 7.7998 7.7998 8.4506 8.4506 8.7558 8.7558 8.7587 8.7587 9.0091 9.0091 9.0099 9.0099 9.7156 9.7156 9.7180 9.7180 10.0546 10.0546 10.1975 10.1975 10.2171 10.2171 10.6952 10.6952 10.7386 10.7386 10.8112 10.8112 10.9132 10.9132 10.9454 10.9454 10.9753 10.9753 11.2130 11.2130 11.2414 11.2414 11.3085 11.3085 k = 0.1923 0.1110 0.0785 ( 3590 PWs) bands (ev): 4.1495 4.1495 7.3272 7.3272 7.7002 7.7002 7.7164 7.7164 7.8143 7.8143 8.4161 8.4161 8.7638 8.7638 8.7657 8.7657 9.0177 9.0177 9.0185 9.0185 9.7129 9.7129 9.7166 9.7166 9.9998 9.9998 10.1653 10.1653 10.1829 10.1829 10.6582 10.6582 10.7464 10.7464 10.8170 10.8170 10.9156 10.9156 10.9452 10.9452 10.9814 10.9814 11.2474 11.2474 11.2724 11.2724 11.2760 11.2760 k = 0.2051 0.1184 0.0837 ( 3596 PWs) bands (ev): 4.2032 4.2032 7.3273 7.3273 7.7014 7.7014 7.7177 7.7177 7.8304 7.8304 8.3808 8.3808 8.7727 8.7727 8.7735 8.7735 9.0266 9.0266 9.0275 9.0275 9.7069 9.7069 9.7124 9.7124 9.9444 9.9444 10.1354 10.1354 10.1503 10.1503 10.6108 10.6108 10.7537 10.7537 10.8221 10.8221 10.9179 10.9179 10.9452 10.9452 10.9869 10.9869 11.2556 11.2556 11.2842 11.2842 11.3067 11.3067 k = 0.2179 0.1258 0.0890 ( 3596 PWs) bands (ev): 4.2598 4.2598 7.3246 7.3246 7.7030 7.7030 7.7193 7.7193 7.8481 7.8481 8.3448 8.3448 8.7822 8.7822 8.7825 8.7825 9.0359 9.0359 9.0368 9.0368 9.6974 9.6974 9.7055 9.7055 9.8889 9.8889 10.1080 10.1080 10.1195 10.1195 10.5548 10.5548 10.7606 10.7606 10.8265 10.8265 10.9202 10.9202 10.9459 10.9459 10.9921 10.9921 11.2478 11.2478 11.3233 11.3233 11.3425 11.3425 k = 0.2308 0.1332 0.0942 ( 3590 PWs) bands (ev): 4.3194 4.3194 7.3188 7.3188 7.7049 7.7049 7.7214 7.7214 7.8673 7.8673 8.3086 8.3086 8.7918 8.7918 8.7931 8.7931 9.0455 9.0455 9.0464 9.0464 9.6843 9.6843 9.6955 9.6955 9.8338 9.8338 10.0831 10.0831 10.0908 10.0908 10.4924 10.4924 10.7671 10.7671 10.8303 10.8303 10.9221 10.9221 10.9475 10.9475 10.9970 10.9970 11.2502 11.2502 11.3644 11.3644 11.3803 11.3803 k = 0.2436 0.1406 0.0994 ( 3596 PWs) bands (ev): 4.3819 4.3819 7.3093 7.3093 7.7072 7.7072 7.7239 7.7239 7.8879 7.8879 8.2724 8.2724 8.8022 8.8022 8.8044 8.8044 9.0553 9.0553 9.0563 9.0563 9.6672 9.6672 9.6825 9.6825 9.7800 9.7800 10.0606 10.0606 10.0640 10.0640 10.4258 10.4258 10.7731 10.7731 10.8335 10.8335 10.9236 10.9236 10.9502 10.9502 11.0019 11.0019 11.2610 11.2610 11.4073 11.4073 11.4196 11.4196 k = 0.2564 0.1480 0.1047 ( 3602 PWs) bands (ev): 4.4471 4.4471 7.2959 7.2959 7.7098 7.7098 7.7267 7.7267 7.9096 7.9096 8.2367 8.2367 8.8134 8.8134 8.8166 8.8166 9.0655 9.0655 9.0663 9.0663 9.6459 9.6459 9.6666 9.6666 9.7285 9.7285 10.0393 10.0393 10.0402 10.0402 10.3569 10.3569 10.7787 10.7787 10.8361 10.8361 10.9245 10.9245 10.9540 10.9540 11.0068 11.0068 11.2790 11.2790 11.4517 11.4517 11.4603 11.4603 k = 0.2692 0.1554 0.1099 ( 3602 PWs) bands (ev): 4.5149 4.5149 7.2782 7.2782 7.7128 7.7128 7.7300 7.7300 7.9315 7.9315 8.2023 8.2023 8.8252 8.8252 8.8294 8.8294 9.0758 9.0758 9.0766 9.0766 9.6194 9.6194 9.6481 9.6481 9.6811 9.6811 10.0164 10.0164 10.0216 10.0216 10.2871 10.2871 10.7838 10.7838 10.8382 10.8382 10.9251 10.9251 10.9590 10.9590 11.0122 11.0122 11.3030 11.3030 11.4972 11.4972 11.5019 11.5019 k = 0.2821 0.1628 0.1151 ( 3596 PWs) bands (ev): 4.5852 4.5852 7.2561 7.2561 7.7162 7.7162 7.7337 7.7337 7.9523 7.9523 8.1707 8.1707 8.8377 8.8377 8.8428 8.8428 9.0863 9.0863 9.0871 9.0871 9.5865 9.5865 9.6273 9.6273 9.6401 9.6401 9.9952 9.9952 10.0044 10.0044 10.2172 10.2172 10.7886 10.7886 10.8400 10.8400 10.9253 10.9253 10.9648 10.9648 11.0180 11.0180 11.3324 11.3324 11.5432 11.5432 11.5439 11.5439 k = 0.2949 0.1702 0.1204 ( 3596 PWs) bands (ev): 4.6579 4.6579 7.2293 7.2293 7.7199 7.7199 7.7377 7.7377 7.9689 7.9689 8.1449 8.1449 8.8506 8.8506 8.8567 8.8567 9.0970 9.0970 9.0976 9.0976 9.5479 9.5479 9.6047 9.6047 9.6058 9.6058 9.9753 9.9753 9.9881 9.9881 10.1482 10.1482 10.7931 10.7931 10.8416 10.8416 10.9254 10.9254 10.9715 10.9715 11.0244 11.0244 11.3667 11.3667 11.5854 11.5854 11.5892 11.5892 k = 0.3077 0.1776 0.1256 ( 3591 PWs) bands (ev): 4.7328 4.7328 7.1978 7.1978 7.7239 7.7239 7.7421 7.7421 7.9758 7.9758 8.1305 8.1305 8.8639 8.8639 8.8709 8.8709 9.1078 9.1078 9.1083 9.1083 9.5072 9.5072 9.5754 9.5754 9.5807 9.5807 9.9565 9.9565 9.9723 9.9723 10.0804 10.0804 10.7973 10.7973 10.8429 10.8429 10.9254 10.9254 10.9790 10.9790 11.0314 11.0314 11.4055 11.4055 11.6255 11.6255 11.6344 11.6344 k = 0.3205 0.1850 0.1308 ( 3594 PWs) bands (ev): 4.8098 4.8098 7.1614 7.1614 7.7281 7.7281 7.7467 7.7467 7.9682 7.9682 8.1323 8.1323 8.8775 8.8775 8.8854 8.8854 9.1188 9.1188 9.1191 9.1191 9.4675 9.4675 9.5469 9.5469 9.5559 9.5559 9.9384 9.9384 9.9564 9.9564 10.0146 10.0146 10.8013 10.8013 10.8442 10.8442 10.9254 10.9254 10.9871 10.9871 11.0390 11.0390 11.4485 11.4485 11.6624 11.6624 11.6773 11.6773 k = 0.3333 0.1925 0.1361 ( 3615 PWs) bands (ev): 4.8887 4.8887 7.1201 7.1201 7.7325 7.7325 7.7515 7.7515 7.9478 7.9478 8.1486 8.1486 8.8912 8.8912 8.9000 8.9000 9.1298 9.1298 9.1298 9.1298 9.4301 9.4301 9.5193 9.5193 9.5306 9.5306 9.9210 9.9210 9.9364 9.9364 9.9548 9.9548 10.8050 10.8050 10.8454 10.8454 10.9254 10.9254 10.9958 10.9958 11.0472 11.0472 11.4954 11.4954 11.6928 11.6928 11.7151 11.7151 k = 0.3462 0.1999 0.1413 ( 3594 PWs) bands (ev): 4.9692 4.9692 7.0741 7.0741 7.7370 7.7370 7.7566 7.7566 7.9208 7.9208 8.1736 8.1736 8.9049 8.9049 8.9146 8.9146 9.1408 9.1408 9.1411 9.1411 9.3960 9.3960 9.4926 9.4926 9.5053 9.5053 9.8841 9.8841 9.9041 9.9041 9.9295 9.9295 10.8088 10.8088 10.8466 10.8466 10.9257 10.9257 11.0051 11.0051 11.0561 11.0561 11.5458 11.5458 11.7120 11.7120 11.7413 11.7413 k = 0.3590 0.2073 0.1466 ( 3591 PWs) bands (ev): 5.0511 5.0511 7.0233 7.0233 7.7416 7.7416 7.7617 7.7617 7.8913 7.8913 8.2029 8.2029 8.9184 8.9184 8.9289 8.9289 9.1517 9.1517 9.1523 9.1523 9.3654 9.3654 9.4667 9.4667 9.4803 9.4803 9.8245 9.8245 9.8875 9.8875 9.9137 9.9137 10.8124 10.8124 10.8479 10.8479 10.9260 10.9260 11.0149 11.0149 11.0656 11.0656 11.5987 11.5987 11.7167 11.7167 11.7467 11.7467 k = 0.3718 0.2147 0.1518 ( 3591 PWs) bands (ev): 5.1342 5.1342 6.9681 6.9681 7.7461 7.7461 7.7668 7.7668 7.8617 7.8617 8.2343 8.2343 8.9316 8.9316 8.9429 8.9429 9.1625 9.1625 9.1636 9.1636 9.3385 9.3385 9.4419 9.4419 9.4559 9.4559 9.7667 9.7667 9.8714 9.8714 9.8986 9.8986 10.8160 10.8160 10.8492 10.8492 10.9264 10.9264 11.0251 11.0251 11.0755 11.0755 11.6499 11.6499 11.7128 11.7128 11.7336 11.7336 k = 0.3846 0.2221 0.1570 ( 3597 PWs) bands (ev): 5.2180 5.2180 6.9088 6.9088 7.7504 7.7504 7.7718 7.7718 7.8332 7.8332 8.2666 8.2666 8.9442 8.9442 8.9562 8.9562 9.1732 9.1732 9.1750 9.1750 9.3153 9.3153 9.4183 9.4183 9.4324 9.4324 9.7115 9.7115 9.8558 9.8558 9.8839 9.8839 10.8196 10.8196 10.8505 10.8505 10.9271 10.9271 11.0355 11.0355 11.0858 11.0858 11.6699 11.6699 11.7119 11.7119 11.7354 11.7354 k = 0.3974 0.2295 0.1623 ( 3609 PWs) bands (ev): 5.3021 5.3021 6.8459 6.8459 7.7541 7.7541 7.7766 7.7766 7.8070 7.8070 8.2988 8.2988 8.9561 8.9561 8.9689 8.9689 9.1838 9.1838 9.1863 9.1863 9.2957 9.2957 9.3960 9.3960 9.4100 9.4100 9.6591 9.6591 9.8408 9.8408 9.8696 9.8696 10.8230 10.8230 10.8517 10.8517 10.9278 10.9278 11.0461 11.0461 11.0962 11.0962 11.6547 11.6547 11.6875 11.6875 11.7923 11.7923 k = 0.4103 0.2369 0.1675 ( 3597 PWs) bands (ev): 5.3859 5.3859 6.7801 6.7801 7.7563 7.7563 7.7811 7.7811 7.7845 7.7845 8.3302 8.3302 8.9672 8.9672 8.9808 8.9808 9.1942 9.1942 9.1977 9.1977 9.2797 9.2797 9.3752 9.3752 9.3888 9.3888 9.6100 9.6100 9.8267 9.8267 9.8561 9.8561 10.8263 10.8263 10.8529 10.8529 10.9287 10.9287 11.0567 11.0567 11.1067 11.1067 11.6336 11.6336 11.6631 11.6631 11.8565 11.8565 k = 0.4231 0.2443 0.1727 ( 3597 PWs) bands (ev): 5.4685 5.4685 6.7126 6.7126 7.7515 7.7515 7.7714 7.7714 7.7853 7.7853 8.3598 8.3598 8.9772 8.9772 8.9914 8.9914 9.2042 9.2042 9.2090 9.2090 9.2671 9.2671 9.3561 9.3561 9.3690 9.3690 9.5648 9.5648 9.8137 9.8137 9.8435 9.8435 10.8294 10.8294 10.8539 10.8539 10.9296 10.9296 11.0670 11.0670 11.1170 11.1170 11.6120 11.6120 11.6397 11.6397 11.9229 11.9229 k = 0.4359 0.2517 0.1780 ( 3597 PWs) bands (ev): 5.5488 5.5488 6.6446 6.6446 7.7372 7.7372 7.7704 7.7704 7.7890 7.7890 8.3870 8.3870 8.9861 8.9861 9.0008 9.0008 9.2137 9.2137 9.2202 9.2202 9.2578 9.2578 9.3387 9.3387 9.3506 9.3506 9.5241 9.5241 9.8020 9.8020 9.8320 9.8320 10.8322 10.8322 10.8549 10.8549 10.9306 10.9306 11.0768 11.0768 11.1267 11.1267 11.5917 11.5917 11.6183 11.6183 11.9895 11.9895 k = 0.4487 0.2591 0.1832 ( 3597 PWs) bands (ev): 5.6249 5.6249 6.5782 6.5782 7.7228 7.7228 7.7722 7.7722 7.7921 7.7921 8.4109 8.4109 8.9936 8.9936 9.0088 9.0088 9.2226 9.2226 9.2313 9.2313 9.2515 9.2515 9.3231 9.3231 9.3337 9.3337 9.4884 9.4884 9.7919 9.7919 9.8222 9.8222 10.8346 10.8346 10.8557 10.8557 10.9315 10.9315 11.0857 11.0857 11.1355 11.1355 11.5737 11.5737 11.5995 11.5995 12.0535 12.0536 k = 0.4615 0.2665 0.1884 ( 3597 PWs) bands (ev): 5.6939 5.6939 6.5164 6.5164 7.7111 7.7111 7.7740 7.7740 7.7947 7.7947 8.4307 8.4307 8.9996 8.9996 9.0153 9.0153 9.2305 9.2305 9.2423 9.2423 9.2479 9.2479 9.3096 9.3096 9.3183 9.3183 9.4589 9.4589 9.7837 9.7837 9.8141 9.8141 10.8366 10.8366 10.8563 10.8563 10.9323 10.9323 11.0932 11.0932 11.1430 11.1430 11.5587 11.5587 11.5841 11.5841 12.0950 12.0979 k = 0.4744 0.2739 0.1937 ( 3591 PWs) bands (ev): 5.7514 5.7514 6.4640 6.4640 7.7026 7.7026 7.7755 7.7755 7.7965 7.7965 8.4455 8.4455 9.0039 9.0039 9.0199 9.0199 9.2373 9.2373 9.2464 9.2464 9.2531 9.2531 9.2986 9.2986 9.3043 9.3043 9.4366 9.4366 9.7776 9.7776 9.8081 9.8081 10.8381 10.8381 10.8568 10.8568 10.9329 10.9329 11.0991 11.0991 11.1488 11.1488 11.5475 11.5475 11.5726 11.5726 12.1090 12.1124 k = 0.4872 0.2813 0.1989 ( 3597 PWs) bands (ev): 5.7908 5.7908 6.4276 6.4276 7.6975 7.6975 7.7764 7.7764 7.7976 7.7976 8.4547 8.4547 9.0066 9.0066 9.0228 9.0228 9.2422 9.2422 9.2459 9.2459 9.2634 9.2634 9.2910 9.2910 9.2921 9.2921 9.4226 9.4226 9.7738 9.7738 9.8044 9.8044 10.8389 10.8389 10.8570 10.8570 10.9333 10.9333 11.1027 11.1027 11.1524 11.1524 11.5405 11.5405 11.5654 11.5654 12.1179 12.1199 k = 0.5000 0.2887 0.2041 ( 3600 PWs) bands (ev): 5.8051 5.8051 6.4144 6.4144 7.6957 7.6957 7.7768 7.7768 7.7980 7.7980 8.4578 8.4578 9.0075 9.0075 9.0238 9.0238 9.2449 9.2449 9.2450 9.2450 9.2697 9.2697 9.2852 9.2852 9.2882 9.2882 9.4178 9.4178 9.7726 9.7726 9.8032 9.8032 10.8392 10.8392 10.8571 10.8571 10.9334 10.9334 11.1039 11.1039 11.1537 11.1537 11.5381 11.5381 11.5630 11.5630 12.1190 12.1199 k = 0.5000 0.2887 0.2041 ( 3600 PWs) bands (ev): 5.8051 5.8051 6.4144 6.4144 7.6957 7.6957 7.7768 7.7768 7.7980 7.7980 8.4578 8.4578 9.0075 9.0075 9.0238 9.0238 9.2449 9.2449 9.2450 9.2450 9.2697 9.2697 9.2852 9.2852 9.2882 9.2882 9.4178 9.4178 9.7726 9.7726 9.8032 9.8032 10.8392 10.8392 10.8571 10.8571 10.9334 10.9334 11.1039 11.1039 11.1537 11.1537 11.5381 11.5381 11.5630 11.5630 12.1190 12.1208 k = 0.5045 0.2758 0.2114 ( 3596 PWs) bands (ev): 5.8061 5.8061 6.4156 6.4156 7.6961 7.6961 7.7767 7.7767 7.7980 7.7980 8.4581 8.4581 9.0072 9.0072 9.0235 9.0235 9.2387 9.2387 9.2494 9.2494 9.2699 9.2699 9.2859 9.2859 9.2899 9.2899 9.4176 9.4176 9.7722 9.7722 9.8028 9.8028 10.8374 10.8374 10.8556 10.8556 10.9315 10.9315 11.1033 11.1033 11.1531 11.1531 11.5409 11.5409 11.5656 11.5656 12.1001 12.1001 k = 0.5089 0.2629 0.2187 ( 3595 PWs) bands (ev): 5.8091 5.8091 6.4192 6.4192 7.6970 7.6970 7.7760 7.7760 7.7982 7.7982 8.4592 8.4592 9.0060 9.0060 9.0227 9.0227 9.2316 9.2316 9.2509 9.2509 9.2705 9.2705 9.2881 9.2881 9.2948 9.2948 9.4169 9.4169 9.7710 9.7710 9.8016 9.8016 10.8317 10.8317 10.8512 10.8512 10.9260 10.9260 11.1013 11.1013 11.1515 11.1515 11.5488 11.5488 11.5735 11.5735 12.0635 12.0635 k = 0.5134 0.2500 0.2260 ( 3597 PWs) bands (ev): 5.8142 5.8142 6.4251 6.4251 7.6986 7.6986 7.7737 7.7737 7.7998 7.7998 8.4609 8.4609 9.0035 9.0035 9.0220 9.0220 9.2237 9.2237 9.2500 9.2500 9.2705 9.2705 9.2932 9.2932 9.3020 9.3020 9.4157 9.4157 9.7689 9.7689 9.7997 9.7997 10.8225 10.8225 10.8439 10.8439 10.9168 10.9168 11.0980 11.0980 11.1491 11.1491 11.5611 11.5611 11.5865 11.5865 12.0257 12.0257 k = 0.5179 0.2371 0.2333 ( 3595 PWs) bands (ev): 5.8213 5.8213 6.4335 6.4335 7.7008 7.7008 7.7691 7.7691 7.8035 7.8035 8.4633 8.4633 8.9992 8.9992 9.0218 9.0218 9.2151 9.2151 9.2482 9.2482 9.2693 9.2693 9.3005 9.3005 9.3112 9.3112 9.4138 9.4138 9.7659 9.7659 9.7974 9.7974 10.8100 10.8100 10.8340 10.8340 10.9044 10.9044 11.0930 11.0930 11.1462 11.1462 11.5766 11.5766 11.6045 11.6045 11.9887 11.9887 k = 0.5223 0.2242 0.2406 ( 3597 PWs) bands (ev): 5.8303 5.8303 6.4441 6.4441 7.7035 7.7035 7.7622 7.7622 7.8094 7.8094 8.4663 8.4663 8.9929 8.9929 9.0223 9.0223 9.2056 9.2056 9.2464 9.2464 9.2676 9.2676 9.3087 9.3087 9.3223 9.3223 9.4114 9.4114 9.7619 9.7619 9.7947 9.7947 10.7947 10.7947 10.8217 10.8217 10.8889 10.8889 11.0860 11.0860 11.1432 11.1432 11.5940 11.5940 11.6270 11.6270 11.9536 11.9536 k = 0.5268 0.2114 0.2479 ( 3597 PWs) bands (ev): 5.8414 5.8414 6.4571 6.4571 7.7067 7.7067 7.7531 7.7531 7.8173 7.8173 8.4700 8.4700 8.9849 8.9849 9.0233 9.0233 9.1948 9.1948 9.2451 9.2451 9.2659 9.2659 9.3170 9.3170 9.3348 9.3348 9.4086 9.4086 9.7567 9.7567 9.7921 9.7921 10.7769 10.7769 10.8073 10.8073 10.8707 10.8707 11.0768 11.0768 11.1403 11.1403 11.6122 11.6122 11.6531 11.6531 11.9211 11.9211 k = 0.5312 0.1985 0.2552 ( 3595 PWs) bands (ev): 5.8544 5.8544 6.4722 6.4722 7.7101 7.7101 7.7425 7.7425 7.8270 7.8270 8.4742 8.4742 8.9754 8.9754 9.0248 9.0248 9.1831 9.1831 9.2445 9.2445 9.2644 9.2644 9.3251 9.3251 9.3478 9.3478 9.4062 9.4062 9.7502 9.7502 9.7897 9.7897 10.7570 10.7570 10.7909 10.7909 10.8501 10.8501 11.0649 11.0649 11.1378 11.1378 11.6297 11.6297 11.6815 11.6815 11.8922 11.8923 k = 0.5357 0.1856 0.2624 ( 3588 PWs) bands (ev): 5.8693 5.8693 6.4894 6.4894 7.7125 7.7125 7.7315 7.7315 7.8384 7.8384 8.4790 8.4790 8.9645 8.9645 9.0264 9.0264 9.1704 9.1704 9.2446 9.2446 9.2632 9.2632 9.3327 9.3327 9.3590 9.3590 9.4061 9.4061 9.7424 9.7424 9.7879 9.7879 10.7355 10.7355 10.7727 10.7727 10.8276 10.8276 11.0502 11.0502 11.1357 11.1357 11.6444 11.6444 11.7102 11.7102 11.8686 11.8686 k = 0.5402 0.1727 0.2697 ( 3596 PWs) bands (ev): 5.8860 5.8860 6.5086 6.5086 7.7082 7.7082 7.7261 7.7261 7.8514 7.8514 8.4842 8.4842 8.9526 8.9526 9.0281 9.0281 9.1570 9.1570 9.2454 9.2454 9.2620 9.2620 9.3396 9.3396 9.3650 9.3650 9.4118 9.4118 9.7332 9.7332 9.7868 9.7868 10.7126 10.7126 10.7527 10.7527 10.8039 10.8039 11.0323 11.0323 11.1341 11.1341 11.6534 11.6534 11.7352 11.7352 11.8527 11.8527 k = 0.5446 0.1598 0.2770 ( 3600 PWs) bands (ev): 5.9046 5.9046 6.5297 6.5297 7.6945 7.6945 7.7288 7.7288 7.8659 7.8659 8.4898 8.4898 8.9398 8.9398 9.0296 9.0296 9.1430 9.1430 9.2470 9.2470 9.2602 9.2602 9.3449 9.3449 9.3657 9.3657 9.4244 9.4244 9.7228 9.7228 9.7867 9.7867 10.6886 10.6886 10.7304 10.7304 10.7799 10.7799 11.0112 11.0112 11.1329 11.1329 11.6543 11.6543 11.7491 11.7491 11.8485 11.8485 k = 0.5491 0.1469 0.2843 ( 3588 PWs) bands (ev): 5.9249 5.9249 6.5525 6.5525 7.6775 7.6775 7.7339 7.7339 7.8819 7.8819 8.4957 8.4957 8.9267 8.9267 9.0309 9.0309 9.1288 9.1288 9.2492 9.2492 9.2576 9.2576 9.3471 9.3471 9.3654 9.3654 9.4412 9.4412 9.7113 9.7113 9.7877 9.7877 10.6638 10.6638 10.7054 10.7054 10.7567 10.7567 10.9869 10.9869 11.1321 11.1321 11.6462 11.6462 11.7459 11.7459 11.8581 11.8581 k = 0.5536 0.1340 0.2916 ( 3595 PWs) bands (ev): 5.9470 5.9470 6.5769 6.5769 7.6586 7.6586 7.7396 7.7396 7.8994 7.8994 8.5017 8.5017 8.9133 8.9133 9.0318 9.0318 9.1145 9.1145 9.2498 9.2498 9.2551 9.2551 9.3453 9.3453 9.3675 9.3675 9.4598 9.4598 9.6989 9.6989 9.7899 9.7899 10.6380 10.6380 10.6775 10.6775 10.7351 10.7351 10.9596 10.9596 11.1315 11.1315 11.6312 11.6312 11.7312 11.7312 11.8762 11.8762 k = 0.5580 0.1211 0.2989 ( 3601 PWs) bands (ev): 5.9706 5.9706 6.6027 6.6027 7.6383 7.6383 7.7458 7.7458 7.9183 7.9183 8.5077 8.5077 8.9001 8.9001 9.0320 9.0320 9.1003 9.1003 9.2431 9.2431 9.2577 9.2577 9.3420 9.3420 9.3710 9.3710 9.4793 9.4793 9.6858 9.6858 9.7934 9.7934 10.6110 10.6110 10.6472 10.6472 10.7156 10.7156 10.9296 10.9296 11.1312 11.1312 11.6117 11.6117 11.7133 11.7133 11.8972 11.8972 k = 0.5625 0.1083 0.3062 ( 3593 PWs) bands (ev): 5.9959 5.9959 6.6295 6.6295 7.6168 7.6168 7.7522 7.7522 7.9386 7.9386 8.5136 8.5136 8.8875 8.8875 9.0315 9.0315 9.0865 9.0865 9.2321 9.2321 9.2622 9.2622 9.3392 9.3392 9.3747 9.3747 9.4988 9.4988 9.6724 9.6724 9.7985 9.7985 10.5822 10.5822 10.6161 10.6161 10.6981 10.6981 10.8975 10.8975 11.1309 11.1309 11.5900 11.5900 11.6961 11.6961 11.9137 11.9137 k = 0.5670 0.0954 0.3135 ( 3595 PWs) bands (ev): 6.0225 6.0225 6.6572 6.6572 7.5942 7.5942 7.7588 7.7588 7.9603 7.9603 8.5190 8.5190 8.8759 8.8759 9.0298 9.0298 9.0731 9.0731 9.2179 9.2179 9.2675 9.2675 9.3374 9.3374 9.3779 9.3779 9.5175 9.5175 9.6593 9.6593 9.8049 9.8049 10.5503 10.5503 10.5858 10.5858 10.6823 10.6823 10.8640 10.8640 11.1308 11.1308 11.5671 11.5671 11.6809 11.6809 11.9106 11.9106 k = 0.5714 0.0825 0.3208 ( 3593 PWs) bands (ev): 6.0506 6.0506 6.6853 6.6853 7.5709 7.5709 7.7655 7.7655 7.9832 7.9832 8.5238 8.5238 8.8656 8.8656 9.0268 9.0268 9.0603 9.0603 9.2011 9.2011 9.2734 9.2734 9.3362 9.3362 9.3805 9.3805 9.5344 9.5344 9.6474 9.6474 9.8128 9.8128 10.5147 10.5147 10.5576 10.5576 10.6682 10.6682 10.8299 10.8299 11.1308 11.1308 11.5437 11.5437 11.6682 11.6682 11.8976 11.8976 k = 0.5759 0.0696 0.3281 ( 3589 PWs) bands (ev): 6.0798 6.0798 6.7133 6.7133 7.5471 7.5471 7.7722 7.7722 8.0072 8.0072 8.5277 8.5277 8.8572 8.8572 9.0220 9.0220 9.0485 9.0485 9.1824 9.1824 9.2798 9.2798 9.3353 9.3353 9.3826 9.3826 9.5477 9.5477 9.6387 9.6387 9.8221 9.8221 10.4761 10.4761 10.5312 10.5312 10.6556 10.6556 10.7961 10.7961 11.1307 11.1307 11.5204 11.5204 11.6578 11.6578 11.8828 11.8828 k = 0.5804 0.0567 0.3353 ( 3588 PWs) bands (ev): 6.1101 6.1101 6.7407 6.7407 7.5233 7.5233 7.7787 7.7787 8.0325 8.0325 8.5305 8.5305 8.8509 8.8509 9.0151 9.0151 9.0379 9.0379 9.1625 9.1625 9.2867 9.2867 9.3339 9.3339 9.3841 9.3841 9.5550 9.5550 9.6355 9.6355 9.8328 9.8328 10.4353 10.4353 10.5059 10.5059 10.6445 10.6445 10.7637 10.7637 11.1306 11.1306 11.4972 11.4972 11.6497 11.6497 11.8675 11.8675 k = 0.5848 0.0438 0.3426 ( 3592 PWs) bands (ev): 6.1414 6.1414 6.7666 6.7666 7.5001 7.5001 7.7851 7.7851 8.0588 8.0588 8.5321 8.5321 8.8468 8.8468 9.0060 9.0060 9.0285 9.0285 9.1422 9.1422 9.2939 9.2939 9.3317 9.3317 9.3853 9.3853 9.5546 9.5546 9.6395 9.6395 9.8446 9.8446 10.3931 10.3931 10.4809 10.4809 10.6348 10.6348 10.7339 10.7339 11.1303 11.1303 11.4744 11.4744 11.6433 11.6433 11.8521 11.8521 k = 0.5893 0.0309 0.3499 ( 3586 PWs) bands (ev): 6.1733 6.1733 6.7902 6.7902 7.4784 7.4784 7.7911 7.7911 8.0861 8.0861 8.5325 8.5325 8.8451 8.8451 8.9953 8.9953 9.0196 9.0196 9.1221 9.1221 9.3012 9.3012 9.3286 9.3286 9.3861 9.3861 9.5484 9.5484 9.6490 9.6490 9.8576 9.8576 10.3499 10.3499 10.4558 10.4558 10.6263 10.6263 10.7080 10.7080 11.1301 11.1301 11.4521 11.4521 11.6385 11.6385 11.8365 11.8365 k = 0.5938 0.0180 0.3572 ( 3574 PWs) bands (ev): 6.2057 6.2057 6.8102 6.8102 7.4592 7.4592 7.7968 7.7968 8.1143 8.1143 8.5318 8.5318 8.8454 8.8454 8.9840 8.9840 9.0105 9.0105 9.1028 9.1028 9.3083 9.3083 9.3246 9.3246 9.3867 9.3867 9.5391 9.5391 9.6611 9.6611 9.8716 9.8716 10.3062 10.3062 10.4301 10.4301 10.6189 10.6189 10.6869 10.6869 11.1295 11.1295 11.4305 11.4305 11.6350 11.6350 11.8209 11.8209 k = 0.5982 0.0052 0.3645 ( 3573 PWs) bands (ev): 6.2383 6.2383 6.8253 6.8253 7.4437 7.4437 7.8019 7.8019 8.1432 8.1432 8.5301 8.5301 8.8472 8.8472 8.9728 8.9728 9.0009 9.0009 9.0847 9.0847 9.3133 9.3133 9.3216 9.3216 9.3871 9.3871 9.5286 9.5286 9.6737 9.6737 9.8864 9.8864 10.2622 10.2622 10.4037 10.4037 10.6124 10.6124 10.6716 10.6716 11.1286 11.1286 11.4096 11.4096 11.6323 11.6323 11.8049 11.8049 k = 0.6027-0.0077 0.3718 ( 3571 PWs) bands (ev): 6.2707 6.2707 6.8343 6.8343 7.4332 7.4332 7.8064 7.8064 8.1727 8.1727 8.5280 8.5280 8.8495 8.8495 8.9628 8.9628 8.9906 8.9906 9.0679 9.0679 9.3106 9.3106 9.3254 9.3254 9.3874 9.3874 9.5174 9.5174 9.6857 9.6857 9.9019 9.9019 10.2182 10.2182 10.3766 10.3766 10.6072 10.6072 10.6620 10.6620 11.1274 11.1274 11.3897 11.3897 11.6302 11.6302 11.7886 11.7886 k = 0.6071-0.0206 0.3791 ( 3571 PWs) bands (ev): 6.3023 6.3023 6.8360 6.8360 7.4291 7.4291 7.8103 7.8103 8.2027 8.2027 8.5258 8.5258 8.8506 8.8506 8.9557 8.9557 8.9799 8.9799 9.0524 9.0524 9.3049 9.3049 9.3315 9.3315 9.3879 9.3879 9.5059 9.5059 9.6966 9.6966 9.9180 9.9180 10.1744 10.1744 10.3492 10.3492 10.6039 10.6039 10.6575 10.6575 11.1256 11.1256 11.3708 11.3708 11.6284 11.6284 11.7719 11.7719 k = 0.6116-0.0335 0.3864 ( 3576 PWs) bands (ev): 6.3325 6.3325 6.8300 6.8300 7.4319 7.4319 7.8135 7.8135 8.2329 8.2329 8.5241 8.5241 8.8486 8.8486 8.9532 8.9532 8.9689 8.9689 9.0380 9.0380 9.2995 9.2995 9.3372 9.3372 9.3885 9.3885 9.4940 9.4940 9.7058 9.7058 9.9343 9.9343 10.1314 10.1314 10.3222 10.3222 10.6034 10.6034 10.6570 10.6570 11.1231 11.1231 11.3533 11.3533 11.6265 11.6265 11.7547 11.7547 k = 0.6161-0.0464 0.3937 ( 3578 PWs) bands (ev): 6.3601 6.3601 6.8170 6.8170 7.4416 7.4416 7.8160 7.8160 8.2630 8.2630 8.5233 8.5233 8.8427 8.8427 8.9537 8.9537 8.9605 8.9605 9.0244 9.0244 9.2952 9.2952 9.3418 9.3418 9.3895 9.3895 9.4816 9.4816 9.7128 9.7128 9.9501 9.9501 10.0899 10.0899 10.2964 10.2964 10.6058 10.6058 10.6599 10.6599 11.1198 11.1198 11.3373 11.3373 11.6244 11.6244 11.7370 11.7370 k = 0.6205-0.0593 0.4010 ( 3572 PWs) bands (ev): 6.3837 6.3837 6.7988 6.7988 7.4577 7.4577 7.8181 7.8181 8.2929 8.2929 8.5239 8.5239 8.8334 8.8334 8.9451 8.9451 8.9662 8.9662 9.0118 9.0118 9.2928 9.2928 9.3451 9.3451 9.3910 9.3910 9.4689 9.4689 9.7171 9.7171 9.9632 9.9632 10.0523 10.0523 10.2727 10.2727 10.6113 10.6113 10.6656 10.6656 11.1156 11.1156 11.3230 11.3230 11.6216 11.6216 11.7188 11.7188 k = 0.6250-0.0722 0.4082 ( 3580 PWs) bands (ev): 6.4009 6.4009 6.7784 6.7784 7.4788 7.4788 7.8200 7.8200 8.3221 8.3221 8.5261 8.5261 8.8221 8.8221 8.9348 8.9348 8.9745 8.9745 9.0029 9.0029 9.2926 9.2926 9.3467 9.3467 9.3927 9.3927 9.4560 9.4560 9.7182 9.7182 9.9645 9.9645 10.0279 10.0279 10.2517 10.2517 10.6196 10.6196 10.6735 10.6735 11.1103 11.1103 11.3107 11.3107 11.6177 11.6177 11.7005 11.7005 k = 0.6250-0.0722 0.4082 ( 3580 PWs) bands (ev): 6.4009 6.4009 6.7784 6.7784 7.4788 7.4788 7.8200 7.8200 8.3221 8.3221 8.5261 8.5261 8.8221 8.8221 8.9348 8.9348 8.9745 8.9745 9.0029 9.0029 9.2926 9.2926 9.3467 9.3467 9.3927 9.3927 9.4560 9.4560 9.7182 9.7182 9.9645 9.9645 10.0279 10.0279 10.2517 10.2517 10.6196 10.6196 10.6735 10.6735 11.1103 11.1103 11.3107 11.3107 11.6177 11.6177 11.7005 11.7005 k = 0.6172-0.0677 0.4210 ( 3574 PWs) bands (ev): 6.4020 6.4020 6.7781 6.7781 7.4794 7.4794 7.8194 7.8194 8.3228 8.3228 8.5266 8.5266 8.8215 8.8215 8.9318 8.9318 8.9750 8.9750 9.0030 9.0030 9.2863 9.2863 9.3492 9.3492 9.3943 9.3943 9.4602 9.4602 9.7191 9.7191 9.9635 9.9635 10.0278 10.0278 10.2505 10.2505 10.6186 10.6186 10.6736 10.6736 11.1114 11.1114 11.3107 11.3107 11.6181 11.6181 11.7008 11.7008 k = 0.6094-0.0631 0.4338 ( 3567 PWs) bands (ev): 6.4052 6.4052 6.7772 6.7772 7.4813 7.4813 7.8176 7.8176 8.3249 8.3249 8.5281 8.5281 8.8197 8.8197 8.9232 8.9232 8.9763 8.9763 9.0033 9.0033 9.2725 9.2725 9.3484 9.3484 9.4039 9.4039 9.4711 9.4711 9.7217 9.7217 9.9605 9.9605 10.0275 10.0275 10.2467 10.2467 10.6159 10.6159 10.6737 10.6737 11.1146 11.1146 11.3106 11.3106 11.6194 11.6194 11.7019 11.7019 k = 0.6016-0.0586 0.4465 ( 3569 PWs) bands (ev): 6.4106 6.4106 6.7756 6.7756 7.4845 7.4845 7.8145 7.8145 8.3284 8.3284 8.5306 8.5306 8.8167 8.8167 8.9094 8.9094 8.9785 8.9785 9.0038 9.0038 9.2569 9.2569 9.3396 9.3396 9.4229 9.4229 9.4859 9.4859 9.7261 9.7261 9.9555 9.9555 10.0268 10.0268 10.2406 10.2406 10.6116 10.6116 10.6737 10.6737 11.1198 11.1198 11.3103 11.3103 11.6216 11.6216 11.7035 11.7035 k = 0.5938-0.0541 0.4593 ( 3571 PWs) bands (ev): 6.4181 6.4181 6.7734 6.7734 7.4889 7.4889 7.8101 7.8101 8.3333 8.3333 8.5340 8.5340 8.8125 8.8125 8.8912 8.8912 8.9813 8.9813 9.0046 9.0046 9.2413 9.2413 9.3266 9.3266 9.4468 9.4468 9.5031 9.5031 9.7320 9.7320 9.9485 9.9485 10.0256 10.0256 10.2326 10.2326 10.6059 10.6059 10.6734 10.6734 11.1267 11.1267 11.3099 11.3099 11.6246 11.6246 11.7056 11.7056 k = 0.5859-0.0496 0.4720 ( 3571 PWs) bands (ev): 6.4276 6.4276 6.7704 6.7704 7.4946 7.4946 7.8041 7.8041 8.3396 8.3396 8.5382 8.5382 8.8071 8.8071 8.8694 8.8694 8.9849 8.9849 9.0058 9.0058 9.2264 9.2264 9.3118 9.3118 9.4728 9.4728 9.5217 9.5217 9.7393 9.7393 9.9396 9.9396 10.0239 10.0239 10.2229 10.2229 10.5993 10.5993 10.6725 10.6725 11.1351 11.1351 11.3094 11.3094 11.6284 11.6284 11.7080 11.7080 k = 0.5781-0.0451 0.4848 ( 3577 PWs) bands (ev): 6.4392 6.4392 6.7666 6.7666 7.5015 7.5015 7.7967 7.7967 8.3472 8.3472 8.5432 8.5432 8.8003 8.8003 8.8452 8.8452 8.9892 8.9892 9.0073 9.0073 9.2122 9.2122 9.2962 9.2962 9.4997 9.4997 9.5414 9.5414 9.7477 9.7477 9.9287 9.9287 10.0216 10.0216 10.2121 10.2121 10.5922 10.5922 10.6710 10.6710 11.1447 11.1447 11.3086 11.3086 11.6330 11.6330 11.7106 11.7106 k = 0.5703-0.0406 0.4976 ( 3579 PWs) bands (ev): 6.4527 6.4527 6.7620 6.7620 7.5097 7.5097 7.7875 7.7875 8.3562 8.3562 8.5488 8.5488 8.7915 8.7915 8.8200 8.8200 8.9944 8.9944 9.0094 9.0094 9.1988 9.1988 9.2804 9.2804 9.5268 9.5268 9.5621 9.5621 9.7569 9.7569 9.9160 9.9160 10.0186 10.0186 10.2003 10.2003 10.5847 10.5847 10.6687 10.6687 11.1553 11.1553 11.3076 11.3076 11.6383 11.6383 11.7131 11.7131 k = 0.5625-0.0361 0.5103 ( 3587 PWs) bands (ev): 6.4681 6.4681 6.7563 6.7563 7.5191 7.5191 7.7767 7.7767 8.3665 8.3665 8.5547 8.5547 8.7781 8.7781 8.7976 8.7976 9.0003 9.0003 9.0119 9.0119 9.1859 9.1859 9.2646 9.2646 9.5536 9.5536 9.5836 9.5836 9.7664 9.7664 9.9016 9.9016 10.0151 10.0151 10.1879 10.1879 10.5773 10.5773 10.6656 10.6656 11.1666 11.1666 11.3061 11.3061 11.6444 11.6444 11.7155 11.7155 k = 0.5547-0.0316 0.5231 ( 3593 PWs) bands (ev): 6.4852 6.4852 6.7494 6.7494 7.5297 7.5297 7.7640 7.7640 8.3782 8.3782 8.5602 8.5602 8.7565 8.7565 8.7828 8.7828 9.0068 9.0068 9.0150 9.0150 9.1739 9.1739 9.2490 9.2490 9.5796 9.5796 9.6060 9.6060 9.7754 9.7754 9.8858 9.8858 10.0116 10.0116 10.1751 10.1751 10.5703 10.5703 10.6619 10.6619 11.1784 11.1784 11.3039 11.3039 11.6510 11.6510 11.7175 11.7175 k = 0.5469-0.0271 0.5358 ( 3596 PWs) bands (ev): 6.5039 6.5039 6.7411 6.7411 7.5416 7.5416 7.7496 7.7496 8.3913 8.3913 8.5648 8.5648 8.7321 8.7321 8.7715 8.7715 9.0134 9.0134 9.0189 9.0189 9.1628 9.1628 9.2337 9.2337 9.6046 9.6046 9.6289 9.6289 9.7832 9.7832 9.8689 9.8689 10.0088 10.0088 10.1617 10.1617 10.5637 10.5637 10.6578 10.6578 11.1904 11.1904 11.3010 11.3010 11.6581 11.6581 11.7189 11.7189 k = 0.5391-0.0226 0.5486 ( 3600 PWs) bands (ev): 6.5242 6.5242 6.7312 6.7312 7.5546 7.5546 7.7335 7.7335 8.4058 8.4058 8.5669 8.5669 8.7101 8.7101 8.7607 8.7607 9.0191 9.0191 9.0244 9.0244 9.1530 9.1530 9.2189 9.2189 9.6285 9.6285 9.6519 9.6519 9.7883 9.7883 9.8514 9.8514 10.0077 10.0077 10.1478 10.1478 10.5577 10.5577 10.6534 10.6534 11.2025 11.2025 11.2972 11.2972 11.6656 11.6656 11.7195 11.7195 k = 0.5312-0.0180 0.5613 ( 3596 PWs) bands (ev): 6.5458 6.5458 6.7193 6.7193 7.5688 7.5688 7.7160 7.7160 8.4216 8.4216 8.5643 8.5643 8.6936 8.6936 8.7498 8.7498 9.0235 9.0235 9.0311 9.0311 9.1451 9.1451 9.2045 9.2045 9.6516 9.6516 9.6745 9.6745 9.7893 9.7893 9.8341 9.8341 10.0095 10.0095 10.1332 10.1332 10.5525 10.5525 10.6493 10.6493 11.2146 11.2146 11.2924 11.2924 11.6733 11.6733 11.7192 11.7192 k = 0.5234-0.0135 0.5741 ( 3595 PWs) bands (ev): 6.5686 6.5686 6.7051 6.7051 7.5840 7.5840 7.6974 7.6974 8.4387 8.4387 8.5551 8.5551 8.6852 8.6852 8.7387 8.7387 9.0274 9.0274 9.0374 9.0374 9.1401 9.1401 9.1907 9.1907 9.6740 9.6740 9.6958 9.6958 9.7846 9.7846 9.8179 9.8179 10.0154 10.0154 10.1177 10.1177 10.5482 10.5482 10.6456 10.6456 11.2265 11.2265 11.2863 11.2863 11.6809 11.6810 11.7179 11.7179 k = 0.5156-0.0090 0.5869 ( 3595 PWs) bands (ev): 6.5923 6.5923 6.6883 6.6883 7.6002 7.6002 7.6782 7.6782 8.4571 8.4571 8.5396 8.5396 8.6849 8.6849 8.7276 8.7276 9.0309 9.0309 9.0419 9.0419 9.1392 9.1392 9.1774 9.1774 9.6958 9.6958 9.7151 9.7151 9.7735 9.7735 9.8037 9.8037 10.0259 10.0259 10.1011 10.1011 10.5448 10.5448 10.6426 10.6426 11.2381 11.2381 11.2789 11.2789 11.6883 11.6883 11.7155 11.7155 k = 0.5078-0.0045 0.5996 ( 3591 PWs) bands (ev): 6.6164 6.6164 6.6689 6.6689 7.6168 7.6168 7.6595 7.6595 8.4766 8.4766 8.5202 8.5202 8.6901 8.6901 8.7169 8.7169 9.0337 9.0337 9.0440 9.0440 9.1432 9.1432 9.1647 9.1647 9.7166 9.7166 9.7306 9.7306 9.7580 9.7580 9.7919 9.7919 10.0405 10.0405 10.0834 10.0834 10.5426 10.5426 10.6408 10.6408 11.2493 11.2493 11.2704 11.2704 11.6948 11.6948 11.7123 11.7123 k = 0.5000-0.0000 0.6124 ( 3552 PWs) bands (ev): 6.6344 6.6344 6.6526 6.6526 7.6282 7.6282 7.6473 7.6473 8.4931 8.4931 8.5035 8.5035 8.6954 8.6954 8.7104 8.7104 9.0350 9.0350 9.0445 9.0445 9.1508 9.1508 9.1544 9.1544 9.7328 9.7328 9.7349 9.7349 9.7464 9.7464 9.7862 9.7862 10.0537 10.0537 10.0696 10.0696 10.5420 10.5420 10.6402 10.6402 11.2587 11.2587 11.2620 11.2620 11.6982 11.6982 11.7102 11.7102 k = 0.5000-0.0000 0.6124 ( 3552 PWs) bands (ev): 6.6344 6.6344 6.6526 6.6526 7.6282 7.6282 7.6473 7.6473 8.4931 8.4931 8.5035 8.5035 8.6954 8.6954 8.7104 8.7104 9.0350 9.0350 9.0445 9.0445 9.1508 9.1508 9.1544 9.1544 9.7328 9.7328 9.7349 9.7349 9.7464 9.7464 9.7862 9.7862 10.0537 10.0537 10.0696 10.0696 10.5420 10.5420 10.6402 10.6402 11.2587 11.2587 11.2620 11.2620 11.6982 11.6982 11.7102 11.7102 k = 0.5000 0.0090 0.5996 ( 3592 PWs) bands (ev): 6.6053 6.6053 6.6802 6.6802 7.6085 7.6085 7.6658 7.6658 8.4666 8.4666 8.5285 8.5285 8.6852 8.6852 8.7221 8.7221 9.0340 9.0340 9.0457 9.0457 9.1374 9.1374 9.1700 9.1700 9.7107 9.7107 9.7308 9.7308 9.7604 9.7604 9.7984 9.7984 10.0309 10.0309 10.0931 10.0931 10.5421 10.5421 10.6404 10.6404 11.2456 11.2456 11.2758 11.2758 11.6933 11.6933 11.7154 11.7154 k = 0.5000 0.0180 0.5869 ( 3592 PWs) bands (ev): 6.5677 6.5677 6.7132 6.7132 7.5814 7.5814 7.6897 7.6897 8.4346 8.4346 8.5563 8.5563 8.6716 8.6716 8.7411 8.7411 9.0322 9.0322 9.0488 9.0488 9.1251 9.1251 9.1890 9.1890 9.6847 9.6847 9.7150 9.7150 9.7756 9.7756 9.8261 9.8261 10.0026 10.0026 10.1242 10.1242 10.5431 10.5431 10.6412 10.6412 11.2320 11.2320 11.2919 11.2919 11.6858 11.6858 11.7246 11.7246 k = 0.5000 0.0271 0.5741 ( 3590 PWs) bands (ev): 6.5291 6.5291 6.7439 6.7439 7.5544 7.5544 7.7118 7.7118 8.4017 8.4017 8.5824 8.5824 8.6587 8.6587 8.7629 8.7629 9.0301 9.0301 9.0531 9.0531 9.1160 9.1160 9.2092 9.2092 9.6598 9.6598 9.6964 9.6964 9.7873 9.7873 9.8600 9.8600 9.9747 9.9747 10.1567 10.1567 10.5448 10.5448 10.6426 10.6426 11.2195 11.2195 11.3088 11.3088 11.6784 11.6784 11.7348 11.7348 k = 0.5000 0.0361 0.5613 ( 3590 PWs) bands (ev): 6.4899 6.4899 6.7713 6.7713 7.5289 7.5289 7.7314 7.7314 8.3682 8.3682 8.6065 8.6065 8.6469 8.6469 8.7871 8.7871 9.0279 9.0279 9.0581 9.0581 9.1101 9.1101 9.2300 9.2300 9.6367 9.6367 9.6765 9.6765 9.7964 9.7964 9.8970 9.8970 9.9477 9.9477 10.1902 10.1902 10.5475 10.5475 10.6445 10.6445 11.2079 11.2079 11.3262 11.3262 11.6716 11.6716 11.7455 11.7455 k = 0.5000 0.0451 0.5486 ( 3586 PWs) bands (ev): 6.4506 6.4506 6.7945 6.7945 7.5060 7.5060 7.7481 7.7481 8.3345 8.3345 8.6272 8.6272 8.6374 8.6374 8.8134 8.8134 9.0258 9.0258 9.0637 9.0637 9.1074 9.1074 9.2509 9.2509 9.6157 9.6157 9.6558 9.6558 9.8032 9.8032 9.9161 9.9161 9.9412 9.9412 10.2247 10.2247 10.5513 10.5513 10.6471 10.6471 11.1974 11.1974 11.3440 11.3440 11.6657 11.6657 11.7566 11.7566 k = 0.5000 0.0541 0.5358 ( 3586 PWs) bands (ev): 6.4113 6.4113 6.8126 6.8126 7.4870 7.4870 7.7618 7.7618 8.3008 8.3008 8.6240 8.6240 8.6509 8.6509 8.8415 8.8415 9.0240 9.0240 9.0700 9.0700 9.1074 9.1074 9.2714 9.2714 9.5970 9.5970 9.6349 9.6349 9.8079 9.8079 9.8910 9.8910 9.9813 9.9813 10.2599 10.2599 10.5566 10.5566 10.6504 10.6504 11.1879 11.1879 11.3622 11.3622 11.6606 11.6606 11.7680 11.7680 k = 0.5000 0.0631 0.5231 ( 3584 PWs) bands (ev): 6.3723 6.3723 6.8248 6.8248 7.4728 7.4728 7.7723 7.7723 8.2672 8.2672 8.6142 8.6142 8.6702 8.6702 8.8711 8.8711 9.0228 9.0228 9.0769 9.0769 9.1095 9.1095 9.2910 9.2910 9.5804 9.5804 9.6144 9.6144 9.8105 9.8105 9.8643 9.8643 10.0250 10.0250 10.2957 10.2957 10.5637 10.5637 10.6546 10.6546 11.1795 11.1795 11.3805 11.3805 11.6566 11.6566 11.7797 11.7797 k = 0.5000 0.0722 0.5103 ( 3586 PWs) bands (ev): 6.3338 6.3338 6.8303 6.8303 7.4643 7.4643 7.7798 7.7798 8.2339 8.2339 8.6047 8.6047 8.6889 8.6889 8.9015 8.9015 9.0223 9.0223 9.0845 9.0845 9.1131 9.1131 9.3094 9.3094 9.5652 9.5652 9.5955 9.5955 9.8106 9.8106 9.8385 9.8385 10.0703 10.0703 10.3316 10.3316 10.5727 10.5727 10.6599 10.6599 11.1720 11.1720 11.3988 11.3988 11.6537 11.6537 11.7917 11.7917 k = 0.5000 0.0812 0.4976 ( 3580 PWs) bands (ev): 6.2958 6.2958 6.8292 6.8292 7.4619 7.4619 7.7846 7.7846 8.2010 8.2010 8.5955 8.5955 8.7071 8.7071 8.9322 8.9322 9.0228 9.0228 9.0927 9.0927 9.1174 9.1174 9.3262 9.3262 9.5498 9.5498 9.5802 9.5802 9.8025 9.8025 9.8194 9.8194 10.1169 10.1169 10.3672 10.3672 10.5838 10.5838 10.6667 10.6667 11.1653 11.1653 11.4171 11.4171 11.6521 11.6521 11.8040 11.8040 k = 0.5000 0.0902 0.4848 ( 3582 PWs) bands (ev): 6.2586 6.2586 6.8214 6.8214 7.4655 7.4655 7.7868 7.7868 8.1688 8.1688 8.5865 8.5865 8.7249 8.7249 8.9627 8.9627 9.0244 9.0244 9.1015 9.1015 9.1220 9.1220 9.3411 9.3411 9.5323 9.5323 9.5702 9.5702 9.7797 9.7797 9.8142 9.8142 10.1645 10.1645 10.4022 10.4022 10.5969 10.5969 10.6756 10.6756 11.1596 11.1596 11.4352 11.4352 11.6521 11.6521 11.8166 11.8166 k = 0.5000 0.0992 0.4720 ( 3586 PWs) bands (ev): 6.2222 6.2222 6.8079 6.8079 7.4744 7.4744 7.7869 7.7869 8.1374 8.1374 8.5776 8.5776 8.7427 8.7427 8.9916 8.9916 9.0277 9.0277 9.1110 9.1110 9.1265 9.1265 9.3538 9.3538 9.5134 9.5134 9.5652 9.5652 9.7541 9.7541 9.8113 9.8113 10.2126 10.2126 10.4359 10.4359 10.6116 10.6116 10.6875 10.6875 11.1546 11.1546 11.4530 11.4530 11.6538 11.6538 11.8296 11.8296 k = 0.5000 0.1083 0.4593 ( 3584 PWs) bands (ev): 6.1868 6.1868 6.7895 6.7895 7.4879 7.4879 7.7851 7.7851 8.1068 8.1068 8.5689 8.5689 8.7605 8.7605 9.0148 9.0148 9.0360 9.0360 9.1212 9.1212 9.1310 9.1310 9.3644 9.3644 9.4938 9.4938 9.5635 9.5635 9.7291 9.7291 9.8083 9.8083 10.2609 10.2609 10.4680 10.4680 10.6270 10.6270 10.7037 10.7037 11.1502 11.1502 11.4704 11.4704 11.6575 11.6575 11.8428 11.8428 k = 0.5000 0.1173 0.4465 ( 3588 PWs) bands (ev): 6.1525 6.1525 6.7674 6.7674 7.5049 7.5049 7.7818 7.7818 8.0772 8.0772 8.5602 8.5602 8.7783 8.7783 9.0249 9.0249 9.0558 9.0558 9.1303 9.1303 9.1376 9.1376 9.3726 9.3726 9.4744 9.4744 9.5637 9.5637 9.7059 9.7059 9.8051 9.8051 10.3090 10.3090 10.4985 10.4985 10.6419 10.6419 10.7251 10.7251 11.1465 11.1465 11.4874 11.4874 11.6634 11.6634 11.8565 11.8565 k = 0.5000 0.1263 0.4338 ( 3594 PWs) bands (ev): 6.1194 6.1194 6.7425 6.7425 7.5244 7.5244 7.7773 7.7773 8.0487 8.0487 8.5517 8.5517 8.7963 8.7963 9.0293 9.0293 9.0785 9.0785 9.1351 9.1351 9.1502 9.1502 9.3786 9.3786 9.4555 9.4555 9.5633 9.5633 9.6861 9.6861 9.8016 9.8016 10.3566 10.3566 10.5275 10.5275 10.6560 10.6560 10.7518 10.7518 11.1434 11.1434 11.5041 11.5041 11.6717 11.6717 11.8705 11.8705 k = 0.5000 0.1353 0.4210 ( 3592 PWs) bands (ev): 6.0875 6.0875 6.7159 6.7159 7.5456 7.5456 7.7719 7.7719 8.0214 8.0214 8.5433 8.5433 8.8143 8.8143 9.0323 9.0323 9.0987 9.0987 9.1386 9.1386 9.1667 9.1667 9.3823 9.3823 9.4376 9.4376 9.5596 9.5596 9.6724 9.6724 9.7983 9.7983 10.4032 10.4032 10.5553 10.5553 10.6693 10.6693 10.7828 10.7828 11.1408 11.1408 11.5207 11.5207 11.6826 11.6826 11.8848 11.8848 k = 0.5000 0.1443 0.4082 ( 3600 PWs) bands (ev): 6.0570 6.0570 6.6883 6.6883 7.5677 7.5677 7.7659 7.7659 7.9954 7.9954 8.5350 8.5350 8.8324 8.8324 9.0345 9.0345 9.1156 9.1156 9.1420 9.1420 9.1857 9.1857 9.3835 9.3835 9.4211 9.4211 9.5500 9.5500 9.6667 9.6667 9.7952 9.7952 10.4484 10.4484 10.5824 10.5824 10.6824 10.6824 10.8166 10.8166 11.1386 11.1386 11.5373 11.5373 11.6961 11.6961 11.8990 11.8990 k = 0.5000 0.1534 0.3955 ( 3596 PWs) bands (ev): 6.0279 6.0279 6.6604 6.6604 7.5901 7.5901 7.7596 7.7596 7.9707 7.9707 8.5270 8.5270 8.8504 8.8504 9.0360 9.0360 9.1294 9.1294 9.1460 9.1460 9.2060 9.2060 9.3816 9.3816 9.4070 9.4070 9.5343 9.5343 9.6687 9.6687 9.7924 9.7924 10.4920 10.4920 10.6091 10.6091 10.6960 10.6960 10.8519 10.8519 11.1368 11.1368 11.5542 11.5542 11.7124 11.7124 11.9124 11.9124 k = 0.5000 0.1624 0.3827 ( 3600 PWs) bands (ev): 6.0004 6.0004 6.6328 6.6328 7.6123 7.6123 7.7530 7.7530 7.9474 7.9474 8.5191 8.5191 8.8682 8.8682 9.0365 9.0365 9.1407 9.1407 9.1515 9.1515 9.2262 9.2262 9.3750 9.3750 9.3974 9.3974 9.5147 9.5147 9.6760 9.6760 9.7900 9.7900 10.5335 10.5335 10.6355 10.6355 10.7102 10.7102 10.8870 10.8870 11.1355 11.1355 11.5716 11.5716 11.7311 11.7311 11.9208 11.9208 k = 0.5000 0.1714 0.3700 ( 3598 PWs) bands (ev): 5.9744 5.9744 6.6058 6.6058 7.6340 7.6340 7.7465 7.7465 7.9256 7.9256 8.5115 8.5115 8.8857 8.8857 9.0363 9.0363 9.1495 9.1495 9.1591 9.1591 9.2451 9.2451 9.3640 9.3640 9.3924 9.3924 9.4931 9.4931 9.6862 9.6862 9.7881 9.7881 10.5725 10.5725 10.6617 10.6617 10.7257 10.7257 10.9211 10.9211 11.1345 11.1345 11.5894 11.5894 11.7524 11.7524 11.9112 11.9112 k = 0.5000 0.1804 0.3572 ( 3596 PWs) bands (ev): 5.9501 5.9501 6.5798 6.5798 7.6547 7.6547 7.7401 7.7401 7.9053 7.9053 8.5043 8.5043 8.9027 8.9027 9.0353 9.0353 9.1567 9.1567 9.1685 9.1685 9.2618 9.2618 9.3517 9.3517 9.3894 9.3894 9.4711 9.4711 9.6977 9.6977 9.7867 9.7867 10.6090 10.6090 10.6873 10.6873 10.7427 10.7427 10.9529 10.9529 11.1340 11.1340 11.6069 11.6069 11.7756 11.7756 11.8801 11.8801 k = 0.5000 0.1894 0.3445 ( 3596 PWs) bands (ev): 5.9275 5.9275 6.5550 6.5550 7.6743 7.6743 7.7341 7.7341 7.8866 7.8866 8.4975 8.4975 8.9190 8.9190 9.0337 9.0337 9.1636 9.1636 9.1785 9.1785 9.2756 9.2756 9.3397 9.3397 9.3874 9.3874 9.4495 9.4495 9.7095 9.7095 9.7860 9.7860 10.6429 10.6429 10.7117 10.7117 10.7615 10.7615 10.9819 10.9819 11.1338 11.1338 11.6225 11.6225 11.7993 11.7993 11.8431 11.8431 k = 0.5000 0.1985 0.3317 ( 3596 PWs) bands (ev): 5.9067 5.9067 6.5319 6.5319 7.6922 7.6922 7.7287 7.7287 7.8695 7.8695 8.4910 8.4910 8.9345 8.9345 9.0318 9.0318 9.1707 9.1707 9.1885 9.1885 9.2858 9.2858 9.3283 9.3283 9.3857 9.3857 9.4296 9.4296 9.7209 9.7209 9.7859 9.7859 10.6741 10.6741 10.7344 10.7344 10.7823 10.7823 11.0076 11.0076 11.1341 11.1341 11.6340 11.6340 11.7982 11.7982 11.8292 11.8292 k = 0.5000 0.2075 0.3189 ( 3600 PWs) bands (ev): 5.8877 5.8877 6.5104 6.5104 7.7073 7.7073 7.7250 7.7250 7.8541 7.8541 8.4850 8.4850 8.9488 8.9488 9.0296 9.0296 9.1781 9.1781 9.1985 9.1985 9.2921 9.2921 9.3180 9.3180 9.3822 9.3822 9.4139 9.4139 9.7316 9.7316 9.7865 9.7865 10.7029 10.7029 10.7550 10.7550 10.8045 10.8045 11.0299 11.0299 11.1348 11.1348 11.6385 11.6385 11.7618 11.7618 11.8476 11.8476 k = 0.5000 0.2165 0.3062 ( 3592 PWs) bands (ev): 5.8706 5.8706 6.4909 6.4909 7.7131 7.7131 7.7294 7.7294 7.8404 7.8404 8.4795 8.4795 8.9620 8.9620 9.0275 9.0275 9.1856 9.1856 9.2084 9.2084 9.2948 9.2948 9.3090 9.3090 9.3728 9.3728 9.4066 9.4066 9.7411 9.7411 9.7878 9.7878 10.7292 10.7292 10.7739 10.7739 10.8271 10.8271 11.0485 11.0485 11.1361 11.1361 11.6351 11.6351 11.7250 11.7250 11.8669 11.8669 k = 0.5000 0.2255 0.2934 ( 3598 PWs) bands (ev): 5.8554 5.8554 6.4733 6.4733 7.7105 7.7105 7.7410 7.7410 7.8284 7.8284 8.4746 8.4746 8.9737 8.9737 9.0254 9.0254 9.1933 9.1933 9.2180 9.2180 9.2939 9.2939 9.3020 9.3020 9.3583 9.3583 9.4063 9.4063 9.7493 9.7493 9.7896 9.7896 10.7531 10.7531 10.7912 10.7912 10.8492 10.8492 11.0638 11.0638 11.1379 11.1379 11.6248 11.6248 11.6901 11.6901 11.8905 11.8905 k = 0.5000 0.2345 0.2807 ( 3594 PWs) bands (ev): 5.8421 5.8421 6.4579 6.4579 7.7070 7.7070 7.7521 7.7521 7.8182 7.8182 8.4702 8.4702 8.9839 8.9839 9.0237 9.0237 9.2010 9.2010 9.2271 9.2271 9.2894 9.2894 9.2978 9.2978 9.3429 9.3429 9.4086 9.4086 9.7562 9.7562 9.7920 9.7920 10.7746 10.7746 10.8071 10.8071 10.8697 10.8697 11.0761 11.0761 11.1403 11.1403 11.6101 11.6101 11.6580 11.6580 11.9193 11.9193 k = 0.5000 0.2436 0.2679 ( 3592 PWs) bands (ev): 5.8309 5.8309 6.4448 6.4448 7.7037 7.7037 7.7616 7.7616 7.8099 7.8099 8.4665 8.4665 8.9924 8.9924 9.0225 9.0225 9.2088 9.2088 9.2353 9.2353 9.2838 9.2838 9.2948 9.2948 9.3283 9.3283 9.4113 9.4113 9.7616 9.7616 9.7947 9.7947 10.7934 10.7934 10.8214 10.8214 10.8881 10.8881 11.0856 11.0856 11.1431 11.1431 11.5936 11.5936 11.6296 11.6296 11.9519 11.9519 k = 0.5000 0.2526 0.2552 ( 3592 PWs) bands (ev): 5.8216 5.8216 6.4339 6.4339 7.7009 7.7009 7.7688 7.7688 7.8038 7.8038 8.4634 8.4634 8.9989 8.9989 9.0219 9.0219 9.2165 9.2165 9.2424 9.2424 9.2786 9.2786 9.2920 9.2920 9.3151 9.3151 9.4138 9.4138 9.7658 9.7658 9.7973 9.7973 10.8093 10.8093 10.8336 10.8336 10.9038 10.9038 11.0927 11.0927 11.1461 11.1461 11.5768 11.5768 11.6058 11.6058 11.9872 11.9872 k = 0.5000 0.2616 0.2424 ( 3596 PWs) bands (ev): 5.8144 5.8144 6.4254 6.4254 7.6987 7.6987 7.7736 7.7736 7.7999 7.7999 8.4610 8.4610 9.0033 9.0033 9.0220 9.0220 9.2240 9.2240 9.2478 9.2478 9.2743 9.2743 9.2894 9.2894 9.3040 9.3040 9.4156 9.4156 9.7688 9.7688 9.7997 9.7997 10.8221 10.8221 10.8436 10.8436 10.9165 10.9165 11.0978 11.0978 11.1490 11.1490 11.5614 11.5614 11.5871 11.5871 12.0245 12.0245 k = 0.5000 0.2706 0.2296 ( 3592 PWs) bands (ev): 5.8092 5.8092 6.4193 6.4193 7.6970 7.6970 7.7760 7.7760 7.7982 7.7982 8.4592 8.4592 9.0060 9.0060 9.0227 9.0227 9.2315 9.2315 9.2505 9.2505 9.2712 9.2712 9.2874 9.2874 9.2953 9.2953 9.4169 9.4169 9.7710 9.7710 9.8016 9.8016 10.8316 10.8316 10.8510 10.8510 10.9258 10.9258 11.1013 11.1013 11.1515 11.1515 11.5490 11.5490 11.5737 11.5737 12.0627 12.0627 k = 0.5000 0.2797 0.2169 ( 3598 PWs) bands (ev): 5.8061 5.8061 6.4156 6.4156 7.6961 7.6961 7.7767 7.7767 7.7980 7.7980 8.4582 8.4582 9.0072 9.0072 9.0234 9.0234 9.2387 9.2387 9.2494 9.2494 9.2699 9.2699 9.2858 9.2858 9.2899 9.2899 9.4176 9.4176 9.7722 9.7722 9.8028 9.8028 10.8373 10.8373 10.8556 10.8556 10.9315 10.9315 11.1033 11.1033 11.1531 11.1531 11.5409 11.5409 11.5657 11.5657 12.0997 12.0997 k = 0.5000 0.2887 0.2041 ( 3600 PWs) bands (ev): 5.8051 5.8051 6.4144 6.4144 7.6957 7.6957 7.7768 7.7768 7.7980 7.7980 8.4578 8.4578 9.0075 9.0075 9.0238 9.0238 9.2449 9.2449 9.2450 9.2450 9.2697 9.2697 9.2852 9.2852 9.2882 9.2882 9.4178 9.4178 9.7726 9.7726 9.8032 9.8032 10.8392 10.8392 10.8571 10.8571 10.9334 10.9334 11.1039 11.1039 11.1537 11.1537 11.5381 11.5381 11.5630 11.5630 12.1190 12.1191 k = 0.5000 0.2887 0.2041 ( 3600 PWs) bands (ev): 5.8051 5.8051 6.4144 6.4144 7.6957 7.6957 7.7768 7.7768 7.7980 7.7980 8.4578 8.4578 9.0075 9.0075 9.0238 9.0238 9.2449 9.2449 9.2450 9.2450 9.2697 9.2697 9.2852 9.2852 9.2882 9.2882 9.4178 9.4178 9.7726 9.7726 9.8032 9.8032 10.8392 10.8392 10.8571 10.8571 10.9334 10.9334 11.1039 11.1039 11.1537 11.1537 11.5381 11.5381 11.5630 11.5630 12.1189 12.1192 k = 0.4955 0.2861 0.2187 ( 3596 PWs) bands (ev): 5.8061 5.8061 6.4156 6.4156 7.6961 7.6961 7.7767 7.7767 7.7980 7.7980 8.4581 8.4581 9.0072 9.0072 9.0235 9.0235 9.2387 9.2387 9.2494 9.2494 9.2699 9.2699 9.2859 9.2859 9.2899 9.2899 9.4176 9.4176 9.7722 9.7722 9.8028 9.8028 10.8374 10.8374 10.8556 10.8556 10.9315 10.9315 11.1033 11.1033 11.1531 11.1531 11.5409 11.5409 11.5656 11.5656 12.1001 12.1001 k = 0.4911 0.2835 0.2333 ( 3595 PWs) bands (ev): 5.8091 5.8091 6.4192 6.4192 7.6970 7.6970 7.7760 7.7760 7.7982 7.7982 8.4592 8.4592 9.0060 9.0060 9.0227 9.0227 9.2316 9.2316 9.2509 9.2509 9.2705 9.2705 9.2881 9.2881 9.2948 9.2948 9.4169 9.4169 9.7710 9.7710 9.8016 9.8016 10.8317 10.8317 10.8512 10.8512 10.9260 10.9260 11.1013 11.1013 11.1515 11.1515 11.5488 11.5488 11.5735 11.5735 12.0635 12.0635 k = 0.4866 0.2809 0.2479 ( 3597 PWs) bands (ev): 5.8142 5.8142 6.4251 6.4251 7.6986 7.6986 7.7737 7.7737 7.7998 7.7998 8.4609 8.4609 9.0035 9.0035 9.0220 9.0220 9.2237 9.2237 9.2500 9.2500 9.2705 9.2705 9.2932 9.2932 9.3020 9.3020 9.4157 9.4157 9.7689 9.7689 9.7997 9.7997 10.8225 10.8225 10.8439 10.8439 10.9168 10.9168 11.0980 11.0980 11.1491 11.1491 11.5611 11.5611 11.5865 11.5865 12.0257 12.0257 k = 0.4821 0.2784 0.2624 ( 3595 PWs) bands (ev): 5.8213 5.8213 6.4335 6.4335 7.7008 7.7008 7.7691 7.7691 7.8035 7.8035 8.4633 8.4633 8.9991 8.9991 9.0218 9.0218 9.2151 9.2151 9.2482 9.2482 9.2693 9.2693 9.3005 9.3005 9.3112 9.3112 9.4138 9.4138 9.7659 9.7659 9.7974 9.7974 10.8100 10.8100 10.8340 10.8340 10.9044 10.9044 11.0930 11.0930 11.1462 11.1462 11.5766 11.5766 11.6045 11.6045 11.9887 11.9887 k = 0.4777 0.2758 0.2770 ( 3597 PWs) bands (ev): 5.8303 5.8303 6.4441 6.4441 7.7035 7.7035 7.7622 7.7622 7.8094 7.8094 8.4663 8.4663 8.9929 8.9929 9.0223 9.0223 9.2056 9.2056 9.2464 9.2464 9.2676 9.2676 9.3087 9.3087 9.3223 9.3223 9.4114 9.4114 9.7619 9.7619 9.7947 9.7947 10.7947 10.7947 10.8217 10.8217 10.8889 10.8889 11.0860 11.0860 11.1432 11.1432 11.5940 11.5940 11.6270 11.6270 11.9536 11.9536 k = 0.4732 0.2732 0.2916 ( 3597 PWs) bands (ev): 5.8414 5.8414 6.4571 6.4571 7.7067 7.7067 7.7531 7.7531 7.8173 7.8173 8.4700 8.4700 8.9849 8.9849 9.0233 9.0233 9.1948 9.1948 9.2451 9.2451 9.2659 9.2659 9.3170 9.3170 9.3348 9.3348 9.4086 9.4086 9.7567 9.7567 9.7921 9.7921 10.7769 10.7769 10.8073 10.8073 10.8707 10.8707 11.0768 11.0768 11.1403 11.1403 11.6122 11.6122 11.6531 11.6531 11.9211 11.9211 k = 0.4688 0.2706 0.3062 ( 3595 PWs) bands (ev): 5.8544 5.8544 6.4722 6.4722 7.7101 7.7101 7.7425 7.7425 7.8270 7.8270 8.4742 8.4742 8.9754 8.9754 9.0248 9.0248 9.1831 9.1831 9.2445 9.2445 9.2644 9.2644 9.3251 9.3251 9.3478 9.3478 9.4062 9.4062 9.7502 9.7502 9.7897 9.7897 10.7570 10.7570 10.7909 10.7909 10.8501 10.8501 11.0649 11.0649 11.1378 11.1378 11.6297 11.6297 11.6815 11.6815 11.8922 11.8923 k = 0.4643 0.2681 0.3208 ( 3588 PWs) bands (ev): 5.8693 5.8693 6.4894 6.4894 7.7125 7.7125 7.7315 7.7315 7.8384 7.8384 8.4790 8.4790 8.9645 8.9645 9.0264 9.0264 9.1704 9.1704 9.2446 9.2446 9.2632 9.2632 9.3327 9.3327 9.3590 9.3590 9.4061 9.4061 9.7424 9.7424 9.7879 9.7879 10.7355 10.7355 10.7727 10.7727 10.8276 10.8276 11.0502 11.0502 11.1357 11.1357 11.6444 11.6444 11.7102 11.7102 11.8686 11.8686 k = 0.4598 0.2655 0.3353 ( 3596 PWs) bands (ev): 5.8860 5.8860 6.5086 6.5086 7.7082 7.7082 7.7261 7.7261 7.8514 7.8514 8.4842 8.4842 8.9526 8.9526 9.0281 9.0281 9.1570 9.1570 9.2454 9.2454 9.2619 9.2619 9.3396 9.3396 9.3650 9.3650 9.4118 9.4118 9.7332 9.7332 9.7868 9.7868 10.7126 10.7126 10.7527 10.7527 10.8039 10.8039 11.0323 11.0323 11.1341 11.1341 11.6534 11.6534 11.7352 11.7352 11.8527 11.8527 k = 0.4554 0.2629 0.3499 ( 3600 PWs) bands (ev): 5.9046 5.9046 6.5297 6.5297 7.6945 7.6945 7.7288 7.7288 7.8659 7.8659 8.4898 8.4898 8.9398 8.9398 9.0296 9.0296 9.1430 9.1430 9.2470 9.2470 9.2602 9.2602 9.3449 9.3449 9.3657 9.3657 9.4244 9.4244 9.7228 9.7228 9.7867 9.7867 10.6886 10.6886 10.7304 10.7304 10.7799 10.7799 11.0112 11.0112 11.1329 11.1329 11.6543 11.6543 11.7491 11.7491 11.8485 11.8485 k = 0.4509 0.2603 0.3645 ( 3588 PWs) bands (ev): 5.9249 5.9249 6.5525 6.5525 7.6775 7.6775 7.7339 7.7339 7.8820 7.8820 8.4957 8.4957 8.9267 8.9267 9.0309 9.0309 9.1288 9.1288 9.2492 9.2492 9.2576 9.2576 9.3471 9.3471 9.3654 9.3654 9.4412 9.4412 9.7113 9.7113 9.7877 9.7877 10.6638 10.6638 10.7054 10.7054 10.7567 10.7567 10.9869 10.9869 11.1321 11.1321 11.6462 11.6462 11.7459 11.7459 11.8581 11.8581 k = 0.4464 0.2577 0.3791 ( 3595 PWs) bands (ev): 5.9470 5.9470 6.5769 6.5769 7.6586 7.6586 7.7396 7.7396 7.8994 7.8994 8.5017 8.5017 8.9133 8.9133 9.0318 9.0318 9.1145 9.1145 9.2498 9.2498 9.2551 9.2551 9.3453 9.3453 9.3675 9.3675 9.4598 9.4598 9.6989 9.6989 9.7899 9.7899 10.6380 10.6380 10.6775 10.6775 10.7351 10.7351 10.9596 10.9596 11.1315 11.1315 11.6312 11.6312 11.7312 11.7312 11.8762 11.8762 k = 0.4420 0.2552 0.3937 ( 3601 PWs) bands (ev): 5.9706 5.9706 6.6027 6.6027 7.6383 7.6383 7.7458 7.7458 7.9183 7.9183 8.5077 8.5077 8.9001 8.9001 9.0320 9.0320 9.1003 9.1003 9.2431 9.2431 9.2577 9.2577 9.3420 9.3420 9.3710 9.3710 9.4793 9.4793 9.6858 9.6858 9.7934 9.7934 10.6110 10.6110 10.6472 10.6472 10.7156 10.7156 10.9296 10.9296 11.1311 11.1311 11.6117 11.6117 11.7133 11.7133 11.8972 11.8972 k = 0.4375 0.2526 0.4082 ( 3593 PWs) bands (ev): 5.9959 5.9959 6.6295 6.6295 7.6168 7.6168 7.7522 7.7522 7.9386 7.9386 8.5136 8.5136 8.8875 8.8875 9.0315 9.0315 9.0865 9.0865 9.2321 9.2321 9.2622 9.2622 9.3392 9.3392 9.3747 9.3747 9.4988 9.4988 9.6724 9.6724 9.7985 9.7985 10.5822 10.5822 10.6161 10.6161 10.6981 10.6981 10.8976 10.8976 11.1309 11.1309 11.5900 11.5900 11.6961 11.6961 11.9137 11.9137 k = 0.4330 0.2500 0.4228 ( 3595 PWs) bands (ev): 6.0225 6.0225 6.6572 6.6572 7.5942 7.5942 7.7588 7.7588 7.9603 7.9603 8.5190 8.5190 8.8759 8.8759 9.0298 9.0298 9.0731 9.0731 9.2179 9.2179 9.2675 9.2675 9.3374 9.3374 9.3779 9.3779 9.5175 9.5175 9.6593 9.6593 9.8049 9.8049 10.5503 10.5503 10.5858 10.5858 10.6823 10.6823 10.8640 10.8640 11.1308 11.1308 11.5671 11.5671 11.6810 11.6810 11.9106 11.9106 k = 0.4286 0.2474 0.4374 ( 3593 PWs) bands (ev): 6.0506 6.0506 6.6853 6.6853 7.5709 7.5709 7.7655 7.7655 7.9832 7.9832 8.5238 8.5238 8.8656 8.8656 9.0268 9.0268 9.0603 9.0603 9.2011 9.2011 9.2734 9.2734 9.3362 9.3362 9.3805 9.3805 9.5344 9.5344 9.6474 9.6474 9.8128 9.8128 10.5147 10.5147 10.5576 10.5576 10.6682 10.6682 10.8299 10.8299 11.1307 11.1307 11.5437 11.5437 11.6682 11.6682 11.8976 11.8976 k = 0.4241 0.2449 0.4520 ( 3589 PWs) bands (ev): 6.0798 6.0798 6.7133 6.7133 7.5471 7.5471 7.7722 7.7722 8.0072 8.0072 8.5277 8.5277 8.8572 8.8572 9.0220 9.0220 9.0485 9.0485 9.1824 9.1824 9.2798 9.2798 9.3353 9.3353 9.3826 9.3826 9.5477 9.5477 9.6387 9.6387 9.8221 9.8221 10.4761 10.4761 10.5312 10.5312 10.6556 10.6556 10.7961 10.7961 11.1307 11.1307 11.5204 11.5204 11.6579 11.6579 11.8828 11.8828 k = 0.4196 0.2423 0.4666 ( 3588 PWs) bands (ev): 6.1101 6.1101 6.7407 6.7407 7.5233 7.5233 7.7787 7.7787 8.0325 8.0325 8.5305 8.5305 8.8509 8.8509 9.0151 9.0151 9.0380 9.0380 9.1625 9.1625 9.2867 9.2867 9.3339 9.3339 9.3841 9.3841 9.5550 9.5550 9.6355 9.6355 9.8328 9.8328 10.4353 10.4353 10.5059 10.5059 10.6445 10.6445 10.7637 10.7637 11.1306 11.1306 11.4972 11.4972 11.6497 11.6497 11.8675 11.8675 k = 0.4152 0.2397 0.4811 ( 3592 PWs) bands (ev): 6.1414 6.1414 6.7666 6.7666 7.5001 7.5001 7.7851 7.7851 8.0588 8.0588 8.5321 8.5321 8.8468 8.8468 9.0060 9.0060 9.0285 9.0285 9.1422 9.1422 9.2939 9.2939 9.3317 9.3317 9.3853 9.3853 9.5546 9.5546 9.6395 9.6395 9.8446 9.8446 10.3931 10.3931 10.4809 10.4809 10.6348 10.6348 10.7339 10.7339 11.1303 11.1303 11.4744 11.4744 11.6433 11.6433 11.8521 11.8521 k = 0.4107 0.2371 0.4957 ( 3586 PWs) bands (ev): 6.1733 6.1733 6.7902 6.7902 7.4784 7.4784 7.7911 7.7911 8.0861 8.0861 8.5325 8.5325 8.8451 8.8451 8.9953 8.9953 9.0196 9.0196 9.1221 9.1221 9.3012 9.3012 9.3286 9.3286 9.3861 9.3861 9.5484 9.5484 9.6490 9.6490 9.8576 9.8576 10.3499 10.3499 10.4558 10.4558 10.6263 10.6263 10.7080 10.7080 11.1301 11.1301 11.4521 11.4521 11.6385 11.6385 11.8365 11.8365 k = 0.4062 0.2345 0.5103 ( 3574 PWs) bands (ev): 6.2057 6.2057 6.8102 6.8102 7.4592 7.4592 7.7968 7.7968 8.1143 8.1143 8.5318 8.5318 8.8454 8.8454 8.9840 8.9840 9.0105 9.0105 9.1028 9.1028 9.3083 9.3083 9.3246 9.3246 9.3867 9.3867 9.5391 9.5391 9.6611 9.6611 9.8716 9.8716 10.3062 10.3062 10.4301 10.4301 10.6189 10.6189 10.6869 10.6869 11.1295 11.1295 11.4305 11.4305 11.6350 11.6350 11.8209 11.8209 k = 0.4018 0.2320 0.5249 ( 3573 PWs) bands (ev): 6.2383 6.2383 6.8253 6.8253 7.4437 7.4437 7.8019 7.8019 8.1432 8.1432 8.5301 8.5301 8.8472 8.8472 8.9728 8.9728 9.0009 9.0009 9.0847 9.0847 9.3133 9.3133 9.3216 9.3216 9.3871 9.3871 9.5286 9.5286 9.6737 9.6737 9.8864 9.8864 10.2622 10.2622 10.4037 10.4037 10.6124 10.6124 10.6716 10.6716 11.1286 11.1286 11.4096 11.4096 11.6323 11.6323 11.8049 11.8049 k = 0.3973 0.2294 0.5395 ( 3571 PWs) bands (ev): 6.2707 6.2707 6.8343 6.8343 7.4332 7.4332 7.8064 7.8064 8.1727 8.1727 8.5280 8.5280 8.8495 8.8495 8.9628 8.9628 8.9906 8.9906 9.0679 9.0679 9.3106 9.3106 9.3254 9.3254 9.3874 9.3874 9.5174 9.5174 9.6857 9.6857 9.9019 9.9019 10.2182 10.2182 10.3766 10.3766 10.6072 10.6072 10.6620 10.6620 11.1273 11.1273 11.3897 11.3897 11.6302 11.6302 11.7887 11.7887 k = 0.3929 0.2268 0.5541 ( 3571 PWs) bands (ev): 6.3023 6.3023 6.8360 6.8360 7.4291 7.4291 7.8103 7.8103 8.2027 8.2027 8.5258 8.5258 8.8506 8.8506 8.9557 8.9557 8.9799 8.9799 9.0524 9.0524 9.3049 9.3049 9.3315 9.3315 9.3879 9.3879 9.5059 9.5059 9.6966 9.6966 9.9180 9.9180 10.1744 10.1744 10.3492 10.3492 10.6039 10.6039 10.6575 10.6575 11.1256 11.1256 11.3708 11.3708 11.6284 11.6284 11.7719 11.7719 k = 0.3884 0.2242 0.5686 ( 3576 PWs) bands (ev): 6.3325 6.3325 6.8300 6.8300 7.4319 7.4319 7.8135 7.8135 8.2329 8.2329 8.5241 8.5241 8.8487 8.8487 8.9532 8.9532 8.9689 8.9689 9.0380 9.0380 9.2995 9.2995 9.3372 9.3372 9.3885 9.3885 9.4940 9.4940 9.7058 9.7058 9.9343 9.9343 10.1314 10.1314 10.3222 10.3222 10.6034 10.6034 10.6570 10.6570 11.1231 11.1231 11.3533 11.3533 11.6265 11.6265 11.7547 11.7547 k = 0.3839 0.2217 0.5832 ( 3578 PWs) bands (ev): 6.3601 6.3601 6.8170 6.8170 7.4416 7.4416 7.8160 7.8160 8.2630 8.2630 8.5233 8.5233 8.8427 8.8427 8.9537 8.9537 8.9605 8.9605 9.0244 9.0244 9.2952 9.2952 9.3418 9.3418 9.3895 9.3895 9.4816 9.4816 9.7128 9.7128 9.9501 9.9501 10.0899 10.0899 10.2964 10.2964 10.6058 10.6058 10.6599 10.6599 11.1198 11.1198 11.3373 11.3373 11.6244 11.6244 11.7370 11.7370 k = 0.3795 0.2191 0.5978 ( 3572 PWs) bands (ev): 6.3837 6.3837 6.7988 6.7988 7.4577 7.4577 7.8181 7.8181 8.2929 8.2929 8.5239 8.5239 8.8334 8.8334 8.9451 8.9451 8.9662 8.9662 9.0118 9.0118 9.2928 9.2928 9.3451 9.3451 9.3910 9.3910 9.4689 9.4689 9.7171 9.7171 9.9632 9.9632 10.0523 10.0523 10.2726 10.2726 10.6113 10.6113 10.6656 10.6656 11.1156 11.1156 11.3230 11.3230 11.6216 11.6216 11.7188 11.7188 k = 0.3750 0.2165 0.6124 ( 3580 PWs) bands (ev): 6.4009 6.4009 6.7784 6.7784 7.4788 7.4788 7.8200 7.8200 8.3221 8.3221 8.5261 8.5261 8.8221 8.8221 8.9348 8.9348 8.9745 8.9745 9.0029 9.0029 9.2926 9.2926 9.3467 9.3467 9.3927 9.3927 9.4560 9.4560 9.7182 9.7182 9.9645 9.9645 10.0279 10.0279 10.2517 10.2517 10.6196 10.6196 10.6735 10.6735 11.1103 11.1103 11.3107 11.3107 11.6177 11.6177 11.7005 11.7005 k = 0.6250-0.0722 0.4082 ( 3580 PWs) bands (ev): 6.4009 6.4009 6.7784 6.7784 7.4788 7.4788 7.8200 7.8200 8.3221 8.3221 8.5261 8.5261 8.8221 8.8221 8.9348 8.9348 8.9745 8.9745 9.0029 9.0029 9.2926 9.2926 9.3467 9.3467 9.3927 9.3927 9.4560 9.4560 9.7182 9.7182 9.9645 9.9645 10.0279 10.0279 10.2517 10.2517 10.6196 10.6196 10.6735 10.6735 11.1103 11.1103 11.3107 11.3107 11.6177 11.6177 11.7005 11.7005 k = 0.6172-0.0857 0.4082 ( 3576 PWs) bands (ev): 6.4210 6.4210 6.7437 6.7437 7.5205 7.5205 7.8242 7.8242 8.3728 8.3728 8.5316 8.5316 8.8022 8.8022 8.9179 8.9179 8.9822 8.9822 8.9963 8.9963 9.2947 9.2947 9.3476 9.3476 9.3954 9.3954 9.4346 9.4346 9.7155 9.7155 9.9450 9.9450 10.0086 10.0086 10.2186 10.2186 10.6372 10.6372 10.6902 10.6902 11.0999 11.0999 11.2910 11.2910 11.6084 11.6084 11.6685 11.6685 k = 0.6094-0.0992 0.4082 ( 3582 PWs) bands (ev): 6.4365 6.4365 6.7105 6.7105 7.5639 7.5639 7.8296 7.8296 8.4244 8.4244 8.5379 8.5379 8.7834 8.7834 8.9022 8.9022 8.9830 8.9830 8.9948 8.9948 9.2970 9.2970 9.3471 9.3471 9.3965 9.3965 9.4162 9.4162 9.7104 9.7104 9.9237 9.9237 9.9915 9.9915 10.1864 10.1864 10.6565 10.6565 10.7085 10.7085 11.0893 11.0893 11.2712 11.2712 11.5971 11.5971 11.6368 11.6368 k = 0.6016-0.1128 0.4082 ( 3594 PWs) bands (ev): 6.4482 6.4482 6.6791 6.6791 7.6078 7.6078 7.8362 7.8362 8.4767 8.4767 8.5452 8.5452 8.7658 8.7658 8.8877 8.8877 8.9739 8.9739 9.0008 9.0008 9.2996 9.2996 9.3455 9.3455 9.3946 9.3946 9.4028 9.4028 9.7031 9.7031 9.9006 9.9006 9.9766 9.9766 10.1551 10.1551 10.6770 10.6770 10.7284 10.7284 11.0787 11.0787 11.2514 11.2514 11.5839 11.5839 11.6059 11.6059 k = 0.5938-0.1263 0.4082 ( 3588 PWs) bands (ev): 6.4568 6.4568 6.6495 6.6495 7.6513 7.6513 7.8439 7.8439 8.5289 8.5289 8.5540 8.5540 8.7497 8.7497 8.8744 8.8744 8.9617 8.9617 9.0072 9.0072 9.3025 9.3025 9.3432 9.3432 9.3860 9.3860 9.3984 9.3984 9.6941 9.6941 9.8757 9.8757 9.9638 9.9638 10.1251 10.1251 10.6987 10.6987 10.7497 10.7497 11.0683 11.0683 11.2316 11.2316 11.5685 11.5685 11.5767 11.5767 k = 0.5859-0.1398 0.4082 ( 3572 PWs) bands (ev): 6.4628 6.4628 6.6219 6.6219 7.6934 7.6934 7.8525 7.8525 8.5612 8.5612 8.5841 8.5841 8.7349 8.7349 8.8622 8.8622 8.9473 8.9473 9.0129 9.0129 9.3059 9.3059 9.3407 9.3407 9.3774 9.3774 9.3962 9.3962 9.6837 9.6837 9.8491 9.8491 9.9532 9.9532 10.0964 10.0964 10.7211 10.7211 10.7723 10.7723 11.0581 11.0581 11.2119 11.2119 11.5458 11.5458 11.5549 11.5549 k = 0.5781-0.1534 0.4082 ( 3572 PWs) bands (ev): 6.4669 6.4669 6.5964 6.5964 7.7333 7.7333 7.8617 7.8617 8.5721 8.5721 8.6364 8.6364 8.7215 8.7215 8.8512 8.8512 8.9311 8.9311 9.0175 9.0175 9.3099 9.3099 9.3383 9.3383 9.3708 9.3708 9.3936 9.3936 9.6721 9.6721 9.8207 9.8207 9.9444 9.9444 10.0691 10.0691 10.7441 10.7441 10.7960 10.7960 11.0483 11.0483 11.1921 11.1921 11.5194 11.5194 11.5370 11.5370 k = 0.5703-0.1669 0.4082 ( 3564 PWs) bands (ev): 6.4695 6.4695 6.5730 6.5730 7.7703 7.7703 7.8714 7.8714 8.5832 8.5832 8.6877 8.6877 8.7107 8.7107 8.8414 8.8414 8.9136 8.9136 9.0210 9.0210 9.3147 9.3147 9.3365 9.3365 9.3663 9.3663 9.3904 9.3904 9.6596 9.6596 9.7908 9.7908 9.9372 9.9372 10.0434 10.0434 10.7673 10.7673 10.8204 10.8204 11.0390 11.0390 11.1725 11.1725 11.4944 11.4944 11.5185 11.5185 k = 0.5625-0.1804 0.4082 ( 3572 PWs) bands (ev): 6.4709 6.4709 6.5519 6.5519 7.8039 7.8039 7.8813 7.8813 8.5948 8.5948 8.6972 8.6972 8.7422 8.7422 8.8327 8.8327 8.8954 8.8954 9.0233 9.0233 9.3204 9.3204 9.3353 9.3353 9.3635 9.3635 9.3868 9.3868 9.6465 9.6465 9.7597 9.7597 9.9315 9.9315 10.0194 10.0194 10.7906 10.7906 10.8452 10.8452 11.0304 11.0304 11.1527 11.1527 11.4714 11.4714 11.4992 11.4992 k = 0.5547-0.1940 0.4082 ( 3572 PWs) bands (ev): 6.4716 6.4716 6.5330 6.5330 7.8339 7.8339 7.8912 7.8912 8.6065 8.6065 8.6883 8.6883 8.7916 8.7916 8.8258 8.8258 8.8770 8.8770 9.0244 9.0244 9.3269 9.3269 9.3344 9.3344 9.3624 9.3624 9.3829 9.3829 9.6331 9.6331 9.7280 9.7280 9.9272 9.9272 9.9974 9.9974 10.8140 10.8140 10.8699 10.8699 11.0227 11.0227 11.1331 11.1331 11.4508 11.4508 11.4794 11.4794 k = 0.5469-0.2075 0.4082 ( 3564 PWs) bands (ev): 6.4717 6.4717 6.5166 6.5166 7.8599 7.8599 7.9006 7.9006 8.6181 8.6181 8.6805 8.6805 8.8165 8.8165 8.8428 8.8428 8.8593 8.8593 9.0246 9.0246 9.3324 9.3324 9.3354 9.3354 9.3630 9.3630 9.3787 9.3787 9.6196 9.6196 9.6961 9.6961 9.9239 9.9239 9.9777 9.9777 10.8371 10.8371 10.8940 10.8940 11.0160 11.0160 11.1135 11.1135 11.4325 11.4325 11.4595 11.4595 k = 0.5391-0.2210 0.4082 ( 3560 PWs) bands (ev): 6.4715 6.4715 6.5026 6.5026 7.8819 7.8819 7.9094 7.9094 8.6290 8.6290 8.6739 8.6739 8.8120 8.8120 8.8428 8.8428 8.8875 8.8875 9.0239 9.0239 9.3325 9.3325 9.3427 9.3427 9.3647 9.3647 9.3745 9.3745 9.6064 9.6064 9.6651 9.6651 9.9214 9.9214 9.9602 9.9602 10.8599 10.8599 10.9166 10.9166 11.0103 11.0103 11.0940 11.0940 11.4168 11.4168 11.4401 11.4401 k = 0.5312-0.2345 0.4082 ( 3564 PWs) bands (ev): 6.4712 6.4712 6.4911 6.4911 7.8998 7.8998 7.9171 7.9171 8.6388 8.6388 8.6686 8.6686 8.8077 8.8077 8.8283 8.8283 8.9286 8.9286 9.0226 9.0226 9.3324 9.3324 9.3502 9.3502 9.3665 9.3665 9.3710 9.3710 9.5939 9.5939 9.6360 9.6360 9.9196 9.9196 9.9455 9.9455 10.8822 10.8822 10.9364 10.9364 11.0063 11.0063 11.0749 11.0749 11.4039 11.4039 11.4219 11.4219 k = 0.5234-0.2481 0.4082 ( 3566 PWs) bands (ev): 6.4708 6.4708 6.4821 6.4821 7.9136 7.9136 7.9235 7.9235 8.6470 8.6470 8.6646 8.6646 8.8043 8.8043 8.8164 8.8164 8.9642 8.9642 9.0211 9.0211 9.3331 9.3331 9.3550 9.3550 9.3667 9.3667 9.3710 9.3710 9.5830 9.5830 9.6104 9.6104 9.9184 9.9184 9.9336 9.9336 10.9037 10.9037 10.9519 10.9519 11.0044 11.0044 11.0564 11.0564 11.3937 11.3937 11.4060 11.4060 k = 0.5156-0.2616 0.4082 ( 3572 PWs) bands (ev): 6.4704 6.4704 6.4756 6.4756 7.9234 7.9234 7.9283 7.9283 8.6531 8.6531 8.6617 8.6617 8.8018 8.8018 8.8074 8.8074 8.9920 8.9920 9.0197 9.0197 9.3350 9.3350 9.3534 9.3534 9.3695 9.3695 9.3728 9.3728 9.5744 9.5744 9.5899 9.5899 9.9177 9.9177 9.9249 9.9249 10.9238 10.9238 10.9610 10.9610 11.0054 11.0054 11.0392 11.0392 11.3864 11.3864 11.3934 11.3934 k = 0.5078-0.2751 0.4082 ( 3572 PWs) bands (ev): 6.4702 6.4702 6.4718 6.4718 7.9294 7.9294 7.9312 7.9312 8.6571 8.6571 8.6600 8.6600 8.8003 8.8003 8.8019 8.8019 9.0100 9.0100 9.0186 9.0186 9.3383 9.3383 9.3484 9.3484 9.3731 9.3731 9.3742 9.3742 9.5694 9.5694 9.5760 9.5760 9.9173 9.9173 9.9196 9.9196 10.9416 10.9416 10.9621 10.9621 11.0091 11.0091 11.0250 11.0250 11.3822 11.3822 11.3850 11.3850 k = 0.5000-0.2887 0.4082 ( 3572 PWs) bands (ev): 6.4703 6.4703 6.4703 6.4703 7.9318 7.9318 7.9318 7.9318 8.6589 8.6589 8.6589 8.6589 8.7999 8.7999 8.7999 8.7999 9.0173 9.0173 9.0173 9.0173 9.3430 9.3430 9.3430 9.3430 9.3746 9.3746 9.3746 9.3746 9.5694 9.5694 9.5694 9.5694 9.9175 9.9175 9.9175 9.9175 10.9552 10.9552 10.9552 10.9552 11.0152 11.0152 11.0152 11.0152 11.3815 11.3815 11.3815 11.3815 Writing output data file ZrFe2.save init_run : 0.13s CPU 0.26s WALL ( 1 calls) electrons : 226.53s CPU 230.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 226.52s CPU 230.01s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 301 calls) cegterg : 205.59s CPU 208.28s WALL ( 656 calls) Called by sum_band: Called by *egterg: h_psi : 132.46s CPU 134.37s WALL ( 11273 calls) s_psi : 7.56s CPU 7.54s WALL ( 11273 calls) g_psi : 0.23s CPU 0.26s WALL ( 10316 calls) cdiaghg : 65.09s CPU 66.33s WALL ( 10617 calls) cegterg:over : 6.64s CPU 6.54s WALL ( 10316 calls) cegterg:upda : 5.22s CPU 5.14s WALL ( 10316 calls) cegterg:last : 3.10s CPU 3.20s WALL ( 1830 calls) cdiaghg:chol : 3.36s CPU 3.62s WALL ( 10617 calls) cdiaghg:inve : 2.48s CPU 2.44s WALL ( 10617 calls) cdiaghg:para : 3.68s CPU 3.76s WALL ( 21234 calls) Called by h_psi: h_psi:vloc : 114.64s CPU 116.27s WALL ( 11273 calls) h_psi:vnl : 17.63s CPU 17.86s WALL ( 11273 calls) add_vuspsi : 9.11s CPU 9.26s WALL ( 11273 calls) General routines calbec : 8.48s CPU 8.57s WALL ( 11273 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 108.53s CPU 110.13s WALL ( 1090672 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.40s WALL ( 602 calls) Parallel routines fft_scatter : 34.02s CPU 34.74s WALL ( 1090695 calls) PWSCF : 3m58.87s CPU 4m11.20s WALL This run was terminated on: 18:19:38 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=