Program PWSCF v.5.1.1 starts on 23Jun2015 at 7:10:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdTe.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 68 16 4 5186 590 92 Max 70 17 5 5191 613 101 Sum 3283 769 235 248999 28903 4633 bravais-lattice index = 14 lattice parameter (alat) = 8.6360 a.u. unit-cell volume = 912.9797 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.636048 celldm(2)= 1.000000 celldm(3)= 1.636761 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.636761 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.610963 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Cd 12.00 112.41100 Cd( 1.00) Te 6.00 127.60000 Te( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8183807 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8183807 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8183807 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8183807 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8183807 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8183807 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0034483 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0034483 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0034483 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0034483 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0034483 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0034483 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0034483 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0034483 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0034483 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0034483 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0034483 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0034483 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0034483 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0034483 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0034483 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0034483 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0034483 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0034483 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0034483 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034483 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0034483 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0034483 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0034483 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0034483 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0034483 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0034483 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0034483 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0034483 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0034483 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0034483 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0034483 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0034483 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0034483 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0034483 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0034483 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0034483 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0034483 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0034483 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0034483 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0034483 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0034483 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0034483 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0034483 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0034483 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0034483 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0034483 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0034483 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0034483 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0034483 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0034483 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0034483 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0034483 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0034483 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0034483 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0034483 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0034483 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0034483 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0034483 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0034483 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0034483 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0034483 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0034483 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0034483 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0034483 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0034483 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0034483 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0034483 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0034483 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0034483 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0034483 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0034483 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0034483 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0034483 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0034483 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0034483 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0034483 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0034483 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0034483 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0034483 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0034483 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0034483 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0034483 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0034483 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034483 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0034483 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0034483 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0034483 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0034483 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0034483 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0034483 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0034483 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0034483 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0034483 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0034483 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0034483 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0034483 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0034483 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0034483 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0034483 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0034483 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0034483 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0034483 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0034483 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0034483 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0034483 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0034483 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 114) = ( 0.0000000 0.0000000 0.0145467), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.0290935), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.0436402), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0581869), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.0727336), wk = 0.0034483 k( 119) = ( 0.0000000 0.0000000 0.0872804), wk = 0.0034483 k( 120) = ( 0.0000000 0.0000000 0.1018271), wk = 0.0034483 k( 121) = ( 0.0000000 0.0000000 0.1163738), wk = 0.0034483 k( 122) = ( 0.0000000 0.0000000 0.1309205), wk = 0.0034483 k( 123) = ( 0.0000000 0.0000000 0.1454673), wk = 0.0034483 k( 124) = ( 0.0000000 0.0000000 0.1600140), wk = 0.0034483 k( 125) = ( 0.0000000 0.0000000 0.1745607), wk = 0.0034483 k( 126) = ( 0.0000000 0.0000000 0.1891075), wk = 0.0034483 k( 127) = ( 0.0000000 0.0000000 0.2036542), wk = 0.0034483 k( 128) = ( 0.0000000 0.0000000 0.2182009), wk = 0.0034483 k( 129) = ( 0.0000000 0.0000000 0.2327476), wk = 0.0034483 k( 130) = ( 0.0000000 0.0000000 0.2472944), wk = 0.0034483 k( 131) = ( 0.0000000 0.0000000 0.2618411), wk = 0.0034483 k( 132) = ( 0.0000000 0.0000000 0.2763878), wk = 0.0034483 k( 133) = ( 0.0000000 0.0000000 0.2909346), wk = 0.0034483 k( 134) = ( 0.0000000 0.0000000 0.3054813), wk = 0.0034483 k( 135) = ( 0.0000000 0.0000000 0.3054813), wk = 0.0034483 k( 136) = ( 0.0125000 0.0072169 0.3054813), wk = 0.0034483 k( 137) = ( 0.0250000 0.0144338 0.3054813), wk = 0.0034483 k( 138) = ( 0.0375000 0.0216506 0.3054813), wk = 0.0034483 k( 139) = ( 0.0500000 0.0288675 0.3054813), wk = 0.0034483 k( 140) = ( 0.0625000 0.0360844 0.3054813), wk = 0.0034483 k( 141) = ( 0.0750000 0.0433013 0.3054813), wk = 0.0034483 k( 142) = ( 0.0875000 0.0505181 0.3054813), wk = 0.0034483 k( 143) = ( 0.1000000 0.0577350 0.3054813), wk = 0.0034483 k( 144) = ( 0.1125000 0.0649519 0.3054813), wk = 0.0034483 k( 145) = ( 0.1250000 0.0721688 0.3054813), wk = 0.0034483 k( 146) = ( 0.1375000 0.0793857 0.3054813), wk = 0.0034483 k( 147) = ( 0.1500000 0.0866025 0.3054813), wk = 0.0034483 k( 148) = ( 0.1625000 0.0938194 0.3054813), wk = 0.0034483 k( 149) = ( 0.1750000 0.1010363 0.3054813), wk = 0.0034483 k( 150) = ( 0.1875000 0.1082532 0.3054813), wk = 0.0034483 k( 151) = ( 0.2000000 0.1154701 0.3054813), wk = 0.0034483 k( 152) = ( 0.2125000 0.1226869 0.3054813), wk = 0.0034483 k( 153) = ( 0.2250000 0.1299038 0.3054813), wk = 0.0034483 k( 154) = ( 0.2375000 0.1371207 0.3054813), wk = 0.0034483 k( 155) = ( 0.2500000 0.1443376 0.3054813), wk = 0.0034483 k( 156) = ( 0.2625000 0.1515544 0.3054813), wk = 0.0034483 k( 157) = ( 0.2750000 0.1587713 0.3054813), wk = 0.0034483 k( 158) = ( 0.2875000 0.1659882 0.3054813), wk = 0.0034483 k( 159) = ( 0.3000000 0.1732051 0.3054813), wk = 0.0034483 k( 160) = ( 0.3125000 0.1804220 0.3054813), wk = 0.0034483 k( 161) = ( 0.3250000 0.1876388 0.3054813), wk = 0.0034483 k( 162) = ( 0.3375000 0.1948557 0.3054813), wk = 0.0034483 k( 163) = ( 0.3500000 0.2020726 0.3054813), wk = 0.0034483 k( 164) = ( 0.3625000 0.2092895 0.3054813), wk = 0.0034483 k( 165) = ( 0.3750000 0.2165064 0.3054813), wk = 0.0034483 k( 166) = ( 0.3875000 0.2237232 0.3054813), wk = 0.0034483 k( 167) = ( 0.4000000 0.2309401 0.3054813), wk = 0.0034483 k( 168) = ( 0.4125000 0.2381570 0.3054813), wk = 0.0034483 k( 169) = ( 0.4250000 0.2453739 0.3054813), wk = 0.0034483 k( 170) = ( 0.4375000 0.2525907 0.3054813), wk = 0.0034483 k( 171) = ( 0.4500000 0.2598076 0.3054813), wk = 0.0034483 k( 172) = ( 0.4625000 0.2670245 0.3054813), wk = 0.0034483 k( 173) = ( 0.4750000 0.2742414 0.3054813), wk = 0.0034483 k( 174) = ( 0.4875000 0.2814583 0.3054813), wk = 0.0034483 k( 175) = ( 0.5000000 0.2886751 0.3054813), wk = 0.0034483 k( 176) = ( 0.5000000 0.2886751 0.3054813), wk = 0.0034483 k( 177) = ( 0.4927536 0.3012262 0.3054813), wk = 0.0034483 k( 178) = ( 0.4855073 0.3137773 0.3054813), wk = 0.0034483 k( 179) = ( 0.4782609 0.3263284 0.3054813), wk = 0.0034483 k( 180) = ( 0.4710145 0.3388795 0.3054813), wk = 0.0034483 k( 181) = ( 0.4637681 0.3514306 0.3054813), wk = 0.0034483 k( 182) = ( 0.4565217 0.3639817 0.3054813), wk = 0.0034483 k( 183) = ( 0.4492754 0.3765328 0.3054813), wk = 0.0034483 k( 184) = ( 0.4420290 0.3890839 0.3054813), wk = 0.0034483 k( 185) = ( 0.4347826 0.4016350 0.3054813), wk = 0.0034483 k( 186) = ( 0.4275362 0.4141861 0.3054813), wk = 0.0034483 k( 187) = ( 0.4202899 0.4267372 0.3054813), wk = 0.0034483 k( 188) = ( 0.4130435 0.4392882 0.3054813), wk = 0.0034483 k( 189) = ( 0.4057971 0.4518393 0.3054813), wk = 0.0034483 k( 190) = ( 0.3985507 0.4643904 0.3054813), wk = 0.0034483 k( 191) = ( 0.3913044 0.4769415 0.3054813), wk = 0.0034483 k( 192) = ( 0.3840580 0.4894926 0.3054813), wk = 0.0034483 k( 193) = ( 0.3768116 0.5020437 0.3054813), wk = 0.0034483 k( 194) = ( 0.3695652 0.5145948 0.3054813), wk = 0.0034483 k( 195) = ( 0.3623188 0.5271459 0.3054813), wk = 0.0034483 k( 196) = ( 0.3550725 0.5396970 0.3054813), wk = 0.0034483 k( 197) = ( 0.3478261 0.5522481 0.3054813), wk = 0.0034483 k( 198) = ( 0.3405797 0.5647992 0.3054813), wk = 0.0034483 k( 199) = ( 0.3333333 0.5773503 0.3054813), wk = 0.0034483 k( 200) = ( 0.3333333 0.5773503 0.3054813), wk = 0.0034483 k( 201) = ( 0.3260870 0.5647992 0.3054813), wk = 0.0034483 k( 202) = ( 0.3188406 0.5522481 0.3054813), wk = 0.0034483 k( 203) = ( 0.3115942 0.5396970 0.3054813), wk = 0.0034483 k( 204) = ( 0.3043478 0.5271459 0.3054813), wk = 0.0034483 k( 205) = ( 0.2971014 0.5145948 0.3054813), wk = 0.0034483 k( 206) = ( 0.2898551 0.5020437 0.3054813), wk = 0.0034483 k( 207) = ( 0.2826087 0.4894926 0.3054813), wk = 0.0034483 k( 208) = ( 0.2753623 0.4769415 0.3054813), wk = 0.0034483 k( 209) = ( 0.2681159 0.4643904 0.3054813), wk = 0.0034483 k( 210) = ( 0.2608696 0.4518393 0.3054813), wk = 0.0034483 k( 211) = ( 0.2536232 0.4392883 0.3054813), wk = 0.0034483 k( 212) = ( 0.2463768 0.4267372 0.3054813), wk = 0.0034483 k( 213) = ( 0.2391304 0.4141861 0.3054813), wk = 0.0034483 k( 214) = ( 0.2318841 0.4016350 0.3054813), wk = 0.0034483 k( 215) = ( 0.2246377 0.3890839 0.3054813), wk = 0.0034483 k( 216) = ( 0.2173913 0.3765328 0.3054813), wk = 0.0034483 k( 217) = ( 0.2101449 0.3639817 0.3054813), wk = 0.0034483 k( 218) = ( 0.2028986 0.3514306 0.3054813), wk = 0.0034483 k( 219) = ( 0.1956522 0.3388795 0.3054813), wk = 0.0034483 k( 220) = ( 0.1884058 0.3263284 0.3054813), wk = 0.0034483 k( 221) = ( 0.1811594 0.3137773 0.3054813), wk = 0.0034483 k( 222) = ( 0.1739130 0.3012262 0.3054813), wk = 0.0034483 k( 223) = ( 0.1666667 0.2886751 0.3054813), wk = 0.0034483 k( 224) = ( 0.1594203 0.2761240 0.3054813), wk = 0.0034483 k( 225) = ( 0.1521739 0.2635729 0.3054813), wk = 0.0034483 k( 226) = ( 0.1449275 0.2510219 0.3054813), wk = 0.0034483 k( 227) = ( 0.1376812 0.2384708 0.3054813), wk = 0.0034483 k( 228) = ( 0.1304348 0.2259197 0.3054813), wk = 0.0034483 k( 229) = ( 0.1231884 0.2133686 0.3054813), wk = 0.0034483 k( 230) = ( 0.1159420 0.2008175 0.3054813), wk = 0.0034483 k( 231) = ( 0.1086957 0.1882664 0.3054813), wk = 0.0034483 k( 232) = ( 0.1014493 0.1757153 0.3054813), wk = 0.0034483 k( 233) = ( 0.0942029 0.1631642 0.3054813), wk = 0.0034483 k( 234) = ( 0.0869565 0.1506131 0.3054813), wk = 0.0034483 k( 235) = ( 0.0797101 0.1380620 0.3054813), wk = 0.0034483 k( 236) = ( 0.0724638 0.1255109 0.3054813), wk = 0.0034483 k( 237) = ( 0.0652174 0.1129598 0.3054813), wk = 0.0034483 k( 238) = ( 0.0579710 0.1004087 0.3054813), wk = 0.0034483 k( 239) = ( 0.0507246 0.0878577 0.3054813), wk = 0.0034483 k( 240) = ( 0.0434783 0.0753066 0.3054813), wk = 0.0034483 k( 241) = ( 0.0362319 0.0627555 0.3054813), wk = 0.0034483 k( 242) = ( 0.0289855 0.0502044 0.3054813), wk = 0.0034483 k( 243) = ( 0.0217391 0.0376533 0.3054813), wk = 0.0034483 k( 244) = ( 0.0144928 0.0251022 0.3054813), wk = 0.0034483 k( 245) = ( 0.0072464 0.0125511 0.3054813), wk = 0.0034483 k( 246) = ( 0.0000000 0.0000000 0.3054813), wk = 0.0034483 k( 247) = ( 0.5000000 0.2886751 0.3054813), wk = 0.0034483 k( 248) = ( 0.5000000 0.2886751 0.2909346), wk = 0.0034483 k( 249) = ( 0.5000000 0.2886751 0.2763878), wk = 0.0034483 k( 250) = ( 0.5000000 0.2886751 0.2618411), wk = 0.0034483 k( 251) = ( 0.5000000 0.2886751 0.2472944), wk = 0.0034483 k( 252) = ( 0.5000000 0.2886751 0.2327476), wk = 0.0034483 k( 253) = ( 0.5000000 0.2886751 0.2182009), wk = 0.0034483 k( 254) = ( 0.5000000 0.2886751 0.2036542), wk = 0.0034483 k( 255) = ( 0.5000000 0.2886751 0.1891075), wk = 0.0034483 k( 256) = ( 0.5000000 0.2886751 0.1745607), wk = 0.0034483 k( 257) = ( 0.5000000 0.2886751 0.1600140), wk = 0.0034483 k( 258) = ( 0.5000000 0.2886751 0.1454673), wk = 0.0034483 k( 259) = ( 0.5000000 0.2886751 0.1309205), wk = 0.0034483 k( 260) = ( 0.5000000 0.2886751 0.1163738), wk = 0.0034483 k( 261) = ( 0.5000000 0.2886751 0.1018271), wk = 0.0034483 k( 262) = ( 0.5000000 0.2886751 0.0872804), wk = 0.0034483 k( 263) = ( 0.5000000 0.2886751 0.0727336), wk = 0.0034483 k( 264) = ( 0.5000000 0.2886751 0.0581869), wk = 0.0034483 k( 265) = ( 0.5000000 0.2886751 0.0436402), wk = 0.0034483 k( 266) = ( 0.5000000 0.2886751 0.0290935), wk = 0.0034483 k( 267) = ( 0.5000000 0.2886751 0.0145467), wk = 0.0034483 k( 268) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 269) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 270) = ( 0.3333333 0.5773503 0.0145467), wk = 0.0034483 k( 271) = ( 0.3333333 0.5773503 0.0290935), wk = 0.0034483 k( 272) = ( 0.3333333 0.5773503 0.0436402), wk = 0.0034483 k( 273) = ( 0.3333333 0.5773503 0.0581869), wk = 0.0034483 k( 274) = ( 0.3333333 0.5773503 0.0727336), wk = 0.0034483 k( 275) = ( 0.3333333 0.5773503 0.0872804), wk = 0.0034483 k( 276) = ( 0.3333333 0.5773503 0.1018271), wk = 0.0034483 k( 277) = ( 0.3333333 0.5773503 0.1163738), wk = 0.0034483 k( 278) = ( 0.3333333 0.5773503 0.1309205), wk = 0.0034483 k( 279) = ( 0.3333333 0.5773503 0.1454673), wk = 0.0034483 k( 280) = ( 0.3333333 0.5773503 0.1600140), wk = 0.0034483 k( 281) = ( 0.3333333 0.5773503 0.1745607), wk = 0.0034483 k( 282) = ( 0.3333333 0.5773503 0.1891075), wk = 0.0034483 k( 283) = ( 0.3333333 0.5773503 0.2036542), wk = 0.0034483 k( 284) = ( 0.3333333 0.5773503 0.2182009), wk = 0.0034483 k( 285) = ( 0.3333333 0.5773503 0.2327476), wk = 0.0034483 k( 286) = ( 0.3333333 0.5773503 0.2472944), wk = 0.0034483 k( 287) = ( 0.3333333 0.5773503 0.2618411), wk = 0.0034483 k( 288) = ( 0.3333333 0.5773503 0.2763878), wk = 0.0034483 k( 289) = ( 0.3333333 0.5773503 0.2909346), wk = 0.0034483 k( 290) = ( 0.3333333 0.5773503 0.3054813), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0034483 k( 3) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0034483 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0034483 k( 5) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0034483 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0034483 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0034483 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0034483 k( 9) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0034483 k( 10) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0034483 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0034483 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0034483 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0034483 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0034483 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0034483 k( 16) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0034483 k( 17) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0034483 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0034483 k( 19) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0034483 k( 20) = ( 0.2375000 0.0000000 -0.0000000), wk = 0.0034483 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034483 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0034483 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0034483 k( 24) = ( 0.2875000 0.0000000 -0.0000000), wk = 0.0034483 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0034483 k( 26) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0034483 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0034483 k( 28) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0034483 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0034483 k( 30) = ( 0.3625000 0.0000000 -0.0000000), wk = 0.0034483 k( 31) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0034483 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0034483 k( 33) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0034483 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0034483 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0034483 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0034483 k( 37) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0034483 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0034483 k( 39) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0034483 k( 40) = ( 0.4875000 0.0000000 -0.0000000), wk = 0.0034483 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034483 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034483 k( 43) = ( 0.4927536 0.0144928 0.0000000), wk = 0.0034483 k( 44) = ( 0.4855073 0.0289855 -0.0000000), wk = 0.0034483 k( 45) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0034483 k( 46) = ( 0.4710145 0.0579710 0.0000000), wk = 0.0034483 k( 47) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0034483 k( 48) = ( 0.4565217 0.0869565 -0.0000000), wk = 0.0034483 k( 49) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0034483 k( 50) = ( 0.4420290 0.1159420 0.0000000), wk = 0.0034483 k( 51) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0034483 k( 52) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0034483 k( 53) = ( 0.4202899 0.1594203 -0.0000000), wk = 0.0034483 k( 54) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0034483 k( 55) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0034483 k( 56) = ( 0.3985507 0.2028986 -0.0000000), wk = 0.0034483 k( 57) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0034483 k( 58) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0034483 k( 59) = ( 0.3768116 0.2463768 -0.0000000), wk = 0.0034483 k( 60) = ( 0.3695652 0.2608696 -0.0000000), wk = 0.0034483 k( 61) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0034483 k( 62) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0034483 k( 63) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0034483 k( 64) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0034483 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 66) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 67) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0034483 k( 68) = ( 0.3188406 0.3188406 0.0000000), wk = 0.0034483 k( 69) = ( 0.3115942 0.3115942 -0.0000000), wk = 0.0034483 k( 70) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0034483 k( 71) = ( 0.2971014 0.2971015 -0.0000000), wk = 0.0034483 k( 72) = ( 0.2898551 0.2898551 0.0000000), wk = 0.0034483 k( 73) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0034483 k( 74) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0034483 k( 75) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0034483 k( 76) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0034483 k( 77) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0034483 k( 78) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0034483 k( 79) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0034483 k( 80) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0034483 k( 81) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0034483 k( 82) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0034483 k( 83) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0034483 k( 84) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0034483 k( 85) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0034483 k( 86) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0034483 k( 87) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0034483 k( 88) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0034483 k( 89) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0034483 k( 90) = ( 0.1594203 0.1594203 0.0000000), wk = 0.0034483 k( 91) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0034483 k( 92) = ( 0.1449275 0.1449275 0.0000000), wk = 0.0034483 k( 93) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0034483 k( 94) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0034483 k( 95) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0034483 k( 96) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0034483 k( 97) = ( 0.1086957 0.1086957 -0.0000000), wk = 0.0034483 k( 98) = ( 0.1014493 0.1014493 -0.0000000), wk = 0.0034483 k( 99) = ( 0.0942029 0.0942029 0.0000000), wk = 0.0034483 k( 100) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0034483 k( 101) = ( 0.0797101 0.0797101 0.0000000), wk = 0.0034483 k( 102) = ( 0.0724638 0.0724638 0.0000000), wk = 0.0034483 k( 103) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0034483 k( 104) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0034483 k( 105) = ( 0.0507246 0.0507246 -0.0000000), wk = 0.0034483 k( 106) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0034483 k( 107) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0034483 k( 108) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0034483 k( 109) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0034483 k( 110) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0034483 k( 111) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0034483 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 114) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0034483 k( 119) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034483 k( 120) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034483 k( 121) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0034483 k( 122) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034483 k( 123) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0034483 k( 124) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0034483 k( 125) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034483 k( 126) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0034483 k( 127) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034483 k( 128) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034483 k( 129) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0034483 k( 130) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0034483 k( 131) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034483 k( 132) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0034483 k( 133) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0034483 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 136) = ( 0.0125000 0.0000000 0.5000000), wk = 0.0034483 k( 137) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0034483 k( 138) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0034483 k( 139) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0034483 k( 140) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0034483 k( 141) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0034483 k( 142) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0034483 k( 143) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0034483 k( 144) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0034483 k( 145) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0034483 k( 146) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0034483 k( 147) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0034483 k( 148) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0034483 k( 149) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0034483 k( 150) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0034483 k( 151) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0034483 k( 152) = ( 0.2125000 0.0000000 0.5000000), wk = 0.0034483 k( 153) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0034483 k( 154) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0034483 k( 155) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0034483 k( 156) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0034483 k( 157) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0034483 k( 158) = ( 0.2875000 0.0000000 0.5000000), wk = 0.0034483 k( 159) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0034483 k( 160) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0034483 k( 161) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0034483 k( 162) = ( 0.3375000 0.0000000 0.5000000), wk = 0.0034483 k( 163) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0034483 k( 164) = ( 0.3625000 0.0000000 0.5000000), wk = 0.0034483 k( 165) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0034483 k( 166) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0034483 k( 167) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0034483 k( 168) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0034483 k( 169) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0034483 k( 170) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0034483 k( 171) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0034483 k( 172) = ( 0.4625000 0.0000000 0.5000000), wk = 0.0034483 k( 173) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0034483 k( 174) = ( 0.4875000 0.0000000 0.5000000), wk = 0.0034483 k( 175) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 176) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 177) = ( 0.4927536 0.0144928 0.5000000), wk = 0.0034483 k( 178) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0034483 k( 179) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0034483 k( 180) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0034483 k( 181) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0034483 k( 182) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0034483 k( 183) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0034483 k( 184) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0034483 k( 185) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0034483 k( 186) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0034483 k( 187) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0034483 k( 188) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0034483 k( 189) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0034483 k( 190) = ( 0.3985507 0.2028986 0.5000000), wk = 0.0034483 k( 191) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0034483 k( 192) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0034483 k( 193) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0034483 k( 194) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0034483 k( 195) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0034483 k( 196) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0034483 k( 197) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0034483 k( 198) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0034483 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 k( 200) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 k( 201) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0034483 k( 202) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0034483 k( 203) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0034483 k( 204) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0034483 k( 205) = ( 0.2971014 0.2971015 0.5000000), wk = 0.0034483 k( 206) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0034483 k( 207) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0034483 k( 208) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0034483 k( 209) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0034483 k( 210) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0034483 k( 211) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0034483 k( 212) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0034483 k( 213) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0034483 k( 214) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0034483 k( 215) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0034483 k( 216) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0034483 k( 217) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0034483 k( 218) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0034483 k( 219) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0034483 k( 220) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0034483 k( 221) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0034483 k( 222) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0034483 k( 223) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034483 k( 224) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0034483 k( 225) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0034483 k( 226) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0034483 k( 227) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0034483 k( 228) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0034483 k( 229) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0034483 k( 230) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0034483 k( 231) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0034483 k( 232) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0034483 k( 233) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0034483 k( 234) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0034483 k( 235) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0034483 k( 236) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0034483 k( 237) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0034483 k( 238) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0034483 k( 239) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0034483 k( 240) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0034483 k( 241) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0034483 k( 242) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0034483 k( 243) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0034483 k( 244) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0034483 k( 245) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0034483 k( 246) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 248) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0034483 k( 249) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0034483 k( 250) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0034483 k( 251) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0034483 k( 252) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0034483 k( 253) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0034483 k( 254) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034483 k( 255) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0034483 k( 256) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0034483 k( 257) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0034483 k( 258) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0034483 k( 259) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0034483 k( 260) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0034483 k( 261) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034483 k( 262) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0034483 k( 263) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0034483 k( 264) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0034483 k( 265) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0034483 k( 266) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0034483 k( 267) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0034483 k( 268) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034483 k( 269) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 270) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0034483 k( 271) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0034483 k( 272) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0034483 k( 273) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0034483 k( 274) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0034483 k( 275) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0034483 k( 276) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034483 k( 277) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0034483 k( 278) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0034483 k( 279) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0034483 k( 280) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0034483 k( 281) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0034483 k( 282) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0034483 k( 283) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034483 k( 284) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0034483 k( 285) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0034483 k( 286) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0034483 k( 287) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0034483 k( 288) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0034483 k( 289) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0034483 k( 290) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 Dense grid: 248999 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 28903 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 166, 44) NL pseudopotentials 0.17 Mb ( 83, 136) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.04 Mb ( 5189) G-vector shells 0.02 Mb ( 2478) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 166, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./CdTe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.4 secs Computing kpt #: 2 total cpu time spent up to now is 43.3 secs Computing kpt #: 3 total cpu time spent up to now is 45.3 secs Computing kpt #: 4 total cpu time spent up to now is 47.2 secs Computing kpt #: 5 total cpu time spent up to now is 49.3 secs Computing kpt #: 6 total cpu time spent up to now is 51.3 secs Computing kpt #: 7 total cpu time spent up to now is 53.1 secs Computing kpt #: 8 total cpu time spent up to now is 55.2 secs Computing kpt #: 9 total cpu time spent up to now is 57.1 secs Computing kpt #: 10 total cpu time spent up to now is 59.0 secs Computing kpt #: 11 total cpu time spent up to now is 60.9 secs Computing kpt #: 12 total cpu time spent up to now is 62.7 secs Computing kpt #: 13 total cpu time spent up to now is 64.8 secs Computing kpt #: 14 total cpu time spent up to now is 66.7 secs Computing kpt #: 15 total cpu time spent up to now is 68.7 secs Computing kpt #: 16 total cpu time spent up to now is 70.8 secs Computing kpt #: 17 total cpu time spent up to now is 72.8 secs Computing kpt #: 18 total cpu time spent up to now is 74.8 secs Computing kpt #: 19 total cpu time spent up to now is 76.7 secs Computing kpt #: 20 total cpu time spent up to now is 78.7 secs Computing kpt #: 21 total cpu time spent up to now is 80.8 secs Computing kpt #: 22 total cpu time spent up to now is 82.8 secs Computing kpt #: 23 total cpu time spent up to now is 84.7 secs Computing kpt #: 24 total cpu time spent up to now is 86.7 secs Computing kpt #: 25 total cpu time spent up to now is 88.6 secs Computing kpt #: 26 total cpu time spent up to now is 90.5 secs Computing kpt #: 27 total cpu time spent up to now is 92.4 secs Computing kpt #: 28 total cpu time spent up to now is 94.6 secs Computing kpt #: 29 total cpu time spent up to now is 96.5 secs Computing kpt #: 30 total cpu time spent up to now is 98.4 secs Computing kpt #: 31 total cpu time spent up to now is 100.4 secs Computing kpt #: 32 total cpu time spent up to now is 102.2 secs Computing kpt #: 33 total cpu time spent up to now is 104.1 secs Computing kpt #: 34 total cpu time spent up to now is 106.3 secs Computing kpt #: 35 total cpu time spent up to now is 108.2 secs Computing kpt #: 36 total cpu time spent up to now is 110.1 secs Computing kpt #: 37 total cpu time spent up to now is 112.0 secs Computing kpt #: 38 total cpu time spent up to now is 113.8 secs Computing kpt #: 39 total cpu time spent up to now is 115.7 secs Computing kpt #: 40 total cpu time spent up to now is 117.7 secs Computing kpt #: 41 total cpu time spent up to now is 119.4 secs Computing kpt #: 42 total cpu time spent up to now is 121.0 secs Computing kpt #: 43 total cpu time spent up to now is 122.7 secs Computing kpt #: 44 total cpu time spent up to now is 124.5 secs Computing kpt #: 45 total cpu time spent up to now is 126.3 secs Computing kpt #: 46 total cpu time spent up to now is 128.2 secs Computing kpt #: 47 total cpu time spent up to now is 130.1 secs Computing kpt #: 48 total cpu time spent up to now is 131.9 secs Computing kpt #: 49 total cpu time spent up to now is 133.6 secs Computing kpt #: 50 total cpu time spent up to now is 135.5 secs Computing kpt #: 51 total cpu time spent up to now is 137.4 secs Computing kpt #: 52 total cpu time spent up to now is 139.2 secs Computing kpt #: 53 total cpu time spent up to now is 141.2 secs Computing kpt #: 54 total cpu time spent up to now is 143.0 secs Computing kpt #: 55 total cpu time spent up to now is 144.8 secs Computing kpt #: 56 total cpu time spent up to now is 146.8 secs Computing kpt #: 57 total cpu time spent up to now is 148.8 secs Computing kpt #: 58 total cpu time spent up to now is 151.1 secs Computing kpt #: 59 total cpu time spent up to now is 153.4 secs Computing kpt #: 60 total cpu time spent up to now is 155.5 secs Computing kpt #: 61 total cpu time spent up to now is 157.9 secs Computing kpt #: 62 total cpu time spent up to now is 160.3 secs Computing kpt #: 63 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.7 secs Computing kpt #: 64 total cpu time spent up to now is 166.7 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.0 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.2 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 176.8 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 180.2 secs Computing kpt #: 69 total cpu time spent up to now is 183.5 secs Computing kpt #: 70 total cpu time spent up to now is 186.3 secs Computing kpt #: 71 total cpu time spent up to now is 188.9 secs Computing kpt #: 72 total cpu time spent up to now is 191.2 secs Computing kpt #: 73 total cpu time spent up to now is 193.3 secs Computing kpt #: 74 total cpu time spent up to now is 195.9 secs Computing kpt #: 75 total cpu time spent up to now is 197.8 secs Computing kpt #: 76 total cpu time spent up to now is 199.8 secs Computing kpt #: 77 total cpu time spent up to now is 201.6 secs Computing kpt #: 78 total cpu time spent up to now is 203.4 secs Computing kpt #: 79 total cpu time spent up to now is 205.1 secs Computing kpt #: 80 total cpu time spent up to now is 207.1 secs Computing kpt #: 81 total cpu time spent up to now is 209.0 secs Computing kpt #: 82 total cpu time spent up to now is 210.6 secs Computing kpt #: 83 total cpu time spent up to now is 212.2 secs Computing kpt #: 84 total cpu time spent up to now is 213.9 secs Computing kpt #: 85 total cpu time spent up to now is 215.7 secs Computing kpt #: 86 total cpu time spent up to now is 217.4 secs Computing kpt #: 87 total cpu time spent up to now is 219.1 secs Computing kpt #: 88 total cpu time spent up to now is 220.8 secs Computing kpt #: 89 total cpu time spent up to now is 222.4 secs Computing kpt #: 90 total cpu time spent up to now is 224.1 secs Computing kpt #: 91 total cpu time spent up to now is 225.8 secs Computing kpt #: 92 total cpu time spent up to now is 227.5 secs Computing kpt #: 93 total cpu time spent up to now is 229.9 secs Computing kpt #: 94 total cpu time spent up to now is 231.7 secs Computing kpt #: 95 total cpu time spent up to now is 233.4 secs Computing kpt #: 96 total cpu time spent up to now is 235.3 secs Computing kpt #: 97 total cpu time spent up to now is 237.2 secs Computing kpt #: 98 total cpu time spent up to now is 239.1 secs Computing kpt #: 99 total cpu time spent up to now is 240.9 secs Computing kpt #: 100 total cpu time spent up to now is 242.8 secs Computing kpt #: 101 total cpu time spent up to now is 244.6 secs Computing kpt #: 102 total cpu time spent up to now is 246.7 secs Computing kpt #: 103 total cpu time spent up to now is 248.6 secs Computing kpt #: 104 total cpu time spent up to now is 250.5 secs Computing kpt #: 105 total cpu time spent up to now is 252.6 secs Computing kpt #: 106 total cpu time spent up to now is 254.5 secs Computing kpt #: 107 total cpu time spent up to now is 256.4 secs Computing kpt #: 108 total cpu time spent up to now is 258.2 secs Computing kpt #: 109 total cpu time spent up to now is 260.6 secs Computing kpt #: 110 total cpu time spent up to now is 262.5 secs Computing kpt #: 111 total cpu time spent up to now is 264.5 secs Computing kpt #: 112 total cpu time spent up to now is 266.5 secs Computing kpt #: 113 total cpu time spent up to now is 268.3 secs Computing kpt #: 114 total cpu time spent up to now is 270.1 secs Computing kpt #: 115 total cpu time spent up to now is 272.9 secs Computing kpt #: 116 total cpu time spent up to now is 274.8 secs Computing kpt #: 117 total cpu time spent up to now is 276.8 secs Computing kpt #: 118 total cpu time spent up to now is 279.3 secs Computing kpt #: 119 total cpu time spent up to now is 281.5 secs Computing kpt #: 120 total cpu time spent up to now is 284.2 secs Computing kpt #: 121 total cpu time spent up to now is 287.0 secs Computing kpt #: 122 total cpu time spent up to now is 289.7 secs Computing kpt #: 123 total cpu time spent up to now is 291.6 secs Computing kpt #: 124 total cpu time spent up to now is 293.4 secs Computing kpt #: 125 total cpu time spent up to now is 295.2 secs Computing kpt #: 126 total cpu time spent up to now is 297.1 secs Computing kpt #: 127 total cpu time spent up to now is 299.1 secs Computing kpt #: 128 total cpu time spent up to now is 300.9 secs Computing kpt #: 129 total cpu time spent up to now is 302.7 secs Computing kpt #: 130 total cpu time spent up to now is 304.7 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.1 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 311.5 secs Computing kpt #: 133 total cpu time spent up to now is 313.6 secs Computing kpt #: 134 total cpu time spent up to now is 315.8 secs Computing kpt #: 135 total cpu time spent up to now is 317.7 secs Computing kpt #: 136 total cpu time spent up to now is 319.8 secs Computing kpt #: 137 total cpu time spent up to now is 321.8 secs Computing kpt #: 138 total cpu time spent up to now is 323.7 secs Computing kpt #: 139 total cpu time spent up to now is 325.5 secs Computing kpt #: 140 total cpu time spent up to now is 327.2 secs Computing kpt #: 141 total cpu time spent up to now is 329.1 secs Computing kpt #: 142 total cpu time spent up to now is 331.0 secs Computing kpt #: 143 total cpu time spent up to now is 332.9 secs Computing kpt #: 144 total cpu time spent up to now is 334.7 secs Computing kpt #: 145 total cpu time spent up to now is 336.2 secs Computing kpt #: 146 total cpu time spent up to now is 338.6 secs Computing kpt #: 147 total cpu time spent up to now is 340.5 secs Computing kpt #: 148 total cpu time spent up to now is 342.1 secs Computing kpt #: 149 total cpu time spent up to now is 343.7 secs Computing kpt #: 150 total cpu time spent up to now is 345.3 secs Computing kpt #: 151 total cpu time spent up to now is 346.8 secs Computing kpt #: 152 total cpu time spent up to now is 348.4 secs Computing kpt #: 153 total cpu time spent up to now is 350.2 secs Computing kpt #: 154 total cpu time spent up to now is 351.8 secs Computing kpt #: 155 total cpu time spent up to now is 353.4 secs Computing kpt #: 156 total cpu time spent up to now is 355.0 secs Computing kpt #: 157 total cpu time spent up to now is 357.0 secs Computing kpt #: 158 total cpu time spent up to now is 359.1 secs Computing kpt #: 159 total cpu time spent up to now is 360.7 secs Computing kpt #: 160 total cpu time spent up to now is 362.2 secs Computing kpt #: 161 total cpu time spent up to now is 363.8 secs Computing kpt #: 162 total cpu time spent up to now is 365.4 secs Computing kpt #: 163 total cpu time spent up to now is 367.0 secs Computing kpt #: 164 total cpu time spent up to now is 368.8 secs Computing kpt #: 165 total cpu time spent up to now is 370.8 secs Computing kpt #: 166 total cpu time spent up to now is 372.3 secs Computing kpt #: 167 total cpu time spent up to now is 373.8 secs Computing kpt #: 168 total cpu time spent up to now is 375.3 secs Computing kpt #: 169 total cpu time spent up to now is 377.7 secs Computing kpt #: 170 total cpu time spent up to now is 380.0 secs Computing kpt #: 171 total cpu time spent up to now is 381.7 secs Computing kpt #: 172 total cpu time spent up to now is 383.4 secs Computing kpt #: 173 total cpu time spent up to now is 385.4 secs Computing kpt #: 174 total cpu time spent up to now is 386.8 secs Computing kpt #: 175 total cpu time spent up to now is 388.3 secs Computing kpt #: 176 total cpu time spent up to now is 389.9 secs Computing kpt #: 177 total cpu time spent up to now is 391.4 secs Computing kpt #: 178 total cpu time spent up to now is 392.8 secs Computing kpt #: 179 total cpu time spent up to now is 394.2 secs Computing kpt #: 180 total cpu time spent up to now is 395.8 secs Computing kpt #: 181 total cpu time spent up to now is 397.3 secs Computing kpt #: 182 total cpu time spent up to now is 398.9 secs Computing kpt #: 183 total cpu time spent up to now is 400.4 secs Computing kpt #: 184 total cpu time spent up to now is 402.0 secs Computing kpt #: 185 total cpu time spent up to now is 403.9 secs Computing kpt #: 186 total cpu time spent up to now is 405.7 secs Computing kpt #: 187 total cpu time spent up to now is 407.3 secs Computing kpt #: 188 total cpu time spent up to now is 408.9 secs Computing kpt #: 189 total cpu time spent up to now is 410.6 secs Computing kpt #: 190 total cpu time spent up to now is 412.3 secs Computing kpt #: 191 total cpu time spent up to now is 414.1 secs Computing kpt #: 192 total cpu time spent up to now is 415.9 secs Computing kpt #: 193 total cpu time spent up to now is 417.6 secs Computing kpt #: 194 total cpu time spent up to now is 419.3 secs Computing kpt #: 195 total cpu time spent up to now is 421.1 secs Computing kpt #: 196 total cpu time spent up to now is 423.0 secs Computing kpt #: 197 total cpu time spent up to now is 424.9 secs Computing kpt #: 198 total cpu time spent up to now is 426.7 secs Computing kpt #: 199 total cpu time spent up to now is 429.1 secs Computing kpt #: 200 total cpu time spent up to now is 431.1 secs Computing kpt #: 201 total cpu time spent up to now is 433.2 secs Computing kpt #: 202 total cpu time spent up to now is 435.1 secs Computing kpt #: 203 total cpu time spent up to now is 436.8 secs Computing kpt #: 204 total cpu time spent up to now is 438.5 secs Computing kpt #: 205 total cpu time spent up to now is 440.3 secs Computing kpt #: 206 total cpu time spent up to now is 442.2 secs Computing kpt #: 207 total cpu time spent up to now is 443.9 secs Computing kpt #: 208 total cpu time spent up to now is 445.6 secs Computing kpt #: 209 total cpu time spent up to now is 447.3 secs Computing kpt #: 210 total cpu time spent up to now is 449.0 secs Computing kpt #: 211 total cpu time spent up to now is 450.7 secs Computing kpt #: 212 total cpu time spent up to now is 452.5 secs Computing kpt #: 213 total cpu time spent up to now is 454.2 secs Computing kpt #: 214 total cpu time spent up to now is 455.9 secs Computing kpt #: 215 total cpu time spent up to now is 457.7 secs Computing kpt #: 216 total cpu time spent up to now is 459.4 secs Computing kpt #: 217 total cpu time spent up to now is 461.1 secs Computing kpt #: 218 total cpu time spent up to now is 462.7 secs Computing kpt #: 219 total cpu time spent up to now is 464.4 secs Computing kpt #: 220 total cpu time spent up to now is 466.2 secs Computing kpt #: 221 total cpu time spent up to now is 467.9 secs Computing kpt #: 222 total cpu time spent up to now is 469.6 secs Computing kpt #: 223 total cpu time spent up to now is 471.2 secs Computing kpt #: 224 total cpu time spent up to now is 473.0 secs Computing kpt #: 225 total cpu time spent up to now is 474.9 secs Computing kpt #: 226 total cpu time spent up to now is 476.5 secs Computing kpt #: 227 total cpu time spent up to now is 478.2 secs Computing kpt #: 228 total cpu time spent up to now is 479.8 secs Computing kpt #: 229 total cpu time spent up to now is 481.9 secs Computing kpt #: 230 total cpu time spent up to now is 484.4 secs Computing kpt #: 231 total cpu time spent up to now is 486.0 secs Computing kpt #: 232 total cpu time spent up to now is 487.6 secs Computing kpt #: 233 total cpu time spent up to now is 489.7 secs Computing kpt #: 234 total cpu time spent up to now is 491.4 secs Computing kpt #: 235 total cpu time spent up to now is 493.6 secs Computing kpt #: 236 total cpu time spent up to now is 495.5 secs Computing kpt #: 237 total cpu time spent up to now is 497.3 secs Computing kpt #: 238 total cpu time spent up to now is 499.0 secs Computing kpt #: 239 total cpu time spent up to now is 500.8 secs Computing kpt #: 240 total cpu time spent up to now is 502.7 secs Computing kpt #: 241 total cpu time spent up to now is 504.6 secs Computing kpt #: 242 total cpu time spent up to now is 506.5 secs Computing kpt #: 243 total cpu time spent up to now is 508.4 secs Computing kpt #: 244 total cpu time spent up to now is 510.5 secs Computing kpt #: 245 total cpu time spent up to now is 512.7 secs Computing kpt #: 246 total cpu time spent up to now is 515.0 secs Computing kpt #: 247 total cpu time spent up to now is 516.5 secs Computing kpt #: 248 total cpu time spent up to now is 517.8 secs Computing kpt #: 249 total cpu time spent up to now is 519.2 secs Computing kpt #: 250 total cpu time spent up to now is 520.8 secs Computing kpt #: 251 total cpu time spent up to now is 522.4 secs Computing kpt #: 252 total cpu time spent up to now is 524.0 secs Computing kpt #: 253 total cpu time spent up to now is 525.5 secs Computing kpt #: 254 total cpu time spent up to now is 527.0 secs Computing kpt #: 255 total cpu time spent up to now is 528.5 secs Computing kpt #: 256 total cpu time spent up to now is 530.2 secs Computing kpt #: 257 total cpu time spent up to now is 531.7 secs Computing kpt #: 258 total cpu time spent up to now is 534.2 secs Computing kpt #: 259 total cpu time spent up to now is 536.7 secs Computing kpt #: 260 total cpu time spent up to now is 539.4 secs Computing kpt #: 261 total cpu time spent up to now is 541.3 secs Computing kpt #: 262 total cpu time spent up to now is 543.2 secs Computing kpt #: 263 total cpu time spent up to now is 545.0 secs Computing kpt #: 264 total cpu time spent up to now is 546.7 secs Computing kpt #: 265 total cpu time spent up to now is 548.5 secs Computing kpt #: 266 total cpu time spent up to now is 550.2 secs Computing kpt #: 267 total cpu time spent up to now is 552.0 secs Computing kpt #: 268 total cpu time spent up to now is 554.3 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 557.6 secs Computing kpt #: 270 total cpu time spent up to now is 560.0 secs Computing kpt #: 271 total cpu time spent up to now is 562.3 secs Computing kpt #: 272 total cpu time spent up to now is 564.6 secs Computing kpt #: 273 total cpu time spent up to now is 566.8 secs Computing kpt #: 274 total cpu time spent up to now is 569.1 secs Computing kpt #: 275 total cpu time spent up to now is 571.9 secs Computing kpt #: 276 total cpu time spent up to now is 574.4 secs Computing kpt #: 277 total cpu time spent up to now is 576.7 secs Computing kpt #: 278 total cpu time spent up to now is 578.7 secs Computing kpt #: 279 total cpu time spent up to now is 581.0 secs Computing kpt #: 280 total cpu time spent up to now is 583.4 secs Computing kpt #: 281 total cpu time spent up to now is 585.3 secs Computing kpt #: 282 total cpu time spent up to now is 587.2 secs Computing kpt #: 283 total cpu time spent up to now is 589.2 secs Computing kpt #: 284 total cpu time spent up to now is 591.3 secs Computing kpt #: 285 total cpu time spent up to now is 593.4 secs Computing kpt #: 286 total cpu time spent up to now is 595.4 secs Computing kpt #: 287 total cpu time spent up to now is 597.5 secs Computing kpt #: 288 total cpu time spent up to now is 599.6 secs Computing kpt #: 289 total cpu time spent up to now is 601.6 secs Computing kpt #: 290 total cpu time spent up to now is 603.5 secs ethr = 2.78E-11, avg # of iterations = 43.1 total cpu time spent up to now is 603.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3657 PWs) bands (ev): -5.9966 -5.9966 -5.5946 -5.5946 -3.4151 -3.4151 -3.4046 -3.4046 -3.3846 -3.3846 -3.1441 -3.1441 -2.8569 -2.8569 -2.7574 -2.7574 -2.6628 -2.6628 -2.6569 -2.6569 -2.5849 -2.5849 -2.3085 -2.3085 0.7206 0.7206 4.1346 4.1346 4.6141 4.6141 4.6586 4.6586 5.4577 5.4577 5.4986 5.4986 6.0599 6.0599 6.8517 6.8517 9.5643 9.5643 9.8501 9.8501 k = 0.0125 0.0072-0.0000 ( 3659 PWs) bands (ev): -5.9960 -5.9960 -5.5950 -5.5936 -3.4150 -3.4150 -3.4052 -3.4038 -3.3844 -3.3844 -3.1514 -3.1366 -2.8570 -2.8565 -2.7592 -2.7553 -2.6634 -2.6621 -2.6569 -2.6569 -2.5849 -2.5849 -2.3127 -2.3039 0.7179 0.7249 4.1214 4.1373 4.6010 4.6066 4.6570 4.6577 5.4373 5.4597 5.4817 5.4868 6.0794 6.0887 6.8542 6.8689 9.5629 9.5653 9.8481 9.8483 k = 0.0250 0.0144-0.0000 ( 3655 PWs) bands (ev): -5.9944 -5.9944 -5.5949 -5.5922 -3.4147 -3.4145 -3.4055 -3.4027 -3.3839 -3.3839 -3.1585 -3.1290 -2.8567 -2.8556 -2.7608 -2.7530 -2.6639 -2.6613 -2.6568 -2.6568 -2.5850 -2.5850 -2.3164 -2.2988 0.7169 0.7309 4.0976 4.1298 4.5710 4.5806 4.6493 4.6525 5.3844 5.4206 5.4655 5.4718 6.1403 6.1546 6.8759 6.9048 9.5606 9.5652 9.8424 9.8437 k = 0.0375 0.0217-0.0000 ( 3645 PWs) bands (ev): -5.9917 -5.9916 -5.5944 -5.5904 -3.4143 -3.4137 -3.4053 -3.4016 -3.3831 -3.3830 -3.1654 -3.1213 -2.8559 -2.8543 -2.7621 -2.7505 -2.6643 -2.6604 -2.6567 -2.6567 -2.5851 -2.5851 -2.3196 -2.2934 0.7174 0.7386 4.0629 4.1116 4.5280 4.5411 4.6328 4.6395 5.3100 5.3483 5.4591 5.4598 6.2260 6.2415 6.9155 6.9578 9.5563 9.5626 9.8348 9.8383 k = 0.0500 0.0289-0.0000 ( 3645 PWs) bands (ev): -5.9879 -5.9878 -5.5933 -5.5880 -3.4140 -3.4126 -3.4044 -3.4003 -3.3819 -3.3818 -3.1721 -3.1135 -2.8547 -2.8526 -2.7630 -2.7479 -2.6646 -2.6593 -2.6565 -2.6565 -2.5854 -2.5853 -2.3224 -2.2876 0.7195 0.7480 4.0168 4.0825 4.4746 4.4910 4.6069 4.6170 5.2295 5.2679 5.4470 5.4502 6.3247 6.3388 6.9706 7.0251 9.5483 9.5555 9.8286 9.8349 k = 0.0625 0.0361-0.0000 ( 3633 PWs) bands (ev): -5.9830 -5.9829 -5.5919 -5.5852 -3.4139 -3.4112 -3.4027 -3.3989 -3.3804 -3.3802 -3.1787 -3.1057 -2.8531 -2.8506 -2.7636 -2.7451 -2.6648 -2.6582 -2.6562 -2.6562 -2.5856 -2.5855 -2.3247 -2.2814 0.7231 0.7590 3.9594 4.0418 4.4131 4.4321 4.5715 4.5843 5.1516 5.1877 5.4323 5.4384 6.4293 6.4407 7.0384 7.1041 9.5349 9.5418 9.8274 9.8364 k = 0.0750 0.0433-0.0000 ( 3629 PWs) bands (ev): -5.9771 -5.9770 -5.5899 -5.5820 -3.4140 -3.4096 -3.4003 -3.3974 -3.3786 -3.3782 -3.1850 -3.0978 -2.8511 -2.8481 -2.7638 -2.7423 -2.6648 -2.6569 -2.6559 -2.6558 -2.5859 -2.5857 -2.3264 -2.2748 0.7281 0.7716 3.8911 3.9890 4.3457 4.3653 4.5268 4.5418 5.0807 5.1120 5.4152 5.4236 6.5363 6.5439 7.1158 7.1916 9.5160 9.5209 9.8339 9.8450 k = 0.0875 0.0505-0.0000 ( 3627 PWs) bands (ev): -5.9702 -5.9701 -5.5875 -5.5783 -3.4142 -3.4077 -3.3973 -3.3957 -3.3765 -3.3758 -3.1910 -3.0899 -2.8486 -2.8454 -2.7637 -2.7394 -2.6648 -2.6556 -2.6554 -2.6554 -2.5863 -2.5859 -2.3277 -2.2678 0.7344 0.7858 3.8126 3.9242 4.2737 4.2905 4.4742 4.4915 5.0188 5.0431 5.3957 5.4059 6.6433 6.6465 7.1998 7.2849 9.4928 9.4944 9.8486 9.8611 k = 0.1000 0.0577-0.0000 ( 3631 PWs) bands (ev): -5.9624 -5.9622 -5.5848 -5.5743 -3.4143 -3.4056 -3.3940 -3.3936 -3.3740 -3.3729 -3.1968 -3.0820 -2.8458 -2.8422 -2.7631 -2.7364 -2.6647 -2.6550 -2.6547 -2.6540 -2.5867 -2.5861 -2.3284 -2.2606 0.7419 0.8015 3.7254 3.8481 4.1972 4.2070 4.4159 4.4364 4.9656 4.9817 5.3738 5.3855 6.7470 6.7489 7.2874 7.3810 9.4650 9.4677 9.8704 9.8842 k = 0.1125 0.0650-0.0000 ( 3623 PWs) bands (ev): -5.9536 -5.9534 -5.5816 -5.5699 -3.4145 -3.4035 -3.3922 -3.3894 -3.3712 -3.3696 -3.2024 -3.0742 -2.8425 -2.8388 -2.7621 -2.7335 -2.6645 -2.6544 -2.6539 -2.6523 -2.5871 -2.5863 -2.3285 -2.2529 0.7505 0.8187 3.6309 3.7624 4.1148 4.1154 4.3549 4.3795 4.9195 4.9269 5.3495 5.3624 6.8446 6.8521 7.3758 7.4771 9.4359 9.4438 9.8976 9.9129 k = 0.1250 0.0722-0.0000 ( 3623 PWs) bands (ev): -5.9440 -5.9436 -5.5781 -5.5653 -3.4146 -3.4012 -3.3902 -3.3847 -3.3680 -3.3658 -3.2077 -3.0666 -2.8389 -2.8350 -2.7607 -2.7307 -2.6642 -2.6536 -2.6528 -2.6505 -2.5875 -2.5865 -2.3280 -2.2450 0.7600 0.8371 3.5310 3.6693 4.0145 4.0274 4.2941 4.3229 4.8773 4.8783 5.3228 5.3368 6.9384 6.9521 7.4622 7.5704 9.4103 9.4242 9.9285 9.9459 k = 0.1375 0.0794-0.0000 ( 3621 PWs) bands (ev): -5.9335 -5.9331 -5.5743 -5.5603 -3.4147 -3.3990 -3.3881 -3.3796 -3.3644 -3.3615 -3.2128 -3.0590 -2.8349 -2.8310 -2.7588 -2.7280 -2.6639 -2.6528 -2.6515 -2.6484 -2.5879 -2.5866 -2.3270 -2.2368 0.7702 0.8568 3.4271 3.5708 3.9076 3.9331 4.2350 4.2676 4.8315 4.8404 5.2939 5.3087 7.0280 7.0483 7.5441 7.6582 9.3906 9.4117 9.9612 9.9815 k = 0.1500 0.0866-0.0000 ( 3617 PWs) bands (ev): -5.9223 -5.9217 -5.5702 -5.5551 -3.4146 -3.3969 -3.3858 -3.3743 -3.3605 -3.3564 -3.2176 -3.0517 -2.8307 -2.8267 -2.7564 -2.7253 -2.6635 -2.6519 -2.6498 -2.6461 -2.5882 -2.5867 -2.3254 -2.2283 0.7810 0.8775 3.3207 3.4689 3.7957 3.8334 4.1784 4.2139 4.7881 4.8041 5.2629 5.2785 7.1127 7.1401 7.6190 7.7379 9.3791 9.4087 9.9939 10.0181 k = 0.1625 0.0938-0.0000 ( 3615 PWs) bands (ev): -5.9104 -5.9096 -5.5658 -5.5498 -3.4145 -3.3950 -3.3834 -3.3688 -3.3562 -3.3506 -3.2221 -3.0446 -2.8262 -2.8221 -2.7535 -2.7229 -2.6630 -2.6509 -2.6478 -2.6435 -2.5885 -2.5867 -2.3231 -2.2195 0.7922 0.8990 3.2131 3.3652 3.6803 3.7298 4.1240 4.1614 4.7460 4.7686 5.2300 5.2461 7.1922 7.2272 7.6848 7.8073 9.3772 9.4170 10.0240 10.0535 k = 0.1750 0.1010-0.0000 ( 3605 PWs) bands (ev): -5.8978 -5.8968 -5.5613 -5.5442 -3.4144 -3.3931 -3.3807 -3.3632 -3.3516 -3.3439 -3.2264 -3.0377 -2.8215 -2.8173 -2.7502 -2.7206 -2.6625 -2.6499 -2.6454 -2.6405 -2.5886 -2.5866 -2.3203 -2.2105 0.8034 0.9212 3.1055 3.2609 3.5628 3.6236 4.0714 4.1102 4.7045 4.7331 5.1952 5.2119 7.2661 7.3092 7.7400 7.8649 9.3858 9.4373 10.0483 10.0843 k = 0.1875 0.1083-0.0000 ( 3607 PWs) bands (ev): -5.8846 -5.8835 -5.5566 -5.5386 -3.4141 -3.3915 -3.3780 -3.3577 -3.3465 -3.3363 -3.2303 -3.0312 -2.8166 -2.8124 -2.7463 -2.7184 -2.6620 -2.6488 -2.6426 -2.6372 -2.5886 -2.5863 -2.3168 -2.2013 0.8145 0.9438 2.9989 3.1571 3.4440 3.5162 4.0205 4.0601 4.6630 4.6971 5.1588 5.1760 7.3341 7.3859 7.7836 7.9099 9.4046 9.4689 10.0633 10.1052 k = 0.2000 0.1155-0.0000 ( 3615 PWs) bands (ev): -5.8709 -5.8696 -5.5517 -5.5329 -3.4138 -3.3900 -3.3752 -3.3523 -3.3412 -3.3279 -3.2340 -3.0250 -2.8118 -2.8073 -2.7420 -2.7165 -2.6614 -2.6478 -2.6394 -2.6334 -2.5883 -2.5859 -2.3128 -2.1920 0.8251 0.9663 2.8943 3.0546 3.3248 3.4089 3.9708 4.0110 4.6211 4.6604 5.1210 5.1387 7.3960 7.4569 7.8157 7.9429 9.4324 9.5096 10.0674 10.1120 k = 0.2125 0.1227-0.0000 ( 3611 PWs) bands (ev): -5.8568 -5.8552 -5.5468 -5.5272 -3.4134 -3.3887 -3.3723 -3.3469 -3.3355 -3.3187 -3.2373 -3.0192 -2.8069 -2.8021 -2.7372 -2.7146 -2.6607 -2.6468 -2.6357 -2.6292 -2.5877 -2.5854 -2.3082 -2.1825 0.8348 0.9886 2.7926 2.9540 3.2060 3.3028 3.9224 3.9629 4.5787 4.6227 5.0820 5.1002 7.4516 7.5223 7.8371 7.9651 9.4667 9.5554 10.0625 10.1083 k = 0.2250 0.1299-0.0000 ( 3617 PWs) bands (ev): -5.8423 -5.8405 -5.5419 -5.5216 -3.4129 -3.3875 -3.3695 -3.3416 -3.3295 -3.3087 -3.2402 -3.0138 -2.8021 -2.7968 -2.7321 -2.7129 -2.6599 -2.6458 -2.6317 -2.6246 -2.5865 -2.5846 -2.3030 -2.1730 0.8435 1.0099 2.6947 2.8557 3.0880 3.1991 3.8751 3.9159 4.5355 4.5840 5.0421 5.0608 7.5007 7.5818 7.8489 7.9784 9.5045 9.6010 10.0530 10.1026 k = 0.2375 0.1371-0.0000 ( 3621 PWs) bands (ev): -5.8276 -5.8254 -5.5369 -5.5160 -3.4124 -3.3864 -3.3666 -3.3364 -3.3234 -3.2983 -3.2426 -3.0089 -2.7976 -2.7916 -2.7265 -2.7112 -2.6590 -2.6449 -2.6276 -2.6195 -2.5845 -2.5836 -2.2973 -2.1635 0.8507 1.0299 2.6015 2.7599 2.9715 3.0988 3.8290 3.8700 4.4914 4.5441 5.0016 5.0207 7.5432 7.6354 7.8528 7.9849 9.5420 9.6401 10.0430 10.1020 k = 0.2500 0.1443-0.0000 ( 3617 PWs) bands (ev): -5.8126 -5.8101 -5.5320 -5.5106 -3.4117 -3.3855 -3.3637 -3.3314 -3.3170 -3.2875 -3.2443 -3.0044 -2.7933 -2.7866 -2.7207 -2.7095 -2.6581 -2.6441 -2.6235 -2.6141 -2.5823 -2.5813 -2.2912 -2.1541 0.8560 1.0478 2.5139 2.6664 2.8570 3.0033 3.7841 3.8253 4.4464 4.5031 4.9607 4.9803 7.5791 7.6832 7.8506 7.9867 9.5749 9.6671 10.0364 10.1114 k = 0.2625 0.1516-0.0000 ( 3619 PWs) bands (ev): -5.7976 -5.7947 -5.5272 -5.5053 -3.4111 -3.3848 -3.3609 -3.3265 -3.3105 -3.2769 -3.2449 -3.0003 -2.7893 -2.7817 -2.7147 -2.7077 -2.6570 -2.6434 -2.6197 -2.6084 -2.5805 -2.5767 -2.2847 -2.1449 0.8592 1.0630 2.4325 2.5751 2.7452 2.9139 3.7405 3.7820 4.4005 4.4607 4.9199 4.9399 7.6084 7.7249 7.8441 7.9855 9.5995 9.6787 10.0364 10.1321 k = 0.2750 0.1588-0.0000 ( 3619 PWs) bands (ev): -5.7825 -5.7793 -5.5225 -5.5003 -3.4103 -3.3841 -3.3581 -3.3218 -3.3039 -3.2677 -3.2432 -2.9968 -2.7856 -2.7770 -2.7087 -2.7059 -2.6557 -2.6428 -2.6166 -2.6028 -2.5778 -2.5702 -2.2779 -2.1360 0.8601 1.0745 2.3580 2.4854 2.6369 2.8318 3.6983 3.7402 4.3537 4.4172 4.8794 4.8998 7.6312 7.7600 7.8353 7.9829 9.6130 9.6757 10.0454 10.1622 k = 0.2875 0.1660-0.0000 ( 3615 PWs) bands (ev): -5.7674 -5.7638 -5.5180 -5.4956 -3.4095 -3.3836 -3.3553 -3.3175 -3.2974 -3.2618 -3.2372 -2.9938 -2.7823 -2.7728 -2.7038 -2.7027 -2.6544 -2.6423 -2.6141 -2.5976 -2.5739 -2.5616 -2.2709 -2.1275 0.8584 1.0818 2.2903 2.3970 2.5336 2.7582 3.6576 3.6999 4.3062 4.3725 4.8396 4.8603 7.6480 7.7851 7.8289 7.9797 9.6146 9.6615 10.0643 10.1979 k = 0.3000 0.1732-0.0000 ( 3615 PWs) bands (ev): -5.7525 -5.7486 -5.5137 -5.4912 -3.4086 -3.3832 -3.3526 -3.3137 -3.2908 -3.2591 -3.2270 -2.9912 -2.7793 -2.7689 -2.7016 -2.6971 -2.6528 -2.6418 -2.6123 -2.5934 -2.5682 -2.5510 -2.2639 -2.1195 0.8541 1.0840 2.2282 2.3096 2.4376 2.6941 3.6186 3.6613 4.2580 4.3266 4.8008 4.8216 7.6592 7.7900 7.8367 7.9767 9.6056 9.6395 10.0921 10.2361 k = 0.3125 0.1804-0.0000 ( 3607 PWs) bands (ev): -5.7378 -5.7335 -5.5096 -5.4871 -3.4077 -3.3829 -3.3500 -3.3105 -3.2844 -3.2576 -3.2147 -2.9893 -2.7767 -2.7655 -2.6991 -2.6917 -2.6512 -2.6414 -2.6109 -2.5902 -2.5606 -2.5385 -2.2569 -2.1122 0.8475 1.0807 2.1684 2.2230 2.3532 2.6398 3.5813 3.6245 4.2093 4.2797 4.7633 4.7841 7.6657 7.7796 7.8544 7.9741 9.5886 9.6126 10.1271 10.2745 k = 0.3250 0.1876-0.0000 ( 3607 PWs) bands (ev): -5.7235 -5.7187 -5.5058 -5.4834 -3.4067 -3.3828 -3.3474 -3.3079 -3.2781 -3.2563 -3.2015 -2.9878 -2.7743 -2.7627 -2.6964 -2.6868 -2.6493 -2.6411 -2.6098 -2.5880 -2.5513 -2.5244 -2.2501 -2.1057 0.8386 1.0719 2.1048 2.1374 2.2870 2.5952 3.5460 3.5896 4.1603 4.2318 4.7275 4.7481 7.6683 7.7655 7.8716 7.9718 9.5660 9.5830 10.1676 10.3117 k = 0.3375 0.1949-0.0000 ( 3597 PWs) bands (ev): -5.7095 -5.7044 -5.5022 -5.4801 -3.4057 -3.3828 -3.3448 -3.3060 -3.2720 -3.2547 -3.1877 -2.9869 -2.7722 -2.7603 -2.6935 -2.6825 -2.6474 -2.6409 -2.6089 -2.5863 -2.5406 -2.5088 -2.2438 -2.1003 0.8280 1.0579 2.0334 2.0534 2.2433 2.5600 3.5127 3.5567 4.1114 4.1833 4.6935 4.7137 7.6678 7.7506 7.8863 7.9699 9.5402 9.5521 10.2121 10.3459 k = 0.3500 0.2021-0.0000 ( 3592 PWs) bands (ev): -5.6959 -5.6905 -5.4989 -5.4773 -3.4047 -3.3829 -3.3423 -3.3047 -3.2662 -3.2526 -3.1738 -2.9866 -2.7704 -2.7584 -2.6904 -2.6786 -2.6454 -2.6407 -2.6080 -2.5851 -2.5286 -2.4919 -2.2379 -2.0960 0.8161 1.0393 1.9558 1.9715 2.2199 2.5332 3.4816 3.5259 4.0627 4.1344 4.6617 4.6811 7.6652 7.7357 7.8983 7.9680 9.5127 9.5210 10.2595 10.3738 k = 0.3625 0.2093-0.0000 ( 3590 PWs) bands (ev): -5.6830 -5.6772 -5.4959 -5.4749 -3.4036 -3.3831 -3.3399 -3.3042 -3.2606 -3.2503 -3.1598 -2.9869 -2.7687 -2.7570 -2.6873 -2.6753 -2.6435 -2.6405 -2.6070 -2.5841 -2.5156 -2.4740 -2.2327 -2.0931 0.8037 1.0172 1.8766 1.8923 2.2119 2.5137 3.4528 3.4973 4.0148 4.0854 4.6321 4.6507 7.6612 7.7213 7.9078 7.9660 9.4848 9.4906 10.3084 10.3920 k = 0.3750 0.2165-0.0000 ( 3596 PWs) bands (ev): -5.6706 -5.6646 -5.4933 -5.4730 -3.4025 -3.3834 -3.3375 -3.3041 -3.2555 -3.2476 -3.1460 -2.9878 -2.7672 -2.7560 -2.6841 -2.6725 -2.6417 -2.6404 -2.6059 -2.5835 -2.5017 -2.4553 -2.2282 -2.0917 0.7914 0.9928 1.7989 1.8164 2.2151 2.5005 3.4265 3.4708 3.9681 4.0368 4.6049 4.6224 7.6563 7.7077 7.9151 7.9638 9.4574 9.4614 10.3549 10.4013 k = 0.3875 0.2237-0.0000 ( 3594 PWs) bands (ev): -5.6590 -5.6529 -5.4909 -5.4715 -3.4014 -3.3838 -3.3352 -3.3045 -3.2507 -3.2448 -3.1324 -2.9893 -2.7659 -2.7553 -2.6810 -2.6701 -2.6403 -2.6402 -2.6047 -2.5830 -2.4870 -2.4364 -2.2244 -2.0919 0.7800 0.9672 1.7247 1.7445 2.2266 2.4923 3.4029 3.4466 3.9231 3.9890 4.5802 4.5964 7.6512 7.6949 7.9207 7.9614 9.4312 9.4339 10.3882 10.4053 k = 0.4000 0.2309-0.0000 ( 3606 PWs) bands (ev): -5.6481 -5.6420 -5.4887 -5.4706 -3.4003 -3.3843 -3.3329 -3.3052 -3.2463 -3.2420 -3.1191 -2.9914 -2.7647 -2.7549 -2.6780 -2.6681 -2.6403 -2.6389 -2.6033 -2.5828 -2.4716 -2.4175 -2.2213 -2.0938 0.7700 0.9414 1.6554 1.6772 2.2442 2.4877 3.3820 3.4247 3.8805 3.9425 4.5580 4.5728 7.6460 7.6832 7.9248 7.9588 9.4068 9.4086 10.4005 10.4064 k = 0.4125 0.2382-0.0000 ( 3602 PWs) bands (ev): -5.6381 -5.6321 -5.4868 -5.4701 -3.3991 -3.3849 -3.3307 -3.3061 -3.2424 -3.2393 -3.1062 -2.9941 -2.7635 -2.7547 -2.6752 -2.6665 -2.6402 -2.6380 -2.6016 -2.5828 -2.4558 -2.3993 -2.2187 -2.0976 0.7621 0.9162 1.5919 1.6151 2.2663 2.4853 3.3641 3.4051 3.8408 3.8981 4.5385 4.5517 7.6413 7.6725 7.9279 7.9560 9.3846 9.3857 10.4033 10.4060 k = 0.4250 0.2454-0.0000 ( 3604 PWs) bands (ev): -5.6291 -5.6234 -5.4851 -5.4700 -3.3979 -3.3856 -3.3285 -3.3073 -3.2390 -3.2368 -3.0938 -2.9976 -2.7625 -2.7548 -2.6726 -2.6651 -2.6401 -2.6375 -2.5998 -2.5830 -2.4398 -2.3825 -2.2160 -2.1032 0.7567 0.8923 1.5353 1.5588 2.2912 2.4839 3.3493 3.3877 3.8049 3.8564 4.5217 4.5332 7.6370 7.6630 7.9301 7.9531 9.3648 9.3654 10.4032 10.4049 k = 0.4375 0.2526-0.0000 ( 3600 PWs) bands (ev): -5.6211 -5.6159 -5.4835 -5.4703 -3.3968 -3.3864 -3.3264 -3.3086 -3.2361 -3.2346 -3.0820 -3.0017 -2.7615 -2.7549 -2.6702 -2.6640 -2.6400 -2.6372 -2.5980 -2.5834 -2.4238 -2.3681 -2.2128 -2.1107 0.7541 0.8699 1.4863 1.5089 2.3178 2.4823 3.3377 3.3724 3.7735 3.8181 4.5076 4.5174 7.6335 7.6546 7.9318 7.9502 9.3477 9.3481 10.4022 10.4033 k = 0.4500 0.2598-0.0000 ( 3594 PWs) bands (ev): -5.6143 -5.6097 -5.4820 -5.4710 -3.3956 -3.3872 -3.3244 -3.3101 -3.2337 -3.2327 -3.0708 -3.0065 -2.7606 -2.7553 -2.6681 -2.6632 -2.6398 -2.6372 -2.5960 -2.5841 -2.4082 -2.3571 -2.2081 -2.1199 0.7545 0.8492 1.4457 1.4661 2.3447 2.4792 3.3294 3.3592 3.7473 3.7843 4.4963 4.5041 7.6309 7.6474 7.9332 7.9475 9.3335 9.3337 10.4009 10.4017 k = 0.4625 0.2670-0.0000 ( 3590 PWs) bands (ev): -5.6086 -5.6050 -5.4805 -5.4720 -3.3945 -3.3881 -3.3224 -3.3116 -3.2318 -3.2312 -3.0603 -3.0120 -2.7598 -2.7557 -2.6663 -2.6627 -2.6396 -2.6374 -2.5941 -2.5850 -2.3933 -2.3504 -2.2013 -2.1306 0.7579 0.8304 1.4142 1.4311 2.3710 2.4738 3.3243 3.3480 3.7271 3.7556 4.4876 4.4936 7.6291 7.6413 7.9344 7.9449 9.3223 9.3224 10.3997 10.4003 k = 0.4750 0.2742-0.0000 ( 3582 PWs) bands (ev): -5.6043 -5.6018 -5.4791 -5.4733 -3.3933 -3.3891 -3.3204 -3.3132 -3.2304 -3.2300 -3.0504 -3.0182 -2.7590 -2.7562 -2.6648 -2.6624 -2.6393 -2.6377 -2.5922 -2.5861 -2.3795 -2.3485 -2.1922 -2.1425 0.7642 0.8132 1.3924 1.4044 2.3957 2.4652 3.3222 3.3388 3.7135 3.7329 4.4818 4.4857 7.6284 7.6365 7.9356 7.9425 9.3143 9.3143 10.3988 10.3992 k = 0.4875 0.2815-0.0000 ( 3582 PWs) bands (ev): -5.6014 -5.6001 -5.4776 -5.4746 -3.3922 -3.3901 -3.3185 -3.3149 -3.2296 -3.2294 -3.0413 -3.0252 -2.7582 -2.7568 -2.6637 -2.6625 -2.6389 -2.6381 -2.5904 -2.5873 -2.3675 -2.3512 -2.1809 -2.1553 0.7731 0.7979 1.3805 1.3868 2.4181 2.4531 3.3229 3.3314 3.7072 3.7170 4.4786 4.4806 7.6287 7.6327 7.9370 7.9404 9.3094 9.3094 10.3982 10.3984 k = 0.5000 0.2887-0.0000 ( 3586 PWs) bands (ev): -5.6000 -5.6000 -5.4761 -5.4761 -3.3911 -3.3911 -3.3167 -3.3167 -3.2292 -3.2292 -3.0329 -3.0329 -2.7575 -2.7575 -2.6629 -2.6629 -2.6385 -2.6385 -2.5888 -2.5888 -2.3578 -2.3578 -2.1684 -2.1684 0.7845 0.7845 1.3787 1.3787 2.4373 2.4373 3.3260 3.3260 3.7083 3.7083 4.4782 4.4782 7.6302 7.6302 7.9386 7.9386 9.3078 9.3078 10.3981 10.3981 k = 0.5000 0.2887-0.0000 ( 3586 PWs) bands (ev): -5.6000 -5.6000 -5.4761 -5.4761 -3.3911 -3.3911 -3.3167 -3.3167 -3.2292 -3.2292 -3.0329 -3.0329 -2.7575 -2.7575 -2.6629 -2.6629 -2.6385 -2.6385 -2.5888 -2.5888 -2.3578 -2.3578 -2.1684 -2.1684 0.7845 0.7845 1.3787 1.3787 2.4373 2.4373 3.3260 3.3260 3.7083 3.7083 4.4782 4.4782 7.6302 7.6302 7.9386 7.9386 9.3078 9.3078 10.3981 10.3981 k = 0.4928 0.3012-0.0000 ( 3586 PWs) bands (ev): -5.5999 -5.5996 -5.4767 -5.4755 -3.3920 -3.3901 -3.3170 -3.3164 -3.2361 -3.2221 -3.0390 -3.0269 -2.7583 -2.7565 -2.6644 -2.6614 -2.6394 -2.6376 -2.5901 -2.5876 -2.3582 -2.3570 -2.1716 -2.1648 0.7826 0.7880 1.3787 1.3790 2.4291 2.4466 3.3103 3.3322 3.7025 3.7115 4.4716 4.4733 7.6304 7.6479 7.9448 7.9486 9.2942 9.3137 10.3803 10.4147 k = 0.4855 0.3138-0.0000 ( 3582 PWs) bands (ev): -5.5993 -5.5987 -5.4773 -5.4749 -3.3928 -3.3888 -3.3172 -3.3161 -3.2427 -3.2148 -3.0452 -3.0213 -2.7588 -2.7554 -2.6659 -2.6598 -2.6401 -2.6365 -2.5914 -2.5863 -2.3581 -2.3558 -2.1743 -2.1607 0.7824 0.7933 1.3790 1.3795 2.4216 2.4570 3.2851 3.3292 3.6941 3.7120 4.4537 4.4571 7.6482 7.6833 7.9669 7.9746 9.2737 9.3114 10.3638 10.4288 k = 0.4783 0.3263-0.0000 ( 3584 PWs) bands (ev): -5.5982 -5.5973 -5.4779 -5.4743 -3.3934 -3.3875 -3.3174 -3.3157 -3.2490 -3.2073 -3.0514 -3.0160 -2.7590 -2.7542 -2.6672 -2.6581 -2.6407 -2.6355 -2.5926 -2.5852 -2.3576 -2.3542 -2.1766 -2.1563 0.7838 0.8003 1.3796 1.3803 2.4146 2.4686 3.2509 3.3179 3.6833 3.7098 4.4251 4.4302 7.6830 7.7357 8.0042 8.0158 9.2469 9.3003 10.3512 10.4404 k = 0.4710 0.3389-0.0000 ( 3594 PWs) bands (ev): -5.5966 -5.5955 -5.4786 -5.4738 -3.3938 -3.3861 -3.3176 -3.3153 -3.2550 -3.1997 -3.0575 -3.0111 -2.7590 -2.7529 -2.6685 -2.6565 -2.6411 -2.6344 -2.5938 -2.5842 -2.3567 -2.3521 -2.1785 -2.1515 0.7868 0.8090 1.3803 1.3812 2.4078 2.4814 3.2082 3.2992 3.6700 3.7048 4.3871 4.3940 7.7338 7.8044 8.0554 8.0708 9.2147 9.2801 10.3452 10.4502 k = 0.4638 0.3514-0.0000 ( 3596 PWs) bands (ev): -5.5946 -5.5932 -5.4792 -5.4733 -3.3940 -3.3845 -3.3176 -3.3150 -3.2607 -3.1920 -3.0634 -3.0067 -2.7586 -2.7516 -2.6696 -2.6550 -2.6413 -2.6333 -2.5950 -2.5832 -2.3553 -2.3497 -2.1800 -2.1464 0.7912 0.8194 1.3813 1.3821 2.4006 2.4953 3.1584 3.2747 3.6544 3.6971 4.3411 4.3498 7.7988 7.8880 8.1192 8.1381 9.1776 9.2512 10.3481 10.4599 k = 0.4565 0.3640-0.0000 ( 3598 PWs) bands (ev): -5.5921 -5.5904 -5.4799 -5.4729 -3.3941 -3.3830 -3.3176 -3.3146 -3.2660 -3.1844 -3.0690 -3.0029 -2.7579 -2.7503 -2.6706 -2.6534 -2.6414 -2.6322 -2.5960 -2.5824 -2.3534 -2.3468 -2.1812 -2.1410 0.7972 0.8315 1.3823 1.3830 2.3927 2.5102 3.1027 3.2460 3.6364 3.6866 4.2887 4.2991 7.8764 7.9853 8.1938 8.2155 9.1367 9.2144 10.3613 10.4713 k = 0.4493 0.3765-0.0000 ( 3586 PWs) bands (ev): -5.5892 -5.5872 -5.4806 -5.4725 -3.3939 -3.3814 -3.3175 -3.3142 -3.2709 -3.1769 -3.0742 -2.9997 -2.7569 -2.7490 -2.6714 -2.6519 -2.6412 -2.6312 -2.5968 -2.5817 -2.3510 -2.3435 -2.1820 -2.1354 0.8045 0.8453 1.3832 1.3837 2.3833 2.5256 3.0429 3.2148 3.6158 3.6733 4.2316 4.2437 7.9643 8.0946 8.2779 8.3011 9.0930 9.1710 10.3856 10.4861 k = 0.4420 0.3891-0.0000 ( 3580 PWs) bands (ev): -5.5860 -5.5836 -5.4814 -5.4722 -3.3937 -3.3799 -3.3172 -3.3137 -3.2755 -3.1696 -3.0789 -2.9972 -2.7556 -2.7478 -2.6721 -2.6505 -2.6409 -2.6303 -2.5975 -2.5811 -2.3481 -2.3398 -2.1827 -2.1298 0.8131 0.8608 1.3840 1.3841 2.3717 2.5406 2.9811 3.1832 3.5928 3.6571 4.1716 4.1851 8.0600 8.2145 8.3697 8.3925 9.0475 9.1228 10.4212 10.5053 k = 0.4348 0.4016-0.0000 ( 3598 PWs) bands (ev): -5.5823 -5.5797 -5.4823 -5.4720 -3.3933 -3.3784 -3.3169 -3.3133 -3.2797 -3.1627 -3.0828 -2.9954 -2.7541 -2.7467 -2.6725 -2.6491 -2.6403 -2.6295 -2.5979 -2.5807 -2.3446 -2.3356 -2.1832 -2.1241 0.8229 0.8779 1.3839 1.3844 2.3575 2.5537 2.9200 3.1531 3.5673 3.6380 4.1102 4.1247 8.1605 8.3431 8.4681 8.4869 9.0021 9.0717 10.4680 10.5297 k = 0.4275 0.4142-0.0000 ( 3606 PWs) bands (ev): -5.5784 -5.5754 -5.4832 -5.4719 -3.3927 -3.3771 -3.3163 -3.3129 -3.2836 -3.1564 -3.0858 -2.9942 -2.7524 -2.7457 -2.6728 -2.6479 -2.6396 -2.6289 -2.5981 -2.5804 -2.3406 -2.3310 -2.1836 -2.1184 0.8337 0.8966 1.3829 1.3844 2.3401 2.5617 2.8641 3.1261 3.5394 3.6159 4.0490 4.0640 8.2628 8.4783 8.5715 8.5807 8.9594 9.0199 10.5255 10.5594 k = 0.4203 0.4267-0.0000 ( 3606 PWs) bands (ev): -5.5741 -5.5709 -5.4843 -5.4720 -3.3920 -3.3759 -3.3157 -3.3124 -3.2871 -3.1510 -3.0875 -2.9938 -2.7506 -2.7448 -2.6728 -2.6467 -2.6387 -2.6285 -2.5980 -2.5803 -2.3361 -2.3260 -2.1841 -2.1129 0.8455 0.9168 1.3811 1.3836 2.3192 2.5592 2.8199 3.1038 3.5092 3.5909 3.9892 4.0039 8.3636 8.6173 8.6677 8.6773 8.9257 8.9706 10.5932 10.5937 k = 0.4130 0.4393-0.0000 ( 3608 PWs) bands (ev): -5.5696 -5.5660 -5.4855 -5.4722 -3.3912 -3.3749 -3.3149 -3.3120 -3.2903 -3.1468 -3.0877 -2.9940 -2.7488 -2.7440 -2.6727 -2.6455 -2.6378 -2.6282 -2.5977 -2.5803 -2.3309 -2.3205 -2.1848 -2.1076 0.8579 0.9384 1.3781 1.3820 2.2949 2.5395 2.7950 3.0870 3.4772 3.5633 3.9319 3.9455 8.4596 8.7231 8.7636 8.7771 8.9188 8.9330 10.6309 10.6703 k = 0.4058 0.4518-0.0000 ( 3616 PWs) bands (ev): -5.5649 -5.5610 -5.4869 -5.4726 -3.3903 -3.3742 -3.3139 -3.3115 -3.2932 -3.1439 -3.0863 -2.9948 -2.7471 -2.7433 -2.6723 -2.6444 -2.6367 -2.6281 -2.5970 -2.5804 -2.3253 -2.3147 -2.1857 -2.1027 0.8709 0.9612 1.3738 1.3793 2.2678 2.5017 2.7913 3.0764 3.4437 3.5335 3.8776 3.8893 8.5469 8.7351 8.8246 8.8991 8.9540 8.9648 10.6689 10.7555 k = 0.3986 0.4644-0.0000 ( 3620 PWs) bands (ev): -5.5600 -5.5558 -5.4884 -5.4732 -3.3893 -3.3736 -3.3129 -3.3110 -3.2957 -3.1422 -3.0834 -2.9963 -2.7455 -2.7427 -2.6718 -2.6434 -2.6357 -2.6281 -2.5962 -2.5807 -2.3191 -2.3085 -2.1870 -2.0982 0.8842 0.9852 1.3681 1.3753 2.2386 2.4520 2.8034 3.0719 3.4094 3.5024 3.8268 3.8359 8.6190 8.7129 8.8098 9.0128 9.0469 9.0617 10.7066 10.8463 k = 0.3913 0.4769-0.0000 ( 3604 PWs) bands (ev): -5.5550 -5.5506 -5.4902 -5.4740 -3.3882 -3.3733 -3.3118 -3.3105 -3.2979 -3.1414 -3.0791 -2.9983 -2.7440 -2.7422 -2.6712 -2.6425 -2.6346 -2.6282 -2.5951 -2.5810 -2.3124 -2.3020 -2.1888 -2.0941 0.8975 1.0102 1.3608 1.3700 2.2087 2.3974 2.8251 3.0732 3.3750 3.4711 3.7793 3.7853 8.6597 8.6815 8.8064 9.0997 9.1505 9.1846 10.7463 10.9258 k = 0.3841 0.4895-0.0000 ( 3596 PWs) bands (ev): -5.5499 -5.5453 -5.4922 -5.4751 -3.3870 -3.3733 -3.3107 -3.3100 -3.2998 -3.1414 -3.0739 -3.0008 -2.7428 -2.7418 -2.6705 -2.6416 -2.6336 -2.6284 -2.5940 -2.5815 -2.3054 -2.2952 -2.1912 -2.0907 0.9106 1.0359 1.3520 1.3631 2.1795 2.3423 2.8526 3.0795 3.3410 3.4406 3.7351 3.7381 8.6496 8.6571 8.8388 9.1788 9.2489 9.3008 10.7935 10.9829 k = 0.3768 0.5020-0.0000 ( 3596 PWs) bands (ev): -5.5447 -5.5401 -5.4944 -5.4764 -3.3858 -3.3734 -3.3097 -3.3095 -3.3014 -3.1417 -3.0681 -3.0039 -2.7418 -2.7414 -2.6697 -2.6408 -2.6327 -2.6286 -2.5927 -2.5820 -2.2981 -2.2882 -2.1943 -2.0879 0.9232 1.0620 1.3416 1.3547 2.1522 2.2895 2.8836 3.0900 3.3081 3.4121 3.6939 3.6943 8.6199 8.6342 8.8863 9.2518 9.3364 9.4006 10.8548 11.0512 k = 0.3696 0.5146-0.0000 ( 3596 PWs) bands (ev): -5.5396 -5.5350 -5.4970 -5.4779 -3.3846 -3.3738 -3.3090 -3.3087 -3.3028 -3.1421 -3.0619 -3.0074 -2.7411 -2.7410 -2.6690 -2.6401 -2.6318 -2.6288 -2.5914 -2.5826 -2.2906 -2.2811 -2.1982 -2.0858 0.9350 1.0880 1.3299 1.3448 2.1283 2.2407 2.9171 3.1034 3.2765 3.3868 3.6545 3.6559 8.5939 8.6080 8.9324 9.3182 9.4100 9.4791 10.9352 11.1375 k = 0.3623 0.5271-0.0000 ( 3596 PWs) bands (ev): -5.5346 -5.5301 -5.4998 -5.4795 -3.3833 -3.3744 -3.3085 -3.3078 -3.3040 -3.1425 -3.0556 -3.0114 -2.7408 -2.7404 -2.6683 -2.6395 -2.6311 -2.6291 -2.5901 -2.5833 -2.2832 -2.2741 -2.2028 -2.0843 0.9456 1.1135 1.3173 1.3337 2.1090 2.1972 2.9520 3.1185 3.2462 3.3653 3.6194 3.6215 8.5722 8.5841 8.9723 9.3774 9.4681 9.5338 11.0368 11.2429 k = 0.3551 0.5397-0.0000 ( 3600 PWs) bands (ev): -5.5296 -5.5257 -5.5030 -5.4812 -3.3820 -3.3751 -3.3080 -3.3071 -3.3049 -3.1428 -3.0493 -3.0158 -2.7406 -2.7401 -2.6678 -2.6390 -2.6304 -2.6293 -2.5889 -2.5839 -2.2760 -2.2676 -2.2080 -2.0834 0.9546 1.1375 1.3048 1.3218 2.0952 2.1599 2.9874 3.1337 3.2172 3.3482 3.5900 3.5916 8.5553 8.5643 9.0041 9.4289 9.5108 9.5655 11.1585 11.3442 k = 0.3478 0.5522-0.0000 ( 3594 PWs) bands (ev): -5.5249 -5.5220 -5.5065 -5.4828 -3.3807 -3.3761 -3.3076 -3.3066 -3.3056 -3.1430 -3.0431 -3.0206 -2.7404 -2.7399 -2.6673 -2.6386 -2.6300 -2.6294 -2.5878 -2.5846 -2.2695 -2.2620 -2.2133 -2.0830 0.9616 1.1582 1.2940 1.3099 2.0878 2.1298 3.0218 3.1467 3.1897 3.3358 3.5674 3.5678 8.5434 8.5493 9.0271 9.4723 9.5396 9.5767 11.2957 11.4082 k = 0.3406 0.5648-0.0000 ( 3596 PWs) bands (ev): -5.5205 -5.5193 -5.5102 -5.4841 -3.3795 -3.3771 -3.3073 -3.3063 -3.3061 -3.1430 -3.0370 -3.0257 -2.7402 -2.7399 -2.6671 -2.6384 -2.6297 -2.6295 -2.5868 -2.5853 -2.2639 -2.2588 -2.2178 -2.0830 0.9662 1.1730 1.2879 1.2989 2.0871 2.1075 3.0518 3.1552 3.1660 3.3280 3.5524 3.5529 8.5368 8.5397 9.0409 9.5062 9.5564 9.5722 11.4383 11.4520 k = 0.3333 0.5774-0.0000 ( 3600 PWs) bands (ev): -5.5181 -5.5181 -5.5127 -5.4845 -3.3783 -3.3783 -3.3071 -3.3062 -3.3062 -3.1431 -3.0312 -3.0312 -2.7400 -2.7400 -2.6670 -2.6383 -2.6295 -2.6295 -2.5861 -2.5861 -2.2596 -2.2596 -2.2196 -2.0830 0.9678 1.1783 1.2901 1.2901 2.0935 2.0935 3.0658 3.1564 3.1564 3.3253 3.5474 3.5474 8.5355 8.5355 9.0455 9.5226 9.5632 9.5632 11.4640 11.5500 k = 0.3333 0.5774-0.0000 ( 3600 PWs) bands (ev): -5.5181 -5.5181 -5.5127 -5.4845 -3.3783 -3.3783 -3.3071 -3.3062 -3.3062 -3.1431 -3.0312 -3.0312 -2.7400 -2.7400 -2.6670 -2.6383 -2.6295 -2.6295 -2.5861 -2.5861 -2.2596 -2.2596 -2.2196 -2.0830 0.9678 1.1783 1.2901 1.2901 2.0935 2.0935 3.0658 3.1564 3.1564 3.3253 3.5474 3.5474 8.5355 8.5355 9.0455 9.5226 9.5632 9.5632 11.4640 11.5500 k = 0.3261 0.5648-0.0000 ( 3596 PWs) bands (ev): -5.5212 -5.5187 -5.5103 -5.4840 -3.3795 -3.3771 -3.3072 -3.3064 -3.3061 -3.1431 -3.0371 -3.0257 -2.7402 -2.7398 -2.6671 -2.6384 -2.6296 -2.6296 -2.5867 -2.5855 -2.2655 -2.2572 -2.2179 -2.0829 0.9661 1.1737 1.2849 1.3018 2.0879 2.1067 3.0517 3.1482 3.1726 3.3283 3.5514 3.5540 8.5369 8.5395 9.0410 9.5045 9.5619 9.5697 11.4526 11.4704 k = 0.3188 0.5522-0.0000 ( 3596 PWs) bands (ev): -5.5263 -5.5210 -5.5067 -5.4825 -3.3808 -3.3759 -3.3073 -3.3067 -3.3058 -3.1431 -3.0433 -3.0204 -2.7405 -2.7397 -2.6673 -2.6387 -2.6298 -2.6295 -2.5874 -2.5851 -2.2755 -2.2569 -2.2139 -2.0823 0.9609 1.1624 1.2844 1.3202 2.0909 2.1267 3.0205 3.1302 3.2035 3.3375 3.5648 3.5716 8.5439 8.5489 9.0279 9.4670 9.5539 9.5790 11.3598 11.4268 k = 0.3116 0.5397-0.0000 ( 3596 PWs) bands (ev): -5.5321 -5.5250 -5.5032 -5.4804 -3.3822 -3.3749 -3.3074 -3.3073 -3.3056 -3.1434 -3.0499 -3.0155 -2.7409 -2.7395 -2.6678 -2.6391 -2.6303 -2.6295 -2.5880 -2.5849 -2.2881 -2.2591 -2.2090 -2.0812 0.9524 1.1480 1.2894 1.3426 2.1020 2.1531 2.9826 3.1041 3.2393 3.3527 3.5869 3.5987 8.5565 8.5636 9.0070 9.4208 9.5399 9.5823 11.2432 11.3819 k = 0.3043 0.5271-0.0000 ( 3608 PWs) bands (ev): -5.5386 -5.5302 -5.5000 -5.4779 -3.3837 -3.3739 -3.3080 -3.3076 -3.3053 -3.1439 -3.0568 -3.0109 -2.7414 -2.7394 -2.6685 -2.6398 -2.6309 -2.6295 -2.5886 -2.5849 -2.3026 -2.2639 -2.2039 -2.0794 0.9413 1.1328 1.3004 1.3678 2.1208 2.1855 2.9415 3.0721 3.2774 3.3735 3.6168 3.6333 8.5745 8.5834 8.9789 9.3690 9.5206 9.5782 11.1238 11.2707 k = 0.2971 0.5146-0.0000 ( 3606 PWs) bands (ev): -5.5456 -5.5364 -5.4971 -5.4754 -3.3852 -3.3730 -3.3089 -3.3078 -3.3050 -3.1447 -3.0640 -3.0066 -2.7419 -2.7393 -2.6693 -2.6406 -2.6316 -2.6295 -2.5892 -2.5852 -2.3186 -2.2714 -2.1992 -2.0769 0.9283 1.1179 1.3176 1.3955 2.1465 2.2234 2.8991 3.0362 3.3171 3.3991 3.6533 3.6737 8.5979 8.6083 8.9448 9.3131 9.4962 9.5667 11.0039 11.1531 k = 0.2899 0.5020-0.0000 ( 3606 PWs) bands (ev): -5.5532 -5.5436 -5.4947 -5.4730 -3.3867 -3.3722 -3.3100 -3.3081 -3.3045 -3.1459 -3.0716 -3.0028 -2.7425 -2.7393 -2.6703 -2.6418 -2.6324 -2.6295 -2.5896 -2.5856 -2.3357 -2.2813 -2.1952 -2.0741 0.9146 1.1044 1.3408 1.4259 2.1779 2.2664 2.8567 2.9980 3.3584 3.4291 3.6954 3.7185 8.6265 8.6380 8.9056 9.2540 9.4670 9.5482 10.8848 11.0340 k = 0.2826 0.4895-0.0000 ( 3606 PWs) bands (ev): -5.5614 -5.5516 -5.4926 -5.4708 -3.3883 -3.3715 -3.3112 -3.3087 -3.3040 -3.1476 -3.0795 -2.9993 -2.7431 -2.7394 -2.6715 -2.6432 -2.6334 -2.6296 -2.5901 -2.5863 -2.3537 -2.2934 -2.1919 -2.0711 0.9009 1.0928 1.3697 1.4593 2.2139 2.3140 2.8156 2.9587 3.4014 3.4631 3.7420 3.7669 8.6600 8.6723 8.8621 9.1926 9.4333 9.5234 10.7674 10.9158 k = 0.2754 0.4769-0.0000 ( 3598 PWs) bands (ev): -5.5702 -5.5604 -5.4909 -5.4689 -3.3898 -3.3709 -3.3125 -3.3094 -3.3033 -3.1499 -3.0878 -2.9962 -2.7438 -2.7395 -2.6729 -2.6450 -2.6344 -2.6297 -2.5904 -2.5871 -2.3723 -2.3074 -2.1896 -2.0683 0.8882 1.0835 1.4044 1.4960 2.2526 2.3657 2.7775 2.9194 3.4462 3.5007 3.7923 3.8181 8.6984 8.7109 8.8151 9.1294 9.3953 9.4929 10.6521 10.7994 k = 0.2681 0.4644-0.0000 ( 3598 PWs) bands (ev): -5.5796 -5.5699 -5.4897 -5.4675 -3.3914 -3.3705 -3.3140 -3.3104 -3.3025 -3.1528 -3.0963 -2.9934 -2.7445 -2.7397 -2.6744 -2.6471 -2.6355 -2.6299 -2.5907 -2.5881 -2.3914 -2.3230 -2.1884 -2.0658 0.8769 1.0768 1.4444 1.5366 2.2919 2.4211 2.7446 2.8808 3.4928 3.5415 3.8457 3.8716 8.7408 8.7535 8.7660 9.0649 9.3534 9.4578 10.5395 10.6854 k = 0.2609 0.4518-0.0000 ( 3598 PWs) bands (ev): -5.5896 -5.5801 -5.4890 -5.4664 -3.3929 -3.3701 -3.3155 -3.3116 -3.3016 -3.1564 -3.1052 -2.9911 -2.7453 -2.7401 -2.6760 -2.6495 -2.6365 -2.6302 -2.5910 -2.5893 -2.4107 -2.3397 -2.1882 -2.0640 0.8676 1.0728 1.4898 1.5811 2.3284 2.4798 2.7205 2.8438 3.5411 3.5851 3.9014 3.9269 8.7132 8.7891 8.7995 8.9995 9.3081 9.4191 10.4298 10.5742 k = 0.2536 0.4393-0.0000 ( 3598 PWs) bands (ev): -5.6002 -5.5910 -5.4887 -5.4658 -3.3944 -3.3699 -3.3172 -3.3130 -3.3007 -3.1607 -3.1144 -2.9891 -2.7462 -2.7405 -2.6778 -2.6522 -2.6376 -2.6306 -2.5912 -2.5905 -2.4300 -2.3573 -2.1892 -2.0629 0.8604 1.0716 1.5403 1.6299 2.3575 2.5410 2.7097 2.8094 3.5910 3.6313 3.9592 3.9837 8.6598 8.8404 8.8482 8.9334 9.2597 9.3779 10.3234 10.4660 k = 0.2464 0.4267-0.0000 ( 3602 PWs) bands (ev): -5.6113 -5.6025 -5.4888 -5.4657 -3.3959 -3.3698 -3.3189 -3.3147 -3.2996 -3.1658 -3.1239 -2.9875 -2.7471 -2.7412 -2.6798 -2.6553 -2.6388 -2.6312 -2.5919 -2.5914 -2.4491 -2.3755 -2.1914 -2.0628 0.8555 1.0730 1.5959 1.6830 2.3748 2.6034 2.7168 2.7792 3.6424 3.6798 4.0185 4.0418 8.6050 8.8661 8.8956 8.8990 9.2089 9.3360 10.2206 10.3612 k = 0.2391 0.4142-0.0000 ( 3602 PWs) bands (ev): -5.6231 -5.6147 -5.4894 -5.4660 -3.3974 -3.3698 -3.3208 -3.3166 -3.2985 -3.1717 -3.1336 -2.9863 -2.7482 -2.7421 -2.6818 -2.6586 -2.6399 -2.6318 -2.5933 -2.5915 -2.4677 -2.3939 -2.1946 -2.0637 0.8529 1.0766 1.6564 1.7405 2.3792 2.6620 2.7434 2.7584 3.6951 3.7302 4.0791 4.1008 8.5494 8.7993 8.9480 8.9539 9.1561 9.2960 10.1215 10.2600 k = 0.2319 0.4016-0.0000 ( 3615 PWs) bands (ev): -5.6354 -5.6274 -5.4905 -5.4668 -3.3988 -3.3700 -3.3227 -3.3187 -3.2973 -3.1784 -3.1436 -2.9855 -2.7494 -2.7432 -2.6840 -2.6623 -2.6410 -2.6326 -2.5947 -2.5917 -2.4857 -2.4124 -2.1990 -2.0657 0.8523 1.0822 1.7216 1.8024 2.3739 2.6910 2.7734 2.7865 3.7489 3.7822 4.1407 4.1606 8.4930 8.7319 8.9909 9.0134 9.1036 9.2637 10.0266 10.1625 k = 0.2246 0.3891-0.0000 ( 3621 PWs) bands (ev): -5.6482 -5.6406 -5.4920 -5.4681 -3.4002 -3.3702 -3.3246 -3.3211 -3.2961 -3.1858 -3.1537 -2.9850 -2.7509 -2.7445 -2.6862 -2.6664 -2.6421 -2.6336 -2.5961 -2.5918 -2.5029 -2.4306 -2.2043 -2.0687 0.8535 1.0890 1.7914 1.8686 2.3642 2.6827 2.8318 2.8416 3.8035 3.8355 4.2029 4.2210 8.4361 8.6642 9.0162 9.0330 9.0924 9.2503 9.9359 10.0691 k = 0.2174 0.3765-0.0000 ( 3621 PWs) bands (ev): -5.6615 -5.6544 -5.4939 -5.4699 -3.4016 -3.3706 -3.3267 -3.3237 -3.2948 -3.1939 -3.1638 -2.9850 -2.7525 -2.7462 -2.6885 -2.6707 -2.6433 -2.6347 -2.5976 -2.5920 -2.5191 -2.4485 -2.2104 -2.0727 0.8560 1.0963 1.8658 1.9390 2.3544 2.6697 2.9017 2.9047 3.8588 3.8899 4.2657 4.2817 8.3787 8.5961 8.9805 9.0118 9.1545 9.2677 9.8500 9.9799 k = 0.2101 0.3640-0.0000 ( 3621 PWs) bands (ev): -5.6752 -5.6687 -5.4962 -5.4721 -3.4029 -3.3711 -3.3288 -3.3265 -3.2936 -3.2026 -3.1740 -2.9852 -2.7544 -2.7482 -2.6909 -2.6753 -2.6444 -2.6360 -2.5990 -2.5922 -2.5342 -2.4657 -2.2173 -2.0778 0.8596 1.1034 1.9444 2.0133 2.3481 2.6602 2.9732 2.9751 3.9146 3.9450 4.3288 4.3426 8.3210 8.5277 8.9220 8.9817 9.2236 9.3119 9.7690 9.8953 k = 0.2029 0.3514-0.0000 ( 3625 PWs) bands (ev): -5.6894 -5.6833 -5.4990 -5.4748 -3.4042 -3.3718 -3.3310 -3.3295 -3.2925 -3.2119 -3.1842 -2.9859 -2.7566 -2.7505 -2.6932 -2.6802 -2.6454 -2.6374 -2.6004 -2.5924 -2.5481 -2.4822 -2.2248 -2.0837 0.8636 1.1094 2.0272 2.0913 2.3476 2.6562 3.0454 3.0503 3.9705 4.0006 4.3919 4.4035 8.2630 8.4588 8.8618 8.9376 9.2949 9.3706 9.6932 9.8156 k = 0.1957 0.3389-0.0000 ( 3627 PWs) bands (ev): -5.7039 -5.6983 -5.5021 -5.4780 -3.4054 -3.3725 -3.3332 -3.3326 -3.2916 -3.2218 -3.1940 -2.9870 -2.7592 -2.7533 -2.6955 -2.6854 -2.6465 -2.6390 -2.6019 -2.5928 -2.5606 -2.4978 -2.2327 -2.0905 0.8675 1.1134 2.1140 2.1720 2.3552 2.6585 3.1203 3.1266 4.0264 4.0565 4.4549 4.4643 8.2045 8.3893 8.8003 8.8866 9.3674 9.4363 9.6231 9.7412 k = 0.1884 0.3263-0.0000 ( 3621 PWs) bands (ev): -5.7187 -5.7136 -5.5055 -5.4815 -3.4065 -3.3733 -3.3360 -3.3355 -3.2909 -3.2320 -3.2035 -2.9884 -2.7621 -2.7564 -2.6978 -2.6907 -2.6475 -2.6406 -2.6033 -2.5936 -2.5716 -2.5123 -2.2409 -2.0979 0.8710 1.1148 2.2045 2.2536 2.3740 2.6680 3.1970 3.2037 4.0821 4.1123 4.5177 4.5248 8.1454 8.3191 8.7378 8.8316 9.4396 9.5036 9.5606 9.6730 k = 0.1812 0.3138-0.0000 ( 3621 PWs) bands (ev): -5.7338 -5.7292 -5.5093 -5.4854 -3.4076 -3.3742 -3.3395 -3.3379 -3.2906 -3.2425 -3.2124 -2.9902 -2.7655 -2.7600 -2.7000 -2.6963 -2.6484 -2.6424 -2.6049 -2.5951 -2.5805 -2.5257 -2.2493 -2.1060 0.8735 1.1130 2.2986 2.3296 2.4111 2.6850 3.2749 3.2810 4.1373 4.1677 4.5799 4.5847 8.0857 8.2480 8.6743 8.7740 9.4968 9.5075 9.5793 9.6147 k = 0.1739 0.3012-0.0000 ( 3623 PWs) bands (ev): -5.7490 -5.7449 -5.5133 -5.4897 -3.4086 -3.3753 -3.3431 -3.3404 -3.2911 -3.2532 -3.2204 -2.9924 -2.7693 -2.7641 -2.7020 -2.7019 -2.6493 -2.6443 -2.6066 -2.5986 -2.5863 -2.5378 -2.2576 -2.1146 0.8747 1.1078 2.3891 2.3960 2.4774 2.7099 3.3535 3.3583 4.1919 4.2227 4.6414 4.6440 8.0251 8.1758 8.6096 8.7142 9.4455 9.5291 9.6076 9.6485 k = 0.1667 0.2887-0.0000 ( 3631 PWs) bands (ev): -5.7644 -5.7608 -5.5176 -5.4943 -3.4096 -3.3764 -3.3468 -3.3429 -3.2924 -3.2640 -3.2272 -2.9950 -2.7735 -2.7685 -2.7076 -2.7040 -2.6502 -2.6462 -2.6085 -2.6042 -2.5888 -2.5485 -2.2659 -2.1237 0.8744 1.0990 2.4398 2.4964 2.5652 2.7430 3.4323 3.4353 4.2457 4.2769 4.7021 4.7025 7.9633 8.1023 8.5437 8.6525 9.3996 9.4872 9.6682 9.7169 k = 0.1594 0.2761-0.0000 ( 3627 PWs) bands (ev): -5.7799 -5.7766 -5.5221 -5.4992 -3.4104 -3.3776 -3.3506 -3.3454 -3.2949 -3.2748 -3.2324 -2.9981 -2.7781 -2.7733 -2.7133 -2.7058 -2.6510 -2.6481 -2.6109 -2.6102 -2.5898 -2.5578 -2.2739 -2.1330 0.8723 1.0869 2.4935 2.5992 2.6620 2.7846 3.5110 3.5116 4.2986 4.3301 4.7600 4.7617 7.9003 8.0274 8.4763 8.5888 9.3601 9.4432 9.7341 9.7822 k = 0.1522 0.2636-0.0000 ( 3629 PWs) bands (ev): -5.7953 -5.7925 -5.5268 -5.5044 -3.4112 -3.3789 -3.3544 -3.3480 -3.2987 -3.2855 -3.2358 -3.0016 -2.7830 -2.7784 -2.7188 -2.7075 -2.6517 -2.6500 -2.6159 -2.6137 -2.5902 -2.5655 -2.2815 -2.1426 0.8685 1.0718 2.5539 2.7035 2.7637 2.8351 3.5871 3.5892 4.3504 4.3822 4.8164 4.8200 7.8356 7.9510 8.4074 8.5229 9.3273 9.4043 9.7970 9.8426 k = 0.1449 0.2510-0.0000 ( 3629 PWs) bands (ev): -5.8107 -5.8082 -5.5316 -5.5097 -3.4120 -3.3803 -3.3583 -3.3507 -3.3037 -3.2960 -3.2376 -3.0055 -2.7882 -2.7837 -2.7242 -2.7092 -2.6524 -2.6518 -2.6211 -2.6170 -2.5904 -2.5716 -2.2887 -2.1523 0.8630 1.0542 2.6213 2.8073 2.8689 2.8964 3.6613 3.6665 4.4011 4.4330 4.8714 4.8768 7.7690 7.8728 8.3365 8.4546 9.3011 9.3718 9.8546 9.8966 k = 0.1377 0.2385-0.0000 ( 3625 PWs) bands (ev): -5.8259 -5.8237 -5.5365 -5.5153 -3.4126 -3.3818 -3.3621 -3.3535 -3.3097 -3.3061 -3.2379 -3.0098 -2.7935 -2.7893 -2.7294 -2.7109 -2.6535 -2.6530 -2.6256 -2.6208 -2.5905 -2.5763 -2.2954 -2.1621 0.8559 1.0346 2.6955 2.9048 2.9731 2.9768 3.7341 3.7427 4.4506 4.4824 4.9248 4.9320 7.7004 7.7927 8.2635 8.3836 9.2817 9.3458 9.9050 9.9426 k = 0.1304 0.2259-0.0000 ( 3621 PWs) bands (ev): -5.8409 -5.8390 -5.5415 -5.5209 -3.4132 -3.3833 -3.3659 -3.3563 -3.3162 -3.3159 -3.2369 -3.0146 -2.7990 -2.7948 -2.7343 -2.7126 -2.6552 -2.6535 -2.6297 -2.6249 -2.5904 -2.5797 -2.3015 -2.1718 0.8474 1.0135 2.7758 2.9911 3.0695 3.0870 3.8053 3.8175 4.4989 4.5303 4.9766 4.9853 7.6293 7.7105 8.1881 8.3095 9.2691 9.3267 9.9466 9.9790 k = 0.1232 0.2134-0.0000 ( 3619 PWs) bands (ev): -5.8555 -5.8539 -5.5465 -5.5267 -3.4137 -3.3850 -3.3696 -3.3592 -3.3252 -3.3230 -3.2351 -3.0198 -2.8045 -2.8004 -2.7389 -2.7144 -2.6568 -2.6540 -2.6333 -2.6290 -2.5902 -2.5821 -2.3070 -2.1816 0.8378 0.9913 2.8615 3.0726 3.1784 3.1990 3.8747 3.8906 4.5460 4.5767 5.0266 5.0366 7.5556 7.6262 8.1101 8.2321 9.2632 9.3145 9.9783 10.0049 k = 0.1159 0.2008-0.0000 ( 3611 PWs) bands (ev): -5.8698 -5.8685 -5.5514 -5.5324 -3.4141 -3.3868 -3.3732 -3.3622 -3.3340 -3.3298 -3.2326 -3.0254 -2.8100 -2.8059 -2.7432 -2.7163 -2.6582 -2.6544 -2.6365 -2.6331 -2.5900 -2.5838 -2.3119 -2.1912 0.8273 0.9686 2.9519 3.1552 3.2925 3.3122 3.9421 3.9618 4.5921 4.6214 5.0745 5.0856 7.4791 7.5396 8.0292 8.1510 9.2640 9.3091 9.9990 10.0198 k = 0.1087 0.1883-0.0000 ( 3619 PWs) bands (ev): -5.8836 -5.8825 -5.5563 -5.5382 -3.4144 -3.3887 -3.3767 -3.3653 -3.3421 -3.3365 -3.2295 -3.0314 -2.8154 -2.8113 -2.7472 -2.7183 -2.6595 -2.6548 -2.6394 -2.6370 -2.5897 -2.5850 -2.3162 -2.2007 0.8162 0.9456 3.0461 3.2407 3.4090 3.4262 4.0076 4.0310 4.6374 4.6648 5.1202 5.1322 7.3997 7.4506 7.9452 8.0662 9.2712 9.3103 10.0085 10.0239 k = 0.1014 0.1757-0.0000 ( 3619 PWs) bands (ev): -5.8969 -5.8960 -5.5610 -5.5438 -3.4146 -3.3907 -3.3799 -3.3687 -3.3494 -3.3428 -3.2259 -3.0378 -2.8206 -2.8165 -2.7507 -2.7204 -2.6606 -2.6551 -2.6421 -2.6405 -2.5894 -2.5857 -2.3198 -2.2099 0.8047 0.9227 3.1432 3.3288 3.5263 3.5404 4.0711 4.0980 4.6821 4.7068 5.1636 5.1762 7.3171 7.3590 7.8583 7.9776 9.2845 9.3180 10.0074 10.0179 k = 0.0942 0.1632-0.0000 ( 3621 PWs) bands (ev): -5.9096 -5.9089 -5.5656 -5.5494 -3.4148 -3.3930 -3.3828 -3.3724 -3.3558 -3.3489 -3.2219 -3.0445 -2.8255 -2.8215 -2.7538 -2.7227 -2.6616 -2.6554 -2.6445 -2.6436 -2.5890 -2.5861 -2.3228 -2.2190 0.7932 0.9003 3.2424 3.4190 3.6436 3.6539 4.1329 4.1627 4.7266 4.7478 5.2045 5.2175 7.2313 7.2648 7.7685 7.8853 9.3035 9.3316 9.9969 10.0031 k = 0.0870 0.1506-0.0000 ( 3609 PWs) bands (ev): -5.9217 -5.9211 -5.5700 -5.5548 -3.4149 -3.3953 -3.3855 -3.3765 -3.3611 -3.3544 -3.2175 -3.0516 -2.8302 -2.8262 -2.7566 -2.7252 -2.6625 -2.6556 -2.6467 -2.6464 -2.5885 -2.5864 -2.3252 -2.2278 0.7818 0.8786 3.3426 3.5102 3.7596 3.7659 4.1932 4.2253 4.7717 4.7883 5.2428 5.2559 7.1422 7.1681 7.6762 7.7896 9.3278 9.3506 9.9788 9.9814 k = 0.0797 0.1381-0.0000 ( 3609 PWs) bands (ev): -5.9330 -5.9325 -5.5741 -5.5601 -3.4149 -3.3978 -3.3879 -3.3809 -3.3656 -3.3596 -3.2128 -3.0588 -2.8346 -2.8306 -2.7589 -2.7278 -2.6632 -2.6558 -2.6487 -2.6487 -2.5881 -2.5864 -2.3269 -2.2364 0.7708 0.8577 3.4427 3.6010 3.8731 3.8753 4.2524 4.2856 4.8179 4.8289 5.2784 5.2914 7.0500 7.0687 7.5819 7.6912 9.3565 9.3743 9.9550 9.9554 k = 0.0725 0.1255-0.0000 ( 3615 PWs) bands (ev): -5.9436 -5.9432 -5.5780 -5.5651 -3.4148 -3.4003 -3.3901 -3.3854 -3.3692 -3.3642 -3.2078 -3.0663 -2.8387 -2.8348 -2.7607 -2.7306 -2.6638 -2.6560 -2.6506 -2.6506 -2.5876 -2.5864 -2.3280 -2.2447 0.7605 0.8379 3.5413 3.6901 3.9809 3.9826 4.3110 4.3436 4.8665 4.8705 5.3112 5.3237 6.9546 6.9668 7.4864 7.5907 9.3886 9.4015 9.9263 9.9293 k = 0.0652 0.1130-0.0000 ( 3611 PWs) bands (ev): -5.9533 -5.9530 -5.5815 -5.5698 -3.4146 -3.4028 -3.3921 -3.3897 -3.3722 -3.3683 -3.2025 -3.0740 -2.8423 -2.8386 -2.7621 -2.7334 -2.6642 -2.6561 -2.6524 -2.6523 -2.5872 -2.5863 -2.3284 -2.2527 0.7508 0.8193 3.6371 3.7755 4.0813 4.0865 4.3692 4.3991 4.9146 4.9186 5.3411 5.3529 6.8563 6.8625 7.3909 7.4892 9.4228 9.4309 9.8976 9.9028 k = 0.0580 0.1004-0.0000 ( 3617 PWs) bands (ev): -5.9621 -5.9619 -5.5847 -5.5742 -3.4145 -3.4052 -3.3940 -3.3938 -3.3748 -3.3719 -3.1970 -3.0818 -2.8456 -2.8421 -2.7631 -2.7363 -2.6645 -2.6563 -2.6540 -2.6535 -2.5867 -2.5861 -2.3284 -2.2603 0.7422 0.8021 3.7285 3.8553 4.1755 4.1833 4.4268 4.4517 4.9629 4.9756 5.3680 5.3789 6.7553 6.7562 7.2966 7.3882 9.4575 9.4609 9.8713 9.8782 k = 0.0507 0.0879-0.0000 ( 3627 PWs) bands (ev): -5.9700 -5.9699 -5.5875 -5.5782 -3.4143 -3.4074 -3.3973 -3.3957 -3.3770 -3.3750 -3.1912 -3.0897 -2.8485 -2.8453 -2.7637 -2.7393 -2.6647 -2.6564 -2.6554 -2.6546 -2.5863 -2.5859 -2.3277 -2.2676 0.7346 0.7862 3.8136 3.9273 4.2623 4.2719 4.4825 4.5004 5.0175 5.0389 5.3920 5.4015 6.6484 6.6523 7.2054 7.2893 9.4896 9.4904 9.8497 9.8578 k = 0.0435 0.0753-0.0000 ( 3629 PWs) bands (ev): -5.9770 -5.9769 -5.5899 -5.5819 -3.4141 -3.4094 -3.4004 -3.3973 -3.3790 -3.3777 -3.1851 -3.0976 -2.8510 -2.8481 -2.7639 -2.7422 -2.6648 -2.6570 -2.6563 -2.6553 -2.5860 -2.5857 -2.3265 -2.2746 0.7282 0.7719 3.8909 3.9899 4.3413 4.3520 4.5339 4.5443 5.0800 5.1090 5.4129 5.4209 6.5399 6.5480 7.1192 7.1944 9.5146 9.5190 9.8348 9.8432 k = 0.0362 0.0628-0.0000 ( 3637 PWs) bands (ev): -5.9829 -5.9828 -5.5918 -5.5851 -3.4140 -3.4111 -3.4027 -3.3988 -3.3806 -3.3799 -3.1788 -3.1055 -2.8531 -2.8505 -2.7636 -2.7451 -2.6647 -2.6582 -2.6565 -2.6559 -2.5856 -2.5855 -2.3247 -2.2812 0.7232 0.7592 3.9588 4.0417 4.4123 4.4236 4.5780 4.5819 5.1509 5.1856 5.4310 5.4369 6.4319 6.4435 7.0404 7.1059 9.5344 9.5409 9.8279 9.8355 k = 0.0290 0.0502-0.0000 ( 3645 PWs) bands (ev): -5.9878 -5.9877 -5.5933 -5.5880 -3.4141 -3.4126 -3.4044 -3.4002 -3.3820 -3.3816 -3.1723 -3.1134 -2.8547 -2.8526 -2.7630 -2.7478 -2.6646 -2.6593 -2.6566 -2.6563 -2.5854 -2.5853 -2.3224 -2.2875 0.7196 0.7481 4.0162 4.0822 4.4748 4.4863 4.6125 4.6128 5.2288 5.2664 5.4464 5.4495 6.3264 6.3407 6.9718 7.0263 9.5481 9.5552 9.8287 9.8344 k = 0.0217 0.0377-0.0000 ( 3645 PWs) bands (ev): -5.9916 -5.9916 -5.5944 -5.5903 -3.4143 -3.4137 -3.4053 -3.4015 -3.3831 -3.3829 -3.1655 -3.1212 -2.8559 -2.8543 -2.7621 -2.7505 -2.6643 -2.6604 -2.6567 -2.6566 -2.5852 -2.5851 -2.3197 -2.2933 0.7174 0.7387 4.0624 4.1114 4.5282 4.5391 4.6353 4.6372 5.3092 5.3473 5.4588 5.4595 6.2272 6.2427 6.9162 6.9585 9.5562 9.5626 9.8348 9.8381 k = 0.0145 0.0251-0.0000 ( 3653 PWs) bands (ev): -5.9944 -5.9944 -5.5949 -5.5922 -3.4147 -3.4145 -3.4055 -3.4027 -3.3839 -3.3839 -3.1585 -3.1290 -2.8567 -2.8556 -2.7608 -2.7530 -2.6639 -2.6613 -2.6568 -2.6568 -2.5850 -2.5850 -2.3164 -2.2988 0.7169 0.7310 4.0974 4.1296 4.5709 4.5800 4.6501 4.6517 5.3839 5.4201 5.4654 5.4717 6.1409 6.1552 6.8762 6.9052 9.5606 9.5652 9.8424 9.8436 k = 0.0072 0.0126-0.0000 ( 3661 PWs) bands (ev): -5.9960 -5.9960 -5.5950 -5.5936 -3.4150 -3.4150 -3.4052 -3.4038 -3.3844 -3.3844 -3.1514 -3.1366 -2.8570 -2.8565 -2.7592 -2.7553 -2.6634 -2.6621 -2.6569 -2.6569 -2.5849 -2.5849 -2.3127 -2.3039 0.7179 0.7249 4.1213 4.1373 4.6009 4.6065 4.6571 4.6576 5.4371 5.4596 5.4816 5.4867 6.0796 6.0889 6.8542 6.8690 9.5629 9.5653 9.8481 9.8483 k = 0.0000 0.0000 0.0000 ( 3657 PWs) bands (ev): -5.9966 -5.9966 -5.5946 -5.5946 -3.4151 -3.4151 -3.4046 -3.4046 -3.3846 -3.3846 -3.1441 -3.1441 -2.8569 -2.8569 -2.7574 -2.7574 -2.6628 -2.6628 -2.6569 -2.6569 -2.5849 -2.5849 -2.3085 -2.3085 0.7206 0.7206 4.1346 4.1346 4.6141 4.6141 4.6586 4.6586 5.4577 5.4577 5.4986 5.4986 6.0599 6.0599 6.8517 6.8517 9.5643 9.5643 9.8501 9.8501 k = 0.0000 0.0000 0.0000 ( 3657 PWs) bands (ev): -5.9966 -5.9966 -5.5946 -5.5946 -3.4151 -3.4151 -3.4046 -3.4046 -3.3846 -3.3846 -3.1441 -3.1441 -2.8569 -2.8569 -2.7574 -2.7574 -2.6628 -2.6628 -2.6569 -2.6569 -2.5849 -2.5849 -2.3085 -2.3085 0.7206 0.7206 4.1346 4.1346 4.6141 4.6141 4.6586 4.6586 5.4577 5.4577 5.4986 5.4986 6.0599 6.0599 6.8517 6.8517 9.5643 9.5643 9.8501 9.8501 k = 0.0000 0.0000 0.0145 ( 3663 PWs) bands (ev): -5.9960 -5.9960 -5.5951 -5.5951 -3.4151 -3.4151 -3.4044 -3.4044 -3.3846 -3.3846 -3.1445 -3.1445 -2.8568 -2.8568 -2.7574 -2.7574 -2.6628 -2.6628 -2.6568 -2.6568 -2.5850 -2.5850 -2.3101 -2.3101 0.7256 0.7256 4.1355 4.1355 4.6079 4.6079 4.6596 4.6596 5.4340 5.4340 5.4973 5.4973 6.0869 6.0869 6.8529 6.8529 9.5651 9.5651 9.8511 9.8511 k = 0.0000 0.0000 0.0291 ( 3651 PWs) bands (ev): -5.9943 -5.9943 -5.5966 -5.5966 -3.4150 -3.4150 -3.4037 -3.4037 -3.3848 -3.3848 -3.1458 -3.1458 -2.8563 -2.8563 -2.7575 -2.7575 -2.6625 -2.6625 -2.6565 -2.6565 -2.5853 -2.5853 -2.3149 -2.3149 0.7406 0.7406 4.1385 4.1385 4.5887 4.5887 4.6627 4.6627 5.3739 5.3739 5.4932 5.4932 6.1570 6.1570 6.8565 6.8565 9.5674 9.5674 9.8540 9.8540 k = 0.0000 0.0000 0.0436 ( 3663 PWs) bands (ev): -5.9914 -5.9914 -5.5992 -5.5992 -3.4148 -3.4148 -3.4025 -3.4025 -3.3850 -3.3850 -3.1480 -3.1480 -2.8556 -2.8556 -2.7576 -2.7576 -2.6621 -2.6621 -2.6560 -2.6560 -2.5858 -2.5858 -2.3227 -2.3227 0.7655 0.7655 4.1433 4.1433 4.5555 4.5555 4.6678 4.6678 5.2967 5.2967 5.4864 5.4864 6.2520 6.2520 6.8625 6.8625 9.5712 9.5712 9.8589 9.8589 k = 0.0000 0.0000 0.0582 ( 3651 PWs) bands (ev): -5.9873 -5.9873 -5.6028 -5.6028 -3.4145 -3.4145 -3.4008 -3.4008 -3.3853 -3.3853 -3.1511 -3.1511 -2.8545 -2.8545 -2.7578 -2.7578 -2.6616 -2.6616 -2.6552 -2.6552 -2.5864 -2.5864 -2.3332 -2.3332 0.8000 0.8000 4.1501 4.1501 4.5070 4.5070 4.6749 4.6749 5.2164 5.2164 5.4769 5.4769 6.3589 6.3589 6.8708 6.8708 9.5765 9.5765 9.8658 9.8658 k = 0.0000 0.0000 0.0727 ( 3651 PWs) bands (ev): -5.9822 -5.9822 -5.6075 -5.6075 -3.4142 -3.4142 -3.3986 -3.3986 -3.3857 -3.3857 -3.1549 -3.1549 -2.8531 -2.8531 -2.7581 -2.7581 -2.6609 -2.6609 -2.6543 -2.6543 -2.5873 -2.5873 -2.3463 -2.3463 0.8437 0.8437 4.1588 4.1588 4.4419 4.4419 4.6840 4.6840 5.1407 5.1407 5.4649 5.4649 6.4707 6.4707 6.8815 6.8815 9.5831 9.5831 9.8746 9.8746 k = 0.0000 0.0000 0.0873 ( 3652 PWs) bands (ev): -5.9760 -5.9760 -5.6131 -5.6131 -3.4138 -3.4138 -3.3959 -3.3959 -3.3863 -3.3863 -3.1597 -3.1597 -2.8515 -2.8515 -2.7585 -2.7585 -2.6600 -2.6600 -2.6532 -2.6532 -2.5884 -2.5884 -2.3614 -2.3614 0.8963 0.8963 4.1693 4.1693 4.3605 4.3605 4.6950 4.6950 5.0732 5.0732 5.4504 5.4504 6.5830 6.5830 6.8945 6.8945 9.5912 9.5912 9.8855 9.8855 k = 0.0000 0.0000 0.1018 ( 3616 PWs) bands (ev): -5.9687 -5.9687 -5.6197 -5.6197 -3.4133 -3.4133 -3.3927 -3.3927 -3.3869 -3.3869 -3.1651 -3.1651 -2.8495 -2.8495 -2.7590 -2.7590 -2.6589 -2.6589 -2.6519 -2.6519 -2.5896 -2.5896 -2.3782 -2.3782 0.9571 0.9571 4.1817 4.1817 4.2642 4.2642 4.7080 4.7080 5.0146 5.0146 5.4336 5.4336 6.6930 6.6930 6.9098 6.9098 9.6008 9.6008 9.8984 9.8984 k = 0.0000 0.0000 0.1164 ( 3628 PWs) bands (ev): -5.9605 -5.9605 -5.6272 -5.6272 -3.4128 -3.4128 -3.3890 -3.3890 -3.3875 -3.3875 -3.1714 -3.1714 -2.8472 -2.8472 -2.7596 -2.7596 -2.6576 -2.6576 -2.6505 -2.6505 -2.5910 -2.5910 -2.3963 -2.3963 1.0259 1.0259 4.1555 4.1555 4.1958 4.1958 4.7228 4.7228 4.9639 4.9639 5.4146 5.4146 6.7985 6.7985 6.9272 6.9272 9.6121 9.6121 9.8970 9.8970 k = 0.0000 0.0000 0.1309 ( 3634 PWs) bands (ev): -5.9512 -5.9512 -5.6356 -5.6356 -3.4122 -3.4122 -3.3883 -3.3883 -3.3847 -3.3847 -3.1784 -3.1784 -2.8445 -2.8445 -2.7605 -2.7605 -2.6560 -2.6560 -2.6489 -2.6489 -2.5926 -2.5926 -2.4152 -2.4152 1.1020 1.1020 4.0373 4.0373 4.2117 4.2117 4.7394 4.7394 4.9191 4.9191 5.3936 5.3936 6.8974 6.8974 6.9467 6.9467 9.6259 9.6259 9.8833 9.8833 k = 0.0000 0.0000 0.1455 ( 3616 PWs) bands (ev): -5.9411 -5.9411 -5.6450 -5.6450 -3.4115 -3.4115 -3.3891 -3.3891 -3.3800 -3.3800 -3.1860 -3.1860 -2.8416 -2.8416 -2.7615 -2.7615 -2.6542 -2.6542 -2.6471 -2.6471 -2.5943 -2.5943 -2.4346 -2.4346 1.1849 1.1849 3.9120 3.9120 4.2293 4.2293 4.7577 4.7577 4.8786 4.8786 5.3707 5.3707 6.9682 6.9682 6.9880 6.9880 9.6433 9.6433 9.8768 9.8768 k = 0.0000 0.0000 0.1600 ( 3634 PWs) bands (ev): -5.9301 -5.9301 -5.6551 -5.6551 -3.4107 -3.4107 -3.3900 -3.3900 -3.3747 -3.3747 -3.1943 -3.1943 -2.8384 -2.8384 -2.7628 -2.7628 -2.6522 -2.6522 -2.6451 -2.6451 -2.5962 -2.5962 -2.4541 -2.4541 1.2743 1.2743 3.7817 3.7817 4.2485 4.2485 4.7777 4.7777 4.8410 4.8410 5.3461 5.3461 6.9915 6.9915 7.0688 7.0688 9.6659 9.6659 9.8780 9.8780 k = 0.0000 0.0000 0.1746 ( 3622 PWs) bands (ev): -5.9184 -5.9184 -5.6661 -5.6661 -3.4099 -3.4099 -3.3909 -3.3909 -3.3689 -3.3689 -3.2031 -3.2031 -2.8348 -2.8348 -2.7644 -2.7644 -2.6498 -2.6498 -2.6431 -2.6431 -2.5982 -2.5982 -2.4734 -2.4734 1.3694 1.3694 3.6480 3.6480 4.2692 4.2692 4.7993 4.7993 4.8053 4.8053 5.3199 5.3199 7.0165 7.0165 7.1384 7.1384 9.6953 9.6953 9.8871 9.8871 k = 0.0000 0.0000 0.1891 ( 3622 PWs) bands (ev): -5.9059 -5.9059 -5.6778 -5.6778 -3.4091 -3.4091 -3.3919 -3.3919 -3.3625 -3.3625 -3.2123 -3.2123 -2.8310 -2.8310 -2.7662 -2.7662 -2.6470 -2.6470 -2.6409 -2.6409 -2.6003 -2.6003 -2.4922 -2.4922 1.4701 1.4701 3.5120 3.5120 4.2914 4.2914 4.7707 4.7707 4.8224 4.8224 5.2924 5.2924 7.0430 7.0430 7.1959 7.1959 9.7328 9.7328 9.9042 9.9042 k = 0.0000 0.0000 0.2037 ( 3622 PWs) bands (ev): -5.8928 -5.8928 -5.6902 -5.6902 -3.4082 -3.4082 -3.3929 -3.3929 -3.3556 -3.3556 -3.2220 -3.2220 -2.8269 -2.8269 -2.7685 -2.7685 -2.6439 -2.6439 -2.6386 -2.6386 -2.6026 -2.6026 -2.5101 -2.5101 1.5757 1.5757 3.3747 3.3747 4.3150 4.3150 4.7369 4.7369 4.8469 4.8469 5.2638 5.2638 7.0708 7.0708 7.2409 7.2409 9.7785 9.7785 9.9301 9.9301 k = 0.0000 0.0000 0.2182 ( 3622 PWs) bands (ev): -5.8791 -5.8791 -5.7032 -5.7032 -3.4072 -3.4072 -3.3940 -3.3940 -3.3482 -3.3482 -3.2321 -3.2321 -2.8225 -2.8225 -2.7710 -2.7710 -2.6402 -2.6402 -2.6362 -2.6362 -2.6049 -2.6049 -2.5271 -2.5271 1.6858 1.6858 3.2368 3.2368 4.3398 4.3398 4.7036 4.7036 4.8727 4.8727 5.2343 5.2343 7.0995 7.0995 7.2735 7.2735 9.8301 9.8301 9.9670 9.9670 k = 0.0000 0.0000 0.2327 ( 3628 PWs) bands (ev): -5.8650 -5.8650 -5.7168 -5.7168 -3.4062 -3.4062 -3.3951 -3.3951 -3.3403 -3.3403 -3.2423 -3.2423 -2.8180 -2.8180 -2.7740 -2.7740 -2.6360 -2.6360 -2.6337 -2.6337 -2.6074 -2.6074 -2.5430 -2.5430 1.8002 1.8002 3.0987 3.0987 4.3659 4.3659 4.6707 4.6707 4.8997 4.8997 5.2040 5.2040 7.1287 7.1287 7.2943 7.2943 9.8825 9.8825 10.0197 10.0197 k = 0.0000 0.0000 0.2473 ( 3640 PWs) bands (ev): -5.8504 -5.8504 -5.7308 -5.7308 -3.4052 -3.4052 -3.3962 -3.3962 -3.3319 -3.3319 -3.2527 -3.2527 -2.8132 -2.8132 -2.7773 -2.7773 -2.6312 -2.6312 -2.6311 -2.6311 -2.6099 -2.6099 -2.5576 -2.5576 1.9184 1.9184 2.9611 2.9611 4.3931 4.3931 4.6380 4.6380 4.9277 4.9277 5.1731 5.1731 7.1581 7.1581 7.3043 7.3043 9.9310 9.9310 10.0920 10.0920 k = 0.0000 0.0000 0.2618 ( 3640 PWs) bands (ev): -5.8356 -5.8356 -5.7453 -5.7453 -3.4041 -3.4041 -3.3974 -3.3974 -3.3230 -3.3230 -3.2632 -3.2632 -2.8084 -2.8084 -2.7810 -2.7810 -2.6285 -2.6285 -2.6256 -2.6256 -2.6125 -2.6125 -2.5710 -2.5710 2.0400 2.0400 2.8243 2.8243 4.4213 4.4213 4.6056 4.6056 4.9567 4.9567 5.1419 5.1419 7.1871 7.1871 7.3048 7.3048 9.9749 9.9749 10.1785 10.1785 k = 0.0000 0.0000 0.2764 ( 3658 PWs) bands (ev): -5.8206 -5.8206 -5.7600 -5.7600 -3.4031 -3.4031 -3.3985 -3.3985 -3.3138 -3.3138 -3.2737 -3.2737 -2.8036 -2.8036 -2.7851 -2.7851 -2.6258 -2.6258 -2.6191 -2.6191 -2.6151 -2.6151 -2.5830 -2.5830 2.1648 2.1648 2.6887 2.6887 4.4504 4.4504 4.5736 4.5736 4.9865 4.9865 5.1105 5.1105 7.2149 7.2149 7.2973 7.2973 10.0167 10.0167 10.1859 10.1859 k = 0.0000 0.0000 0.2909 ( 3652 PWs) bands (ev): -5.8054 -5.8054 -5.7750 -5.7750 -3.4019 -3.4019 -3.3997 -3.3997 -3.3042 -3.3042 -3.2840 -3.2840 -2.7987 -2.7987 -2.7894 -2.7894 -2.6232 -2.6232 -2.6178 -2.6178 -2.6118 -2.6118 -2.5938 -2.5938 2.2924 2.2924 2.5547 2.5547 4.4802 4.4802 4.5419 4.5419 5.0169 5.0169 5.0790 5.0790 7.2409 7.2409 7.2833 7.2833 10.0580 10.0580 10.1424 10.1424 k = 0.0000 0.0000 0.3055 ( 3652 PWs) bands (ev): -5.7902 -5.7902 -5.7902 -5.7902 -3.4008 -3.4008 -3.4008 -3.4008 -3.2942 -3.2942 -3.2942 -3.2942 -2.7940 -2.7940 -2.7940 -2.7940 -2.6205 -2.6205 -2.6205 -2.6205 -2.6034 -2.6034 -2.6034 -2.6034 2.4224 2.4224 2.4224 2.4224 4.5108 4.5108 4.5108 4.5108 5.0478 5.0478 5.0478 5.0478 7.2640 7.2640 7.2640 7.2640 10.0998 10.0998 10.0998 10.0998 k = 0.0000 0.0000 0.3055 ( 3652 PWs) bands (ev): -5.7902 -5.7902 -5.7902 -5.7902 -3.4008 -3.4008 -3.4008 -3.4008 -3.2942 -3.2942 -3.2942 -3.2942 -2.7940 -2.7940 -2.7940 -2.7940 -2.6205 -2.6205 -2.6205 -2.6205 -2.6034 -2.6034 -2.6034 -2.6034 2.4224 2.4224 2.4224 2.4224 4.5108 4.5108 4.5108 4.5108 5.0478 5.0478 5.0478 5.0478 7.2640 7.2640 7.2640 7.2640 10.0998 10.0998 10.0998 10.0998 k = 0.0125 0.0072 0.3055 ( 3644 PWs) bands (ev): -5.7900 -5.7900 -5.7895 -5.7895 -3.4007 -3.4007 -3.4007 -3.4007 -3.2977 -3.2977 -3.2905 -3.2905 -2.7949 -2.7949 -2.7927 -2.7927 -2.6207 -2.6207 -2.6206 -2.6206 -2.6052 -2.6052 -2.6009 -2.6009 2.4177 2.4177 2.4259 2.4259 4.4976 4.4976 4.5154 4.5154 5.0421 5.0421 5.0422 5.0422 7.2648 7.2648 7.2808 7.2808 10.0911 10.0911 10.0983 10.0983 k = 0.0250 0.0144 0.3055 ( 3636 PWs) bands (ev): -5.7891 -5.7891 -5.7880 -5.7880 -3.4003 -3.4003 -3.4002 -3.4002 -3.3008 -3.3008 -3.2866 -3.2866 -2.7954 -2.7954 -2.7911 -2.7911 -2.6213 -2.6213 -2.6209 -2.6209 -2.6062 -2.6062 -2.5980 -2.5980 2.4118 2.4118 2.4282 2.4282 4.4758 4.4758 4.5117 4.5117 5.0252 5.0252 5.0262 5.0262 7.2828 7.2828 7.3143 7.3143 10.0685 10.0685 10.0839 10.0839 k = 0.0375 0.0217 0.3055 ( 3636 PWs) bands (ev): -5.7873 -5.7873 -5.7857 -5.7857 -3.3996 -3.3996 -3.3995 -3.3995 -3.3037 -3.3037 -3.2825 -3.2825 -2.7954 -2.7954 -2.7891 -2.7891 -2.6224 -2.6224 -2.6213 -2.6213 -2.6065 -2.6065 -2.5947 -2.5947 2.4044 2.4044 2.4291 2.4291 4.4453 4.4453 4.4995 4.4995 4.9984 4.9984 5.0013 5.0013 7.3167 7.3167 7.3630 7.3630 10.0285 10.0285 10.0512 10.0512 k = 0.0500 0.0289 0.3055 ( 3636 PWs) bands (ev): -5.7847 -5.7847 -5.7826 -5.7826 -3.3987 -3.3987 -3.3985 -3.3985 -3.3064 -3.3064 -3.2781 -3.2781 -2.7951 -2.7951 -2.7869 -2.7869 -2.6239 -2.6239 -2.6218 -2.6218 -2.6060 -2.6060 -2.5910 -2.5910 2.3956 2.3956 2.4286 2.4286 4.4062 4.4062 4.4790 4.4790 4.9633 4.9633 4.9696 4.9696 7.3646 7.3646 7.4246 7.4246 9.9738 9.9738 10.0016 10.0016 k = 0.0625 0.0361 0.3055 ( 3638 PWs) bands (ev): -5.7814 -5.7814 -5.7787 -5.7787 -3.3976 -3.3976 -3.3971 -3.3971 -3.3087 -3.3087 -3.2735 -3.2735 -2.7943 -2.7943 -2.7843 -2.7843 -2.6257 -2.6257 -2.6221 -2.6221 -2.6050 -2.6050 -2.5870 -2.5870 2.3851 2.3851 2.4264 2.4264 4.3590 4.3590 4.4504 4.4504 4.9224 4.9224 4.9331 4.9331 7.4238 7.4238 7.4967 7.4967 9.9107 9.9107 9.9423 9.9423 k = 0.0750 0.0433 0.3055 ( 3638 PWs) bands (ev): -5.7772 -5.7772 -5.7741 -5.7741 -3.3963 -3.3963 -3.3955 -3.3955 -3.3107 -3.3107 -3.2687 -3.2687 -2.7931 -2.7931 -2.7815 -2.7815 -2.6275 -2.6275 -2.6225 -2.6225 -2.6035 -2.6035 -2.5826 -2.5826 2.3725 2.3725 2.4223 2.4223 4.3044 4.3044 4.4138 4.4138 4.8778 4.8778 4.8936 4.8936 7.4916 7.4916 7.5763 7.5763 9.8445 9.8445 9.8793 9.8793 k = 0.0875 0.0505 0.3055 ( 3646 PWs) bands (ev): -5.7724 -5.7724 -5.7687 -5.7687 -3.3948 -3.3948 -3.3936 -3.3936 -3.3124 -3.3124 -3.2636 -3.2636 -2.7915 -2.7915 -2.7785 -2.7785 -2.6293 -2.6293 -2.6227 -2.6227 -2.6017 -2.6017 -2.5780 -2.5780 2.3577 2.3577 2.4159 2.4159 4.2436 4.2436 4.3699 4.3699 4.8314 4.8314 4.8524 4.8524 7.5650 7.5650 7.6607 7.6607 9.7786 9.7786 9.8165 9.8165 k = 0.1000 0.0577 0.3055 ( 3642 PWs) bands (ev): -5.7668 -5.7668 -5.7627 -5.7627 -3.3932 -3.3932 -3.3915 -3.3915 -3.3137 -3.3137 -3.2584 -3.2584 -2.7894 -2.7894 -2.7753 -2.7753 -2.6310 -2.6310 -2.6229 -2.6229 -2.5995 -2.5995 -2.5731 -2.5731 2.3403 2.3403 2.4068 2.4068 4.1781 4.1781 4.3198 4.3198 4.7848 4.7848 4.8103 4.8103 7.6409 7.6409 7.7469 7.7469 9.7156 9.7156 9.7566 9.7566 k = 0.1125 0.0650 0.3055 ( 3634 PWs) bands (ev): -5.7606 -5.7606 -5.7560 -5.7560 -3.3915 -3.3915 -3.3892 -3.3892 -3.3146 -3.3146 -3.2530 -3.2530 -2.7868 -2.7868 -2.7720 -2.7720 -2.6327 -2.6327 -2.6229 -2.6229 -2.5969 -2.5969 -2.5678 -2.5678 2.3199 2.3199 2.3945 2.3945 4.1095 4.1095 4.2647 4.2647 4.7387 4.7387 4.7678 4.7678 7.7165 7.7165 7.8320 7.8320 9.6576 9.6576 9.7014 9.7014 k = 0.1250 0.0722 0.3055 ( 3638 PWs) bands (ev): -5.7537 -5.7537 -5.7487 -5.7487 -3.3896 -3.3896 -3.3867 -3.3867 -3.3150 -3.3150 -3.2473 -3.2473 -2.7839 -2.7839 -2.7685 -2.7685 -2.6342 -2.6342 -2.6229 -2.6229 -2.5940 -2.5940 -2.5621 -2.5621 2.2960 2.2960 2.3784 2.3784 4.0396 4.0396 4.2065 4.2065 4.6935 4.6935 4.7253 4.7253 7.7888 7.7888 7.9127 7.9127 9.6068 9.6068 9.6528 9.6528 k = 0.1375 0.0794 0.3055 ( 3634 PWs) bands (ev): -5.7463 -5.7463 -5.7408 -5.7408 -3.3877 -3.3877 -3.3841 -3.3841 -3.3149 -3.3149 -3.2415 -3.2415 -2.7805 -2.7805 -2.7650 -2.7650 -2.6356 -2.6356 -2.6227 -2.6227 -2.5906 -2.5906 -2.5560 -2.5560 2.2683 2.2683 2.3580 2.3580 3.9702 3.9702 4.1468 4.1468 4.6492 4.6492 4.6829 4.6829 7.8549 7.8549 7.9859 7.9859 9.5649 9.5649 9.6120 9.6120 k = 0.1500 0.0866 0.3055 ( 3634 PWs) bands (ev): -5.7383 -5.7383 -5.7324 -5.7324 -3.3858 -3.3858 -3.3814 -3.3814 -3.3143 -3.3143 -3.2356 -3.2356 -2.7768 -2.7768 -2.7615 -2.7615 -2.6368 -2.6368 -2.6223 -2.6223 -2.5869 -2.5869 -2.5495 -2.5495 2.2364 2.2364 2.3326 2.3326 3.9030 3.9030 4.0874 4.0874 4.6058 4.6058 4.6406 4.6406 7.9123 7.9123 8.0486 8.0486 9.5334 9.5334 9.5799 9.5799 k = 0.1625 0.0938 0.3055 ( 3638 PWs) bands (ev): -5.7298 -5.7298 -5.7236 -5.7236 -3.3838 -3.3838 -3.3789 -3.3789 -3.3129 -3.3129 -3.2295 -3.2295 -2.7728 -2.7728 -2.7580 -2.7580 -2.6379 -2.6379 -2.6219 -2.6219 -2.5826 -2.5826 -2.5425 -2.5425 2.1999 2.1999 2.3016 2.3016 3.8395 3.8395 4.0297 4.0297 4.5632 4.5632 4.5985 4.5985 7.9588 7.9588 8.0980 8.0980 9.5131 9.5131 9.5570 9.5570 k = 0.1750 0.1010 0.3055 ( 3628 PWs) bands (ev): -5.7209 -5.7209 -5.7143 -5.7143 -3.3818 -3.3818 -3.3764 -3.3764 -3.3109 -3.3109 -3.2233 -3.2233 -2.7685 -2.7685 -2.7546 -2.7546 -2.6387 -2.6387 -2.6213 -2.6213 -2.5777 -2.5777 -2.5351 -2.5351 2.1587 2.1587 2.2646 2.2646 3.7809 3.7809 3.9750 3.9750 4.5213 4.5213 4.5567 4.5567 7.9929 7.9929 8.1326 8.1326 9.5037 9.5037 9.5425 9.5425 k = 0.1875 0.1083 0.3055 ( 3622 PWs) bands (ev): -5.7116 -5.7116 -5.7047 -5.7047 -3.3799 -3.3799 -3.3742 -3.3742 -3.3080 -3.3080 -3.2170 -3.2170 -2.7639 -2.7639 -2.7512 -2.7512 -2.6394 -2.6394 -2.6205 -2.6205 -2.5723 -2.5723 -2.5271 -2.5271 2.1126 2.1126 2.2214 2.2214 3.7281 3.7281 3.9243 3.9243 4.4801 4.4801 4.5154 4.5154 8.0142 8.0142 8.1516 8.1516 9.5035 9.5035 9.5350 9.5350 k = 0.2000 0.1155 0.3055 ( 3610 PWs) bands (ev): -5.7020 -5.7020 -5.6948 -5.6948 -3.3780 -3.3780 -3.3722 -3.3722 -3.3044 -3.3044 -3.2106 -3.2106 -2.7593 -2.7593 -2.7480 -2.7480 -2.6398 -2.6398 -2.6197 -2.6197 -2.5661 -2.5661 -2.5185 -2.5185 2.0616 2.0616 2.1717 2.1717 3.6819 3.6819 3.8782 3.8782 4.4395 4.4395 4.4745 4.4745 8.0230 8.0230 8.1559 8.1559 9.5093 9.5093 9.5319 9.5319 k = 0.2125 0.1227 0.3055 ( 3618 PWs) bands (ev): -5.6921 -5.6921 -5.6847 -5.6847 -3.3761 -3.3761 -3.3705 -3.3705 -3.3000 -3.3000 -3.2042 -3.2042 -2.7546 -2.7546 -2.7450 -2.7450 -2.6400 -2.6400 -2.6187 -2.6187 -2.5591 -2.5591 -2.5093 -2.5093 2.0060 2.0060 2.1160 2.1160 3.6425 3.6425 3.8371 3.8371 4.3998 4.3998 4.4343 4.4343 8.0204 8.0204 8.1472 8.1472 9.5172 9.5172 9.5305 9.5305 k = 0.2250 0.1299 0.3055 ( 3620 PWs) bands (ev): -5.6820 -5.6820 -5.6745 -5.6745 -3.3743 -3.3743 -3.3690 -3.3690 -3.2948 -3.2948 -3.1979 -3.1979 -2.7499 -2.7499 -2.7421 -2.7421 -2.6399 -2.6399 -2.6176 -2.6176 -2.5512 -2.5512 -2.4995 -2.4995 1.9460 1.9460 2.0545 2.0545 3.6099 3.6099 3.8012 3.8012 4.3609 4.3609 4.3949 4.3949 8.0082 8.0082 8.1280 8.1280 9.5233 9.5233 9.5279 9.5279 k = 0.2375 0.1371 0.3055 ( 3616 PWs) bands (ev): -5.6718 -5.6718 -5.6641 -5.6641 -3.3726 -3.3726 -3.3678 -3.3678 -3.2889 -3.2889 -3.1916 -3.1916 -2.7453 -2.7453 -2.7394 -2.7394 -2.6396 -2.6396 -2.6164 -2.6164 -2.5425 -2.5425 -2.4891 -2.4891 1.8822 1.8822 1.9879 1.9879 3.5838 3.5838 3.7704 3.7704 4.3231 4.3231 4.3565 4.3565 7.9881 7.9881 8.1005 8.1005 9.5217 9.5217 9.5247 9.5247 k = 0.2500 0.1443 0.3055 ( 3612 PWs) bands (ev): -5.6615 -5.6615 -5.6537 -5.6537 -3.3710 -3.3710 -3.3668 -3.3668 -3.2824 -3.2824 -3.1854 -3.1854 -2.7410 -2.7410 -2.7370 -2.7370 -2.6391 -2.6391 -2.6152 -2.6152 -2.5327 -2.5327 -2.4781 -2.4781 1.8151 1.8151 1.9170 1.9170 3.5636 3.5636 3.7444 3.7444 4.2866 4.2866 4.3192 4.3192 7.9620 7.9620 8.0671 8.0671 9.5105 9.5105 9.5193 9.5193 k = 0.2625 0.1516 0.3055 ( 3612 PWs) bands (ev): -5.6513 -5.6513 -5.6434 -5.6434 -3.3695 -3.3695 -3.3660 -3.3660 -3.2754 -3.2754 -3.1794 -3.1794 -2.7369 -2.7369 -2.7347 -2.7347 -2.6383 -2.6383 -2.6139 -2.6139 -2.5219 -2.5219 -2.4664 -2.4664 1.7454 1.7454 1.8429 1.8429 3.5488 3.5488 3.7228 3.7228 4.2514 4.2514 4.2833 4.2833 7.9316 7.9316 8.0296 8.0296 9.4939 9.4939 9.5067 9.5067 k = 0.2750 0.1588 0.3055 ( 3610 PWs) bands (ev): -5.6411 -5.6411 -5.6332 -5.6332 -3.3681 -3.3681 -3.3653 -3.3653 -3.2679 -3.2679 -3.1736 -3.1736 -2.7332 -2.7332 -2.7327 -2.7327 -2.6373 -2.6373 -2.6125 -2.6125 -2.5100 -2.5100 -2.4542 -2.4542 1.6738 1.6738 1.7663 1.7663 3.5385 3.5385 3.7050 3.7050 4.2178 4.2178 4.2489 4.2489 7.8981 7.8981 7.9894 7.9894 9.4719 9.4719 9.4872 9.4872 k = 0.2875 0.1660 0.3055 ( 3614 PWs) bands (ev): -5.6310 -5.6310 -5.6231 -5.6231 -3.3668 -3.3668 -3.3647 -3.3647 -3.2601 -3.2601 -3.1680 -3.1680 -2.7308 -2.7308 -2.7298 -2.7298 -2.6361 -2.6361 -2.6112 -2.6112 -2.4972 -2.4972 -2.4414 -2.4414 1.6011 1.6011 1.6882 1.6882 3.5322 3.5322 3.6906 3.6906 4.1861 4.1861 4.2162 4.2162 7.8627 7.8627 7.9477 7.9477 9.4452 9.4452 9.4618 9.4618 k = 0.3000 0.1732 0.3055 ( 3612 PWs) bands (ev): -5.6211 -5.6211 -5.6133 -5.6133 -3.3656 -3.3656 -3.3642 -3.3642 -3.2520 -3.2520 -3.1627 -3.1627 -2.7292 -2.7292 -2.7268 -2.7268 -2.6346 -2.6346 -2.6100 -2.6100 -2.4833 -2.4833 -2.4281 -2.4281 1.5280 1.5280 1.6095 1.6095 3.5290 3.5290 3.6789 3.6789 4.1563 4.1563 4.1854 4.1854 7.8265 7.8265 7.9056 7.9056 9.4147 9.4147 9.4316 9.4316 k = 0.3125 0.1804 0.3055 ( 3612 PWs) bands (ev): -5.6114 -5.6114 -5.6038 -5.6038 -3.3646 -3.3646 -3.3638 -3.3638 -3.2437 -3.2437 -3.1578 -3.1578 -2.7277 -2.7277 -2.7243 -2.7243 -2.6330 -2.6330 -2.6087 -2.6087 -2.4685 -2.4685 -2.4145 -2.4145 1.4552 1.4552 1.5310 1.5310 3.5284 3.5284 3.6695 3.6695 4.1288 4.1288 4.1566 4.1566 7.7902 7.7902 7.8636 7.8636 9.3814 9.3814 9.3980 9.3980 k = 0.3250 0.1876 0.3055 ( 3606 PWs) bands (ev): -5.6020 -5.6020 -5.5947 -5.5947 -3.3636 -3.3636 -3.3634 -3.3634 -3.2353 -3.2353 -3.1532 -3.1532 -2.7263 -2.7263 -2.7221 -2.7221 -2.6312 -2.6312 -2.6076 -2.6076 -2.4529 -2.4529 -2.4005 -2.4005 1.3834 1.3834 1.4536 1.4536 3.5297 3.5297 3.6616 3.6616 4.1037 4.1037 4.1300 4.1300 7.7544 7.7544 7.8225 7.8225 9.3462 9.3462 9.3621 9.3621 k = 0.3375 0.1949 0.3055 ( 3604 PWs) bands (ev): -5.5930 -5.5930 -5.5859 -5.5859 -3.3631 -3.3631 -3.3628 -3.3628 -3.2269 -3.2269 -3.1490 -3.1490 -2.7251 -2.7251 -2.7203 -2.7203 -2.6293 -2.6293 -2.6065 -2.6065 -2.4367 -2.4367 -2.3864 -2.3864 1.3132 1.3132 1.3779 1.3779 3.5323 3.5323 3.6549 3.6549 4.0811 4.0811 4.1056 4.1056 7.7197 7.7197 7.7826 7.7826 9.3102 9.3102 9.3250 9.3250 k = 0.3500 0.2021 0.3055 ( 3610 PWs) bands (ev): -5.5844 -5.5844 -5.5777 -5.5777 -3.3627 -3.3627 -3.3620 -3.3620 -3.2185 -3.2185 -3.1453 -3.1453 -2.7241 -2.7241 -2.7188 -2.7188 -2.6274 -2.6274 -2.6056 -2.6056 -2.4201 -2.4201 -2.3722 -2.3722 1.2454 1.2454 1.3046 1.3046 3.5359 3.5359 3.6489 3.6489 4.0611 4.0611 4.0837 4.0837 7.6864 7.6864 7.7443 7.7443 9.2740 9.2740 9.2876 9.2876 k = 0.3625 0.2093 0.3055 ( 3606 PWs) bands (ev): -5.5763 -5.5763 -5.5699 -5.5699 -3.3624 -3.3624 -3.3614 -3.3614 -3.2102 -3.2102 -3.1420 -3.1420 -2.7231 -2.7231 -2.7176 -2.7176 -2.6254 -2.6254 -2.6047 -2.6047 -2.4032 -2.4032 -2.3582 -2.3582 1.1806 1.1806 1.2343 1.2343 3.5400 3.5400 3.6431 3.6431 4.0438 4.0438 4.0642 4.0642 7.6549 7.6549 7.7080 7.7080 9.2384 9.2384 9.2508 9.2508 k = 0.3750 0.2165 0.3055 ( 3610 PWs) bands (ev): -5.5687 -5.5687 -5.5627 -5.5627 -3.3621 -3.3621 -3.3609 -3.3609 -3.2022 -3.2022 -3.1392 -3.1392 -2.7222 -2.7222 -2.7167 -2.7167 -2.6233 -2.6233 -2.6041 -2.6041 -2.3863 -2.3863 -2.3445 -2.3445 1.1193 1.1193 1.1678 1.1678 3.5443 3.5443 3.6374 3.6374 4.0292 4.0292 4.0472 4.0472 7.6255 7.6255 7.6738 7.6738 9.2041 9.2041 9.2152 9.2152 k = 0.3875 0.2237 0.3055 ( 3606 PWs) bands (ev): -5.5616 -5.5616 -5.5561 -5.5561 -3.3618 -3.3618 -3.3604 -3.3604 -3.1944 -3.1944 -3.1370 -3.1370 -2.7214 -2.7214 -2.7160 -2.7160 -2.6213 -2.6213 -2.6035 -2.6035 -2.3697 -2.3697 -2.3313 -2.3313 1.0621 1.0621 1.1054 1.1054 3.5485 3.5485 3.6317 3.6317 4.0171 4.0171 4.0327 4.0327 7.5985 7.5985 7.6420 7.6420 9.1716 9.1716 9.1814 9.1814 k = 0.4000 0.2309 0.3055 ( 3614 PWs) bands (ev): -5.5552 -5.5552 -5.5501 -5.5501 -3.3615 -3.3615 -3.3601 -3.3601 -3.1869 -3.1869 -3.1353 -3.1353 -2.7206 -2.7206 -2.7155 -2.7155 -2.6193 -2.6193 -2.6031 -2.6031 -2.3535 -2.3535 -2.3189 -2.3189 1.0095 1.0095 1.0477 1.0477 3.5526 3.5526 3.6257 3.6257 4.0073 4.0073 4.0205 4.0205 7.5741 7.5741 7.6128 7.6128 9.1413 9.1413 9.1499 9.1499 k = 0.4125 0.2382 0.3055 ( 3610 PWs) bands (ev): -5.5493 -5.5493 -5.5448 -5.5448 -3.3612 -3.3612 -3.3598 -3.3598 -3.1797 -3.1797 -3.1342 -3.1342 -2.7199 -2.7199 -2.7152 -2.7152 -2.6173 -2.6173 -2.6029 -2.6029 -2.3382 -2.3382 -2.3075 -2.3075 0.9620 0.9620 0.9953 0.9953 3.5564 3.5564 3.6196 3.6196 3.9997 3.9997 4.0104 4.0104 7.5524 7.5524 7.5864 7.5864 9.1138 9.1138 9.1211 9.1211 k = 0.4250 0.2454 0.3055 ( 3594 PWs) bands (ev): -5.5442 -5.5442 -5.5402 -5.5402 -3.3609 -3.3609 -3.3596 -3.3596 -3.1730 -3.1730 -3.1337 -3.1337 -2.7193 -2.7193 -2.7150 -2.7150 -2.6154 -2.6154 -2.6029 -2.6029 -2.3238 -2.3238 -2.2973 -2.2973 0.9201 0.9201 0.9485 0.9485 3.5599 3.5599 3.6134 3.6134 3.9939 3.9939 4.0024 4.0024 7.5336 7.5336 7.5629 7.5629 9.0893 9.0893 9.0955 9.0955 k = 0.4375 0.2526 0.3055 ( 3594 PWs) bands (ev): -5.5397 -5.5397 -5.5363 -5.5363 -3.3607 -3.3607 -3.3595 -3.3595 -3.1666 -3.1666 -3.1337 -3.1337 -2.7187 -2.7187 -2.7150 -2.7150 -2.6136 -2.6136 -2.6031 -2.6031 -2.3108 -2.3108 -2.2886 -2.2886 0.8842 0.8842 0.9078 0.9078 3.5632 3.5632 3.6072 3.6072 3.9897 3.9897 3.9962 3.9962 7.5179 7.5179 7.5424 7.5424 9.0682 9.0682 9.0733 9.0733 k = 0.4500 0.2598 0.3055 ( 3606 PWs) bands (ev): -5.5359 -5.5359 -5.5332 -5.5332 -3.3604 -3.3604 -3.3594 -3.3594 -3.1608 -3.1608 -3.1343 -3.1343 -2.7181 -2.7181 -2.7151 -2.7151 -2.6119 -2.6119 -2.6034 -2.6034 -2.2994 -2.2994 -2.2815 -2.2815 0.8547 0.8547 0.8735 0.8735 3.5664 3.5664 3.6012 3.6012 3.9867 3.9867 3.9915 3.9915 7.5054 7.5054 7.5250 7.5250 9.0507 9.0507 9.0547 9.0547 k = 0.4625 0.2670 0.3055 ( 3610 PWs) bands (ev): -5.5329 -5.5329 -5.5308 -5.5308 -3.3602 -3.3602 -3.3594 -3.3594 -3.1555 -3.1555 -3.1356 -3.1356 -2.7175 -2.7175 -2.7153 -2.7153 -2.6103 -2.6103 -2.6039 -2.6039 -2.2898 -2.2898 -2.2762 -2.2762 0.8319 0.8319 0.8460 0.8460 3.5697 3.5697 3.5955 3.5955 3.9847 3.9847 3.9881 3.9881 7.4961 7.4961 7.5108 7.5108 9.0370 9.0370 9.0399 9.0399 k = 0.4750 0.2742 0.3055 ( 3610 PWs) bands (ev): -5.5306 -5.5306 -5.5292 -5.5292 -3.3600 -3.3600 -3.3594 -3.3594 -3.1508 -3.1508 -3.1374 -3.1374 -2.7170 -2.7170 -2.7155 -2.7155 -2.6089 -2.6089 -2.6045 -2.6045 -2.2821 -2.2821 -2.2730 -2.2730 0.8161 0.8161 0.8255 0.8255 3.5731 3.5731 3.5901 3.5901 3.9836 3.9836 3.9857 3.9857 7.4901 7.4901 7.5000 7.5000 9.0272 9.0272 9.0291 9.0291 k = 0.4875 0.2815 0.3055 ( 3604 PWs) bands (ev): -5.5291 -5.5291 -5.5284 -5.5284 -3.3598 -3.3598 -3.3595 -3.3595 -3.1465 -3.1465 -3.1399 -3.1399 -2.7166 -2.7166 -2.7158 -2.7158 -2.6076 -2.6076 -2.6054 -2.6054 -2.2765 -2.2765 -2.2720 -2.2720 0.8075 0.8075 0.8122 0.8122 3.5767 3.5767 3.5852 3.5852 3.9831 3.9831 3.9841 3.9841 7.4875 7.4875 7.4924 7.4924 9.0215 9.0215 9.0224 9.0224 k = 0.5000 0.2887 0.3055 ( 3612 PWs) bands (ev): -5.5284 -5.5284 -5.5284 -5.5284 -3.3596 -3.3596 -3.3596 -3.3596 -3.1429 -3.1429 -3.1429 -3.1429 -2.7162 -2.7162 -2.7162 -2.7162 -2.6064 -2.6064 -2.6064 -2.6064 -2.2731 -2.2731 -2.2731 -2.2731 0.8061 0.8061 0.8061 0.8061 3.5808 3.5808 3.5808 3.5808 3.9833 3.9833 3.9833 3.9833 7.4883 7.4883 7.4883 7.4883 9.0199 9.0199 9.0199 9.0199 k = 0.5000 0.2887 0.3055 ( 3612 PWs) bands (ev): -5.5284 -5.5284 -5.5284 -5.5284 -3.3596 -3.3596 -3.3596 -3.3596 -3.1429 -3.1429 -3.1429 -3.1429 -2.7162 -2.7162 -2.7162 -2.7162 -2.6064 -2.6064 -2.6064 -2.6064 -2.2731 -2.2731 -2.2731 -2.2731 0.8061 0.8061 0.8061 0.8061 3.5808 3.5808 3.5808 3.5808 3.9833 3.9833 3.9833 3.9833 7.4883 7.4883 7.4883 7.4883 9.0199 9.0199 9.0199 9.0199 k = 0.4928 0.3012 0.3055 ( 3612 PWs) bands (ev): -5.5289 -5.5289 -5.5276 -5.5276 -3.3611 -3.3611 -3.3580 -3.3580 -3.1489 -3.1489 -3.1370 -3.1370 -2.7170 -2.7170 -2.7151 -2.7151 -2.6080 -2.6080 -2.6049 -2.6049 -2.2776 -2.2776 -2.2681 -2.2681 0.8018 0.8018 0.8113 0.8113 3.5539 3.5539 3.6003 3.6003 3.9608 3.9608 4.0030 4.0030 7.4873 7.4873 7.5007 7.5007 9.0196 9.0196 9.0279 9.0279 k = 0.4855 0.3138 0.3055 ( 3612 PWs) bands (ev): -5.5292 -5.5292 -5.5265 -5.5265 -3.3624 -3.3624 -3.3562 -3.3562 -3.1548 -3.1548 -3.1312 -3.1312 -2.7175 -2.7175 -2.7138 -2.7138 -2.6097 -2.6097 -2.6034 -2.6034 -2.2816 -2.2816 -2.2626 -2.2626 0.7984 0.7984 0.8174 0.8174 3.5205 3.5205 3.6113 3.6113 3.9369 3.9369 4.0192 4.0192 7.4977 7.4977 7.5243 7.5243 9.0271 9.0271 9.0436 9.0436 k = 0.4783 0.3263 0.3055 ( 3608 PWs) bands (ev): -5.5293 -5.5293 -5.5253 -5.5253 -3.3636 -3.3636 -3.3542 -3.3542 -3.1607 -3.1607 -3.1256 -3.1256 -2.7179 -2.7179 -2.7123 -2.7123 -2.6114 -2.6114 -2.6020 -2.6020 -2.2850 -2.2850 -2.2566 -2.2566 0.7957 0.7957 0.8244 0.8244 3.4808 3.4808 3.6122 3.6122 3.9140 3.9140 4.0319 4.0319 7.5187 7.5187 7.5581 7.5581 9.0426 9.0426 9.0674 9.0674 k = 0.4710 0.3389 0.3055 ( 3596 PWs) bands (ev): -5.5291 -5.5291 -5.5238 -5.5238 -3.3646 -3.3646 -3.3521 -3.3521 -3.1666 -3.1666 -3.1200 -3.1200 -2.7180 -2.7180 -2.7105 -2.7105 -2.6132 -2.6132 -2.6007 -2.6007 -2.2878 -2.2878 -2.2502 -2.2502 0.7938 0.7938 0.8322 0.8322 3.4352 3.4352 3.6009 3.6009 3.8951 3.8951 4.0417 4.0417 7.5491 7.5491 7.6005 7.6005 9.0665 9.0665 9.0996 9.0996 k = 0.4638 0.3514 0.3055 ( 3600 PWs) bands (ev): -5.5287 -5.5287 -5.5221 -5.5221 -3.3654 -3.3654 -3.3498 -3.3498 -3.1725 -3.1725 -3.1147 -3.1147 -2.7179 -2.7179 -2.7086 -2.7086 -2.6151 -2.6151 -2.5995 -2.5995 -2.2901 -2.2901 -2.2434 -2.2434 0.7926 0.7926 0.8408 0.8408 3.3840 3.3840 3.5763 3.5763 3.8824 3.8824 4.0492 4.0492 7.5873 7.5873 7.6498 7.6498 9.0993 9.0993 9.1406 9.1406 k = 0.4565 0.3640 0.3055 ( 3608 PWs) bands (ev): -5.5280 -5.5280 -5.5202 -5.5202 -3.3662 -3.3662 -3.3474 -3.3474 -3.1782 -3.1782 -3.1095 -3.1095 -2.7176 -2.7176 -2.7063 -2.7063 -2.6169 -2.6169 -2.5983 -2.5983 -2.2917 -2.2917 -2.2363 -2.2363 0.7920 0.7920 0.8501 0.8501 3.3279 3.3279 3.5391 3.5391 3.8764 3.8764 4.0549 4.0549 7.6312 7.6312 7.7039 7.7039 9.1416 9.1416 9.1909 9.1909 k = 0.4493 0.3765 0.3055 ( 3612 PWs) bands (ev): -5.5272 -5.5272 -5.5182 -5.5182 -3.3668 -3.3668 -3.3448 -3.3448 -3.1838 -3.1838 -3.1046 -3.1046 -2.7172 -2.7172 -2.7039 -2.7039 -2.6189 -2.6189 -2.5972 -2.5972 -2.2927 -2.2927 -2.2289 -2.2289 0.7919 0.7919 0.8601 0.8601 3.2675 3.2675 3.4918 3.4918 3.8759 3.8759 4.0595 4.0595 7.6789 7.6789 7.7606 7.7606 9.1939 9.1939 9.2509 9.2509 k = 0.4420 0.3891 0.3055 ( 3604 PWs) bands (ev): -5.5262 -5.5262 -5.5160 -5.5160 -3.3672 -3.3672 -3.3421 -3.3421 -3.1892 -3.1892 -3.0999 -3.0999 -2.7166 -2.7166 -2.7014 -2.7014 -2.6208 -2.6208 -2.5962 -2.5962 -2.2932 -2.2932 -2.2213 -2.2213 0.7921 0.7921 0.8707 0.8707 3.2038 3.2038 3.4375 3.4375 3.8794 3.8794 4.0636 4.0636 7.7284 7.7284 7.8177 7.8177 9.2566 9.2566 9.3210 9.3210 k = 0.4348 0.4016 0.3055 ( 3598 PWs) bands (ev): -5.5250 -5.5250 -5.5137 -5.5137 -3.3676 -3.3676 -3.3393 -3.3393 -3.1945 -3.1945 -3.0954 -3.0954 -2.7159 -2.7159 -2.6986 -2.6986 -2.6228 -2.6228 -2.5953 -2.5953 -2.2930 -2.2930 -2.2135 -2.2135 0.7926 0.7926 0.8816 0.8816 3.1377 3.1377 3.3786 3.3786 3.8853 3.8853 4.0673 4.0673 7.7778 7.7778 7.8733 7.8733 9.3299 9.3299 9.4010 9.4010 k = 0.4275 0.4142 0.3055 ( 3602 PWs) bands (ev): -5.5237 -5.5237 -5.5113 -5.5113 -3.3679 -3.3679 -3.3364 -3.3364 -3.1995 -3.1995 -3.0913 -3.0913 -2.7152 -2.7152 -2.6958 -2.6958 -2.6247 -2.6247 -2.5944 -2.5944 -2.2923 -2.2923 -2.2055 -2.2055 0.7932 0.7932 0.8928 0.8928 3.0702 3.0702 3.3176 3.3176 3.8927 3.8927 4.0711 4.0711 7.8255 7.8255 7.9257 7.9257 9.4133 9.4133 9.4907 9.4907 k = 0.4203 0.4267 0.3055 ( 3606 PWs) bands (ev): -5.5222 -5.5222 -5.5089 -5.5089 -3.3681 -3.3681 -3.3335 -3.3335 -3.2043 -3.2043 -3.0874 -3.0874 -2.7144 -2.7144 -2.6928 -2.6928 -2.6267 -2.6267 -2.5936 -2.5936 -2.2911 -2.2911 -2.1976 -2.1976 0.7937 0.7937 0.9040 0.9040 3.0025 3.0025 3.2559 3.2559 3.9009 3.9009 4.0751 4.0751 7.8702 7.8702 7.9738 7.9738 9.5059 9.5059 9.5889 9.5889 k = 0.4130 0.4393 0.3055 ( 3610 PWs) bands (ev): -5.5207 -5.5207 -5.5064 -5.5064 -3.3682 -3.3682 -3.3305 -3.3305 -3.2088 -3.2088 -3.0839 -3.0839 -2.7136 -2.7136 -2.6898 -2.6898 -2.6286 -2.6286 -2.5928 -2.5928 -2.2894 -2.2894 -2.1896 -2.1896 0.7941 0.7941 0.9151 0.9151 2.9357 2.9357 3.1951 3.1951 3.9096 3.9096 4.0792 4.0792 7.9109 7.9109 8.0167 8.0167 9.6062 9.6062 9.6942 9.6942 k = 0.4058 0.4518 0.3055 ( 3618 PWs) bands (ev): -5.5192 -5.5192 -5.5040 -5.5040 -3.3683 -3.3683 -3.3276 -3.3276 -3.2131 -3.2131 -3.0806 -3.0806 -2.7128 -2.7128 -2.6868 -2.6868 -2.6305 -2.6305 -2.5921 -2.5921 -2.2873 -2.2873 -2.1818 -2.1818 0.7943 0.7943 0.9259 0.9259 2.8707 2.8707 3.1365 3.1365 3.9184 3.9184 4.0836 4.0836 7.9473 7.9473 8.0542 8.0542 9.7118 9.7118 9.8036 9.8036 k = 0.3986 0.4644 0.3055 ( 3618 PWs) bands (ev): -5.5176 -5.5176 -5.5016 -5.5016 -3.3683 -3.3683 -3.3247 -3.3247 -3.2170 -3.2170 -3.0777 -3.0777 -2.7120 -2.7120 -2.6839 -2.6839 -2.6324 -2.6324 -2.5915 -2.5915 -2.2848 -2.2848 -2.1742 -2.1742 0.7940 0.7940 0.9360 0.9360 2.8087 2.8087 3.0809 3.0809 3.9271 3.9271 4.0881 4.0881 7.9789 7.9789 8.0862 8.0862 9.8195 9.8195 9.9134 9.9134 k = 0.3913 0.4769 0.3055 ( 3618 PWs) bands (ev): -5.5160 -5.5160 -5.4994 -5.4994 -3.3683 -3.3683 -3.3220 -3.3220 -3.2205 -3.2205 -3.0750 -3.0750 -2.7112 -2.7112 -2.6810 -2.6810 -2.6341 -2.6341 -2.5909 -2.5909 -2.2821 -2.2821 -2.1669 -2.1669 0.7933 0.7933 0.9453 0.9453 2.7507 2.7507 3.0293 3.0293 3.9354 3.9354 4.0927 4.0927 8.0057 8.0057 8.1129 8.1129 9.9246 9.9246 10.0179 10.0179 k = 0.3841 0.4895 0.3055 ( 3614 PWs) bands (ev): -5.5145 -5.5145 -5.4972 -5.4972 -3.3682 -3.3682 -3.3194 -3.3194 -3.2237 -3.2237 -3.0727 -3.0727 -2.7105 -2.7105 -2.6783 -2.6783 -2.6358 -2.6358 -2.5903 -2.5903 -2.2792 -2.2792 -2.1600 -2.1600 0.7922 0.7922 0.9535 0.9535 2.6974 2.6974 2.9824 2.9824 3.9432 3.9432 4.0973 4.0973 8.0279 8.0279 8.1346 8.1346 10.0207 10.0207 10.1105 10.1105 k = 0.3768 0.5020 0.3055 ( 3618 PWs) bands (ev): -5.5131 -5.5131 -5.4952 -5.4952 -3.3682 -3.3682 -3.3171 -3.3171 -3.2264 -3.2264 -3.0707 -3.0707 -2.7099 -2.7099 -2.6758 -2.6758 -2.6373 -2.6373 -2.5898 -2.5898 -2.2762 -2.2762 -2.1537 -2.1537 0.7905 0.7905 0.9605 0.9605 2.6498 2.6498 2.9408 2.9408 3.9504 3.9504 4.1017 4.1017 8.0456 8.0456 8.1518 8.1518 10.0984 10.0984 10.1865 10.1865 k = 0.3696 0.5146 0.3055 ( 3626 PWs) bands (ev): -5.5117 -5.5117 -5.4934 -5.4934 -3.3681 -3.3681 -3.3150 -3.3150 -3.2287 -3.2287 -3.0690 -3.0690 -2.7094 -2.7094 -2.6736 -2.6736 -2.6387 -2.6387 -2.5894 -2.5894 -2.2733 -2.2733 -2.1480 -2.1480 0.7885 0.7885 0.9660 0.9660 2.6086 2.6086 2.9051 2.9051 3.9569 3.9569 4.1058 4.1058 8.0593 8.0593 8.1648 8.1648 10.1489 10.1489 10.2464 10.2464 k = 0.3623 0.5271 0.3055 ( 3624 PWs) bands (ev): -5.5106 -5.5106 -5.4919 -5.4919 -3.3680 -3.3680 -3.3132 -3.3132 -3.2305 -3.2305 -3.0676 -3.0676 -2.7090 -2.7090 -2.6717 -2.6717 -2.6399 -2.6399 -2.5890 -2.5890 -2.2706 -2.2706 -2.1430 -2.1430 0.7861 0.7861 0.9702 0.9702 2.5743 2.5743 2.8756 2.8756 3.9624 3.9624 4.1095 4.1095 8.0694 8.0694 8.1743 8.1743 10.1735 10.1735 10.2905 10.2905 k = 0.3551 0.5397 0.3055 ( 3620 PWs) bands (ev): -5.5096 -5.5096 -5.4907 -5.4907 -3.3680 -3.3680 -3.3118 -3.3118 -3.2319 -3.2319 -3.0665 -3.0665 -2.7086 -2.7086 -2.6701 -2.6701 -2.6408 -2.6408 -2.5887 -2.5887 -2.2683 -2.2683 -2.1390 -2.1390 0.7838 0.7838 0.9729 0.9729 2.5474 2.5474 2.8526 2.8526 3.9668 3.9668 4.1125 4.1125 8.0763 8.0763 8.1806 8.1806 10.1821 10.1821 10.3180 10.3180 k = 0.3478 0.5522 0.3055 ( 3616 PWs) bands (ev): -5.5089 -5.5089 -5.4897 -5.4897 -3.3679 -3.3679 -3.3109 -3.3109 -3.2328 -3.2328 -3.0657 -3.0657 -2.7084 -2.7084 -2.6690 -2.6690 -2.6414 -2.6414 -2.5885 -2.5885 -2.2664 -2.2664 -2.1359 -2.1359 0.7816 0.7816 0.9745 0.9745 2.5282 2.5282 2.8361 2.8361 3.9702 3.9702 4.1149 4.1149 8.0805 8.0805 8.1845 8.1845 10.1835 10.1835 10.3322 10.3322 k = 0.3406 0.5648 0.3055 ( 3614 PWs) bands (ev): -5.5084 -5.5084 -5.4891 -5.4891 -3.3679 -3.3679 -3.3103 -3.3103 -3.2334 -3.2334 -3.0652 -3.0652 -2.7082 -2.7082 -2.6684 -2.6684 -2.6418 -2.6418 -2.5884 -2.5884 -2.2652 -2.2652 -2.1340 -2.1340 0.7801 0.7801 0.9751 0.9751 2.5167 2.5167 2.8263 2.8263 3.9722 3.9722 4.1164 4.1164 8.0826 8.0826 8.1864 8.1864 10.1828 10.1828 10.3383 10.3383 k = 0.3333 0.5774 0.3055 ( 3618 PWs) bands (ev): -5.5083 -5.5083 -5.4889 -5.4889 -3.3679 -3.3679 -3.3101 -3.3101 -3.2335 -3.2335 -3.0651 -3.0651 -2.7082 -2.7082 -2.6681 -2.6681 -2.6419 -2.6419 -2.5883 -2.5883 -2.2647 -2.2647 -2.1334 -2.1334 0.7794 0.7794 0.9752 0.9752 2.5130 2.5130 2.8230 2.8230 3.9729 3.9729 4.1169 4.1169 8.0832 8.0832 8.1869 8.1869 10.1823 10.1823 10.3398 10.3398 k = 0.3333 0.5774 0.3055 ( 3618 PWs) bands (ev): -5.5083 -5.5083 -5.4889 -5.4889 -3.3679 -3.3679 -3.3101 -3.3101 -3.2335 -3.2335 -3.0651 -3.0651 -2.7082 -2.7082 -2.6681 -2.6681 -2.6419 -2.6419 -2.5883 -2.5883 -2.2647 -2.2647 -2.1334 -2.1334 0.7794 0.7794 0.9752 0.9752 2.5130 2.5130 2.8230 2.8230 3.9729 3.9729 4.1169 4.1169 8.0832 8.0832 8.1869 8.1869 10.1823 10.1823 10.3398 10.3398 k = 0.3261 0.5648 0.3055 ( 3614 PWs) bands (ev): -5.5085 -5.5085 -5.4891 -5.4891 -3.3679 -3.3679 -3.3103 -3.3103 -3.2334 -3.2334 -3.0652 -3.0652 -2.7082 -2.7082 -2.6683 -2.6683 -2.6418 -2.6418 -2.5884 -2.5884 -2.2652 -2.2652 -2.1341 -2.1341 0.7802 0.7802 0.9752 0.9752 2.5166 2.5166 2.8262 2.8262 3.9722 3.9722 4.1163 4.1163 8.0828 8.0828 8.1865 8.1865 10.1829 10.1829 10.3385 10.3385 k = 0.3188 0.5522 0.3055 ( 3614 PWs) bands (ev): -5.5090 -5.5090 -5.4898 -5.4898 -3.3679 -3.3679 -3.3108 -3.3108 -3.2330 -3.2330 -3.0657 -3.0657 -2.7084 -2.7084 -2.6689 -2.6689 -2.6416 -2.6416 -2.5885 -2.5885 -2.2668 -2.2668 -2.1362 -2.1362 0.7828 0.7828 0.9759 0.9759 2.5275 2.5275 2.8356 2.8356 3.9700 3.9700 4.1146 4.1146 8.0820 8.0820 8.1860 8.1860 10.1844 10.1844 10.3342 10.3342 k = 0.3116 0.5397 0.3055 ( 3622 PWs) bands (ev): -5.5099 -5.5099 -5.4909 -5.4909 -3.3680 -3.3680 -3.3116 -3.3116 -3.2326 -3.2326 -3.0665 -3.0665 -2.7086 -2.7086 -2.6697 -2.6697 -2.6413 -2.6413 -2.5888 -2.5888 -2.2694 -2.2694 -2.1399 -2.1399 0.7877 0.7877 0.9778 0.9778 2.5451 2.5451 2.8510 2.8510 3.9662 3.9662 4.1117 4.1117 8.0812 8.0812 8.1856 8.1856 10.1861 10.1861 10.3258 10.3258 k = 0.3043 0.5271 0.3055 ( 3622 PWs) bands (ev): -5.5113 -5.5113 -5.4925 -5.4925 -3.3681 -3.3681 -3.3126 -3.3126 -3.2321 -3.2321 -3.0677 -3.0677 -2.7089 -2.7089 -2.6708 -2.6708 -2.6409 -2.6409 -2.5891 -2.5891 -2.2733 -2.2733 -2.1451 -2.1451 0.7953 0.7953 0.9814 0.9814 2.5689 2.5689 2.8720 2.8720 3.9610 3.9610 4.1075 4.1075 8.0809 8.0809 8.1860 8.1860 10.1864 10.1864 10.3120 10.3120 k = 0.2971 0.5146 0.3055 ( 3622 PWs) bands (ev): -5.5131 -5.5131 -5.4947 -5.4947 -3.3682 -3.3682 -3.3138 -3.3138 -3.2316 -3.2316 -3.0692 -3.0692 -2.7093 -2.7093 -2.6720 -2.6720 -2.6406 -2.6406 -2.5895 -2.5895 -2.2785 -2.2785 -2.1519 -2.1519 0.8059 0.8059 0.9875 0.9875 2.5985 2.5985 2.8983 2.8983 3.9541 3.9541 4.1021 4.1021 8.0816 8.0816 8.1876 8.1876 10.1833 10.1833 10.2922 10.2922 k = 0.2899 0.5020 0.3055 ( 3622 PWs) bands (ev): -5.5154 -5.5154 -5.4973 -5.4973 -3.3684 -3.3684 -3.3152 -3.3152 -3.2313 -3.2313 -3.0711 -3.0711 -2.7098 -2.7098 -2.6735 -2.6735 -2.6404 -2.6404 -2.5901 -2.5901 -2.2850 -2.2850 -2.1603 -2.1603 0.8201 0.8201 0.9965 0.9965 2.6333 2.6333 2.9296 2.9296 3.9459 3.9459 4.0955 4.0955 8.0835 8.0835 8.1906 8.1906 10.1741 10.1741 10.2671 10.2671 k = 0.2826 0.4895 0.3055 ( 3610 PWs) bands (ev): -5.5181 -5.5181 -5.5005 -5.5005 -3.3685 -3.3685 -3.3168 -3.3168 -3.2311 -3.2311 -3.0734 -3.0734 -2.7104 -2.7104 -2.6750 -2.6750 -2.6402 -2.6402 -2.5907 -2.5907 -2.2928 -2.2928 -2.1703 -2.1703 0.8380 0.8380 1.0089 1.0089 2.6728 2.6728 2.9655 2.9655 3.9362 3.9362 4.0877 4.0877 8.0870 8.0870 8.1954 8.1954 10.1562 10.1562 10.2387 10.2387 k = 0.2754 0.4769 0.3055 ( 3606 PWs) bands (ev): -5.5214 -5.5214 -5.5042 -5.5042 -3.3687 -3.3687 -3.3184 -3.3184 -3.2312 -3.2312 -3.0760 -3.0760 -2.7110 -2.7110 -2.6767 -2.6767 -2.6402 -2.6402 -2.5914 -2.5914 -2.3018 -2.3018 -2.1818 -2.1818 0.8599 0.8599 1.0251 1.0251 2.7164 2.7164 3.0056 3.0056 3.9252 3.9252 4.0789 4.0789 8.0922 8.0922 8.2022 8.2022 10.1282 10.1282 10.2087 10.2087 k = 0.2681 0.4644 0.3055 ( 3610 PWs) bands (ev): -5.5252 -5.5252 -5.5085 -5.5085 -3.3689 -3.3689 -3.3201 -3.3201 -3.2316 -3.2316 -3.0791 -3.0791 -2.7117 -2.7117 -2.6785 -2.6785 -2.6402 -2.6402 -2.5922 -2.5922 -2.3120 -2.3120 -2.1947 -2.1947 0.8860 0.8860 1.0454 1.0454 2.7638 2.7638 3.0496 3.0496 3.9130 3.9130 4.0692 4.0692 8.0992 8.0992 8.2111 8.2111 10.0917 10.0917 10.1766 10.1766 k = 0.2609 0.4518 0.3055 ( 3610 PWs) bands (ev): -5.5295 -5.5295 -5.5134 -5.5134 -3.3692 -3.3692 -3.3219 -3.3219 -3.2323 -3.2323 -3.0825 -3.0825 -2.7125 -2.7125 -2.6804 -2.6804 -2.6404 -2.6404 -2.5930 -2.5930 -2.3233 -2.3233 -2.2088 -2.2088 0.9163 0.9163 1.0699 1.0699 2.8144 2.8144 3.0971 3.0971 3.8999 3.8999 4.0587 4.0587 8.1080 8.1080 8.2223 8.2223 10.0494 10.0494 10.1415 10.1415 k = 0.2536 0.4393 0.3055 ( 3600 PWs) bands (ev): -5.5344 -5.5344 -5.5188 -5.5188 -3.3694 -3.3694 -3.3238 -3.3238 -3.2334 -3.2334 -3.0864 -3.0864 -2.7133 -2.7133 -2.6824 -2.6824 -2.6406 -2.6406 -2.5939 -2.5939 -2.3355 -2.3355 -2.2241 -2.2241 0.9509 0.9509 1.0989 1.0989 2.8677 2.8677 3.1478 3.1478 3.8861 3.8861 4.0478 4.0478 8.1187 8.1187 8.2356 8.2356 10.0041 10.0041 10.1027 10.1027 k = 0.2464 0.4267 0.3055 ( 3604 PWs) bands (ev): -5.5398 -5.5398 -5.5247 -5.5247 -3.3697 -3.3697 -3.3257 -3.3257 -3.2349 -3.2349 -3.0907 -3.0907 -2.7142 -2.7142 -2.6846 -2.6846 -2.6410 -2.6410 -2.5949 -2.5949 -2.3486 -2.3486 -2.2404 -2.2404 0.9898 0.9898 1.1323 1.1323 2.9233 2.9233 3.2012 3.2012 3.8718 3.8718 4.0367 4.0367 8.1310 8.1310 8.2511 8.2511 9.9573 9.9573 10.0608 10.0608 k = 0.2391 0.4142 0.3055 ( 3596 PWs) bands (ev): -5.5457 -5.5457 -5.5312 -5.5312 -3.3700 -3.3700 -3.3277 -3.3277 -3.2367 -3.2367 -3.0953 -3.0953 -2.7152 -2.7152 -2.6870 -2.6870 -2.6414 -2.6414 -2.5959 -2.5959 -2.3623 -2.3623 -2.2575 -2.2575 1.0329 1.0329 1.1702 1.1702 2.9806 2.9806 3.2569 3.2569 3.8575 3.8575 4.0258 4.0258 8.1448 8.1448 8.2686 8.2686 9.9100 9.9100 10.0164 10.0164 k = 0.2319 0.4016 0.3055 ( 3596 PWs) bands (ev): -5.5522 -5.5522 -5.5382 -5.5382 -3.3702 -3.3702 -3.3297 -3.3297 -3.2390 -3.2390 -3.1003 -3.1003 -2.7163 -2.7163 -2.6895 -2.6895 -2.6418 -2.6418 -2.5970 -2.5970 -2.3765 -2.3765 -2.2752 -2.2752 1.0800 1.0800 1.2124 1.2124 3.0391 3.0391 3.3145 3.3145 3.8435 3.8435 4.0154 4.0154 8.1600 8.1600 8.2879 8.2879 9.8630 9.8630 9.9703 9.9703 k = 0.2246 0.3891 0.3055 ( 3604 PWs) bands (ev): -5.5591 -5.5591 -5.5457 -5.5457 -3.3705 -3.3705 -3.3317 -3.3317 -3.2417 -3.2417 -3.1058 -3.1058 -2.7175 -2.7175 -2.6922 -2.6922 -2.6423 -2.6423 -2.5982 -2.5982 -2.3911 -2.3911 -2.2933 -2.2933 1.1308 1.1308 1.2588 1.2588 3.0982 3.0982 3.3735 3.3735 3.8305 3.8305 4.0060 4.0060 8.1760 8.1760 8.3088 8.3088 9.8165 9.8165 9.9233 9.9233 k = 0.2174 0.3765 0.3055 ( 3600 PWs) bands (ev): -5.5666 -5.5666 -5.5537 -5.5537 -3.3708 -3.3708 -3.3338 -3.3338 -3.2448 -3.2448 -3.1115 -3.1115 -2.7187 -2.7187 -2.6950 -2.6950 -2.6428 -2.6428 -2.5994 -2.5994 -2.4059 -2.4059 -2.3116 -2.3116 1.1852 1.1852 1.3092 1.3092 3.1572 3.1572 3.4331 3.4331 3.8191 3.8191 3.9983 3.9983 8.1928 8.1928 8.3310 8.3310 9.7707 9.7707 9.8759 9.8759 k = 0.2101 0.3640 0.3055 ( 3602 PWs) bands (ev): -5.5745 -5.5745 -5.5621 -5.5621 -3.3711 -3.3711 -3.3360 -3.3360 -3.2484 -3.2484 -3.1176 -3.1176 -2.7200 -2.7200 -2.6981 -2.6981 -2.6432 -2.6432 -2.6006 -2.6006 -2.4207 -2.4207 -2.3300 -2.3300 1.2428 1.2428 1.3633 1.3633 3.2155 3.2155 3.4924 3.4924 3.8107 3.8107 3.9927 3.9927 8.2097 8.2097 8.3541 8.3541 9.7253 9.7253 9.8287 9.8287 k = 0.2029 0.3514 0.3055 ( 3598 PWs) bands (ev): -5.5829 -5.5829 -5.5710 -5.5710 -3.3715 -3.3715 -3.3382 -3.3382 -3.2523 -3.2523 -3.1239 -3.1239 -2.7215 -2.7215 -2.7014 -2.7014 -2.6437 -2.6437 -2.6019 -2.6019 -2.4355 -2.4355 -2.3482 -2.3482 1.3033 1.3033 1.4209 1.4209 3.2721 3.2721 3.5498 3.5498 3.8070 3.8070 3.9903 3.9903 8.2265 8.2265 8.3778 8.3778 9.6802 9.6802 9.7822 9.7822 k = 0.1957 0.3389 0.3055 ( 3602 PWs) bands (ev): -5.5917 -5.5917 -5.5802 -5.5802 -3.3718 -3.3718 -3.3404 -3.3404 -3.2565 -3.2565 -3.1306 -3.1306 -2.7231 -2.7231 -2.7049 -2.7049 -2.6440 -2.6440 -2.6033 -2.6033 -2.4499 -2.4499 -2.3661 -2.3661 1.3662 1.3662 1.4815 1.4815 3.3260 3.3260 3.6024 3.6024 3.8110 3.8110 3.9918 3.9918 8.2426 8.2426 8.4015 8.4015 9.6350 9.6350 9.7369 9.7369 k = 0.1884 0.3263 0.3055 ( 3618 PWs) bands (ev): -5.6008 -5.6008 -5.5898 -5.5898 -3.3721 -3.3721 -3.3427 -3.3427 -3.2610 -3.2610 -3.1374 -3.1374 -2.7248 -2.7248 -2.7086 -2.7086 -2.6443 -2.6443 -2.6046 -2.6046 -2.4640 -2.4640 -2.3835 -2.3835 1.4310 1.4310 1.5447 1.5447 3.3760 3.3760 3.6464 3.6464 3.8271 3.8271 3.9984 3.9984 8.2575 8.2575 8.4248 8.4248 9.5896 9.5896 9.6933 9.6933 k = 0.1812 0.3138 0.3055 ( 3618 PWs) bands (ev): -5.6103 -5.6103 -5.5997 -5.5997 -3.3725 -3.3725 -3.3451 -3.3451 -3.2658 -3.2658 -3.1444 -3.1444 -2.7267 -2.7267 -2.7126 -2.7126 -2.6445 -2.6445 -2.6060 -2.6060 -2.4776 -2.4776 -2.4003 -2.4003 1.4974 1.4974 1.6100 1.6100 3.4212 3.4212 3.6786 3.6786 3.8585 3.8585 4.0111 4.0111 8.2706 8.2706 8.4469 8.4469 9.5439 9.5439 9.6520 9.6520 k = 0.1739 0.3012 0.3055 ( 3614 PWs) bands (ev): -5.6200 -5.6200 -5.6098 -5.6098 -3.3730 -3.3730 -3.3475 -3.3475 -3.2707 -3.2707 -3.1515 -3.1515 -2.7288 -2.7288 -2.7166 -2.7166 -2.6447 -2.6447 -2.6074 -2.6074 -2.4907 -2.4907 -2.4165 -2.4165 1.5648 1.5648 1.6768 1.6768 3.4607 3.4607 3.7011 3.7011 3.9034 3.9034 4.0310 4.0310 8.2814 8.2814 8.4671 8.4671 9.4983 9.4983 9.6134 9.6134 k = 0.1667 0.2887 0.3055 ( 3620 PWs) bands (ev): -5.6300 -5.6300 -5.6201 -5.6201 -3.3734 -3.3734 -3.3499 -3.3499 -3.2758 -3.2758 -3.1587 -3.1587 -2.7312 -2.7312 -2.7208 -2.7208 -2.6447 -2.6447 -2.6089 -2.6089 -2.5030 -2.5030 -2.4319 -2.4319 1.6325 1.6325 1.7446 1.7446 3.4945 3.4945 3.7192 3.7192 3.9562 3.9562 4.0588 4.0588 8.2890 8.2890 8.4842 8.4842 9.4537 9.4537 9.5778 9.5778 k = 0.1594 0.2761 0.3055 ( 3606 PWs) bands (ev): -5.6402 -5.6402 -5.6306 -5.6306 -3.3740 -3.3740 -3.3524 -3.3524 -3.2809 -3.2809 -3.1659 -3.1659 -2.7339 -2.7339 -2.7250 -2.7250 -2.6447 -2.6447 -2.6103 -2.6103 -2.5146 -2.5146 -2.4464 -2.4464 1.7001 1.7001 1.8126 1.8126 3.5235 3.5235 3.7369 3.7369 4.0124 4.0124 4.0947 4.0947 8.2929 8.2929 8.4971 8.4971 9.4114 9.4114 9.5456 9.5456 k = 0.1522 0.2636 0.3055 ( 3602 PWs) bands (ev): -5.6504 -5.6504 -5.6413 -5.6413 -3.3746 -3.3746 -3.3549 -3.3549 -3.2860 -3.2860 -3.1732 -3.1732 -2.7370 -2.7370 -2.7291 -2.7291 -2.6445 -2.6445 -2.6117 -2.6117 -2.5255 -2.5255 -2.4602 -2.4602 1.7668 1.7668 1.8801 1.8801 3.5493 3.5493 3.7562 3.7562 4.0695 4.0695 4.1382 4.1382 8.2920 8.2920 8.5041 8.5041 9.3732 9.3732 9.5174 9.5174 k = 0.1449 0.2510 0.3055 ( 3602 PWs) bands (ev): -5.6608 -5.6608 -5.6519 -5.6519 -3.3754 -3.3754 -3.3575 -3.3575 -3.2909 -3.2909 -3.1805 -3.1805 -2.7407 -2.7407 -2.7329 -2.7329 -2.6442 -2.6442 -2.6131 -2.6131 -2.5355 -2.5355 -2.4731 -2.4731 1.8320 1.8320 1.9461 1.9461 3.5741 3.5741 3.7782 3.7782 4.1262 4.1262 4.1878 4.1878 8.2854 8.2854 8.5035 8.5035 9.3412 9.3412 9.4938 9.4938 k = 0.1377 0.2385 0.3055 ( 3606 PWs) bands (ev): -5.6711 -5.6711 -5.6626 -5.6626 -3.3762 -3.3762 -3.3602 -3.3602 -3.2955 -3.2955 -3.1877 -3.1877 -2.7449 -2.7449 -2.7365 -2.7365 -2.6438 -2.6438 -2.6145 -2.6145 -2.5446 -2.5446 -2.4851 -2.4851 1.8951 1.8951 2.0099 2.0099 3.5999 3.5999 3.8035 3.8035 4.1826 4.1826 4.2417 4.2417 8.2724 8.2724 8.4933 8.4933 9.3176 9.3176 9.4757 9.4757 k = 0.1304 0.2259 0.3055 ( 3598 PWs) bands (ev): -5.6813 -5.6813 -5.6732 -5.6732 -3.3772 -3.3772 -3.3630 -3.3630 -3.2998 -3.2998 -3.1948 -3.1948 -2.7495 -2.7495 -2.7400 -2.7400 -2.6433 -2.6433 -2.6158 -2.6158 -2.5529 -2.5529 -2.4964 -2.4964 1.9555 1.9555 2.0705 2.0705 3.6286 3.6286 3.8325 3.8325 4.2388 4.2388 4.2977 4.2977 8.2520 8.2520 8.4720 8.4720 9.3043 9.3043 9.4640 9.4640 k = 0.1232 0.2134 0.3055 ( 3610 PWs) bands (ev): -5.6914 -5.6914 -5.6836 -5.6836 -3.3784 -3.3784 -3.3658 -3.3658 -3.3037 -3.3037 -3.2019 -3.2019 -2.7542 -2.7542 -2.7434 -2.7434 -2.6427 -2.6427 -2.6170 -2.6170 -2.5604 -2.5604 -2.5068 -2.5068 2.0126 2.0126 2.1271 2.1271 3.6616 3.6616 3.8658 3.8658 4.2950 4.2950 4.3543 4.3543 8.2236 8.2236 8.4387 8.4387 9.3022 9.3022 9.4594 9.4594 k = 0.1159 0.2008 0.3055 ( 3618 PWs) bands (ev): -5.7014 -5.7014 -5.6939 -5.6939 -3.3797 -3.3797 -3.3687 -3.3687 -3.3071 -3.3071 -3.2088 -3.2088 -2.7590 -2.7590 -2.7468 -2.7468 -2.6419 -2.6419 -2.6181 -2.6181 -2.5671 -2.5671 -2.5165 -2.5165 2.0660 2.0660 2.1791 2.1791 3.6998 3.6998 3.9036 3.9036 4.3510 4.3510 4.4105 4.4105 8.1867 8.1867 8.3934 8.3934 9.3118 9.3118 9.4626 9.4626 k = 0.1087 0.1883 0.3055 ( 3624 PWs) bands (ev): -5.7110 -5.7110 -5.7039 -5.7039 -3.3812 -3.3812 -3.3716 -3.3716 -3.3099 -3.3099 -3.2156 -3.2156 -2.7637 -2.7637 -2.7503 -2.7503 -2.6410 -2.6410 -2.6192 -2.6192 -2.5731 -2.5731 -2.5255 -2.5255 2.1152 2.1152 2.2259 2.2259 3.7439 3.7439 3.9460 3.9460 4.4066 4.4066 4.4656 4.4656 8.1414 8.1414 8.3371 8.3371 9.3324 9.3324 9.4739 9.4739 k = 0.1014 0.1757 0.3055 ( 3624 PWs) bands (ev): -5.7204 -5.7204 -5.7136 -5.7136 -3.3827 -3.3827 -3.3746 -3.3746 -3.3121 -3.3121 -3.2222 -3.2222 -2.7683 -2.7683 -2.7539 -2.7539 -2.6400 -2.6400 -2.6201 -2.6201 -2.5784 -2.5784 -2.5339 -2.5339 2.1600 2.1600 2.2672 2.2672 3.7939 3.7939 3.9929 3.9929 4.4615 4.4615 4.5194 4.5194 8.0878 8.0878 8.2711 8.2711 9.3630 9.3630 9.4935 9.4935 k = 0.0942 0.1632 0.3055 ( 3626 PWs) bands (ev): -5.7293 -5.7293 -5.7230 -5.7230 -3.3844 -3.3844 -3.3776 -3.3776 -3.3137 -3.3137 -3.2287 -3.2287 -2.7726 -2.7726 -2.7575 -2.7575 -2.6389 -2.6389 -2.6209 -2.6209 -2.5831 -2.5831 -2.5416 -2.5416 2.2004 2.2004 2.3029 2.3029 3.8496 3.8496 4.0437 4.0437 4.5156 4.5156 4.5715 4.5715 8.0266 8.0266 8.1968 8.1968 9.4024 9.4024 9.5211 9.5211 k = 0.0870 0.1506 0.3055 ( 3634 PWs) bands (ev): -5.7379 -5.7379 -5.7319 -5.7319 -3.3862 -3.3862 -3.3805 -3.3805 -3.3148 -3.3148 -3.2350 -3.2350 -2.7767 -2.7767 -2.7611 -2.7611 -2.6376 -2.6376 -2.6215 -2.6215 -2.5873 -2.5873 -2.5488 -2.5488 2.2363 2.2363 2.3330 2.3330 3.9103 3.9103 4.0978 4.0978 4.5689 4.5689 4.6220 4.6220 7.9588 7.9588 8.1159 8.1159 9.4494 9.4494 9.5563 9.5563 k = 0.0797 0.1381 0.3055 ( 3636 PWs) bands (ev): -5.7459 -5.7459 -5.7404 -5.7404 -3.3880 -3.3880 -3.3835 -3.3835 -3.3153 -3.3153 -3.2411 -3.2411 -2.7804 -2.7804 -2.7647 -2.7647 -2.6362 -2.6362 -2.6220 -2.6220 -2.5910 -2.5910 -2.5554 -2.5554 2.2679 2.2679 2.3580 2.3580 3.9749 3.9749 4.1540 4.1540 4.6214 4.6214 4.6708 4.6708 7.8855 7.8855 8.0299 8.0299 9.5029 9.5029 9.5985 9.5985 k = 0.0725 0.1255 0.3055 ( 3640 PWs) bands (ev): -5.7534 -5.7534 -5.7483 -5.7483 -3.3898 -3.3898 -3.3862 -3.3862 -3.3152 -3.3152 -3.2470 -3.2470 -2.7838 -2.7838 -2.7683 -2.7683 -2.6347 -2.6347 -2.6223 -2.6223 -2.5942 -2.5942 -2.5617 -2.5617 2.2955 2.2955 2.3782 2.3782 4.0422 4.0422 4.2110 4.2110 4.6732 4.6732 4.7181 4.7181 7.8081 7.8081 7.9404 7.9404 9.5619 9.5619 9.6471 9.6471 k = 0.0652 0.1130 0.3055 ( 3648 PWs) bands (ev): -5.7603 -5.7603 -5.7557 -5.7557 -3.3915 -3.3915 -3.3889 -3.3889 -3.3147 -3.3147 -3.2527 -3.2527 -2.7867 -2.7867 -2.7718 -2.7718 -2.6330 -2.6330 -2.6225 -2.6225 -2.5971 -2.5971 -2.5674 -2.5674 2.3194 2.3194 2.3943 2.3943 4.1104 4.1104 4.2671 4.2671 4.7244 4.7244 4.7639 4.7639 7.7284 7.7284 7.8488 7.8488 9.6255 9.6255 9.7010 9.7010 k = 0.0580 0.1004 0.3055 ( 3644 PWs) bands (ev): -5.7666 -5.7666 -5.7625 -5.7625 -3.3932 -3.3932 -3.3913 -3.3913 -3.3138 -3.3138 -3.2582 -3.2582 -2.7893 -2.7893 -2.7752 -2.7752 -2.6313 -2.6313 -2.6226 -2.6226 -2.5996 -2.5996 -2.5728 -2.5728 2.3398 2.3398 2.4066 2.4066 4.1779 4.1779 4.3207 4.3207 4.7751 4.7751 4.8084 4.8084 7.6481 7.6481 7.7570 7.7570 9.6927 9.6927 9.7594 9.7594 k = 0.0507 0.0879 0.3055 ( 3640 PWs) bands (ev): -5.7722 -5.7722 -5.7686 -5.7686 -3.3948 -3.3948 -3.3935 -3.3935 -3.3125 -3.3125 -3.2635 -3.2635 -2.7914 -2.7914 -2.7784 -2.7784 -2.6295 -2.6295 -2.6225 -2.6225 -2.6017 -2.6017 -2.5778 -2.5778 2.3574 2.3574 2.4157 2.4157 4.2429 4.2429 4.3700 4.3700 4.8252 4.8252 4.8517 4.8517 7.5692 7.5692 7.6666 7.6666 9.7624 9.7624 9.8210 9.8210 k = 0.0435 0.0753 0.3055 ( 3644 PWs) bands (ev): -5.7771 -5.7771 -5.7740 -5.7740 -3.3963 -3.3963 -3.3954 -3.3954 -3.3108 -3.3108 -3.2685 -3.2685 -2.7931 -2.7931 -2.7814 -2.7814 -2.6276 -2.6276 -2.6223 -2.6223 -2.6036 -2.6036 -2.5825 -2.5825 2.3722 2.3722 2.4222 2.4222 4.3035 4.3035 4.4134 4.4134 4.8738 4.8738 4.8934 4.8934 7.4942 7.4942 7.5798 7.5798 9.8331 9.8331 9.8842 9.8842 k = 0.0362 0.0628 0.3055 ( 3636 PWs) bands (ev): -5.7813 -5.7813 -5.7786 -5.7786 -3.3976 -3.3976 -3.3971 -3.3971 -3.3088 -3.3088 -3.2734 -3.2734 -2.7943 -2.7943 -2.7843 -2.7843 -2.6257 -2.6257 -2.6221 -2.6221 -2.6050 -2.6050 -2.5869 -2.5869 2.3848 2.3848 2.4263 2.4263 4.3581 4.3581 4.4499 4.4499 4.9200 4.9200 4.9331 4.9331 7.4254 7.4254 7.4988 7.4988 9.9030 9.9030 9.9467 9.9467 k = 0.0290 0.0502 0.3055 ( 3634 PWs) bands (ev): -5.7847 -5.7847 -5.7825 -5.7825 -3.3987 -3.3987 -3.3984 -3.3984 -3.3064 -3.3064 -3.2780 -3.2780 -2.7951 -2.7951 -2.7868 -2.7868 -2.6240 -2.6240 -2.6217 -2.6217 -2.6060 -2.6060 -2.5909 -2.5909 2.3955 2.3955 2.4286 2.4286 4.4056 4.4056 4.4787 4.4787 4.9620 4.9620 4.9695 4.9695 7.3655 7.3655 7.4259 7.4259 9.9689 9.9689 10.0048 10.0048 k = 0.0217 0.0377 0.3055 ( 3634 PWs) bands (ev): -5.7873 -5.7873 -5.7857 -5.7857 -3.3996 -3.3996 -3.3995 -3.3995 -3.3038 -3.3038 -3.2824 -3.2824 -2.7954 -2.7954 -2.7891 -2.7891 -2.6225 -2.6225 -2.6213 -2.6213 -2.6065 -2.6065 -2.5946 -2.5946 2.4043 2.4043 2.4291 2.4291 4.4449 4.4449 4.4993 4.4993 4.9977 4.9977 5.0012 5.0012 7.3172 7.3172 7.3637 7.3637 10.0261 10.0261 10.0528 10.0528 k = 0.0145 0.0251 0.3055 ( 3638 PWs) bands (ev): -5.7891 -5.7891 -5.7880 -5.7880 -3.4003 -3.4003 -3.4002 -3.4002 -3.3009 -3.3009 -3.2866 -3.2866 -2.7954 -2.7954 -2.7911 -2.7911 -2.6213 -2.6213 -2.6209 -2.6209 -2.6062 -2.6062 -2.5980 -2.5980 2.4117 2.4117 2.4282 2.4282 4.4756 4.4756 4.5116 4.5116 5.0250 5.0250 5.0261 5.0261 7.2830 7.2830 7.3146 7.3146 10.0678 10.0678 10.0843 10.0843 k = 0.0072 0.0126 0.3055 ( 3642 PWs) bands (ev): -5.7900 -5.7900 -5.7895 -5.7895 -3.4007 -3.4007 -3.4007 -3.4007 -3.2977 -3.2977 -3.2905 -3.2905 -2.7949 -2.7949 -2.7927 -2.7927 -2.6207 -2.6207 -2.6206 -2.6206 -2.6052 -2.6052 -2.6009 -2.6009 2.4177 2.4177 2.4259 2.4259 4.4975 4.4975 4.5154 4.5154 5.0420 5.0420 5.0422 5.0422 7.2648 7.2648 7.2809 7.2809 10.0910 10.0910 10.0983 10.0983 k = 0.0000 0.0000 0.3055 ( 3652 PWs) bands (ev): -5.7902 -5.7902 -5.7902 -5.7902 -3.4008 -3.4008 -3.4008 -3.4008 -3.2942 -3.2942 -3.2942 -3.2942 -2.7940 -2.7940 -2.7940 -2.7940 -2.6205 -2.6205 -2.6205 -2.6205 -2.6034 -2.6034 -2.6034 -2.6034 2.4224 2.4224 2.4224 2.4224 4.5108 4.5108 4.5108 4.5108 5.0478 5.0478 5.0478 5.0478 7.2640 7.2640 7.2640 7.2640 10.0998 10.0998 10.0998 10.0998 k = 0.5000 0.2887 0.3055 ( 3612 PWs) bands (ev): -5.5284 -5.5284 -5.5284 -5.5284 -3.3596 -3.3596 -3.3596 -3.3596 -3.1429 -3.1429 -3.1429 -3.1429 -2.7162 -2.7162 -2.7162 -2.7162 -2.6064 -2.6064 -2.6064 -2.6064 -2.2731 -2.2731 -2.2731 -2.2731 0.8061 0.8061 0.8061 0.8061 3.5808 3.5808 3.5808 3.5808 3.9833 3.9833 3.9833 3.9833 7.4883 7.4883 7.4883 7.4883 9.0199 9.0199 9.0199 9.0199 k = 0.5000 0.2887 0.2909 ( 3608 PWs) bands (ev): -5.5331 -5.5331 -5.5237 -5.5237 -3.3622 -3.3622 -3.3570 -3.3570 -3.1499 -3.1499 -3.1357 -3.1357 -2.7194 -2.7194 -2.7129 -2.7129 -2.6085 -2.6085 -2.6044 -2.6044 -2.2802 -2.2802 -2.2660 -2.2660 0.7853 0.7853 0.8295 0.8295 3.5328 3.5328 3.6221 3.6221 3.9339 3.9339 4.0337 4.0337 7.4414 7.4414 7.5368 7.5368 9.0062 9.0062 9.0455 9.0455 k = 0.5000 0.2887 0.2764 ( 3604 PWs) bands (ev): -5.5379 -5.5379 -5.5193 -5.5193 -3.3648 -3.3648 -3.3543 -3.3543 -3.1568 -3.1568 -3.1285 -3.1285 -2.7225 -2.7225 -2.7097 -2.7097 -2.6106 -2.6106 -2.6024 -2.6024 -2.2871 -2.2871 -2.2587 -2.2587 0.7670 0.7670 0.8552 0.8552 3.4793 3.4793 3.6545 3.6545 3.8894 3.8894 4.0825 4.0825 7.3988 7.3988 7.5840 7.5840 9.0066 9.0066 9.0810 9.0810 k = 0.5000 0.2887 0.2618 ( 3610 PWs) bands (ev): -5.5427 -5.5427 -5.5150 -5.5150 -3.3672 -3.3672 -3.3516 -3.3516 -3.1634 -3.1634 -3.1211 -3.1211 -2.7256 -2.7256 -2.7064 -2.7064 -2.6127 -2.6127 -2.6005 -2.6005 -2.2938 -2.2938 -2.2514 -2.2514 0.7514 0.7514 0.8832 0.8832 3.4207 3.4207 3.6729 3.6729 3.8561 3.8561 4.1283 4.1283 7.3630 7.3630 7.6273 7.6273 9.0230 9.0230 9.1244 9.1244 k = 0.5000 0.2887 0.2473 ( 3596 PWs) bands (ev): -5.5476 -5.5476 -5.5108 -5.5108 -3.3696 -3.3696 -3.3489 -3.3489 -3.1699 -3.1699 -3.1137 -3.1137 -2.7286 -2.7286 -2.7031 -2.7031 -2.6148 -2.6148 -2.5988 -2.5988 -2.3003 -2.3003 -2.2442 -2.2442 0.7385 0.7385 0.9131 0.9131 3.3572 3.3572 3.6703 3.6703 3.8418 3.8418 4.1699 4.1699 7.3358 7.3358 7.6641 7.6641 9.0568 9.0568 9.1739 9.1739 k = 0.5000 0.2887 0.2327 ( 3596 PWs) bands (ev): -5.5524 -5.5524 -5.5069 -5.5069 -3.3719 -3.3719 -3.3461 -3.3461 -3.1760 -3.1760 -3.1064 -3.1064 -2.7315 -2.7315 -2.6998 -2.6998 -2.6169 -2.6169 -2.5971 -2.5971 -2.3065 -2.3065 -2.2370 -2.2370 0.7283 0.7283 0.9448 0.9448 3.2897 3.2897 3.6482 3.6482 3.8454 3.8454 4.2068 4.2068 7.3187 7.3187 7.6932 7.6932 9.1083 9.1083 9.2280 9.2280 k = 0.5000 0.2887 0.2182 ( 3596 PWs) bands (ev): -5.5572 -5.5572 -5.5031 -5.5031 -3.3741 -3.3741 -3.3434 -3.3434 -3.1819 -3.1819 -3.0991 -3.0991 -2.7344 -2.7344 -2.6966 -2.6966 -2.6189 -2.6189 -2.5956 -2.5956 -2.3125 -2.3125 -2.2299 -2.2299 0.7209 0.7209 0.9781 0.9781 3.2188 3.2188 3.6162 3.6162 3.8571 3.8571 4.2392 4.2392 7.3125 7.3125 7.7138 7.7138 9.1764 9.1764 9.2855 9.2855 k = 0.5000 0.2887 0.2037 ( 3588 PWs) bands (ev): -5.5619 -5.5619 -5.4996 -5.4996 -3.3762 -3.3762 -3.3407 -3.3407 -3.1876 -3.1876 -3.0919 -3.0919 -2.7371 -2.7371 -2.6933 -2.6933 -2.6210 -2.6210 -2.5942 -2.5942 -2.3181 -2.3181 -2.2230 -2.2230 0.7161 0.7161 1.0126 1.0126 3.1455 3.1455 3.5815 3.5815 3.8690 3.8690 4.2674 4.2674 7.3176 7.3176 7.7265 7.7265 9.2570 9.2570 9.3471 9.3471 k = 0.5000 0.2887 0.1891 ( 3588 PWs) bands (ev): -5.5665 -5.5665 -5.4964 -5.4964 -3.3781 -3.3781 -3.3381 -3.3381 -3.1929 -3.1929 -3.0849 -3.0849 -2.7397 -2.7397 -2.6902 -2.6902 -2.6229 -2.6229 -2.5930 -2.5930 -2.3235 -2.3235 -2.2163 -2.2163 0.7139 0.7139 1.0480 1.0480 3.0710 3.0710 3.5473 3.5473 3.8772 3.8772 4.2923 4.2923 7.3339 7.3339 7.7325 7.7325 9.3390 9.3390 9.4198 9.4198 k = 0.5000 0.2887 0.1746 ( 3592 PWs) bands (ev): -5.5709 -5.5709 -5.4933 -5.4933 -3.3800 -3.3800 -3.3355 -3.3355 -3.1979 -3.1979 -3.0781 -3.0781 -2.7421 -2.7421 -2.6870 -2.6870 -2.6248 -2.6248 -2.5920 -2.5920 -2.3285 -2.3285 -2.2099 -2.2099 0.7141 0.7141 1.0841 1.0841 2.9963 2.9963 3.5149 3.5149 3.8801 3.8801 4.3148 4.3148 7.3607 7.3607 7.7331 7.7331 9.4040 9.4040 9.5170 9.5170 k = 0.5000 0.2887 0.1600 ( 3600 PWs) bands (ev): -5.5752 -5.5752 -5.4905 -5.4905 -3.3817 -3.3817 -3.3329 -3.3329 -3.2026 -3.2026 -3.0716 -3.0716 -2.7444 -2.7444 -2.6840 -2.6840 -2.6266 -2.6266 -2.5911 -2.5911 -2.3331 -2.3331 -2.2038 -2.2038 0.7165 0.7165 1.1203 1.1203 2.9226 2.9226 3.4848 3.4848 3.8768 3.8768 4.3358 4.3358 7.3969 7.3969 7.7300 7.7300 9.4499 9.4499 9.6358 9.6358 k = 0.5000 0.2887 0.1455 ( 3600 PWs) bands (ev): -5.5791 -5.5791 -5.4880 -5.4880 -3.3833 -3.3833 -3.3305 -3.3305 -3.2070 -3.2070 -3.0655 -3.0655 -2.7466 -2.7466 -2.6810 -2.6810 -2.6283 -2.6283 -2.5904 -2.5904 -2.3373 -2.3373 -2.1980 -2.1980 0.7209 0.7209 1.1562 1.1562 2.8507 2.8507 3.4572 3.4572 3.8675 3.8675 4.3559 4.3559 7.4408 7.4408 7.7248 7.7248 9.4809 9.4809 9.7670 9.7670 k = 0.5000 0.2887 0.1309 ( 3598 PWs) bands (ev): -5.5829 -5.5829 -5.4857 -5.4857 -3.3848 -3.3848 -3.3282 -3.3282 -3.2110 -3.2110 -3.0597 -3.0597 -2.7486 -2.7486 -2.6782 -2.6782 -2.6299 -2.6299 -2.5898 -2.5898 -2.3412 -2.3412 -2.1927 -2.1927 0.7270 0.7270 1.1913 1.1913 2.7818 2.7818 3.4322 3.4322 3.8530 3.8530 4.3753 4.3753 7.4902 7.4902 7.7194 7.7194 9.4974 9.4974 9.9056 9.9056 k = 0.5000 0.2887 0.1164 ( 3600 PWs) bands (ev): -5.5863 -5.5863 -5.4837 -5.4837 -3.3861 -3.3861 -3.3260 -3.3260 -3.2146 -3.2146 -3.0544 -3.0544 -2.7504 -2.7504 -2.6755 -2.6755 -2.6314 -2.6314 -2.5894 -2.5894 -2.3447 -2.3447 -2.1878 -2.1878 0.7344 0.7344 1.2252 1.2252 2.7168 2.7168 3.4098 3.4098 3.8344 3.8344 4.3940 4.3940 7.5417 7.5417 7.7162 7.7162 9.4993 9.4993 10.0483 10.0483 k = 0.5000 0.2887 0.1018 ( 3598 PWs) bands (ev): -5.5894 -5.5894 -5.4819 -5.4819 -3.3872 -3.3872 -3.3240 -3.3240 -3.2179 -3.2179 -3.0496 -3.0496 -2.7520 -2.7520 -2.6729 -2.6729 -2.6329 -2.6329 -2.5891 -2.5891 -2.3477 -2.3477 -2.1834 -2.1834 0.7427 0.7427 1.2572 1.2572 2.6565 2.6565 3.3901 3.3901 3.8131 3.8131 4.4116 4.4116 7.5888 7.5888 7.7205 7.7205 9.4874 9.4874 10.1923 10.1923 k = 0.5000 0.2887 0.0873 ( 3588 PWs) bands (ev): -5.5921 -5.5921 -5.4803 -5.4803 -3.3883 -3.3883 -3.3222 -3.3222 -3.2208 -3.2208 -3.0453 -3.0453 -2.7534 -2.7534 -2.6706 -2.6706 -2.6342 -2.6342 -2.5889 -2.5889 -2.3504 -2.3504 -2.1795 -2.1795 0.7514 0.7514 1.2867 1.2867 2.6019 2.6019 3.3730 3.3730 3.7908 3.7908 4.4279 4.4279 7.6209 7.6209 7.7412 7.7412 9.4639 9.4639 10.3345 10.3345 k = 0.5000 0.2887 0.0727 ( 3588 PWs) bands (ev): -5.5945 -5.5945 -5.4790 -5.4790 -3.3891 -3.3891 -3.3206 -3.3206 -3.2234 -3.2234 -3.0416 -3.0416 -2.7546 -2.7546 -2.6685 -2.6685 -2.6354 -2.6354 -2.5888 -2.5888 -2.3527 -2.3527 -2.1761 -2.1761 0.7599 0.7599 1.3131 1.3131 2.5538 2.5538 3.3586 3.3586 3.7690 3.7690 4.4425 4.4425 7.6336 7.6336 7.7806 7.7806 9.4323 9.4323 10.4693 10.4693 k = 0.5000 0.2887 0.0582 ( 3580 PWs) bands (ev): -5.5964 -5.5964 -5.4780 -5.4780 -3.3898 -3.3898 -3.3192 -3.3192 -3.2254 -3.2254 -3.0385 -3.0385 -2.7557 -2.7557 -2.6666 -2.6666 -2.6364 -2.6364 -2.5888 -2.5888 -2.3545 -2.3545 -2.1734 -2.1734 0.7679 0.7679 1.3357 1.3357 2.5131 2.5131 3.3469 3.3469 3.7489 3.7489 4.4549 4.4549 7.6357 7.6357 7.8273 7.8273 9.3970 9.3970 10.4646 10.4646 k = 0.5000 0.2887 0.0436 ( 3580 PWs) bands (ev): -5.5980 -5.5980 -5.4771 -5.4771 -3.3904 -3.3904 -3.3182 -3.3182 -3.2271 -3.2271 -3.0360 -3.0360 -2.7565 -2.7565 -2.6651 -2.6651 -2.6373 -2.6373 -2.5888 -2.5888 -2.3559 -2.3559 -2.1712 -2.1712 0.7748 0.7748 1.3541 1.3541 2.4805 2.4805 3.3377 3.3377 3.7320 3.7320 4.4649 4.4649 7.6343 7.6343 7.8716 7.8716 9.3626 9.3626 10.4357 10.4357 k = 0.5000 0.2887 0.0291 ( 3580 PWs) bands (ev): -5.5991 -5.5991 -5.4766 -5.4766 -3.3908 -3.3908 -3.3174 -3.3174 -3.2283 -3.2283 -3.0343 -3.0343 -2.7570 -2.7570 -2.6639 -2.6639 -2.6380 -2.6380 -2.5888 -2.5888 -2.3570 -2.3570 -2.1696 -2.1696 0.7800 0.7800 1.3676 1.3676 2.4567 2.4567 3.3312 3.3312 3.7191 3.7191 4.4723 4.4723 7.6323 7.6323 7.9073 7.9073 9.3337 9.3337 10.4149 10.4149 k = 0.5000 0.2887 0.0145 ( 3578 PWs) bands (ev): -5.5998 -5.5998 -5.4762 -5.4762 -3.3910 -3.3910 -3.3169 -3.3169 -3.2290 -3.2290 -3.0332 -3.0332 -2.7574 -2.7574 -2.6632 -2.6632 -2.6384 -2.6384 -2.5888 -2.5888 -2.3576 -2.3576 -2.1687 -2.1687 0.7833 0.7833 1.3759 1.3759 2.4422 2.4422 3.3273 3.3273 3.7110 3.7110 4.4767 4.4767 7.6307 7.6307 7.9305 7.9305 9.3145 9.3145 10.4023 10.4023 k = 0.5000 0.2887-0.0000 ( 3586 PWs) bands (ev): -5.6000 -5.6000 -5.4761 -5.4761 -3.3911 -3.3911 -3.3167 -3.3167 -3.2292 -3.2292 -3.0329 -3.0329 -2.7575 -2.7575 -2.6629 -2.6629 -2.6385 -2.6385 -2.5888 -2.5888 -2.3578 -2.3578 -2.1684 -2.1684 0.7845 0.7845 1.3787 1.3787 2.4373 2.4373 3.3260 3.3260 3.7083 3.7083 4.4782 4.4782 7.6302 7.6302 7.9386 7.9386 9.3078 9.3078 10.3981 10.3981 k = 0.3333 0.5774-0.0000 ( 3600 PWs) bands (ev): -5.5181 -5.5181 -5.5127 -5.4845 -3.3783 -3.3783 -3.3071 -3.3062 -3.3062 -3.1431 -3.0312 -3.0312 -2.7400 -2.7400 -2.6670 -2.6383 -2.6295 -2.6295 -2.5861 -2.5861 -2.2596 -2.2596 -2.2196 -2.0830 0.9678 1.1783 1.2901 1.2901 2.0935 2.0935 3.0658 3.1564 3.1564 3.3253 3.5474 3.5474 8.5355 8.5355 9.0455 9.5226 9.5632 9.5632 11.4640 11.5500 k = 0.3333 0.5774 0.0145 ( 3594 PWs) bands (ev): -5.5181 -5.5181 -5.5126 -5.4845 -3.3782 -3.3782 -3.3069 -3.3062 -3.3062 -3.1433 -3.0314 -3.0314 -2.7398 -2.7398 -2.6670 -2.6385 -2.6296 -2.6296 -2.5861 -2.5861 -2.2597 -2.2597 -2.2192 -2.0831 0.9663 1.1757 1.2879 1.2879 2.0949 2.0949 3.0707 3.1589 3.1589 3.3290 3.5470 3.5470 8.5403 8.5403 9.0403 9.5151 9.5553 9.5553 11.3820 11.5826 k = 0.3333 0.5774 0.0291 ( 3588 PWs) bands (ev): -5.5179 -5.5179 -5.5123 -5.4845 -3.3780 -3.3780 -3.3064 -3.3063 -3.3063 -3.1441 -3.0320 -3.0320 -2.7393 -2.7393 -2.6671 -2.6390 -2.6297 -2.6297 -2.5861 -2.5861 -2.2598 -2.2598 -2.2183 -2.0834 0.9619 1.1679 1.2812 1.2812 2.0991 2.0991 3.0852 3.1661 3.1661 3.3402 3.5463 3.5463 8.5546 8.5546 9.0246 9.4928 9.5317 9.5317 11.2752 11.5127 k = 0.3333 0.5774 0.0436 ( 3597 PWs) bands (ev): -5.5176 -5.5176 -5.5118 -5.4844 -3.3778 -3.3778 -3.3064 -3.3064 -3.3055 -3.1454 -3.0330 -3.0330 -2.7385 -2.7385 -2.6672 -2.6398 -2.6300 -2.6300 -2.5862 -2.5862 -2.2599 -2.2599 -2.2168 -2.0839 0.9547 1.1553 1.2704 1.2704 2.1062 2.1062 3.1089 3.1767 3.1767 3.3585 3.5460 3.5460 8.5782 8.5782 8.9987 9.4558 9.4930 9.4930 11.1752 11.4309 k = 0.3333 0.5774 0.0582 ( 3603 PWs) bands (ev): -5.5173 -5.5173 -5.5112 -5.4843 -3.3774 -3.3774 -3.3065 -3.3065 -3.3043 -3.1473 -3.0343 -3.0343 -2.7373 -2.7373 -2.6674 -2.6409 -2.6303 -2.6303 -2.5863 -2.5863 -2.2601 -2.2601 -2.2146 -2.0846 0.9451 1.1384 1.2559 1.2559 2.1159 2.1159 3.1411 3.1888 3.1888 3.3835 3.5479 3.5479 8.6111 8.6111 8.9630 9.4045 9.4399 9.4399 11.0854 11.3520 k = 0.3333 0.5774 0.0727 ( 3603 PWs) bands (ev): -5.5168 -5.5168 -5.5104 -5.4842 -3.3770 -3.3770 -3.3066 -3.3066 -3.3027 -3.1496 -3.0359 -3.0359 -2.7359 -2.7359 -2.6676 -2.6422 -2.6308 -2.6308 -2.5864 -2.5864 -2.2603 -2.2603 -2.2119 -2.0856 0.9333 1.1178 1.2383 1.2383 2.1283 2.1283 3.1810 3.1995 3.1995 3.4147 3.5542 3.5542 8.6529 8.6529 8.9179 9.3399 9.3738 9.3738 11.0071 11.2811 k = 0.3333 0.5774 0.0873 ( 3609 PWs) bands (ev): -5.5163 -5.5163 -5.5095 -5.4841 -3.3765 -3.3765 -3.3068 -3.3068 -3.3008 -3.1524 -3.0379 -3.0379 -2.7342 -2.7342 -2.6678 -2.6438 -2.6313 -2.6313 -2.5865 -2.5865 -2.2606 -2.2606 -2.2087 -2.0867 0.9198 1.0944 1.2182 1.2182 2.1434 2.1434 3.2058 3.2058 3.2277 3.4513 3.5673 3.5673 8.7033 8.7033 8.8643 9.2633 9.2966 9.2966 10.9405 11.2062 k = 0.3333 0.5774 0.1018 ( 3594 PWs) bands (ev): -5.5157 -5.5157 -5.5084 -5.4840 -3.3759 -3.3759 -3.3070 -3.3070 -3.2985 -3.1557 -3.0400 -3.0400 -2.7323 -2.7323 -2.6681 -2.6455 -2.6319 -2.6319 -2.5866 -2.5866 -2.2609 -2.2609 -2.2051 -2.0881 0.9050 1.0688 1.1963 1.1963 2.1609 2.1609 3.2051 3.2051 3.2800 3.4926 3.5893 3.5893 8.7615 8.7615 8.8033 9.1765 9.2104 9.2104 10.8853 11.1318 k = 0.3333 0.5774 0.1164 ( 3597 PWs) bands (ev): -5.5150 -5.5150 -5.5072 -5.4839 -3.3752 -3.3752 -3.3073 -3.3073 -3.2959 -3.1594 -3.0423 -3.0423 -2.7302 -2.7302 -2.6684 -2.6474 -2.6326 -2.6326 -2.5868 -2.5868 -2.2613 -2.2613 -2.2010 -2.0898 0.8893 1.0417 1.1733 1.1733 2.1808 2.1808 3.1962 3.1962 3.3369 3.5377 3.6206 3.6206 8.7361 8.8262 8.8262 9.0818 9.1188 9.1188 10.8405 11.0661 k = 0.3333 0.5774 0.1309 ( 3597 PWs) bands (ev): -5.5143 -5.5143 -5.5059 -5.4838 -3.3745 -3.3745 -3.3075 -3.3075 -3.2929 -3.1636 -3.0448 -3.0448 -2.7280 -2.7280 -2.6687 -2.6493 -2.6334 -2.6334 -2.5870 -2.5870 -2.2616 -2.2616 -2.1965 -2.0916 0.8733 1.0139 1.1497 1.1497 2.2030 2.2030 3.1795 3.1795 3.3972 3.5857 3.6601 3.6601 8.6642 8.8907 8.8907 8.9816 9.0302 9.0302 10.8048 11.0089 k = 0.3333 0.5774 0.1455 ( 3606 PWs) bands (ev): -5.5136 -5.5136 -5.5045 -5.4837 -3.3738 -3.3738 -3.3078 -3.3078 -3.2896 -3.1682 -3.0473 -3.0473 -2.7257 -2.7257 -2.6690 -2.6514 -2.6343 -2.6343 -2.5871 -2.5871 -2.2620 -2.2620 -2.1918 -2.0937 0.8574 0.9859 1.1261 1.1261 2.2274 2.2274 3.1560 3.1560 3.4599 3.6354 3.7061 3.7061 8.5894 8.8781 8.8881 8.8881 9.0136 9.0136 10.7771 10.9594 k = 0.3333 0.5774 0.1600 ( 3609 PWs) bands (ev): -5.5128 -5.5128 -5.5031 -5.4838 -3.3730 -3.3730 -3.3081 -3.3081 -3.2859 -3.1731 -3.0498 -3.0498 -2.7234 -2.7234 -2.6693 -2.6534 -2.6352 -2.6352 -2.5873 -2.5873 -2.2624 -2.2624 -2.1868 -2.0960 0.8419 0.9584 1.1031 1.1031 2.2537 2.2537 3.1273 3.1273 3.5237 3.6858 3.7563 3.7563 8.5135 8.7738 8.7999 8.7999 9.0894 9.0894 10.7559 10.9171 k = 0.3333 0.5774 0.1746 ( 3603 PWs) bands (ev): -5.5121 -5.5121 -5.5016 -5.4838 -3.3722 -3.3722 -3.3084 -3.3084 -3.2819 -3.1783 -3.0523 -3.0523 -2.7211 -2.7211 -2.6696 -2.6554 -2.6361 -2.6361 -2.5875 -2.5875 -2.2628 -2.2628 -2.1815 -2.0986 0.8273 0.9317 1.0811 1.0811 2.2818 2.2818 3.0946 3.0946 3.5875 3.7358 3.8088 3.8088 8.4383 8.6708 8.7032 8.7032 9.1820 9.1820 10.7402 10.8811 k = 0.3333 0.5774 0.1891 ( 3600 PWs) bands (ev): -5.5114 -5.5114 -5.5000 -5.4840 -3.3714 -3.3714 -3.3087 -3.3087 -3.2776 -3.1839 -3.0547 -3.0547 -2.7188 -2.7188 -2.6698 -2.6573 -2.6370 -2.6370 -2.5876 -2.5876 -2.2631 -2.2631 -2.1762 -2.1015 0.8139 0.9062 1.0604 1.0604 2.3115 2.3115 3.0591 3.0591 3.6502 3.7841 3.8616 3.8616 8.3658 8.5711 8.6086 8.6086 9.2825 9.2825 10.7290 10.8507 k = 0.3333 0.5774 0.2037 ( 3606 PWs) bands (ev): -5.5108 -5.5108 -5.4985 -5.4842 -3.3707 -3.3707 -3.3089 -3.3089 -3.2730 -3.1897 -3.0569 -3.0569 -2.7166 -2.7166 -2.6699 -2.6592 -2.6380 -2.6380 -2.5878 -2.5878 -2.2635 -2.2635 -2.1707 -2.1046 0.8020 0.8824 1.0415 1.0415 2.3424 2.3424 3.0218 3.0218 3.7105 3.8296 3.9131 3.9131 8.2978 8.4766 8.5193 8.5193 9.3891 9.3891 10.7215 10.8251 k = 0.3333 0.5774 0.2182 ( 3600 PWs) bands (ev): -5.5101 -5.5101 -5.4970 -5.4846 -3.3700 -3.3700 -3.3092 -3.3092 -3.2680 -3.1957 -3.0589 -3.0589 -2.7146 -2.7146 -2.6700 -2.6609 -2.6389 -2.6389 -2.5879 -2.5879 -2.2638 -2.2638 -2.1652 -2.1080 0.7919 0.8605 1.0245 1.0245 2.3740 2.3740 2.9837 2.9837 3.7672 3.8709 3.9616 3.9616 8.2362 8.3889 8.4373 8.4373 9.5010 9.5010 10.7170 10.8036 k = 0.3333 0.5774 0.2327 ( 3600 PWs) bands (ev): -5.5096 -5.5096 -5.4954 -5.4850 -3.3694 -3.3694 -3.3095 -3.3095 -3.2628 -3.2018 -3.0607 -3.0607 -2.7128 -2.7128 -2.6700 -2.6625 -2.6397 -2.6397 -2.5880 -2.5880 -2.2641 -2.2641 -2.1597 -2.1116 0.7838 0.8408 1.0098 1.0098 2.4058 2.4058 2.9458 2.9458 3.8193 3.9070 4.0056 4.0056 8.1826 8.3096 8.3646 8.3646 9.6175 9.6175 10.7150 10.7856 k = 0.3333 0.5774 0.2473 ( 3612 PWs) bands (ev): -5.5091 -5.5091 -5.4940 -5.4856 -3.3689 -3.3689 -3.3097 -3.3097 -3.2574 -3.2081 -3.0622 -3.0622 -2.7112 -2.7112 -2.6699 -2.6639 -2.6405 -2.6405 -2.5881 -2.5881 -2.2643 -2.2643 -2.1542 -2.1155 0.7780 0.8234 0.9975 0.9975 2.4369 2.4369 2.9095 2.9095 3.8655 3.9365 4.0438 4.0438 8.1387 8.2402 8.3027 8.3027 9.7379 9.7379 10.7150 10.7704 k = 0.3333 0.5774 0.2618 ( 3609 PWs) bands (ev): -5.5088 -5.5088 -5.4926 -5.4862 -3.3684 -3.3684 -3.3099 -3.3099 -3.2517 -3.2145 -3.0634 -3.0634 -2.7099 -2.7099 -2.6697 -2.6652 -2.6411 -2.6411 -2.5882 -2.5882 -2.2645 -2.2645 -2.1488 -2.1196 0.7745 0.8085 0.9878 0.9878 2.4656 2.4656 2.8763 2.8763 3.9048 3.9587 4.0749 4.0749 8.1058 8.1819 8.2530 8.2530 9.8613 9.8613 10.6679 10.6679 k = 0.3333 0.5774 0.2764 ( 3618 PWs) bands (ev): -5.5085 -5.5085 -5.4913 -5.4870 -3.3681 -3.3681 -3.3100 -3.3100 -3.2458 -3.2208 -3.0643 -3.0643 -2.7090 -2.7090 -2.6693 -2.6664 -2.6415 -2.6415 -2.5883 -2.5883 -2.2646 -2.2646 -2.1435 -2.1240 0.7735 0.7961 0.9808 0.9808 2.4900 2.4900 2.8487 2.8487 3.9363 3.9725 4.0980 4.0980 8.0851 8.1359 8.2165 8.2165 9.9860 9.9860 10.5396 10.5396 k = 0.3333 0.5774 0.2909 ( 3618 PWs) bands (ev): -5.5083 -5.5083 -5.4901 -5.4879 -3.3679 -3.3679 -3.3101 -3.3101 -3.2397 -3.2272 -3.0649 -3.0649 -2.7084 -2.7084 -2.6688 -2.6673 -2.6418 -2.6418 -2.5883 -2.5883 -2.2647 -2.2647 -2.1384 -2.1286 0.7751 0.7864 0.9766 0.9766 2.5068 2.5068 2.8298 2.8298 3.9591 3.9773 4.1121 4.1121 8.0774 8.1028 8.1943 8.1943 10.1068 10.1068 10.4162 10.4162 k = 0.3333 0.5774 0.3055 ( 3618 PWs) bands (ev): -5.5083 -5.5083 -5.4889 -5.4889 -3.3679 -3.3679 -3.3101 -3.3101 -3.2335 -3.2335 -3.0651 -3.0651 -2.7082 -2.7082 -2.6681 -2.6681 -2.6419 -2.6419 -2.5883 -2.5883 -2.2647 -2.2647 -2.1334 -2.1334 0.7794 0.7794 0.9752 0.9752 2.5130 2.5130 2.8230 2.8230 3.9729 3.9729 4.1169 4.1169 8.0832 8.0832 8.1869 8.1869 10.1823 10.1823 10.3398 10.3398 Writing output data file CdTe.save init_run : 3.97s CPU 12.21s WALL ( 1 calls) electrons : 559.93s CPU 566.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.46s CPU 1.64s WALL ( 1 calls) Called by electrons: c_bands : 559.83s CPU 566.50s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.91s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.06s CPU 0.61s WALL ( 1 calls) newd : 0.79s CPU 0.93s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 290 calls) cegterg : 506.19s CPU 509.70s WALL ( 764 calls) Called by sum_band: Called by *egterg: h_psi : 238.27s CPU 245.98s WALL ( 13552 calls) s_psi : 26.22s CPU 26.53s WALL ( 13552 calls) g_psi : 0.46s CPU 0.54s WALL ( 12498 calls) cdiaghg : 178.90s CPU 176.37s WALL ( 12788 calls) cegterg:over : 38.86s CPU 35.07s WALL ( 12498 calls) cegterg:upda : 6.47s CPU 10.07s WALL ( 12498 calls) cegterg:last : 6.02s CPU 6.82s WALL ( 1955 calls) Called by h_psi: h_psi:vloc : 188.11s CPU 194.45s WALL ( 13552 calls) h_psi:vnl : 49.92s CPU 50.94s WALL ( 13552 calls) add_vuspsi : 16.64s CPU 21.00s WALL ( 13552 calls) General routines calbec : 33.23s CPU 29.79s WALL ( 13552 calls) fft : 0.46s CPU 1.48s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 164.01s CPU 165.76s WALL ( 1042048 calls) interpolate : 0.14s CPU 0.19s WALL ( 4 calls) davcio : 0.03s CPU 1.94s WALL ( 580 calls) Parallel routines fft_scatter : 100.86s CPU 101.48s WALL ( 1042071 calls) PWSCF : 10m 9.16s CPU 11m29.83s WALL This run was terminated on: 7:22: 6 23Jun2015 =------------------------------------------------------------------------------= JOB DONE. 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