Program PWSCF v.5.1.1 starts on 16Jul2015 at 13:36:19 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: ./Ag2S.save/ 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 30 30 9 1323 1323 207 Max 31 31 13 1332 1332 212 Sum 1485 1485 437 63769 63769 10021 bravais-lattice index = 14 lattice parameter (alat) = 12.9635 a.u. unit-cell volume = 1539.9958 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.963520 celldm(2)= 0.612245 celldm(3)= 1.172474 celldm(4)= 0.174022 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.612245 0.000000 ) a(3) = ( 0.000000 0.204037 1.154584 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.633333 -0.288641 ) b(3) = ( 0.000000 0.000000 0.866113 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 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 Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 S 6.00 32.06500 S( 1.00) Ag 11.00 107.86820 Ag( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 236 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 2) = ( 0.0000000 0.0000000 0.0216528), wk = 0.0042373 k( 3) = ( 0.0000000 0.0000000 0.0433056), wk = 0.0042373 k( 4) = ( 0.0000000 0.0000000 0.0649585), wk = 0.0042373 k( 5) = ( 0.0000000 0.0000000 0.0866113), wk = 0.0042373 k( 6) = ( 0.0000000 0.0000000 0.1082641), wk = 0.0042373 k( 7) = ( 0.0000000 0.0000000 0.1299169), wk = 0.0042373 k( 8) = ( 0.0000000 0.0000000 0.1515697), wk = 0.0042373 k( 9) = ( 0.0000000 0.0000000 0.1732226), wk = 0.0042373 k( 10) = ( 0.0000000 0.0000000 0.1948754), wk = 0.0042373 k( 11) = ( 0.0000000 0.0000000 0.2165282), wk = 0.0042373 k( 12) = ( 0.0000000 0.0000000 0.2381810), wk = 0.0042373 k( 13) = ( 0.0000000 0.0000000 0.2598339), wk = 0.0042373 k( 14) = ( 0.0000000 0.0000000 0.2814867), wk = 0.0042373 k( 15) = ( 0.0000000 0.0000000 0.3031395), wk = 0.0042373 k( 16) = ( 0.0000000 0.0000000 0.3247923), wk = 0.0042373 k( 17) = ( 0.0000000 0.0000000 0.3464451), wk = 0.0042373 k( 18) = ( 0.0000000 0.0000000 0.3680980), wk = 0.0042373 k( 19) = ( 0.0000000 0.0000000 0.3897508), wk = 0.0042373 k( 20) = ( 0.0000000 0.0000000 0.4114036), wk = 0.0042373 k( 21) = ( 0.0000000 0.0000000 0.4330564), wk = 0.0042373 k( 22) = ( 0.0000000 0.0000000 0.4330564), wk = 0.0042373 k( 23) = ( 0.0000000 0.0212678 0.4330564), wk = 0.0042373 k( 24) = ( 0.0000000 0.0425356 0.4330564), wk = 0.0042373 k( 25) = ( 0.0000000 0.0638035 0.4330564), wk = 0.0042373 k( 26) = ( 0.0000000 0.0850713 0.4330564), wk = 0.0042373 k( 27) = ( 0.0000000 0.1063391 0.4330564), wk = 0.0042373 k( 28) = ( 0.0000000 0.1276069 0.4330564), wk = 0.0042373 k( 29) = ( 0.0000000 0.1488748 0.4330564), wk = 0.0042373 k( 30) = ( 0.0000000 0.1701426 0.4330564), wk = 0.0042373 k( 31) = ( 0.0000000 0.1914104 0.4330564), wk = 0.0042373 k( 32) = ( 0.0000000 0.2126782 0.4330564), wk = 0.0042373 k( 33) = ( 0.0000000 0.2339460 0.4330564), wk = 0.0042373 k( 34) = ( 0.0000000 0.2552139 0.4330564), wk = 0.0042373 k( 35) = ( 0.0000000 0.2764817 0.4330564), wk = 0.0042373 k( 36) = ( 0.0000000 0.2977495 0.4330564), wk = 0.0042373 k( 37) = ( 0.0000000 0.3190173 0.4330564), wk = 0.0042373 k( 38) = ( 0.0000000 0.3402852 0.4330564), wk = 0.0042373 k( 39) = ( 0.0000000 0.3615530 0.4330564), wk = 0.0042373 k( 40) = ( 0.0000000 0.3828208 0.4330564), wk = 0.0042373 k( 41) = ( 0.0000000 0.4040886 0.4330564), wk = 0.0042373 k( 42) = ( 0.0000000 0.4253564 0.4330564), wk = 0.0042373 k( 43) = ( 0.0000000 0.4466243 0.4330564), wk = 0.0042373 k( 44) = ( 0.0000000 0.4678921 0.4330564), wk = 0.0042373 k( 45) = ( 0.0000000 0.4891599 0.4330564), wk = 0.0042373 k( 46) = ( 0.0000000 0.5104277 0.4330564), wk = 0.0042373 k( 47) = ( 0.0000000 0.5316956 0.4330564), wk = 0.0042373 k( 48) = ( 0.0000000 0.5529634 0.4330564), wk = 0.0042373 k( 49) = ( 0.0000000 0.5742312 0.4330564), wk = 0.0042373 k( 50) = ( 0.0000000 0.5954990 0.4330564), wk = 0.0042373 k( 51) = ( 0.0000000 0.6167668 0.4330564), wk = 0.0042373 k( 52) = ( 0.0000000 0.6380347 0.4330564), wk = 0.0042373 k( 53) = ( 0.0000000 0.6593025 0.4330564), wk = 0.0042373 k( 54) = ( 0.0000000 0.6805703 0.4330564), wk = 0.0042373 k( 55) = ( 0.0000000 0.7018381 0.4330564), wk = 0.0042373 k( 56) = ( 0.0000000 0.7231060 0.4330564), wk = 0.0042373 k( 57) = ( 0.0000000 0.7443738 0.4330564), wk = 0.0042373 k( 58) = ( 0.0000000 0.7656416 0.4330564), wk = 0.0042373 k( 59) = ( 0.0000000 0.7656416 0.4330564), wk = 0.0042373 k( 60) = ( 0.0000000 0.7720197 0.4150164), wk = 0.0042373 k( 61) = ( 0.0000000 0.7783979 0.3969764), wk = 0.0042373 k( 62) = ( 0.0000000 0.7847760 0.3789363), wk = 0.0042373 k( 63) = ( 0.0000000 0.7911541 0.3608963), wk = 0.0042373 k( 64) = ( 0.0000000 0.7975323 0.3428563), wk = 0.0042373 k( 65) = ( 0.0000000 0.8039104 0.3248162), wk = 0.0042373 k( 66) = ( 0.0000000 0.8102885 0.3067762), wk = 0.0042373 k( 67) = ( 0.0000000 0.8166667 0.2887362), wk = 0.0042373 k( 68) = ( 0.0000000 0.8166667 0.2887362), wk = 0.0042373 k( 69) = ( 0.0217391 0.8166667 0.2887362), wk = 0.0042373 k( 70) = ( 0.0434783 0.8166667 0.2887362), wk = 0.0042373 k( 71) = ( 0.0652174 0.8166667 0.2887362), wk = 0.0042373 k( 72) = ( 0.0869565 0.8166667 0.2887362), wk = 0.0042373 k( 73) = ( 0.1086957 0.8166667 0.2887362), wk = 0.0042373 k( 74) = ( 0.1304348 0.8166667 0.2887362), wk = 0.0042373 k( 75) = ( 0.1521739 0.8166667 0.2887362), wk = 0.0042373 k( 76) = ( 0.1739130 0.8166667 0.2887362), wk = 0.0042373 k( 77) = ( 0.1956522 0.8166667 0.2887362), wk = 0.0042373 k( 78) = ( 0.2173913 0.8166667 0.2887362), wk = 0.0042373 k( 79) = ( 0.2391304 0.8166667 0.2887362), wk = 0.0042373 k( 80) = ( 0.2608696 0.8166667 0.2887362), wk = 0.0042373 k( 81) = ( 0.2826087 0.8166667 0.2887362), wk = 0.0042373 k( 82) = ( 0.3043478 0.8166667 0.2887362), wk = 0.0042373 k( 83) = ( 0.3260870 0.8166667 0.2887362), wk = 0.0042373 k( 84) = ( 0.3478261 0.8166667 0.2887362), wk = 0.0042373 k( 85) = ( 0.3695652 0.8166667 0.2887362), wk = 0.0042373 k( 86) = ( 0.3913044 0.8166667 0.2887362), wk = 0.0042373 k( 87) = ( 0.4130435 0.8166667 0.2887362), wk = 0.0042373 k( 88) = ( 0.4347826 0.8166667 0.2887362), wk = 0.0042373 k( 89) = ( 0.4565217 0.8166667 0.2887362), wk = 0.0042373 k( 90) = ( 0.4782609 0.8166667 0.2887362), wk = 0.0042373 k( 91) = ( 0.5000000 0.8166667 0.2887362), wk = 0.0042373 k( 92) = ( 0.5000000 0.8166667 0.2887362), wk = 0.0042373 k( 93) = ( 0.5000000 0.8230448 0.2706961), wk = 0.0042373 k( 94) = ( 0.5000000 0.8294229 0.2526561), wk = 0.0042373 k( 95) = ( 0.5000000 0.8358011 0.2346161), wk = 0.0042373 k( 96) = ( 0.5000000 0.8421792 0.2165760), wk = 0.0042373 k( 97) = ( 0.5000000 0.8485573 0.1985360), wk = 0.0042373 k( 98) = ( 0.5000000 0.8549355 0.1804960), wk = 0.0042373 k( 99) = ( 0.5000000 0.8613136 0.1624559), wk = 0.0042373 k( 100) = ( 0.5000000 0.8676917 0.1444159), wk = 0.0042373 k( 101) = ( 0.5000000 0.8676917 0.1444159), wk = 0.0042373 k( 102) = ( 0.5000000 0.8640471 0.1237919), wk = 0.0042373 k( 103) = ( 0.5000000 0.8604024 0.1031679), wk = 0.0042373 k( 104) = ( 0.5000000 0.8567578 0.0825439), wk = 0.0042373 k( 105) = ( 0.5000000 0.8531131 0.0619199), wk = 0.0042373 k( 106) = ( 0.5000000 0.8494685 0.0412958), wk = 0.0042373 k( 107) = ( 0.5000000 0.8458239 0.0206718), wk = 0.0042373 k( 108) = ( 0.5000000 0.8421792 0.0000478), wk = 0.0042373 k( 109) = ( 0.5000000 0.8385345 -0.0205762), wk = 0.0042373 k( 110) = ( 0.5000000 0.8348899 -0.0412002), wk = 0.0042373 k( 111) = ( 0.5000000 0.8312453 -0.0618242), wk = 0.0042373 k( 112) = ( 0.5000000 0.8276006 -0.0824482), wk = 0.0042373 k( 113) = ( 0.5000000 0.8239560 -0.1030722), wk = 0.0042373 k( 114) = ( 0.5000000 0.8203113 -0.1236963), wk = 0.0042373 k( 115) = ( 0.5000000 0.8166667 -0.1443203), wk = 0.0042373 k( 116) = ( 0.5000000 0.8166667 -0.1443203), wk = 0.0042373 k( 117) = ( 0.4782609 0.8166667 -0.1443203), wk = 0.0042373 k( 118) = ( 0.4565217 0.8166667 -0.1443203), wk = 0.0042373 k( 119) = ( 0.4347826 0.8166667 -0.1443203), wk = 0.0042373 k( 120) = ( 0.4130435 0.8166667 -0.1443203), wk = 0.0042373 k( 121) = ( 0.3913044 0.8166667 -0.1443203), wk = 0.0042373 k( 122) = ( 0.3695652 0.8166667 -0.1443203), wk = 0.0042373 k( 123) = ( 0.3478261 0.8166667 -0.1443203), wk = 0.0042373 k( 124) = ( 0.3260870 0.8166667 -0.1443203), wk = 0.0042373 k( 125) = ( 0.3043478 0.8166667 -0.1443203), wk = 0.0042373 k( 126) = ( 0.2826087 0.8166667 -0.1443203), wk = 0.0042373 k( 127) = ( 0.2608696 0.8166667 -0.1443203), wk = 0.0042373 k( 128) = ( 0.2391304 0.8166667 -0.1443203), wk = 0.0042373 k( 129) = ( 0.2173913 0.8166667 -0.1443203), wk = 0.0042373 k( 130) = ( 0.1956522 0.8166667 -0.1443203), wk = 0.0042373 k( 131) = ( 0.1739130 0.8166667 -0.1443203), wk = 0.0042373 k( 132) = ( 0.1521739 0.8166667 -0.1443203), wk = 0.0042373 k( 133) = ( 0.1304348 0.8166667 -0.1443203), wk = 0.0042373 k( 134) = ( 0.1086957 0.8166667 -0.1443203), wk = 0.0042373 k( 135) = ( 0.0869565 0.8166667 -0.1443203), wk = 0.0042373 k( 136) = ( 0.0652174 0.8166667 -0.1443203), wk = 0.0042373 k( 137) = ( 0.0434783 0.8166667 -0.1443203), wk = 0.0042373 k( 138) = ( 0.0217391 0.8166667 -0.1443203), wk = 0.0042373 k( 139) = ( 0.0000000 0.8166667 -0.1443203), wk = 0.0042373 k( 140) = ( 0.0000000 0.8166667 -0.1443203), wk = 0.0042373 k( 141) = ( 0.0000000 0.8203113 -0.1236963), wk = 0.0042373 k( 142) = ( 0.0000000 0.8239560 -0.1030722), wk = 0.0042373 k( 143) = ( 0.0000000 0.8276006 -0.0824482), wk = 0.0042373 k( 144) = ( 0.0000000 0.8312453 -0.0618242), wk = 0.0042373 k( 145) = ( 0.0000000 0.8348899 -0.0412002), wk = 0.0042373 k( 146) = ( 0.0000000 0.8385345 -0.0205762), wk = 0.0042373 k( 147) = ( 0.0000000 0.8421792 0.0000478), wk = 0.0042373 k( 148) = ( 0.0000000 0.8458239 0.0206718), wk = 0.0042373 k( 149) = ( 0.0000000 0.8494685 0.0412958), wk = 0.0042373 k( 150) = ( 0.0000000 0.8531131 0.0619199), wk = 0.0042373 k( 151) = ( 0.0000000 0.8567578 0.0825439), wk = 0.0042373 k( 152) = ( 0.0000000 0.8604024 0.1031679), wk = 0.0042373 k( 153) = ( 0.0000000 0.8640471 0.1237919), wk = 0.0042373 k( 154) = ( 0.0000000 0.8676917 0.1444159), wk = 0.0042373 k( 155) = ( 0.5000000 0.7656416 0.4330564), wk = 0.0042373 k( 156) = ( 0.5000000 0.7443738 0.4330564), wk = 0.0042373 k( 157) = ( 0.5000000 0.7231060 0.4330564), wk = 0.0042373 k( 158) = ( 0.5000000 0.7018381 0.4330564), wk = 0.0042373 k( 159) = ( 0.5000000 0.6805703 0.4330564), wk = 0.0042373 k( 160) = ( 0.5000000 0.6593025 0.4330564), wk = 0.0042373 k( 161) = ( 0.5000000 0.6380347 0.4330564), wk = 0.0042373 k( 162) = ( 0.5000000 0.6167668 0.4330564), wk = 0.0042373 k( 163) = ( 0.5000000 0.5954990 0.4330564), wk = 0.0042373 k( 164) = ( 0.5000000 0.5742312 0.4330564), wk = 0.0042373 k( 165) = ( 0.5000000 0.5529634 0.4330564), wk = 0.0042373 k( 166) = ( 0.5000000 0.5316956 0.4330564), wk = 0.0042373 k( 167) = ( 0.5000000 0.5104277 0.4330564), wk = 0.0042373 k( 168) = ( 0.5000000 0.4891599 0.4330564), wk = 0.0042373 k( 169) = ( 0.5000000 0.4678921 0.4330564), wk = 0.0042373 k( 170) = ( 0.5000000 0.4466243 0.4330564), wk = 0.0042373 k( 171) = ( 0.5000000 0.4253564 0.4330564), wk = 0.0042373 k( 172) = ( 0.5000000 0.4040886 0.4330564), wk = 0.0042373 k( 173) = ( 0.5000000 0.3828208 0.4330564), wk = 0.0042373 k( 174) = ( 0.5000000 0.3615530 0.4330564), wk = 0.0042373 k( 175) = ( 0.5000000 0.3402852 0.4330564), wk = 0.0042373 k( 176) = ( 0.5000000 0.3190173 0.4330564), wk = 0.0042373 k( 177) = ( 0.5000000 0.2977495 0.4330564), wk = 0.0042373 k( 178) = ( 0.5000000 0.2764817 0.4330564), wk = 0.0042373 k( 179) = ( 0.5000000 0.2552139 0.4330564), wk = 0.0042373 k( 180) = ( 0.5000000 0.2339460 0.4330564), wk = 0.0042373 k( 181) = ( 0.5000000 0.2126782 0.4330564), wk = 0.0042373 k( 182) = ( 0.5000000 0.1914104 0.4330564), wk = 0.0042373 k( 183) = ( 0.5000000 0.1701426 0.4330564), wk = 0.0042373 k( 184) = ( 0.5000000 0.1488748 0.4330564), wk = 0.0042373 k( 185) = ( 0.5000000 0.1276069 0.4330564), wk = 0.0042373 k( 186) = ( 0.5000000 0.1063391 0.4330564), wk = 0.0042373 k( 187) = ( 0.5000000 0.0850713 0.4330564), wk = 0.0042373 k( 188) = ( 0.5000000 0.0638035 0.4330564), wk = 0.0042373 k( 189) = ( 0.5000000 0.0425356 0.4330564), wk = 0.0042373 k( 190) = ( 0.5000000 0.0212678 0.4330564), wk = 0.0042373 k( 191) = ( 0.5000000 -0.0000000 0.4330564), wk = 0.0042373 k( 192) = ( 0.5000000 -0.0000000 0.4330564), wk = 0.0042373 k( 193) = ( 0.5000000 -0.0000000 0.4114036), wk = 0.0042373 k( 194) = ( 0.5000000 -0.0000000 0.3897508), wk = 0.0042373 k( 195) = ( 0.5000000 -0.0000000 0.3680980), wk = 0.0042373 k( 196) = ( 0.5000000 -0.0000000 0.3464451), wk = 0.0042373 k( 197) = ( 0.5000000 -0.0000000 0.3247923), wk = 0.0042373 k( 198) = ( 0.5000000 -0.0000000 0.3031395), wk = 0.0042373 k( 199) = ( 0.5000000 -0.0000000 0.2814867), wk = 0.0042373 k( 200) = ( 0.5000000 -0.0000000 0.2598339), wk = 0.0042373 k( 201) = ( 0.5000000 -0.0000000 0.2381810), wk = 0.0042373 k( 202) = ( 0.5000000 -0.0000000 0.2165282), wk = 0.0042373 k( 203) = ( 0.5000000 -0.0000000 0.1948754), wk = 0.0042373 k( 204) = ( 0.5000000 -0.0000000 0.1732226), wk = 0.0042373 k( 205) = ( 0.5000000 -0.0000000 0.1515697), wk = 0.0042373 k( 206) = ( 0.5000000 -0.0000000 0.1299169), wk = 0.0042373 k( 207) = ( 0.5000000 -0.0000000 0.1082641), wk = 0.0042373 k( 208) = ( 0.5000000 -0.0000000 0.0866113), wk = 0.0042373 k( 209) = ( 0.5000000 -0.0000000 0.0649585), wk = 0.0042373 k( 210) = ( 0.5000000 -0.0000000 0.0433056), wk = 0.0042373 k( 211) = ( 0.5000000 -0.0000000 0.0216528), wk = 0.0042373 k( 212) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0042373 k( 213) = ( 0.0000000 0.0000000 0.4330564), wk = 0.0042373 k( 214) = ( 0.0217391 -0.0000000 0.4330564), wk = 0.0042373 k( 215) = ( 0.0434783 -0.0000000 0.4330564), wk = 0.0042373 k( 216) = ( 0.0652174 -0.0000000 0.4330564), wk = 0.0042373 k( 217) = ( 0.0869565 -0.0000000 0.4330564), wk = 0.0042373 k( 218) = ( 0.1086957 -0.0000000 0.4330564), wk = 0.0042373 k( 219) = ( 0.1304348 -0.0000000 0.4330564), wk = 0.0042373 k( 220) = ( 0.1521739 -0.0000000 0.4330564), wk = 0.0042373 k( 221) = ( 0.1739130 -0.0000000 0.4330564), wk = 0.0042373 k( 222) = ( 0.1956522 -0.0000000 0.4330564), wk = 0.0042373 k( 223) = ( 0.2173913 -0.0000000 0.4330564), wk = 0.0042373 k( 224) = ( 0.2391304 -0.0000000 0.4330564), wk = 0.0042373 k( 225) = ( 0.2608696 -0.0000000 0.4330564), wk = 0.0042373 k( 226) = ( 0.2826087 -0.0000000 0.4330564), wk = 0.0042373 k( 227) = ( 0.3043478 -0.0000000 0.4330564), wk = 0.0042373 k( 228) = ( 0.3260870 -0.0000000 0.4330564), wk = 0.0042373 k( 229) = ( 0.3478261 -0.0000000 0.4330564), wk = 0.0042373 k( 230) = ( 0.3695652 -0.0000000 0.4330564), wk = 0.0042373 k( 231) = ( 0.3913044 -0.0000000 0.4330564), wk = 0.0042373 k( 232) = ( 0.4130435 -0.0000000 0.4330564), wk = 0.0042373 k( 233) = ( 0.4347826 -0.0000000 0.4330564), wk = 0.0042373 k( 234) = ( 0.4565217 -0.0000000 0.4330564), wk = 0.0042373 k( 235) = ( 0.4782609 -0.0000000 0.4330564), wk = 0.0042373 k( 236) = ( 0.5000000 -0.0000000 0.4330564), wk = 0.0042373 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 2) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0042373 k( 3) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0042373 k( 4) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0042373 k( 5) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0042373 k( 6) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0042373 k( 7) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0042373 k( 8) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0042373 k( 9) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0042373 k( 10) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0042373 k( 11) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0042373 k( 12) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0042373 k( 13) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0042373 k( 14) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0042373 k( 15) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0042373 k( 16) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0042373 k( 17) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0042373 k( 18) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0042373 k( 19) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0042373 k( 20) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0042373 k( 21) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 22) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 23) = ( 0.0000000 0.0130211 0.5043394), wk = 0.0042373 k( 24) = ( 0.0000000 0.0260422 0.5086788), wk = 0.0042373 k( 25) = ( 0.0000000 0.0390634 0.5130182), wk = 0.0042373 k( 26) = ( 0.0000000 0.0520845 0.5173577), wk = 0.0042373 k( 27) = ( 0.0000000 0.0651056 0.5216971), wk = 0.0042373 k( 28) = ( 0.0000000 0.0781267 0.5260365), wk = 0.0042373 k( 29) = ( 0.0000000 0.0911478 0.5303759), wk = 0.0042373 k( 30) = ( 0.0000000 0.1041689 0.5347153), wk = 0.0042373 k( 31) = ( 0.0000000 0.1171900 0.5390547), wk = 0.0042373 k( 32) = ( 0.0000000 0.1302111 0.5433941), wk = 0.0042373 k( 33) = ( 0.0000000 0.1432323 0.5477336), wk = 0.0042373 k( 34) = ( 0.0000000 0.1562534 0.5520730), wk = 0.0042373 k( 35) = ( 0.0000000 0.1692745 0.5564124), wk = 0.0042373 k( 36) = ( 0.0000000 0.1822956 0.5607518), wk = 0.0042373 k( 37) = ( 0.0000000 0.1953167 0.5650912), wk = 0.0042373 k( 38) = ( 0.0000000 0.2083379 0.5694306), wk = 0.0042373 k( 39) = ( 0.0000000 0.2213590 0.5737700), wk = 0.0042373 k( 40) = ( 0.0000000 0.2343801 0.5781094), wk = 0.0042373 k( 41) = ( 0.0000000 0.2474012 0.5824489), wk = 0.0042373 k( 42) = ( 0.0000000 0.2604223 0.5867883), wk = 0.0042373 k( 43) = ( 0.0000000 0.2734434 0.5911277), wk = 0.0042373 k( 44) = ( 0.0000000 0.2864645 0.5954671), wk = 0.0042373 k( 45) = ( 0.0000000 0.2994857 0.5998065), wk = 0.0042373 k( 46) = ( 0.0000000 0.3125068 0.6041459), wk = 0.0042373 k( 47) = ( 0.0000000 0.3255279 0.6084853), wk = 0.0042373 k( 48) = ( 0.0000000 0.3385490 0.6128247), wk = 0.0042373 k( 49) = ( 0.0000000 0.3515701 0.6171642), wk = 0.0042373 k( 50) = ( 0.0000000 0.3645912 0.6215036), wk = 0.0042373 k( 51) = ( 0.0000000 0.3776124 0.6258430), wk = 0.0042373 k( 52) = ( 0.0000000 0.3906335 0.6301824), wk = 0.0042373 k( 53) = ( 0.0000000 0.4036546 0.6345218), wk = 0.0042373 k( 54) = ( 0.0000000 0.4166757 0.6388612), wk = 0.0042373 k( 55) = ( 0.0000000 0.4296968 0.6432006), wk = 0.0042373 k( 56) = ( 0.0000000 0.4427179 0.6475400), wk = 0.0042373 k( 57) = ( 0.0000000 0.4557390 0.6518795), wk = 0.0042373 k( 58) = ( 0.0000000 0.4687602 0.6562189), wk = 0.0042373 k( 59) = ( 0.0000000 0.4687602 0.6562189), wk = 0.0042373 k( 60) = ( 0.0000000 0.4726651 0.6366915), wk = 0.0042373 k( 61) = ( 0.0000000 0.4765701 0.6171642), wk = 0.0042373 k( 62) = ( 0.0000000 0.4804751 0.5976368), wk = 0.0042373 k( 63) = ( 0.0000000 0.4843801 0.5781094), wk = 0.0042373 k( 64) = ( 0.0000000 0.4882851 0.5585821), wk = 0.0042373 k( 65) = ( 0.0000000 0.4921900 0.5390547), wk = 0.0042373 k( 66) = ( 0.0000000 0.4960950 0.5195274), wk = 0.0042373 k( 67) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0042373 k( 68) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0042373 k( 69) = ( 0.0217391 0.5000000 0.5000000), wk = 0.0042373 k( 70) = ( 0.0434783 0.5000000 0.5000000), wk = 0.0042373 k( 71) = ( 0.0652174 0.5000000 0.5000000), wk = 0.0042373 k( 72) = ( 0.0869565 0.5000000 0.5000000), wk = 0.0042373 k( 73) = ( 0.1086957 0.5000000 0.5000000), wk = 0.0042373 k( 74) = ( 0.1304348 0.5000000 0.5000000), wk = 0.0042373 k( 75) = ( 0.1521739 0.5000000 0.5000000), wk = 0.0042373 k( 76) = ( 0.1739130 0.5000000 0.5000000), wk = 0.0042373 k( 77) = ( 0.1956522 0.5000000 0.5000000), wk = 0.0042373 k( 78) = ( 0.2173913 0.5000000 0.5000000), wk = 0.0042373 k( 79) = ( 0.2391304 0.5000000 0.5000000), wk = 0.0042373 k( 80) = ( 0.2608696 0.5000000 0.5000000), wk = 0.0042373 k( 81) = ( 0.2826087 0.5000000 0.5000000), wk = 0.0042373 k( 82) = ( 0.3043478 0.5000000 0.5000000), wk = 0.0042373 k( 83) = ( 0.3260870 0.5000000 0.5000000), wk = 0.0042373 k( 84) = ( 0.3478261 0.5000000 0.5000000), wk = 0.0042373 k( 85) = ( 0.3695652 0.5000000 0.5000000), wk = 0.0042373 k( 86) = ( 0.3913044 0.5000000 0.5000000), wk = 0.0042373 k( 87) = ( 0.4130435 0.5000000 0.5000000), wk = 0.0042373 k( 88) = ( 0.4347826 0.5000000 0.5000000), wk = 0.0042373 k( 89) = ( 0.4565217 0.5000000 0.5000000), wk = 0.0042373 k( 90) = ( 0.4782609 0.5000000 0.5000000), wk = 0.0042373 k( 91) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042373 k( 92) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042373 k( 93) = ( 0.5000000 0.5039050 0.4804726), wk = 0.0042373 k( 94) = ( 0.5000000 0.5078100 0.4609453), wk = 0.0042373 k( 95) = ( 0.5000000 0.5117149 0.4414179), wk = 0.0042373 k( 96) = ( 0.5000000 0.5156199 0.4218906), wk = 0.0042373 k( 97) = ( 0.5000000 0.5195249 0.4023632), wk = 0.0042373 k( 98) = ( 0.5000000 0.5234299 0.3828358), wk = 0.0042373 k( 99) = ( 0.5000000 0.5273349 0.3633085), wk = 0.0042373 k( 100) = ( 0.5000000 0.5312398 0.3437811), wk = 0.0042373 k( 101) = ( 0.5000000 0.5312398 0.3437811), wk = 0.0042373 k( 102) = ( 0.5000000 0.5290084 0.3192253), wk = 0.0042373 k( 103) = ( 0.5000000 0.5267770 0.2946695), wk = 0.0042373 k( 104) = ( 0.5000000 0.5245456 0.2701137), wk = 0.0042373 k( 105) = ( 0.5000000 0.5223142 0.2455579), wk = 0.0042373 k( 106) = ( 0.5000000 0.5200828 0.2210021), wk = 0.0042373 k( 107) = ( 0.5000000 0.5178513 0.1964464), wk = 0.0042373 k( 108) = ( 0.5000000 0.5156199 0.1718906), wk = 0.0042373 k( 109) = ( 0.5000000 0.5133885 0.1473348), wk = 0.0042373 k( 110) = ( 0.5000000 0.5111571 0.1227790), wk = 0.0042373 k( 111) = ( 0.5000000 0.5089257 0.0982232), wk = 0.0042373 k( 112) = ( 0.5000000 0.5066943 0.0736674), wk = 0.0042373 k( 113) = ( 0.5000000 0.5044628 0.0491116), wk = 0.0042373 k( 114) = ( 0.5000000 0.5022314 0.0245558), wk = 0.0042373 k( 115) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042373 k( 116) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042373 k( 117) = ( 0.4782609 0.5000000 0.0000000), wk = 0.0042373 k( 118) = ( 0.4565217 0.5000000 0.0000000), wk = 0.0042373 k( 119) = ( 0.4347826 0.5000000 0.0000000), wk = 0.0042373 k( 120) = ( 0.4130435 0.5000000 0.0000000), wk = 0.0042373 k( 121) = ( 0.3913044 0.5000000 0.0000000), wk = 0.0042373 k( 122) = ( 0.3695652 0.5000000 0.0000000), wk = 0.0042373 k( 123) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0042373 k( 124) = ( 0.3260870 0.5000000 -0.0000000), wk = 0.0042373 k( 125) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0042373 k( 126) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0042373 k( 127) = ( 0.2608696 0.5000000 -0.0000000), wk = 0.0042373 k( 128) = ( 0.2391304 0.5000000 -0.0000000), wk = 0.0042373 k( 129) = ( 0.2173913 0.5000000 -0.0000000), wk = 0.0042373 k( 130) = ( 0.1956522 0.5000000 -0.0000000), wk = 0.0042373 k( 131) = ( 0.1739130 0.5000000 -0.0000000), wk = 0.0042373 k( 132) = ( 0.1521739 0.5000000 0.0000000), wk = 0.0042373 k( 133) = ( 0.1304348 0.5000000 0.0000000), wk = 0.0042373 k( 134) = ( 0.1086957 0.5000000 -0.0000000), wk = 0.0042373 k( 135) = ( 0.0869565 0.5000000 -0.0000000), wk = 0.0042373 k( 136) = ( 0.0652174 0.5000000 -0.0000000), wk = 0.0042373 k( 137) = ( 0.0434783 0.5000000 -0.0000000), wk = 0.0042373 k( 138) = ( 0.0217391 0.5000000 -0.0000000), wk = 0.0042373 k( 139) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042373 k( 140) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042373 k( 141) = ( 0.0000000 0.5022314 0.0245558), wk = 0.0042373 k( 142) = ( 0.0000000 0.5044628 0.0491116), wk = 0.0042373 k( 143) = ( 0.0000000 0.5066943 0.0736674), wk = 0.0042373 k( 144) = ( 0.0000000 0.5089257 0.0982232), wk = 0.0042373 k( 145) = ( 0.0000000 0.5111571 0.1227790), wk = 0.0042373 k( 146) = ( 0.0000000 0.5133885 0.1473348), wk = 0.0042373 k( 147) = ( 0.0000000 0.5156199 0.1718906), wk = 0.0042373 k( 148) = ( 0.0000000 0.5178513 0.1964464), wk = 0.0042373 k( 149) = ( 0.0000000 0.5200828 0.2210022), wk = 0.0042373 k( 150) = ( 0.0000000 0.5223142 0.2455580), wk = 0.0042373 k( 151) = ( 0.0000000 0.5245456 0.2701137), wk = 0.0042373 k( 152) = ( 0.0000000 0.5267770 0.2946695), wk = 0.0042373 k( 153) = ( 0.0000000 0.5290084 0.3192253), wk = 0.0042373 k( 154) = ( 0.0000000 0.5312398 0.3437811), wk = 0.0042373 k( 155) = ( 0.5000000 0.4687602 0.6562189), wk = 0.0042373 k( 156) = ( 0.5000000 0.4557390 0.6518795), wk = 0.0042373 k( 157) = ( 0.5000000 0.4427179 0.6475401), wk = 0.0042373 k( 158) = ( 0.5000000 0.4296968 0.6432006), wk = 0.0042373 k( 159) = ( 0.5000000 0.4166757 0.6388612), wk = 0.0042373 k( 160) = ( 0.5000000 0.4036546 0.6345218), wk = 0.0042373 k( 161) = ( 0.5000000 0.3906335 0.6301824), wk = 0.0042373 k( 162) = ( 0.5000000 0.3776124 0.6258430), wk = 0.0042373 k( 163) = ( 0.5000000 0.3645912 0.6215036), wk = 0.0042373 k( 164) = ( 0.5000000 0.3515701 0.6171642), wk = 0.0042373 k( 165) = ( 0.5000000 0.3385490 0.6128247), wk = 0.0042373 k( 166) = ( 0.5000000 0.3255279 0.6084853), wk = 0.0042373 k( 167) = ( 0.5000000 0.3125068 0.6041459), wk = 0.0042373 k( 168) = ( 0.5000000 0.2994857 0.5998065), wk = 0.0042373 k( 169) = ( 0.5000000 0.2864645 0.5954671), wk = 0.0042373 k( 170) = ( 0.5000000 0.2734434 0.5911277), wk = 0.0042373 k( 171) = ( 0.5000000 0.2604223 0.5867883), wk = 0.0042373 k( 172) = ( 0.5000000 0.2474012 0.5824489), wk = 0.0042373 k( 173) = ( 0.5000000 0.2343801 0.5781094), wk = 0.0042373 k( 174) = ( 0.5000000 0.2213590 0.5737700), wk = 0.0042373 k( 175) = ( 0.5000000 0.2083378 0.5694306), wk = 0.0042373 k( 176) = ( 0.5000000 0.1953167 0.5650912), wk = 0.0042373 k( 177) = ( 0.5000000 0.1822956 0.5607518), wk = 0.0042373 k( 178) = ( 0.5000000 0.1692745 0.5564124), wk = 0.0042373 k( 179) = ( 0.5000000 0.1562534 0.5520730), wk = 0.0042373 k( 180) = ( 0.5000000 0.1432323 0.5477336), wk = 0.0042373 k( 181) = ( 0.5000000 0.1302111 0.5433941), wk = 0.0042373 k( 182) = ( 0.5000000 0.1171900 0.5390547), wk = 0.0042373 k( 183) = ( 0.5000000 0.1041689 0.5347153), wk = 0.0042373 k( 184) = ( 0.5000000 0.0911478 0.5303759), wk = 0.0042373 k( 185) = ( 0.5000000 0.0781267 0.5260365), wk = 0.0042373 k( 186) = ( 0.5000000 0.0651056 0.5216971), wk = 0.0042373 k( 187) = ( 0.5000000 0.0520845 0.5173577), wk = 0.0042373 k( 188) = ( 0.5000000 0.0390633 0.5130182), wk = 0.0042373 k( 189) = ( 0.5000000 0.0260422 0.5086788), wk = 0.0042373 k( 190) = ( 0.5000000 0.0130211 0.5043394), wk = 0.0042373 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 k( 192) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 k( 193) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0042373 k( 194) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0042373 k( 195) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0042373 k( 196) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0042373 k( 197) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0042373 k( 198) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0042373 k( 199) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0042373 k( 200) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0042373 k( 201) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0042373 k( 202) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0042373 k( 203) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0042373 k( 204) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0042373 k( 205) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0042373 k( 206) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0042373 k( 207) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0042373 k( 208) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0042373 k( 209) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0042373 k( 210) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0042373 k( 211) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0042373 k( 212) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042373 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 214) = ( 0.0217391 -0.0000000 0.5000000), wk = 0.0042373 k( 215) = ( 0.0434783 -0.0000000 0.5000000), wk = 0.0042373 k( 216) = ( 0.0652174 0.0000000 0.5000000), wk = 0.0042373 k( 217) = ( 0.0869565 -0.0000000 0.5000000), wk = 0.0042373 k( 218) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0042373 k( 219) = ( 0.1304348 0.0000000 0.5000000), wk = 0.0042373 k( 220) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0042373 k( 221) = ( 0.1739130 -0.0000000 0.5000000), wk = 0.0042373 k( 222) = ( 0.1956522 -0.0000000 0.5000000), wk = 0.0042373 k( 223) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0042373 k( 224) = ( 0.2391304 -0.0000000 0.5000000), wk = 0.0042373 k( 225) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0042373 k( 226) = ( 0.2826087 0.0000000 0.5000000), wk = 0.0042373 k( 227) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0042373 k( 228) = ( 0.3260870 -0.0000000 0.5000000), wk = 0.0042373 k( 229) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0042373 k( 230) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0042373 k( 231) = ( 0.3913044 -0.0000000 0.5000000), wk = 0.0042373 k( 232) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0042373 k( 233) = ( 0.4347826 -0.0000000 0.5000000), wk = 0.0042373 k( 234) = ( 0.4565217 -0.0000000 0.5000000), wk = 0.0042373 k( 235) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0042373 k( 236) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 Dense grid: 63769 G-vectors FFT dimensions: ( 60, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 344, 68) NL pseudopotentials 0.54 Mb ( 172, 204) Each V/rho on FFT grid 0.07 Mb ( 4320) Each G-vector array 0.01 Mb ( 1327) G-vector shells 0.01 Mb ( 1243) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.43 Mb ( 344, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.42 Mb ( 204, 2, 68) The potential is recalculated from file : ./Ag2S.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.2 secs Computing kpt #: 2 total cpu time spent up to now is 48.2 secs Computing kpt #: 3 total cpu time spent up to now is 52.2 secs Computing kpt #: 4 total cpu time spent up to now is 56.1 secs Computing kpt #: 5 total cpu time spent up to now is 59.9 secs Computing kpt #: 6 total cpu time spent up to now is 63.6 secs Computing kpt #: 7 total cpu time spent up to now is 67.2 secs Computing kpt #: 8 total cpu time spent up to now is 70.8 secs Computing kpt #: 9 total cpu time spent up to now is 74.7 secs Computing kpt #: 10 total cpu time spent up to now is 78.2 secs Computing kpt #: 11 total cpu time spent up to now is 82.2 secs Computing kpt #: 12 total cpu time spent up to now is 86.5 secs Computing kpt #: 13 total cpu time spent up to now is 89.7 secs Computing kpt #: 14 total cpu time spent up to now is 92.8 secs Computing kpt #: 15 total cpu time spent up to now is 96.3 secs Computing kpt #: 16 total cpu time spent up to now is 99.9 secs Computing kpt #: 17 total cpu time spent up to now is 103.3 secs Computing kpt #: 18 total cpu time spent up to now is 106.6 secs Computing kpt #: 19 total cpu time spent up to now is 110.0 secs Computing kpt #: 20 total cpu time spent up to now is 113.2 secs Computing kpt #: 21 total cpu time spent up to now is 116.7 secs Computing kpt #: 22 total cpu time spent up to now is 120.3 secs Computing kpt #: 23 total cpu time spent up to now is 124.4 secs Computing kpt #: 24 total cpu time spent up to now is 127.7 secs Computing kpt #: 25 total cpu time spent up to now is 131.4 secs Computing kpt #: 26 total cpu time spent up to now is 134.8 secs Computing kpt #: 27 total cpu time spent up to now is 138.0 secs Computing kpt #: 28 total cpu time spent up to now is 141.5 secs Computing kpt #: 29 total cpu time spent up to now is 144.7 secs Computing kpt #: 30 total cpu time spent up to now is 148.0 secs Computing kpt #: 31 total cpu time spent up to now is 151.7 secs Computing kpt #: 32 total cpu time spent up to now is 154.9 secs Computing kpt #: 33 total cpu time spent up to now is 158.4 secs Computing kpt #: 34 total cpu time spent up to now is 161.7 secs Computing kpt #: 35 total cpu time spent up to now is 165.6 secs Computing kpt #: 36 total cpu time spent up to now is 169.3 secs Computing kpt #: 37 total cpu time spent up to now is 172.9 secs Computing kpt #: 38 total cpu time spent up to now is 176.6 secs Computing kpt #: 39 total cpu time spent up to now is 180.5 secs Computing kpt #: 40 total cpu time spent up to now is 184.5 secs Computing kpt #: 41 total cpu time spent up to now is 188.4 secs Computing kpt #: 42 total cpu time spent up to now is 192.3 secs Computing kpt #: 43 total cpu time spent up to now is 196.6 secs Computing kpt #: 44 total cpu time spent up to now is 200.7 secs Computing kpt #: 45 total cpu time spent up to now is 204.4 secs Computing kpt #: 46 total cpu time spent up to now is 208.1 secs Computing kpt #: 47 total cpu time spent up to now is 212.0 secs Computing kpt #: 48 total cpu time spent up to now is 215.3 secs Computing kpt #: 49 total cpu time spent up to now is 218.9 secs Computing kpt #: 50 total cpu time spent up to now is 222.3 secs Computing kpt #: 51 total cpu time spent up to now is 226.4 secs Computing kpt #: 52 total cpu time spent up to now is 230.1 secs Computing kpt #: 53 total cpu time spent up to now is 233.9 secs Computing kpt #: 54 total cpu time spent up to now is 237.6 secs Computing kpt #: 55 total cpu time spent up to now is 242.6 secs Computing kpt #: 56 total cpu time spent up to now is 246.8 secs Computing kpt #: 57 total cpu time spent up to now is 251.0 secs Computing kpt #: 58 total cpu time spent up to now is 254.9 secs Computing kpt #: 59 total cpu time spent up to now is 259.3 secs Computing kpt #: 60 total cpu time spent up to now is 263.0 secs Computing kpt #: 61 total cpu time spent up to now is 266.8 secs Computing kpt #: 62 total cpu time spent up to now is 271.0 secs Computing kpt #: 63 total cpu time spent up to now is 275.0 secs Computing kpt #: 64 total cpu time spent up to now is 279.7 secs Computing kpt #: 65 total cpu time spent up to now is 284.6 secs Computing kpt #: 66 total cpu time spent up to now is 289.0 secs Computing kpt #: 67 total cpu time spent up to now is 292.8 secs Computing kpt #: 68 total cpu time spent up to now is 297.2 secs Computing kpt #: 69 total cpu time spent up to now is 301.3 secs Computing kpt #: 70 total cpu time spent up to now is 305.3 secs Computing kpt #: 71 total cpu time spent up to now is 310.0 secs Computing kpt #: 72 total cpu time spent up to now is 314.2 secs Computing kpt #: 73 total cpu time spent up to now is 318.2 secs Computing kpt #: 74 total cpu time spent up to now is 322.9 secs Computing kpt #: 75 total cpu time spent up to now is 327.3 secs Computing kpt #: 76 total cpu time spent up to now is 331.8 secs Computing kpt #: 77 total cpu time spent up to now is 336.0 secs Computing kpt #: 78 total cpu time spent up to now is 340.4 secs Computing kpt #: 79 total cpu time spent up to now is 344.2 secs Computing kpt #: 80 total cpu time spent up to now is 348.2 secs Computing kpt #: 81 total cpu time spent up to now is 352.3 secs Computing kpt #: 82 total cpu time spent up to now is 356.0 secs Computing kpt #: 83 total cpu time spent up to now is 360.2 secs Computing kpt #: 84 total cpu time spent up to now is 363.9 secs Computing kpt #: 85 total cpu time spent up to now is 367.2 secs Computing kpt #: 86 total cpu time spent up to now is 371.1 secs Computing kpt #: 87 total cpu time spent up to now is 374.5 secs Computing kpt #: 88 total cpu time spent up to now is 378.6 secs Computing kpt #: 89 total cpu time spent up to now is 382.0 secs Computing kpt #: 90 total cpu time spent up to now is 385.4 secs Computing kpt #: 91 total cpu time spent up to now is 389.9 secs Computing kpt #: 92 total cpu time spent up to now is 393.7 secs Computing kpt #: 93 total cpu time spent up to now is 397.0 secs Computing kpt #: 94 total cpu time spent up to now is 400.4 secs Computing kpt #: 95 total cpu time spent up to now is 404.8 secs Computing kpt #: 96 total cpu time spent up to now is 408.4 secs Computing kpt #: 97 total cpu time spent up to now is 411.6 secs Computing kpt #: 98 total cpu time spent up to now is 414.9 secs Computing kpt #: 99 total cpu time spent up to now is 418.6 secs Computing kpt #: 100 total cpu time spent up to now is 421.9 secs Computing kpt #: 101 total cpu time spent up to now is 425.6 secs Computing kpt #: 102 total cpu time spent up to now is 429.1 secs Computing kpt #: 103 total cpu time spent up to now is 432.7 secs Computing kpt #: 104 total cpu time spent up to now is 436.4 secs Computing kpt #: 105 total cpu time spent up to now is 439.5 secs Computing kpt #: 106 total cpu time spent up to now is 443.2 secs Computing kpt #: 107 total cpu time spent up to now is 446.4 secs Computing kpt #: 108 total cpu time spent up to now is 449.5 secs Computing kpt #: 109 total cpu time spent up to now is 453.5 secs Computing kpt #: 110 total cpu time spent up to now is 457.8 secs Computing kpt #: 111 total cpu time spent up to now is 461.0 secs Computing kpt #: 112 total cpu time spent up to now is 464.0 secs Computing kpt #: 113 total cpu time spent up to now is 467.4 secs Computing kpt #: 114 total cpu time spent up to now is 470.5 secs Computing kpt #: 115 total cpu time spent up to now is 474.0 secs Computing kpt #: 116 total cpu time spent up to now is 477.4 secs Computing kpt #: 117 total cpu time spent up to now is 480.5 secs Computing kpt #: 118 total cpu time spent up to now is 484.3 secs Computing kpt #: 119 total cpu time spent up to now is 487.5 secs Computing kpt #: 120 total cpu time spent up to now is 491.0 secs Computing kpt #: 121 total cpu time spent up to now is 494.9 secs Computing kpt #: 122 total cpu time spent up to now is 499.2 secs Computing kpt #: 123 total cpu time spent up to now is 502.5 secs Computing kpt #: 124 total cpu time spent up to now is 506.0 secs Computing kpt #: 125 total cpu time spent up to now is 509.2 secs Computing kpt #: 126 total cpu time spent up to now is 512.6 secs Computing kpt #: 127 total cpu time spent up to now is 516.1 secs Computing kpt #: 128 total cpu time spent up to now is 519.4 secs Computing kpt #: 129 total cpu time spent up to now is 522.7 secs Computing kpt #: 130 total cpu time spent up to now is 526.3 secs Computing kpt #: 131 total cpu time spent up to now is 529.7 secs Computing kpt #: 132 total cpu time spent up to now is 533.2 secs Computing kpt #: 133 total cpu time spent up to now is 537.3 secs Computing kpt #: 134 total cpu time spent up to now is 540.7 secs Computing kpt #: 135 total cpu time spent up to now is 544.1 secs Computing kpt #: 136 total cpu time spent up to now is 547.6 secs Computing kpt #: 137 total cpu time spent up to now is 551.3 secs Computing kpt #: 138 total cpu time spent up to now is 554.6 secs Computing kpt #: 139 total cpu time spent up to now is 558.1 secs Computing kpt #: 140 total cpu time spent up to now is 561.6 secs Computing kpt #: 141 total cpu time spent up to now is 564.9 secs Computing kpt #: 142 total cpu time spent up to now is 568.9 secs Computing kpt #: 143 total cpu time spent up to now is 572.4 secs Computing kpt #: 144 total cpu time spent up to now is 575.8 secs Computing kpt #: 145 total cpu time spent up to now is 579.5 secs Computing kpt #: 146 total cpu time spent up to now is 583.3 secs Computing kpt #: 147 total cpu time spent up to now is 587.1 secs Computing kpt #: 148 total cpu time spent up to now is 590.9 secs Computing kpt #: 149 total cpu time spent up to now is 594.6 secs Computing kpt #: 150 total cpu time spent up to now is 599.3 secs Computing kpt #: 151 total cpu time spent up to now is 603.1 secs Computing kpt #: 152 total cpu time spent up to now is 606.9 secs Computing kpt #: 153 total cpu time spent up to now is 610.7 secs Computing kpt #: 154 total cpu time spent up to now is 614.5 secs Computing kpt #: 155 total cpu time spent up to now is 618.5 secs Computing kpt #: 156 total cpu time spent up to now is 621.7 secs Computing kpt #: 157 total cpu time spent up to now is 625.3 secs Computing kpt #: 158 total cpu time spent up to now is 629.6 secs Computing kpt #: 159 total cpu time spent up to now is 632.9 secs Computing kpt #: 160 total cpu time spent up to now is 636.0 secs Computing kpt #: 161 total cpu time spent up to now is 639.2 secs Computing kpt #: 162 total cpu time spent up to now is 642.6 secs Computing kpt #: 163 total cpu time spent up to now is 645.9 secs Computing kpt #: 164 total cpu time spent up to now is 649.6 secs Computing kpt #: 165 total cpu time spent up to now is 653.0 secs Computing kpt #: 166 total cpu time spent up to now is 656.6 secs Computing kpt #: 167 total cpu time spent up to now is 659.9 secs Computing kpt #: 168 total cpu time spent up to now is 663.5 secs Computing kpt #: 169 total cpu time spent up to now is 667.5 secs Computing kpt #: 170 total cpu time spent up to now is 671.1 secs Computing kpt #: 171 total cpu time spent up to now is 674.7 secs Computing kpt #: 172 total cpu time spent up to now is 678.6 secs Computing kpt #: 173 total cpu time spent up to now is 682.4 secs Computing kpt #: 174 total cpu time spent up to now is 686.7 secs Computing kpt #: 175 total cpu time spent up to now is 690.7 secs Computing kpt #: 176 total cpu time spent up to now is 695.0 secs Computing kpt #: 177 total cpu time spent up to now is 699.3 secs Computing kpt #: 178 total cpu time spent up to now is 703.4 secs Computing kpt #: 179 total cpu time spent up to now is 707.3 secs Computing kpt #: 180 total cpu time spent up to now is 711.5 secs Computing kpt #: 181 total cpu time spent up to now is 715.3 secs Computing kpt #: 182 total cpu time spent up to now is 719.7 secs Computing kpt #: 183 total cpu time spent up to now is 724.0 secs Computing kpt #: 184 total cpu time spent up to now is 727.7 secs Computing kpt #: 185 total cpu time spent up to now is 731.4 secs Computing kpt #: 186 total cpu time spent up to now is 735.1 secs Computing kpt #: 187 total cpu time spent up to now is 738.8 secs Computing kpt #: 188 total cpu time spent up to now is 742.7 secs Computing kpt #: 189 total cpu time spent up to now is 746.8 secs Computing kpt #: 190 total cpu time spent up to now is 751.4 secs Computing kpt #: 191 total cpu time spent up to now is 755.3 secs Computing kpt #: 192 total cpu time spent up to now is 758.9 secs Computing kpt #: 193 total cpu time spent up to now is 762.8 secs Computing kpt #: 194 total cpu time spent up to now is 766.7 secs Computing kpt #: 195 total cpu time spent up to now is 770.3 secs Computing kpt #: 196 total cpu time spent up to now is 774.5 secs Computing kpt #: 197 total cpu time spent up to now is 780.3 secs Computing kpt #: 198 total cpu time spent up to now is 785.4 secs Computing kpt #: 199 total cpu time spent up to now is 789.2 secs Computing kpt #: 200 total cpu time spent up to now is 792.8 secs Computing kpt #: 201 total cpu time spent up to now is 796.7 secs Computing kpt #: 202 total cpu time spent up to now is 800.6 secs Computing kpt #: 203 total cpu time spent up to now is 804.0 secs Computing kpt #: 204 total cpu time spent up to now is 807.4 secs Computing kpt #: 205 total cpu time spent up to now is 811.3 secs Computing kpt #: 206 total cpu time spent up to now is 814.6 secs Computing kpt #: 207 total cpu time spent up to now is 817.9 secs Computing kpt #: 208 total cpu time spent up to now is 821.1 secs Computing kpt #: 209 total cpu time spent up to now is 824.8 secs Computing kpt #: 210 total cpu time spent up to now is 828.1 secs Computing kpt #: 211 total cpu time spent up to now is 831.2 secs Computing kpt #: 212 total cpu time spent up to now is 834.4 secs Computing kpt #: 213 total cpu time spent up to now is 837.5 secs Computing kpt #: 214 total cpu time spent up to now is 840.6 secs Computing kpt #: 215 total cpu time spent up to now is 843.8 secs Computing kpt #: 216 total cpu time spent up to now is 847.2 secs Computing kpt #: 217 total cpu time spent up to now is 850.5 secs Computing kpt #: 218 total cpu time spent up to now is 853.6 secs Computing kpt #: 219 total cpu time spent up to now is 857.1 secs Computing kpt #: 220 total cpu time spent up to now is 860.9 secs Computing kpt #: 221 total cpu time spent up to now is 864.5 secs Computing kpt #: 222 total cpu time spent up to now is 868.5 secs Computing kpt #: 223 total cpu time spent up to now is 872.1 secs Computing kpt #: 224 total cpu time spent up to now is 876.7 secs Computing kpt #: 225 total cpu time spent up to now is 880.3 secs Computing kpt #: 226 total cpu time spent up to now is 884.3 secs Computing kpt #: 227 total cpu time spent up to now is 887.9 secs Computing kpt #: 228 total cpu time spent up to now is 892.1 secs Computing kpt #: 229 total cpu time spent up to now is 896.0 secs Computing kpt #: 230 total cpu time spent up to now is 900.0 secs Computing kpt #: 231 total cpu time spent up to now is 903.8 secs Computing kpt #: 232 total cpu time spent up to now is 907.7 secs Computing kpt #: 233 total cpu time spent up to now is 911.5 secs Computing kpt #: 234 total cpu time spent up to now is 915.3 secs Computing kpt #: 235 total cpu time spent up to now is 919.1 secs Computing kpt #: 236 total cpu time spent up to now is 922.7 secs ethr = 1.79E-11, avg # of iterations = 21.9 total cpu time spent up to now is 923.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8087 PWs) bands (ev): -9.2027 -9.2027 -9.0309 -9.0309 -2.1763 -2.1763 -1.9784 -1.9784 -1.6480 -1.6480 -1.5985 -1.5985 -1.5241 -1.5241 -1.4780 -1.4780 -1.4574 -1.4574 -1.3916 -1.3916 -1.3316 -1.3316 -1.1631 -1.1631 -1.0050 -1.0050 -0.9718 -0.9718 -0.9266 -0.9266 -0.9155 -0.9155 -0.8564 -0.8564 -0.8386 -0.8386 -0.7712 -0.7712 -0.7494 -0.7494 -0.6636 -0.6636 -0.6188 -0.6188 -0.0224 -0.0224 0.4337 0.4337 0.5042 0.5042 0.7351 0.7351 1.4257 1.4257 1.8997 1.8997 2.1984 2.1984 2.3650 2.3650 4.7628 4.7628 5.5395 5.5395 6.3979 6.3979 7.2646 7.2646 k = 0.0000 0.0000 0.0217 ( 8108 PWs) bands (ev): -9.2026 -9.2026 -9.0311 -9.0311 -2.1850 -2.1668 -1.9866 -1.9695 -1.6555 -1.6408 -1.5987 -1.5984 -1.5262 -1.5224 -1.4782 -1.4779 -1.4594 -1.4559 -1.3923 -1.3907 -1.3322 -1.3312 -1.1744 -1.1513 -1.0057 -1.0041 -0.9748 -0.9690 -0.9276 -0.9258 -0.9165 -0.9147 -0.8582 -0.8546 -0.8407 -0.8371 -0.7713 -0.7706 -0.7504 -0.7481 -0.6637 -0.6634 -0.6188 -0.6187 -0.0246 -0.0210 0.4293 0.4323 0.4889 0.5094 0.7231 0.7486 1.4304 1.4368 1.8997 1.9000 2.1982 2.1985 2.3679 2.3698 4.7638 4.7659 5.5291 5.5313 6.3860 6.3897 7.2586 7.2730 k = 0.0000 0.0000 0.0433 ( 8118 PWs) bands (ev): -9.2022 -9.2021 -9.0316 -9.0315 -2.1929 -2.1568 -1.9939 -1.9599 -1.6633 -1.6341 -1.5989 -1.5983 -1.5285 -1.5208 -1.4784 -1.4780 -1.4620 -1.4548 -1.3926 -1.3896 -1.3328 -1.3310 -1.1846 -1.1391 -1.0063 -1.0031 -0.9779 -0.9666 -0.9290 -0.9252 -0.9175 -0.9140 -0.8600 -0.8528 -0.8432 -0.8361 -0.7708 -0.7695 -0.7510 -0.7463 -0.6635 -0.6630 -0.6185 -0.6183 -0.0276 -0.0205 0.4194 0.4241 0.4654 0.5045 0.7150 0.7614 1.4507 1.4626 1.9000 1.9007 2.1979 2.1983 2.3787 2.3824 4.7687 4.7730 5.5008 5.5052 6.3546 6.3612 7.2435 7.2816 k = 0.0000 0.0000 0.0650 ( 8124 PWs) bands (ev): -9.2014 -9.2013 -9.0324 -9.0323 -2.1997 -2.1464 -2.0003 -1.9498 -1.6712 -1.6280 -1.5990 -1.5982 -1.5310 -1.5194 -1.4787 -1.4784 -1.4650 -1.4540 -1.3927 -1.3881 -1.3334 -1.3309 -1.1936 -1.1268 -1.0069 -1.0020 -0.9812 -0.9645 -0.9305 -0.9247 -0.9184 -0.9134 -0.8617 -0.8512 -0.8460 -0.8355 -0.7698 -0.7681 -0.7510 -0.7442 -0.6631 -0.6624 -0.6180 -0.6178 -0.0316 -0.0210 0.4016 0.4073 0.4385 0.4923 0.7123 0.7727 1.4849 1.5009 1.9007 1.9017 2.1974 2.1981 2.3973 2.4027 4.7772 4.7838 5.4563 5.4632 6.3048 6.3131 7.2030 7.2685 k = 0.0000 0.0000 0.0866 ( 8122 PWs) bands (ev): -9.2004 -9.2002 -9.0336 -9.0334 -2.2056 -2.1357 -2.0056 -1.9394 -1.6792 -1.6228 -1.5990 -1.5981 -1.5336 -1.5181 -1.4795 -1.4789 -1.4683 -1.4534 -1.3923 -1.3863 -1.3339 -1.3310 -1.2009 -1.1148 -1.0073 -1.0007 -0.9844 -0.9628 -0.9324 -0.9243 -0.9192 -0.9130 -0.8633 -0.8502 -0.8484 -0.8351 -0.7686 -0.7667 -0.7505 -0.7416 -0.6625 -0.6616 -0.6173 -0.6171 -0.0367 -0.0224 0.3718 0.3795 0.4164 0.4767 0.7147 0.7825 1.5306 1.5491 1.9018 1.9031 2.1968 2.1977 2.4235 2.4304 4.7886 4.7979 5.3985 5.4081 6.2384 6.2467 7.1442 7.2186 k = 0.0000 0.0000 0.1083 ( 8121 PWs) bands (ev): -9.1991 -9.1989 -9.0350 -9.0348 -2.2102 -2.1251 -2.0100 -1.9289 -1.6870 -1.6185 -1.5988 -1.5980 -1.5363 -1.5168 -1.4818 -1.4792 -1.4713 -1.4530 -1.3916 -1.3843 -1.3345 -1.3314 -1.2063 -1.1031 -1.0078 -0.9993 -0.9876 -0.9617 -0.9345 -0.9240 -0.9197 -0.9127 -0.8648 -0.8520 -0.8482 -0.8346 -0.7672 -0.7656 -0.7494 -0.7387 -0.6616 -0.6605 -0.6164 -0.6162 -0.0430 -0.0251 0.3317 0.3431 0.3992 0.4597 0.7209 0.7913 1.5853 1.6047 1.9032 1.9048 2.1962 2.1972 2.4572 2.4653 4.8018 4.8143 5.3304 5.3434 6.1574 6.1644 7.0806 7.1533 k = 0.0000 0.0000 0.1299 ( 8115 PWs) bands (ev): -9.1975 -9.1973 -9.0366 -9.0364 -2.2137 -2.1148 -2.0133 -1.9186 -1.6945 -1.6157 -1.5984 -1.5976 -1.5390 -1.5155 -1.4857 -1.4796 -1.4732 -1.4528 -1.3906 -1.3821 -1.3351 -1.3319 -1.2096 -1.0920 -1.0085 -0.9978 -0.9905 -0.9613 -0.9367 -0.9237 -0.9200 -0.9125 -0.8662 -0.8544 -0.8475 -0.8339 -0.7658 -0.7647 -0.7476 -0.7355 -0.6604 -0.6592 -0.6152 -0.6151 -0.0508 -0.0293 0.2865 0.3019 0.3832 0.4420 0.7297 0.7993 1.6464 1.6657 1.9049 1.9069 2.1956 2.1967 2.4981 2.5072 4.8147 4.8313 5.2560 5.2737 6.0644 6.0697 7.0177 7.0852 k = 0.0000 0.0000 0.1516 ( 8112 PWs) bands (ev): -9.1958 -9.1955 -9.0386 -9.0383 -2.2160 -2.1051 -2.0157 -1.9087 -1.7014 -1.6147 -1.5977 -1.5967 -1.5415 -1.5145 -1.4905 -1.4801 -1.4745 -1.4526 -1.3891 -1.3796 -1.3356 -1.3326 -1.2108 -1.0818 -1.0096 -0.9963 -0.9930 -0.9616 -0.9388 -0.9236 -0.9200 -0.9124 -0.8676 -0.8567 -0.8472 -0.8329 -0.7646 -0.7641 -0.7454 -0.7322 -0.6590 -0.6577 -0.6139 -0.6138 -0.0607 -0.0354 0.2398 0.2589 0.3673 0.4234 0.7402 0.8067 1.7118 1.7301 1.9071 1.9095 2.1951 2.1962 2.5459 2.5556 4.8235 4.8456 5.1804 5.2046 5.9615 5.9666 6.9568 7.0178 k = 0.0000 0.0000 0.1732 ( 8118 PWs) bands (ev): -9.1938 -9.1935 -9.0407 -9.0404 -2.2170 -2.0964 -2.0171 -1.8997 -1.7075 -1.6158 -1.5966 -1.5951 -1.5439 -1.5144 -1.4948 -1.4807 -1.4756 -1.4524 -1.3875 -1.3770 -1.3362 -1.3334 -1.2099 -1.0726 -1.0112 -0.9953 -0.9942 -0.9627 -0.9406 -0.9235 -0.9197 -0.9125 -0.8689 -0.8585 -0.8471 -0.8315 -0.7638 -0.7634 -0.7430 -0.7288 -0.6574 -0.6560 -0.6125 -0.6122 -0.0730 -0.0439 0.1938 0.2167 0.3514 0.4040 0.7517 0.8139 1.7796 1.7958 1.9099 1.9132 2.1949 2.1959 2.6000 2.6100 4.8212 4.8500 5.1122 5.1446 5.8511 5.8590 6.8978 6.9521 k = 0.0000 0.0000 0.1949 ( 8121 PWs) bands (ev): -9.1916 -9.1913 -9.0430 -9.0426 -2.2168 -2.0889 -2.0175 -1.8918 -1.7124 -1.6188 -1.5950 -1.5930 -1.5460 -1.5161 -1.4970 -1.4815 -1.4767 -1.4524 -1.3855 -1.3743 -1.3367 -1.3341 -1.2070 -1.0646 -1.0134 -0.9962 -0.9929 -0.9645 -0.9419 -0.9236 -0.9190 -0.9125 -0.8702 -0.8600 -0.8472 -0.8300 -0.7634 -0.7625 -0.7404 -0.7256 -0.6555 -0.6540 -0.6110 -0.6104 -0.0883 -0.0557 0.1507 0.1772 0.3357 0.3841 0.7636 0.8206 1.8462 1.8591 1.9151 1.9208 2.1952 2.1960 2.6599 2.6697 4.7982 4.8310 5.0653 5.1041 5.7373 5.7496 6.8403 6.8879 k = 0.0000 0.0000 0.2165 ( 8117 PWs) bands (ev): -9.1893 -9.1890 -9.0454 -9.0450 -2.2153 -2.0832 -2.0167 -1.8855 -1.7160 -1.6234 -1.5928 -1.5904 -1.5478 -1.5197 -1.4967 -1.4824 -1.4778 -1.4524 -1.3834 -1.3717 -1.3373 -1.3348 -1.2023 -1.0584 -1.0159 -0.9966 -0.9913 -0.9671 -0.9427 -0.9238 -0.9181 -0.9126 -0.8714 -0.8612 -0.8471 -0.8284 -0.7630 -0.7617 -0.7378 -0.7225 -0.6534 -0.6519 -0.6094 -0.6083 -0.1069 -0.0717 0.1125 0.1420 0.3203 0.3641 0.7755 0.8270 1.8937 1.9009 1.9385 1.9504 2.1965 2.1971 2.7246 2.7339 4.7504 4.7804 5.0476 5.0871 5.6242 5.6419 6.7840 6.8254 k = 0.0000 0.0000 0.2382 ( 8127 PWs) bands (ev): -9.1870 -9.1866 -9.0479 -9.0475 -2.2126 -2.0797 -2.0147 -1.8811 -1.7179 -1.6290 -1.5902 -1.5876 -1.5494 -1.5240 -1.4948 -1.4834 -1.4792 -1.4525 -1.3812 -1.3693 -1.3378 -1.3354 -1.1959 -1.0542 -1.0181 -0.9966 -0.9898 -0.9701 -0.9428 -0.9243 -0.9171 -0.9126 -0.8725 -0.8621 -0.8469 -0.8269 -0.7626 -0.7610 -0.7353 -0.7199 -0.6511 -0.6495 -0.6076 -0.6061 -0.1288 -0.0927 0.0807 0.1118 0.3056 0.3445 0.7872 0.8330 1.9064 1.9103 1.9973 2.0072 2.1994 2.2005 2.7932 2.8017 4.6846 4.7087 5.0462 5.0846 5.5170 5.5409 6.7290 6.7646 k = 0.0000 0.0000 0.2598 ( 8120 PWs) bands (ev): -9.1845 -9.1842 -9.0504 -9.0500 -2.2086 -2.0788 -2.0110 -1.8789 -1.7182 -1.6354 -1.5871 -1.5844 -1.5506 -1.5281 -1.4923 -1.4846 -1.4806 -1.4528 -1.3788 -1.3671 -1.3383 -1.3358 -1.1881 -1.0525 -1.0194 -0.9962 -0.9885 -0.9733 -0.9425 -0.9250 -0.9160 -0.9123 -0.8736 -0.8627 -0.8463 -0.8256 -0.7622 -0.7604 -0.7329 -0.7176 -0.6487 -0.6471 -0.6056 -0.6037 -0.1533 -0.1184 0.0559 0.0868 0.2919 0.3256 0.7983 0.8385 1.9110 1.9140 2.0584 2.0644 2.2062 2.2088 2.8643 2.8716 4.6108 4.6294 5.0426 5.0805 5.4250 5.4547 6.6754 6.7057 k = 0.0000 0.0000 0.2815 ( 8112 PWs) bands (ev): -9.1822 -9.1819 -9.0528 -9.0525 -2.2035 -2.0807 -2.0056 -1.8792 -1.7169 -1.6421 -1.5836 -1.5810 -1.5515 -1.5318 -1.4897 -1.4857 -1.4820 -1.4532 -1.3765 -1.3652 -1.3387 -1.3362 -1.1791 -1.0537 -1.0195 -0.9955 -0.9877 -0.9765 -0.9419 -0.9259 -0.9152 -0.9114 -0.8745 -0.8634 -0.8453 -0.8245 -0.7617 -0.7598 -0.7305 -0.7157 -0.6463 -0.6446 -0.6035 -0.6012 -0.1792 -0.1472 0.0374 0.0664 0.2794 0.3079 0.8088 0.8433 1.9141 1.9166 2.1088 2.1102 2.2227 2.2278 2.9363 2.9423 4.5363 4.5502 5.0204 5.0554 5.3630 5.3946 6.6239 6.6493 k = 0.0000 0.0000 0.3031 ( 8108 PWs) bands (ev): -9.1799 -9.1796 -9.0552 -9.0549 -2.1972 -2.0851 -1.9986 -1.8819 -1.7143 -1.6487 -1.5797 -1.5774 -1.5521 -1.5349 -1.4885 -1.4864 -1.4824 -1.4540 -1.3743 -1.3637 -1.3390 -1.3366 -1.1691 -1.0572 -1.0186 -0.9946 -0.9879 -0.9789 -0.9412 -0.9270 -0.9147 -0.9101 -0.8751 -0.8640 -0.8439 -0.8238 -0.7611 -0.7593 -0.7283 -0.7144 -0.6438 -0.6421 -0.6013 -0.5986 -0.2049 -0.1770 0.0238 0.0498 0.2683 0.2919 0.8183 0.8475 1.9165 1.9187 2.1372 2.1393 2.2562 2.2626 3.0074 3.0119 4.4657 4.4757 4.9714 4.9984 5.3401 5.3671 6.5751 6.5960 k = 0.0000 0.0000 0.3248 ( 8109 PWs) bands (ev): -9.1778 -9.1775 -9.0573 -9.0570 -2.1899 -2.0917 -1.9902 -1.8870 -1.7104 -1.6552 -1.5756 -1.5738 -1.5524 -1.5374 -1.4896 -1.4875 -1.4805 -1.4550 -1.3721 -1.3627 -1.3392 -1.3369 -1.1585 -1.0625 -1.0173 -0.9936 -0.9894 -0.9800 -0.9403 -0.9283 -0.9142 -0.9087 -0.8755 -0.8648 -0.8421 -0.8235 -0.7605 -0.7588 -0.7262 -0.7136 -0.6416 -0.6398 -0.5990 -0.5961 -0.2291 -0.2057 0.0138 0.0362 0.2588 0.2776 0.8269 0.8508 1.9186 1.9205 2.1498 2.1525 2.3020 2.3075 3.0750 3.0780 4.4029 4.4094 4.9021 4.9200 5.3453 5.3654 6.5302 6.5470 k = 0.0000 0.0000 0.3464 ( 8112 PWs) bands (ev): -9.1759 -9.1757 -9.0592 -9.0590 -2.1816 -2.1000 -1.9808 -1.8942 -1.7058 -1.6613 -1.5716 -1.5705 -1.5522 -1.5395 -1.4910 -1.4893 -1.4775 -1.4563 -1.3700 -1.3621 -1.3393 -1.3372 -1.1475 -1.0691 -1.0157 -0.9942 -0.9902 -0.9803 -0.9395 -0.9296 -0.9135 -0.9076 -0.8755 -0.8657 -0.8400 -0.8238 -0.7599 -0.7584 -0.7241 -0.7133 -0.6395 -0.6379 -0.5967 -0.5938 -0.2503 -0.2316 0.0066 0.0250 0.2511 0.2655 0.8344 0.8533 1.9203 1.9219 2.1555 2.1579 2.3490 2.3532 3.1364 3.1380 4.3506 4.3543 4.8256 4.8365 5.3627 5.3771 6.4904 6.5034 k = 0.0000 0.0000 0.3681 ( 8110 PWs) bands (ev): -9.1744 -9.1742 -9.0608 -9.0606 -2.1725 -2.1095 -1.9704 -1.9032 -1.7006 -1.6672 -1.5683 -1.5675 -1.5516 -1.5412 -1.4924 -1.4911 -1.4742 -1.4580 -1.3681 -1.3619 -1.3393 -1.3376 -1.1363 -1.0767 -1.0139 -0.9972 -0.9890 -0.9806 -0.9386 -0.9310 -0.9125 -0.9070 -0.8750 -0.8669 -0.8375 -0.8246 -0.7593 -0.7581 -0.7221 -0.7135 -0.6377 -0.6363 -0.5944 -0.5918 -0.2675 -0.2536 0.0018 0.0160 0.2453 0.2557 0.8407 0.8548 1.9218 1.9230 2.1583 2.1601 2.3907 2.3936 3.1884 3.1890 4.3109 4.3125 4.7527 4.7590 5.3831 5.3930 6.4572 6.4668 k = 0.0000 0.0000 0.3898 ( 8111 PWs) bands (ev): -9.1732 -9.1731 -9.0620 -9.0618 -2.1626 -2.1198 -1.9593 -1.9134 -1.6952 -1.6729 -1.5659 -1.5651 -1.5502 -1.5427 -1.4936 -1.4927 -1.4710 -1.4600 -1.3664 -1.3621 -1.3391 -1.3379 -1.1251 -1.0851 -1.0118 -1.0005 -0.9872 -0.9812 -0.9376 -0.9324 -0.9114 -0.9071 -0.8741 -0.8682 -0.8349 -0.8259 -0.7588 -0.7579 -0.7201 -0.7142 -0.6363 -0.6353 -0.5925 -0.5905 -0.2798 -0.2705 -0.0008 0.0088 0.2415 0.2482 0.8460 0.8552 1.9229 1.9237 2.1598 2.1611 2.4231 2.4250 3.2278 3.2282 4.2841 4.2851 4.6920 4.6954 5.4011 5.4074 6.4324 6.4386 k = 0.0000 0.0000 0.4114 ( 8108 PWs) bands (ev): -9.1724 -9.1724 -9.0627 -9.0626 -2.1522 -2.1305 -1.9478 -1.9245 -1.6896 -1.6784 -1.5644 -1.5638 -1.5484 -1.5444 -1.4943 -1.4938 -1.4679 -1.4624 -1.3649 -1.3627 -1.3388 -1.3382 -1.1143 -1.0942 -1.0095 -1.0038 -0.9854 -0.9823 -0.9364 -0.9338 -0.9101 -0.9078 -0.8728 -0.8697 -0.8324 -0.8277 -0.7583 -0.7579 -0.7183 -0.7152 -0.6353 -0.6347 -0.5909 -0.5899 -0.2865 -0.2819 -0.0013 0.0035 0.2398 0.2431 0.8500 0.8546 1.9236 1.9241 2.1607 2.1613 2.4438 2.4447 3.2524 3.2528 4.2696 4.2705 4.6514 4.6529 5.4137 5.4168 6.4174 6.4204 k = 0.0000 0.0000 0.4331 ( 8100 PWs) bands (ev): -9.1722 -9.1722 -9.0629 -9.0629 -2.1414 -2.1414 -1.9361 -1.9361 -1.6840 -1.6840 -1.5636 -1.5636 -1.5463 -1.5463 -1.4944 -1.4944 -1.4650 -1.4650 -1.3636 -1.3636 -1.3385 -1.3385 -1.1040 -1.1040 -1.0068 -1.0068 -0.9837 -0.9837 -0.9352 -0.9352 -0.9088 -0.9088 -0.8712 -0.8712 -0.8299 -0.8299 -0.7580 -0.7580 -0.7166 -0.7166 -0.6347 -0.6347 -0.5900 -0.5900 -0.2873 -0.2873 0.0001 0.0001 0.2403 0.2403 0.8529 0.8529 1.9240 1.9240 2.1611 2.1611 2.4512 2.4512 3.2610 3.2610 4.2656 4.2656 4.6374 4.6374 5.4191 5.4191 6.4132 6.4132 k = 0.0000 0.0000 0.4331 ( 8100 PWs) bands (ev): -9.1722 -9.1722 -9.0629 -9.0629 -2.1414 -2.1414 -1.9361 -1.9361 -1.6840 -1.6840 -1.5636 -1.5636 -1.5463 -1.5463 -1.4944 -1.4944 -1.4650 -1.4650 -1.3636 -1.3636 -1.3385 -1.3385 -1.1040 -1.1040 -1.0068 -1.0068 -0.9837 -0.9837 -0.9352 -0.9352 -0.9088 -0.9088 -0.8712 -0.8712 -0.8299 -0.8299 -0.7580 -0.7580 -0.7166 -0.7166 -0.6347 -0.6347 -0.5900 -0.5900 -0.2873 -0.2873 0.0001 0.0001 0.2403 0.2403 0.8529 0.8529 1.9240 1.9240 2.1611 2.1611 2.4512 2.4512 3.2610 3.2610 4.2656 4.2656 4.6374 4.6374 5.4191 5.4191 6.4132 6.4132 k = 0.0000 0.0213 0.4331 ( 8103 PWs) bands (ev): -9.1720 -9.1720 -9.0627 -9.0627 -2.1449 -2.1378 -1.9399 -1.9322 -1.6859 -1.6821 -1.5638 -1.5636 -1.5472 -1.5454 -1.4945 -1.4940 -1.4664 -1.4635 -1.3639 -1.3633 -1.3393 -1.3378 -1.1076 -1.1005 -1.0078 -1.0059 -0.9852 -0.9819 -0.9366 -0.9338 -0.9097 -0.9080 -0.8719 -0.8707 -0.8321 -0.8276 -0.7581 -0.7579 -0.7173 -0.7160 -0.6352 -0.6341 -0.5910 -0.5891 -0.2874 -0.2857 -0.0004 0.0020 0.2404 0.2415 0.8530 0.8537 1.9214 1.9219 2.1585 2.1586 2.4525 2.4533 3.2610 3.2617 4.2667 4.2676 4.6389 4.6396 5.4189 5.4197 6.4137 6.4150 k = 0.0000 0.0425 0.4331 ( 8103 PWs) bands (ev): -9.1716 -9.1715 -9.0622 -9.0621 -2.1483 -2.1342 -1.9435 -1.9284 -1.6878 -1.6802 -1.5642 -1.5638 -1.5481 -1.5446 -1.4944 -1.4932 -1.4676 -1.4619 -1.3640 -1.3630 -1.3402 -1.3371 -1.1112 -1.0970 -1.0088 -1.0050 -0.9866 -0.9800 -0.9382 -0.9325 -0.9107 -0.9072 -0.8726 -0.8702 -0.8343 -0.8254 -0.7582 -0.7578 -0.7179 -0.7154 -0.6354 -0.6333 -0.5920 -0.5882 -0.2859 -0.2826 0.0006 0.0053 0.2416 0.2438 0.8539 0.8554 1.9140 1.9149 2.1509 2.1511 2.4570 2.4586 3.2618 3.2630 4.2706 4.2725 4.6440 4.6453 5.4190 5.4207 6.4164 6.4191 k = 0.0000 0.0638 0.4331 ( 8102 PWs) bands (ev): -9.1708 -9.1707 -9.0613 -9.0612 -2.1515 -2.1304 -1.9472 -1.9244 -1.6897 -1.6783 -1.5648 -1.5641 -1.5490 -1.5439 -1.4939 -1.4923 -1.4687 -1.4601 -1.3641 -1.3625 -1.3412 -1.3366 -1.1149 -1.0937 -1.0098 -1.0041 -0.9876 -0.9780 -0.9398 -0.9313 -0.9117 -0.9065 -0.8733 -0.8697 -0.8363 -0.8231 -0.7583 -0.7577 -0.7186 -0.7148 -0.6355 -0.6322 -0.5931 -0.5873 -0.2829 -0.2780 0.0029 0.0099 0.2441 0.2474 0.8557 0.8579 1.9018 1.9032 2.1389 2.1392 2.4642 2.4666 3.2632 3.2651 4.2775 4.2802 4.6526 4.6545 5.4196 5.4221 6.4214 6.4254 k = 0.0000 0.0851 0.4331 ( 8102 PWs) bands (ev): -9.1697 -9.1697 -9.0600 -9.0599 -2.1546 -2.1265 -1.9507 -1.9205 -1.6915 -1.6763 -1.5655 -1.5646 -1.5498 -1.5432 -1.4931 -1.4911 -1.4696 -1.4582 -1.3642 -1.3621 -1.3422 -1.3361 -1.1186 -1.0905 -1.0108 -1.0032 -0.9884 -0.9760 -0.9414 -0.9302 -0.9127 -0.9060 -0.8741 -0.8694 -0.8382 -0.8208 -0.7585 -0.7576 -0.7192 -0.7141 -0.6354 -0.6310 -0.5942 -0.5865 -0.2783 -0.2719 0.0067 0.0160 0.2478 0.2521 0.8583 0.8613 1.8850 1.8869 2.1232 2.1236 2.4737 2.4768 3.2653 3.2678 4.2872 4.2908 4.6646 4.6673 5.4206 5.4239 6.4285 6.4339 k = 0.0000 0.1063 0.4331 ( 8111 PWs) bands (ev): -9.1684 -9.1683 -9.0584 -9.0583 -2.1576 -2.1226 -1.9541 -1.9165 -1.6934 -1.6744 -1.5665 -1.5653 -1.5506 -1.5426 -1.4922 -1.4897 -1.4705 -1.4563 -1.3642 -1.3616 -1.3433 -1.3357 -1.1223 -1.0874 -1.0118 -1.0024 -0.9890 -0.9739 -0.9432 -0.9292 -0.9136 -0.9055 -0.8748 -0.8691 -0.8399 -0.8187 -0.7586 -0.7574 -0.7200 -0.7135 -0.6351 -0.6295 -0.5954 -0.5858 -0.2721 -0.2643 0.0119 0.0234 0.2526 0.2579 0.8618 0.8655 1.8636 1.8662 2.1045 2.1051 2.4850 2.4888 3.2681 3.2712 4.2996 4.3042 4.6801 4.6834 5.4220 5.4261 6.4377 6.4445 k = 0.0000 0.1276 0.4331 ( 8103 PWs) bands (ev): -9.1667 -9.1666 -9.0564 -9.0563 -2.1605 -2.1187 -1.9574 -1.9126 -1.6952 -1.6724 -1.5675 -1.5662 -1.5513 -1.5420 -1.4910 -1.4881 -1.4713 -1.4541 -1.3643 -1.3612 -1.3445 -1.3353 -1.1260 -1.0844 -1.0128 -1.0017 -0.9892 -0.9719 -0.9449 -0.9282 -0.9145 -0.9052 -0.8756 -0.8688 -0.8415 -0.8165 -0.7588 -0.7572 -0.7207 -0.7128 -0.6345 -0.6278 -0.5965 -0.5850 -0.2645 -0.2553 0.0186 0.0322 0.2587 0.2649 0.8662 0.8705 1.8380 1.8412 2.0835 2.0842 2.4975 2.5020 3.2715 3.2752 4.3147 4.3201 4.6987 4.7027 5.4239 5.4288 6.4489 6.4573 k = 0.0000 0.1489 0.4331 ( 8104 PWs) bands (ev): -9.1648 -9.1647 -9.0541 -9.0539 -2.1632 -2.1147 -1.9606 -1.9087 -1.6970 -1.6705 -1.5688 -1.5672 -1.5519 -1.5414 -1.4897 -1.4864 -1.4720 -1.4520 -1.3644 -1.3607 -1.3458 -1.3351 -1.1297 -1.0816 -1.0137 -1.0009 -0.9891 -0.9700 -0.9466 -0.9274 -0.9153 -0.9051 -0.8764 -0.8686 -0.8429 -0.8145 -0.7590 -0.7570 -0.7214 -0.7120 -0.6338 -0.6259 -0.5977 -0.5843 -0.2553 -0.2449 0.0266 0.0424 0.2659 0.2730 0.8713 0.8764 1.8084 1.8122 2.0607 2.0616 2.5110 2.5162 3.2755 3.2798 4.3323 4.3386 4.7205 4.7252 5.4263 5.4319 6.4621 6.4721 k = 0.0000 0.1701 0.4331 ( 8102 PWs) bands (ev): -9.1626 -9.1625 -9.0515 -9.0513 -2.1658 -2.1107 -1.9637 -1.9049 -1.6988 -1.6685 -1.5702 -1.5684 -1.5523 -1.5408 -1.4882 -1.4845 -1.4726 -1.4497 -1.3645 -1.3604 -1.3471 -1.3351 -1.1334 -1.0789 -1.0146 -1.0003 -0.9887 -0.9683 -0.9483 -0.9265 -0.9160 -0.9050 -0.8771 -0.8684 -0.8441 -0.8126 -0.7592 -0.7566 -0.7221 -0.7111 -0.6329 -0.6238 -0.5989 -0.5837 -0.2446 -0.2330 0.0361 0.0539 0.2742 0.2821 0.8773 0.8830 1.7751 1.7795 2.0365 2.0376 2.5252 2.5311 3.2801 3.2850 4.3522 4.3594 4.7453 4.7506 5.4292 5.4355 6.4769 6.4888 k = 0.0000 0.1914 0.4331 ( 8112 PWs) bands (ev): -9.1601 -9.1600 -9.0485 -9.0484 -2.1683 -2.1068 -1.9667 -1.9012 -1.7006 -1.6665 -1.5717 -1.5697 -1.5527 -1.5401 -1.4868 -1.4826 -1.4732 -1.4475 -1.3649 -1.3602 -1.3486 -1.3351 -1.1370 -1.0763 -1.0154 -0.9998 -0.9880 -0.9667 -0.9499 -0.9258 -0.9166 -0.9051 -0.8778 -0.8682 -0.8452 -0.8108 -0.7595 -0.7563 -0.7229 -0.7102 -0.6317 -0.6215 -0.6002 -0.5830 -0.2324 -0.2199 0.0470 0.0667 0.2836 0.2923 0.8839 0.8904 1.7385 1.7436 2.0113 2.0126 2.5401 2.5467 3.2852 3.2907 4.3745 4.3825 4.7728 4.7789 5.4327 5.4397 6.4934 6.5072 k = 0.0000 0.2127 0.4331 ( 8118 PWs) bands (ev): -9.1575 -9.1573 -9.0453 -9.0451 -2.1707 -2.1028 -1.9696 -1.8977 -1.7023 -1.6645 -1.5732 -1.5712 -1.5530 -1.5395 -1.4854 -1.4807 -1.4737 -1.4452 -1.3654 -1.3600 -1.3501 -1.3354 -1.1406 -1.0738 -1.0161 -0.9993 -0.9871 -0.9654 -0.9514 -0.9251 -0.9169 -0.9053 -0.8784 -0.8681 -0.8460 -0.8092 -0.7597 -0.7559 -0.7236 -0.7092 -0.6304 -0.6189 -0.6014 -0.5824 -0.2188 -0.2054 0.0592 0.0808 0.2940 0.3034 0.8914 0.8986 1.6990 1.7048 1.9854 1.9869 2.5555 2.5627 3.2909 3.2969 4.3988 4.4076 4.8030 4.8098 5.4367 5.4445 6.5113 6.5273 k = 0.0000 0.2339 0.4331 ( 8120 PWs) bands (ev): -9.1546 -9.1544 -9.0418 -9.0416 -2.1729 -2.0990 -1.9724 -1.8942 -1.7040 -1.6624 -1.5748 -1.5728 -1.5532 -1.5388 -1.4840 -1.4788 -1.4741 -1.4430 -1.3661 -1.3601 -1.3518 -1.3358 -1.1441 -1.0715 -1.0168 -0.9989 -0.9859 -0.9643 -0.9528 -0.9245 -0.9171 -0.9055 -0.8789 -0.8678 -0.8467 -0.8078 -0.7599 -0.7554 -0.7243 -0.7081 -0.6288 -0.6162 -0.6027 -0.5817 -0.2039 -0.1897 0.0729 0.0962 0.3055 0.3155 0.8995 0.9074 1.6570 1.6636 1.9590 1.9607 2.5714 2.5792 3.2970 3.3036 4.4251 4.4347 4.8355 4.8431 5.4414 5.4498 6.5302 6.5488 k = 0.0000 0.2552 0.4331 ( 8118 PWs) bands (ev): -9.1515 -9.1513 -9.0381 -9.0379 -2.1750 -2.0952 -1.9750 -1.8910 -1.7056 -1.6604 -1.5764 -1.5744 -1.5534 -1.5380 -1.4828 -1.4773 -1.4742 -1.4408 -1.3672 -1.3602 -1.3534 -1.3363 -1.1475 -1.0692 -1.0174 -0.9985 -0.9845 -0.9636 -0.9541 -0.9240 -0.9168 -0.9057 -0.8792 -0.8676 -0.8472 -0.8065 -0.7601 -0.7548 -0.7250 -0.7070 -0.6270 -0.6132 -0.6039 -0.5810 -0.1876 -0.1728 0.0879 0.1128 0.3180 0.3284 0.9082 0.9170 1.6130 1.6203 1.9323 1.9342 2.5876 2.5961 3.3036 3.3108 4.4533 4.4637 4.8703 4.8787 5.4468 5.4559 6.5500 6.5715 k = 0.0000 0.2765 0.4331 ( 8112 PWs) bands (ev): -9.1482 -9.1481 -9.0341 -9.0339 -2.1770 -2.0915 -1.9776 -1.8879 -1.7071 -1.6583 -1.5780 -1.5760 -1.5535 -1.5373 -1.4817 -1.4769 -1.4732 -1.4386 -1.3685 -1.3606 -1.3551 -1.3370 -1.1508 -1.0670 -1.0180 -0.9982 -0.9829 -0.9631 -0.9551 -0.9238 -0.9162 -0.9060 -0.8794 -0.8672 -0.8475 -0.8053 -0.7603 -0.7541 -0.7256 -0.7058 -0.6250 -0.6100 -0.6052 -0.5803 -0.1700 -0.1547 0.1043 0.1307 0.3313 0.3422 0.9176 0.9271 1.5674 1.5755 1.9056 1.9077 2.6042 2.6133 3.3106 3.3183 4.4831 4.4943 4.9071 4.9164 5.4529 5.4626 6.5701 6.5949 k = 0.0000 0.2977 0.4331 ( 8114 PWs) bands (ev): -9.1448 -9.1446 -9.0300 -9.0297 -2.1788 -2.0879 -1.9800 -1.8851 -1.7086 -1.6562 -1.5797 -1.5777 -1.5535 -1.5364 -1.4809 -1.4771 -1.4716 -1.4366 -1.3703 -1.3612 -1.3568 -1.3380 -1.1541 -1.0649 -1.0186 -0.9979 -0.9811 -0.9630 -0.9558 -0.9239 -0.9152 -0.9063 -0.8794 -0.8668 -0.8477 -0.8044 -0.7604 -0.7534 -0.7262 -0.7047 -0.6229 -0.6066 -0.6064 -0.5794 -0.1513 -0.1356 0.1219 0.1498 0.3456 0.3567 0.9275 0.9379 1.5205 1.5294 1.8790 1.8813 2.6211 2.6308 3.3180 3.3262 4.5146 4.5265 4.9456 4.9559 5.4599 5.4702 6.5900 6.6187 k = 0.0000 0.3190 0.4331 ( 8116 PWs) bands (ev): -9.1413 -9.1411 -9.0256 -9.0253 -2.1806 -2.0845 -1.9823 -1.8825 -1.7100 -1.6541 -1.5812 -1.5794 -1.5535 -1.5356 -1.4806 -1.4773 -1.4698 -1.4347 -1.3723 -1.3620 -1.3585 -1.3391 -1.1572 -1.0629 -1.0193 -0.9976 -0.9793 -0.9633 -0.9563 -0.9243 -0.9138 -0.9064 -0.8792 -0.8663 -0.8478 -0.8035 -0.7605 -0.7525 -0.7268 -0.7035 -0.6206 -0.6076 -0.6031 -0.5784 -0.1315 -0.1155 0.1409 0.1700 0.3606 0.3719 0.9378 0.9492 1.4727 1.4826 1.8527 1.8552 2.6383 2.6485 3.3257 3.3344 4.5474 4.5600 4.9855 4.9970 5.4677 5.4786 6.6088 6.6422 k = 0.0000 0.3403 0.4331 ( 8116 PWs) bands (ev): -9.1377 -9.1375 -9.0211 -9.0208 -2.1822 -2.0813 -1.9845 -1.8802 -1.7112 -1.6521 -1.5828 -1.5810 -1.5535 -1.5347 -1.4809 -1.4773 -1.4681 -1.4329 -1.3748 -1.3633 -1.3600 -1.3404 -1.1603 -1.0609 -1.0201 -0.9973 -0.9774 -0.9637 -0.9564 -0.9249 -0.9121 -0.9065 -0.8788 -0.8657 -0.8478 -0.8028 -0.7605 -0.7516 -0.7272 -0.7024 -0.6182 -0.6089 -0.5993 -0.5772 -0.1107 -0.0944 0.1611 0.1912 0.3764 0.3878 0.9485 0.9609 1.4244 1.4353 1.8269 1.8295 2.6558 2.6664 3.3337 3.3429 4.5816 4.5949 5.0267 5.0395 5.4765 5.4880 6.6255 6.6642 k = 0.0000 0.3616 0.4331 ( 8114 PWs) bands (ev): -9.1340 -9.1338 -9.0165 -9.0162 -2.1837 -2.0783 -1.9866 -1.8782 -1.7124 -1.6500 -1.5843 -1.5826 -1.5535 -1.5337 -1.4817 -1.4772 -1.4665 -1.4312 -1.3775 -1.3652 -1.3613 -1.3418 -1.1632 -1.0591 -1.0210 -0.9969 -0.9757 -0.9643 -0.9563 -0.9256 -0.9104 -0.9063 -0.8782 -0.8651 -0.8477 -0.8023 -0.7604 -0.7507 -0.7276 -0.7013 -0.6158 -0.6100 -0.5955 -0.5758 -0.0890 -0.0727 0.1824 0.2135 0.3929 0.4042 0.9595 0.9731 1.3759 1.3879 1.8017 1.8044 2.6734 2.6845 3.3419 3.3516 4.6169 4.6309 5.0688 5.0830 5.4863 5.4984 6.6378 6.6825 k = 0.0000 0.3828 0.4331 ( 8112 PWs) bands (ev): -9.1302 -9.1300 -9.0118 -9.0115 -2.1852 -2.0756 -1.9885 -1.8764 -1.7134 -1.6479 -1.5857 -1.5842 -1.5535 -1.5327 -1.4827 -1.4771 -1.4650 -1.4298 -1.3804 -1.3674 -1.3624 -1.3434 -1.1661 -1.0573 -1.0219 -0.9965 -0.9740 -0.9650 -0.9559 -0.9264 -0.9093 -0.9053 -0.8773 -0.8642 -0.8475 -0.8019 -0.7602 -0.7496 -0.7279 -0.7003 -0.6136 -0.6110 -0.5915 -0.5741 -0.0666 -0.0502 0.2048 0.2368 0.4100 0.4211 0.9705 0.9856 1.3275 1.3408 1.7772 1.7802 2.6911 2.7026 3.3504 3.3605 4.6531 4.6678 5.1113 5.1273 5.4973 5.5100 6.6403 6.6890 k = 0.0000 0.4041 0.4331 ( 8103 PWs) bands (ev): -9.1265 -9.1262 -9.0070 -9.0066 -2.1865 -2.0731 -1.9903 -1.8750 -1.7142 -1.6459 -1.5871 -1.5856 -1.5534 -1.5317 -1.4840 -1.4772 -1.4637 -1.4285 -1.3836 -1.3700 -1.3634 -1.3451 -1.1688 -1.0557 -1.0229 -0.9961 -0.9727 -0.9655 -0.9553 -0.9272 -0.9089 -0.9034 -0.8762 -0.8633 -0.8473 -0.8016 -0.7600 -0.7485 -0.7281 -0.6994 -0.6129 -0.6106 -0.5874 -0.5720 -0.0435 -0.0271 0.2283 0.2609 0.4277 0.4384 0.9815 0.9983 1.2794 1.2943 1.7537 1.7568 2.7088 2.7207 3.3589 3.3696 4.6902 4.7055 5.1537 5.1718 5.5095 5.5228 6.6109 6.6475 k = 0.0000 0.4254 0.4331 ( 8109 PWs) bands (ev): -9.1227 -9.1224 -9.0021 -9.0018 -2.1877 -2.0709 -1.9920 -1.8740 -1.7149 -1.6439 -1.5884 -1.5870 -1.5534 -1.5307 -1.4853 -1.4776 -1.4625 -1.4275 -1.3869 -1.3728 -1.3645 -1.3469 -1.1715 -1.0543 -1.0238 -0.9958 -0.9719 -0.9658 -0.9543 -0.9281 -0.9089 -0.9011 -0.8749 -0.8622 -0.8471 -0.8014 -0.7596 -0.7474 -0.7282 -0.6986 -0.6138 -0.6087 -0.5832 -0.5696 -0.0198 -0.0036 0.2526 0.2857 0.4458 0.4561 0.9922 1.0113 1.2319 1.2490 1.7312 1.7345 2.7265 2.7386 3.3676 3.3786 4.7277 4.7437 5.1956 5.2160 5.5232 5.5371 6.5274 6.5538 k = 0.0000 0.4466 0.4331 ( 8125 PWs) bands (ev): -9.1190 -9.1187 -8.9973 -8.9970 -2.1889 -2.0691 -1.9936 -1.8733 -1.7154 -1.6420 -1.5897 -1.5883 -1.5533 -1.5296 -1.4868 -1.4782 -1.4614 -1.4266 -1.3902 -1.3758 -1.3656 -1.3487 -1.1741 -1.0531 -1.0248 -0.9955 -0.9718 -0.9657 -0.9530 -0.9289 -0.9090 -0.8986 -0.8735 -0.8609 -0.8469 -0.8014 -0.7592 -0.7463 -0.7283 -0.6979 -0.6149 -0.6070 -0.5789 -0.5669 0.0042 0.0203 0.2778 0.3111 0.4644 0.4740 1.0019 1.0242 1.1854 1.2055 1.7099 1.7133 2.7439 2.7562 3.3762 3.3877 4.7655 4.7822 5.2362 5.2594 5.5385 5.5531 6.4259 6.4504 k = 0.0000 0.4679 0.4331 ( 8118 PWs) bands (ev): -9.1153 -9.1150 -8.9924 -8.9921 -2.1899 -2.0675 -1.9950 -1.8728 -1.7157 -1.6401 -1.5909 -1.5895 -1.5533 -1.5284 -1.4884 -1.4791 -1.4605 -1.4260 -1.3935 -1.3790 -1.3666 -1.3504 -1.1766 -1.0523 -1.0255 -0.9953 -0.9722 -0.9654 -0.9513 -0.9296 -0.9092 -0.8961 -0.8720 -0.8595 -0.8466 -0.8015 -0.7586 -0.7451 -0.7282 -0.6974 -0.6160 -0.6055 -0.5745 -0.5638 0.0285 0.0443 0.3036 0.3371 0.4834 0.4921 1.0098 1.0370 1.1400 1.1649 1.6898 1.6933 2.7610 2.7734 3.3848 3.3966 4.8033 4.8206 5.2748 5.3010 5.5556 5.5710 6.3236 6.3479 k = 0.0000 0.4892 0.4331 ( 8103 PWs) bands (ev): -9.1117 -9.1114 -8.9877 -8.9873 -2.1909 -2.0663 -1.9963 -1.8727 -1.7158 -1.6383 -1.5921 -1.5905 -1.5533 -1.5272 -1.4899 -1.4802 -1.4597 -1.4256 -1.3968 -1.3822 -1.3677 -1.3521 -1.1791 -1.0517 -1.0261 -0.9952 -0.9729 -0.9649 -0.9495 -0.9300 -0.9093 -0.8936 -0.8704 -0.8579 -0.8461 -0.8016 -0.7579 -0.7439 -0.7280 -0.6970 -0.6171 -0.6042 -0.5700 -0.5604 0.0530 0.0685 0.3299 0.3633 0.5027 0.5103 1.0134 1.0489 1.0966 1.1296 1.6709 1.6746 2.7776 2.7900 3.3933 3.4054 4.8405 4.8586 5.3103 5.3397 5.5746 5.5909 6.2247 6.2493 k = 0.0000 0.5104 0.4331 ( 8095 PWs) bands (ev): -9.1082 -9.1080 -8.9830 -8.9826 -2.1917 -2.0655 -1.9974 -1.8729 -1.7157 -1.6367 -1.5932 -1.5915 -1.5533 -1.5260 -1.4915 -1.4816 -1.4590 -1.4255 -1.3999 -1.3856 -1.3687 -1.3537 -1.1814 -1.0516 -1.0264 -0.9952 -0.9738 -0.9645 -0.9474 -0.9303 -0.9095 -0.8913 -0.8687 -0.8563 -0.8456 -0.8019 -0.7571 -0.7427 -0.7277 -0.6967 -0.6182 -0.6032 -0.5656 -0.5569 0.0774 0.0926 0.3565 0.3897 0.5222 0.5287 1.0081 1.0465 1.0685 1.1045 1.6534 1.6572 2.7935 2.8058 3.4015 3.4139 4.8769 4.8957 5.3417 5.3743 5.5959 5.6130 6.1313 6.1565 k = 0.0000 0.5317 0.4331 ( 8101 PWs) bands (ev): -9.1049 -9.1046 -8.9784 -8.9780 -2.1925 -2.0651 -1.9984 -1.8735 -1.7155 -1.6351 -1.5943 -1.5923 -1.5534 -1.5248 -1.4931 -1.4833 -1.4585 -1.4256 -1.4028 -1.3891 -1.3698 -1.3552 -1.1838 -1.0520 -1.0264 -0.9954 -0.9750 -0.9642 -0.9454 -0.9304 -0.9096 -0.8893 -0.8668 -0.8548 -0.8448 -0.8023 -0.7563 -0.7416 -0.7274 -0.6966 -0.6192 -0.6026 -0.5612 -0.5532 0.1017 0.1165 0.3832 0.4159 0.5419 0.5471 0.9893 1.0088 1.0765 1.0944 1.6372 1.6411 2.8084 2.8205 3.4095 3.4221 4.9117 4.9312 5.3677 5.4029 5.6194 5.6372 6.0453 6.0713 k = 0.0000 0.5530 0.4331 ( 8097 PWs) bands (ev): -9.1017 -9.1015 -8.9739 -8.9736 -2.1932 -2.0650 -1.9993 -1.8743 -1.7150 -1.6337 -1.5953 -1.5930 -1.5534 -1.5235 -1.4946 -1.4851 -1.4580 -1.4260 -1.4054 -1.3925 -1.3707 -1.3566 -1.1860 -1.0527 -1.0261 -0.9956 -0.9762 -0.9640 -0.9433 -0.9301 -0.9096 -0.8876 -0.8649 -0.8535 -0.8436 -0.8028 -0.7554 -0.7405 -0.7269 -0.6966 -0.6203 -0.6022 -0.5568 -0.5495 0.1257 0.1402 0.4099 0.4419 0.5617 0.5655 0.9608 0.9696 1.0864 1.0961 1.6223 1.6264 2.8222 2.8338 3.4171 3.4299 4.9444 4.9647 5.3871 5.4237 5.6450 5.6630 5.9686 5.9960 k = 0.0000 0.5742 0.4331 ( 8100 PWs) bands (ev): -9.0988 -9.0985 -8.9696 -8.9693 -2.1938 -2.0653 -2.0000 -1.8754 -1.7143 -1.6325 -1.5962 -1.5937 -1.5535 -1.5223 -1.4960 -1.4870 -1.4576 -1.4267 -1.4078 -1.3958 -1.3716 -1.3578 -1.1882 -1.0538 -1.0256 -0.9959 -0.9776 -0.9639 -0.9413 -0.9296 -0.9096 -0.8862 -0.8628 -0.8525 -0.8420 -0.8033 -0.7545 -0.7395 -0.7264 -0.6967 -0.6214 -0.6020 -0.5525 -0.5459 0.1494 0.1636 0.4362 0.4674 0.5812 0.5844 0.9283 0.9321 1.0946 1.1040 1.6088 1.6130 2.8344 2.8456 3.4243 3.4371 4.9742 4.9953 5.3984 5.4350 5.6719 5.6892 5.9039 5.9334 k = 0.0000 0.5955 0.4331 ( 8092 PWs) bands (ev): -9.0960 -9.0958 -8.9655 -8.9652 -2.1943 -2.0659 -2.0005 -1.8767 -1.7133 -1.6313 -1.5971 -1.5943 -1.5535 -1.5210 -1.4973 -1.4890 -1.4572 -1.4275 -1.4100 -1.3990 -1.3723 -1.3589 -1.1902 -1.0552 -1.0248 -0.9963 -0.9792 -0.9639 -0.9394 -0.9287 -0.9095 -0.8851 -0.8607 -0.8518 -0.8401 -0.8039 -0.7535 -0.7385 -0.7258 -0.6969 -0.6224 -0.6021 -0.5485 -0.5423 0.1725 0.1865 0.4619 0.4921 0.6000 0.6039 0.8941 0.8975 1.1020 1.1136 1.5965 1.6010 2.8449 2.8553 3.4309 3.4437 5.0004 5.0223 5.4003 5.4358 5.6980 5.7133 5.8549 5.8873 k = 0.0000 0.6168 0.4331 ( 8092 PWs) bands (ev): -9.0935 -9.0933 -8.9617 -8.9613 -2.1947 -2.0669 -2.0010 -1.8783 -1.7122 -1.6304 -1.5979 -1.5947 -1.5536 -1.5198 -1.4985 -1.4911 -1.4569 -1.4286 -1.4119 -1.4021 -1.3730 -1.3598 -1.1922 -1.0569 -1.0239 -0.9967 -0.9808 -0.9640 -0.9376 -0.9276 -0.9093 -0.8843 -0.8586 -0.8512 -0.8379 -0.8047 -0.7525 -0.7376 -0.7251 -0.6973 -0.6234 -0.6024 -0.5446 -0.5389 0.1951 0.2089 0.4868 0.5157 0.6182 0.6240 0.8603 0.8653 1.1091 1.1231 1.5854 1.5901 2.8531 2.8627 3.4370 3.4496 5.0222 5.0450 5.3924 5.4267 5.7172 5.7294 5.8293 5.8624 k = 0.0000 0.6380 0.4331 ( 8086 PWs) bands (ev): -9.0913 -9.0910 -8.9580 -8.9577 -2.1950 -2.0682 -2.0013 -1.8801 -1.7109 -1.6296 -1.5987 -1.5951 -1.5537 -1.5185 -1.4994 -1.4931 -1.4565 -1.4298 -1.4136 -1.4048 -1.3735 -1.3606 -1.1941 -1.0587 -1.0230 -0.9971 -0.9826 -0.9642 -0.9360 -0.9262 -0.9091 -0.8838 -0.8567 -0.8507 -0.8355 -0.8054 -0.7515 -0.7367 -0.7245 -0.6977 -0.6244 -0.6029 -0.5410 -0.5357 0.2171 0.2307 0.5105 0.5381 0.6361 0.6442 0.8282 0.8349 1.1156 1.1318 1.5754 1.5804 2.8588 2.8674 3.4422 3.4545 5.0391 5.0627 5.3762 5.4102 5.7188 5.7337 5.8352 5.8623 k = 0.0000 0.6593 0.4331 ( 8072 PWs) bands (ev): -9.0893 -9.0890 -8.9547 -8.9544 -2.1952 -2.0698 -2.0015 -1.8821 -1.7094 -1.6290 -1.5993 -1.5955 -1.5537 -1.5174 -1.5001 -1.4950 -1.4562 -1.4310 -1.4152 -1.4073 -1.3737 -1.3613 -1.1958 -1.0607 -1.0219 -0.9975 -0.9845 -0.9644 -0.9345 -0.9247 -0.9089 -0.8834 -0.8552 -0.8500 -0.8331 -0.8063 -0.7505 -0.7360 -0.7237 -0.6983 -0.6254 -0.6036 -0.5377 -0.5328 0.2383 0.2519 0.5327 0.5590 0.6536 0.6640 0.7982 0.8067 1.1211 1.1395 1.5665 1.5718 2.8616 2.8690 3.4467 3.4585 5.0509 5.0753 5.3550 5.3896 5.7068 5.7305 5.8633 5.8832 k = 0.0000 0.6806 0.4331 ( 8076 PWs) bands (ev): -9.0876 -9.0874 -8.9516 -8.9513 -2.1953 -2.0716 -2.0016 -1.8843 -1.7077 -1.6285 -1.5999 -1.5957 -1.5538 -1.5164 -1.5006 -1.4967 -1.4558 -1.4323 -1.4168 -1.4093 -1.3739 -1.3618 -1.1974 -1.0628 -1.0209 -0.9979 -0.9864 -0.9648 -0.9331 -0.9231 -0.9086 -0.8833 -0.8543 -0.8489 -0.8306 -0.8072 -0.7496 -0.7353 -0.7231 -0.6990 -0.6264 -0.6045 -0.5349 -0.5303 0.2589 0.2724 0.5530 0.5783 0.6705 0.6827 0.7707 0.7813 1.1255 1.1460 1.5586 1.5642 2.8610 2.8672 3.4501 3.4613 5.0581 5.0831 5.3325 5.3680 5.6932 5.7234 5.9004 5.9156 k = 0.0000 0.7018 0.4331 ( 8073 PWs) bands (ev): -9.0862 -9.0860 -8.9488 -8.9485 -2.1953 -2.0738 -2.0017 -1.8866 -1.7059 -1.6282 -1.6005 -1.5959 -1.5538 -1.5156 -1.5007 -1.4982 -1.4554 -1.4335 -1.4184 -1.4108 -1.3739 -1.3623 -1.1988 -1.0650 -1.0199 -0.9982 -0.9883 -0.9652 -0.9318 -0.9215 -0.9082 -0.8833 -0.8538 -0.8474 -0.8283 -0.8083 -0.7488 -0.7348 -0.7224 -0.6999 -0.6273 -0.6056 -0.5324 -0.5281 0.2788 0.2924 0.5712 0.5958 0.6860 0.6979 0.7468 0.7612 1.1286 1.1512 1.5516 1.5575 2.8568 2.8616 3.4524 3.4627 5.0619 5.0870 5.3120 5.3477 5.6810 5.7152 5.9404 5.9530 k = 0.0000 0.7231 0.4331 ( 8076 PWs) bands (ev): -9.0852 -9.0850 -8.9464 -8.9461 -2.1952 -2.0761 -2.0016 -1.8891 -1.7039 -1.6280 -1.6009 -1.5961 -1.5537 -1.5149 -1.5007 -1.4992 -1.4550 -1.4347 -1.4201 -1.4119 -1.3737 -1.3627 -1.2001 -1.0674 -1.0189 -0.9986 -0.9902 -0.9657 -0.9305 -0.9200 -0.9079 -0.8835 -0.8537 -0.8459 -0.8260 -0.8093 -0.7480 -0.7344 -0.7218 -0.7008 -0.6282 -0.6068 -0.5304 -0.5262 0.2979 0.3117 0.5868 0.6112 0.6949 0.7024 0.7311 0.7539 1.1303 1.1549 1.5453 1.5515 2.8486 2.8520 3.4532 3.4626 5.0642 5.0890 5.2951 5.3301 5.6704 5.7065 5.9783 5.9893 k = 0.0000 0.7444 0.4331 ( 8084 PWs) bands (ev): -9.0845 -9.0843 -8.9443 -8.9440 -2.1951 -2.0787 -2.0015 -1.8918 -1.7017 -1.6279 -1.6013 -1.5962 -1.5536 -1.5145 -1.5011 -1.4991 -1.4545 -1.4358 -1.4216 -1.4126 -1.3733 -1.3630 -1.2011 -1.0698 -1.0180 -0.9990 -0.9919 -0.9662 -0.9292 -0.9186 -0.9075 -0.8838 -0.8538 -0.8444 -0.8239 -0.8105 -0.7474 -0.7341 -0.7212 -0.7019 -0.6292 -0.6083 -0.5288 -0.5248 0.3164 0.3305 0.5991 0.6241 0.6872 0.6927 0.7346 0.7628 1.1305 1.1571 1.5398 1.5463 2.8363 2.8384 3.4524 3.4606 5.0670 5.0911 5.2826 5.3159 5.6609 5.6975 6.0061 6.0149 k = 0.0000 0.7656 0.4331 ( 8078 PWs) bands (ev): -9.0841 -9.0839 -8.9425 -8.9423 -2.1947 -2.0815 -2.0012 -1.8945 -1.6994 -1.6278 -1.6017 -1.5963 -1.5534 -1.5143 -1.5017 -1.4981 -1.4539 -1.4367 -1.4231 -1.4130 -1.3728 -1.3632 -1.2020 -1.0724 -1.0172 -0.9994 -0.9934 -0.9668 -0.9280 -0.9174 -0.9070 -0.8842 -0.8539 -0.8430 -0.8220 -0.8117 -0.7469 -0.7339 -0.7206 -0.7031 -0.6300 -0.6098 -0.5278 -0.5238 0.3342 0.3487 0.6068 0.6328 0.6744 0.6787 0.7482 0.7784 1.1290 1.1578 1.5349 1.5417 2.8194 2.8212 3.4497 3.4566 5.0725 5.0955 5.2749 5.3054 5.6518 5.6880 6.0123 6.0198 k = 0.0000 0.7656 0.4331 ( 8078 PWs) bands (ev): -9.0841 -9.0839 -8.9425 -8.9423 -2.1947 -2.0815 -2.0012 -1.8945 -1.6994 -1.6278 -1.6017 -1.5963 -1.5534 -1.5143 -1.5017 -1.4981 -1.4539 -1.4367 -1.4231 -1.4130 -1.3728 -1.3632 -1.2020 -1.0724 -1.0172 -0.9994 -0.9934 -0.9668 -0.9280 -0.9174 -0.9070 -0.8842 -0.8539 -0.8430 -0.8220 -0.8117 -0.7469 -0.7339 -0.7206 -0.7031 -0.6300 -0.6098 -0.5278 -0.5238 0.3342 0.3487 0.6068 0.6328 0.6744 0.6787 0.7482 0.7784 1.1290 1.1578 1.5349 1.5417 2.8194 2.8212 3.4497 3.4566 5.0725 5.0955 5.2749 5.3054 5.6518 5.6880 6.0123 6.0198 k = 0.0000 0.7720 0.4150 ( 8084 PWs) bands (ev): -9.0853 -9.0851 -8.9408 -8.9406 -2.1931 -2.0897 -1.9999 -1.9034 -1.6929 -1.6275 -1.6025 -1.5971 -1.5509 -1.5148 -1.5008 -1.4938 -1.4524 -1.4378 -1.4231 -1.4130 -1.3718 -1.3620 -1.2016 -1.0798 -1.0158 -1.0020 -0.9946 -0.9675 -0.9239 -0.9155 -0.9050 -0.8851 -0.8524 -0.8390 -0.8204 -0.8127 -0.7460 -0.7351 -0.7214 -0.7059 -0.6322 -0.6165 -0.5277 -0.5246 0.3601 0.3768 0.6193 0.6437 0.6660 0.6713 0.7446 0.7751 1.1184 1.1480 1.5422 1.5482 2.7747 2.7761 3.4218 3.4278 5.0860 5.1062 5.3168 5.3429 5.6373 5.6750 6.0509 6.0582 k = 0.0000 0.7784 0.3970 ( 8074 PWs) bands (ev): -9.0863 -9.0861 -8.9392 -8.9390 -2.1904 -2.0986 -1.9978 -1.9127 -1.6859 -1.6282 -1.6031 -1.5979 -1.5480 -1.5160 -1.4999 -1.4899 -1.4507 -1.4389 -1.4229 -1.4130 -1.3699 -1.3606 -1.1999 -1.0884 -1.0155 -1.0052 -0.9935 -0.9684 -0.9202 -0.9138 -0.9031 -0.8863 -0.8505 -0.8348 -0.8205 -0.8120 -0.7450 -0.7370 -0.7223 -0.7083 -0.6342 -0.6227 -0.5276 -0.5252 0.3859 0.4043 0.6199 0.6368 0.6685 0.6834 0.7409 0.7708 1.1083 1.1377 1.5487 1.5538 2.7341 2.7352 3.3969 3.4020 5.0963 5.1134 5.3589 5.3801 5.6223 5.6619 6.0864 6.0938 k = 0.0000 0.7848 0.3789 ( 8070 PWs) bands (ev): -9.0872 -9.0870 -8.9379 -8.9377 -2.1867 -2.1080 -1.9947 -1.9223 -1.6788 -1.6297 -1.6034 -1.5987 -1.5449 -1.5175 -1.4990 -1.4874 -1.4491 -1.4399 -1.4224 -1.4132 -1.3674 -1.3591 -1.1966 -1.0982 -1.0159 -1.0083 -0.9914 -0.9695 -0.9169 -0.9124 -0.9012 -0.8878 -0.8483 -0.8304 -0.8221 -0.8101 -0.7441 -0.7394 -0.7232 -0.7108 -0.6359 -0.6281 -0.5275 -0.5257 0.4110 0.4304 0.6111 0.6243 0.6807 0.6994 0.7376 0.7655 1.0991 1.1271 1.5544 1.5586 2.6983 2.6991 3.3754 3.3797 5.1040 5.1181 5.3996 5.4159 5.6078 5.6491 6.1176 6.1251 k = 0.0000 0.7912 0.3609 ( 8072 PWs) bands (ev): -9.0880 -9.0878 -8.9367 -8.9366 -2.1820 -2.1176 -1.9908 -1.9318 -1.6719 -1.6320 -1.6035 -1.5995 -1.5415 -1.5193 -1.4979 -1.4865 -1.4476 -1.4408 -1.4216 -1.4136 -1.3647 -1.3577 -1.1916 -1.1089 -1.0166 -1.0110 -0.9888 -0.9708 -0.9141 -0.9113 -0.8996 -0.8894 -0.8459 -0.8265 -0.8237 -0.8080 -0.7435 -0.7418 -0.7238 -0.7135 -0.6375 -0.6324 -0.5275 -0.5261 0.4350 0.4546 0.6000 0.6115 0.6945 0.7137 0.7356 0.7599 1.0914 1.1165 1.5591 1.5625 2.6680 2.6686 3.3575 3.3609 5.1098 5.1209 5.4368 5.4502 5.5940 5.6366 6.1418 6.1491 k = 0.0000 0.7975 0.3429 ( 8067 PWs) bands (ev): -9.0886 -9.0885 -8.9358 -8.9357 -2.1763 -2.1272 -1.9860 -1.9411 -1.6651 -1.6349 -1.6034 -1.6003 -1.5381 -1.5212 -1.4965 -1.4868 -1.4463 -1.4417 -1.4205 -1.4141 -1.3619 -1.3566 -1.1848 -1.1203 -1.0172 -1.0132 -0.9861 -0.9723 -0.9119 -0.9103 -0.8981 -0.8908 -0.8433 -0.8274 -0.8208 -0.8065 -0.7445 -0.7428 -0.7242 -0.7162 -0.6388 -0.6356 -0.5274 -0.5264 0.4572 0.4757 0.5890 0.5995 0.7061 0.7241 0.7358 0.7547 1.0856 1.1064 1.5630 1.5655 2.6437 2.6442 3.3434 3.3460 5.1141 5.1224 5.4682 5.4832 5.5811 5.6239 6.1509 6.1529 k = 0.0000 0.8039 0.3248 ( 8060 PWs) bands (ev): -9.0890 -9.0889 -8.9352 -8.9351 -2.1698 -2.1366 -1.9803 -1.9501 -1.6588 -1.6385 -1.6032 -1.6010 -1.5347 -1.5234 -1.4950 -1.4879 -1.4453 -1.4424 -1.4192 -1.4148 -1.3595 -1.3559 -1.1764 -1.1321 -1.0175 -1.0149 -0.9833 -0.9741 -0.9104 -0.9096 -0.8968 -0.8922 -0.8407 -0.8299 -0.8165 -0.8061 -0.7456 -0.7432 -0.7241 -0.7188 -0.6397 -0.6378 -0.5273 -0.5267 0.4769 0.4924 0.5793 0.5884 0.7140 0.7286 0.7393 0.7515 1.0824 1.0973 1.5659 1.5676 2.6261 2.6264 3.3334 3.3352 5.1173 5.1228 5.4936 5.5130 5.5698 5.6102 6.1400 6.1477 k = 0.0000 0.8103 0.3068 ( 8064 PWs) bands (ev): -9.0893 -9.0892 -8.9347 -8.9347 -2.1625 -2.1458 -1.9738 -1.9586 -1.6529 -1.6428 -1.6028 -1.6017 -1.5315 -1.5258 -1.4932 -1.4895 -1.4445 -1.4431 -1.4179 -1.4157 -1.3576 -1.3558 -1.1666 -1.1440 -1.0175 -1.0162 -0.9808 -0.9761 -0.9095 -0.9091 -0.8957 -0.8934 -0.8380 -0.8326 -0.8125 -0.8070 -0.7458 -0.7440 -0.7237 -0.7210 -0.6401 -0.6392 -0.5272 -0.5269 0.4927 0.5022 0.5731 0.5789 0.7192 0.7273 0.7444 0.7503 1.0820 1.0898 1.5678 1.5686 2.6153 2.6155 3.3275 3.3284 5.1197 5.1225 5.5139 5.5324 5.5648 5.5946 6.1330 6.1384 k = 0.0000 0.8167 0.2887 ( 8076 PWs) bands (ev): -9.0893 -9.0893 -8.9346 -8.9346 -2.1544 -2.1544 -1.9666 -1.9666 -1.6476 -1.6476 -1.6023 -1.6023 -1.5286 -1.5286 -1.4914 -1.4914 -1.4438 -1.4438 -1.4168 -1.4168 -1.3564 -1.3564 -1.1557 -1.1557 -1.0171 -1.0171 -0.9784 -0.9784 -0.9091 -0.9091 -0.8946 -0.8946 -0.8353 -0.8353 -0.8092 -0.8092 -0.7451 -0.7451 -0.7226 -0.7226 -0.6400 -0.6400 -0.5271 -0.5271 0.5022 0.5022 0.5729 0.5729 0.7235 0.7235 0.7484 0.7484 1.0845 1.0845 1.5687 1.5687 2.6118 2.6118 3.3259 3.3259 5.1214 5.1214 5.5290 5.5290 5.5772 5.5772 6.1326 6.1326 k = 0.0000 0.8167 0.2887 ( 8076 PWs) bands (ev): -9.0893 -9.0893 -8.9346 -8.9346 -2.1544 -2.1544 -1.9666 -1.9666 -1.6476 -1.6476 -1.6023 -1.6023 -1.5286 -1.5286 -1.4914 -1.4914 -1.4438 -1.4438 -1.4168 -1.4168 -1.3564 -1.3564 -1.1557 -1.1557 -1.0171 -1.0171 -0.9784 -0.9784 -0.9091 -0.9091 -0.8946 -0.8946 -0.8353 -0.8353 -0.8092 -0.8092 -0.7451 -0.7451 -0.7226 -0.7226 -0.6400 -0.6400 -0.5271 -0.5271 0.5022 0.5022 0.5729 0.5729 0.7235 0.7235 0.7484 0.7484 1.0845 1.0845 1.5687 1.5687 2.6118 2.6118 3.3259 3.3259 5.1214 5.1214 5.5290 5.5290 5.5772 5.5772 6.1326 6.1326 k = 0.0217 0.8167 0.2887 ( 8064 PWs) bands (ev): -9.0891 -9.0891 -8.9348 -8.9348 -2.1537 -2.1537 -1.9661 -1.9660 -1.6484 -1.6479 -1.6018 -1.6016 -1.5288 -1.5284 -1.4913 -1.4912 -1.4441 -1.4435 -1.4170 -1.4162 -1.3568 -1.3567 -1.1573 -1.1554 -1.0171 -1.0169 -0.9789 -0.9772 -0.9094 -0.9088 -0.8946 -0.8944 -0.8356 -0.8354 -0.8100 -0.8087 -0.7452 -0.7448 -0.7229 -0.7228 -0.6407 -0.6404 -0.5282 -0.5275 0.5021 0.5024 0.5735 0.5745 0.7228 0.7235 0.7473 0.7478 1.0824 1.0827 1.5677 1.5680 2.6159 2.6160 3.3302 3.3304 5.1171 5.1210 5.5274 5.5317 5.5735 5.5753 6.1315 6.1325 k = 0.0435 0.8167 0.2887 ( 8066 PWs) bands (ev): -9.0886 -9.0886 -8.9353 -8.9353 -2.1517 -2.1517 -1.9645 -1.9644 -1.6503 -1.6493 -1.6003 -1.5998 -1.5291 -1.5285 -1.4909 -1.4908 -1.4445 -1.4432 -1.4169 -1.4154 -1.3580 -1.3578 -1.1602 -1.1565 -1.0171 -1.0166 -0.9790 -0.9756 -0.9100 -0.9088 -0.8947 -0.8942 -0.8363 -0.8359 -0.8108 -0.8084 -0.7451 -0.7442 -0.7235 -0.7234 -0.6426 -0.6422 -0.5307 -0.5294 0.5020 0.5028 0.5761 0.5780 0.7213 0.7228 0.7446 0.7458 1.0762 1.0769 1.5651 1.5657 2.6280 2.6283 3.3434 3.3436 5.1085 5.1158 5.5271 5.5336 5.5662 5.5677 6.1292 6.1312 k = 0.0652 0.8167 0.2887 ( 8070 PWs) bands (ev): -9.0876 -9.0876 -8.9361 -8.9361 -2.1483 -2.1483 -1.9619 -1.9618 -1.6531 -1.6518 -1.5977 -1.5971 -1.5295 -1.5286 -1.4903 -1.4901 -1.4450 -1.4429 -1.4166 -1.4143 -1.3598 -1.3596 -1.1643 -1.1588 -1.0169 -1.0162 -0.9787 -0.9735 -0.9110 -0.9089 -0.8947 -0.8938 -0.8373 -0.8367 -0.8119 -0.8083 -0.7449 -0.7435 -0.7245 -0.7243 -0.6458 -0.6451 -0.5347 -0.5327 0.5021 0.5033 0.5803 0.5835 0.7186 0.7213 0.7406 0.7430 1.0664 1.0674 1.5608 1.5617 2.6482 2.6485 3.3650 3.3654 5.0961 5.1065 5.5273 5.5283 5.5553 5.5613 6.1261 6.1286 k = 0.0870 0.8167 0.2887 ( 8060 PWs) bands (ev): -9.0863 -9.0863 -8.9373 -8.9373 -2.1436 -2.1435 -1.9582 -1.9580 -1.6567 -1.6552 -1.5944 -1.5936 -1.5300 -1.5287 -1.4895 -1.4893 -1.4455 -1.4427 -1.4160 -1.4130 -1.3623 -1.3621 -1.1694 -1.1624 -1.0165 -1.0156 -0.9780 -0.9713 -0.9123 -0.9094 -0.8946 -0.8932 -0.8386 -0.8378 -0.8129 -0.8083 -0.7445 -0.7427 -0.7260 -0.7255 -0.6502 -0.6491 -0.5400 -0.5374 0.5023 0.5040 0.5860 0.5906 0.7143 0.7185 0.7363 0.7405 1.0533 1.0545 1.5549 1.5561 2.6761 2.6764 3.3946 3.3951 5.0808 5.0936 5.5113 5.5223 5.5437 5.5634 6.1224 6.1247 k = 0.1087 0.8167 0.2887 ( 8064 PWs) bands (ev): -9.0847 -9.0847 -8.9388 -8.9388 -2.1376 -2.1375 -1.9536 -1.9533 -1.6610 -1.6593 -1.5905 -1.5896 -1.5304 -1.5288 -1.4886 -1.4884 -1.4462 -1.4424 -1.4151 -1.4115 -1.3652 -1.3652 -1.1756 -1.1671 -1.0159 -1.0148 -0.9771 -0.9690 -0.9140 -0.9104 -0.8943 -0.8924 -0.8400 -0.8391 -0.8141 -0.8085 -0.7440 -0.7416 -0.7279 -0.7269 -0.6557 -0.6541 -0.5464 -0.5433 0.5026 0.5048 0.5925 0.5987 0.7078 0.7136 0.7329 0.7393 1.0373 1.0387 1.5474 1.5488 2.7112 2.7117 3.4316 3.4323 5.0635 5.0782 5.4866 5.5032 5.5421 5.5686 6.1182 6.1192 k = 0.1304 0.8167 0.2887 ( 8070 PWs) bands (ev): -9.0826 -9.0826 -8.9407 -8.9407 -2.1304 -2.1303 -1.9480 -1.9475 -1.6659 -1.6641 -1.5861 -1.5852 -1.5307 -1.5287 -1.4877 -1.4875 -1.4470 -1.4423 -1.4141 -1.4098 -1.3686 -1.3684 -1.1827 -1.1728 -1.0151 -1.0138 -0.9762 -0.9670 -0.9160 -0.9121 -0.8938 -0.8914 -0.8415 -0.8406 -0.8151 -0.8088 -0.7435 -0.7406 -0.7303 -0.7286 -0.6624 -0.6602 -0.5539 -0.5503 0.5032 0.5059 0.5991 0.6074 0.6994 0.7062 0.7318 0.7402 1.0191 1.0205 1.5382 1.5398 2.7533 2.7538 3.4752 3.4760 5.0451 5.0611 5.4573 5.4762 5.5445 5.5740 6.1112 6.1134 k = 0.1522 0.8167 0.2887 ( 8070 PWs) bands (ev): -9.0803 -9.0803 -8.9428 -8.9428 -2.1221 -2.1220 -1.9414 -1.9408 -1.6713 -1.6696 -1.5816 -1.5806 -1.5308 -1.5284 -1.4868 -1.4865 -1.4481 -1.4422 -1.4128 -1.4081 -1.3721 -1.3715 -1.1905 -1.1794 -1.0142 -1.0126 -0.9756 -0.9654 -0.9181 -0.9143 -0.8931 -0.8904 -0.8430 -0.8422 -0.8160 -0.8090 -0.7432 -0.7398 -0.7327 -0.7303 -0.6702 -0.6670 -0.5621 -0.5581 0.5039 0.5073 0.6052 0.6156 0.6894 0.6968 0.7333 0.7437 0.9993 1.0006 1.5274 1.5292 2.8018 2.8024 3.5245 3.5255 5.0262 5.0431 5.4249 5.4451 5.5474 5.5785 6.0996 6.1078 k = 0.1739 0.8167 0.2887 ( 8064 PWs) bands (ev): -9.0776 -9.0776 -8.9453 -8.9453 -2.1126 -2.1125 -1.9340 -1.9332 -1.6772 -1.6755 -1.5771 -1.5761 -1.5305 -1.5277 -1.4860 -1.4856 -1.4493 -1.4422 -1.4115 -1.4065 -1.3755 -1.3742 -1.1990 -1.1867 -1.0129 -1.0111 -0.9752 -0.9647 -0.9200 -0.9170 -0.8923 -0.8894 -0.8446 -0.8437 -0.8167 -0.8092 -0.7434 -0.7408 -0.7340 -0.7318 -0.6788 -0.6744 -0.5708 -0.5666 0.5049 0.5089 0.6100 0.6225 0.6783 0.6862 0.7376 0.7500 0.9787 0.9796 1.5150 1.5169 2.8562 2.8568 3.5785 3.5797 5.0075 5.0250 5.3902 5.4114 5.5496 5.5816 6.0834 6.1009 k = 0.1957 0.8167 0.2887 ( 8074 PWs) bands (ev): -9.0746 -9.0746 -8.9481 -8.9481 -2.1022 -2.1021 -1.9258 -1.9247 -1.6834 -1.6820 -1.5730 -1.5721 -1.5298 -1.5266 -1.4854 -1.4849 -1.4508 -1.4425 -1.4102 -1.4053 -1.3784 -1.3761 -1.2082 -1.1948 -1.0115 -1.0093 -0.9754 -0.9651 -0.9215 -0.9200 -0.8916 -0.8888 -0.8462 -0.8453 -0.8169 -0.8094 -0.7447 -0.7446 -0.7334 -0.7330 -0.6880 -0.6822 -0.5798 -0.5755 0.5062 0.5107 0.6131 0.6274 0.6667 0.6750 0.7445 0.7591 0.9583 0.9585 1.5010 1.5030 2.9160 2.9166 3.6363 3.6376 4.9896 5.0074 5.3543 5.3761 5.5508 5.5828 6.0626 6.0907 k = 0.2174 0.8167 0.2887 ( 8068 PWs) bands (ev): -9.0713 -9.0712 -8.9512 -8.9512 -2.0908 -2.0907 -1.9169 -1.9156 -1.6899 -1.6887 -1.5697 -1.5689 -1.5283 -1.5247 -1.4850 -1.4843 -1.4525 -1.4432 -1.4090 -1.4047 -1.3802 -1.3767 -1.2178 -1.2034 -1.0099 -1.0072 -0.9761 -0.9667 -0.9230 -0.9223 -0.8910 -0.8884 -0.8480 -0.8468 -0.8166 -0.8092 -0.7505 -0.7472 -0.7336 -0.7319 -0.6973 -0.6899 -0.5890 -0.5847 0.5076 0.5127 0.6143 0.6300 0.6548 0.6636 0.7535 0.7703 0.9383 0.9393 1.4854 1.4875 2.9805 2.9812 3.6965 3.6981 4.9728 4.9908 5.3176 5.3399 5.5507 5.5820 6.0380 6.0717 k = 0.2391 0.8167 0.2887 ( 8084 PWs) bands (ev): -9.0677 -9.0677 -8.9545 -8.9545 -2.0786 -2.0786 -1.9076 -1.9059 -1.6965 -1.6957 -1.5675 -1.5670 -1.5262 -1.5222 -1.4850 -1.4841 -1.4543 -1.4442 -1.4079 -1.4046 -1.3809 -1.3759 -1.2279 -1.2126 -1.0082 -1.0049 -0.9775 -0.9695 -0.9258 -0.9224 -0.8906 -0.8883 -0.8501 -0.8485 -0.8156 -0.8088 -0.7578 -0.7517 -0.7344 -0.7302 -0.7056 -0.6970 -0.5980 -0.5939 0.5094 0.5149 0.6139 0.6304 0.6431 0.6522 0.7628 0.7819 0.9208 0.9235 1.4682 1.4704 3.0494 3.0500 3.7579 3.7597 4.9576 4.9757 5.2808 5.3033 5.5490 5.5791 6.0105 6.0442 k = 0.2609 0.8167 0.2887 ( 8082 PWs) bands (ev): -9.0638 -9.0638 -8.9581 -8.9581 -2.0657 -2.0657 -1.8981 -1.8960 -1.7029 -1.7026 -1.5668 -1.5667 -1.5232 -1.5191 -1.4853 -1.4840 -1.4559 -1.4456 -1.4067 -1.4050 -1.3802 -1.3738 -1.2383 -1.2221 -1.0064 -1.0023 -0.9793 -0.9731 -0.9282 -0.9219 -0.8903 -0.8886 -0.8527 -0.8504 -0.8140 -0.8079 -0.7667 -0.7584 -0.7361 -0.7289 -0.7114 -0.7031 -0.6069 -0.6030 0.5114 0.5173 0.6120 0.6292 0.6320 0.6411 0.7696 0.7907 0.9091 0.9137 1.4495 1.4517 3.1219 3.1225 3.8190 3.8210 4.9442 4.9622 5.2445 5.2670 5.5458 5.5739 5.9807 6.0134 k = 0.2826 0.8167 0.2887 ( 8090 PWs) bands (ev): -9.0597 -9.0597 -8.9620 -8.9619 -2.0523 -2.0522 -1.8888 -1.8861 -1.7090 -1.7089 -1.5681 -1.5676 -1.5198 -1.5156 -1.4860 -1.4843 -1.4570 -1.4471 -1.4054 -1.4053 -1.3785 -1.3706 -1.2490 -1.2319 -1.0047 -0.9994 -0.9812 -0.9772 -0.9302 -0.9210 -0.8902 -0.8892 -0.8557 -0.8527 -0.8120 -0.8065 -0.7769 -0.7676 -0.7393 -0.7284 -0.7138 -0.7075 -0.6155 -0.6119 0.5136 0.5197 0.6086 0.6223 0.6261 0.6313 0.7708 0.7927 0.9071 0.9126 1.4294 1.4316 3.1975 3.1982 3.8781 3.8803 4.9327 4.9507 5.2089 5.2314 5.5408 5.5666 5.9491 5.9806 k = 0.3043 0.8167 0.2887 ( 8104 PWs) bands (ev): -9.0554 -9.0554 -8.9660 -8.9660 -2.0382 -2.0381 -1.8800 -1.8769 -1.7146 -1.7141 -1.5713 -1.5702 -1.5163 -1.5121 -1.4870 -1.4847 -1.4574 -1.4482 -1.4056 -1.4038 -1.3758 -1.3668 -1.2599 -1.2419 -1.0034 -0.9963 -0.9827 -0.9812 -0.9319 -0.9200 -0.8903 -0.8900 -0.8593 -0.8555 -0.8101 -0.8048 -0.7876 -0.7790 -0.7431 -0.7295 -0.7136 -0.7094 -0.6237 -0.6204 0.5160 0.5222 0.6025 0.6158 0.6183 0.6264 0.7650 0.7859 0.9165 0.9212 1.4078 1.4100 3.2756 3.2763 3.9335 3.9359 4.9234 4.9414 5.1744 5.1968 5.5346 5.5577 5.9160 5.9464 k = 0.3261 0.8167 0.2887 ( 8108 PWs) bands (ev): -9.0508 -9.0508 -8.9703 -8.9703 -2.0238 -2.0237 -1.8726 -1.8691 -1.7187 -1.7178 -1.5762 -1.5744 -1.5129 -1.5091 -1.4881 -1.4852 -1.4567 -1.4486 -1.4057 -1.4021 -1.3725 -1.3625 -1.2708 -1.2520 -1.0027 -0.9930 -0.9848 -0.9833 -0.9332 -0.9191 -0.8908 -0.8904 -0.8633 -0.8588 -0.8108 -0.8028 -0.7959 -0.7916 -0.7469 -0.7322 -0.7119 -0.7089 -0.6316 -0.6285 0.5187 0.5245 0.5942 0.6086 0.6128 0.6240 0.7539 0.7729 0.9346 0.9379 1.3848 1.3870 3.3556 3.3563 3.9829 3.9854 4.9163 4.9343 5.1414 5.1635 5.5275 5.5480 5.8818 5.9111 k = 0.3478 0.8167 0.2887 ( 8106 PWs) bands (ev): -9.0461 -9.0461 -8.9748 -8.9748 -2.0091 -2.0089 -1.8672 -1.8635 -1.7206 -1.7195 -1.5828 -1.5803 -1.5100 -1.5067 -1.4891 -1.4857 -1.4548 -1.4480 -1.4058 -1.4005 -1.3688 -1.3578 -1.2816 -1.2620 -1.0025 -0.9900 -0.9874 -0.9828 -0.9344 -0.9185 -0.8914 -0.8905 -0.8676 -0.8626 -0.8187 -0.8066 -0.7986 -0.7969 -0.7506 -0.7359 -0.7093 -0.7069 -0.6389 -0.6363 0.5216 0.5268 0.5853 0.5992 0.6119 0.6224 0.7399 0.7570 0.9580 0.9599 1.3606 1.3627 3.4367 3.4374 4.0241 4.0268 4.9114 4.9295 5.1099 5.1319 5.5209 5.5388 5.8466 5.8750 k = 0.3696 0.8167 0.2887 ( 8114 PWs) bands (ev): -9.0412 -9.0412 -8.9795 -8.9795 -1.9942 -1.9940 -1.8646 -1.8609 -1.7194 -1.7185 -1.5910 -1.5879 -1.5077 -1.5048 -1.4902 -1.4863 -1.4517 -1.4461 -1.4060 -1.3994 -1.3648 -1.3530 -1.2920 -1.2718 -1.0025 -0.9902 -0.9859 -0.9816 -0.9353 -0.9182 -0.8918 -0.8908 -0.8723 -0.8669 -0.8300 -0.8193 -0.7962 -0.7940 -0.7542 -0.7401 -0.7061 -0.7040 -0.6460 -0.6435 0.5247 0.5288 0.5769 0.5902 0.6127 0.6219 0.7247 0.7400 0.9845 0.9854 1.3352 1.3373 3.5182 3.5189 4.0549 4.0576 4.9088 4.9272 5.0803 5.1021 5.5163 5.5322 5.8109 5.8381 k = 0.3913 0.8167 0.2887 ( 8110 PWs) bands (ev): -9.0362 -9.0362 -8.9843 -8.9843 -1.9791 -1.9790 -1.8652 -1.8617 -1.7149 -1.7144 -1.6006 -1.5970 -1.5059 -1.5032 -1.4913 -1.4872 -1.4476 -1.4429 -1.4066 -1.3990 -1.3606 -1.3479 -1.3019 -1.2813 -1.0020 -0.9910 -0.9830 -0.9803 -0.9357 -0.9182 -0.8921 -0.8916 -0.8769 -0.8714 -0.8411 -0.8317 -0.7931 -0.7901 -0.7577 -0.7445 -0.7026 -0.7006 -0.6526 -0.6504 0.5279 0.5306 0.5690 0.5818 0.6152 0.6225 0.7096 0.7232 1.0129 1.0131 1.3086 1.3107 3.5991 3.6000 4.0732 4.0759 4.9086 4.9274 5.0527 5.0742 5.5156 5.5302 5.7747 5.8008 k = 0.4130 0.8167 0.2887 ( 8106 PWs) bands (ev): -9.0311 -9.0311 -8.9893 -8.9893 -1.9641 -1.9640 -1.8690 -1.8660 -1.7075 -1.7073 -1.6114 -1.6074 -1.5044 -1.5017 -1.4925 -1.4883 -1.4427 -1.4385 -1.4078 -1.3998 -1.3563 -1.3427 -1.3109 -1.2903 -1.0008 -0.9907 -0.9806 -0.9795 -0.9354 -0.9182 -0.8941 -0.8929 -0.8802 -0.8754 -0.8510 -0.8428 -0.7897 -0.7858 -0.7612 -0.7490 -0.6987 -0.6968 -0.6588 -0.6568 0.5314 0.5324 0.5619 0.5740 0.6194 0.6246 0.6950 0.7069 1.0421 1.0425 1.2811 1.2831 3.6786 3.6795 4.0775 4.0800 4.9109 4.9303 5.0271 5.0485 5.5203 5.5344 5.7385 5.7633 k = 0.4348 0.8167 0.2887 ( 8108 PWs) bands (ev): -9.0259 -9.0259 -8.9944 -8.9944 -1.9492 -1.9491 -1.8756 -1.8733 -1.6981 -1.6971 -1.6232 -1.6191 -1.5030 -1.5001 -1.4938 -1.4897 -1.4373 -1.4333 -1.4099 -1.4019 -1.3519 -1.3374 -1.3191 -1.2987 -0.9986 -0.9893 -0.9798 -0.9790 -0.9338 -0.9179 -0.8992 -0.8954 -0.8811 -0.8776 -0.8593 -0.8523 -0.7862 -0.7814 -0.7647 -0.7536 -0.6946 -0.6927 -0.6647 -0.6629 0.5342 0.5351 0.5557 0.5667 0.6253 0.6281 0.6814 0.6915 1.0720 1.0728 1.2527 1.2545 3.7553 3.7563 4.0670 4.0693 4.9159 4.9358 5.0036 5.0250 5.5316 5.5459 5.7025 5.7258 k = 0.4565 0.8167 0.2887 ( 8100 PWs) bands (ev): -9.0206 -9.0206 -8.9996 -8.9995 -1.9348 -1.9345 -1.8846 -1.8828 -1.6869 -1.6851 -1.6356 -1.6317 -1.5015 -1.4985 -1.4953 -1.4914 -1.4318 -1.4275 -1.4128 -1.4053 -1.3474 -1.3319 -1.3262 -1.3064 -0.9956 -0.9870 -0.9815 -0.9786 -0.9306 -0.9166 -0.9061 -0.8999 -0.8802 -0.8772 -0.8659 -0.8600 -0.7826 -0.7768 -0.7683 -0.7582 -0.6902 -0.6884 -0.6703 -0.6686 0.5363 0.5392 0.5503 0.5601 0.6328 0.6332 0.6689 0.6773 1.1024 1.1035 1.2235 1.2253 3.8280 3.8291 4.0421 4.0442 4.9237 4.9441 4.9825 5.0039 5.5494 5.5645 5.6672 5.6888 k = 0.4783 0.8167 0.2887 ( 8122 PWs) bands (ev): -9.0154 -9.0154 -9.0048 -9.0048 -1.9209 -1.9203 -1.8955 -1.8942 -1.6746 -1.6721 -1.6486 -1.6449 -1.5000 -1.4969 -1.4968 -1.4932 -1.4264 -1.4214 -1.4166 -1.4099 -1.3428 -1.3324 -1.3262 -1.3136 -0.9920 -0.9844 -0.9843 -0.9796 -0.9260 -0.9142 -0.9133 -0.9053 -0.8782 -0.8749 -0.8711 -0.8662 -0.7791 -0.7722 -0.7719 -0.7628 -0.6856 -0.6839 -0.6757 -0.6740 0.5388 0.5436 0.5457 0.5540 0.6399 0.6418 0.6578 0.6641 1.1330 1.1343 1.1937 1.1953 3.8949 3.8962 4.0040 4.0057 4.9343 4.9552 4.9638 4.9851 5.5730 5.5895 5.6332 5.6531 k = 0.5000 0.8167 0.2887 ( 8120 PWs) bands (ev): -9.0101 -9.0101 -9.0101 -9.0101 -1.9077 -1.9077 -1.9068 -1.9068 -1.6617 -1.6617 -1.6585 -1.6585 -1.4985 -1.4985 -1.4950 -1.4950 -1.4212 -1.4212 -1.4154 -1.4154 -1.3378 -1.3378 -1.3201 -1.3201 -0.9881 -0.9881 -0.9817 -0.9817 -0.9201 -0.9201 -0.9103 -0.9103 -0.8752 -0.8752 -0.8711 -0.8711 -0.7755 -0.7755 -0.7675 -0.7675 -0.6808 -0.6808 -0.6791 -0.6791 0.5419 0.5419 0.5485 0.5485 0.6481 0.6481 0.6523 0.6523 1.1635 1.1635 1.1649 1.1649 3.9542 3.9542 3.9557 3.9557 4.9477 4.9477 4.9688 4.9688 5.6014 5.6014 5.6195 5.6195 k = 0.5000 0.8167 0.2887 ( 8120 PWs) bands (ev): -9.0101 -9.0101 -9.0101 -9.0101 -1.9077 -1.9077 -1.9068 -1.9068 -1.6617 -1.6617 -1.6585 -1.6585 -1.4985 -1.4985 -1.4950 -1.4950 -1.4212 -1.4212 -1.4154 -1.4154 -1.3378 -1.3378 -1.3201 -1.3201 -0.9881 -0.9881 -0.9817 -0.9817 -0.9201 -0.9201 -0.9103 -0.9103 -0.8752 -0.8752 -0.8711 -0.8711 -0.7755 -0.7755 -0.7675 -0.7675 -0.6808 -0.6808 -0.6791 -0.6791 0.5419 0.5419 0.5485 0.5485 0.6481 0.6481 0.6523 0.6523 1.1635 1.1635 1.1649 1.1649 3.9542 3.9542 3.9557 3.9557 4.9477 4.9477 4.9688 4.9688 5.6014 5.6014 5.6195 5.6195 k = 0.5000 0.8230 0.2707 ( 8120 PWs) bands (ev): -9.0101 -9.0101 -9.0101 -9.0101 -1.9088 -1.9088 -1.9071 -1.9071 -1.6621 -1.6621 -1.6568 -1.6568 -1.4988 -1.4988 -1.4945 -1.4945 -1.4211 -1.4211 -1.4153 -1.4153 -1.3378 -1.3378 -1.3200 -1.3200 -0.9881 -0.9881 -0.9816 -0.9816 -0.9223 -0.9223 -0.9085 -0.9085 -0.8763 -0.8763 -0.8705 -0.8705 -0.7759 -0.7759 -0.7669 -0.7669 -0.6811 -0.6811 -0.6788 -0.6788 0.5381 0.5381 0.5471 0.5471 0.6495 0.6495 0.6574 0.6574 1.1637 1.1637 1.1654 1.1654 3.9536 3.9536 3.9561 3.9561 4.9429 4.9429 4.9642 4.9642 5.5974 5.5974 5.6169 5.6169 k = 0.5000 0.8294 0.2527 ( 8110 PWs) bands (ev): -9.0101 -9.0101 -9.0101 -9.0101 -1.9116 -1.9116 -1.9086 -1.9086 -1.6620 -1.6620 -1.6532 -1.6532 -1.4996 -1.4996 -1.4935 -1.4935 -1.4207 -1.4207 -1.4149 -1.4149 -1.3376 -1.3376 -1.3195 -1.3195 -0.9883 -0.9883 -0.9814 -0.9814 -0.9268 -0.9268 -0.9054 -0.9054 -0.8786 -0.8786 -0.8695 -0.8695 -0.7770 -0.7770 -0.7654 -0.7654 -0.6818 -0.6818 -0.6783 -0.6783 0.5295 0.5295 0.5418 0.5418 0.6563 0.6563 0.6686 0.6686 1.1645 1.1645 1.1666 1.1666 3.9523 3.9523 3.9567 3.9567 4.9289 4.9289 4.9505 4.9505 5.5866 5.5866 5.6090 5.6090 k = 0.5000 0.8358 0.2346 ( 8116 PWs) bands (ev): -9.0102 -9.0102 -9.0102 -9.0102 -1.9157 -1.9157 -1.9116 -1.9116 -1.6608 -1.6608 -1.6484 -1.6484 -1.5005 -1.5005 -1.4923 -1.4923 -1.4200 -1.4200 -1.4142 -1.4142 -1.3374 -1.3374 -1.3189 -1.3189 -0.9887 -0.9887 -0.9810 -0.9810 -0.9319 -0.9319 -0.9028 -0.9028 -0.8812 -0.8812 -0.8689 -0.8689 -0.7782 -0.7782 -0.7635 -0.7635 -0.6826 -0.6826 -0.6778 -0.6778 0.5186 0.5186 0.5331 0.5331 0.6679 0.6679 0.6831 0.6831 1.1660 1.1660 1.1685 1.1685 3.9507 3.9507 3.9569 3.9569 4.9065 4.9065 4.9288 4.9288 5.5711 5.5711 5.5967 5.5967 k = 0.5000 0.8422 0.2166 ( 8112 PWs) bands (ev): -9.0103 -9.0103 -9.0103 -9.0103 -1.9208 -1.9208 -1.9157 -1.9157 -1.6584 -1.6584 -1.6426 -1.6426 -1.5013 -1.5013 -1.4911 -1.4911 -1.4192 -1.4192 -1.4134 -1.4134 -1.3369 -1.3369 -1.3179 -1.3179 -0.9892 -0.9892 -0.9807 -0.9807 -0.9372 -0.9372 -0.9016 -0.9016 -0.8832 -0.8832 -0.8687 -0.8687 -0.7793 -0.7793 -0.7615 -0.7615 -0.6834 -0.6834 -0.6775 -0.6775 0.5068 0.5068 0.5223 0.5223 0.6829 0.6829 0.6996 0.6996 1.1680 1.1680 1.1710 1.1710 3.9487 3.9487 3.9568 3.9568 4.8770 4.8770 4.9004 4.9004 5.5530 5.5530 5.5811 5.5811 k = 0.5000 0.8486 0.1985 ( 8112 PWs) bands (ev): -9.0104 -9.0104 -9.0104 -9.0104 -1.9268 -1.9268 -1.9210 -1.9210 -1.6549 -1.6549 -1.6362 -1.6362 -1.5020 -1.5020 -1.4898 -1.4898 -1.4182 -1.4182 -1.4125 -1.4125 -1.3363 -1.3363 -1.3167 -1.3167 -0.9900 -0.9900 -0.9804 -0.9804 -0.9425 -0.9425 -0.9027 -0.9027 -0.8837 -0.8837 -0.8689 -0.8689 -0.7801 -0.7801 -0.7595 -0.7595 -0.6842 -0.6842 -0.6772 -0.6772 0.4949 0.4949 0.5107 0.5107 0.6998 0.6998 0.7174 0.7174 1.1706 1.1706 1.1742 1.1742 3.9460 3.9460 3.9559 3.9559 4.8422 4.8422 4.8669 4.8669 5.5335 5.5335 5.5636 5.5636 k = 0.5000 0.8549 0.1805 ( 8106 PWs) bands (ev): -9.0106 -9.0106 -9.0105 -9.0105 -1.9335 -1.9335 -1.9272 -1.9272 -1.6505 -1.6505 -1.6292 -1.6292 -1.5026 -1.5026 -1.4887 -1.4887 -1.4171 -1.4171 -1.4114 -1.4114 -1.3355 -1.3355 -1.3154 -1.3154 -0.9912 -0.9912 -0.9803 -0.9803 -0.9474 -0.9474 -0.9058 -0.9058 -0.8830 -0.8830 -0.8695 -0.8695 -0.7806 -0.7806 -0.7577 -0.7577 -0.6850 -0.6850 -0.6770 -0.6770 0.4831 0.4831 0.4989 0.4989 0.7180 0.7180 0.7358 0.7358 1.1737 1.1737 1.1780 1.1780 3.9426 3.9426 3.9541 3.9541 4.8038 4.8038 4.8302 4.8302 5.5134 5.5134 5.5452 5.5452 k = 0.5000 0.8613 0.1625 ( 8106 PWs) bands (ev): -9.0107 -9.0107 -9.0107 -9.0107 -1.9406 -1.9406 -1.9340 -1.9340 -1.6453 -1.6453 -1.6218 -1.6218 -1.5032 -1.5032 -1.4876 -1.4876 -1.4160 -1.4160 -1.4104 -1.4104 -1.3344 -1.3344 -1.3139 -1.3139 -0.9929 -0.9929 -0.9803 -0.9803 -0.9517 -0.9517 -0.9101 -0.9101 -0.8816 -0.8816 -0.8703 -0.8703 -0.7809 -0.7809 -0.7560 -0.7560 -0.6858 -0.6858 -0.6770 -0.6770 0.4717 0.4717 0.4871 0.4871 0.7368 0.7368 0.7546 0.7546 1.1774 1.1774 1.1822 1.1822 3.9382 3.9382 3.9510 3.9510 4.7636 4.7636 4.7919 4.7919 5.4932 5.4932 5.5263 5.5263 k = 0.5000 0.8677 0.1444 ( 8086 PWs) bands (ev): -9.0109 -9.0109 -9.0109 -9.0109 -1.9480 -1.9480 -1.9413 -1.9413 -1.6394 -1.6394 -1.6142 -1.6142 -1.5037 -1.5037 -1.4866 -1.4866 -1.4150 -1.4150 -1.4094 -1.4094 -1.3330 -1.3330 -1.3122 -1.3122 -0.9954 -0.9954 -0.9808 -0.9808 -0.9552 -0.9552 -0.9150 -0.9150 -0.8800 -0.8800 -0.8713 -0.8713 -0.7807 -0.7807 -0.7545 -0.7545 -0.6865 -0.6865 -0.6771 -0.6771 0.4609 0.4609 0.4757 0.4757 0.7560 0.7560 0.7735 0.7735 1.1815 1.1815 1.1869 1.1869 3.9323 3.9323 3.9463 3.9463 4.7234 4.7234 4.7537 4.7537 5.4732 5.4732 5.5076 5.5076 k = 0.5000 0.8677 0.1444 ( 8086 PWs) bands (ev): -9.0109 -9.0109 -9.0109 -9.0109 -1.9480 -1.9480 -1.9413 -1.9413 -1.6394 -1.6394 -1.6142 -1.6142 -1.5037 -1.5037 -1.4866 -1.4866 -1.4150 -1.4150 -1.4094 -1.4094 -1.3330 -1.3330 -1.3122 -1.3122 -0.9954 -0.9954 -0.9808 -0.9808 -0.9552 -0.9552 -0.9150 -0.9150 -0.8800 -0.8800 -0.8713 -0.8713 -0.7807 -0.7807 -0.7545 -0.7545 -0.6865 -0.6865 -0.6771 -0.6771 0.4609 0.4609 0.4757 0.4757 0.7560 0.7560 0.7735 0.7735 1.1815 1.1815 1.1869 1.1869 3.9323 3.9323 3.9463 3.9463 4.7234 4.7234 4.7537 4.7537 5.4732 5.4732 5.5076 5.5076 k = 0.5000 0.8640 0.1238 ( 8096 PWs) bands (ev): -9.0108 -9.0108 -9.0107 -9.0107 -1.9550 -1.9550 -1.9484 -1.9484 -1.6334 -1.6334 -1.6068 -1.6068 -1.5042 -1.5042 -1.4858 -1.4858 -1.4142 -1.4142 -1.4087 -1.4087 -1.3317 -1.3317 -1.3108 -1.3108 -0.9986 -0.9986 -0.9821 -0.9821 -0.9578 -0.9578 -0.9197 -0.9197 -0.8788 -0.8788 -0.8724 -0.8724 -0.7803 -0.7803 -0.7531 -0.7531 -0.6868 -0.6868 -0.6770 -0.6770 0.4559 0.4559 0.4709 0.4709 0.7721 0.7721 0.7893 0.7893 1.1852 1.1852 1.1910 1.1910 3.9219 3.9219 3.9376 3.9376 4.6961 4.6961 4.7291 4.7291 5.4469 5.4469 5.4809 5.4809 k = 0.5000 0.8604 0.1032 ( 8106 PWs) bands (ev): -9.0106 -9.0106 -9.0106 -9.0106 -1.9620 -1.9620 -1.9556 -1.9556 -1.6269 -1.6269 -1.5993 -1.5993 -1.5047 -1.5047 -1.4851 -1.4851 -1.4137 -1.4137 -1.4081 -1.4081 -1.3301 -1.3301 -1.3093 -1.3093 -1.0024 -1.0024 -0.9841 -0.9841 -0.9595 -0.9595 -0.9242 -0.9242 -0.8780 -0.8780 -0.8734 -0.8734 -0.7796 -0.7796 -0.7521 -0.7521 -0.6868 -0.6868 -0.6771 -0.6771 0.4514 0.4514 0.4662 0.4662 0.7880 0.7880 0.8049 0.8049 1.1896 1.1896 1.1959 1.1959 3.9087 3.9087 3.9258 3.9258 4.6743 4.6743 4.7097 4.7097 5.4161 5.4161 5.4499 5.4499 k = 0.5000 0.8568 0.0825 ( 8108 PWs) bands (ev): -9.0105 -9.0105 -9.0104 -9.0104 -1.9689 -1.9689 -1.9627 -1.9627 -1.6202 -1.6202 -1.5919 -1.5919 -1.5052 -1.5052 -1.4847 -1.4847 -1.4133 -1.4133 -1.4077 -1.4077 -1.3283 -1.3283 -1.3079 -1.3079 -1.0066 -1.0066 -0.9870 -0.9870 -0.9603 -0.9603 -0.9282 -0.9282 -0.8778 -0.8778 -0.8739 -0.8739 -0.7787 -0.7787 -0.7513 -0.7513 -0.6868 -0.6868 -0.6771 -0.6771 0.4472 0.4472 0.4617 0.4617 0.8036 0.8036 0.8199 0.8199 1.1944 1.1944 1.2013 1.2013 3.8930 3.8930 3.9109 3.9109 4.6585 4.6585 4.6958 4.6958 5.3816 5.3816 5.4153 5.4153 k = 0.5000 0.8531 0.0619 ( 8110 PWs) bands (ev): -9.0103 -9.0103 -9.0103 -9.0103 -1.9754 -1.9754 -1.9695 -1.9695 -1.6134 -1.6134 -1.5847 -1.5847 -1.5057 -1.5057 -1.4844 -1.4844 -1.4131 -1.4131 -1.4076 -1.4076 -1.3262 -1.3262 -1.3065 -1.3065 -1.0109 -1.0109 -0.9907 -0.9907 -0.9605 -0.9605 -0.9317 -0.9317 -0.8782 -0.8782 -0.8738 -0.8738 -0.7775 -0.7775 -0.7509 -0.7509 -0.6867 -0.6867 -0.6773 -0.6773 0.4434 0.4434 0.4575 0.4575 0.8186 0.8186 0.8342 0.8342 1.1996 1.1996 1.2070 1.2070 3.8756 3.8756 3.8936 3.8936 4.6487 4.6487 4.6873 4.6873 5.3444 5.3444 5.3781 5.3781 k = 0.5000 0.8495 0.0413 ( 8104 PWs) bands (ev): -9.0102 -9.0102 -9.0102 -9.0102 -1.9816 -1.9816 -1.9761 -1.9761 -1.6064 -1.6064 -1.5777 -1.5777 -1.5062 -1.5062 -1.4844 -1.4844 -1.4131 -1.4131 -1.4076 -1.4076 -1.3239 -1.3239 -1.3052 -1.3052 -1.0152 -1.0152 -0.9950 -0.9950 -0.9601 -0.9601 -0.9347 -0.9347 -0.8789 -0.8789 -0.8734 -0.8734 -0.7762 -0.7762 -0.7508 -0.7508 -0.6864 -0.6864 -0.6775 -0.6775 0.4400 0.4400 0.4534 0.4534 0.8330 0.8330 0.8477 0.8477 1.2050 1.2050 1.2130 1.2130 3.8569 3.8569 3.8746 3.8746 4.6446 4.6446 4.6839 4.6839 5.3054 5.3054 5.3390 5.3390 k = 0.5000 0.8458 0.0207 ( 8108 PWs) bands (ev): -9.0101 -9.0101 -9.0100 -9.0100 -1.9873 -1.9873 -1.9822 -1.9822 -1.5994 -1.5994 -1.5711 -1.5711 -1.5066 -1.5066 -1.4847 -1.4847 -1.4134 -1.4134 -1.4079 -1.4079 -1.3215 -1.3215 -1.3041 -1.3041 -1.0193 -1.0193 -0.9997 -0.9997 -0.9595 -0.9595 -0.9372 -0.9372 -0.8796 -0.8796 -0.8731 -0.8731 -0.7747 -0.7747 -0.7510 -0.7510 -0.6861 -0.6861 -0.6778 -0.6778 0.4370 0.4370 0.4497 0.4497 0.8465 0.8465 0.8603 0.8603 1.2104 1.2104 1.2189 1.2189 3.8378 3.8378 3.8546 3.8546 4.6457 4.6457 4.6851 4.6851 5.2655 5.2655 5.2989 5.2989 k = 0.5000 0.8422 0.0000 ( 8112 PWs) bands (ev): -9.0099 -9.0099 -9.0099 -9.0099 -1.9924 -1.9924 -1.9877 -1.9877 -1.5925 -1.5925 -1.5651 -1.5651 -1.5070 -1.5070 -1.4852 -1.4852 -1.4137 -1.4137 -1.4085 -1.4085 -1.3190 -1.3190 -1.3032 -1.3032 -1.0230 -1.0230 -1.0046 -1.0046 -0.9587 -0.9587 -0.9394 -0.9394 -0.8800 -0.8800 -0.8729 -0.8729 -0.7731 -0.7731 -0.7514 -0.7514 -0.6857 -0.6857 -0.6782 -0.6782 0.4343 0.4343 0.4462 0.4462 0.8589 0.8589 0.8717 0.8717 1.2157 1.2157 1.2247 1.2247 3.8191 3.8191 3.8346 3.8346 4.6515 4.6515 4.6903 4.6903 5.2256 5.2256 5.2586 5.2586 k = 0.5000 0.8385-0.0206 ( 8116 PWs) bands (ev): -9.0099 -9.0099 -9.0098 -9.0098 -1.9970 -1.9970 -1.9927 -1.9927 -1.5857 -1.5857 -1.5597 -1.5597 -1.5072 -1.5072 -1.4861 -1.4861 -1.4142 -1.4142 -1.4092 -1.4092 -1.3166 -1.3166 -1.3025 -1.3025 -1.0262 -1.0262 -1.0096 -1.0096 -0.9578 -0.9578 -0.9412 -0.9412 -0.8803 -0.8803 -0.8729 -0.8729 -0.7713 -0.7713 -0.7521 -0.7521 -0.6853 -0.6853 -0.6786 -0.6786 0.4321 0.4321 0.4430 0.4430 0.8702 0.8702 0.8819 0.8819 1.2207 1.2207 1.2300 1.2300 3.8015 3.8015 3.8152 3.8152 4.6613 4.6613 4.6987 4.6987 5.1868 5.1868 5.2189 5.2189 k = 0.5000 0.8349-0.0412 ( 8120 PWs) bands (ev): -9.0098 -9.0098 -9.0098 -9.0098 -2.0010 -2.0010 -1.9971 -1.9971 -1.5792 -1.5792 -1.5553 -1.5553 -1.5071 -1.5071 -1.4874 -1.4874 -1.4146 -1.4146 -1.4101 -1.4101 -1.3141 -1.3141 -1.3020 -1.3020 -1.0289 -1.0289 -1.0143 -1.0143 -0.9570 -0.9570 -0.9428 -0.9428 -0.8802 -0.8802 -0.8730 -0.8730 -0.7695 -0.7695 -0.7531 -0.7531 -0.6848 -0.6848 -0.6791 -0.6791 0.4303 0.4303 0.4402 0.4402 0.8802 0.8802 0.8906 0.8906 1.2253 1.2253 1.2349 1.2349 3.7856 3.7856 3.7974 3.7974 4.6742 4.6742 4.7094 4.7094 5.1501 5.1501 5.1807 5.1807 k = 0.5000 0.8312-0.0618 ( 8128 PWs) bands (ev): -9.0097 -9.0097 -9.0097 -9.0097 -2.0042 -2.0042 -2.0007 -2.0007 -1.5731 -1.5731 -1.5521 -1.5521 -1.5065 -1.5065 -1.4889 -1.4889 -1.4150 -1.4150 -1.4110 -1.4110 -1.3118 -1.3118 -1.3019 -1.3019 -1.0308 -1.0308 -1.0186 -1.0186 -0.9561 -0.9561 -0.9442 -0.9442 -0.8800 -0.8800 -0.8733 -0.8733 -0.7677 -0.7677 -0.7542 -0.7542 -0.6843 -0.6843 -0.6796 -0.6796 0.4288 0.4288 0.4378 0.4378 0.8886 0.8886 0.8979 0.8979 1.2292 1.2292 1.2391 1.2391 3.7720 3.7720 3.7817 3.7817 4.6892 4.6892 4.7210 4.7210 5.1169 5.1169 5.1450 5.1450 k = 0.5000 0.8276-0.0824 ( 8134 PWs) bands (ev): -9.0097 -9.0097 -9.0096 -9.0096 -2.0068 -2.0068 -2.0036 -2.0036 -1.5674 -1.5674 -1.5504 -1.5504 -1.5054 -1.5054 -1.4909 -1.4909 -1.4152 -1.4152 -1.4120 -1.4120 -1.3097 -1.3097 -1.3021 -1.3021 -1.0320 -1.0320 -1.0225 -1.0225 -0.9554 -0.9554 -0.9454 -0.9454 -0.8795 -0.8795 -0.8736 -0.8736 -0.7658 -0.7658 -0.7555 -0.7555 -0.6838 -0.6838 -0.6801 -0.6801 0.4278 0.4278 0.4359 0.4359 0.8955 0.8955 0.9035 0.9035 1.2324 1.2324 1.2424 1.2424 3.7612 3.7612 3.7686 3.7686 4.7051 4.7051 4.7319 4.7319 5.0890 5.0890 5.1132 5.1132 k = 0.5000 0.8240-0.1031 ( 8130 PWs) bands (ev): -9.0096 -9.0096 -9.0096 -9.0096 -2.0087 -2.0087 -2.0057 -2.0057 -1.5624 -1.5624 -1.5500 -1.5500 -1.5036 -1.5036 -1.4931 -1.4931 -1.4152 -1.4152 -1.4129 -1.4129 -1.3078 -1.3078 -1.3025 -1.3025 -1.0325 -1.0325 -1.0257 -1.0257 -0.9547 -0.9547 -0.9463 -0.9463 -0.8790 -0.8790 -0.8740 -0.8740 -0.7640 -0.7640 -0.7570 -0.7570 -0.6833 -0.6833 -0.6806 -0.6806 0.4271 0.4271 0.4344 0.4344 0.9005 0.9005 0.9076 0.9076 1.2347 1.2347 1.2449 1.2449 3.7536 3.7536 3.7587 3.7587 4.7205 4.7205 4.7403 4.7403 5.0682 5.0682 5.0866 5.0866 k = 0.5000 0.8203-0.1237 ( 8134 PWs) bands (ev): -9.0096 -9.0096 -9.0096 -9.0096 -2.0098 -2.0098 -2.0070 -2.0070 -1.5582 -1.5582 -1.5510 -1.5510 -1.5014 -1.5014 -1.4955 -1.4955 -1.4150 -1.4150 -1.4138 -1.4138 -1.3061 -1.3061 -1.3033 -1.3033 -1.0324 -1.0324 -1.0280 -1.0280 -0.9543 -0.9543 -0.9469 -0.9469 -0.8786 -0.8786 -0.8744 -0.8744 -0.7622 -0.7622 -0.7585 -0.7585 -0.6829 -0.6829 -0.6810 -0.6810 0.4267 0.4267 0.4335 0.4335 0.9036 0.9036 0.9100 0.9100 1.2362 1.2362 1.2465 1.2465 3.7494 3.7494 3.7521 3.7521 4.7333 4.7333 4.7440 4.7440 5.0566 5.0566 5.0676 5.0676 k = 0.5000 0.8167-0.1443 ( 8136 PWs) bands (ev): -9.0096 -9.0096 -9.0096 -9.0096 -2.0101 -2.0101 -2.0074 -2.0074 -1.5560 -1.5560 -1.5522 -1.5522 -1.4998 -1.4998 -1.4972 -1.4972 -1.4147 -1.4147 -1.4142 -1.4142 -1.3052 -1.3052 -1.3039 -1.3039 -1.0321 -1.0321 -1.0291 -1.0291 -0.9541 -0.9541 -0.9471 -0.9471 -0.8784 -0.8784 -0.8746 -0.8746 -0.7608 -0.7608 -0.7598 -0.7598 -0.6827 -0.6827 -0.6812 -0.6812 0.4266 0.4266 0.4332 0.4332 0.9046 0.9046 0.9107 0.9107 1.2367 1.2367 1.2470 1.2470 3.7483 3.7483 3.7496 3.7496 4.7413 4.7413 4.7419 4.7419 5.0540 5.0540 5.0594 5.0594 k = 0.5000 0.8167-0.1443 ( 8136 PWs) bands (ev): -9.0096 -9.0096 -9.0096 -9.0096 -2.0101 -2.0101 -2.0074 -2.0074 -1.5560 -1.5560 -1.5522 -1.5522 -1.4998 -1.4998 -1.4972 -1.4972 -1.4147 -1.4147 -1.4142 -1.4142 -1.3052 -1.3052 -1.3039 -1.3039 -1.0321 -1.0321 -1.0291 -1.0291 -0.9541 -0.9541 -0.9471 -0.9471 -0.8784 -0.8784 -0.8746 -0.8746 -0.7608 -0.7608 -0.7598 -0.7598 -0.6827 -0.6827 -0.6812 -0.6812 0.4266 0.4266 0.4332 0.4332 0.9046 0.9046 0.9107 0.9107 1.2367 1.2367 1.2470 1.2470 3.7483 3.7483 3.7496 3.7496 4.7413 4.7413 4.7419 4.7419 5.0540 5.0540 5.0594 5.0594 k = 0.4783 0.8167-0.1443 ( 8136 PWs) bands (ev): -9.0134 -9.0134 -9.0058 -9.0058 -2.0183 -2.0159 -2.0019 -1.9990 -1.5619 -1.5577 -1.5509 -1.5474 -1.5033 -1.5012 -1.4970 -1.4942 -1.4229 -1.4228 -1.4067 -1.4058 -1.3133 -1.3126 -1.2959 -1.2941 -1.0328 -1.0308 -1.0306 -1.0265 -0.9569 -0.9511 -0.9495 -0.9444 -0.8843 -0.8800 -0.8728 -0.8694 -0.7654 -0.7649 -0.7559 -0.7543 -0.6856 -0.6835 -0.6788 -0.6782 0.4181 0.4249 0.4342 0.4407 0.8923 0.8991 0.9172 0.9227 1.2233 1.2338 1.2494 1.2596 3.7334 3.7345 3.7648 3.7661 4.7298 4.7298 4.7490 4.7506 5.0507 5.0559 5.0594 5.0652 k = 0.4565 0.8167-0.1443 ( 8126 PWs) bands (ev): -9.0172 -9.0172 -9.0021 -9.0021 -2.0264 -2.0241 -1.9938 -1.9907 -1.5687 -1.5640 -1.5466 -1.5433 -1.5076 -1.5061 -1.4950 -1.4921 -1.4309 -1.4302 -1.3995 -1.3981 -1.3206 -1.3202 -1.2854 -1.2831 -1.0325 -1.0314 -1.0283 -1.0233 -0.9593 -0.9517 -0.9478 -0.9415 -0.8902 -0.8855 -0.8673 -0.8646 -0.7696 -0.7695 -0.7506 -0.7486 -0.6876 -0.6849 -0.6742 -0.6741 0.4094 0.4163 0.4403 0.4467 0.8812 0.8886 0.9294 0.9340 1.2095 1.2200 1.2616 1.2715 3.7197 3.7207 3.7830 3.7844 4.7143 4.7145 4.7531 4.7559 5.0492 5.0546 5.0670 5.0734 k = 0.4348 0.8167-0.1443 ( 8128 PWs) bands (ev): -9.0210 -9.0209 -8.9985 -8.9985 -2.0343 -2.0322 -1.9859 -1.9825 -1.5765 -1.5712 -1.5432 -1.5401 -1.5123 -1.5112 -1.4937 -1.4909 -1.4377 -1.4365 -1.3937 -1.3919 -1.3271 -1.3271 -1.2738 -1.2709 -1.0313 -1.0310 -1.0254 -1.0197 -0.9616 -0.9535 -0.9442 -0.9383 -0.8960 -0.8910 -0.8622 -0.8600 -0.7737 -0.7732 -0.7452 -0.7429 -0.6886 -0.6855 -0.6694 -0.6685 0.4008 0.4080 0.4441 0.4504 0.8722 0.8801 0.9405 0.9443 1.1952 1.2058 1.2731 1.2827 3.7069 3.7077 3.8029 3.8042 4.6957 4.6960 4.7539 4.7582 5.0495 5.0554 5.0771 5.0841 k = 0.4130 0.8167-0.1443 ( 8124 PWs) bands (ev): -9.0247 -9.0247 -8.9949 -8.9949 -2.0420 -2.0401 -1.9784 -1.9748 -1.5853 -1.5796 -1.5410 -1.5383 -1.5167 -1.5159 -1.4929 -1.4904 -1.4432 -1.4413 -1.3895 -1.3872 -1.3334 -1.3330 -1.2613 -1.2578 -1.0294 -1.0293 -1.0219 -1.0157 -0.9638 -0.9553 -0.9404 -0.9350 -0.9014 -0.8963 -0.8572 -0.8557 -0.7773 -0.7762 -0.7398 -0.7372 -0.6886 -0.6854 -0.6637 -0.6622 0.3928 0.4002 0.4450 0.4512 0.8663 0.8747 0.9500 0.9529 1.1806 1.1913 1.2839 1.2931 3.6945 3.6952 3.8243 3.8256 4.6746 4.6747 4.7520 4.7579 5.0516 5.0583 5.0898 5.0973 k = 0.3913 0.8167-0.1443 ( 8114 PWs) bands (ev): -9.0284 -9.0284 -8.9914 -8.9914 -2.0493 -2.0476 -1.9712 -1.9674 -1.5950 -1.5890 -1.5404 -1.5384 -1.5200 -1.5187 -1.4926 -1.4905 -1.4472 -1.4448 -1.3870 -1.3841 -1.3390 -1.3384 -1.2482 -1.2443 -1.0267 -1.0265 -1.0176 -1.0117 -0.9659 -0.9569 -0.9364 -0.9316 -0.9061 -0.9010 -0.8523 -0.8516 -0.7802 -0.7787 -0.7345 -0.7316 -0.6873 -0.6845 -0.6572 -0.6553 0.3855 0.3932 0.4422 0.4483 0.8641 0.8730 0.9577 0.9596 1.1659 1.1766 1.2939 1.3028 3.6820 3.6825 3.8469 3.8481 4.6518 4.6521 4.7482 4.7559 5.0555 5.0631 5.1053 5.1131 k = 0.3696 0.8167-0.1443 ( 8116 PWs) bands (ev): -9.0321 -9.0321 -8.9881 -8.9881 -2.0563 -2.0547 -1.9646 -1.9606 -1.6054 -1.5993 -1.5418 -1.5406 -1.5219 -1.5195 -1.4926 -1.4910 -1.4501 -1.4473 -1.3860 -1.3827 -1.3442 -1.3433 -1.2350 -1.2308 -1.0242 -1.0227 -1.0123 -1.0076 -0.9679 -0.9585 -0.9325 -0.9283 -0.9098 -0.9050 -0.8477 -0.8474 -0.7826 -0.7807 -0.7295 -0.7261 -0.6847 -0.6828 -0.6499 -0.6479 0.3792 0.3873 0.4355 0.4414 0.8660 0.8753 0.9634 0.9641 1.1512 1.1619 1.3032 1.3117 3.6688 3.6692 3.8702 3.8712 4.6284 4.6291 4.7436 4.7529 5.0612 5.0698 5.1235 5.1316 k = 0.3478 0.8167-0.1443 ( 8118 PWs) bands (ev): -9.0356 -9.0356 -8.9848 -8.9848 -2.0629 -2.0615 -1.9586 -1.9545 -1.6160 -1.6101 -1.5445 -1.5439 -1.5226 -1.5193 -1.4928 -1.4917 -1.4521 -1.4489 -1.3864 -1.3826 -1.3489 -1.3476 -1.2220 -1.2175 -1.0221 -1.0180 -1.0061 -1.0036 -0.9700 -0.9602 -0.9287 -0.9256 -0.9119 -0.9080 -0.8437 -0.8426 -0.7845 -0.7821 -0.7250 -0.7209 -0.6806 -0.6802 -0.6421 -0.6401 0.3737 0.3824 0.4251 0.4307 0.8716 0.8814 0.9667 0.9671 1.1368 1.1475 1.3118 1.3198 3.6544 3.6546 3.8934 3.8942 4.6059 4.6072 4.7390 4.7499 5.0686 5.0782 5.1444 5.1526 k = 0.3261 0.8167-0.1443 ( 8116 PWs) bands (ev): -9.0391 -9.0391 -8.9817 -8.9817 -2.0692 -2.0679 -1.9533 -1.9490 -1.6266 -1.6208 -1.5478 -1.5473 -1.5231 -1.5190 -1.4930 -1.4925 -1.4534 -1.4501 -1.3878 -1.3839 -1.3530 -1.3514 -1.2095 -1.2048 -1.0204 -1.0129 -0.9996 -0.9990 -0.9720 -0.9619 -0.9252 -0.9238 -0.9120 -0.9097 -0.8397 -0.8378 -0.7857 -0.7830 -0.7211 -0.7159 -0.6766 -0.6749 -0.6339 -0.6321 0.3689 0.3787 0.4118 0.4166 0.8800 0.8903 0.9677 0.9692 1.1230 1.1337 1.3196 1.3271 3.6381 3.6382 3.9155 3.9161 4.5859 4.5878 4.7357 4.7480 5.0777 5.0881 5.1678 5.1759 k = 0.3043 0.8167-0.1443 ( 8110 PWs) bands (ev): -9.0424 -9.0424 -8.9788 -8.9787 -2.0751 -2.0740 -1.9485 -1.9443 -1.6367 -1.6312 -1.5511 -1.5506 -1.5238 -1.5191 -1.4933 -1.4932 -1.4543 -1.4509 -1.3901 -1.3861 -1.3565 -1.3544 -1.1976 -1.1929 -1.0194 -1.0083 -0.9952 -0.9915 -0.9738 -0.9634 -0.9229 -0.9225 -0.9101 -0.9099 -0.8357 -0.8331 -0.7863 -0.7833 -0.7177 -0.7114 -0.6718 -0.6675 -0.6254 -0.6239 0.3636 0.3757 0.3973 0.4002 0.8895 0.8999 0.9683 0.9706 1.1104 1.1211 1.3266 1.3336 3.6196 3.6197 3.9354 3.9356 4.5702 4.5727 4.7347 4.7481 5.0883 5.0993 5.1934 5.2014 k = 0.2826 0.8167-0.1443 ( 8104 PWs) bands (ev): -9.0456 -9.0456 -8.9760 -8.9760 -2.0808 -2.0798 -1.9444 -1.9402 -1.6460 -1.6409 -1.5543 -1.5536 -1.5251 -1.5201 -1.4936 -1.4936 -1.4549 -1.4518 -1.3931 -1.3893 -1.3595 -1.3569 -1.1865 -1.1819 -1.0188 -1.0048 -0.9904 -0.9843 -0.9748 -0.9644 -0.9224 -0.9206 -0.9085 -0.9070 -0.8316 -0.8286 -0.7861 -0.7831 -0.7149 -0.7074 -0.6656 -0.6587 -0.6167 -0.6158 0.3549 0.3697 0.3856 0.3858 0.8973 0.9070 0.9702 0.9724 1.0997 1.1105 1.3328 1.3393 3.5986 3.5989 3.9515 3.9516 4.5605 4.5635 4.7368 4.7512 5.1002 5.1115 5.2210 5.2286 k = 0.2609 0.8167-0.1443 ( 8100 PWs) bands (ev): -9.0487 -9.0486 -8.9733 -8.9733 -2.0861 -2.0852 -1.9408 -1.9367 -1.6544 -1.6497 -1.5572 -1.5563 -1.5268 -1.5218 -1.4940 -1.4939 -1.4555 -1.4526 -1.3965 -1.3930 -1.3619 -1.3588 -1.1762 -1.1718 -1.0187 -1.0030 -0.9858 -0.9782 -0.9744 -0.9643 -0.9218 -0.9192 -0.9059 -0.9033 -0.8277 -0.8247 -0.7850 -0.7822 -0.7124 -0.7040 -0.6580 -0.6487 -0.6080 -0.6076 0.3395 0.3533 0.3805 0.3819 0.9007 0.9084 0.9751 0.9760 1.0923 1.1030 1.3383 1.3443 3.5752 3.5755 3.9628 3.9632 4.5581 4.5615 4.7427 4.7579 5.1131 5.1247 5.2501 5.2573 k = 0.2391 0.8167-0.1443 ( 8092 PWs) bands (ev): -9.0515 -9.0515 -8.9709 -8.9709 -2.0912 -2.0904 -1.9377 -1.9337 -1.6617 -1.6575 -1.5599 -1.5586 -1.5290 -1.5242 -1.4943 -1.4943 -1.4560 -1.4536 -1.4001 -1.3970 -1.3637 -1.3602 -1.1667 -1.1627 -1.0189 -1.0026 -0.9826 -0.9744 -0.9715 -0.9619 -0.9209 -0.9180 -0.9025 -0.8992 -0.8241 -0.8215 -0.7828 -0.7805 -0.7104 -0.7014 -0.6492 -0.6379 -0.5994 -0.5992 0.3197 0.3320 0.3805 0.3834 0.8980 0.9032 0.9805 0.9811 1.0904 1.1006 1.3432 1.3486 3.5495 3.5499 3.9688 3.9695 4.5637 4.5675 4.7527 4.7684 5.1270 5.1386 5.2804 5.2870 k = 0.2174 0.8167-0.1443 ( 8088 PWs) bands (ev): -9.0542 -9.0542 -8.9686 -8.9686 -2.0960 -2.0953 -1.9350 -1.9312 -1.6680 -1.6643 -1.5624 -1.5607 -1.5316 -1.5271 -1.4949 -1.4946 -1.4565 -1.4547 -1.4037 -1.4012 -1.3651 -1.3612 -1.1580 -1.1545 -1.0194 -1.0034 -0.9808 -0.9728 -0.9668 -0.9580 -0.9198 -0.9168 -0.8986 -0.8948 -0.8212 -0.8193 -0.7795 -0.7779 -0.7087 -0.6995 -0.6395 -0.6267 -0.5912 -0.5904 0.2984 0.3097 0.3834 0.3871 0.8901 0.8930 0.9833 0.9845 1.0958 1.1048 1.3473 1.3522 3.5220 3.5223 3.9696 3.9705 4.5774 4.5812 4.7667 4.7829 5.1415 5.1528 5.3113 5.3172 k = 0.1957 0.8167-0.1443 ( 8096 PWs) bands (ev): -9.0567 -9.0567 -8.9665 -8.9665 -2.1006 -2.0999 -1.9326 -1.9291 -1.6733 -1.6700 -1.5646 -1.5625 -1.5344 -1.5305 -1.4956 -1.4951 -1.4571 -1.4560 -1.4074 -1.4054 -1.3659 -1.3620 -1.1503 -1.1473 -1.0200 -1.0049 -0.9793 -0.9719 -0.9619 -0.9541 -0.9183 -0.9157 -0.8942 -0.8900 -0.8190 -0.8181 -0.7751 -0.7744 -0.7073 -0.6982 -0.6293 -0.6159 -0.5827 -0.5816 0.2768 0.2874 0.3884 0.3925 0.8782 0.8795 0.9825 0.9834 1.1086 1.1158 1.3509 1.3552 3.4932 3.4936 3.9659 3.9668 4.5981 4.6018 4.7846 4.8009 5.1565 5.1674 5.3422 5.3474 k = 0.1739 0.8167-0.1443 ( 8098 PWs) bands (ev): -9.0589 -9.0589 -8.9647 -8.9647 -2.1048 -2.1042 -1.9304 -1.9272 -1.6776 -1.6748 -1.5665 -1.5641 -1.5373 -1.5341 -1.4964 -1.4957 -1.4578 -1.4572 -1.4109 -1.4094 -1.3664 -1.3625 -1.1434 -1.1409 -1.0207 -1.0067 -0.9777 -0.9710 -0.9575 -0.9511 -0.9167 -0.9147 -0.8893 -0.8849 -0.8177 -0.8176 -0.7700 -0.7700 -0.7062 -0.6976 -0.6192 -0.6058 -0.5738 -0.5727 0.2558 0.2657 0.3949 0.3992 0.8637 0.8638 0.9785 0.9787 1.1264 1.1319 1.3539 1.3576 3.4640 3.4644 3.9587 3.9596 4.6244 4.6278 4.8057 4.8218 5.1717 5.1821 5.3725 5.3768 k = 0.1522 0.8167-0.1443 ( 8096 PWs) bands (ev): -9.0609 -9.0609 -8.9630 -8.9630 -2.1088 -2.1083 -1.9284 -1.9255 -1.6811 -1.6787 -1.5681 -1.5654 -1.5403 -1.5379 -1.4973 -1.4965 -1.4585 -1.4585 -1.4143 -1.4132 -1.3665 -1.3629 -1.1374 -1.1354 -1.0214 -1.0087 -0.9761 -0.9700 -0.9539 -0.9490 -0.9151 -0.9137 -0.8839 -0.8796 -0.8179 -0.8171 -0.7649 -0.7643 -0.7056 -0.6976 -0.6095 -0.5971 -0.5645 -0.5637 0.2361 0.2452 0.4028 0.4070 0.8468 0.8476 0.9723 0.9726 1.1465 1.1507 1.3564 1.3596 3.4352 3.4356 3.9494 3.9502 4.6542 4.6572 4.8291 4.8448 5.1872 5.1967 5.4015 5.4048 k = 0.1304 0.8167-0.1443 ( 8098 PWs) bands (ev): -9.0627 -9.0627 -8.9616 -8.9616 -2.1123 -2.1119 -1.9265 -1.9240 -1.6838 -1.6819 -1.5695 -1.5664 -1.5433 -1.5417 -1.4983 -1.4973 -1.4596 -1.4593 -1.4173 -1.4166 -1.3664 -1.3631 -1.1323 -1.1308 -1.0219 -1.0108 -0.9743 -0.9688 -0.9511 -0.9479 -0.9136 -0.9129 -0.8784 -0.8742 -0.8187 -0.8172 -0.7593 -0.7585 -0.7053 -0.6981 -0.6009 -0.5900 -0.5549 -0.5548 0.2180 0.2263 0.4116 0.4157 0.8294 0.8307 0.9653 0.9660 1.1669 1.1701 1.3585 1.3612 3.4078 3.4081 3.9391 3.9398 4.6857 4.6882 4.8538 4.8686 5.2026 5.2111 5.4284 5.4309 k = 0.1087 0.8167-0.1443 ( 8092 PWs) bands (ev): -9.0642 -9.0642 -8.9603 -8.9603 -2.1155 -2.1151 -1.9248 -1.9226 -1.6858 -1.6843 -1.5705 -1.5673 -1.5461 -1.5452 -1.4992 -1.4983 -1.4606 -1.4600 -1.4200 -1.4195 -1.3661 -1.3632 -1.1280 -1.1270 -1.0222 -1.0127 -0.9725 -0.9676 -0.9492 -0.9474 -0.9122 -0.9121 -0.8729 -0.8689 -0.8198 -0.8179 -0.7535 -0.7526 -0.7055 -0.6992 -0.5933 -0.5844 -0.5462 -0.5456 0.2020 0.2093 0.4209 0.4247 0.8122 0.8138 0.9587 0.9595 1.1863 1.1887 1.3603 1.3625 3.3827 3.3829 3.9289 3.9294 4.7167 4.7186 4.8784 4.8919 5.2177 5.2250 5.4526 5.4542 k = 0.0870 0.8167-0.1443 ( 8100 PWs) bands (ev): -9.0655 -9.0655 -8.9593 -8.9593 -2.1181 -2.1178 -1.9232 -1.9215 -1.6873 -1.6862 -1.5711 -1.5680 -1.5487 -1.5485 -1.5000 -1.4992 -1.4613 -1.4607 -1.4223 -1.4221 -1.3657 -1.3634 -1.1246 -1.1239 -1.0224 -1.0146 -0.9708 -0.9664 -0.9480 -0.9473 -0.9113 -0.9112 -0.8677 -0.8640 -0.8211 -0.8191 -0.7479 -0.7471 -0.7061 -0.7008 -0.5871 -0.5801 -0.5382 -0.5372 0.1885 0.1946 0.4302 0.4336 0.7961 0.7978 0.9528 0.9536 1.2035 1.2052 1.3617 1.3635 3.3607 3.3609 3.9195 3.9200 4.7454 4.7468 4.9016 4.9133 5.2322 5.2381 5.4733 5.4742 k = 0.0652 0.8167-0.1443 ( 8098 PWs) bands (ev): -9.0664 -9.0664 -8.9585 -8.9585 -2.1203 -2.1200 -1.9219 -1.9206 -1.6884 -1.6876 -1.5714 -1.5686 -1.5512 -1.5509 -1.5007 -1.5001 -1.4619 -1.4613 -1.4241 -1.4240 -1.3653 -1.3635 -1.1220 -1.1215 -1.0222 -1.0163 -0.9690 -0.9655 -0.9474 -0.9474 -0.9107 -0.9104 -0.8629 -0.8598 -0.8225 -0.8205 -0.7426 -0.7421 -0.7069 -0.7027 -0.5822 -0.5771 -0.5312 -0.5301 0.1779 0.1826 0.4389 0.4417 0.7822 0.7837 0.9481 0.9487 1.2176 1.2189 1.3629 1.3642 3.3427 3.3429 3.9117 3.9120 4.7699 4.7708 4.9219 4.9312 5.2452 5.2496 5.4899 5.4903 k = 0.0435 0.8167-0.1443 ( 8102 PWs) bands (ev): -9.0671 -9.0671 -8.9580 -8.9580 -2.1218 -2.1217 -1.9209 -1.9200 -1.6890 -1.6885 -1.5714 -1.5692 -1.5532 -1.5528 -1.5013 -1.5008 -1.4623 -1.4618 -1.4254 -1.4254 -1.3649 -1.3637 -1.1202 -1.1199 -1.0219 -1.0179 -0.9674 -0.9649 -0.9476 -0.9473 -0.9102 -0.9098 -0.8589 -0.8566 -0.8236 -0.8220 -0.7382 -0.7379 -0.7078 -0.7049 -0.5785 -0.5752 -0.5258 -0.5249 0.1703 0.1735 0.4461 0.4481 0.7714 0.7725 0.9446 0.9451 1.2283 1.2291 1.3638 1.3646 3.3294 3.3295 3.9058 3.9060 4.7886 4.7892 4.9380 4.9445 5.2559 5.2588 5.5020 5.5021 k = 0.0217 0.8167-0.1443 ( 8090 PWs) bands (ev): -9.0676 -9.0676 -8.9576 -8.9576 -2.1227 -2.1226 -1.9201 -1.9197 -1.6893 -1.6891 -1.5710 -1.5698 -1.5543 -1.5540 -1.5015 -1.5013 -1.4624 -1.4622 -1.4262 -1.4262 -1.3645 -1.3639 -1.1190 -1.1189 -1.0212 -1.0192 -0.9661 -0.9647 -0.9476 -0.9474 -0.9098 -0.9096 -0.8560 -0.8547 -0.8243 -0.8233 -0.7351 -0.7350 -0.7084 -0.7068 -0.5760 -0.5743 -0.5223 -0.5218 0.1660 0.1677 0.4510 0.4521 0.7646 0.7652 0.9425 0.9428 1.2349 1.2353 1.3644 1.3648 3.3211 3.3212 3.9022 3.9023 4.8005 4.8007 4.9488 4.9522 5.2632 5.2646 5.5093 5.5094 k = 0.0000 0.8167-0.1443 ( 8092 PWs) bands (ev): -9.0677 -9.0677 -8.9575 -8.9575 -2.1230 -2.1230 -1.9198 -1.9198 -1.6894 -1.6894 -1.5705 -1.5705 -1.5546 -1.5546 -1.5015 -1.5015 -1.4624 -1.4624 -1.4265 -1.4265 -1.3642 -1.3642 -1.1186 -1.1186 -1.0204 -1.0204 -0.9652 -0.9652 -0.9475 -0.9475 -0.9096 -0.9096 -0.8546 -0.8546 -0.8242 -0.8242 -0.7340 -0.7340 -0.7081 -0.7081 -0.5746 -0.5746 -0.5209 -0.5209 0.1651 0.1651 0.4531 0.4531 0.7625 0.7625 0.9419 0.9419 1.2372 1.2372 1.3647 1.3647 3.3184 3.3184 3.9010 3.9010 4.8046 4.8046 4.9536 4.9536 5.2662 5.2662 5.5118 5.5118 k = 0.0000 0.8167-0.1443 ( 8092 PWs) bands (ev): -9.0677 -9.0677 -8.9575 -8.9575 -2.1230 -2.1230 -1.9198 -1.9198 -1.6894 -1.6894 -1.5705 -1.5705 -1.5546 -1.5546 -1.5015 -1.5015 -1.4624 -1.4624 -1.4265 -1.4265 -1.3642 -1.3642 -1.1186 -1.1186 -1.0204 -1.0204 -0.9652 -0.9652 -0.9475 -0.9475 -0.9096 -0.9096 -0.8546 -0.8546 -0.8242 -0.8242 -0.7340 -0.7340 -0.7081 -0.7081 -0.5746 -0.5746 -0.5209 -0.5209 0.1651 0.1651 0.4531 0.4531 0.7625 0.7625 0.9419 0.9419 1.2372 1.2372 1.3647 1.3647 3.3184 3.3184 3.9010 3.9010 4.8046 4.8046 4.9536 4.9536 5.2662 5.2662 5.5118 5.5118 k = 0.0000 0.8203-0.1237 ( 8088 PWs) bands (ev): -9.0679 -9.0678 -8.9574 -8.9574 -2.1324 -2.1135 -1.9303 -1.9093 -1.6936 -1.6851 -1.5721 -1.5693 -1.5578 -1.5519 -1.5034 -1.4991 -1.4660 -1.4585 -1.4273 -1.4255 -1.3655 -1.3629 -1.1278 -1.1096 -1.0231 -1.0172 -0.9667 -0.9639 -0.9494 -0.9455 -0.9100 -0.9090 -0.8567 -0.8522 -0.8273 -0.8211 -0.7344 -0.7336 -0.7122 -0.7040 -0.5784 -0.5715 -0.5221 -0.5195 0.1654 0.1667 0.4533 0.4551 0.7607 0.7632 0.9399 0.9404 1.2351 1.2376 1.3641 1.3696 3.3132 3.3151 3.8955 3.8977 4.8032 4.8082 4.9543 4.9602 5.2722 5.2744 5.5141 5.5156 k = 0.0000 0.8240-0.1031 ( 8095 PWs) bands (ev): -9.0683 -9.0682 -8.9571 -8.9570 -2.1415 -2.1040 -1.9406 -1.8993 -1.6979 -1.6809 -1.5740 -1.5686 -1.5615 -1.5498 -1.5047 -1.4963 -1.4693 -1.4546 -1.4279 -1.4244 -1.3669 -1.3619 -1.1369 -1.1008 -1.0254 -1.0135 -0.9684 -0.9630 -0.9510 -0.9433 -0.9104 -0.9082 -0.8586 -0.8498 -0.8303 -0.8182 -0.7351 -0.7334 -0.7160 -0.7001 -0.5828 -0.5693 -0.5231 -0.5181 0.1675 0.1701 0.4557 0.4592 0.7579 0.7630 0.9342 0.9354 1.2318 1.2357 1.3681 1.3780 3.2999 3.3034 3.8816 3.8859 4.8054 4.8139 4.9621 4.9723 5.2923 5.2961 5.5225 5.5256 k = 0.0000 0.8276-0.0824 ( 8092 PWs) bands (ev): -9.0689 -9.0688 -8.9565 -8.9564 -2.1502 -2.0948 -1.9507 -1.8900 -1.7021 -1.6766 -1.5762 -1.5691 -1.5645 -1.5482 -1.5055 -1.4938 -1.4718 -1.4508 -1.4282 -1.4233 -1.3682 -1.3612 -1.1459 -1.0923 -1.0273 -1.0096 -0.9701 -0.9625 -0.9521 -0.9411 -0.9108 -0.9070 -0.8601 -0.8475 -0.8332 -0.8153 -0.7362 -0.7333 -0.7192 -0.6965 -0.5876 -0.5680 -0.5239 -0.5167 0.1717 0.1752 0.4602 0.4655 0.7543 0.7616 0.9252 0.9274 1.2279 1.2317 1.3761 1.3891 3.2790 3.2839 3.8601 3.8660 4.8131 4.8233 4.9749 4.9873 5.3258 5.3305 5.5370 5.5415 k = 0.0000 0.8312-0.0618 ( 8085 PWs) bands (ev): -9.0697 -9.0696 -8.9557 -8.9555 -2.1584 -2.0861 -1.9602 -1.8816 -1.7062 -1.6720 -1.5787 -1.5724 -1.5651 -1.5468 -1.5058 -1.4921 -1.4729 -1.4471 -1.4282 -1.4222 -1.3693 -1.3608 -1.1546 -1.0842 -1.0290 -1.0054 -0.9716 -0.9626 -0.9527 -0.9389 -0.9114 -0.9055 -0.8610 -0.8456 -0.8357 -0.8128 -0.7377 -0.7331 -0.7216 -0.6935 -0.5927 -0.5675 -0.5245 -0.5155 0.1780 0.1819 0.4667 0.4739 0.7499 0.7592 0.9131 0.9169 1.2235 1.2263 1.3875 1.4021 3.2515 3.2574 3.8320 3.8389 4.8273 4.8376 4.9907 5.0032 5.3708 5.3758 5.5577 5.5635 k = 0.0000 0.8349-0.0412 ( 8081 PWs) bands (ev): -9.0708 -9.0706 -8.9547 -8.9545 -2.1659 -2.0782 -1.9690 -1.8747 -1.7099 -1.6672 -1.5812 -1.5766 -1.5648 -1.5455 -1.5059 -1.4919 -1.4724 -1.4438 -1.4279 -1.4212 -1.3702 -1.3609 -1.1628 -1.0766 -1.0304 -1.0013 -0.9730 -0.9632 -0.9529 -0.9367 -0.9122 -0.9034 -0.8614 -0.8447 -0.8371 -0.8106 -0.7397 -0.7330 -0.7231 -0.6911 -0.5978 -0.5680 -0.5250 -0.5147 0.1864 0.1904 0.4752 0.4842 0.7447 0.7556 0.8986 0.9044 1.2176 1.2210 1.4012 1.4164 3.2183 3.2249 3.7985 3.8061 4.8482 4.8574 5.0080 5.0194 5.4242 5.4300 5.5845 5.5913 k = 0.0000 0.8385-0.0206 ( 8079 PWs) bands (ev): -9.0720 -9.0718 -8.9536 -8.9534 -2.1726 -2.0714 -1.9770 -1.8695 -1.7131 -1.6620 -1.5838 -1.5808 -1.5643 -1.5439 -1.5058 -1.4930 -1.4705 -1.4410 -1.4273 -1.4204 -1.3707 -1.3614 -1.1705 -1.0697 -1.0316 -0.9976 -0.9741 -0.9641 -0.9526 -0.9346 -0.9130 -0.9010 -0.8612 -0.8455 -0.8369 -0.8088 -0.7418 -0.7330 -0.7238 -0.6895 -0.6027 -0.5694 -0.5254 -0.5144 0.1971 0.2005 0.4853 0.4963 0.7389 0.7509 0.8822 0.8905 1.2100 1.2163 1.4164 1.4314 3.1806 3.1874 3.7611 3.7690 4.8751 4.8825 5.0263 5.0358 5.4822 5.4903 5.6173 5.6247 k = 0.0000 0.8422 0.0000 ( 8077 PWs) bands (ev): -9.0734 -9.0731 -8.9524 -8.9521 -2.1786 -2.0662 -1.9840 -1.8663 -1.7155 -1.6564 -1.5863 -1.5847 -1.5636 -1.5418 -1.5056 -1.4948 -1.4680 -1.4386 -1.4266 -1.4196 -1.3708 -1.3623 -1.1776 -1.0639 -1.0324 -0.9948 -0.9748 -0.9650 -0.9519 -0.9324 -0.9136 -0.8982 -0.8604 -0.8474 -0.8354 -0.8074 -0.7439 -0.7329 -0.7237 -0.6888 -0.6074 -0.5716 -0.5258 -0.5147 0.2099 0.2123 0.4971 0.5101 0.7325 0.7451 0.8645 0.8757 1.2014 1.2115 1.4324 1.4469 3.1392 3.1460 3.7210 3.7290 4.9061 4.9123 5.0450 5.0536 5.5403 5.5529 5.6559 5.6636 k = 0.0000 0.8458 0.0207 ( 8071 PWs) bands (ev): -9.0748 -9.0746 -8.9510 -8.9507 -2.1837 -2.0626 -1.9899 -1.8651 -1.7169 -1.6507 -1.5890 -1.5878 -1.5629 -1.5391 -1.5053 -1.4968 -1.4653 -1.4368 -1.4260 -1.4187 -1.3707 -1.3636 -1.1838 -1.0594 -1.0326 -0.9933 -0.9756 -0.9658 -0.9504 -0.9303 -0.9139 -0.8952 -0.8591 -0.8495 -0.8336 -0.8066 -0.7457 -0.7328 -0.7233 -0.6889 -0.6118 -0.5748 -0.5260 -0.5153 0.2248 0.2259 0.5103 0.5253 0.7255 0.7381 0.8460 0.8604 1.1922 1.2063 1.4488 1.4623 3.0952 3.1016 3.6795 3.6875 4.9381 4.9465 5.0634 5.0750 5.5931 5.6120 5.6998 5.7075 k = 0.0000 0.8495 0.0413 ( 8076 PWs) bands (ev): -9.0763 -9.0761 -8.9496 -8.9493 -2.1879 -2.0611 -1.9946 -1.8660 -1.7171 -1.6450 -1.5920 -1.5900 -1.5620 -1.5355 -1.5050 -1.4987 -1.4627 -1.4356 -1.4254 -1.4177 -1.3705 -1.3651 -1.1892 -1.0568 -1.0316 -0.9931 -0.9770 -0.9663 -0.9481 -0.9281 -0.9139 -0.8922 -0.8573 -0.8516 -0.8317 -0.8065 -0.7471 -0.7327 -0.7226 -0.6900 -0.6157 -0.5789 -0.5264 -0.5164 0.2406 0.2421 0.5247 0.5417 0.7180 0.7300 0.8274 0.8452 1.1826 1.2003 1.4650 1.4775 3.0494 3.0553 3.6377 3.6456 4.9687 4.9831 5.0828 5.1015 5.6348 5.6603 5.7479 5.7559 k = 0.0000 0.8531 0.0619 ( 8072 PWs) bands (ev): -9.0779 -9.0777 -8.9481 -8.9478 -2.1912 -2.0617 -1.9979 -1.8688 -1.7160 -1.6397 -1.5948 -1.5916 -1.5608 -1.5309 -1.5048 -1.5003 -1.4605 -1.4350 -1.4250 -1.4165 -1.3704 -1.3662 -1.1937 -1.0566 -1.0294 -0.9938 -0.9793 -0.9664 -0.9449 -0.9258 -0.9133 -0.8893 -0.8551 -0.8534 -0.8298 -0.8068 -0.7479 -0.7326 -0.7217 -0.6918 -0.6193 -0.5838 -0.5266 -0.5178 0.2571 0.2609 0.5402 0.5591 0.7099 0.7208 0.8092 0.8304 1.1725 1.1936 1.4808 1.4922 3.0027 3.0079 3.5964 3.6042 4.9964 5.0179 5.1068 5.1335 5.6608 5.6913 5.7988 5.8075 k = 0.0000 0.8568 0.0825 ( 8071 PWs) bands (ev): -9.0795 -9.0792 -8.9466 -8.9464 -2.1936 -2.0643 -2.0002 -1.8733 -1.7135 -1.6352 -1.5971 -1.5930 -1.5595 -1.5254 -1.5049 -1.5012 -1.4585 -1.4349 -1.4245 -1.4153 -1.3710 -1.3664 -1.1972 -1.0584 -1.0262 -0.9950 -0.9826 -0.9664 -0.9410 -0.9236 -0.9122 -0.8869 -0.8547 -0.8526 -0.8278 -0.8077 -0.7482 -0.7326 -0.7209 -0.6943 -0.6224 -0.5896 -0.5269 -0.5193 0.2749 0.2813 0.5565 0.5773 0.7013 0.7108 0.7917 0.8163 1.1620 1.1861 1.4959 1.5062 2.9556 2.9601 3.5564 3.5640 5.0204 5.0464 5.1387 5.1711 5.6712 5.7041 5.8518 5.8610 k = 0.0000 0.8604 0.1032 ( 8075 PWs) bands (ev): -9.0811 -9.0808 -8.9452 -8.9449 -2.1949 -2.0687 -2.0014 -1.8793 -1.7098 -1.6317 -1.5990 -1.5943 -1.5578 -1.5198 -1.5050 -1.5013 -1.4568 -1.4353 -1.4241 -1.4143 -1.3720 -1.3657 -1.1998 -1.0618 -1.0227 -0.9965 -0.9864 -0.9664 -0.9367 -0.9214 -0.9107 -0.8851 -0.8552 -0.8498 -0.8257 -0.8089 -0.7481 -0.7327 -0.7203 -0.6973 -0.6253 -0.5960 -0.5272 -0.5209 0.2939 0.3030 0.5732 0.5959 0.6923 0.7001 0.7755 0.8029 1.1512 1.1775 1.5101 1.5192 2.9090 2.9126 3.5184 3.5257 5.0405 5.0675 5.1794 5.2133 5.6702 5.7039 5.9061 5.9153 k = 0.0000 0.8640 0.1238 ( 8082 PWs) bands (ev): -9.0826 -9.0824 -8.9438 -8.9436 -2.1953 -2.0745 -2.0017 -1.8865 -1.7051 -1.6292 -1.6005 -1.5953 -1.5558 -1.5156 -1.5040 -1.5006 -1.4553 -1.4359 -1.4236 -1.4135 -1.3727 -1.3646 -1.2014 -1.0665 -1.0196 -0.9979 -0.9903 -0.9665 -0.9323 -0.9193 -0.9090 -0.8842 -0.8550 -0.8466 -0.8238 -0.8104 -0.7476 -0.7331 -0.7202 -0.7003 -0.6278 -0.6028 -0.5275 -0.5224 0.3138 0.3256 0.5902 0.6147 0.6831 0.6892 0.7609 0.7902 1.1402 1.1681 1.5231 1.5311 2.8634 2.8661 3.4827 3.4898 5.0576 5.0831 5.2258 5.2587 5.6625 5.6971 5.9604 5.9691 k = 0.0000 0.8677 0.1444 ( 8078 PWs) bands (ev): -9.0841 -9.0839 -8.9425 -8.9423 -2.1947 -2.0815 -2.0012 -1.8945 -1.6994 -1.6278 -1.6017 -1.5963 -1.5534 -1.5143 -1.5017 -1.4981 -1.4539 -1.4367 -1.4231 -1.4130 -1.3728 -1.3632 -1.2020 -1.0724 -1.0172 -0.9994 -0.9934 -0.9668 -0.9280 -0.9174 -0.9070 -0.8842 -0.8539 -0.8430 -0.8220 -0.8117 -0.7469 -0.7339 -0.7206 -0.7031 -0.6300 -0.6098 -0.5278 -0.5238 0.3342 0.3487 0.6068 0.6328 0.6744 0.6787 0.7482 0.7784 1.1290 1.1578 1.5349 1.5417 2.8194 2.8212 3.4497 3.4566 5.0725 5.0955 5.2749 5.3054 5.6518 5.6880 6.0123 6.0198 k = 0.5000 0.7656 0.4331 ( 8086 PWs) bands (ev): -9.0109 -9.0109 -9.0109 -9.0109 -1.9480 -1.9480 -1.9413 -1.9413 -1.6394 -1.6394 -1.6142 -1.6142 -1.5037 -1.5037 -1.4866 -1.4866 -1.4150 -1.4150 -1.4094 -1.4094 -1.3330 -1.3330 -1.3122 -1.3122 -0.9954 -0.9954 -0.9808 -0.9808 -0.9552 -0.9552 -0.9150 -0.9150 -0.8800 -0.8800 -0.8713 -0.8713 -0.7807 -0.7807 -0.7545 -0.7545 -0.6865 -0.6865 -0.6771 -0.6771 0.4609 0.4609 0.4757 0.4757 0.7560 0.7560 0.7735 0.7735 1.1815 1.1815 1.1869 1.1869 3.9323 3.9323 3.9463 3.9463 4.7234 4.7234 4.7537 4.7537 5.4732 5.4732 5.5076 5.5076 k = 0.5000 0.7444 0.4331 ( 8102 PWs) bands (ev): -9.0120 -9.0120 -9.0119 -9.0119 -1.9509 -1.9509 -1.9441 -1.9441 -1.6371 -1.6371 -1.6114 -1.6114 -1.5038 -1.5038 -1.4864 -1.4864 -1.4145 -1.4145 -1.4090 -1.4090 -1.3318 -1.3318 -1.3112 -1.3112 -0.9961 -0.9961 -0.9804 -0.9804 -0.9561 -0.9561 -0.9168 -0.9168 -0.8796 -0.8796 -0.8711 -0.8711 -0.7808 -0.7808 -0.7545 -0.7545 -0.6878 -0.6878 -0.6779 -0.6779 0.4457 0.4457 0.4590 0.4590 0.7670 0.7670 0.7838 0.7838 1.1856 1.1856 1.1920 1.1920 3.9319 3.9319 3.9443 3.9443 4.6946 4.6946 4.7238 4.7238 5.4786 5.4786 5.5159 5.5159 k = 0.5000 0.7231 0.4331 ( 8112 PWs) bands (ev): -9.0133 -9.0133 -9.0133 -9.0133 -1.9539 -1.9539 -1.9471 -1.9471 -1.6347 -1.6347 -1.6086 -1.6086 -1.5038 -1.5038 -1.4861 -1.4861 -1.4140 -1.4140 -1.4085 -1.4085 -1.3304 -1.3304 -1.3099 -1.3099 -0.9970 -0.9970 -0.9799 -0.9799 -0.9568 -0.9568 -0.9185 -0.9185 -0.8793 -0.8793 -0.8709 -0.8709 -0.7810 -0.7810 -0.7546 -0.7546 -0.6894 -0.6894 -0.6788 -0.6788 0.4277 0.4277 0.4395 0.4395 0.7773 0.7773 0.7932 0.7932 1.1920 1.1920 1.1995 1.1995 3.9256 3.9256 3.9369 3.9369 4.6671 4.6671 4.6951 4.6951 5.4918 5.4918 5.5311 5.5311 k = 0.5000 0.7018 0.4331 ( 8110 PWs) bands (ev): -9.0150 -9.0150 -9.0150 -9.0150 -1.9569 -1.9569 -1.9500 -1.9500 -1.6322 -1.6322 -1.6058 -1.6058 -1.5037 -1.5037 -1.4857 -1.4857 -1.4134 -1.4134 -1.4079 -1.4079 -1.3287 -1.3287 -1.3085 -1.3085 -0.9978 -0.9978 -0.9793 -0.9793 -0.9573 -0.9573 -0.9203 -0.9203 -0.8790 -0.8790 -0.8706 -0.8706 -0.7812 -0.7812 -0.7548 -0.7548 -0.6913 -0.6913 -0.6798 -0.6798 0.4068 0.4068 0.4175 0.4175 0.7870 0.7870 0.8020 0.8020 1.2007 1.2007 1.2092 1.2092 3.9135 3.9135 3.9245 3.9245 4.6400 4.6400 4.6667 4.6667 5.5145 5.5145 5.5553 5.5553 k = 0.5000 0.6806 0.4331 ( 8114 PWs) bands (ev): -9.0171 -9.0171 -9.0170 -9.0170 -1.9599 -1.9599 -1.9531 -1.9531 -1.6296 -1.6296 -1.6029 -1.6029 -1.5036 -1.5036 -1.4853 -1.4853 -1.4129 -1.4129 -1.4073 -1.4073 -1.3268 -1.3268 -1.3068 -1.3068 -0.9987 -0.9987 -0.9788 -0.9788 -0.9578 -0.9578 -0.9220 -0.9220 -0.8788 -0.8788 -0.8702 -0.8702 -0.7816 -0.7816 -0.7550 -0.7550 -0.6934 -0.6934 -0.6810 -0.6810 0.3833 0.3833 0.3931 0.3931 0.7963 0.7963 0.8103 0.8103 1.2113 1.2113 1.2208 1.2208 3.8962 3.8962 3.9073 3.9073 4.6126 4.6126 4.6380 4.6380 5.5478 5.5478 5.5895 5.5895 k = 0.5000 0.6593 0.4331 ( 8106 PWs) bands (ev): -9.0194 -9.0194 -9.0193 -9.0193 -1.9630 -1.9630 -1.9562 -1.9562 -1.6269 -1.6269 -1.6000 -1.6000 -1.5035 -1.5035 -1.4849 -1.4849 -1.4123 -1.4123 -1.4067 -1.4067 -1.3247 -1.3247 -1.3049 -1.3049 -0.9996 -0.9996 -0.9782 -0.9782 -0.9580 -0.9580 -0.9237 -0.9237 -0.8786 -0.8786 -0.8698 -0.8698 -0.7820 -0.7820 -0.7554 -0.7554 -0.6956 -0.6956 -0.6824 -0.6824 0.3575 0.3575 0.3667 0.3667 0.8053 0.8053 0.8183 0.8183 1.2240 1.2240 1.2343 1.2343 3.8744 3.8744 3.8857 3.8857 4.5846 4.5846 4.6087 4.6087 5.5919 5.5919 5.6342 5.6342 k = 0.5000 0.6380 0.4331 ( 8108 PWs) bands (ev): -9.0220 -9.0220 -9.0219 -9.0219 -1.9660 -1.9660 -1.9593 -1.9593 -1.6242 -1.6242 -1.5971 -1.5971 -1.5033 -1.5033 -1.4844 -1.4844 -1.4118 -1.4118 -1.4061 -1.4061 -1.3225 -1.3225 -1.3029 -1.3029 -1.0005 -1.0005 -0.9776 -0.9776 -0.9581 -0.9581 -0.9254 -0.9254 -0.8785 -0.8785 -0.8694 -0.8694 -0.7825 -0.7825 -0.7558 -0.7558 -0.6980 -0.6980 -0.6840 -0.6840 0.3295 0.3295 0.3385 0.3385 0.8141 0.8141 0.8260 0.8260 1.2384 1.2384 1.2494 1.2494 3.8486 3.8486 3.8603 3.8603 4.5560 4.5560 4.5789 4.5789 5.6466 5.6466 5.6892 5.6892 k = 0.5000 0.6168 0.4331 ( 8112 PWs) bands (ev): -9.0249 -9.0249 -9.0248 -9.0248 -1.9691 -1.9691 -1.9625 -1.9625 -1.6213 -1.6213 -1.5942 -1.5942 -1.5032 -1.5032 -1.4840 -1.4840 -1.4114 -1.4114 -1.4055 -1.4055 -1.3201 -1.3201 -1.3007 -1.3007 -1.0014 -1.0014 -0.9771 -0.9771 -0.9580 -0.9580 -0.9270 -0.9270 -0.8783 -0.8783 -0.8689 -0.8689 -0.7832 -0.7832 -0.7563 -0.7563 -0.7006 -0.7006 -0.6857 -0.6857 0.2998 0.2998 0.3088 0.3088 0.8228 0.8228 0.8334 0.8334 1.2546 1.2546 1.2660 1.2660 3.8194 3.8194 3.8315 3.8315 4.5271 4.5271 4.5489 4.5489 5.7112 5.7112 5.7539 5.7539 k = 0.5000 0.5955 0.4331 ( 8114 PWs) bands (ev): -9.0280 -9.0280 -9.0279 -9.0279 -1.9722 -1.9722 -1.9657 -1.9657 -1.6184 -1.6184 -1.5912 -1.5912 -1.5030 -1.5030 -1.4835 -1.4835 -1.4110 -1.4110 -1.4049 -1.4049 -1.3178 -1.3178 -1.2984 -1.2984 -1.0024 -1.0024 -0.9766 -0.9766 -0.9577 -0.9577 -0.9286 -0.9286 -0.8782 -0.8782 -0.8684 -0.8684 -0.7838 -0.7838 -0.7568 -0.7568 -0.7032 -0.7032 -0.6875 -0.6875 0.2687 0.2687 0.2779 0.2779 0.8311 0.8311 0.8406 0.8406 1.2725 1.2725 1.2842 1.2842 3.7874 3.7874 3.7997 3.7997 4.4982 4.4982 4.5191 4.5191 5.7848 5.7848 5.8277 5.8277 k = 0.5000 0.5742 0.4331 ( 8122 PWs) bands (ev): -9.0314 -9.0314 -9.0313 -9.0313 -1.9753 -1.9753 -1.9689 -1.9689 -1.6155 -1.6155 -1.5883 -1.5883 -1.5028 -1.5028 -1.4832 -1.4832 -1.4107 -1.4107 -1.4044 -1.4044 -1.3154 -1.3154 -1.2959 -1.2959 -1.0033 -1.0033 -0.9762 -0.9762 -0.9572 -0.9572 -0.9301 -0.9301 -0.8780 -0.8780 -0.8680 -0.8680 -0.7846 -0.7846 -0.7574 -0.7574 -0.7058 -0.7058 -0.6894 -0.6894 0.2365 0.2365 0.2461 0.2461 0.8392 0.8392 0.8475 0.8475 1.2921 1.2921 1.3040 1.3040 3.7530 3.7530 3.7654 3.7654 4.4697 4.4697 4.4897 4.4897 5.8667 5.8667 5.9097 5.9097 k = 0.5000 0.5530 0.4331 ( 8112 PWs) bands (ev): -9.0350 -9.0350 -9.0348 -9.0348 -1.9783 -1.9783 -1.9721 -1.9721 -1.6125 -1.6125 -1.5854 -1.5854 -1.5026 -1.5026 -1.4828 -1.4828 -1.4105 -1.4105 -1.4040 -1.4040 -1.3130 -1.3130 -1.2934 -1.2934 -1.0042 -1.0042 -0.9759 -0.9759 -0.9565 -0.9565 -0.9316 -0.9316 -0.8778 -0.8778 -0.8676 -0.8676 -0.7854 -0.7854 -0.7580 -0.7580 -0.7084 -0.7084 -0.6914 -0.6914 0.2035 0.2035 0.2136 0.2136 0.8467 0.8467 0.8540 0.8540 1.3133 1.3133 1.3253 1.3253 3.7167 3.7167 3.7291 3.7291 4.4419 4.4419 4.4612 4.4612 5.9558 5.9558 5.9991 5.9991 k = 0.5000 0.5317 0.4331 ( 8114 PWs) bands (ev): -9.0387 -9.0387 -9.0386 -9.0386 -1.9814 -1.9814 -1.9754 -1.9754 -1.6094 -1.6094 -1.5825 -1.5825 -1.5025 -1.5025 -1.4825 -1.4825 -1.4105 -1.4105 -1.4036 -1.4036 -1.3106 -1.3106 -1.2908 -1.2908 -1.0051 -1.0051 -0.9757 -0.9757 -0.9557 -0.9557 -0.9330 -0.9330 -0.8776 -0.8776 -0.8673 -0.8673 -0.7863 -0.7863 -0.7587 -0.7587 -0.7109 -0.7109 -0.6934 -0.6934 0.1702 0.1702 0.1806 0.1806 0.8538 0.8538 0.8600 0.8600 1.3363 1.3363 1.3482 1.3482 3.6789 3.6789 3.6911 3.6911 4.4151 4.4151 4.4337 4.4337 6.0514 6.0514 6.0950 6.0950 k = 0.5000 0.5104 0.4331 ( 8110 PWs) bands (ev): -9.0426 -9.0426 -9.0425 -9.0425 -1.9844 -1.9844 -1.9786 -1.9786 -1.6064 -1.6064 -1.5796 -1.5796 -1.5023 -1.5023 -1.4822 -1.4822 -1.4105 -1.4105 -1.4034 -1.4034 -1.3083 -1.3083 -1.2882 -1.2882 -1.0060 -1.0060 -0.9755 -0.9755 -0.9547 -0.9547 -0.9342 -0.9342 -0.8774 -0.8774 -0.8670 -0.8670 -0.7873 -0.7873 -0.7593 -0.7593 -0.7133 -0.7133 -0.6953 -0.6953 0.1366 0.1366 0.1476 0.1476 0.8601 0.8601 0.8655 0.8655 1.3610 1.3610 1.3728 1.3728 3.6398 3.6398 3.6518 3.6518 4.3894 4.3894 4.4073 4.4073 6.1527 6.1527 6.1967 6.1967 k = 0.5000 0.4892 0.4331 ( 8104 PWs) bands (ev): -9.0467 -9.0467 -9.0465 -9.0465 -1.9874 -1.9874 -1.9819 -1.9819 -1.6033 -1.6033 -1.5767 -1.5767 -1.5022 -1.5022 -1.4820 -1.4820 -1.4107 -1.4107 -1.4032 -1.4032 -1.3061 -1.3061 -1.2857 -1.2857 -1.0069 -1.0069 -0.9754 -0.9754 -0.9536 -0.9536 -0.9354 -0.9354 -0.8771 -0.8771 -0.8669 -0.8669 -0.7883 -0.7883 -0.7600 -0.7600 -0.7155 -0.7155 -0.6972 -0.6972 0.1031 0.1031 0.1146 0.1146 0.8658 0.8658 0.8704 0.8704 1.3874 1.3874 1.3990 1.3990 3.5999 3.5999 3.6115 3.6115 4.3649 4.3649 4.3823 4.3823 6.2586 6.2586 6.3033 6.3033 k = 0.5000 0.4679 0.4331 ( 8110 PWs) bands (ev): -9.0508 -9.0508 -9.0506 -9.0506 -1.9904 -1.9904 -1.9851 -1.9851 -1.6002 -1.6002 -1.5739 -1.5739 -1.5022 -1.5022 -1.4820 -1.4820 -1.4111 -1.4111 -1.4032 -1.4032 -1.3040 -1.3040 -1.2833 -1.2833 -1.0077 -1.0077 -0.9754 -0.9754 -0.9524 -0.9524 -0.9364 -0.9364 -0.8768 -0.8768 -0.8668 -0.8668 -0.7894 -0.7894 -0.7607 -0.7607 -0.7176 -0.7176 -0.6991 -0.6991 0.0700 0.0700 0.0820 0.0820 0.8705 0.8705 0.8747 0.8747 1.4156 1.4156 1.4269 1.4269 3.5594 3.5594 3.5706 3.5706 4.3418 4.3418 4.3585 4.3585 6.3685 6.3685 6.4140 6.4140 k = 0.5000 0.4466 0.4331 ( 8110 PWs) bands (ev): -9.0550 -9.0550 -9.0548 -9.0548 -1.9933 -1.9933 -1.9883 -1.9883 -1.5971 -1.5971 -1.5712 -1.5712 -1.5022 -1.5022 -1.4820 -1.4820 -1.4115 -1.4115 -1.4033 -1.4033 -1.3020 -1.3020 -1.2810 -1.2810 -1.0084 -1.0084 -0.9755 -0.9755 -0.9511 -0.9511 -0.9372 -0.9372 -0.8765 -0.8765 -0.8669 -0.8669 -0.7905 -0.7905 -0.7613 -0.7613 -0.7194 -0.7194 -0.7009 -0.7009 0.0373 0.0373 0.0498 0.0498 0.8744 0.8744 0.8784 0.8784 1.4454 1.4454 1.4564 1.4564 3.5186 3.5186 3.5294 3.5294 4.3199 4.3199 4.3360 4.3360 6.4812 6.4812 6.5279 6.5279 k = 0.5000 0.4254 0.4331 ( 8112 PWs) bands (ev): -9.0592 -9.0592 -9.0591 -9.0591 -1.9962 -1.9962 -1.9914 -1.9914 -1.5940 -1.5940 -1.5684 -1.5684 -1.5022 -1.5022 -1.4821 -1.4821 -1.4121 -1.4121 -1.4035 -1.4035 -1.3002 -1.3002 -1.2789 -1.2789 -1.0091 -1.0091 -0.9756 -0.9756 -0.9499 -0.9499 -0.9377 -0.9377 -0.8763 -0.8763 -0.8670 -0.8670 -0.7916 -0.7916 -0.7620 -0.7620 -0.7210 -0.7210 -0.7025 -0.7025 0.0054 0.0054 0.0184 0.0184 0.8774 0.8774 0.8813 0.8813 1.4768 1.4768 1.4874 1.4874 3.4777 3.4777 3.4880 3.4880 4.2992 4.2992 4.3147 4.3147 6.5953 6.5953 6.6438 6.6438 k = 0.5000 0.4041 0.4331 ( 8112 PWs) bands (ev): -9.0635 -9.0635 -9.0633 -9.0633 -1.9990 -1.9990 -1.9946 -1.9946 -1.5910 -1.5910 -1.5658 -1.5658 -1.5023 -1.5023 -1.4823 -1.4823 -1.4129 -1.4129 -1.4039 -1.4039 -1.2985 -1.2985 -1.2771 -1.2771 -1.0096 -1.0096 -0.9758 -0.9758 -0.9487 -0.9487 -0.9380 -0.9380 -0.8761 -0.8761 -0.8673 -0.8673 -0.7926 -0.7926 -0.7627 -0.7627 -0.7223 -0.7223 -0.7040 -0.7040 -0.0256 -0.0256 -0.0123 -0.0123 0.8796 0.8796 0.8836 0.8836 1.5097 1.5097 1.5199 1.5199 3.4370 3.4370 3.4468 3.4468 4.2798 4.2798 4.2947 4.2947 6.7091 6.7091 6.7600 6.7600 k = 0.5000 0.3828 0.4331 ( 8112 PWs) bands (ev): -9.0677 -9.0677 -9.0676 -9.0676 -2.0017 -2.0017 -1.9976 -1.9976 -1.5879 -1.5879 -1.5632 -1.5632 -1.5025 -1.5025 -1.4826 -1.4826 -1.4137 -1.4137 -1.4045 -1.4045 -1.2969 -1.2969 -1.2755 -1.2755 -1.0101 -1.0101 -0.9761 -0.9761 -0.9476 -0.9476 -0.9380 -0.9380 -0.8761 -0.8761 -0.8676 -0.8676 -0.7936 -0.7936 -0.7635 -0.7635 -0.7233 -0.7233 -0.7053 -0.7053 -0.0557 -0.0557 -0.0419 -0.0419 0.8810 0.8810 0.8853 0.8853 1.5440 1.5440 1.5538 1.5538 3.3965 3.3965 3.4059 3.4059 4.2616 4.2616 4.2758 4.2758 6.8196 6.8196 6.8740 6.8740 k = 0.5000 0.3616 0.4331 ( 8112 PWs) bands (ev): -9.0719 -9.0719 -9.0718 -9.0718 -2.0044 -2.0044 -2.0006 -2.0006 -1.5849 -1.5849 -1.5607 -1.5607 -1.5027 -1.5027 -1.4831 -1.4831 -1.4147 -1.4147 -1.4052 -1.4052 -1.2955 -1.2955 -1.2742 -1.2742 -1.0105 -1.0105 -0.9764 -0.9764 -0.9466 -0.9466 -0.9376 -0.9376 -0.8761 -0.8761 -0.8679 -0.8679 -0.7945 -0.7945 -0.7642 -0.7642 -0.7241 -0.7241 -0.7064 -0.7064 -0.0845 -0.0845 -0.0704 -0.0704 0.8818 0.8818 0.8863 0.8863 1.5794 1.5794 1.5888 1.5888 3.3566 3.3566 3.3655 3.3655 4.2445 4.2445 4.2580 4.2580 6.9224 6.9224 6.9814 6.9814 k = 0.5000 0.3403 0.4331 ( 8118 PWs) bands (ev): -9.0760 -9.0760 -9.0759 -9.0759 -2.0071 -2.0071 -2.0035 -2.0035 -1.5819 -1.5819 -1.5583 -1.5583 -1.5029 -1.5029 -1.4836 -1.4836 -1.4158 -1.4158 -1.4060 -1.4060 -1.2943 -1.2943 -1.2732 -1.2732 -1.0107 -1.0107 -0.9768 -0.9768 -0.9457 -0.9457 -0.9369 -0.9369 -0.8764 -0.8764 -0.8683 -0.8683 -0.7952 -0.7952 -0.7651 -0.7651 -0.7245 -0.7245 -0.7074 -0.7074 -0.1121 -0.1121 -0.0978 -0.0978 0.8819 0.8819 0.8867 0.8867 1.6158 1.6158 1.6247 1.6247 3.3174 3.3174 3.3257 3.3257 4.2284 4.2284 4.2413 4.2413 7.0108 7.0108 7.0743 7.0743 k = 0.5000 0.3190 0.4331 ( 8124 PWs) bands (ev): -9.0801 -9.0801 -9.0799 -9.0799 -2.0096 -2.0096 -2.0063 -2.0063 -1.5790 -1.5790 -1.5560 -1.5560 -1.5032 -1.5032 -1.4842 -1.4842 -1.4170 -1.4170 -1.4070 -1.4070 -1.2932 -1.2932 -1.2725 -1.2725 -1.0109 -1.0109 -0.9773 -0.9773 -0.9448 -0.9448 -0.9359 -0.9359 -0.8769 -0.8769 -0.8686 -0.8686 -0.7957 -0.7957 -0.7660 -0.7660 -0.7247 -0.7247 -0.7082 -0.7082 -0.1384 -0.1384 -0.1238 -0.1238 0.8816 0.8816 0.8865 0.8865 1.6530 1.6530 1.6614 1.6614 3.2789 3.2789 3.2868 3.2868 4.2134 4.2134 4.2256 4.2256 7.0773 7.0773 7.1417 7.1417 k = 0.5000 0.2977 0.4331 ( 8118 PWs) bands (ev): -9.0840 -9.0840 -9.0838 -9.0838 -2.0120 -2.0120 -2.0090 -2.0090 -1.5761 -1.5761 -1.5538 -1.5538 -1.5035 -1.5035 -1.4849 -1.4849 -1.4182 -1.4182 -1.4081 -1.4081 -1.2922 -1.2922 -1.2721 -1.2721 -1.0109 -1.0109 -0.9778 -0.9778 -0.9440 -0.9440 -0.9347 -0.9347 -0.8777 -0.8777 -0.8688 -0.8688 -0.7960 -0.7960 -0.7669 -0.7669 -0.7245 -0.7245 -0.7088 -0.7088 -0.1631 -0.1631 -0.1484 -0.1484 0.8808 0.8808 0.8859 0.8859 1.6907 1.6907 1.6986 1.6986 3.2413 3.2413 3.2487 3.2487 4.1994 4.1994 4.2109 4.2109 7.1181 7.1181 7.1773 7.1773 k = 0.5000 0.2765 0.4331 ( 8102 PWs) bands (ev): -9.0877 -9.0877 -9.0876 -9.0876 -2.0144 -2.0144 -2.0116 -2.0116 -1.5733 -1.5733 -1.5517 -1.5517 -1.5037 -1.5037 -1.4856 -1.4856 -1.4194 -1.4194 -1.4094 -1.4094 -1.2914 -1.2914 -1.2719 -1.2719 -1.0108 -1.0108 -0.9784 -0.9784 -0.9431 -0.9431 -0.9334 -0.9334 -0.8786 -0.8786 -0.8690 -0.8690 -0.7961 -0.7961 -0.7679 -0.7679 -0.7242 -0.7242 -0.7092 -0.7092 -0.1864 -0.1864 -0.1717 -0.1717 0.8797 0.8797 0.8849 0.8849 1.7286 1.7286 1.7361 1.7361 3.2048 3.2048 3.2116 3.2116 4.1865 4.1865 4.1971 4.1971 7.1367 7.1367 7.1871 7.1871 k = 0.5000 0.2552 0.4331 ( 8114 PWs) bands (ev): -9.0913 -9.0913 -9.0911 -9.0911 -2.0166 -2.0166 -2.0140 -2.0140 -1.5706 -1.5706 -1.5498 -1.5498 -1.5040 -1.5040 -1.4864 -1.4864 -1.4207 -1.4207 -1.4107 -1.4107 -1.2907 -1.2907 -1.2721 -1.2721 -1.0106 -1.0106 -0.9791 -0.9791 -0.9423 -0.9423 -0.9320 -0.9320 -0.8797 -0.8797 -0.8692 -0.8692 -0.7960 -0.7960 -0.7689 -0.7689 -0.7236 -0.7236 -0.7095 -0.7095 -0.2080 -0.2080 -0.1934 -0.1934 0.8784 0.8784 0.8835 0.8835 1.7665 1.7665 1.7735 1.7735 3.1694 3.1694 3.1758 3.1758 4.1745 4.1745 4.1844 4.1844 7.1403 7.1403 7.1820 7.1820 k = 0.5000 0.2339 0.4331 ( 8122 PWs) bands (ev): -9.0947 -9.0947 -9.0945 -9.0945 -2.0187 -2.0187 -2.0163 -2.0163 -1.5680 -1.5680 -1.5481 -1.5481 -1.5042 -1.5042 -1.4873 -1.4873 -1.4220 -1.4220 -1.4122 -1.4122 -1.2902 -1.2902 -1.2724 -1.2724 -1.0103 -1.0103 -0.9798 -0.9798 -0.9413 -0.9413 -0.9306 -0.9306 -0.8809 -0.8809 -0.8695 -0.8695 -0.7956 -0.7956 -0.7700 -0.7700 -0.7230 -0.7230 -0.7097 -0.7097 -0.2280 -0.2280 -0.2136 -0.2136 0.8769 0.8769 0.8819 0.8819 1.8040 1.8040 1.8105 1.8105 3.1353 3.1353 3.1412 3.1412 4.1634 4.1634 4.1725 4.1725 7.1350 7.1350 7.1696 7.1696 k = 0.5000 0.2127 0.4331 ( 8122 PWs) bands (ev): -9.0978 -9.0978 -9.0977 -9.0977 -2.0206 -2.0206 -2.0185 -2.0185 -1.5655 -1.5655 -1.5466 -1.5466 -1.5044 -1.5044 -1.4882 -1.4882 -1.4232 -1.4232 -1.4137 -1.4137 -1.2897 -1.2897 -1.2730 -1.2730 -1.0099 -1.0099 -0.9805 -0.9805 -0.9404 -0.9404 -0.9292 -0.9292 -0.8822 -0.8822 -0.8698 -0.8698 -0.7951 -0.7951 -0.7710 -0.7710 -0.7222 -0.7222 -0.7098 -0.7098 -0.2463 -0.2463 -0.2322 -0.2322 0.8753 0.8753 0.8801 0.8801 1.8407 1.8407 1.8467 1.8467 3.1026 3.1026 3.1080 3.1080 4.1533 4.1533 4.1617 4.1617 7.1250 7.1250 7.1540 7.1540 k = 0.5000 0.1914 0.4331 ( 8122 PWs) bands (ev): -9.1007 -9.1007 -9.1006 -9.1006 -2.0224 -2.0224 -2.0205 -2.0205 -1.5631 -1.5631 -1.5452 -1.5452 -1.5045 -1.5045 -1.4891 -1.4891 -1.4244 -1.4244 -1.4152 -1.4152 -1.2893 -1.2893 -1.2737 -1.2737 -1.0095 -1.0095 -0.9812 -0.9812 -0.9393 -0.9393 -0.9278 -0.9278 -0.8835 -0.8835 -0.8700 -0.8700 -0.7943 -0.7943 -0.7721 -0.7721 -0.7213 -0.7213 -0.7097 -0.7097 -0.2629 -0.2629 -0.2493 -0.2493 0.8737 0.8737 0.8783 0.8783 1.8763 1.8763 1.8819 1.8819 3.0716 3.0716 3.0765 3.0765 4.1442 4.1442 4.1518 4.1518 7.1127 7.1127 7.1373 7.1373 k = 0.5000 0.1701 0.4331 ( 8122 PWs) bands (ev): -9.1034 -9.1034 -9.1033 -9.1033 -2.0241 -2.0241 -2.0223 -2.0223 -1.5609 -1.5609 -1.5441 -1.5441 -1.5045 -1.5045 -1.4900 -1.4900 -1.4255 -1.4255 -1.4168 -1.4168 -1.2890 -1.2890 -1.2746 -1.2746 -1.0089 -1.0089 -0.9820 -0.9820 -0.9383 -0.9383 -0.9265 -0.9265 -0.8847 -0.8847 -0.8703 -0.8703 -0.7934 -0.7934 -0.7731 -0.7731 -0.7205 -0.7205 -0.7096 -0.7096 -0.2777 -0.2777 -0.2647 -0.2647 0.8721 0.8721 0.8764 0.8764 1.9103 1.9103 1.9154 1.9154 3.0424 3.0424 3.0469 3.0469 4.1361 4.1361 4.1428 4.1428 7.0998 7.0998 7.1208 7.1208 k = 0.5000 0.1489 0.4331 ( 8122 PWs) bands (ev): -9.1058 -9.1058 -9.1057 -9.1057 -2.0256 -2.0256 -2.0239 -2.0239 -1.5588 -1.5588 -1.5432 -1.5432 -1.5045 -1.5045 -1.4909 -1.4909 -1.4264 -1.4264 -1.4183 -1.4183 -1.2887 -1.2887 -1.2755 -1.2755 -1.0084 -1.0084 -0.9828 -0.9828 -0.9373 -0.9373 -0.9253 -0.9253 -0.8859 -0.8859 -0.8706 -0.8706 -0.7924 -0.7924 -0.7742 -0.7742 -0.7196 -0.7196 -0.7094 -0.7094 -0.2907 -0.2907 -0.2785 -0.2785 0.8706 0.8706 0.8745 0.8745 1.9422 1.9422 1.9469 1.9469 3.0154 3.0154 3.0193 3.0193 4.1289 4.1289 4.1348 4.1348 7.0870 7.0870 7.1053 7.1053 k = 0.5000 0.1276 0.4331 ( 8120 PWs) bands (ev): -9.1079 -9.1079 -9.1078 -9.1078 -2.0269 -2.0269 -2.0253 -2.0253 -1.5568 -1.5568 -1.5425 -1.5425 -1.5043 -1.5043 -1.4917 -1.4917 -1.4272 -1.4272 -1.4198 -1.4198 -1.2884 -1.2884 -1.2765 -1.2765 -1.0078 -1.0078 -0.9835 -0.9835 -0.9364 -0.9364 -0.9242 -0.9242 -0.8870 -0.8870 -0.8709 -0.8709 -0.7914 -0.7914 -0.7753 -0.7753 -0.7188 -0.7188 -0.7091 -0.7091 -0.3019 -0.3019 -0.2905 -0.2905 0.8692 0.8692 0.8727 0.8727 1.9716 1.9716 1.9759 1.9759 2.9908 2.9908 2.9942 2.9942 4.1227 4.1227 4.1278 4.1278 7.0752 7.0752 7.0911 7.0911 k = 0.5000 0.1063 0.4331 ( 8122 PWs) bands (ev): -9.1097 -9.1097 -9.1096 -9.1096 -2.0280 -2.0280 -2.0266 -2.0266 -1.5551 -1.5551 -1.5421 -1.5421 -1.5041 -1.5041 -1.4925 -1.4925 -1.4278 -1.4278 -1.4212 -1.4212 -1.2881 -1.2881 -1.2774 -1.2774 -1.0072 -1.0072 -0.9842 -0.9842 -0.9355 -0.9355 -0.9233 -0.9233 -0.8880 -0.8880 -0.8712 -0.8712 -0.7902 -0.7902 -0.7763 -0.7763 -0.7181 -0.7181 -0.7088 -0.7088 -0.3114 -0.3114 -0.3009 -0.3009 0.8680 0.8680 0.8711 0.8711 1.9979 1.9979 2.0017 2.0017 2.9689 2.9689 2.9718 2.9718 4.1175 4.1175 4.1218 4.1218 7.0646 7.0646 7.0787 7.0787 k = 0.5000 0.0851 0.4331 ( 8116 PWs) bands (ev): -9.1112 -9.1112 -9.1111 -9.1111 -2.0289 -2.0289 -2.0276 -2.0276 -1.5536 -1.5536 -1.5418 -1.5418 -1.5039 -1.5039 -1.4932 -1.4932 -1.4283 -1.4283 -1.4225 -1.4225 -1.2879 -1.2879 -1.2783 -1.2783 -1.0066 -1.0066 -0.9848 -0.9848 -0.9347 -0.9347 -0.9225 -0.9225 -0.8888 -0.8888 -0.8715 -0.8715 -0.7891 -0.7891 -0.7773 -0.7773 -0.7175 -0.7175 -0.7085 -0.7085 -0.3190 -0.3190 -0.3095 -0.3095 0.8671 0.8671 0.8696 0.8696 2.0205 2.0205 2.0240 2.0240 2.9503 2.9503 2.9527 2.9527 4.1133 4.1133 4.1168 4.1168 7.0557 7.0557 7.0682 7.0682 k = 0.5000 0.0638 0.4331 ( 8122 PWs) bands (ev): -9.1123 -9.1123 -9.1123 -9.1123 -2.0297 -2.0297 -2.0284 -2.0284 -1.5524 -1.5524 -1.5417 -1.5417 -1.5037 -1.5037 -1.4939 -1.4939 -1.4285 -1.4285 -1.4237 -1.4237 -1.2876 -1.2876 -1.2791 -1.2791 -1.0062 -1.0062 -0.9853 -0.9853 -0.9341 -0.9341 -0.9220 -0.9220 -0.8894 -0.8894 -0.8717 -0.8717 -0.7880 -0.7880 -0.7783 -0.7783 -0.7171 -0.7171 -0.7083 -0.7083 -0.3249 -0.3249 -0.3163 -0.3163 0.8663 0.8663 0.8684 0.8684 2.0388 2.0388 2.0420 2.0420 2.9352 2.9352 2.9371 2.9371 4.1101 4.1101 4.1128 4.1128 7.0485 7.0485 7.0599 7.0599 k = 0.5000 0.0425 0.4331 ( 8126 PWs) bands (ev): -9.1132 -9.1132 -9.1131 -9.1131 -2.0302 -2.0302 -2.0289 -2.0289 -1.5514 -1.5514 -1.5416 -1.5416 -1.5034 -1.5034 -1.4943 -1.4943 -1.4286 -1.4286 -1.4246 -1.4246 -1.2874 -1.2874 -1.2797 -1.2797 -1.0058 -1.0058 -0.9857 -0.9857 -0.9336 -0.9336 -0.9216 -0.9216 -0.8899 -0.8899 -0.8719 -0.8719 -0.7871 -0.7871 -0.7791 -0.7791 -0.7167 -0.7167 -0.7081 -0.7081 -0.3290 -0.3290 -0.3212 -0.3212 0.8659 0.8659 0.8675 0.8675 2.0524 2.0524 2.0552 2.0552 2.9242 2.9242 2.9255 2.9255 4.1080 4.1080 4.1098 4.1098 7.0434 7.0434 7.0539 7.0539 k = 0.5000 0.0213 0.4331 ( 8128 PWs) bands (ev): -9.1137 -9.1137 -9.1136 -9.1136 -2.0306 -2.0306 -2.0293 -2.0293 -1.5508 -1.5508 -1.5416 -1.5416 -1.5033 -1.5033 -1.4946 -1.4946 -1.4286 -1.4286 -1.4253 -1.4253 -1.2873 -1.2873 -1.2801 -1.2801 -1.0056 -1.0056 -0.9860 -0.9860 -0.9333 -0.9333 -0.9213 -0.9213 -0.8902 -0.8902 -0.8720 -0.8720 -0.7864 -0.7864 -0.7798 -0.7798 -0.7165 -0.7165 -0.7080 -0.7080 -0.3315 -0.3315 -0.3242 -0.3242 0.8656 0.8656 0.8668 0.8668 2.0607 2.0607 2.0634 2.0634 2.9176 2.9176 2.9183 2.9183 4.1068 4.1068 4.1079 4.1079 7.0402 7.0402 7.0502 7.0502 k = 0.5000-0.0000 0.4331 ( 8132 PWs) bands (ev): -9.1138 -9.1138 -9.1138 -9.1138 -2.0307 -2.0307 -2.0294 -2.0294 -1.5506 -1.5506 -1.5416 -1.5416 -1.5032 -1.5032 -1.4948 -1.4948 -1.4286 -1.4286 -1.4255 -1.4255 -1.2872 -1.2872 -1.2803 -1.2803 -1.0055 -1.0055 -0.9861 -0.9861 -0.9332 -0.9332 -0.9212 -0.9212 -0.8903 -0.8903 -0.8721 -0.8721 -0.7861 -0.7861 -0.7800 -0.7800 -0.7165 -0.7165 -0.7079 -0.7079 -0.3323 -0.3323 -0.3252 -0.3252 0.8656 0.8656 0.8666 0.8666 2.0635 2.0635 2.0661 2.0661 2.9154 2.9154 2.9158 2.9158 4.1064 4.1064 4.1072 4.1072 7.0392 7.0392 7.0490 7.0490 k = 0.5000-0.0000 0.4331 ( 8132 PWs) bands (ev): -9.1138 -9.1138 -9.1138 -9.1138 -2.0307 -2.0307 -2.0294 -2.0294 -1.5506 -1.5506 -1.5416 -1.5416 -1.5032 -1.5032 -1.4948 -1.4948 -1.4286 -1.4286 -1.4255 -1.4255 -1.2872 -1.2872 -1.2803 -1.2803 -1.0055 -1.0055 -0.9861 -0.9861 -0.9332 -0.9332 -0.9212 -0.9212 -0.8903 -0.8903 -0.8721 -0.8721 -0.7861 -0.7861 -0.7800 -0.7800 -0.7165 -0.7165 -0.7079 -0.7079 -0.3323 -0.3323 -0.3252 -0.3252 0.8656 0.8656 0.8666 0.8666 2.0635 2.0635 2.0661 2.0661 2.9154 2.9154 2.9158 2.9158 4.1064 4.1064 4.1072 4.1072 7.0392 7.0392 7.0490 7.0490 k = 0.5000-0.0000 0.4114 ( 8124 PWs) bands (ev): -9.1138 -9.1138 -9.1138 -9.1138 -2.0301 -2.0301 -2.0288 -2.0288 -1.5522 -1.5522 -1.5418 -1.5418 -1.5031 -1.5031 -1.4944 -1.4944 -1.4288 -1.4288 -1.4249 -1.4249 -1.2875 -1.2875 -1.2802 -1.2802 -1.0053 -1.0053 -0.9856 -0.9856 -0.9333 -0.9333 -0.9212 -0.9212 -0.8902 -0.8902 -0.8720 -0.8720 -0.7863 -0.7863 -0.7799 -0.7799 -0.7165 -0.7165 -0.7079 -0.7079 -0.3317 -0.3317 -0.3245 -0.3245 0.8626 0.8626 0.8640 0.8640 2.0635 2.0635 2.0661 2.0661 2.9157 2.9157 2.9189 2.9189 4.1083 4.1083 4.1101 4.1101 7.0314 7.0314 7.0420 7.0420 k = 0.5000-0.0000 0.3898 ( 8130 PWs) bands (ev): -9.1138 -9.1138 -9.1138 -9.1138 -2.0285 -2.0285 -2.0271 -2.0271 -1.5563 -1.5563 -1.5428 -1.5428 -1.5028 -1.5028 -1.4935 -1.4935 -1.4289 -1.4289 -1.4234 -1.4234 -1.2883 -1.2883 -1.2801 -1.2801 -1.0047 -1.0047 -0.9844 -0.9844 -0.9337 -0.9337 -0.9212 -0.9212 -0.8901 -0.8901 -0.8718 -0.8718 -0.7870 -0.7870 -0.7795 -0.7795 -0.7165 -0.7165 -0.7077 -0.7077 -0.3302 -0.3302 -0.3224 -0.3224 0.8539 0.8539 0.8561 0.8561 2.0634 2.0634 2.0660 2.0660 2.9193 2.9193 2.9255 2.9255 4.1147 4.1147 4.1179 4.1179 7.0085 7.0085 7.0210 7.0210 k = 0.5000-0.0000 0.3681 ( 8132 PWs) bands (ev): -9.1139 -9.1139 -9.1139 -9.1139 -2.0259 -2.0259 -2.0243 -2.0243 -1.5618 -1.5618 -1.5454 -1.5454 -1.5020 -1.5020 -1.4923 -1.4923 -1.4288 -1.4288 -1.4215 -1.4215 -1.2895 -1.2895 -1.2801 -1.2801 -1.0037 -1.0037 -0.9824 -0.9824 -0.9342 -0.9342 -0.9211 -0.9211 -0.8898 -0.8898 -0.8716 -0.8716 -0.7880 -0.7880 -0.7791 -0.7791 -0.7166 -0.7166 -0.7074 -0.7074 -0.3275 -0.3275 -0.3189 -0.3189 0.8400 0.8400 0.8431 0.8431 2.0632 2.0632 2.0659 2.0659 2.9260 2.9260 2.9350 2.9350 4.1259 4.1259 4.1304 4.1304 6.9719 6.9719 6.9867 6.9867 k = 0.5000-0.0000 0.3464 ( 8138 PWs) bands (ev): -9.1139 -9.1139 -9.1139 -9.1139 -2.0222 -2.0222 -2.0204 -2.0204 -1.5683 -1.5683 -1.5494 -1.5494 -1.5009 -1.5009 -1.4912 -1.4912 -1.4282 -1.4282 -1.4194 -1.4194 -1.2909 -1.2909 -1.2802 -1.2802 -1.0022 -1.0022 -0.9798 -0.9798 -0.9349 -0.9349 -0.9209 -0.9209 -0.8894 -0.8894 -0.8713 -0.8713 -0.7891 -0.7891 -0.7787 -0.7787 -0.7167 -0.7167 -0.7070 -0.7070 -0.3236 -0.3236 -0.3142 -0.3142 0.8212 0.8212 0.8252 0.8252 2.0630 2.0630 2.0656 2.0656 2.9355 2.9355 2.9470 2.9470 4.1420 4.1420 4.1477 4.1477 6.9231 6.9231 6.9401 6.9401 k = 0.5000-0.0000 0.3248 ( 8132 PWs) bands (ev): -9.1140 -9.1140 -9.1139 -9.1139 -2.0176 -2.0176 -2.0155 -2.0155 -1.5753 -1.5753 -1.5546 -1.5546 -1.4997 -1.4997 -1.4903 -1.4903 -1.4273 -1.4273 -1.4173 -1.4173 -1.2926 -1.2926 -1.2805 -1.2805 -1.0003 -1.0003 -0.9767 -0.9767 -0.9358 -0.9358 -0.9206 -0.9206 -0.8890 -0.8890 -0.8708 -0.8708 -0.7902 -0.7902 -0.7783 -0.7783 -0.7167 -0.7167 -0.7065 -0.7065 -0.3185 -0.3185 -0.3082 -0.3082 0.7981 0.7981 0.8029 0.8029 2.0627 2.0627 2.0654 2.0654 2.9473 2.9473 2.9610 2.9610 4.1632 4.1632 4.1698 4.1698 6.8639 6.8639 6.8828 6.8828 k = 0.5000-0.0000 0.3031 ( 8128 PWs) bands (ev): -9.1140 -9.1140 -9.1140 -9.1140 -2.0121 -2.0121 -2.0097 -2.0097 -1.5827 -1.5827 -1.5608 -1.5608 -1.4987 -1.4987 -1.4897 -1.4897 -1.4261 -1.4261 -1.4152 -1.4152 -1.2944 -1.2944 -1.2810 -1.2810 -0.9980 -0.9980 -0.9735 -0.9735 -0.9368 -0.9368 -0.9199 -0.9199 -0.8886 -0.8886 -0.8702 -0.8702 -0.7913 -0.7913 -0.7780 -0.7780 -0.7167 -0.7167 -0.7059 -0.7059 -0.3122 -0.3122 -0.3010 -0.3010 0.7711 0.7711 0.7768 0.7768 2.0624 2.0624 2.0650 2.0650 2.9607 2.9607 2.9761 2.9761 4.1895 4.1895 4.1967 4.1967 6.7960 6.7960 6.8164 6.8164 k = 0.5000-0.0000 0.2815 ( 8136 PWs) bands (ev): -9.1141 -9.1141 -9.1141 -9.1141 -2.0057 -2.0057 -2.0031 -2.0031 -1.5902 -1.5902 -1.5676 -1.5676 -1.4978 -1.4978 -1.4893 -1.4893 -1.4248 -1.4248 -1.4133 -1.4133 -1.2963 -1.2963 -1.2819 -1.2819 -0.9954 -0.9954 -0.9702 -0.9702 -0.9379 -0.9379 -0.9189 -0.9189 -0.8884 -0.8884 -0.8695 -0.8695 -0.7924 -0.7924 -0.7778 -0.7778 -0.7166 -0.7166 -0.7053 -0.7053 -0.3047 -0.3047 -0.2928 -0.2928 0.7411 0.7411 0.7475 0.7475 2.0621 2.0621 2.0647 2.0647 2.9752 2.9752 2.9919 2.9919 4.2210 4.2210 4.2286 4.2286 6.7210 6.7210 6.7425 6.7425 k = 0.5000-0.0000 0.2598 ( 8126 PWs) bands (ev): -9.1142 -9.1142 -9.1141 -9.1141 -1.9987 -1.9987 -1.9957 -1.9957 -1.5979 -1.5979 -1.5748 -1.5748 -1.4972 -1.4972 -1.4892 -1.4892 -1.4235 -1.4235 -1.4117 -1.4117 -1.2982 -1.2982 -1.2829 -1.2829 -0.9925 -0.9925 -0.9671 -0.9671 -0.9389 -0.9389 -0.9175 -0.9175 -0.8884 -0.8884 -0.8685 -0.8685 -0.7935 -0.7935 -0.7775 -0.7775 -0.7163 -0.7163 -0.7045 -0.7045 -0.2960 -0.2960 -0.2835 -0.2835 0.7086 0.7086 0.7157 0.7157 2.0617 2.0617 2.0643 2.0643 2.9902 2.9902 3.0077 3.0077 4.2576 4.2576 4.2651 4.2651 6.6405 6.6405 6.6626 6.6626 k = 0.5000-0.0000 0.2382 ( 8130 PWs) bands (ev): -9.1142 -9.1142 -9.1142 -9.1142 -1.9910 -1.9910 -1.9877 -1.9877 -1.6054 -1.6054 -1.5824 -1.5824 -1.4968 -1.4968 -1.4893 -1.4893 -1.4222 -1.4222 -1.4104 -1.4104 -1.3002 -1.3002 -1.2843 -1.2843 -0.9897 -0.9897 -0.9642 -0.9642 -0.9399 -0.9399 -0.9157 -0.9157 -0.8887 -0.8887 -0.8671 -0.8671 -0.7945 -0.7945 -0.7771 -0.7771 -0.7159 -0.7159 -0.7037 -0.7037 -0.2862 -0.2862 -0.2732 -0.2732 0.6743 0.6743 0.6820 0.6820 2.0613 2.0613 2.0639 2.0639 3.0051 3.0051 3.0229 3.0229 4.2990 4.2990 4.3062 4.3062 6.5560 6.5560 6.5784 6.5784 k = 0.5000-0.0000 0.2165 ( 8130 PWs) bands (ev): -9.1143 -9.1143 -9.1143 -9.1143 -1.9830 -1.9830 -1.9794 -1.9794 -1.6128 -1.6128 -1.5901 -1.5901 -1.4966 -1.4966 -1.4896 -1.4896 -1.4210 -1.4210 -1.4094 -1.4094 -1.3020 -1.3020 -1.2858 -1.2858 -0.9869 -0.9869 -0.9618 -0.9618 -0.9406 -0.9406 -0.9135 -0.9135 -0.8894 -0.8894 -0.8654 -0.8654 -0.7955 -0.7955 -0.7768 -0.7768 -0.7154 -0.7154 -0.7028 -0.7028 -0.2753 -0.2753 -0.2621 -0.2621 0.6390 0.6390 0.6473 0.6473 2.0609 2.0609 2.0634 2.0634 3.0196 3.0196 3.0372 3.0372 4.3449 4.3449 4.3516 4.3516 6.4689 6.4689 6.4911 6.4911 k = 0.5000-0.0000 0.1949 ( 8122 PWs) bands (ev): -9.1144 -9.1144 -9.1144 -9.1144 -1.9746 -1.9746 -1.9707 -1.9707 -1.6200 -1.6200 -1.5979 -1.5979 -1.4966 -1.4966 -1.4900 -1.4900 -1.4200 -1.4200 -1.4087 -1.4087 -1.3038 -1.3038 -1.2875 -1.2875 -0.9843 -0.9843 -0.9597 -0.9597 -0.9409 -0.9409 -0.9110 -0.9110 -0.8904 -0.8904 -0.8635 -0.8635 -0.7965 -0.7965 -0.7763 -0.7763 -0.7147 -0.7147 -0.7018 -0.7018 -0.2634 -0.2634 -0.2502 -0.2502 0.6033 0.6033 0.6121 0.6121 2.0605 2.0605 2.0630 2.0630 3.0333 3.0333 3.0503 3.0503 4.3949 4.3949 4.4008 4.4008 6.3805 6.3805 6.4023 6.4023 k = 0.5000-0.0000 0.1732 ( 8128 PWs) bands (ev): -9.1144 -9.1144 -9.1144 -9.1144 -1.9661 -1.9661 -1.9620 -1.9620 -1.6267 -1.6267 -1.6056 -1.6056 -1.4968 -1.4968 -1.4907 -1.4907 -1.4192 -1.4192 -1.4083 -1.4083 -1.3054 -1.3054 -1.2892 -1.2892 -0.9821 -0.9821 -0.9584 -0.9584 -0.9406 -0.9406 -0.9086 -0.9086 -0.8915 -0.8915 -0.8614 -0.8614 -0.7974 -0.7974 -0.7759 -0.7759 -0.7139 -0.7139 -0.7009 -0.7009 -0.2508 -0.2508 -0.2378 -0.2378 0.5681 0.5681 0.5772 0.5772 2.0602 2.0602 2.0626 2.0626 3.0459 3.0459 3.0618 3.0618 4.4480 4.4480 4.4530 4.4530 6.2922 6.2922 6.3132 6.3132 k = 0.5000-0.0000 0.1516 ( 8126 PWs) bands (ev): -9.1145 -9.1145 -9.1145 -9.1145 -1.9577 -1.9577 -1.9535 -1.9535 -1.6329 -1.6329 -1.6132 -1.6132 -1.4970 -1.4970 -1.4914 -1.4914 -1.4185 -1.4185 -1.4081 -1.4081 -1.3069 -1.3069 -1.2910 -1.2910 -0.9803 -0.9803 -0.9577 -0.9577 -0.9394 -0.9394 -0.9066 -0.9066 -0.8924 -0.8924 -0.8593 -0.8593 -0.7983 -0.7983 -0.7754 -0.7754 -0.7131 -0.7131 -0.6999 -0.6999 -0.2377 -0.2377 -0.2251 -0.2251 0.5340 0.5340 0.5433 0.5433 2.0598 2.0598 2.0622 2.0622 3.0572 3.0572 3.0718 3.0718 4.5032 4.5032 4.5073 4.5073 6.2055 6.2055 6.2253 6.2253 k = 0.5000-0.0000 0.1299 ( 8118 PWs) bands (ev): -9.1146 -9.1146 -9.1146 -9.1146 -1.9497 -1.9497 -1.9454 -1.9454 -1.6385 -1.6385 -1.6205 -1.6205 -1.4972 -1.4972 -1.4922 -1.4922 -1.4181 -1.4181 -1.4082 -1.4082 -1.3082 -1.3082 -1.2927 -1.2927 -0.9788 -0.9788 -0.9578 -0.9578 -0.9374 -0.9374 -0.9055 -0.9055 -0.8926 -0.8926 -0.8573 -0.8573 -0.7991 -0.7991 -0.7749 -0.7749 -0.7121 -0.7121 -0.6990 -0.6990 -0.2245 -0.2245 -0.2125 -0.2125 0.5019 0.5019 0.5113 0.5113 2.0595 2.0595 2.0618 2.0618 3.0672 3.0672 3.0802 3.0802 4.5593 4.5593 4.5627 4.5627 6.1220 6.1220 6.1403 6.1403 k = 0.5000-0.0000 0.1083 ( 8118 PWs) bands (ev): -9.1146 -9.1146 -9.1146 -9.1146 -1.9422 -1.9422 -1.9379 -1.9379 -1.6433 -1.6433 -1.6274 -1.6274 -1.4973 -1.4973 -1.4930 -1.4930 -1.4178 -1.4178 -1.4083 -1.4083 -1.3092 -1.3092 -1.2943 -1.2943 -0.9776 -0.9776 -0.9583 -0.9583 -0.9347 -0.9347 -0.9057 -0.9057 -0.8919 -0.8919 -0.8556 -0.8556 -0.7998 -0.7998 -0.7745 -0.7745 -0.7112 -0.7112 -0.6982 -0.6982 -0.2116 -0.2116 -0.2004 -0.2004 0.4726 0.4726 0.4819 0.4819 2.0592 2.0592 2.0615 2.0615 3.0757 3.0757 3.0869 3.0869 4.6142 4.6142 4.6174 4.6174 6.0437 6.0437 6.0602 6.0602 k = 0.5000-0.0000 0.0866 ( 8124 PWs) bands (ev): -9.1147 -9.1147 -9.1147 -9.1147 -1.9355 -1.9355 -1.9314 -1.9314 -1.6471 -1.6471 -1.6337 -1.6337 -1.4975 -1.4975 -1.4939 -1.4939 -1.4176 -1.4176 -1.4086 -1.4086 -1.3100 -1.3100 -1.2958 -1.2958 -0.9767 -0.9767 -0.9592 -0.9592 -0.9316 -0.9316 -0.9072 -0.9072 -0.8905 -0.8905 -0.8542 -0.8542 -0.8003 -0.8003 -0.7741 -0.7741 -0.7103 -0.7103 -0.6974 -0.6974 -0.1995 -0.1995 -0.1893 -0.1893 0.4469 0.4469 0.4560 0.4560 2.0590 2.0590 2.0612 2.0612 3.0829 3.0829 3.0921 3.0921 4.6659 4.6659 4.6692 4.6692 5.9731 5.9731 5.9872 5.9872 k = 0.5000-0.0000 0.0650 ( 8126 PWs) bands (ev): -9.1147 -9.1147 -9.1147 -9.1147 -1.9299 -1.9299 -1.9260 -1.9260 -1.6499 -1.6499 -1.6393 -1.6393 -1.4975 -1.4975 -1.4947 -1.4947 -1.4175 -1.4175 -1.4089 -1.4089 -1.3107 -1.3107 -1.2970 -1.2970 -0.9759 -0.9759 -0.9602 -0.9602 -0.9282 -0.9282 -0.9093 -0.9093 -0.8890 -0.8890 -0.8531 -0.8531 -0.8008 -0.8008 -0.7738 -0.7738 -0.7095 -0.7095 -0.6968 -0.6968 -0.1889 -0.1889 -0.1798 -0.1798 0.4256 0.4256 0.4345 0.4345 2.0588 2.0588 2.0610 2.0610 3.0888 3.0888 3.0958 3.0958 4.7116 4.7116 4.7151 4.7151 5.9129 5.9129 5.9242 5.9242 k = 0.5000-0.0000 0.0433 ( 8138 PWs) bands (ev): -9.1148 -9.1148 -9.1148 -9.1148 -1.9257 -1.9257 -1.9220 -1.9220 -1.6515 -1.6515 -1.6440 -1.6440 -1.4974 -1.4974 -1.4955 -1.4955 -1.4175 -1.4175 -1.4091 -1.4091 -1.3111 -1.3111 -1.2979 -1.2979 -0.9753 -0.9753 -0.9610 -0.9610 -0.9249 -0.9249 -0.9120 -0.9120 -0.8877 -0.8877 -0.8523 -0.8523 -0.8010 -0.8010 -0.7736 -0.7736 -0.7089 -0.7089 -0.6964 -0.6964 -0.1805 -0.1805 -0.1726 -0.1726 0.4098 0.4098 0.4183 0.4183 2.0586 2.0586 2.0608 2.0608 3.0932 3.0932 3.0980 3.0980 4.7480 4.7480 4.7519 4.7519 5.8667 5.8667 5.8747 5.8747 k = 0.5000-0.0000 0.0217 ( 8154 PWs) bands (ev): -9.1148 -9.1148 -9.1148 -9.1148 -1.9231 -1.9231 -1.9196 -1.9196 -1.6520 -1.6520 -1.6475 -1.6475 -1.4972 -1.4972 -1.4962 -1.4962 -1.4175 -1.4175 -1.4093 -1.4093 -1.3114 -1.3114 -1.2985 -1.2985 -0.9749 -0.9749 -0.9616 -0.9616 -0.9215 -0.9215 -0.9148 -0.9148 -0.8868 -0.8868 -0.8519 -0.8519 -0.8012 -0.8012 -0.7734 -0.7734 -0.7086 -0.7086 -0.6962 -0.6962 -0.1751 -0.1751 -0.1681 -0.1681 0.3999 0.3999 0.4081 0.4081 2.0585 2.0585 2.0607 2.0607 3.0963 3.0963 3.0989 3.0989 4.7718 4.7718 4.7758 4.7758 5.8380 5.8380 5.8421 5.8421 k = 0.5000-0.0000-0.0000 ( 8152 PWs) bands (ev): -9.1148 -9.1148 -9.1148 -9.1148 -1.9222 -1.9222 -1.9188 -1.9188 -1.6518 -1.6518 -1.6490 -1.6490 -1.4968 -1.4968 -1.4967 -1.4967 -1.4175 -1.4175 -1.4094 -1.4094 -1.3114 -1.3114 -1.2987 -1.2987 -0.9748 -0.9748 -0.9619 -0.9619 -0.9190 -0.9190 -0.9172 -0.9172 -0.8865 -0.8865 -0.8518 -0.8518 -0.8013 -0.8013 -0.7734 -0.7734 -0.7084 -0.7084 -0.6961 -0.6961 -0.1733 -0.1733 -0.1665 -0.1665 0.3966 0.3966 0.4047 0.4047 2.0585 2.0585 2.0607 2.0607 3.0977 3.0977 3.0988 3.0988 4.7802 4.7802 4.7841 4.7841 5.8292 5.8292 5.8298 5.8298 k = 0.0000 0.0000 0.4331 ( 8100 PWs) bands (ev): -9.1722 -9.1722 -9.0629 -9.0629 -2.1414 -2.1414 -1.9361 -1.9361 -1.6840 -1.6840 -1.5636 -1.5636 -1.5463 -1.5463 -1.4944 -1.4944 -1.4650 -1.4650 -1.3636 -1.3636 -1.3385 -1.3385 -1.1040 -1.1040 -1.0068 -1.0068 -0.9837 -0.9837 -0.9352 -0.9352 -0.9088 -0.9088 -0.8712 -0.8712 -0.8299 -0.8299 -0.7580 -0.7580 -0.7166 -0.7166 -0.6347 -0.6347 -0.5900 -0.5900 -0.2873 -0.2873 0.0001 0.0001 0.2403 0.2403 0.8529 0.8529 1.9240 1.9240 2.1611 2.1611 2.4512 2.4512 3.2610 3.2610 4.2656 4.2656 4.6374 4.6374 5.4191 5.4191 6.4132 6.4132 k = 0.0217-0.0000 0.4331 ( 8106 PWs) bands (ev): -9.1720 -9.1720 -9.0630 -9.0630 -2.1412 -2.1411 -1.9362 -1.9362 -1.6840 -1.6839 -1.5644 -1.5627 -1.5468 -1.5450 -1.4944 -1.4941 -1.4653 -1.4647 -1.3640 -1.3633 -1.3386 -1.3383 -1.1044 -1.1040 -1.0072 -1.0063 -0.9843 -0.9830 -0.9356 -0.9351 -0.9090 -0.9087 -0.8715 -0.8714 -0.8298 -0.8297 -0.7596 -0.7572 -0.7176 -0.7161 -0.6354 -0.6354 -0.5923 -0.5897 -0.2867 -0.2845 -0.0132 -0.0084 0.2505 0.2544 0.8509 0.8511 1.9243 1.9246 2.1609 2.1610 2.4538 2.4538 3.2616 3.2617 4.2607 4.2607 4.6301 4.6311 5.4288 5.4301 6.4198 6.4201 k = 0.0435-0.0000 0.4331 ( 8100 PWs) bands (ev): -9.1716 -9.1716 -9.0633 -9.0633 -2.1404 -2.1402 -1.9367 -1.9366 -1.6840 -1.6837 -1.5650 -1.5616 -1.5464 -1.5430 -1.4941 -1.4936 -1.4656 -1.4643 -1.3645 -1.3631 -1.3385 -1.3378 -1.1053 -1.1045 -1.0073 -1.0057 -0.9850 -0.9824 -0.9363 -0.9353 -0.9092 -0.9086 -0.8722 -0.8720 -0.8295 -0.8293 -0.7620 -0.7571 -0.7190 -0.7159 -0.6376 -0.6374 -0.5962 -0.5916 -0.2826 -0.2784 -0.0425 -0.0345 0.2807 0.2868 0.8451 0.8456 1.9254 1.9261 2.1603 2.1606 2.4613 2.4614 3.2634 3.2638 4.2462 4.2463 4.6101 4.6120 5.4583 5.4607 6.4395 6.4402 k = 0.0652-0.0000 0.4331 ( 8108 PWs) bands (ev): -9.1709 -9.1709 -9.0639 -9.0639 -2.1391 -2.1388 -1.9374 -1.9373 -1.6837 -1.6833 -1.5651 -1.5606 -1.5450 -1.5405 -1.4935 -1.4927 -1.4659 -1.4639 -1.3650 -1.3630 -1.3381 -1.3372 -1.1068 -1.1055 -1.0072 -1.0051 -0.9857 -0.9818 -0.9373 -0.9359 -0.9095 -0.9086 -0.8732 -0.8729 -0.8289 -0.8287 -0.7651 -0.7578 -0.7207 -0.7162 -0.6413 -0.6407 -0.6012 -0.5952 -0.2756 -0.2697 -0.0794 -0.0695 0.3221 0.3292 0.8361 0.8368 1.9274 1.9283 2.1594 2.1597 2.4735 2.4736 3.2664 3.2669 4.2231 4.2232 4.5806 4.5832 5.5044 5.5078 6.4716 6.4726 k = 0.0870-0.0000 0.4331 ( 8114 PWs) bands (ev): -9.1699 -9.1699 -9.0646 -9.0646 -2.1373 -2.1369 -1.9383 -1.9382 -1.6833 -1.6826 -1.5649 -1.5597 -1.5428 -1.5375 -1.4928 -1.4916 -1.4663 -1.4634 -1.3656 -1.3631 -1.3375 -1.3364 -1.1089 -1.1070 -1.0069 -1.0045 -0.9862 -0.9812 -0.9386 -0.9369 -0.9098 -0.9087 -0.8748 -0.8741 -0.8282 -0.8278 -0.7689 -0.7592 -0.7228 -0.7170 -0.6468 -0.6454 -0.6066 -0.6003 -0.2660 -0.2589 -0.1188 -0.1076 0.3691 0.3764 0.8243 0.8252 1.9302 1.9313 2.1580 2.1585 2.4899 2.4900 3.2702 3.2709 4.1928 4.1929 4.5449 4.5479 5.5638 5.5679 6.5148 6.5161 k = 0.1087-0.0000 0.4331 ( 8122 PWs) bands (ev): -9.1686 -9.1686 -9.0656 -9.0656 -2.1351 -2.1345 -1.9393 -1.9393 -1.6825 -1.6817 -1.5644 -1.5588 -1.5399 -1.5343 -1.4919 -1.4902 -1.4667 -1.4630 -1.3662 -1.3634 -1.3366 -1.3354 -1.1117 -1.1091 -1.0064 -1.0042 -0.9864 -0.9807 -0.9402 -0.9382 -0.9100 -0.9088 -0.8767 -0.8757 -0.8274 -0.8266 -0.7734 -0.7614 -0.7251 -0.7183 -0.6537 -0.6514 -0.6119 -0.6062 -0.2549 -0.2468 -0.1579 -0.1460 0.4184 0.4257 0.8105 0.8117 1.9336 1.9351 2.1564 2.1570 2.5099 2.5100 3.2745 3.2753 4.1570 4.1572 4.5060 4.5092 5.6333 5.6380 6.5676 6.5692 k = 0.1304-0.0000 0.4331 ( 8118 PWs) bands (ev): -9.1671 -9.1671 -9.0668 -9.0668 -2.1324 -2.1317 -1.9405 -1.9405 -1.6812 -1.6803 -1.5635 -1.5578 -1.5366 -1.5309 -1.4909 -1.4886 -1.4672 -1.4624 -1.3667 -1.3639 -1.3354 -1.3343 -1.1152 -1.1119 -1.0055 -1.0043 -0.9861 -0.9802 -0.9420 -0.9399 -0.9102 -0.9088 -0.8790 -0.8776 -0.8265 -0.8254 -0.7785 -0.7643 -0.7277 -0.7203 -0.6617 -0.6587 -0.6169 -0.6124 -0.2431 -0.2344 -0.1951 -0.1827 0.4682 0.4753 0.7957 0.7972 1.9378 1.9395 2.1543 2.1551 2.5328 2.5329 3.2786 3.2796 4.1178 4.1179 4.4661 4.4695 5.7102 5.7153 6.6283 6.6301 k = 0.1522-0.0000 0.4331 ( 8128 PWs) bands (ev): -9.1653 -9.1653 -9.0682 -9.0682 -2.1294 -2.1287 -1.9418 -1.9418 -1.6794 -1.6783 -1.5623 -1.5567 -1.5330 -1.5275 -1.4899 -1.4869 -1.4678 -1.4620 -1.3673 -1.3646 -1.3339 -1.3330 -1.1197 -1.1155 -1.0049 -1.0044 -0.9853 -0.9797 -0.9440 -0.9419 -0.9104 -0.9089 -0.8816 -0.8798 -0.8256 -0.8239 -0.7840 -0.7678 -0.7306 -0.7228 -0.6703 -0.6670 -0.6218 -0.6187 -0.2373 -0.2251 -0.2237 -0.2142 0.5173 0.5241 0.7810 0.7826 1.9426 1.9445 2.1519 2.1528 2.5577 2.5578 3.2818 3.2830 4.0773 4.0773 4.4271 4.4305 5.7926 5.7981 6.6951 6.6970 k = 0.1739-0.0000 0.4331 ( 8132 PWs) bands (ev): -9.1633 -9.1633 -9.0698 -9.0698 -2.1261 -2.1252 -1.9432 -1.9432 -1.6769 -1.6757 -1.5609 -1.5554 -1.5294 -1.5242 -1.4888 -1.4851 -1.4685 -1.4615 -1.3679 -1.3653 -1.3321 -1.3315 -1.1253 -1.1200 -1.0060 -1.0031 -0.9840 -0.9792 -0.9462 -0.9442 -0.9106 -0.9089 -0.8845 -0.8821 -0.8250 -0.8224 -0.7897 -0.7720 -0.7338 -0.7260 -0.6789 -0.6760 -0.6265 -0.6249 -0.2643 -0.2502 -0.2171 -0.2092 0.5647 0.5711 0.7674 0.7693 1.9480 1.9500 2.1491 2.1501 2.5840 2.5840 3.2832 3.2845 4.0377 4.0377 4.3902 4.3936 5.8788 5.8846 6.7661 6.7683 k = 0.1957-0.0000 0.4331 ( 8130 PWs) bands (ev): -9.1610 -9.1610 -9.0716 -9.0716 -2.1225 -2.1216 -1.9448 -1.9447 -1.6736 -1.6722 -1.5592 -1.5539 -1.5258 -1.5211 -1.4877 -1.4833 -1.4694 -1.4611 -1.3684 -1.3662 -1.3301 -1.3299 -1.1319 -1.1256 -1.0075 -1.0014 -0.9823 -0.9788 -0.9486 -0.9466 -0.9107 -0.9088 -0.8875 -0.8846 -0.8250 -0.8209 -0.7950 -0.7767 -0.7371 -0.7298 -0.6871 -0.6854 -0.6312 -0.6311 -0.2923 -0.2782 -0.2074 -0.1996 0.6092 0.6151 0.7565 0.7586 1.9539 1.9561 2.1460 2.1471 2.6108 2.6109 3.2817 3.2830 4.0012 4.0012 4.3561 4.3594 5.9676 5.9736 6.8397 6.8419 k = 0.2174-0.0000 0.4331 ( 8118 PWs) bands (ev): -9.1585 -9.1585 -9.0736 -9.0736 -2.1186 -2.1176 -1.9467 -1.9465 -1.6693 -1.6677 -1.5572 -1.5522 -1.5223 -1.5184 -1.4867 -1.4816 -1.4705 -1.4608 -1.3688 -1.3670 -1.3282 -1.3279 -1.1397 -1.1325 -1.0091 -0.9995 -0.9804 -0.9785 -0.9510 -0.9490 -0.9108 -0.9086 -0.8905 -0.8872 -0.8261 -0.8195 -0.7991 -0.7817 -0.7408 -0.7341 -0.6946 -0.6946 -0.6372 -0.6359 -0.3170 -0.3027 -0.1996 -0.1920 0.6491 0.6542 0.7506 0.7525 1.9602 1.9626 2.1424 2.1437 2.6376 2.6377 3.2760 3.2773 3.9700 3.9701 4.3253 4.3285 6.0578 6.0641 6.9137 6.9161 k = 0.2391-0.0000 0.4331 ( 8124 PWs) bands (ev): -9.1558 -9.1558 -9.0758 -9.0758 -2.1145 -2.1134 -1.9490 -1.9487 -1.6639 -1.6621 -1.5551 -1.5504 -1.5191 -1.5161 -1.4857 -1.4803 -1.4716 -1.4607 -1.3692 -1.3679 -1.3263 -1.3256 -1.1488 -1.1407 -1.0107 -0.9974 -0.9786 -0.9783 -0.9533 -0.9511 -0.9111 -0.9082 -0.8936 -0.8897 -0.8290 -0.8184 -0.8015 -0.7868 -0.7446 -0.7389 -0.7033 -0.7013 -0.6432 -0.6408 -0.3378 -0.3237 -0.1945 -0.1873 0.6812 0.6846 0.7536 0.7544 1.9670 1.9695 2.1385 2.1399 2.6637 2.6639 3.2651 3.2665 3.9459 3.9460 4.2981 4.3012 6.1485 6.1550 6.9861 6.9887 k = 0.2609-0.0000 0.4331 ( 8132 PWs) bands (ev): -9.1529 -9.1529 -9.0782 -9.0782 -2.1100 -2.1089 -1.9517 -1.9514 -1.6573 -1.6553 -1.5527 -1.5483 -1.5162 -1.5145 -1.4848 -1.4798 -1.4724 -1.4607 -1.3697 -1.3689 -1.3244 -1.3232 -1.1592 -1.1502 -1.0122 -0.9952 -0.9784 -0.9775 -0.9554 -0.9525 -0.9113 -0.9078 -0.8964 -0.8920 -0.8336 -0.8179 -0.8019 -0.7916 -0.7485 -0.7439 -0.7114 -0.7071 -0.6493 -0.6457 -0.3549 -0.3410 -0.1926 -0.1859 0.7015 0.7022 0.7685 0.7697 1.9742 1.9767 2.1342 2.1357 2.6888 2.6891 3.2485 3.2498 3.9302 3.9303 4.2745 4.2774 6.2388 6.2456 7.0546 7.0576 k = 0.2826-0.0000 0.4331 ( 8134 PWs) bands (ev): -9.1499 -9.1498 -9.0807 -9.0807 -2.1052 -2.1040 -1.9552 -1.9547 -1.6495 -1.6472 -1.5502 -1.5461 -1.5137 -1.5134 -1.4839 -1.4807 -1.4721 -1.4608 -1.3702 -1.3700 -1.3224 -1.3206 -1.1707 -1.1612 -1.0135 -0.9929 -0.9787 -0.9776 -0.9569 -0.9527 -0.9116 -0.9075 -0.8988 -0.8940 -0.8393 -0.8185 -0.8010 -0.7955 -0.7525 -0.7488 -0.7184 -0.7122 -0.6554 -0.6508 -0.3681 -0.3546 -0.1943 -0.1879 0.7119 0.7130 0.7917 0.7941 1.9816 1.9843 2.1295 2.1311 2.7126 2.7129 3.2262 3.2274 3.9233 3.9234 4.2543 4.2570 6.3278 6.3349 7.1166 7.1200 k = 0.3043-0.0000 0.4331 ( 8134 PWs) bands (ev): -9.1466 -9.1466 -9.0835 -9.0835 -2.1000 -2.0988 -1.9595 -1.9589 -1.6405 -1.6379 -1.5474 -1.5437 -1.5130 -1.5116 -1.4830 -1.4828 -1.4710 -1.4608 -1.3714 -1.3710 -1.3203 -1.3179 -1.1833 -1.1734 -1.0144 -0.9908 -0.9794 -0.9789 -0.9577 -0.9514 -0.9118 -0.9078 -0.9001 -0.8956 -0.8455 -0.8210 -0.7992 -0.7978 -0.7564 -0.7536 -0.7243 -0.7165 -0.6615 -0.6560 -0.3778 -0.3648 -0.1994 -0.1934 0.7208 0.7227 0.8166 0.8192 1.9894 1.9921 2.1244 2.1262 2.7349 2.7353 3.1988 3.1999 3.9247 3.9247 4.2370 4.2395 6.4149 6.4222 7.1690 7.1730 k = 0.3261-0.0000 0.4331 ( 8138 PWs) bands (ev): -9.1433 -9.1433 -9.0864 -9.0863 -2.0943 -2.0931 -1.9646 -1.9639 -1.6303 -1.6274 -1.5446 -1.5411 -1.5132 -1.5100 -1.4855 -1.4822 -1.4694 -1.4606 -1.3732 -1.3723 -1.3181 -1.3151 -1.1966 -1.1866 -1.0149 -0.9889 -0.9812 -0.9805 -0.9574 -0.9490 -0.9121 -0.9092 -0.8998 -0.8970 -0.8518 -0.8253 -0.7984 -0.7969 -0.7602 -0.7579 -0.7289 -0.7199 -0.6677 -0.6614 -0.3840 -0.3716 -0.2078 -0.2021 0.7317 0.7340 0.8393 0.8418 1.9974 2.0001 2.1190 2.1208 2.7559 2.7564 3.1676 3.1685 3.9334 3.9335 4.2221 4.2244 6.4992 6.5068 7.2088 7.2137 k = 0.3478-0.0000 0.4331 ( 8136 PWs) bands (ev): -9.1398 -9.1398 -9.0894 -9.0894 -2.0881 -2.0868 -1.9706 -1.9698 -1.6193 -1.6159 -1.5417 -1.5384 -1.5138 -1.5091 -1.4883 -1.4818 -1.4674 -1.4600 -1.3758 -1.3745 -1.3157 -1.3121 -1.2105 -1.2005 -1.0150 -0.9875 -0.9842 -0.9817 -0.9562 -0.9458 -0.9123 -0.9114 -0.8983 -0.8979 -0.8579 -0.8307 -0.7979 -0.7945 -0.7639 -0.7618 -0.7321 -0.7224 -0.6739 -0.6669 -0.3869 -0.3751 -0.2192 -0.2137 0.7452 0.7477 0.8583 0.8604 2.0055 2.0083 2.1131 2.1151 2.7757 2.7762 3.1340 3.1347 3.9481 3.9482 4.2090 4.2111 6.5803 6.5882 7.2333 7.2394 k = 0.3696-0.0000 0.4331 ( 8130 PWs) bands (ev): -9.1362 -9.1362 -9.0926 -9.0926 -2.0814 -2.0801 -1.9775 -1.9766 -1.6078 -1.6037 -1.5390 -1.5356 -1.5144 -1.5088 -1.4910 -1.4817 -1.4649 -1.4587 -1.3795 -1.3777 -1.3130 -1.3089 -1.2243 -1.2145 -1.0147 -0.9875 -0.9866 -0.9829 -0.9541 -0.9422 -0.9140 -0.9125 -0.8984 -0.8960 -0.8638 -0.8367 -0.7968 -0.7920 -0.7674 -0.7653 -0.7338 -0.7239 -0.6801 -0.6726 -0.3868 -0.3757 -0.2330 -0.2275 0.7610 0.7636 0.8729 0.8747 2.0138 2.0166 2.1070 2.1091 2.7946 2.7952 3.0993 3.0998 3.9672 3.9674 4.1969 4.1987 6.6577 6.6658 7.2410 7.2483 k = 0.3913-0.0000 0.4331 ( 8120 PWs) bands (ev): -9.1326 -9.1326 -9.0959 -9.0959 -2.0741 -2.0728 -1.9851 -1.9841 -1.5960 -1.5912 -1.5371 -1.5330 -1.5143 -1.5093 -1.4933 -1.4821 -1.4619 -1.4565 -1.3845 -1.3824 -1.3101 -1.3054 -1.2377 -1.2283 -1.0140 -0.9908 -0.9861 -0.9838 -0.9513 -0.9385 -0.9167 -0.9128 -0.8985 -0.8931 -0.8693 -0.8429 -0.7955 -0.7896 -0.7709 -0.7684 -0.7339 -0.7241 -0.6863 -0.6784 -0.3837 -0.3733 -0.2485 -0.2431 0.7787 0.7812 0.8829 0.8842 2.0222 2.0250 2.1005 2.1027 2.8131 2.8137 3.0646 3.0649 3.9893 3.9896 4.1849 4.1865 6.7310 6.7394 7.2326 7.2411 k = 0.4130-0.0000 0.4331 ( 8128 PWs) bands (ev): -9.1289 -9.1289 -9.0993 -9.0993 -2.0663 -2.0650 -1.9935 -1.9924 -1.5847 -1.5790 -1.5366 -1.5310 -1.5127 -1.5100 -1.4952 -1.4832 -1.4579 -1.4532 -1.3910 -1.3887 -1.3067 -1.3016 -1.2503 -1.2413 -1.0130 -0.9941 -0.9861 -0.9845 -0.9481 -0.9347 -0.9197 -0.9136 -0.8981 -0.8897 -0.8744 -0.8491 -0.7940 -0.7875 -0.7743 -0.7711 -0.7326 -0.7231 -0.6925 -0.6844 -0.3780 -0.3683 -0.2653 -0.2597 0.7974 0.7997 0.8883 0.8891 2.0306 2.0334 2.0936 2.0959 2.8315 2.8321 3.0309 3.0310 4.0132 4.0136 4.1724 4.1738 6.8002 6.8089 7.2104 7.2197 k = 0.4348-0.0000 0.4331 ( 8126 PWs) bands (ev): -9.1251 -9.1251 -9.1028 -9.1028 -2.0580 -2.0567 -2.0024 -2.0013 -1.5743 -1.5675 -1.5380 -1.5305 -1.5100 -1.5093 -1.4969 -1.4849 -1.4528 -1.4486 -1.3990 -1.3965 -1.3029 -1.2973 -1.2617 -1.2531 -1.0116 -0.9972 -0.9863 -0.9849 -0.9445 -0.9310 -0.9228 -0.9147 -0.8970 -0.8859 -0.8791 -0.8552 -0.7923 -0.7855 -0.7775 -0.7736 -0.7299 -0.7208 -0.6987 -0.6904 -0.3697 -0.3607 -0.2826 -0.2767 0.8162 0.8183 0.8890 0.8893 2.0389 2.0417 2.0865 2.0889 2.8505 2.8511 2.9988 2.9989 4.0377 4.0382 4.1587 4.1599 6.8654 6.8745 7.1774 7.1872 k = 0.4565-0.0000 0.4331 ( 8120 PWs) bands (ev): -9.1214 -9.1213 -9.1064 -9.1064 -2.0492 -2.0479 -2.0117 -2.0105 -1.5650 -1.5573 -1.5410 -1.5323 -1.5085 -1.5046 -1.4986 -1.4874 -1.4462 -1.4424 -1.4083 -1.4057 -1.2985 -1.2924 -1.2716 -1.2636 -1.0098 -1.0002 -0.9864 -0.9853 -0.9407 -0.9275 -0.9261 -0.9164 -0.8953 -0.8833 -0.8816 -0.8611 -0.7905 -0.7837 -0.7806 -0.7759 -0.7262 -0.7174 -0.7049 -0.6964 -0.3592 -0.3509 -0.2998 -0.2937 0.8344 0.8362 0.8852 0.8854 2.0472 2.0500 2.0791 2.0815 2.8705 2.8711 2.9687 2.9689 4.0619 4.0625 4.1433 4.1444 6.9268 6.9362 7.1366 7.1465 k = 0.4783-0.0000 0.4331 ( 8124 PWs) bands (ev): -9.1176 -9.1176 -9.1101 -9.1101 -2.0400 -2.0388 -2.0211 -2.0199 -1.5572 -1.5487 -1.5452 -1.5361 -1.5060 -1.5007 -1.4995 -1.4907 -1.4380 -1.4346 -1.4184 -1.4156 -1.2933 -1.2868 -1.2801 -1.2726 -1.0078 -1.0029 -0.9863 -0.9857 -0.9369 -0.9296 -0.9242 -0.9186 -0.8931 -0.8870 -0.8770 -0.8667 -0.7884 -0.7835 -0.7819 -0.7780 -0.7216 -0.7130 -0.7108 -0.7023 -0.3466 -0.3389 -0.3165 -0.3100 0.8511 0.8525 0.8771 0.8777 2.0555 2.0581 2.0714 2.0740 2.8920 2.8925 2.9409 2.9412 4.0850 4.0857 4.1259 4.1269 6.9847 6.9943 7.0900 7.1000 k = 0.5000-0.0000 0.4331 ( 8132 PWs) bands (ev): -9.1138 -9.1138 -9.1138 -9.1138 -2.0307 -2.0307 -2.0294 -2.0294 -1.5506 -1.5506 -1.5416 -1.5416 -1.5032 -1.5032 -1.4948 -1.4948 -1.4286 -1.4286 -1.4255 -1.4255 -1.2872 -1.2872 -1.2803 -1.2803 -1.0055 -1.0055 -0.9861 -0.9861 -0.9332 -0.9332 -0.9212 -0.9212 -0.8903 -0.8903 -0.8721 -0.8721 -0.7861 -0.7861 -0.7800 -0.7800 -0.7165 -0.7165 -0.7079 -0.7079 -0.3323 -0.3323 -0.3252 -0.3252 0.8656 0.8656 0.8666 0.8666 2.0635 2.0635 2.0661 2.0661 2.9154 2.9154 2.9158 2.9158 4.1064 4.1064 4.1072 4.1072 7.0392 7.0392 7.0490 7.0490 Writing output data file Ag2S.save init_run : 2.56s CPU 13.66s WALL ( 1 calls) electrons : 875.10s CPU 885.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.33s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 875.06s CPU 885.06s WALL ( 1 calls) v_of_rho : 0.16s CPU 1.01s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.14s CPU 0.60s WALL ( 1 calls) newd : 0.59s CPU 0.70s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.20s WALL ( 236 calls) cegterg : 761.56s CPU 767.72s WALL ( 350 calls) Called by sum_band: Called by *egterg: h_psi : 405.70s CPU 410.62s WALL ( 5756 calls) s_psi : 44.65s CPU 44.80s WALL ( 5756 calls) g_psi : 0.96s CPU 0.95s WALL ( 5170 calls) cdiaghg : 219.62s CPU 218.55s WALL ( 5406 calls) cegterg:over : 68.55s CPU 67.49s WALL ( 5170 calls) cegterg:upda : 22.30s CPU 23.75s WALL ( 5170 calls) cegterg:last : 18.19s CPU 18.63s WALL ( 1058 calls) Called by h_psi: h_psi:vloc : 321.81s CPU 325.16s WALL ( 5756 calls) h_psi:vnl : 83.43s CPU 84.56s WALL ( 5756 calls) add_vuspsi : 33.66s CPU 35.58s WALL ( 5756 calls) General routines calbec : 49.75s CPU 48.90s WALL ( 5756 calls) fft : 0.28s CPU 1.20s WALL ( 15 calls) fftw : 311.79s CPU 313.79s WALL ( 934216 calls) davcio : 0.08s CPU 6.01s WALL ( 472 calls) Parallel routines fft_scatter : 211.87s CPU 210.80s WALL ( 934231 calls) PWSCF : 16m 5.38s CPU 21m 1.93s WALL This run was terminated on: 13:57:20 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=