Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:18:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Sr.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 24 7 1292 600 95 Max 41 25 8 1298 628 99 Sum 1449 887 257 46575 22139 3501 bravais-lattice index = 14 lattice parameter (alat) = 10.0218 a.u. unit-cell volume = 646.7268 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.021839 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.139320 celldm(5)= -0.139320 celldm(6)= -0.721360 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.721360 0.692561 0.000000 ) a(3) = ( -0.139320 -0.346280 0.927728 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.041584 0.538951 ) b(2) = ( 0.000000 1.443917 0.538951 ) b(3) = ( 0.000000 0.000000 1.077902 ) PseudoPot. # 1 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Sr 10.00 87.62000 Sr( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.8606799 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( -0.3462803 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.1393201 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.3462803 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 323 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0000000 0.0000000 0.0168422), wk = 0.0030960 k( 3) = ( 0.0000000 0.0000000 0.0336844), wk = 0.0030960 k( 4) = ( 0.0000000 0.0000000 0.0505266), wk = 0.0030960 k( 5) = ( 0.0000000 0.0000000 0.0673689), wk = 0.0030960 k( 6) = ( 0.0000000 0.0000000 0.0842111), wk = 0.0030960 k( 7) = ( 0.0000000 0.0000000 0.1010533), wk = 0.0030960 k( 8) = ( 0.0000000 0.0000000 0.1178955), wk = 0.0030960 k( 9) = ( 0.0000000 0.0000000 0.1347377), wk = 0.0030960 k( 10) = ( 0.0000000 0.0000000 0.1515799), wk = 0.0030960 k( 11) = ( 0.0000000 0.0000000 0.1684221), wk = 0.0030960 k( 12) = ( 0.0000000 0.0000000 0.1852644), wk = 0.0030960 k( 13) = ( 0.0000000 0.0000000 0.2021066), wk = 0.0030960 k( 14) = ( 0.0000000 0.0000000 0.2189488), wk = 0.0030960 k( 15) = ( 0.0000000 0.0000000 0.2357910), wk = 0.0030960 k( 16) = ( 0.0000000 0.0000000 0.2526332), wk = 0.0030960 k( 17) = ( 0.0000000 0.0000000 0.2694754), wk = 0.0030960 k( 18) = ( 0.0000000 0.0000000 0.2863176), wk = 0.0030960 k( 19) = ( 0.0000000 0.0000000 0.3031599), wk = 0.0030960 k( 20) = ( 0.0000000 0.0000000 0.3200021), wk = 0.0030960 k( 21) = ( 0.0000000 0.0000000 0.3368443), wk = 0.0030960 k( 22) = ( 0.0000000 0.0000000 0.3536865), wk = 0.0030960 k( 23) = ( 0.0000000 0.0000000 0.3705287), wk = 0.0030960 k( 24) = ( 0.0000000 0.0000000 0.3873709), wk = 0.0030960 k( 25) = ( 0.0000000 0.0000000 0.4042132), wk = 0.0030960 k( 26) = ( 0.0000000 0.0000000 0.4210554), wk = 0.0030960 k( 27) = ( 0.0000000 0.0000000 0.4378976), wk = 0.0030960 k( 28) = ( 0.0000000 0.0000000 0.4547398), wk = 0.0030960 k( 29) = ( 0.0000000 0.0000000 0.4715820), wk = 0.0030960 k( 30) = ( 0.0000000 0.0000000 0.4884242), wk = 0.0030960 k( 31) = ( 0.0000000 0.0000000 0.5052664), wk = 0.0030960 k( 32) = ( 0.0000000 0.0000000 0.5221087), wk = 0.0030960 k( 33) = ( 0.0000000 0.0000000 0.5389509), wk = 0.0030960 k( 34) = ( 0.0000000 0.0000000 0.5389509), wk = 0.0030960 k( 35) = ( -0.0156250 0.0062865 0.5389509), wk = 0.0030960 k( 36) = ( -0.0312500 0.0125729 0.5389509), wk = 0.0030960 k( 37) = ( -0.0468750 0.0188594 0.5389509), wk = 0.0030960 k( 38) = ( -0.0625000 0.0251458 0.5389509), wk = 0.0030960 k( 39) = ( -0.0781250 0.0314323 0.5389509), wk = 0.0030960 k( 40) = ( -0.0937500 0.0377188 0.5389509), wk = 0.0030960 k( 41) = ( -0.1093750 0.0440052 0.5389509), wk = 0.0030960 k( 42) = ( -0.1250000 0.0502917 0.5389509), wk = 0.0030960 k( 43) = ( -0.1406250 0.0565781 0.5389509), wk = 0.0030960 k( 44) = ( -0.1562500 0.0628646 0.5389509), wk = 0.0030960 k( 45) = ( -0.1718750 0.0691511 0.5389509), wk = 0.0030960 k( 46) = ( -0.1875000 0.0754375 0.5389509), wk = 0.0030960 k( 47) = ( -0.2031250 0.0817240 0.5389509), wk = 0.0030960 k( 48) = ( -0.2187500 0.0880104 0.5389509), wk = 0.0030960 k( 49) = ( -0.2343750 0.0942969 0.5389509), wk = 0.0030960 k( 50) = ( -0.2500000 0.1005833 0.5389509), wk = 0.0030960 k( 51) = ( -0.2656250 0.1068698 0.5389509), wk = 0.0030960 k( 52) = ( -0.2812500 0.1131563 0.5389509), wk = 0.0030960 k( 53) = ( -0.2968750 0.1194427 0.5389509), wk = 0.0030960 k( 54) = ( -0.3125000 0.1257292 0.5389509), wk = 0.0030960 k( 55) = ( -0.3281250 0.1320156 0.5389509), wk = 0.0030960 k( 56) = ( -0.3437500 0.1383021 0.5389509), wk = 0.0030960 k( 57) = ( -0.3593750 0.1445886 0.5389509), wk = 0.0030960 k( 58) = ( -0.3750000 0.1508750 0.5389509), wk = 0.0030960 k( 59) = ( -0.3906250 0.1571615 0.5389509), wk = 0.0030960 k( 60) = ( -0.4062500 0.1634479 0.5389509), wk = 0.0030960 k( 61) = ( -0.4218750 0.1697344 0.5389509), wk = 0.0030960 k( 62) = ( -0.4375000 0.1760209 0.5389509), wk = 0.0030960 k( 63) = ( -0.4531250 0.1823073 0.5389509), wk = 0.0030960 k( 64) = ( -0.4687500 0.1885938 0.5389509), wk = 0.0030960 k( 65) = ( -0.4843750 0.1948802 0.5389509), wk = 0.0030960 k( 66) = ( -0.5000000 0.2011667 0.5389509), wk = 0.0030960 k( 67) = ( -0.5000000 0.2011667 0.5389509), wk = 0.0030960 k( 68) = ( -0.4891304 0.1967935 0.5272345), wk = 0.0030960 k( 69) = ( -0.4782609 0.1924203 0.5155182), wk = 0.0030960 k( 70) = ( -0.4673913 0.1880471 0.5038019), wk = 0.0030960 k( 71) = ( -0.4565217 0.1836739 0.4920856), wk = 0.0030960 k( 72) = ( -0.4456522 0.1793007 0.4803692), wk = 0.0030960 k( 73) = ( -0.4347826 0.1749276 0.4686529), wk = 0.0030960 k( 74) = ( -0.4239130 0.1705544 0.4569366), wk = 0.0030960 k( 75) = ( -0.4130435 0.1661812 0.4452203), wk = 0.0030960 k( 76) = ( -0.4021739 0.1618080 0.4335040), wk = 0.0030960 k( 77) = ( -0.3913044 0.1574348 0.4217876), wk = 0.0030960 k( 78) = ( -0.3804348 0.1530616 0.4100713), wk = 0.0030960 k( 79) = ( -0.3695652 0.1486884 0.3983550), wk = 0.0030960 k( 80) = ( -0.3586956 0.1443152 0.3866387), wk = 0.0030960 k( 81) = ( -0.3478261 0.1399421 0.3749223), wk = 0.0030960 k( 82) = ( -0.3369565 0.1355689 0.3632060), wk = 0.0030960 k( 83) = ( -0.3260870 0.1311957 0.3514897), wk = 0.0030960 k( 84) = ( -0.3152174 0.1268225 0.3397734), wk = 0.0030960 k( 85) = ( -0.3043478 0.1224493 0.3280571), wk = 0.0030960 k( 86) = ( -0.2934783 0.1180761 0.3163407), wk = 0.0030960 k( 87) = ( -0.2826087 0.1137029 0.3046244), wk = 0.0030960 k( 88) = ( -0.2717391 0.1093297 0.2929081), wk = 0.0030960 k( 89) = ( -0.2608696 0.1049565 0.2811918), wk = 0.0030960 k( 90) = ( -0.2500000 0.1005833 0.2694754), wk = 0.0030960 k( 91) = ( -0.2391304 0.0962102 0.2577591), wk = 0.0030960 k( 92) = ( -0.2282609 0.0918370 0.2460428), wk = 0.0030960 k( 93) = ( -0.2173913 0.0874638 0.2343265), wk = 0.0030960 k( 94) = ( -0.2065217 0.0830906 0.2226101), wk = 0.0030960 k( 95) = ( -0.1956522 0.0787174 0.2108938), wk = 0.0030960 k( 96) = ( -0.1847826 0.0743442 0.1991775), wk = 0.0030960 k( 97) = ( -0.1739130 0.0699710 0.1874612), wk = 0.0030960 k( 98) = ( -0.1630435 0.0655978 0.1757449), wk = 0.0030960 k( 99) = ( -0.1521739 0.0612246 0.1640285), wk = 0.0030960 k( 100) = ( -0.1413043 0.0568515 0.1523122), wk = 0.0030960 k( 101) = ( -0.1304348 0.0524783 0.1405959), wk = 0.0030960 k( 102) = ( -0.1195652 0.0481051 0.1288796), wk = 0.0030960 k( 103) = ( -0.1086957 0.0437319 0.1171632), wk = 0.0030960 k( 104) = ( -0.0978261 0.0393587 0.1054469), wk = 0.0030960 k( 105) = ( -0.0869565 0.0349855 0.0937306), wk = 0.0030960 k( 106) = ( -0.0760870 0.0306123 0.0820143), wk = 0.0030960 k( 107) = ( -0.0652174 0.0262391 0.0702979), wk = 0.0030960 k( 108) = ( -0.0543478 0.0218659 0.0585816), wk = 0.0030960 k( 109) = ( -0.0434783 0.0174928 0.0468653), wk = 0.0030960 k( 110) = ( -0.0326087 0.0131196 0.0351490), wk = 0.0030960 k( 111) = ( -0.0217391 0.0087464 0.0234326), wk = 0.0030960 k( 112) = ( -0.0108696 0.0043732 0.0117163), wk = 0.0030960 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 115) = ( 0.0062441 0.0155197 0.0000000), wk = 0.0030960 k( 116) = ( 0.0124881 0.0310393 0.0000000), wk = 0.0030960 k( 117) = ( 0.0187322 0.0465590 0.0000000), wk = 0.0030960 k( 118) = ( 0.0249763 0.0620786 0.0000000), wk = 0.0030960 k( 119) = ( 0.0312204 0.0775983 0.0000000), wk = 0.0030960 k( 120) = ( 0.0374645 0.0931179 0.0000000), wk = 0.0030960 k( 121) = ( 0.0437085 0.1086376 0.0000000), wk = 0.0030960 k( 122) = ( 0.0499526 0.1241573 0.0000000), wk = 0.0030960 k( 123) = ( 0.0561967 0.1396769 0.0000000), wk = 0.0030960 k( 124) = ( 0.0624408 0.1551966 0.0000000), wk = 0.0030960 k( 125) = ( 0.0686849 0.1707163 0.0000000), wk = 0.0030960 k( 126) = ( 0.0749289 0.1862359 0.0000000), wk = 0.0030960 k( 127) = ( 0.0811730 0.2017556 0.0000000), wk = 0.0030960 k( 128) = ( 0.0874171 0.2172752 0.0000000), wk = 0.0030960 k( 129) = ( 0.0936611 0.2327949 0.0000000), wk = 0.0030960 k( 130) = ( 0.0999052 0.2483145 0.0000000), wk = 0.0030960 k( 131) = ( 0.1061493 0.2638342 0.0000000), wk = 0.0030960 k( 132) = ( 0.1123934 0.2793539 0.0000000), wk = 0.0030960 k( 133) = ( 0.1186375 0.2948735 0.0000000), wk = 0.0030960 k( 134) = ( 0.1248815 0.3103932 0.0000000), wk = 0.0030960 k( 135) = ( 0.1311256 0.3259128 0.0000000), wk = 0.0030960 k( 136) = ( 0.1373697 0.3414325 0.0000000), wk = 0.0030960 k( 137) = ( 0.1436138 0.3569522 0.0000000), wk = 0.0030960 k( 138) = ( 0.1498578 0.3724718 0.0000000), wk = 0.0030960 k( 139) = ( 0.1561019 0.3879915 0.0000000), wk = 0.0030960 k( 140) = ( 0.1623460 0.4035111 0.0000000), wk = 0.0030960 k( 141) = ( 0.1685901 0.4190308 0.0000000), wk = 0.0030960 k( 142) = ( 0.1748342 0.4345505 0.0000000), wk = 0.0030960 k( 143) = ( 0.1810782 0.4500701 0.0000000), wk = 0.0030960 k( 144) = ( 0.1873223 0.4655898 0.0000000), wk = 0.0030960 k( 145) = ( 0.1935664 0.4811094 0.0000000), wk = 0.0030960 k( 146) = ( 0.1998105 0.4966291 0.0000000), wk = 0.0030960 k( 147) = ( 0.2060545 0.5121487 0.0000000), wk = 0.0030960 k( 148) = ( 0.2122986 0.5276684 0.0000000), wk = 0.0030960 k( 149) = ( 0.2185427 0.5431880 0.0000000), wk = 0.0030960 k( 150) = ( 0.2247868 0.5587077 0.0000000), wk = 0.0030960 k( 151) = ( 0.2310309 0.5742274 0.0000000), wk = 0.0030960 k( 152) = ( 0.2372749 0.5897470 0.0000000), wk = 0.0030960 k( 153) = ( 0.2435190 0.6052667 0.0000000), wk = 0.0030960 k( 154) = ( 0.2497631 0.6207864 0.0000000), wk = 0.0030960 k( 155) = ( 0.2560072 0.6363060 0.0000000), wk = 0.0030960 k( 156) = ( 0.2622512 0.6518257 0.0000000), wk = 0.0030960 k( 157) = ( 0.2684953 0.6673453 0.0000000), wk = 0.0030960 k( 158) = ( 0.2747394 0.6828650 0.0000000), wk = 0.0030960 k( 159) = ( 0.2809835 0.6983846 0.0000000), wk = 0.0030960 k( 160) = ( 0.2872275 0.7139043 0.0000000), wk = 0.0030960 k( 161) = ( 0.2934716 0.7294240 0.0000000), wk = 0.0030960 k( 162) = ( 0.2997157 0.7449436 0.0000000), wk = 0.0030960 k( 163) = ( 0.3059598 0.7604633 0.0000000), wk = 0.0030960 k( 164) = ( 0.3122039 0.7759829 0.0000000), wk = 0.0030960 k( 165) = ( 0.3184479 0.7915026 0.0000000), wk = 0.0030960 k( 166) = ( 0.3246920 0.8070223 0.0000000), wk = 0.0030960 k( 167) = ( 0.3309361 0.8225419 0.0000000), wk = 0.0030960 k( 168) = ( 0.3309361 0.8225419 0.0000000), wk = 0.0030960 k( 169) = ( 0.3286236 0.8167943 0.0153986), wk = 0.0030960 k( 170) = ( 0.3263112 0.8110467 0.0307972), wk = 0.0030960 k( 171) = ( 0.3239987 0.8052991 0.0461958), wk = 0.0030960 k( 172) = ( 0.3216862 0.7995514 0.0615944), wk = 0.0030960 k( 173) = ( 0.3193738 0.7938038 0.0769930), wk = 0.0030960 k( 174) = ( 0.3170613 0.7880562 0.0923916), wk = 0.0030960 k( 175) = ( 0.3147489 0.7823086 0.1077902), wk = 0.0030960 k( 176) = ( 0.3124364 0.7765609 0.1231888), wk = 0.0030960 k( 177) = ( 0.3101239 0.7708133 0.1385874), wk = 0.0030960 k( 178) = ( 0.3078115 0.7650657 0.1539860), wk = 0.0030960 k( 179) = ( 0.3054990 0.7593181 0.1693846), wk = 0.0030960 k( 180) = ( 0.3031866 0.7535705 0.1847832), wk = 0.0030960 k( 181) = ( 0.3008741 0.7478229 0.2001818), wk = 0.0030960 k( 182) = ( 0.2985617 0.7420752 0.2155803), wk = 0.0030960 k( 183) = ( 0.2962492 0.7363276 0.2309790), wk = 0.0030960 k( 184) = ( 0.2939367 0.7305800 0.2463775), wk = 0.0030960 k( 185) = ( 0.2916243 0.7248324 0.2617761), wk = 0.0030960 k( 186) = ( 0.2893118 0.7190848 0.2771747), wk = 0.0030960 k( 187) = ( 0.2869993 0.7133371 0.2925733), wk = 0.0030960 k( 188) = ( 0.2846869 0.7075895 0.3079719), wk = 0.0030960 k( 189) = ( 0.2823744 0.7018419 0.3233705), wk = 0.0030960 k( 190) = ( 0.2800620 0.6960943 0.3387691), wk = 0.0030960 k( 191) = ( 0.2777495 0.6903467 0.3541677), wk = 0.0030960 k( 192) = ( 0.2754371 0.6845990 0.3695663), wk = 0.0030960 k( 193) = ( 0.2731246 0.6788514 0.3849649), wk = 0.0030960 k( 194) = ( 0.2708121 0.6731038 0.4003635), wk = 0.0030960 k( 195) = ( 0.2684997 0.6673562 0.4157621), wk = 0.0030960 k( 196) = ( 0.2661872 0.6616086 0.4311607), wk = 0.0030960 k( 197) = ( 0.2638748 0.6558609 0.4465593), wk = 0.0030960 k( 198) = ( 0.2615623 0.6501133 0.4619579), wk = 0.0030960 k( 199) = ( 0.2592498 0.6443657 0.4773565), wk = 0.0030960 k( 200) = ( 0.2569374 0.6386181 0.4927551), wk = 0.0030960 k( 201) = ( 0.2546249 0.6328705 0.5081537), wk = 0.0030960 k( 202) = ( 0.2523125 0.6271228 0.5235523), wk = 0.0030960 k( 203) = ( 0.2500000 0.6213752 0.5389509), wk = 0.0030960 k( 204) = ( 0.2500000 0.6213752 0.5389509), wk = 0.0030960 k( 205) = ( 0.2391304 0.6257484 0.5272345), wk = 0.0030960 k( 206) = ( 0.2282609 0.6301216 0.5155182), wk = 0.0030960 k( 207) = ( 0.2173913 0.6344948 0.5038019), wk = 0.0030960 k( 208) = ( 0.2065217 0.6388680 0.4920856), wk = 0.0030960 k( 209) = ( 0.1956522 0.6432412 0.4803692), wk = 0.0030960 k( 210) = ( 0.1847826 0.6476144 0.4686529), wk = 0.0030960 k( 211) = ( 0.1739130 0.6519875 0.4569366), wk = 0.0030960 k( 212) = ( 0.1630435 0.6563607 0.4452203), wk = 0.0030960 k( 213) = ( 0.1521739 0.6607339 0.4335040), wk = 0.0030960 k( 214) = ( 0.1413043 0.6651071 0.4217876), wk = 0.0030960 k( 215) = ( 0.1304348 0.6694803 0.4100713), wk = 0.0030960 k( 216) = ( 0.1195652 0.6738535 0.3983550), wk = 0.0030960 k( 217) = ( 0.1086957 0.6782267 0.3866387), wk = 0.0030960 k( 218) = ( 0.0978261 0.6825999 0.3749223), wk = 0.0030960 k( 219) = ( 0.0869565 0.6869731 0.3632060), wk = 0.0030960 k( 220) = ( 0.0760870 0.6913462 0.3514897), wk = 0.0030960 k( 221) = ( 0.0652174 0.6957194 0.3397734), wk = 0.0030960 k( 222) = ( 0.0543478 0.7000926 0.3280571), wk = 0.0030960 k( 223) = ( 0.0434783 0.7044658 0.3163407), wk = 0.0030960 k( 224) = ( 0.0326087 0.7088390 0.3046244), wk = 0.0030960 k( 225) = ( 0.0217391 0.7132122 0.2929081), wk = 0.0030960 k( 226) = ( 0.0108696 0.7175854 0.2811918), wk = 0.0030960 k( 227) = ( 0.0000000 0.7219586 0.2694754), wk = 0.0030960 k( 228) = ( 0.0000000 0.7219586 0.2694754), wk = 0.0030960 k( 229) = ( -0.0127283 0.7180900 0.2798399), wk = 0.0030960 k( 230) = ( -0.0254566 0.7142214 0.2902043), wk = 0.0030960 k( 231) = ( -0.0381849 0.7103528 0.3005688), wk = 0.0030960 k( 232) = ( -0.0509132 0.7064842 0.3109332), wk = 0.0030960 k( 233) = ( -0.0636416 0.7026156 0.3212976), wk = 0.0030960 k( 234) = ( -0.0763699 0.6987470 0.3316621), wk = 0.0030960 k( 235) = ( -0.0890982 0.6948784 0.3420265), wk = 0.0030960 k( 236) = ( -0.1018265 0.6910098 0.3523910), wk = 0.0030960 k( 237) = ( -0.1145548 0.6871413 0.3627554), wk = 0.0030960 k( 238) = ( -0.1272831 0.6832727 0.3731198), wk = 0.0030960 k( 239) = ( -0.1400114 0.6794041 0.3834843), wk = 0.0030960 k( 240) = ( -0.1527397 0.6755355 0.3938487), wk = 0.0030960 k( 241) = ( -0.1654680 0.6716669 0.4042132), wk = 0.0030960 k( 242) = ( -0.1781964 0.6677983 0.4145776), wk = 0.0030960 k( 243) = ( -0.1909247 0.6639297 0.4249420), wk = 0.0030960 k( 244) = ( -0.2036530 0.6600611 0.4353065), wk = 0.0030960 k( 245) = ( -0.2163813 0.6561925 0.4456709), wk = 0.0030960 k( 246) = ( -0.2291096 0.6523239 0.4560353), wk = 0.0030960 k( 247) = ( -0.2418379 0.6484554 0.4663998), wk = 0.0030960 k( 248) = ( -0.2545662 0.6445868 0.4767642), wk = 0.0030960 k( 249) = ( -0.2672945 0.6407182 0.4871287), wk = 0.0030960 k( 250) = ( -0.2800228 0.6368496 0.4974931), wk = 0.0030960 k( 251) = ( -0.2927512 0.6329810 0.5078576), wk = 0.0030960 k( 252) = ( -0.3054795 0.6291124 0.5182220), wk = 0.0030960 k( 253) = ( -0.3182078 0.6252438 0.5285864), wk = 0.0030960 k( 254) = ( -0.3309361 0.6213752 0.5389509), wk = 0.0030960 k( 255) = ( -0.3309361 0.6213752 0.5389509), wk = 0.0030960 k( 256) = ( -0.3371977 0.6058119 0.5389509), wk = 0.0030960 k( 257) = ( -0.3434593 0.5902487 0.5389509), wk = 0.0030960 k( 258) = ( -0.3497210 0.5746854 0.5389509), wk = 0.0030960 k( 259) = ( -0.3559826 0.5591221 0.5389509), wk = 0.0030960 k( 260) = ( -0.3622442 0.5435588 0.5389509), wk = 0.0030960 k( 261) = ( -0.3685058 0.5279955 0.5389509), wk = 0.0030960 k( 262) = ( -0.3747675 0.5124323 0.5389509), wk = 0.0030960 k( 263) = ( -0.3810291 0.4968690 0.5389509), wk = 0.0030960 k( 264) = ( -0.3872907 0.4813057 0.5389509), wk = 0.0030960 k( 265) = ( -0.3935523 0.4657424 0.5389509), wk = 0.0030960 k( 266) = ( -0.3998140 0.4501792 0.5389509), wk = 0.0030960 k( 267) = ( -0.4060756 0.4346159 0.5389509), wk = 0.0030960 k( 268) = ( -0.4123372 0.4190526 0.5389509), wk = 0.0030960 k( 269) = ( -0.4185989 0.4034893 0.5389509), wk = 0.0030960 k( 270) = ( -0.4248605 0.3879260 0.5389509), wk = 0.0030960 k( 271) = ( -0.4311221 0.3723628 0.5389509), wk = 0.0030960 k( 272) = ( -0.4373837 0.3567995 0.5389509), wk = 0.0030960 k( 273) = ( -0.4436454 0.3412362 0.5389509), wk = 0.0030960 k( 274) = ( -0.4499070 0.3256729 0.5389509), wk = 0.0030960 k( 275) = ( -0.4561686 0.3101097 0.5389509), wk = 0.0030960 k( 276) = ( -0.4624302 0.2945464 0.5389509), wk = 0.0030960 k( 277) = ( -0.4686919 0.2789831 0.5389509), wk = 0.0030960 k( 278) = ( -0.4749535 0.2634198 0.5389509), wk = 0.0030960 k( 279) = ( -0.4812151 0.2478565 0.5389509), wk = 0.0030960 k( 280) = ( -0.4874768 0.2322932 0.5389509), wk = 0.0030960 k( 281) = ( -0.4937384 0.2167300 0.5389509), wk = 0.0030960 k( 282) = ( -0.5000000 0.2011667 0.5389509), wk = 0.0030960 k( 283) = ( 0.0000000 0.0000000 0.5389509), wk = 0.0030960 k( 284) = ( 0.0062500 0.0155344 0.5389509), wk = 0.0030960 k( 285) = ( 0.0125000 0.0310688 0.5389509), wk = 0.0030960 k( 286) = ( 0.0187500 0.0466031 0.5389509), wk = 0.0030960 k( 287) = ( 0.0250000 0.0621375 0.5389509), wk = 0.0030960 k( 288) = ( 0.0312500 0.0776719 0.5389509), wk = 0.0030960 k( 289) = ( 0.0375000 0.0932063 0.5389509), wk = 0.0030960 k( 290) = ( 0.0437500 0.1087407 0.5389509), wk = 0.0030960 k( 291) = ( 0.0500000 0.1242750 0.5389509), wk = 0.0030960 k( 292) = ( 0.0562500 0.1398094 0.5389509), wk = 0.0030960 k( 293) = ( 0.0625000 0.1553438 0.5389509), wk = 0.0030960 k( 294) = ( 0.0687500 0.1708782 0.5389509), wk = 0.0030960 k( 295) = ( 0.0750000 0.1864126 0.5389509), wk = 0.0030960 k( 296) = ( 0.0812500 0.2019469 0.5389509), wk = 0.0030960 k( 297) = ( 0.0875000 0.2174813 0.5389509), wk = 0.0030960 k( 298) = ( 0.0937500 0.2330157 0.5389509), wk = 0.0030960 k( 299) = ( 0.1000000 0.2485501 0.5389509), wk = 0.0030960 k( 300) = ( 0.1062500 0.2640845 0.5389509), wk = 0.0030960 k( 301) = ( 0.1125000 0.2796188 0.5389509), wk = 0.0030960 k( 302) = ( 0.1187500 0.2951532 0.5389509), wk = 0.0030960 k( 303) = ( 0.1250000 0.3106876 0.5389509), wk = 0.0030960 k( 304) = ( 0.1312500 0.3262220 0.5389509), wk = 0.0030960 k( 305) = ( 0.1375000 0.3417564 0.5389509), wk = 0.0030960 k( 306) = ( 0.1437500 0.3572908 0.5389509), wk = 0.0030960 k( 307) = ( 0.1500000 0.3728251 0.5389509), wk = 0.0030960 k( 308) = ( 0.1562500 0.3883595 0.5389509), wk = 0.0030960 k( 309) = ( 0.1625000 0.4038939 0.5389509), wk = 0.0030960 k( 310) = ( 0.1687500 0.4194283 0.5389509), wk = 0.0030960 k( 311) = ( 0.1750000 0.4349627 0.5389509), wk = 0.0030960 k( 312) = ( 0.1812500 0.4504970 0.5389509), wk = 0.0030960 k( 313) = ( 0.1875000 0.4660314 0.5389509), wk = 0.0030960 k( 314) = ( 0.1937500 0.4815658 0.5389509), wk = 0.0030960 k( 315) = ( 0.2000000 0.4971002 0.5389509), wk = 0.0030960 k( 316) = ( 0.2062500 0.5126346 0.5389509), wk = 0.0030960 k( 317) = ( 0.2125000 0.5281689 0.5389509), wk = 0.0030960 k( 318) = ( 0.2187500 0.5437033 0.5389509), wk = 0.0030960 k( 319) = ( 0.2250000 0.5592377 0.5389509), wk = 0.0030960 k( 320) = ( 0.2312500 0.5747721 0.5389509), wk = 0.0030960 k( 321) = ( 0.2375000 0.5903065 0.5389509), wk = 0.0030960 k( 322) = ( 0.2437500 0.6058408 0.5389509), wk = 0.0030960 k( 323) = ( 0.2500000 0.6213752 0.5389509), wk = 0.0030960 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0030960 k( 3) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0030960 k( 4) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0030960 k( 5) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0030960 k( 6) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0030960 k( 7) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0030960 k( 8) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0030960 k( 9) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030960 k( 10) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0030960 k( 11) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0030960 k( 12) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0030960 k( 13) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0030960 k( 14) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0030960 k( 15) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0030960 k( 16) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0030960 k( 17) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030960 k( 18) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0030960 k( 19) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0030960 k( 20) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0030960 k( 21) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0030960 k( 22) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0030960 k( 23) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0030960 k( 24) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0030960 k( 25) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030960 k( 26) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0030960 k( 27) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0030960 k( 28) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0030960 k( 29) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0030960 k( 30) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0030960 k( 31) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0030960 k( 32) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0030960 k( 33) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 34) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 35) = ( -0.0156250 0.0156250 0.5000000), wk = 0.0030960 k( 36) = ( -0.0312500 0.0312500 0.5000000), wk = 0.0030960 k( 37) = ( -0.0468750 0.0468750 0.5000000), wk = 0.0030960 k( 38) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0030960 k( 39) = ( -0.0781250 0.0781250 0.5000000), wk = 0.0030960 k( 40) = ( -0.0937500 0.0937500 0.5000000), wk = 0.0030960 k( 41) = ( -0.1093750 0.1093750 0.5000000), wk = 0.0030960 k( 42) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0030960 k( 43) = ( -0.1406250 0.1406250 0.5000000), wk = 0.0030960 k( 44) = ( -0.1562500 0.1562500 0.5000000), wk = 0.0030960 k( 45) = ( -0.1718750 0.1718750 0.5000000), wk = 0.0030960 k( 46) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0030960 k( 47) = ( -0.2031250 0.2031250 0.5000000), wk = 0.0030960 k( 48) = ( -0.2187500 0.2187500 0.5000000), wk = 0.0030960 k( 49) = ( -0.2343750 0.2343750 0.5000000), wk = 0.0030960 k( 50) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0030960 k( 51) = ( -0.2656250 0.2656250 0.5000000), wk = 0.0030960 k( 52) = ( -0.2812500 0.2812500 0.5000000), wk = 0.0030960 k( 53) = ( -0.2968750 0.2968750 0.5000000), wk = 0.0030960 k( 54) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0030960 k( 55) = ( -0.3281250 0.3281250 0.5000000), wk = 0.0030960 k( 56) = ( -0.3437500 0.3437500 0.5000000), wk = 0.0030960 k( 57) = ( -0.3593750 0.3593750 0.5000000), wk = 0.0030960 k( 58) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0030960 k( 59) = ( -0.3906250 0.3906250 0.5000000), wk = 0.0030960 k( 60) = ( -0.4062500 0.4062500 0.5000000), wk = 0.0030960 k( 61) = ( -0.4218750 0.4218750 0.5000000), wk = 0.0030960 k( 62) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0030960 k( 63) = ( -0.4531250 0.4531250 0.5000000), wk = 0.0030960 k( 64) = ( -0.4687500 0.4687500 0.5000000), wk = 0.0030960 k( 65) = ( -0.4843750 0.4843750 0.5000000), wk = 0.0030960 k( 66) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030960 k( 67) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030960 k( 68) = ( -0.4891304 0.4891304 0.4891304), wk = 0.0030960 k( 69) = ( -0.4782609 0.4782609 0.4782609), wk = 0.0030960 k( 70) = ( -0.4673913 0.4673913 0.4673913), wk = 0.0030960 k( 71) = ( -0.4565217 0.4565217 0.4565217), wk = 0.0030960 k( 72) = ( -0.4456522 0.4456522 0.4456522), wk = 0.0030960 k( 73) = ( -0.4347826 0.4347826 0.4347826), wk = 0.0030960 k( 74) = ( -0.4239130 0.4239130 0.4239130), wk = 0.0030960 k( 75) = ( -0.4130435 0.4130435 0.4130435), wk = 0.0030960 k( 76) = ( -0.4021739 0.4021739 0.4021739), wk = 0.0030960 k( 77) = ( -0.3913044 0.3913043 0.3913044), wk = 0.0030960 k( 78) = ( -0.3804348 0.3804348 0.3804348), wk = 0.0030960 k( 79) = ( -0.3695652 0.3695652 0.3695652), wk = 0.0030960 k( 80) = ( -0.3586956 0.3586956 0.3586956), wk = 0.0030960 k( 81) = ( -0.3478261 0.3478261 0.3478261), wk = 0.0030960 k( 82) = ( -0.3369565 0.3369565 0.3369565), wk = 0.0030960 k( 83) = ( -0.3260870 0.3260870 0.3260870), wk = 0.0030960 k( 84) = ( -0.3152174 0.3152174 0.3152174), wk = 0.0030960 k( 85) = ( -0.3043478 0.3043478 0.3043478), wk = 0.0030960 k( 86) = ( -0.2934783 0.2934783 0.2934783), wk = 0.0030960 k( 87) = ( -0.2826087 0.2826087 0.2826087), wk = 0.0030960 k( 88) = ( -0.2717391 0.2717391 0.2717391), wk = 0.0030960 k( 89) = ( -0.2608696 0.2608696 0.2608696), wk = 0.0030960 k( 90) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0030960 k( 91) = ( -0.2391304 0.2391304 0.2391304), wk = 0.0030960 k( 92) = ( -0.2282609 0.2282609 0.2282609), wk = 0.0030960 k( 93) = ( -0.2173913 0.2173913 0.2173913), wk = 0.0030960 k( 94) = ( -0.2065217 0.2065217 0.2065217), wk = 0.0030960 k( 95) = ( -0.1956522 0.1956522 0.1956522), wk = 0.0030960 k( 96) = ( -0.1847826 0.1847826 0.1847826), wk = 0.0030960 k( 97) = ( -0.1739130 0.1739130 0.1739130), wk = 0.0030960 k( 98) = ( -0.1630435 0.1630435 0.1630435), wk = 0.0030960 k( 99) = ( -0.1521739 0.1521739 0.1521739), wk = 0.0030960 k( 100) = ( -0.1413043 0.1413043 0.1413043), wk = 0.0030960 k( 101) = ( -0.1304348 0.1304348 0.1304348), wk = 0.0030960 k( 102) = ( -0.1195652 0.1195652 0.1195652), wk = 0.0030960 k( 103) = ( -0.1086957 0.1086957 0.1086957), wk = 0.0030960 k( 104) = ( -0.0978261 0.0978261 0.0978261), wk = 0.0030960 k( 105) = ( -0.0869565 0.0869565 0.0869565), wk = 0.0030960 k( 106) = ( -0.0760870 0.0760870 0.0760870), wk = 0.0030960 k( 107) = ( -0.0652174 0.0652174 0.0652174), wk = 0.0030960 k( 108) = ( -0.0543478 0.0543478 0.0543478), wk = 0.0030960 k( 109) = ( -0.0434783 0.0434783 0.0434783), wk = 0.0030960 k( 110) = ( -0.0326087 0.0326087 0.0326087), wk = 0.0030960 k( 111) = ( -0.0217391 0.0217391 0.0217391), wk = 0.0030960 k( 112) = ( -0.0108696 0.0108696 0.0108696), wk = 0.0030960 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 115) = ( 0.0062441 0.0062441 -0.0062441), wk = 0.0030960 k( 116) = ( 0.0124881 0.0124881 -0.0124881), wk = 0.0030960 k( 117) = ( 0.0187322 0.0187322 -0.0187322), wk = 0.0030960 k( 118) = ( 0.0249763 0.0249763 -0.0249763), wk = 0.0030960 k( 119) = ( 0.0312204 0.0312204 -0.0312204), wk = 0.0030960 k( 120) = ( 0.0374645 0.0374645 -0.0374645), wk = 0.0030960 k( 121) = ( 0.0437085 0.0437085 -0.0437085), wk = 0.0030960 k( 122) = ( 0.0499526 0.0499526 -0.0499526), wk = 0.0030960 k( 123) = ( 0.0561967 0.0561967 -0.0561967), wk = 0.0030960 k( 124) = ( 0.0624408 0.0624408 -0.0624408), wk = 0.0030960 k( 125) = ( 0.0686849 0.0686849 -0.0686848), wk = 0.0030960 k( 126) = ( 0.0749289 0.0749289 -0.0749289), wk = 0.0030960 k( 127) = ( 0.0811730 0.0811730 -0.0811730), wk = 0.0030960 k( 128) = ( 0.0874171 0.0874171 -0.0874171), wk = 0.0030960 k( 129) = ( 0.0936611 0.0936611 -0.0936611), wk = 0.0030960 k( 130) = ( 0.0999052 0.0999052 -0.0999052), wk = 0.0030960 k( 131) = ( 0.1061493 0.1061493 -0.1061493), wk = 0.0030960 k( 132) = ( 0.1123934 0.1123934 -0.1123934), wk = 0.0030960 k( 133) = ( 0.1186375 0.1186375 -0.1186375), wk = 0.0030960 k( 134) = ( 0.1248815 0.1248815 -0.1248815), wk = 0.0030960 k( 135) = ( 0.1311256 0.1311256 -0.1311256), wk = 0.0030960 k( 136) = ( 0.1373697 0.1373697 -0.1373697), wk = 0.0030960 k( 137) = ( 0.1436138 0.1436138 -0.1436138), wk = 0.0030960 k( 138) = ( 0.1498578 0.1498578 -0.1498578), wk = 0.0030960 k( 139) = ( 0.1561019 0.1561019 -0.1561019), wk = 0.0030960 k( 140) = ( 0.1623460 0.1623460 -0.1623460), wk = 0.0030960 k( 141) = ( 0.1685901 0.1685901 -0.1685901), wk = 0.0030960 k( 142) = ( 0.1748342 0.1748342 -0.1748342), wk = 0.0030960 k( 143) = ( 0.1810782 0.1810782 -0.1810782), wk = 0.0030960 k( 144) = ( 0.1873223 0.1873223 -0.1873223), wk = 0.0030960 k( 145) = ( 0.1935664 0.1935664 -0.1935664), wk = 0.0030960 k( 146) = ( 0.1998105 0.1998105 -0.1998105), wk = 0.0030960 k( 147) = ( 0.2060545 0.2060545 -0.2060545), wk = 0.0030960 k( 148) = ( 0.2122986 0.2122986 -0.2122986), wk = 0.0030960 k( 149) = ( 0.2185427 0.2185427 -0.2185427), wk = 0.0030960 k( 150) = ( 0.2247868 0.2247868 -0.2247868), wk = 0.0030960 k( 151) = ( 0.2310309 0.2310309 -0.2310308), wk = 0.0030960 k( 152) = ( 0.2372749 0.2372749 -0.2372749), wk = 0.0030960 k( 153) = ( 0.2435190 0.2435190 -0.2435190), wk = 0.0030960 k( 154) = ( 0.2497631 0.2497631 -0.2497631), wk = 0.0030960 k( 155) = ( 0.2560072 0.2560072 -0.2560072), wk = 0.0030960 k( 156) = ( 0.2622512 0.2622512 -0.2622512), wk = 0.0030960 k( 157) = ( 0.2684953 0.2684953 -0.2684953), wk = 0.0030960 k( 158) = ( 0.2747394 0.2747394 -0.2747394), wk = 0.0030960 k( 159) = ( 0.2809835 0.2809835 -0.2809835), wk = 0.0030960 k( 160) = ( 0.2872275 0.2872275 -0.2872275), wk = 0.0030960 k( 161) = ( 0.2934716 0.2934716 -0.2934716), wk = 0.0030960 k( 162) = ( 0.2997157 0.2997157 -0.2997157), wk = 0.0030960 k( 163) = ( 0.3059598 0.3059598 -0.3059598), wk = 0.0030960 k( 164) = ( 0.3122039 0.3122038 -0.3122039), wk = 0.0030960 k( 165) = ( 0.3184479 0.3184479 -0.3184479), wk = 0.0030960 k( 166) = ( 0.3246920 0.3246920 -0.3246920), wk = 0.0030960 k( 167) = ( 0.3309361 0.3309361 -0.3309361), wk = 0.0030960 k( 168) = ( 0.3309361 0.3309361 -0.3309361), wk = 0.0030960 k( 169) = ( 0.3286236 0.3286236 -0.3143379), wk = 0.0030960 k( 170) = ( 0.3263112 0.3263112 -0.2977397), wk = 0.0030960 k( 171) = ( 0.3239987 0.3239987 -0.2811416), wk = 0.0030960 k( 172) = ( 0.3216862 0.3216862 -0.2645434), wk = 0.0030960 k( 173) = ( 0.3193738 0.3193738 -0.2479452), wk = 0.0030960 k( 174) = ( 0.3170613 0.3170613 -0.2313470), wk = 0.0030960 k( 175) = ( 0.3147489 0.3147489 -0.2147489), wk = 0.0030960 k( 176) = ( 0.3124364 0.3124364 -0.1981507), wk = 0.0030960 k( 177) = ( 0.3101239 0.3101239 -0.1815525), wk = 0.0030960 k( 178) = ( 0.3078115 0.3078115 -0.1649543), wk = 0.0030960 k( 179) = ( 0.3054990 0.3054990 -0.1483562), wk = 0.0030960 k( 180) = ( 0.3031866 0.3031866 -0.1317580), wk = 0.0030960 k( 181) = ( 0.3008741 0.3008741 -0.1151598), wk = 0.0030960 k( 182) = ( 0.2985617 0.2985617 -0.0985617), wk = 0.0030960 k( 183) = ( 0.2962492 0.2962492 -0.0819635), wk = 0.0030960 k( 184) = ( 0.2939367 0.2939367 -0.0653653), wk = 0.0030960 k( 185) = ( 0.2916243 0.2916243 -0.0487671), wk = 0.0030960 k( 186) = ( 0.2893118 0.2893118 -0.0321690), wk = 0.0030960 k( 187) = ( 0.2869993 0.2869994 -0.0155708), wk = 0.0030960 k( 188) = ( 0.2846869 0.2846869 0.0010274), wk = 0.0030960 k( 189) = ( 0.2823744 0.2823744 0.0176256), wk = 0.0030960 k( 190) = ( 0.2800620 0.2800620 0.0342237), wk = 0.0030960 k( 191) = ( 0.2777495 0.2777495 0.0508219), wk = 0.0030960 k( 192) = ( 0.2754371 0.2754371 0.0674201), wk = 0.0030960 k( 193) = ( 0.2731246 0.2731246 0.0840183), wk = 0.0030960 k( 194) = ( 0.2708121 0.2708121 0.1006164), wk = 0.0030960 k( 195) = ( 0.2684997 0.2684997 0.1172146), wk = 0.0030960 k( 196) = ( 0.2661872 0.2661872 0.1338128), wk = 0.0030960 k( 197) = ( 0.2638748 0.2638748 0.1504110), wk = 0.0030960 k( 198) = ( 0.2615623 0.2615623 0.1670091), wk = 0.0030960 k( 199) = ( 0.2592498 0.2592498 0.1836073), wk = 0.0030960 k( 200) = ( 0.2569374 0.2569374 0.2002055), wk = 0.0030960 k( 201) = ( 0.2546249 0.2546249 0.2168037), wk = 0.0030960 k( 202) = ( 0.2523125 0.2523125 0.2334018), wk = 0.0030960 k( 203) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030960 k( 204) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030960 k( 205) = ( 0.2391304 0.2608696 0.2391304), wk = 0.0030960 k( 206) = ( 0.2282609 0.2717391 0.2282609), wk = 0.0030960 k( 207) = ( 0.2173913 0.2826087 0.2173913), wk = 0.0030960 k( 208) = ( 0.2065217 0.2934783 0.2065217), wk = 0.0030960 k( 209) = ( 0.1956522 0.3043478 0.1956522), wk = 0.0030960 k( 210) = ( 0.1847826 0.3152174 0.1847826), wk = 0.0030960 k( 211) = ( 0.1739130 0.3260870 0.1739130), wk = 0.0030960 k( 212) = ( 0.1630435 0.3369565 0.1630435), wk = 0.0030960 k( 213) = ( 0.1521739 0.3478261 0.1521739), wk = 0.0030960 k( 214) = ( 0.1413043 0.3586956 0.1413043), wk = 0.0030960 k( 215) = ( 0.1304348 0.3695652 0.1304348), wk = 0.0030960 k( 216) = ( 0.1195652 0.3804348 0.1195652), wk = 0.0030960 k( 217) = ( 0.1086957 0.3913043 0.1086957), wk = 0.0030960 k( 218) = ( 0.0978261 0.4021739 0.0978261), wk = 0.0030960 k( 219) = ( 0.0869565 0.4130435 0.0869565), wk = 0.0030960 k( 220) = ( 0.0760870 0.4239130 0.0760870), wk = 0.0030960 k( 221) = ( 0.0652174 0.4347826 0.0652174), wk = 0.0030960 k( 222) = ( 0.0543478 0.4456522 0.0543478), wk = 0.0030960 k( 223) = ( 0.0434783 0.4565217 0.0434783), wk = 0.0030960 k( 224) = ( 0.0326087 0.4673913 0.0326087), wk = 0.0030960 k( 225) = ( 0.0217391 0.4782609 0.0217391), wk = 0.0030960 k( 226) = ( 0.0108696 0.4891304 0.0108696), wk = 0.0030960 k( 227) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030960 k( 228) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030960 k( 229) = ( -0.0127283 0.5065025 0.0127283), wk = 0.0030960 k( 230) = ( -0.0254566 0.5130049 0.0254566), wk = 0.0030960 k( 231) = ( -0.0381849 0.5195074 0.0381849), wk = 0.0030960 k( 232) = ( -0.0509132 0.5260098 0.0509132), wk = 0.0030960 k( 233) = ( -0.0636416 0.5325123 0.0636416), wk = 0.0030960 k( 234) = ( -0.0763699 0.5390147 0.0763699), wk = 0.0030960 k( 235) = ( -0.0890982 0.5455172 0.0890982), wk = 0.0030960 k( 236) = ( -0.1018265 0.5520197 0.1018265), wk = 0.0030960 k( 237) = ( -0.1145548 0.5585221 0.1145548), wk = 0.0030960 k( 238) = ( -0.1272831 0.5650246 0.1272831), wk = 0.0030960 k( 239) = ( -0.1400114 0.5715270 0.1400114), wk = 0.0030960 k( 240) = ( -0.1527397 0.5780295 0.1527397), wk = 0.0030960 k( 241) = ( -0.1654680 0.5845320 0.1654680), wk = 0.0030960 k( 242) = ( -0.1781964 0.5910344 0.1781964), wk = 0.0030960 k( 243) = ( -0.1909247 0.5975369 0.1909247), wk = 0.0030960 k( 244) = ( -0.2036530 0.6040393 0.2036530), wk = 0.0030960 k( 245) = ( -0.2163813 0.6105418 0.2163813), wk = 0.0030960 k( 246) = ( -0.2291096 0.6170442 0.2291096), wk = 0.0030960 k( 247) = ( -0.2418379 0.6235467 0.2418379), wk = 0.0030960 k( 248) = ( -0.2545662 0.6300492 0.2545662), wk = 0.0030960 k( 249) = ( -0.2672945 0.6365516 0.2672945), wk = 0.0030960 k( 250) = ( -0.2800228 0.6430541 0.2800228), wk = 0.0030960 k( 251) = ( -0.2927512 0.6495566 0.2927511), wk = 0.0030960 k( 252) = ( -0.3054795 0.6560590 0.3054795), wk = 0.0030960 k( 253) = ( -0.3182078 0.6625615 0.3182078), wk = 0.0030960 k( 254) = ( -0.3309361 0.6690639 0.3309361), wk = 0.0030960 k( 255) = ( -0.3309361 0.6690639 0.3309361), wk = 0.0030960 k( 256) = ( -0.3371977 0.6628023 0.3371977), wk = 0.0030960 k( 257) = ( -0.3434593 0.6565407 0.3434593), wk = 0.0030960 k( 258) = ( -0.3497210 0.6502790 0.3497210), wk = 0.0030960 k( 259) = ( -0.3559826 0.6440174 0.3559826), wk = 0.0030960 k( 260) = ( -0.3622442 0.6377558 0.3622442), wk = 0.0030960 k( 261) = ( -0.3685058 0.6314942 0.3685058), wk = 0.0030960 k( 262) = ( -0.3747675 0.6252325 0.3747675), wk = 0.0030960 k( 263) = ( -0.3810291 0.6189709 0.3810291), wk = 0.0030960 k( 264) = ( -0.3872907 0.6127093 0.3872907), wk = 0.0030960 k( 265) = ( -0.3935523 0.6064477 0.3935523), wk = 0.0030960 k( 266) = ( -0.3998140 0.6001860 0.3998140), wk = 0.0030960 k( 267) = ( -0.4060756 0.5939244 0.4060756), wk = 0.0030960 k( 268) = ( -0.4123372 0.5876628 0.4123372), wk = 0.0030960 k( 269) = ( -0.4185989 0.5814012 0.4185989), wk = 0.0030960 k( 270) = ( -0.4248605 0.5751395 0.4248605), wk = 0.0030960 k( 271) = ( -0.4311221 0.5688779 0.4311221), wk = 0.0030960 k( 272) = ( -0.4373837 0.5626163 0.4373837), wk = 0.0030960 k( 273) = ( -0.4436454 0.5563546 0.4436454), wk = 0.0030960 k( 274) = ( -0.4499070 0.5500930 0.4499070), wk = 0.0030960 k( 275) = ( -0.4561686 0.5438314 0.4561686), wk = 0.0030960 k( 276) = ( -0.4624302 0.5375698 0.4624302), wk = 0.0030960 k( 277) = ( -0.4686919 0.5313081 0.4686919), wk = 0.0030960 k( 278) = ( -0.4749535 0.5250465 0.4749535), wk = 0.0030960 k( 279) = ( -0.4812151 0.5187849 0.4812151), wk = 0.0030960 k( 280) = ( -0.4874768 0.5125232 0.4874768), wk = 0.0030960 k( 281) = ( -0.4937384 0.5062616 0.4937384), wk = 0.0030960 k( 282) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030960 k( 283) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 284) = ( 0.0062500 0.0062500 0.4937500), wk = 0.0030960 k( 285) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0030960 k( 286) = ( 0.0187500 0.0187500 0.4812500), wk = 0.0030960 k( 287) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0030960 k( 288) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0030960 k( 289) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0030960 k( 290) = ( 0.0437500 0.0437500 0.4562500), wk = 0.0030960 k( 291) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0030960 k( 292) = ( 0.0562500 0.0562500 0.4437500), wk = 0.0030960 k( 293) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0030960 k( 294) = ( 0.0687500 0.0687500 0.4312500), wk = 0.0030960 k( 295) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0030960 k( 296) = ( 0.0812500 0.0812500 0.4187500), wk = 0.0030960 k( 297) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0030960 k( 298) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0030960 k( 299) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0030960 k( 300) = ( 0.1062500 0.1062500 0.3937500), wk = 0.0030960 k( 301) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0030960 k( 302) = ( 0.1187500 0.1187500 0.3812500), wk = 0.0030960 k( 303) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030960 k( 304) = ( 0.1312500 0.1312500 0.3687500), wk = 0.0030960 k( 305) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0030960 k( 306) = ( 0.1437500 0.1437500 0.3562500), wk = 0.0030960 k( 307) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0030960 k( 308) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0030960 k( 309) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0030960 k( 310) = ( 0.1687500 0.1687500 0.3312500), wk = 0.0030960 k( 311) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0030960 k( 312) = ( 0.1812500 0.1812500 0.3187500), wk = 0.0030960 k( 313) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0030960 k( 314) = ( 0.1937500 0.1937500 0.3062500), wk = 0.0030960 k( 315) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0030960 k( 316) = ( 0.2062500 0.2062500 0.2937500), wk = 0.0030960 k( 317) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0030960 k( 318) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0030960 k( 319) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0030960 k( 320) = ( 0.2312500 0.2312500 0.2687500), wk = 0.0030960 k( 321) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0030960 k( 322) = ( 0.2437500 0.2437500 0.2562500), wk = 0.0030960 k( 323) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030960 Dense grid: 46575 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 22139 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 166, 48) NL pseudopotentials 0.17 Mb ( 83, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1294) G-vector shells 0.00 Mb ( 609) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 166, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.20 Mb ( 136, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Sr.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.1 secs Computing kpt #: 12 total cpu time spent up to now is 8.5 secs Computing kpt #: 13 total cpu time spent up to now is 9.0 secs Computing kpt #: 14 total cpu time spent up to now is 9.4 secs Computing kpt #: 15 total cpu time spent up to now is 9.8 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.7 secs Computing kpt #: 18 total cpu time spent up to now is 11.1 secs Computing kpt #: 19 total cpu time spent up to now is 11.5 secs Computing kpt #: 20 total cpu time spent up to now is 11.9 secs Computing kpt #: 21 total cpu time spent up to now is 12.4 secs Computing kpt #: 22 total cpu time spent up to now is 12.8 secs Computing kpt #: 23 total cpu time spent up to now is 13.2 secs Computing kpt #: 24 total cpu time spent up to now is 13.6 secs Computing kpt #: 25 total cpu time spent up to now is 14.1 secs Computing kpt #: 26 total cpu time spent up to now is 14.5 secs Computing kpt #: 27 total cpu time spent up to now is 14.9 secs Computing kpt #: 28 total cpu time spent up to now is 15.4 secs Computing kpt #: 29 total cpu time spent up to now is 15.8 secs Computing kpt #: 30 total cpu time spent up to now is 16.3 secs Computing kpt #: 31 total cpu time spent up to now is 16.7 secs Computing kpt #: 32 total cpu time spent up to now is 17.2 secs Computing kpt #: 33 total cpu time spent up to now is 17.6 secs Computing kpt #: 34 total cpu time spent up to now is 18.1 secs Computing kpt #: 35 total cpu time spent up to now is 18.5 secs Computing kpt #: 36 total cpu time spent up to now is 18.9 secs Computing kpt #: 37 total cpu time spent up to now is 19.4 secs Computing kpt #: 38 total cpu time spent up to now is 19.8 secs Computing kpt #: 39 total cpu time spent up to now is 20.2 secs Computing kpt #: 40 total cpu time spent up to now is 20.7 secs Computing kpt #: 41 total cpu time spent up to now is 21.1 secs Computing kpt #: 42 total cpu time spent up to now is 21.6 secs Computing kpt #: 43 total cpu time spent up to now is 22.0 secs Computing kpt #: 44 total cpu time spent up to now is 22.4 secs Computing kpt #: 45 total cpu time spent up to now is 22.9 secs Computing kpt #: 46 total cpu time spent up to now is 23.3 secs Computing kpt #: 47 total cpu time spent up to now is 23.8 secs Computing kpt #: 48 total cpu time spent up to now is 24.2 secs Computing kpt #: 49 total cpu time spent up to now is 24.7 secs Computing kpt #: 50 total cpu time spent up to now is 25.1 secs Computing kpt #: 51 total cpu time spent up to now is 25.6 secs Computing kpt #: 52 total cpu time spent up to now is 26.1 secs Computing kpt #: 53 total cpu time spent up to now is 26.6 secs Computing kpt #: 54 total cpu time spent up to now is 27.1 secs Computing kpt #: 55 total cpu time spent up to now is 27.6 secs Computing kpt #: 56 total cpu time spent up to now is 28.1 secs Computing kpt #: 57 total cpu time spent up to now is 28.6 secs Computing kpt #: 58 total cpu time spent up to now is 29.1 secs Computing kpt #: 59 total cpu time spent up to now is 29.6 secs Computing kpt #: 60 total cpu time spent up to now is 30.1 secs Computing kpt #: 61 total cpu time spent up to now is 30.6 secs Computing kpt #: 62 total cpu time spent up to now is 31.1 secs Computing kpt #: 63 total cpu time spent up to now is 31.6 secs Computing kpt #: 64 total cpu time spent up to now is 32.1 secs Computing kpt #: 65 total cpu time spent up to now is 32.6 secs Computing kpt #: 66 total cpu time spent up to now is 33.1 secs Computing kpt #: 67 total cpu time spent up to now is 33.6 secs Computing kpt #: 68 total cpu time spent up to now is 34.1 secs Computing kpt #: 69 total cpu time spent up to now is 34.6 secs Computing kpt #: 70 total cpu time spent up to now is 35.1 secs Computing kpt #: 71 total cpu time spent up to now is 35.6 secs Computing kpt #: 72 total cpu time spent up to now is 36.0 secs Computing kpt #: 73 total cpu time spent up to now is 36.5 secs Computing kpt #: 74 total cpu time spent up to now is 37.0 secs Computing kpt #: 75 total cpu time spent up to now is 37.5 secs Computing kpt #: 76 total cpu time spent up to now is 38.0 secs Computing kpt #: 77 total cpu time spent up to now is 38.5 secs Computing kpt #: 78 total cpu time spent up to now is 38.9 secs Computing kpt #: 79 total cpu time spent up to now is 39.4 secs Computing kpt #: 80 total cpu time spent up to now is 39.9 secs Computing kpt #: 81 total cpu time spent up to now is 40.4 secs Computing kpt #: 82 total cpu time spent up to now is 40.8 secs Computing kpt #: 83 total cpu time spent up to now is 41.3 secs Computing kpt #: 84 total cpu time spent up to now is 41.7 secs Computing kpt #: 85 total cpu time spent up to now is 42.2 secs Computing kpt #: 86 total cpu time spent up to now is 42.6 secs Computing kpt #: 87 total cpu time spent up to now is 43.0 secs Computing kpt #: 88 total cpu time spent up to now is 43.5 secs Computing kpt #: 89 total cpu time spent up to now is 43.9 secs Computing kpt #: 90 total cpu time spent up to now is 44.4 secs Computing kpt #: 91 total cpu time spent up to now is 44.8 secs Computing kpt #: 92 total cpu time spent up to now is 45.3 secs Computing kpt #: 93 total cpu time spent up to now is 45.7 secs Computing kpt #: 94 total cpu time spent up to now is 46.1 secs Computing kpt #: 95 total cpu time spent up to now is 46.6 secs Computing kpt #: 96 total cpu time spent up to now is 47.0 secs Computing kpt #: 97 total cpu time spent up to now is 47.4 secs Computing kpt #: 98 total cpu time spent up to now is 47.9 secs Computing kpt #: 99 total cpu time spent up to now is 48.3 secs Computing kpt #: 100 total cpu time spent up to now is 48.7 secs Computing kpt #: 101 total cpu time spent up to now is 49.2 secs Computing kpt #: 102 total cpu time spent up to now is 49.6 secs Computing kpt #: 103 total cpu time spent up to now is 50.0 secs Computing kpt #: 104 total cpu time spent up to now is 50.5 secs Computing kpt #: 105 total cpu time spent up to now is 50.9 secs Computing kpt #: 106 total cpu time spent up to now is 51.3 secs Computing kpt #: 107 total cpu time spent up to now is 51.8 secs Computing kpt #: 108 total cpu time spent up to now is 52.2 secs Computing kpt #: 109 total cpu time spent up to now is 52.7 secs Computing kpt #: 110 total cpu time spent up to now is 53.2 secs Computing kpt #: 111 total cpu time spent up to now is 53.8 secs Computing kpt #: 112 total cpu time spent up to now is 54.3 secs Computing kpt #: 113 total cpu time spent up to now is 54.8 secs Computing kpt #: 114 total cpu time spent up to now is 55.3 secs Computing kpt #: 115 total cpu time spent up to now is 55.8 secs Computing kpt #: 116 total cpu time spent up to now is 56.3 secs Computing kpt #: 117 total cpu time spent up to now is 56.8 secs Computing kpt #: 118 total cpu time spent up to now is 57.3 secs Computing kpt #: 119 total cpu time spent up to now is 57.8 secs Computing kpt #: 120 total cpu time spent up to now is 58.3 secs Computing kpt #: 121 total cpu time spent up to now is 58.8 secs Computing kpt #: 122 total cpu time spent up to now is 59.3 secs Computing kpt #: 123 total cpu time spent up to now is 59.7 secs Computing kpt #: 124 total cpu time spent up to now is 60.2 secs Computing kpt #: 125 total cpu time spent up to now is 60.7 secs Computing kpt #: 126 total cpu time spent up to now is 61.1 secs Computing kpt #: 127 total cpu time spent up to now is 61.6 secs Computing kpt #: 128 total cpu time spent up to now is 62.0 secs Computing kpt #: 129 total cpu time spent up to now is 62.5 secs Computing kpt #: 130 total cpu time spent up to now is 62.9 secs Computing kpt #: 131 total cpu time spent up to now is 63.3 secs Computing kpt #: 132 total cpu time spent up to now is 63.8 secs Computing kpt #: 133 total cpu time spent up to now is 64.2 secs Computing kpt #: 134 total cpu time spent up to now is 64.7 secs Computing kpt #: 135 total cpu time spent up to now is 65.1 secs Computing kpt #: 136 total cpu time spent up to now is 65.5 secs Computing kpt #: 137 total cpu time spent up to now is 65.9 secs Computing kpt #: 138 total cpu time spent up to now is 66.4 secs Computing kpt #: 139 total cpu time spent up to now is 66.8 secs Computing kpt #: 140 total cpu time spent up to now is 67.2 secs Computing kpt #: 141 total cpu time spent up to now is 67.6 secs Computing kpt #: 142 total cpu time spent up to now is 68.0 secs Computing kpt #: 143 total cpu time spent up to now is 68.4 secs Computing kpt #: 144 total cpu time spent up to now is 68.8 secs Computing kpt #: 145 total cpu time spent up to now is 69.2 secs Computing kpt #: 146 total cpu time spent up to now is 69.6 secs Computing kpt #: 147 total cpu time spent up to now is 70.1 secs Computing kpt #: 148 total cpu time spent up to now is 70.5 secs Computing kpt #: 149 total cpu time spent up to now is 71.0 secs Computing kpt #: 150 total cpu time spent up to now is 71.5 secs Computing kpt #: 151 total cpu time spent up to now is 71.9 secs Computing kpt #: 152 total cpu time spent up to now is 72.4 secs Computing kpt #: 153 total cpu time spent up to now is 72.8 secs Computing kpt #: 154 total cpu time spent up to now is 73.3 secs Computing kpt #: 155 total cpu time spent up to now is 73.7 secs Computing kpt #: 156 total cpu time spent up to now is 74.2 secs Computing kpt #: 157 total cpu time spent up to now is 74.7 secs Computing kpt #: 158 total cpu time spent up to now is 75.3 secs Computing kpt #: 159 total cpu time spent up to now is 75.8 secs Computing kpt #: 160 total cpu time spent up to now is 76.3 secs Computing kpt #: 161 total cpu time spent up to now is 76.7 secs Computing kpt #: 162 total cpu time spent up to now is 77.2 secs Computing kpt #: 163 total cpu time spent up to now is 77.6 secs Computing kpt #: 164 total cpu time spent up to now is 78.1 secs Computing kpt #: 165 total cpu time spent up to now is 78.5 secs Computing kpt #: 166 total cpu time spent up to now is 79.0 secs Computing kpt #: 167 total cpu time spent up to now is 79.4 secs Computing kpt #: 168 total cpu time spent up to now is 79.8 secs Computing kpt #: 169 total cpu time spent up to now is 80.3 secs Computing kpt #: 170 total cpu time spent up to now is 80.7 secs Computing kpt #: 171 total cpu time spent up to now is 81.2 secs Computing kpt #: 172 total cpu time spent up to now is 81.6 secs Computing kpt #: 173 total cpu time spent up to now is 82.1 secs Computing kpt #: 174 total cpu time spent up to now is 82.5 secs Computing kpt #: 175 total cpu time spent up to now is 82.9 secs Computing kpt #: 176 total cpu time spent up to now is 83.4 secs Computing kpt #: 177 total cpu time spent up to now is 83.8 secs Computing kpt #: 178 total cpu time spent up to now is 84.2 secs Computing kpt #: 179 total cpu time spent up to now is 84.7 secs Computing kpt #: 180 total cpu time spent up to now is 85.1 secs Computing kpt #: 181 total cpu time spent up to now is 85.5 secs Computing kpt #: 182 total cpu time spent up to now is 86.0 secs Computing kpt #: 183 total cpu time spent up to now is 86.4 secs Computing kpt #: 184 total cpu time spent up to now is 86.9 secs Computing kpt #: 185 total cpu time spent up to now is 87.3 secs Computing kpt #: 186 total cpu time spent up to now is 87.8 secs Computing kpt #: 187 total cpu time spent up to now is 88.3 secs Computing kpt #: 188 total cpu time spent up to now is 88.7 secs Computing kpt #: 189 total cpu time spent up to now is 89.2 secs Computing kpt #: 190 total cpu time spent up to now is 89.7 secs Computing kpt #: 191 total cpu time spent up to now is 90.1 secs Computing kpt #: 192 total cpu time spent up to now is 90.6 secs Computing kpt #: 193 total cpu time spent up to now is 91.1 secs Computing kpt #: 194 total cpu time spent up to now is 91.6 secs Computing kpt #: 195 total cpu time spent up to now is 92.1 secs Computing kpt #: 196 total cpu time spent up to now is 92.5 secs Computing kpt #: 197 total cpu time spent up to now is 93.0 secs Computing kpt #: 198 total cpu time spent up to now is 93.5 secs Computing kpt #: 199 total cpu time spent up to now is 94.0 secs Computing kpt #: 200 total cpu time spent up to now is 94.5 secs Computing kpt #: 201 total cpu time spent up to now is 94.9 secs Computing kpt #: 202 total cpu time spent up to now is 95.3 secs Computing kpt #: 203 total cpu time spent up to now is 95.8 secs Computing kpt #: 204 total cpu time spent up to now is 96.3 secs Computing kpt #: 205 total cpu time spent up to now is 96.7 secs Computing kpt #: 206 total cpu time spent up to now is 97.2 secs Computing kpt #: 207 total cpu time spent up to now is 97.7 secs Computing kpt #: 208 total cpu time spent up to now is 98.1 secs Computing kpt #: 209 total cpu time spent up to now is 98.6 secs Computing kpt #: 210 total cpu time spent up to now is 99.0 secs Computing kpt #: 211 total cpu time spent up to now is 99.5 secs Computing kpt #: 212 total cpu time spent up to now is 99.9 secs Computing kpt #: 213 total cpu time spent up to now is 100.3 secs Computing kpt #: 214 total cpu time spent up to now is 100.8 secs Computing kpt #: 215 total cpu time spent up to now is 101.2 secs Computing kpt #: 216 total cpu time spent up to now is 101.6 secs Computing kpt #: 217 total cpu time spent up to now is 102.1 secs Computing kpt #: 218 total cpu time spent up to now is 102.5 secs Computing kpt #: 219 total cpu time spent up to now is 102.9 secs Computing kpt #: 220 total cpu time spent up to now is 103.3 secs Computing kpt #: 221 total cpu time spent up to now is 103.7 secs Computing kpt #: 222 total cpu time spent up to now is 104.2 secs Computing kpt #: 223 total cpu time spent up to now is 104.6 secs Computing kpt #: 224 total cpu time spent up to now is 105.0 secs Computing kpt #: 225 total cpu time spent up to now is 105.4 secs Computing kpt #: 226 total cpu time spent up to now is 105.8 secs Computing kpt #: 227 total cpu time spent up to now is 106.2 secs Computing kpt #: 228 total cpu time spent up to now is 106.6 secs Computing kpt #: 229 total cpu time spent up to now is 107.0 secs Computing kpt #: 230 total cpu time spent up to now is 107.5 secs Computing kpt #: 231 total cpu time spent up to now is 107.9 secs Computing kpt #: 232 total cpu time spent up to now is 108.3 secs Computing kpt #: 233 total cpu time spent up to now is 108.8 secs Computing kpt #: 234 total cpu time spent up to now is 109.2 secs Computing kpt #: 235 total cpu time spent up to now is 109.6 secs Computing kpt #: 236 total cpu time spent up to now is 110.0 secs Computing kpt #: 237 total cpu time spent up to now is 110.5 secs Computing kpt #: 238 total cpu time spent up to now is 110.9 secs Computing kpt #: 239 total cpu time spent up to now is 111.3 secs Computing kpt #: 240 total cpu time spent up to now is 111.8 secs Computing kpt #: 241 total cpu time spent up to now is 112.2 secs Computing kpt #: 242 total cpu time spent up to now is 112.6 secs Computing kpt #: 243 total cpu time spent up to now is 113.1 secs Computing kpt #: 244 total cpu time spent up to now is 113.5 secs Computing kpt #: 245 total cpu time spent up to now is 114.0 secs Computing kpt #: 246 total cpu time spent up to now is 114.4 secs Computing kpt #: 247 total cpu time spent up to now is 114.9 secs Computing kpt #: 248 total cpu time spent up to now is 115.3 secs Computing kpt #: 249 total cpu time spent up to now is 115.7 secs Computing kpt #: 250 total cpu time spent up to now is 116.2 secs Computing kpt #: 251 total cpu time spent up to now is 116.6 secs Computing kpt #: 252 total cpu time spent up to now is 117.1 secs Computing kpt #: 253 total cpu time spent up to now is 117.5 secs Computing kpt #: 254 total cpu time spent up to now is 117.9 secs Computing kpt #: 255 total cpu time spent up to now is 118.4 secs Computing kpt #: 256 total cpu time spent up to now is 118.8 secs Computing kpt #: 257 total cpu time spent up to now is 119.3 secs Computing kpt #: 258 total cpu time spent up to now is 119.7 secs Computing kpt #: 259 total cpu time spent up to now is 120.2 secs Computing kpt #: 260 total cpu time spent up to now is 120.6 secs Computing kpt #: 261 total cpu time spent up to now is 121.0 secs Computing kpt #: 262 total cpu time spent up to now is 121.5 secs Computing kpt #: 263 total cpu time spent up to now is 121.9 secs Computing kpt #: 264 total cpu time spent up to now is 122.4 secs Computing kpt #: 265 total cpu time spent up to now is 122.9 secs Computing kpt #: 266 total cpu time spent up to now is 123.3 secs Computing kpt #: 267 total cpu time spent up to now is 123.8 secs Computing kpt #: 268 total cpu time spent up to now is 124.2 secs Computing kpt #: 269 total cpu time spent up to now is 124.6 secs Computing kpt #: 270 total cpu time spent up to now is 125.1 secs Computing kpt #: 271 total cpu time spent up to now is 125.6 secs Computing kpt #: 272 total cpu time spent up to now is 126.1 secs Computing kpt #: 273 total cpu time spent up to now is 126.6 secs Computing kpt #: 274 total cpu time spent up to now is 127.1 secs Computing kpt #: 275 total cpu time spent up to now is 127.6 secs Computing kpt #: 276 total cpu time spent up to now is 128.1 secs Computing kpt #: 277 total cpu time spent up to now is 128.6 secs Computing kpt #: 278 total cpu time spent up to now is 129.1 secs Computing kpt #: 279 total cpu time spent up to now is 129.6 secs Computing kpt #: 280 total cpu time spent up to now is 130.1 secs Computing kpt #: 281 total cpu time spent up to now is 130.6 secs Computing kpt #: 282 total cpu time spent up to now is 131.1 secs Computing kpt #: 283 total cpu time spent up to now is 131.5 secs Computing kpt #: 284 total cpu time spent up to now is 132.0 secs Computing kpt #: 285 total cpu time spent up to now is 132.4 secs Computing kpt #: 286 total cpu time spent up to now is 132.8 secs Computing kpt #: 287 total cpu time spent up to now is 133.2 secs Computing kpt #: 288 total cpu time spent up to now is 133.7 secs Computing kpt #: 289 total cpu time spent up to now is 134.1 secs Computing kpt #: 290 total cpu time spent up to now is 134.5 secs Computing kpt #: 291 total cpu time spent up to now is 135.0 secs Computing kpt #: 292 total cpu time spent up to now is 135.4 secs Computing kpt #: 293 total cpu time spent up to now is 135.9 secs Computing kpt #: 294 total cpu time spent up to now is 136.3 secs Computing kpt #: 295 total cpu time spent up to now is 136.7 secs Computing kpt #: 296 total cpu time spent up to now is 137.2 secs Computing kpt #: 297 total cpu time spent up to now is 137.6 secs Computing kpt #: 298 total cpu time spent up to now is 138.1 secs Computing kpt #: 299 total cpu time spent up to now is 138.5 secs Computing kpt #: 300 total cpu time spent up to now is 139.0 secs Computing kpt #: 301 total cpu time spent up to now is 139.4 secs Computing kpt #: 302 total cpu time spent up to now is 139.9 secs Computing kpt #: 303 total cpu time spent up to now is 140.3 secs Computing kpt #: 304 total cpu time spent up to now is 140.7 secs Computing kpt #: 305 total cpu time spent up to now is 141.2 secs Computing kpt #: 306 total cpu time spent up to now is 141.6 secs Computing kpt #: 307 total cpu time spent up to now is 142.0 secs Computing kpt #: 308 total cpu time spent up to now is 142.5 secs Computing kpt #: 309 total cpu time spent up to now is 142.9 secs Computing kpt #: 310 total cpu time spent up to now is 143.4 secs Computing kpt #: 311 total cpu time spent up to now is 143.8 secs Computing kpt #: 312 total cpu time spent up to now is 144.2 secs Computing kpt #: 313 total cpu time spent up to now is 144.7 secs Computing kpt #: 314 total cpu time spent up to now is 145.1 secs Computing kpt #: 315 total cpu time spent up to now is 145.6 secs Computing kpt #: 316 total cpu time spent up to now is 146.0 secs Computing kpt #: 317 total cpu time spent up to now is 146.4 secs Computing kpt #: 318 total cpu time spent up to now is 146.9 secs Computing kpt #: 319 total cpu time spent up to now is 147.3 secs Computing kpt #: 320 total cpu time spent up to now is 147.7 secs Computing kpt #: 321 total cpu time spent up to now is 148.2 secs Computing kpt #: 322 total cpu time spent up to now is 148.7 secs Computing kpt #: 323 total cpu time spent up to now is 149.1 secs ethr = 2.50E-08, avg # of iterations = 19.8 total cpu time spent up to now is 149.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2739 PWs) bands (ev): -23.2621 -23.2621 -22.2188 -22.2188 -22.0592 -22.0592 -22.0504 -22.0504 -6.9011 -6.9011 -5.9873 -5.9873 -5.9528 -5.9528 -5.2277 -5.2277 -5.0221 -5.0221 -4.9971 -4.9971 -4.9821 -4.9821 -4.7118 -4.7118 -3.6292 -3.6292 -3.3173 -3.3173 -2.7937 -2.7937 -2.5231 -2.5231 10.0665 10.0665 11.7078 11.7078 11.7438 11.7438 13.0185 13.0185 13.3223 13.3223 13.7508 13.7508 15.1312 15.1312 15.2424 15.2424 k = 0.0000 0.0000 0.0168 ( 2743 PWs) bands (ev): -23.2617 -23.2617 -22.2198 -22.2198 -22.0586 -22.0586 -22.0504 -22.0504 -6.9004 -6.9004 -5.9926 -5.9926 -5.9482 -5.9482 -5.2277 -5.2277 -5.0292 -5.0292 -4.9880 -4.9880 -4.9823 -4.9823 -4.7112 -4.7112 -3.6300 -3.6300 -3.3174 -3.3174 -2.7946 -2.7946 -2.5240 -2.5240 10.0693 10.0693 11.7050 11.7050 11.7426 11.7426 13.0254 13.0254 13.3240 13.3240 13.7466 13.7466 15.1240 15.1240 15.2385 15.2385 k = 0.0000 0.0000 0.0337 ( 2745 PWs) bands (ev): -23.2607 -23.2607 -22.2227 -22.2227 -22.0569 -22.0569 -22.0504 -22.0504 -6.8984 -6.8984 -6.0044 -6.0044 -5.9386 -5.9386 -5.2276 -5.2276 -5.0405 -5.0405 -4.9831 -4.9831 -4.9705 -4.9705 -4.7097 -4.7097 -3.6324 -3.6324 -3.3174 -3.3174 -2.7972 -2.7972 -2.5266 -2.5266 10.0778 10.0778 11.6939 11.6939 11.7419 11.7419 13.0456 13.0456 13.3288 13.3288 13.7340 13.7340 15.0974 15.0974 15.2216 15.2216 k = 0.0000 0.0000 0.0505 ( 2749 PWs) bands (ev): -23.2591 -23.2591 -22.2275 -22.2275 -22.0541 -22.0541 -22.0504 -22.0504 -6.8952 -6.8952 -6.0188 -6.0188 -5.9278 -5.9278 -5.2274 -5.2274 -5.0511 -5.0511 -4.9842 -4.9842 -4.9498 -4.9498 -4.7071 -4.7071 -3.6364 -3.6364 -3.3174 -3.3174 -2.8017 -2.8017 -2.5310 -2.5310 10.0918 10.0918 11.6722 11.6722 11.7454 11.7454 13.0776 13.0776 13.3369 13.3369 13.7129 13.7129 15.0385 15.0385 15.1572 15.1572 k = 0.0000 0.0000 0.0674 ( 2753 PWs) bands (ev): -23.2568 -23.2568 -22.2339 -22.2339 -22.0507 -22.0507 -22.0503 -22.0503 -6.8906 -6.8906 -6.0346 -6.0346 -5.9169 -5.9169 -5.2272 -5.2272 -5.0603 -5.0603 -4.9857 -4.9857 -4.9268 -4.9268 -4.7036 -4.7036 -3.6420 -3.6420 -3.3176 -3.3176 -2.8080 -2.8080 -2.5370 -2.5370 10.1114 10.1114 11.6415 11.6415 11.7531 11.7531 13.1194 13.1194 13.3483 13.3483 13.6834 13.6834 14.9485 14.9485 15.0999 15.0999 k = 0.0000 0.0000 0.0842 ( 2751 PWs) bands (ev): -23.2538 -23.2538 -22.2417 -22.2417 -22.0504 -22.0504 -22.0463 -22.0463 -6.8848 -6.8848 -6.0514 -6.0514 -5.9061 -5.9061 -5.2270 -5.2270 -5.0679 -5.0679 -4.9876 -4.9876 -4.9017 -4.9017 -4.6990 -4.6990 -3.6491 -3.6491 -3.3178 -3.3178 -2.8161 -2.8161 -2.5445 -2.5445 10.1364 10.1364 11.6045 11.6045 11.7641 11.7641 13.1687 13.1687 13.3628 13.3628 13.6455 13.6455 14.8449 14.8449 15.0450 15.0450 k = 0.0000 0.0000 0.1011 ( 2741 PWs) bands (ev): -23.2502 -23.2502 -22.2508 -22.2508 -22.0504 -22.0504 -22.0417 -22.0417 -6.8779 -6.8779 -6.0689 -6.0689 -5.8954 -5.8954 -5.2266 -5.2266 -5.0740 -5.0740 -4.9897 -4.9897 -4.8748 -4.8748 -4.6935 -4.6935 -3.6579 -3.6579 -3.3180 -3.3180 -2.8260 -2.8260 -2.5534 -2.5534 10.1667 10.1667 11.5635 11.5635 11.7781 11.7781 13.2229 13.2229 13.3805 13.3805 13.5996 13.5996 14.7375 14.7375 14.9887 14.9887 k = 0.0000 0.0000 0.1179 ( 2737 PWs) bands (ev): -23.2460 -23.2460 -22.2609 -22.2609 -22.0503 -22.0503 -22.0367 -22.0367 -6.8699 -6.8699 -6.0870 -6.0870 -5.8849 -5.8849 -5.2262 -5.2262 -5.0786 -5.0786 -4.9920 -4.9920 -4.8464 -4.8464 -4.6869 -4.6869 -3.6684 -3.6684 -3.3185 -3.3185 -2.8377 -2.8377 -2.5635 -2.5635 10.2021 10.2021 11.5203 11.5203 11.7945 11.7945 13.2789 13.2789 13.4013 13.4013 13.5466 13.5466 14.6298 14.6298 14.9318 14.9318 k = 0.0000 0.0000 0.1347 ( 2737 PWs) bands (ev): -23.2411 -23.2411 -22.2719 -22.2719 -22.0503 -22.0503 -22.0316 -22.0316 -6.8609 -6.8609 -6.1055 -6.1055 -5.8745 -5.8745 -5.2258 -5.2258 -5.0819 -5.0819 -4.9944 -4.9944 -4.8169 -4.8169 -4.6790 -4.6790 -3.6805 -3.6805 -3.3191 -3.3191 -2.8511 -2.8511 -2.5746 -2.5746 10.2424 10.2424 11.4765 11.4765 11.8133 11.8133 13.3316 13.3316 13.4253 13.4253 13.4897 13.4897 14.5237 14.5237 14.8762 14.8762 k = 0.0000 0.0000 0.1516 ( 2747 PWs) bands (ev): -23.2357 -23.2357 -22.2836 -22.2836 -22.0503 -22.0503 -22.0264 -22.0264 -6.8510 -6.8510 -6.1244 -6.1244 -5.8640 -5.8640 -5.2251 -5.2251 -5.0840 -5.0840 -4.9968 -4.9968 -4.7868 -4.7868 -4.6696 -4.6696 -3.6943 -3.6943 -3.3199 -3.3199 -2.8663 -2.8663 -2.5865 -2.5865 10.2874 10.2874 11.4334 11.4334 11.8341 11.8341 13.3581 13.3581 13.4499 13.4499 13.4525 13.4525 14.4198 14.4198 14.8235 14.8235 k = 0.0000 0.0000 0.1684 ( 2747 PWs) bands (ev): -23.2298 -23.2298 -22.2960 -22.2960 -22.0503 -22.0503 -22.0212 -22.0212 -6.8404 -6.8404 -6.1434 -6.1434 -5.8535 -5.8535 -5.2243 -5.2243 -5.0850 -5.0850 -4.9990 -4.9990 -4.7571 -4.7571 -4.6578 -4.6578 -3.7098 -3.7098 -3.3209 -3.3209 -2.8833 -2.8833 -2.5991 -2.5991 10.3366 10.3366 11.3921 11.3921 11.8569 11.8569 13.3115 13.3115 13.4733 13.4733 13.4824 13.4824 14.3187 14.3187 14.7754 14.7754 k = 0.0000 0.0000 0.1853 ( 2747 PWs) bands (ev): -23.2233 -23.2233 -22.3088 -22.3088 -22.0502 -22.0502 -22.0161 -22.0161 -6.8290 -6.8290 -6.1624 -6.1624 -5.8429 -5.8429 -5.2233 -5.2233 -5.0851 -5.0851 -5.0011 -5.0011 -4.7295 -4.7295 -4.6423 -4.6423 -3.7271 -3.7271 -3.3221 -3.3221 -2.9019 -2.9019 -2.6121 -2.6121 10.3897 10.3897 11.3536 11.3536 11.8814 11.8814 13.2341 13.2341 13.5147 13.5147 13.5163 13.5163 14.2209 14.2209 14.7334 14.7334 k = 0.0000 0.0000 0.2021 ( 2741 PWs) bands (ev): -23.2164 -23.2164 -22.3221 -22.3221 -22.0502 -22.0502 -22.0112 -22.0112 -6.8172 -6.8172 -6.1814 -6.1814 -5.8321 -5.8321 -5.2220 -5.2220 -5.0845 -5.0845 -5.0028 -5.0028 -4.7058 -4.7058 -4.6214 -4.6214 -3.7461 -3.7461 -3.3235 -3.3235 -2.9221 -2.9221 -2.6254 -2.6254 10.4462 10.4462 11.3188 11.3188 11.9073 11.9073 13.1473 13.1473 13.5510 13.5510 13.5546 13.5546 14.1267 14.1267 14.6989 14.6989 k = 0.0000 0.0000 0.2189 ( 2749 PWs) bands (ev): -23.2090 -23.2090 -22.3358 -22.3358 -22.0502 -22.0502 -22.0064 -22.0064 -6.8049 -6.8049 -6.2002 -6.2002 -5.8212 -5.8212 -5.2204 -5.2204 -5.0833 -5.0833 -5.0039 -5.0039 -4.6871 -4.6871 -4.5943 -4.5943 -3.7670 -3.7670 -3.3252 -3.3252 -2.9439 -2.9439 -2.6386 -2.6386 10.5054 10.5054 11.2888 11.2888 11.9344 11.9344 13.0550 13.0550 13.5841 13.5841 13.5900 13.5900 14.0363 14.0363 14.6729 14.6729 k = 0.0000 0.0000 0.2358 ( 2747 PWs) bands (ev): -23.2012 -23.2012 -22.3496 -22.3496 -22.0501 -22.0501 -22.0018 -22.0018 -6.7924 -6.7924 -6.2186 -6.2186 -5.8101 -5.8101 -5.2183 -5.2183 -5.0818 -5.0818 -5.0043 -5.0043 -4.6725 -4.6725 -4.5622 -4.5622 -3.7896 -3.7896 -3.3272 -3.3272 -2.9672 -2.9672 -2.6518 -2.6518 10.5663 10.5663 11.2647 11.2647 11.9625 11.9625 12.9591 12.9591 13.6028 13.6028 13.6312 13.6312 13.9501 13.9501 14.6563 14.6563 k = 0.0000 0.0000 0.2526 ( 2747 PWs) bands (ev): -23.1930 -23.1930 -22.3637 -22.3637 -22.0501 -22.0501 -21.9974 -21.9974 -6.7796 -6.7796 -6.2367 -6.2367 -5.7988 -5.7988 -5.2158 -5.2158 -5.0802 -5.0802 -5.0036 -5.0036 -4.6606 -4.6606 -4.5267 -4.5267 -3.8139 -3.8139 -3.3294 -3.3294 -2.9917 -2.9917 -2.6646 -2.6646 10.6278 10.6278 11.2477 11.2477 11.9912 11.9912 12.8606 12.8606 13.6085 13.6085 13.6752 13.6752 13.8683 13.8683 14.6493 14.6493 k = 0.0000 0.0000 0.2695 ( 2751 PWs) bands (ev): -23.1846 -23.1846 -22.3778 -22.3778 -22.0501 -22.0501 -21.9933 -21.9933 -6.7669 -6.7669 -6.2542 -6.2542 -5.7876 -5.7876 -5.2129 -5.2129 -5.0787 -5.0787 -5.0017 -5.0017 -4.6502 -4.6502 -4.4893 -4.4893 -3.8399 -3.8399 -3.3318 -3.3318 -3.0175 -3.0175 -2.6770 -2.6770 10.6880 10.6880 11.2395 11.2395 12.0203 12.0203 12.7606 12.7606 13.6005 13.6005 13.7216 13.7216 13.7912 13.7912 14.6516 14.6516 k = 0.0000 0.0000 0.2863 ( 2755 PWs) bands (ev): -23.1759 -23.1759 -22.3919 -22.3919 -22.0500 -22.0500 -21.9894 -21.9894 -6.7543 -6.7543 -6.2712 -6.2712 -5.7763 -5.7763 -5.2095 -5.2095 -5.0775 -5.0775 -4.9982 -4.9982 -4.6407 -4.6407 -4.4508 -4.4508 -3.8673 -3.8673 -3.3344 -3.3344 -3.0444 -3.0444 -2.6889 -2.6889 10.7449 10.7449 11.2423 11.2423 12.0495 12.0495 12.6601 12.6601 13.5790 13.5790 13.7194 13.7194 13.7703 13.7703 14.6619 14.6619 k = 0.0000 0.0000 0.3032 ( 2759 PWs) bands (ev): -23.1670 -23.1670 -22.4059 -22.4059 -22.0500 -22.0500 -21.9857 -21.9857 -6.7419 -6.7419 -6.2875 -6.2875 -5.7651 -5.7651 -5.2056 -5.2056 -5.0770 -5.0770 -4.9930 -4.9930 -4.6317 -4.6317 -4.4120 -4.4120 -3.8959 -3.8959 -3.3372 -3.3372 -3.0722 -3.0722 -2.7001 -2.7001 10.7961 10.7961 11.2583 11.2583 12.0785 12.0785 12.5599 12.5599 13.5449 13.5449 13.6528 13.6528 13.8212 13.8212 14.6788 14.6788 k = 0.0000 0.0000 0.3200 ( 2759 PWs) bands (ev): -23.1581 -23.1581 -22.4198 -22.4198 -22.0500 -22.0500 -21.9823 -21.9823 -6.7298 -6.7298 -6.3031 -6.3031 -5.7541 -5.7541 -5.2012 -5.2012 -5.0770 -5.0770 -4.9858 -4.9858 -4.6231 -4.6231 -4.3737 -4.3737 -3.9254 -3.9254 -3.3403 -3.3403 -3.1007 -3.1007 -2.7107 -2.7107 10.8397 10.8397 11.2892 11.2892 12.1069 12.1069 12.4610 12.4610 13.5003 13.5003 13.5908 13.5908 13.8740 13.8740 14.7003 14.7003 k = 0.0000 0.0000 0.3368 ( 2765 PWs) bands (ev): -23.1491 -23.1491 -22.4333 -22.4333 -22.0499 -22.0499 -21.9792 -21.9792 -6.7182 -6.7182 -6.3178 -6.3178 -5.7434 -5.7434 -5.1965 -5.1965 -5.0777 -5.0777 -4.9768 -4.9768 -4.6146 -4.6146 -4.3365 -4.3365 -3.9549 -3.9549 -3.3436 -3.3436 -3.1298 -3.1298 -2.7205 -2.7205 10.8751 10.8751 11.3349 11.3349 12.1343 12.1343 12.3641 12.3641 13.4482 13.4482 13.5318 13.5318 13.9285 13.9285 14.7248 14.7248 k = 0.0000 0.0000 0.3537 ( 2773 PWs) bands (ev): -23.1402 -23.1402 -22.4465 -22.4465 -22.0499 -22.0499 -21.9763 -21.9763 -6.7071 -6.7071 -6.3318 -6.3318 -5.7331 -5.7331 -5.1915 -5.1915 -5.0789 -5.0789 -4.9659 -4.9659 -4.6061 -4.6061 -4.3020 -4.3020 -3.9834 -3.9834 -3.3471 -3.3471 -3.1591 -3.1591 -2.7295 -2.7295 10.9038 10.9038 11.3938 11.3938 12.1598 12.1598 12.2709 12.2709 13.3912 13.3912 13.4746 13.4746 13.9843 13.9843 14.7507 14.7507 k = 0.0000 0.0000 0.3705 ( 2761 PWs) bands (ev): -23.1315 -23.1315 -22.4591 -22.4591 -22.0499 -22.0499 -21.9736 -21.9736 -6.6966 -6.6966 -6.3448 -6.3448 -5.7234 -5.7234 -5.1862 -5.1862 -5.0806 -5.0806 -4.9533 -4.9533 -4.5976 -4.5976 -4.2720 -4.2720 -4.0088 -4.0088 -3.3511 -3.3511 -3.1882 -3.1882 -2.7377 -2.7377 10.9280 10.9280 11.4624 11.4624 12.1662 12.1662 12.1995 12.1995 13.3300 13.3300 13.4196 13.4196 14.0412 14.0412 14.7768 14.7768 k = 0.0000 0.0000 0.3874 ( 2770 PWs) bands (ev): -23.1231 -23.1231 -22.4712 -22.4712 -22.0499 -22.0499 -21.9713 -21.9713 -6.6868 -6.6868 -6.3568 -6.3568 -5.7143 -5.7143 -5.1807 -5.1807 -5.0827 -5.0827 -4.9392 -4.9392 -4.5887 -4.5887 -4.2502 -4.2502 -4.0277 -4.0277 -3.3557 -3.3557 -3.2168 -3.2168 -2.7450 -2.7450 10.9501 10.9501 11.5368 11.5368 12.0912 12.0912 12.2135 12.2135 13.2639 13.2639 13.3684 13.3684 14.0985 14.0985 14.8021 14.8021 k = 0.0000 0.0000 0.4042 ( 2774 PWs) bands (ev): -23.1151 -23.1151 -22.4824 -22.4824 -22.0498 -22.0498 -21.9691 -21.9691 -6.6779 -6.6779 -6.3677 -6.3677 -5.7060 -5.7060 -5.1753 -5.1753 -5.0851 -5.0851 -4.9240 -4.9240 -4.5794 -4.5794 -4.2413 -4.2413 -4.0354 -4.0354 -3.3613 -3.3613 -3.2440 -3.2440 -2.7515 -2.7515 10.9720 10.9720 11.6116 11.6116 12.0169 12.0169 12.2345 12.2345 13.1925 13.1925 13.3225 13.3225 14.1559 14.1559 14.8259 14.8259 k = 0.0000 0.0000 0.4211 ( 2778 PWs) bands (ev): -23.1076 -23.1076 -22.4928 -22.4928 -22.0498 -22.0498 -21.9673 -21.9673 -6.6697 -6.6697 -6.3776 -6.3776 -5.6985 -5.6985 -5.1699 -5.1699 -5.0876 -5.0876 -4.9080 -4.9080 -4.5693 -4.5693 -4.2478 -4.2478 -4.0295 -4.0295 -3.3685 -3.3685 -3.2689 -3.2689 -2.7573 -2.7573 10.9947 10.9947 11.6757 11.6757 11.9612 11.9612 12.2541 12.2541 13.1159 13.1159 13.2823 13.2823 14.2124 14.2124 14.8477 14.8477 k = 0.0000 0.0000 0.4379 ( 2782 PWs) bands (ev): -23.1007 -23.1007 -22.5022 -22.5022 -22.0498 -22.0498 -21.9657 -21.9657 -6.6625 -6.6625 -6.3864 -6.3864 -5.6919 -5.6919 -5.1647 -5.1647 -5.0902 -5.0902 -4.8918 -4.8918 -4.5581 -4.5581 -4.2669 -4.2669 -4.0130 -4.0130 -3.3783 -3.3783 -3.2900 -3.2900 -2.7622 -2.7622 11.0189 11.0189 11.7039 11.7039 11.9490 11.9490 12.2715 12.2715 13.0350 13.0350 13.2478 13.2478 14.2673 14.2673 14.8670 14.8670 k = 0.0000 0.0000 0.4547 ( 2782 PWs) bands (ev): -23.0947 -23.0947 -22.5104 -22.5104 -22.0498 -22.0498 -21.9643 -21.9643 -6.6562 -6.6562 -6.3939 -6.3939 -5.6862 -5.6862 -5.1599 -5.1599 -5.0929 -5.0929 -4.8760 -4.8760 -4.5454 -4.5454 -4.2936 -4.2936 -3.9911 -3.9911 -3.3912 -3.3912 -3.3062 -3.3062 -2.7663 -2.7663 11.0446 11.0446 11.6822 11.6822 11.9941 11.9941 12.2866 12.2866 12.9506 12.9506 13.2189 13.2189 14.3192 14.3192 14.8837 14.8837 k = 0.0000 0.0000 0.4716 ( 2784 PWs) bands (ev): -23.0895 -23.0895 -22.5173 -22.5173 -22.0498 -22.0498 -21.9632 -21.9632 -6.6510 -6.6510 -6.4002 -6.4002 -5.6816 -5.6816 -5.1555 -5.1555 -5.0954 -5.0954 -4.8614 -4.8614 -4.5308 -4.5308 -4.3240 -4.3240 -3.9682 -3.9682 -3.4063 -3.4063 -3.3173 -3.3173 -2.7696 -2.7696 11.0712 11.0712 11.6370 11.6370 12.0701 12.0701 12.2992 12.2992 12.8637 12.8637 13.1953 13.1953 14.3665 14.3665 14.8975 14.8975 k = 0.0000 0.0000 0.4884 ( 2788 PWs) bands (ev): -23.0854 -23.0854 -22.5228 -22.5228 -22.0497 -22.0497 -21.9623 -21.9623 -6.6468 -6.6468 -6.4051 -6.4051 -5.6780 -5.6780 -5.1518 -5.1518 -5.0977 -5.0977 -4.8488 -4.8488 -4.5139 -4.5139 -4.3556 -4.3556 -3.9472 -3.9472 -3.4216 -3.4216 -3.3244 -3.3244 -2.7722 -2.7722 11.0974 11.0974 11.5893 11.5893 12.1562 12.1562 12.3091 12.3091 12.7759 12.7759 13.1771 13.1771 14.4073 14.4073 14.9083 14.9083 k = 0.0000 0.0000 0.5053 ( 2786 PWs) bands (ev): -23.0823 -23.0823 -22.5268 -22.5268 -22.0497 -22.0497 -21.9617 -21.9617 -6.6438 -6.6438 -6.4087 -6.4087 -5.6754 -5.6754 -5.1488 -5.1488 -5.0995 -5.0995 -4.8392 -4.8392 -4.4943 -4.4943 -4.3869 -4.3869 -3.9303 -3.9303 -3.4347 -3.4347 -3.3287 -3.3287 -2.7740 -2.7740 11.1209 11.1209 11.5484 11.5484 12.2430 12.2430 12.3162 12.3162 12.6898 12.6898 13.1641 13.1641 14.4392 14.4392 14.9161 14.9161 k = 0.0000 0.0000 0.5221 ( 2782 PWs) bands (ev): -23.0805 -23.0805 -22.5293 -22.5293 -22.0497 -22.0497 -21.9613 -21.9613 -6.6420 -6.6420 -6.4109 -6.4109 -5.6738 -5.6738 -5.1470 -5.1470 -5.1008 -5.1008 -4.8331 -4.8331 -4.4721 -4.4721 -4.4166 -4.4166 -3.9194 -3.9194 -3.4435 -3.4435 -3.3310 -3.3310 -2.7751 -2.7751 11.1378 11.1378 11.5204 11.5204 12.3191 12.3191 12.3216 12.3216 12.6137 12.6137 13.1563 13.1563 14.4596 14.4596 14.9207 14.9207 k = 0.0000 0.0000 0.5390 ( 2790 PWs) bands (ev): -23.0799 -23.0799 -22.5301 -22.5301 -22.0497 -22.0497 -21.9612 -21.9612 -6.6414 -6.6414 -6.4116 -6.4116 -5.6733 -5.6733 -5.1463 -5.1463 -5.1012 -5.1012 -4.8310 -4.8310 -4.4528 -4.4528 -4.4384 -4.4384 -3.9156 -3.9156 -3.4466 -3.4466 -3.3317 -3.3317 -2.7755 -2.7755 11.1441 11.1441 11.5103 11.5103 12.3219 12.3219 12.3578 12.3578 12.5766 12.5766 13.1537 13.1537 14.4667 14.4667 14.9223 14.9223 k = 0.0000 0.0000 0.5390 ( 2790 PWs) bands (ev): -23.0799 -23.0799 -22.5301 -22.5301 -22.0497 -22.0497 -21.9612 -21.9612 -6.6414 -6.6414 -6.4116 -6.4116 -5.6733 -5.6733 -5.1463 -5.1463 -5.1012 -5.1012 -4.8310 -4.8310 -4.4528 -4.4528 -4.4384 -4.4384 -3.9156 -3.9156 -3.4466 -3.4466 -3.3317 -3.3317 -2.7755 -2.7755 11.1441 11.1441 11.5103 11.5103 12.3219 12.3219 12.3578 12.3578 12.5766 12.5766 13.1537 13.1537 14.4667 14.4667 14.9223 14.9223 k =-0.0156 0.0063 0.5390 ( 2786 PWs) bands (ev): -23.0795 -23.0795 -22.5301 -22.5301 -22.0521 -22.0521 -21.9593 -21.9593 -6.6405 -6.6405 -6.4122 -6.4122 -5.6737 -5.6737 -5.1461 -5.1461 -5.1004 -5.1004 -4.8301 -4.8301 -4.4572 -4.4572 -4.4337 -4.4337 -3.9156 -3.9156 -3.4474 -3.4474 -3.3317 -3.3317 -2.7769 -2.7769 11.1430 11.1430 11.5124 11.5124 12.3030 12.3030 12.3769 12.3769 12.5767 12.5767 13.1488 13.1488 14.4682 14.4682 14.9245 14.9245 k =-0.0312 0.0126 0.5390 ( 2772 PWs) bands (ev): -23.0782 -23.0782 -22.5301 -22.5301 -22.0588 -22.0588 -21.9541 -21.9541 -6.6379 -6.6379 -6.4139 -6.4139 -5.6748 -5.6748 -5.1456 -5.1456 -5.0979 -5.0979 -4.8274 -4.8274 -4.4648 -4.4648 -4.4252 -4.4252 -3.9158 -3.9158 -3.4498 -3.4498 -3.3318 -3.3318 -2.7812 -2.7812 11.1398 11.1398 11.5187 11.5187 12.2734 12.2734 12.4070 12.4070 12.5770 12.5770 13.1342 13.1342 14.4728 14.4728 14.9311 14.9311 k =-0.0469 0.0189 0.5390 ( 2772 PWs) bands (ev): -23.0762 -23.0762 -22.5301 -22.5301 -22.0686 -22.0686 -21.9467 -21.9467 -6.6335 -6.6335 -6.4167 -6.4167 -5.6767 -5.6767 -5.1449 -5.1449 -5.0938 -5.0938 -4.8229 -4.8229 -4.4728 -4.4728 -4.4157 -4.4157 -3.9161 -3.9161 -3.4539 -3.4539 -3.3319 -3.3319 -2.7882 -2.7882 11.1345 11.1345 11.5293 11.5293 12.2433 12.2433 12.4380 12.4380 12.5776 12.5776 13.1106 13.1106 14.4804 14.4804 14.9422 14.9422 k =-0.0625 0.0251 0.5390 ( 2774 PWs) bands (ev): -23.0734 -23.0734 -22.5301 -22.5301 -22.0806 -22.0806 -21.9381 -21.9381 -6.6277 -6.6277 -6.4202 -6.4202 -5.6793 -5.6793 -5.1439 -5.1439 -5.0882 -5.0882 -4.8167 -4.8167 -4.4805 -4.4805 -4.4058 -4.4058 -3.9166 -3.9166 -3.4595 -3.4595 -3.3322 -3.3322 -2.7980 -2.7980 11.1268 11.1268 11.5439 11.5439 12.2141 12.2141 12.4687 12.4687 12.5785 12.5785 13.0787 13.0787 14.4910 14.4910 14.9578 14.9578 k =-0.0781 0.0314 0.5390 ( 2770 PWs) bands (ev): -23.0697 -23.0697 -22.5300 -22.5300 -22.0941 -22.0941 -21.9289 -21.9289 -6.6206 -6.6206 -6.4242 -6.4242 -5.6827 -5.6827 -5.1427 -5.1427 -5.0810 -5.0810 -4.8087 -4.8087 -4.4879 -4.4879 -4.3957 -4.3957 -3.9172 -3.9172 -3.4665 -3.4665 -3.3325 -3.3325 -2.8105 -2.8105 11.1167 11.1167 11.5627 11.5627 12.1865 12.1865 12.4985 12.4985 12.5801 12.5801 13.0394 13.0394 14.5047 14.5047 14.9778 14.9778 k =-0.0938 0.0377 0.5390 ( 2774 PWs) bands (ev): -23.0653 -23.0653 -22.5300 -22.5300 -22.1087 -22.1087 -21.9195 -21.9195 -6.6126 -6.6126 -6.4282 -6.4282 -5.6869 -5.6869 -5.1415 -5.1415 -5.0725 -5.0725 -4.7990 -4.7990 -4.4948 -4.4948 -4.3853 -4.3853 -3.9179 -3.9179 -3.4750 -3.4750 -3.3331 -3.3331 -2.8256 -2.8256 11.1040 11.1040 11.5855 11.5855 12.1610 12.1610 12.5264 12.5264 12.5827 12.5827 12.9940 12.9940 14.5214 14.5214 15.0025 15.0025 k =-0.1094 0.0440 0.5390 ( 2770 PWs) bands (ev): -23.0601 -23.0601 -22.5300 -22.5300 -22.1242 -22.1242 -21.9101 -21.9101 -6.6042 -6.6042 -6.4315 -6.4315 -5.6917 -5.6917 -5.1401 -5.1401 -5.0629 -5.0629 -4.7876 -4.7876 -4.5011 -4.5011 -4.3748 -4.3748 -3.9187 -3.9187 -3.4848 -3.4848 -3.3339 -3.3339 -2.8432 -2.8432 11.0887 11.0887 11.6121 11.6121 12.1380 12.1380 12.5506 12.5506 12.5884 12.5884 12.9435 12.9435 14.5411 14.5411 15.0316 15.0316 k =-0.1250 0.0503 0.5390 ( 2766 PWs) bands (ev): -23.0541 -23.0541 -22.5299 -22.5299 -22.1405 -22.1405 -21.9009 -21.9009 -6.5962 -6.5962 -6.4334 -6.4334 -5.6972 -5.6972 -5.1387 -5.1387 -5.0525 -5.0525 -4.7745 -4.7745 -4.5069 -4.5069 -4.3643 -4.3643 -3.9195 -3.9195 -3.4959 -3.4959 -3.3348 -3.3348 -2.8632 -2.8632 11.0706 11.0706 11.6425 11.6425 12.1180 12.1180 12.5663 12.5663 12.6017 12.6017 12.8891 12.8891 14.5638 14.5638 15.0654 15.0654 k =-0.1406 0.0566 0.5390 ( 2770 PWs) bands (ev): -23.0473 -23.0473 -22.5299 -22.5299 -22.1573 -22.1573 -21.8920 -21.8920 -6.5896 -6.5896 -6.4328 -6.4328 -5.7033 -5.7033 -5.1371 -5.1371 -5.0417 -5.0417 -4.7597 -4.7597 -4.5119 -4.5119 -4.3536 -4.3536 -3.9205 -3.9205 -3.5082 -3.5082 -3.3361 -3.3361 -2.8856 -2.8856 11.0498 11.0498 11.6766 11.6766 12.1014 12.1014 12.5734 12.5734 12.6224 12.6224 12.8318 12.8318 14.5894 14.5894 15.1036 15.1036 k =-0.1562 0.0629 0.5390 ( 2770 PWs) bands (ev): -23.0399 -23.0399 -22.5299 -22.5299 -22.1746 -22.1746 -21.8834 -21.8834 -6.5854 -6.5854 -6.4285 -6.4285 -5.7100 -5.7100 -5.1355 -5.1355 -5.0307 -5.0307 -4.7432 -4.7432 -4.5162 -4.5162 -4.3430 -4.3430 -3.9216 -3.9216 -3.5216 -3.5216 -3.3375 -3.3375 -2.9100 -2.9100 11.0262 11.0262 11.7140 11.7140 12.0885 12.0885 12.5770 12.5770 12.6452 12.6452 12.7727 12.7727 14.6179 14.6179 15.1463 15.1463 k =-0.1719 0.0692 0.5390 ( 2770 PWs) bands (ev): -23.0317 -23.0317 -22.5298 -22.5298 -22.1924 -22.1924 -21.8752 -21.8752 -6.5842 -6.5842 -6.4200 -6.4200 -5.7171 -5.7171 -5.1339 -5.1339 -5.0199 -5.0199 -4.7250 -4.7250 -4.5196 -4.5196 -4.3323 -4.3323 -3.9227 -3.9227 -3.5360 -3.5360 -3.3392 -3.3392 -2.9365 -2.9365 11.0000 11.0000 11.7547 11.7547 12.0794 12.0794 12.5790 12.5790 12.6673 12.6673 12.7134 12.7134 14.6493 14.6493 15.1932 15.1932 k =-0.1875 0.0754 0.5390 ( 2778 PWs) bands (ev): -23.0228 -23.0228 -22.5298 -22.5298 -22.2105 -22.2105 -21.8673 -21.8673 -6.5861 -6.5861 -6.4070 -6.4070 -5.7246 -5.7246 -5.1322 -5.1322 -5.0098 -5.0098 -4.7052 -4.7052 -4.5221 -4.5221 -4.3218 -4.3218 -3.9238 -3.9238 -3.5514 -3.5514 -3.3411 -3.3411 -2.9648 -2.9648 10.9715 10.9715 11.7984 11.7984 12.0742 12.0742 12.5785 12.5785 12.6542 12.6542 12.6900 12.6900 14.6836 14.6836 15.2442 15.2442 k =-0.2031 0.0817 0.5390 ( 2778 PWs) bands (ev): -23.0133 -23.0133 -22.5297 -22.5297 -22.2290 -22.2290 -21.8598 -21.8598 -6.5908 -6.5908 -6.3899 -6.3899 -5.7324 -5.7324 -5.1304 -5.1304 -5.0007 -5.0007 -4.6839 -4.6839 -4.5235 -4.5235 -4.3114 -4.3114 -3.9249 -3.9249 -3.5677 -3.5677 -3.3432 -3.3432 -2.9948 -2.9948 10.9409 10.9409 11.8448 11.8448 12.0730 12.0730 12.5638 12.5638 12.6113 12.6113 12.7091 12.7091 14.7207 14.7207 15.2990 15.2990 k =-0.2188 0.0880 0.5390 ( 2772 PWs) bands (ev): -23.0031 -23.0031 -22.5297 -22.5297 -22.2478 -22.2478 -21.8528 -21.8528 -6.5976 -6.5976 -6.3694 -6.3694 -5.7403 -5.7403 -5.1286 -5.1286 -4.9927 -4.9927 -4.6614 -4.6614 -4.5236 -4.5236 -4.3012 -4.3012 -3.9259 -3.9259 -3.5847 -3.5847 -3.3456 -3.3456 -3.0263 -3.0263 10.9086 10.9086 11.8936 11.8936 12.0757 12.0757 12.5169 12.5169 12.6012 12.6012 12.7268 12.7268 14.7605 14.7605 15.3571 15.3571 k =-0.2344 0.0943 0.5390 ( 2774 PWs) bands (ev): -22.9923 -22.9923 -22.5296 -22.5296 -22.2668 -22.2668 -21.8461 -21.8461 -6.6059 -6.6059 -6.3461 -6.3461 -5.7484 -5.7484 -5.1268 -5.1268 -4.9862 -4.9862 -4.6380 -4.6380 -4.5219 -4.5219 -4.2912 -4.2912 -3.9268 -3.9268 -3.6024 -3.6024 -3.3481 -3.3481 -3.0591 -3.0591 10.8751 10.8751 11.9444 11.9444 12.0822 12.0822 12.4605 12.4605 12.6020 12.6020 12.7425 12.7425 14.8031 14.8031 15.4182 15.4182 k =-0.2500 0.1006 0.5390 ( 2768 PWs) bands (ev): -22.9810 -22.9810 -22.5295 -22.5295 -22.2859 -22.2859 -21.8398 -21.8398 -6.6152 -6.6152 -6.3207 -6.3207 -5.7564 -5.7564 -5.1250 -5.1250 -4.9812 -4.9812 -4.6146 -4.6146 -4.5180 -4.5180 -4.2815 -4.2815 -3.9276 -3.9276 -3.6206 -3.6206 -3.3507 -3.3507 -3.0929 -3.0929 10.8408 10.8408 11.9968 11.9968 12.0924 12.0924 12.4037 12.4037 12.6051 12.6051 12.7559 12.7559 14.8483 14.8483 15.4814 15.4814 k =-0.2656 0.1069 0.5390 ( 2768 PWs) bands (ev): -22.9692 -22.9692 -22.5295 -22.5295 -22.3052 -22.3052 -21.8340 -21.8340 -6.6249 -6.6249 -6.2937 -6.2937 -5.7644 -5.7644 -5.1232 -5.1232 -4.9779 -4.9779 -4.5927 -4.5927 -4.5106 -4.5106 -4.2722 -4.2722 -3.9282 -3.9282 -3.6393 -3.6393 -3.3535 -3.3535 -3.1276 -3.1276 10.8061 10.8061 12.0499 12.0499 12.1063 12.1063 12.3483 12.3483 12.6091 12.6091 12.7668 12.7668 14.8962 14.8962 15.5441 15.5441 k =-0.2812 0.1132 0.5390 ( 2770 PWs) bands (ev): -22.9569 -22.9569 -22.5294 -22.5294 -22.3245 -22.3245 -21.8285 -21.8285 -6.6348 -6.6348 -6.2655 -6.2655 -5.7722 -5.7722 -5.1215 -5.1215 -4.9763 -4.9763 -4.5740 -4.5740 -4.4979 -4.4979 -4.2634 -4.2634 -3.9284 -3.9284 -3.6582 -3.6582 -3.3565 -3.3565 -3.1629 -3.1629 10.7715 10.7715 12.1009 12.1009 12.1263 12.1263 12.2950 12.2950 12.6136 12.6136 12.7751 12.7751 14.9466 14.9466 15.5788 15.5788 k =-0.2969 0.1194 0.5390 ( 2774 PWs) bands (ev): -22.9442 -22.9442 -22.5294 -22.5294 -22.3438 -22.3438 -21.8234 -21.8234 -6.6447 -6.6447 -6.2366 -6.2366 -5.7798 -5.7798 -5.1198 -5.1198 -4.9762 -4.9762 -4.5601 -4.5601 -4.4791 -4.4791 -4.2551 -4.2551 -3.9282 -3.9282 -3.6773 -3.6773 -3.3598 -3.3598 -3.1985 -3.1985 10.7375 10.7375 12.1347 12.1347 12.1663 12.1663 12.2445 12.2445 12.6184 12.6184 12.7806 12.7806 14.9994 14.9994 15.5775 15.5776 k =-0.3125 0.1257 0.5390 ( 2770 PWs) bands (ev): -22.9312 -22.9312 -22.5293 -22.5293 -22.3629 -22.3629 -21.8188 -21.8188 -6.6543 -6.6543 -6.2073 -6.2073 -5.7870 -5.7870 -5.1183 -5.1183 -4.9777 -4.9777 -4.5503 -4.5503 -4.4549 -4.4549 -4.2474 -4.2474 -3.9276 -3.9276 -3.6964 -3.6964 -3.3633 -3.3633 -3.2341 -3.2341 10.7044 10.7044 12.1577 12.1577 12.1955 12.1955 12.2207 12.2207 12.6234 12.6234 12.7833 12.7833 15.0546 15.0546 15.5747 15.5747 k =-0.3281 0.1320 0.5390 ( 2760 PWs) bands (ev): -22.9179 -22.9179 -22.5293 -22.5293 -22.3818 -22.3818 -21.8145 -21.8145 -6.6636 -6.6636 -6.1780 -6.1780 -5.7938 -5.7938 -5.1168 -5.1168 -4.9805 -4.9805 -4.5432 -4.5432 -4.4272 -4.4272 -4.2404 -4.2404 -3.9264 -3.9264 -3.7153 -3.7153 -3.3675 -3.3675 -3.2690 -3.2690 10.6726 10.6726 12.1494 12.1494 12.1841 12.1841 12.2731 12.2731 12.6284 12.6284 12.7832 12.7832 15.1121 15.1121 15.5743 15.5743 k =-0.3438 0.1383 0.5390 ( 2764 PWs) bands (ev): -22.9045 -22.9045 -22.5292 -22.5292 -22.4004 -22.4004 -21.8106 -21.8106 -6.6724 -6.6724 -6.1492 -6.1492 -5.8002 -5.8002 -5.1155 -5.1155 -4.9844 -4.9844 -4.5375 -4.5375 -4.3978 -4.3978 -4.2341 -4.2341 -3.9246 -3.9246 -3.7339 -3.7339 -3.3732 -3.3732 -3.3020 -3.3020 10.6425 10.6425 12.1085 12.1085 12.2091 12.2091 12.3254 12.3254 12.6333 12.6333 12.7802 12.7802 15.1716 15.1716 15.5774 15.5774 k =-0.3594 0.1446 0.5390 ( 2762 PWs) bands (ev): -22.8912 -22.8912 -22.5292 -22.5292 -22.4186 -22.4186 -21.8071 -21.8071 -6.6805 -6.6805 -6.1212 -6.1212 -5.8061 -5.8061 -5.1143 -5.1143 -4.9893 -4.9893 -4.5326 -4.5326 -4.3677 -4.3677 -4.2285 -4.2285 -3.9221 -3.9221 -3.7519 -3.7519 -3.3828 -3.3828 -3.3305 -3.3305 10.6143 10.6143 12.0705 12.0705 12.2362 12.2362 12.3758 12.3758 12.6380 12.6380 12.7744 12.7744 15.2332 15.2332 15.5845 15.5845 k =-0.3750 0.1509 0.5390 ( 2770 PWs) bands (ev): -22.8780 -22.8780 -22.5292 -22.5292 -22.4360 -22.4360 -21.8040 -21.8040 -6.6880 -6.6880 -6.0944 -6.0944 -5.8113 -5.8113 -5.1133 -5.1133 -4.9948 -4.9948 -4.5283 -4.5283 -4.3377 -4.3377 -4.2237 -4.2237 -3.9189 -3.9189 -3.7692 -3.7692 -3.4009 -3.4009 -3.3494 -3.3494 10.5884 10.5884 12.0360 12.0360 12.2645 12.2645 12.4234 12.4234 12.6422 12.6422 12.7660 12.7660 15.2965 15.2965 15.5964 15.5964 k =-0.3906 0.1572 0.5390 ( 2774 PWs) bands (ev): -22.8651 -22.8651 -22.5291 -22.5291 -22.4527 -22.4527 -21.8012 -21.8012 -6.6948 -6.6948 -6.0694 -6.0694 -5.8160 -5.8160 -5.1126 -5.1126 -5.0007 -5.0007 -4.5244 -4.5244 -4.3085 -4.3085 -4.2196 -4.2196 -3.9150 -3.9150 -3.7855 -3.7855 -3.4269 -3.4269 -3.3590 -3.3590 10.5650 10.5650 12.0052 12.0052 12.2937 12.2937 12.4674 12.4674 12.6456 12.6456 12.7555 12.7555 15.3613 15.3613 15.6131 15.6131 k =-0.4062 0.1634 0.5390 ( 2772 PWs) bands (ev): -22.8528 -22.8528 -22.5291 -22.5291 -22.4683 -22.4683 -21.7989 -21.7989 -6.7007 -6.7007 -6.0465 -6.0465 -5.8200 -5.8200 -5.1120 -5.1120 -5.0067 -5.0067 -4.5210 -4.5210 -4.2809 -4.2809 -4.2160 -4.2160 -3.9107 -3.9107 -3.8005 -3.8005 -3.4553 -3.4553 -3.3641 -3.3641 10.5443 10.5443 11.9783 11.9783 12.3232 12.3232 12.5071 12.5071 12.6481 12.6481 12.7432 12.7432 15.4271 15.4271 15.6348 15.6348 k =-0.4219 0.1697 0.5390 ( 2776 PWs) bands (ev): -22.8414 -22.8414 -22.5291 -22.5291 -22.4825 -22.4825 -21.7969 -21.7969 -6.7058 -6.7058 -6.0262 -6.0262 -5.8234 -5.8234 -5.1116 -5.1116 -5.0124 -5.0124 -4.5179 -4.5179 -4.2558 -4.2558 -4.2127 -4.2127 -3.9063 -3.9063 -3.8137 -3.8137 -3.4830 -3.4830 -3.3673 -3.3673 10.5265 10.5265 11.9554 11.9554 12.3525 12.3525 12.5417 12.5417 12.6493 12.6493 12.7302 12.7302 15.4934 15.4934 15.6610 15.6610 k =-0.4375 0.1760 0.5390 ( 2778 PWs) bands (ev): -22.8312 -22.8312 -22.5290 -22.5290 -22.4949 -22.4949 -21.7952 -21.7952 -6.7100 -6.7100 -6.0090 -6.0090 -5.8260 -5.8260 -5.1114 -5.1114 -5.0176 -5.0176 -4.5154 -4.5154 -4.2349 -4.2349 -4.2088 -4.2088 -3.9022 -3.9022 -3.8247 -3.8247 -3.5081 -3.5081 -3.3696 -3.3696 10.5117 10.5117 11.9365 11.9365 12.3808 12.3808 12.5698 12.5698 12.6494 12.6494 12.7173 12.7173 15.5590 15.5590 15.6908 15.6908 k =-0.4531 0.1823 0.5390 ( 2778 PWs) bands (ev): -22.8227 -22.8227 -22.5290 -22.5290 -22.5053 -22.5053 -21.7940 -21.7940 -6.7133 -6.7133 -5.9951 -5.9951 -5.8280 -5.8280 -5.1113 -5.1113 -5.0219 -5.0219 -4.5134 -4.5134 -4.2214 -4.2214 -4.2016 -4.2016 -3.8991 -3.8991 -3.8330 -3.8330 -3.5295 -3.5295 -3.3712 -3.3712 10.5001 10.5001 11.9218 11.9218 12.4069 12.4069 12.5894 12.5894 12.6498 12.6498 12.7059 12.7059 15.6217 15.6217 15.7221 15.7221 k =-0.4688 0.1886 0.5390 ( 2778 PWs) bands (ev): -22.8162 -22.8162 -22.5290 -22.5290 -22.5131 -22.5131 -21.7931 -21.7931 -6.7157 -6.7157 -5.9851 -5.9851 -5.8293 -5.8293 -5.1114 -5.1114 -5.0251 -5.0251 -4.5119 -4.5119 -4.2160 -4.2160 -4.1914 -4.1914 -3.8972 -3.8972 -3.8382 -3.8382 -3.5460 -3.5460 -3.3722 -3.3722 10.4917 10.4917 11.9112 11.9112 12.4291 12.4291 12.5983 12.5983 12.6534 12.6534 12.6965 12.6965 15.6774 15.6774 15.7518 15.7518 k =-0.4844 0.1949 0.5390 ( 2782 PWs) bands (ev): -22.8121 -22.8121 -22.5290 -22.5290 -22.5179 -22.5179 -21.7925 -21.7925 -6.7171 -6.7171 -5.9789 -5.9789 -5.8301 -5.8301 -5.1114 -5.1114 -5.0272 -5.0272 -4.5110 -4.5110 -4.2142 -4.2142 -4.1835 -4.1835 -3.8965 -3.8965 -3.8409 -3.8409 -3.5564 -3.5564 -3.3729 -3.3729 10.4867 10.4867 11.9048 11.9048 12.4447 12.4447 12.5987 12.5987 12.6599 12.6599 12.6893 12.6893 15.7176 15.7176 15.7747 15.7747 k =-0.5000 0.2012 0.5390 ( 2780 PWs) bands (ev): -22.8107 -22.8107 -22.5290 -22.5290 -22.5196 -22.5196 -21.7924 -21.7924 -6.7176 -6.7176 -5.9769 -5.9769 -5.8304 -5.8304 -5.1114 -5.1114 -5.0278 -5.0278 -4.5107 -4.5107 -4.2137 -4.2137 -4.1806 -4.1806 -3.8964 -3.8964 -3.8416 -3.8416 -3.5600 -3.5600 -3.3731 -3.3731 10.4850 10.4850 11.9027 11.9027 12.4504 12.4504 12.5977 12.5977 12.6636 12.6636 12.6860 12.6860 15.7322 15.7322 15.7824 15.7824 k =-0.5000 0.2012 0.5390 ( 2780 PWs) bands (ev): -22.8107 -22.8107 -22.5290 -22.5290 -22.5196 -22.5196 -21.7924 -21.7924 -6.7176 -6.7176 -5.9769 -5.9769 -5.8304 -5.8304 -5.1114 -5.1114 -5.0278 -5.0278 -4.5107 -4.5107 -4.2137 -4.2137 -4.1806 -4.1806 -3.8964 -3.8964 -3.8416 -3.8416 -3.5600 -3.5600 -3.3731 -3.3731 10.4850 10.4850 11.9027 11.9027 12.4504 12.4504 12.5977 12.5977 12.6636 12.6636 12.6860 12.6860 15.7322 15.7322 15.7824 15.7824 k =-0.4891 0.1968 0.5272 ( 2784 PWs) bands (ev): -22.8121 -22.8121 -22.5282 -22.5282 -22.5187 -22.5187 -21.7925 -21.7925 -6.7172 -6.7172 -5.9789 -5.9789 -5.8301 -5.8301 -5.1114 -5.1114 -5.0272 -5.0272 -4.5110 -4.5110 -4.2143 -4.2143 -4.1832 -4.1832 -3.8966 -3.8966 -3.8408 -3.8408 -3.5566 -3.5566 -3.3729 -3.3729 10.4866 10.4866 11.9048 11.9048 12.4446 12.4446 12.5993 12.5993 12.6597 12.6597 12.6890 12.6890 15.7178 15.7178 15.7719 15.7719 k =-0.4783 0.1924 0.5155 ( 2780 PWs) bands (ev): -22.8161 -22.8161 -22.5263 -22.5263 -22.5159 -22.5159 -21.7931 -21.7931 -6.7158 -6.7158 -5.9848 -5.9848 -5.8293 -5.8293 -5.1114 -5.1114 -5.0252 -5.0252 -4.5118 -4.5118 -4.2163 -4.2163 -4.1906 -4.1906 -3.8985 -3.8985 -3.8369 -3.8369 -3.5467 -3.5467 -3.3723 -3.3723 10.4916 10.4916 11.9109 11.9109 12.4276 12.4276 12.6041 12.6041 12.6519 12.6519 12.6943 12.6943 15.6771 15.6771 15.7364 15.7364 k =-0.4674 0.1880 0.5038 ( 2780 PWs) bands (ev): -22.8226 -22.8226 -22.5240 -22.5240 -22.5104 -22.5104 -21.7939 -21.7939 -6.7135 -6.7135 -5.9946 -5.9946 -5.8281 -5.8281 -5.1118 -5.1118 -5.0216 -5.0216 -4.5133 -4.5133 -4.2202 -4.2202 -4.2013 -4.2013 -3.9044 -3.9044 -3.8276 -3.8276 -3.5312 -3.5312 -3.3713 -3.3713 10.4997 10.4997 11.9212 11.9212 12.4002 12.4002 12.6117 12.6117 12.6429 12.6429 12.6989 12.6989 15.6193 15.6193 15.6870 15.6870 k =-0.4565 0.1837 0.4921 ( 2774 PWs) bands (ev): -22.8313 -22.8313 -22.5218 -22.5218 -22.5023 -22.5023 -21.7952 -21.7952 -6.7102 -6.7102 -6.0079 -6.0079 -5.8263 -5.8263 -5.1130 -5.1130 -5.0166 -5.0166 -4.5153 -4.5153 -4.2292 -4.2292 -4.2112 -4.2112 -3.9145 -3.9145 -3.8125 -3.8125 -3.5113 -3.5113 -3.3697 -3.3697 10.5111 10.5111 11.9356 11.9356 12.3640 12.3640 12.6204 12.6204 12.6334 12.6334 12.7028 12.7028 15.5521 15.5521 15.6303 15.6303 k =-0.4457 0.1793 0.4804 ( 2772 PWs) bands (ev): -22.8417 -22.8417 -22.5194 -22.5194 -22.4921 -22.4921 -21.7967 -21.7967 -6.7061 -6.7061 -6.0243 -6.0243 -5.8241 -5.8241 -5.1153 -5.1153 -5.0100 -5.0100 -4.5178 -4.5178 -4.2453 -4.2453 -4.2170 -4.2170 -3.9278 -3.9278 -3.7928 -3.7928 -3.4882 -3.4882 -3.3676 -3.3676 10.5257 10.5257 11.9540 11.9540 12.3207 12.3207 12.6150 12.6150 12.6360 12.6360 12.7080 12.7080 15.4796 15.4796 15.5706 15.5706 k =-0.4348 0.1749 0.4687 ( 2780 PWs) bands (ev): -22.8535 -22.8535 -22.5167 -22.5167 -22.4802 -22.4802 -21.7986 -21.7986 -6.7011 -6.7011 -6.0435 -6.0435 -5.8215 -5.8215 -5.1188 -5.1188 -5.0022 -5.0022 -4.5208 -4.5208 -4.2657 -4.2657 -4.2206 -4.2206 -3.9429 -3.9429 -3.7696 -3.7696 -3.4629 -3.4629 -3.3647 -3.3647 10.5434 10.5434 11.9764 11.9764 12.2717 12.2717 12.5952 12.5952 12.6476 12.6476 12.7169 12.7169 15.4038 15.4038 15.5105 15.5105 k =-0.4239 0.1706 0.4569 ( 2770 PWs) bands (ev): -22.8664 -22.8664 -22.5137 -22.5137 -22.4672 -22.4672 -21.8009 -21.8009 -6.6953 -6.6953 -6.0651 -6.0651 -5.8185 -5.8185 -5.1237 -5.1237 -4.9936 -4.9936 -4.5244 -4.5244 -4.2885 -4.2885 -4.2232 -4.2232 -3.9591 -3.9591 -3.7440 -3.7440 -3.4366 -3.4366 -3.3604 -3.3604 10.5641 10.5641 12.0029 12.0029 12.2185 12.2185 12.5679 12.5679 12.6588 12.6588 12.7318 12.7318 15.3261 15.3261 15.4517 15.4517 k =-0.4130 0.1662 0.4452 ( 2778 PWs) bands (ev): -22.8802 -22.8802 -22.5103 -22.5103 -22.4532 -22.4532 -21.8035 -21.8035 -6.6887 -6.6887 -6.0886 -6.0886 -5.8151 -5.8151 -5.1297 -5.1297 -4.9848 -4.9848 -4.5285 -4.5285 -4.3127 -4.3127 -4.2249 -4.2249 -3.9759 -3.9759 -3.7166 -3.7166 -3.4111 -3.4111 -3.3535 -3.3535 10.5878 10.5878 12.0334 12.0334 12.1623 12.1623 12.5330 12.5330 12.6689 12.6689 12.7533 12.7533 15.2471 15.2471 15.3952 15.3952 k =-0.4022 0.1618 0.4335 ( 2774 PWs) bands (ev): -22.8946 -22.8946 -22.5065 -22.5065 -22.4385 -22.4385 -21.8065 -21.8065 -6.6813 -6.6813 -6.1136 -6.1136 -5.8114 -5.8114 -5.1369 -5.1369 -4.9761 -4.9761 -4.5333 -4.5333 -4.3377 -4.3377 -4.2256 -4.2256 -3.9928 -3.9928 -3.6879 -3.6879 -3.3897 -3.3897 -3.3410 -3.3410 10.6144 10.6144 12.0678 12.0678 12.1040 12.1040 12.4909 12.4909 12.6782 12.6782 12.7808 12.7808 15.1674 15.1674 15.3418 15.3418 k =-0.3913 0.1574 0.4218 ( 2772 PWs) bands (ev): -22.9095 -22.9095 -22.5022 -22.5022 -22.4233 -22.4233 -21.8098 -21.8098 -6.6732 -6.6732 -6.1399 -6.1399 -5.8075 -5.8075 -5.1449 -5.1449 -4.9681 -4.9681 -4.5390 -4.5390 -4.3632 -4.3632 -4.2252 -4.2252 -4.0096 -4.0096 -3.6582 -3.6582 -3.3755 -3.3755 -3.3201 -3.3201 10.6438 10.6438 12.0445 12.0445 12.1061 12.1061 12.4421 12.4421 12.6873 12.6873 12.8135 12.8135 15.0872 15.0872 15.2921 15.2921 k =-0.3804 0.1531 0.4101 ( 2779 PWs) bands (ev): -22.9246 -22.9246 -22.4976 -22.4976 -22.4078 -22.4078 -21.8134 -21.8134 -6.6644 -6.6644 -6.1669 -6.1669 -5.8035 -5.8035 -5.1536 -5.1536 -4.9612 -4.9612 -4.5458 -4.5458 -4.3886 -4.3886 -4.2239 -4.2239 -4.0258 -4.0258 -3.6279 -3.6279 -3.3666 -3.3666 -3.2928 -3.2928 10.6758 10.6758 11.9845 11.9845 12.1483 12.1483 12.3871 12.3871 12.6966 12.6966 12.8507 12.8507 15.0070 15.0070 15.2462 15.2462 k =-0.3696 0.1487 0.3984 ( 2779 PWs) bands (ev): -22.9400 -22.9400 -22.4926 -22.4926 -22.3920 -22.3920 -21.8173 -21.8173 -6.6552 -6.6552 -6.1943 -6.1943 -5.7993 -5.7993 -5.1629 -5.1629 -4.9555 -4.9555 -4.5542 -4.5542 -4.4133 -4.4133 -4.2219 -4.2219 -4.0410 -4.0410 -3.5972 -3.5972 -3.3598 -3.3598 -3.2626 -3.2626 10.7103 10.7103 11.9244 11.9244 12.1943 12.1943 12.3267 12.3267 12.7063 12.7063 12.8920 12.8920 14.9270 14.9270 15.2044 15.2044 k =-0.3587 0.1443 0.3866 ( 2775 PWs) bands (ev): -22.9555 -22.9555 -22.4872 -22.4872 -22.3761 -22.3761 -21.8216 -21.8216 -6.6456 -6.6456 -6.2218 -6.2218 -5.7952 -5.7952 -5.1726 -5.1726 -4.9512 -4.9512 -4.5647 -4.5647 -4.4368 -4.4368 -4.2201 -4.2201 -4.0544 -4.0544 -3.5664 -3.5664 -3.3535 -3.3535 -3.2310 -3.2310 10.7471 10.7471 11.8647 11.8647 12.2427 12.2427 12.2629 12.2629 12.7166 12.7166 12.9371 12.9371 14.8475 14.8475 15.1670 15.1670 k =-0.3478 0.1399 0.3749 ( 2773 PWs) bands (ev): -22.9709 -22.9709 -22.4814 -22.4814 -22.3601 -22.3601 -21.8262 -21.8262 -6.6358 -6.6358 -6.2489 -6.2489 -5.7912 -5.7912 -5.1825 -5.1825 -4.9485 -4.9485 -4.5778 -4.5778 -4.4583 -4.4583 -4.2195 -4.2195 -4.0648 -4.0648 -3.5360 -3.5360 -3.3469 -3.3469 -3.1988 -3.1988 10.7860 10.7860 11.8057 11.8057 12.1920 12.1920 12.2981 12.2981 12.7276 12.7276 12.9858 12.9858 14.7685 14.7685 15.1339 15.1339 k =-0.3370 0.1356 0.3632 ( 2777 PWs) bands (ev): -22.9863 -22.9863 -22.4752 -22.4752 -22.3442 -22.3442 -21.8312 -21.8312 -6.6260 -6.6260 -6.2753 -6.2753 -5.7873 -5.7873 -5.1924 -5.1924 -4.9472 -4.9472 -4.5939 -4.5939 -4.4775 -4.4775 -4.2219 -4.2219 -4.0708 -4.0708 -3.5063 -3.5063 -3.3394 -3.3394 -3.1663 -3.1663 10.8269 10.8269 11.7474 11.7474 12.1201 12.1201 12.3551 12.3551 12.7393 12.7393 13.0379 13.0379 14.6904 14.6904 15.1051 15.1051 k =-0.3261 0.1312 0.3515 ( 2783 PWs) bands (ev): -23.0016 -23.0016 -22.4686 -22.4686 -22.3284 -22.3284 -21.8364 -21.8364 -6.6167 -6.6167 -6.3005 -6.3005 -5.7838 -5.7838 -5.2021 -5.2021 -4.9472 -4.9472 -4.6130 -4.6130 -4.4942 -4.4942 -4.2285 -4.2285 -4.0711 -4.0711 -3.4780 -3.4780 -3.3306 -3.3306 -3.1338 -3.1338 10.8695 10.8695 11.6898 11.6898 12.0462 12.0462 12.4158 12.4158 12.7519 12.7519 13.0933 13.0933 14.6134 14.6134 15.0806 15.0806 k =-0.3152 0.1268 0.3398 ( 2783 PWs) bands (ev): -23.0167 -23.0167 -22.4617 -22.4617 -22.3128 -22.3128 -21.8420 -21.8420 -6.6083 -6.6083 -6.3238 -6.3238 -5.7807 -5.7807 -5.2116 -5.2116 -4.9485 -4.9485 -4.6347 -4.6347 -4.5086 -4.5086 -4.2398 -4.2398 -4.0655 -4.0655 -3.4516 -3.4516 -3.3197 -3.3197 -3.1014 -3.1014 10.9136 10.9136 11.6326 11.6326 11.9716 11.9716 12.4801 12.4801 12.7655 12.7655 13.1518 13.1518 14.5375 14.5375 15.0602 15.0602 k =-0.3043 0.1224 0.3281 ( 2785 PWs) bands (ev): -23.0316 -23.0316 -22.4545 -22.4545 -22.2973 -22.2973 -21.8479 -21.8479 -6.6015 -6.6015 -6.3444 -6.3444 -5.7781 -5.7781 -5.2205 -5.2205 -4.9508 -4.9508 -4.6584 -4.6584 -4.5213 -4.5213 -4.2555 -4.2555 -4.0548 -4.0548 -3.4282 -3.4282 -3.3060 -3.3060 -3.0692 -3.0692 10.9589 10.9589 11.5752 11.5752 11.8977 11.8977 12.5478 12.5478 12.7803 12.7803 13.2132 13.2132 14.4629 14.4629 15.0438 15.0438 k =-0.2935 0.1181 0.3163 ( 2781 PWs) bands (ev): -23.0463 -23.0463 -22.4469 -22.4469 -22.2821 -22.2821 -21.8541 -21.8541 -6.5973 -6.5973 -6.3613 -6.3613 -5.7760 -5.7760 -5.2289 -5.2289 -4.9539 -4.9539 -4.6835 -4.6835 -4.5328 -4.5328 -4.2745 -4.2745 -4.0401 -4.0401 -3.4085 -3.4085 -3.2888 -3.2888 -3.0374 -3.0374 11.0051 11.0051 11.5166 11.5166 11.8264 11.8264 12.6188 12.6188 12.7964 12.7964 13.2773 13.2773 14.3898 14.3898 15.0310 15.0310 k =-0.2826 0.1137 0.3046 ( 2777 PWs) bands (ev): -23.0606 -23.0606 -22.4390 -22.4390 -22.2671 -22.2671 -21.8605 -21.8605 -6.5966 -6.5966 -6.3735 -6.3735 -5.7747 -5.7747 -5.2365 -5.2365 -4.9577 -4.9577 -4.7092 -4.7092 -4.5436 -4.5436 -4.2961 -4.2961 -4.0225 -4.0225 -3.3926 -3.3926 -3.2681 -3.2681 -3.0059 -3.0059 11.0519 11.0519 11.4558 11.4558 11.7593 11.7593 12.6931 12.6931 12.8141 12.8141 13.3440 13.3440 14.3184 14.3184 15.0216 15.0216 k =-0.2717 0.1093 0.2929 ( 2775 PWs) bands (ev): -23.0746 -23.0746 -22.4308 -22.4308 -22.2525 -22.2525 -21.8673 -21.8673 -6.6002 -6.6002 -6.3802 -6.3802 -5.7742 -5.7742 -5.2433 -5.2433 -4.9620 -4.9620 -4.7354 -4.7354 -4.5539 -4.5539 -4.3196 -4.3196 -4.0029 -4.0029 -3.3801 -3.3801 -3.2443 -3.2443 -2.9750 -2.9750 11.0990 11.0990 11.3917 11.3917 11.6985 11.6985 12.7701 12.7701 12.8339 12.8339 13.4129 13.4129 14.2488 14.2488 15.0144 15.0144 k =-0.2609 0.1050 0.2812 ( 2771 PWs) bands (ev): -23.0883 -23.0883 -22.4223 -22.4223 -22.2383 -22.2383 -21.8743 -21.8743 -6.6083 -6.6083 -6.3811 -6.3811 -5.7745 -5.7745 -5.2491 -5.2491 -4.9665 -4.9665 -4.7615 -4.7615 -4.5640 -4.5640 -4.3445 -4.3445 -3.9819 -3.9819 -3.3703 -3.3703 -3.2184 -3.2184 -2.9446 -2.9446 11.1460 11.1460 11.3236 11.3236 11.6451 11.6451 12.8440 12.8440 12.8620 12.8620 13.4838 13.4838 14.1810 14.1810 15.0009 15.0009 k =-0.2500 0.1006 0.2695 ( 2761 PWs) bands (ev): -23.1016 -23.1016 -22.4135 -22.4135 -22.2244 -22.2244 -21.8816 -21.8816 -6.6204 -6.6204 -6.3767 -6.3767 -5.7757 -5.7757 -5.2539 -5.2539 -4.9712 -4.9712 -4.7874 -4.7874 -4.5740 -4.5740 -4.3705 -4.3705 -3.9600 -3.9600 -3.3624 -3.3624 -3.1912 -3.1912 -2.9147 -2.9147 11.1919 11.1919 11.2523 11.2523 11.5997 11.5997 12.8759 12.8759 12.9373 12.9373 13.5562 13.5562 14.1152 14.1152 14.9300 14.9300 k =-0.2391 0.0962 0.2578 ( 2761 PWs) bands (ev): -23.1144 -23.1144 -22.4045 -22.4045 -22.2109 -22.2109 -21.8892 -21.8892 -6.6354 -6.6354 -6.3679 -6.3679 -5.7777 -5.7777 -5.2577 -5.2577 -4.9759 -4.9759 -4.8129 -4.8129 -4.5839 -4.5839 -4.3975 -4.3975 -3.9376 -3.9376 -3.3558 -3.3558 -3.1634 -3.1634 -2.8855 -2.8855 11.1745 11.1745 11.2401 11.2401 11.5622 11.5622 12.9025 12.9025 13.0234 13.0234 13.6296 13.6296 14.0517 14.0517 14.8415 14.8415 k =-0.2283 0.0918 0.2460 ( 2769 PWs) bands (ev): -23.1269 -23.1269 -22.3952 -22.3952 -22.1978 -22.1978 -21.8970 -21.8970 -6.6526 -6.6526 -6.3558 -6.3558 -5.7807 -5.7807 -5.2604 -5.2604 -4.9805 -4.9805 -4.8379 -4.8379 -4.5939 -4.5939 -4.4250 -4.4250 -3.9150 -3.9150 -3.3503 -3.3503 -3.1354 -3.1354 -2.8571 -2.8571 11.0976 11.0976 11.2842 11.2842 11.5321 11.5321 12.9313 12.9313 13.1128 13.1128 13.7029 13.7029 13.9903 13.9903 14.7517 14.7517 k =-0.2174 0.0875 0.2343 ( 2761 PWs) bands (ev): -23.1389 -23.1389 -22.3857 -22.3857 -22.1852 -22.1852 -21.9050 -21.9050 -6.6709 -6.6709 -6.3411 -6.3411 -5.7846 -5.7846 -5.2621 -5.2621 -4.9849 -4.9849 -4.8621 -4.8621 -4.6041 -4.6041 -4.4530 -4.4530 -3.8925 -3.8925 -3.3454 -3.3454 -3.1077 -3.1077 -2.8294 -2.8294 11.0191 11.0191 11.3273 11.3273 11.5086 11.5086 12.9629 12.9629 13.2049 13.2049 13.7747 13.7747 13.9315 13.9315 14.6630 14.6630 k =-0.2065 0.0831 0.2226 ( 2763 PWs) bands (ev): -23.1504 -23.1504 -22.3760 -22.3760 -22.1731 -22.1731 -21.9133 -21.9133 -6.6898 -6.6898 -6.3246 -6.3246 -5.7893 -5.7893 -5.2628 -5.2628 -4.9889 -4.9889 -4.8854 -4.8854 -4.6146 -4.6146 -4.4811 -4.4811 -3.8702 -3.8702 -3.3412 -3.3412 -3.0803 -3.0803 -2.8025 -2.8025 10.9403 10.9403 11.3686 11.3686 11.4914 11.4914 12.9974 12.9974 13.2995 13.2995 13.8417 13.8417 13.8760 13.8760 14.5782 14.5782 k =-0.1957 0.0787 0.2109 ( 2763 PWs) bands (ev): -23.1614 -23.1614 -22.3662 -22.3662 -22.1615 -22.1615 -21.9217 -21.9217 -6.7088 -6.7088 -6.3066 -6.3066 -5.7948 -5.7948 -5.2626 -5.2626 -4.9926 -4.9926 -4.9078 -4.9078 -4.6255 -4.6255 -4.5091 -4.5091 -3.8483 -3.8483 -3.3375 -3.3375 -3.0537 -3.0537 -2.7765 -2.7765 10.8623 10.8623 11.4075 11.4075 11.4802 11.4802 13.0350 13.0350 13.3963 13.3963 13.8207 13.8207 13.9028 13.9028 14.5024 14.5024 k =-0.1848 0.0743 0.1992 ( 2763 PWs) bands (ev): -23.1719 -23.1719 -22.3562 -22.3562 -22.1504 -22.1504 -21.9304 -21.9304 -6.7276 -6.7276 -6.2877 -6.2877 -5.8010 -5.8010 -5.2615 -5.2615 -4.9959 -4.9959 -4.9290 -4.9290 -4.6372 -4.6372 -4.5366 -4.5366 -3.8271 -3.8271 -3.3342 -3.3342 -3.0278 -3.0278 -2.7515 -2.7515 10.7858 10.7858 11.4421 11.4421 11.4761 11.4761 13.0756 13.0756 13.4946 13.4946 13.7708 13.7708 13.9447 13.9447 14.4443 14.4443 k =-0.1739 0.0700 0.1875 ( 2765 PWs) bands (ev): -23.1819 -23.1819 -22.3460 -22.3460 -22.1399 -22.1399 -21.9392 -21.9392 -6.7459 -6.7459 -6.2679 -6.2679 -5.8078 -5.8078 -5.2598 -5.2598 -4.9990 -4.9990 -4.9488 -4.9488 -4.6500 -4.6500 -4.5630 -4.5630 -3.8065 -3.8065 -3.3313 -3.3313 -3.0029 -3.0029 -2.7274 -2.7274 10.7113 10.7113 11.4618 11.4618 11.4893 11.4893 13.1191 13.1191 13.5909 13.5909 13.7271 13.7271 13.9570 13.9570 14.4169 14.4169 k =-0.1630 0.0656 0.1757 ( 2765 PWs) bands (ev): -23.1914 -23.1914 -22.3358 -22.3358 -22.1299 -22.1299 -21.9481 -21.9481 -6.7635 -6.7635 -6.2477 -6.2477 -5.8152 -5.8152 -5.2574 -5.2574 -5.0022 -5.0022 -4.9666 -4.9666 -4.6647 -4.6647 -4.5874 -4.5874 -3.7867 -3.7867 -3.3288 -3.3288 -2.9790 -2.9790 -2.7044 -2.7044 10.6395 10.6395 11.4680 11.4680 11.5180 11.5180 13.1654 13.1654 13.6473 13.6473 13.7271 13.7271 13.9331 13.9331 14.4279 14.4279 k =-0.1522 0.0612 0.1640 ( 2761 PWs) bands (ev): -23.2003 -23.2003 -22.3255 -22.3255 -22.1205 -22.1205 -21.9571 -21.9571 -6.7804 -6.7804 -6.2271 -6.2271 -5.8230 -5.8230 -5.2545 -5.2545 -5.0067 -5.0067 -4.9812 -4.9812 -4.6822 -4.6822 -4.6089 -4.6089 -3.7678 -3.7678 -3.3265 -3.3265 -2.9563 -2.9563 -2.6824 -2.6824 10.5706 10.5706 11.4753 11.4753 11.5470 11.5470 13.2141 13.2141 13.6194 13.6194 13.8056 13.8056 13.8893 13.8893 14.4699 14.4699 k =-0.1413 0.0569 0.1523 ( 2765 PWs) bands (ev): -23.2087 -23.2087 -22.3152 -22.3152 -22.1116 -22.1116 -21.9663 -21.9663 -6.7963 -6.7963 -6.2064 -6.2064 -5.8313 -5.8313 -5.2512 -5.2512 -5.0147 -5.0147 -4.9903 -4.9903 -4.7027 -4.7027 -4.6269 -4.6269 -3.7498 -3.7498 -3.3246 -3.3246 -2.9348 -2.9348 -2.6617 -2.6617 10.5051 10.5051 11.4859 11.4859 11.5740 11.5740 13.2647 13.2647 13.5813 13.5813 13.7887 13.7887 13.9385 13.9385 14.5301 14.5301 k =-0.1304 0.0525 0.1406 ( 2761 PWs) bands (ev): -23.2164 -23.2164 -22.3049 -22.3049 -22.1034 -22.1034 -21.9754 -21.9754 -6.8114 -6.8114 -6.1856 -6.1856 -5.8399 -5.8399 -5.2477 -5.2477 -5.0258 -5.0258 -4.9940 -4.9940 -4.7261 -4.7261 -4.6416 -4.6416 -3.7329 -3.7329 -3.3230 -3.3230 -2.9146 -2.9146 -2.6422 -2.6422 10.4433 10.4433 11.4999 11.4999 11.5987 11.5987 13.3167 13.3167 13.5442 13.5442 13.7116 13.7116 14.0435 14.0435 14.5993 14.5993 k =-0.1196 0.0481 0.1289 ( 2749 PWs) bands (ev): -23.2236 -23.2236 -22.2947 -22.2947 -22.0958 -22.0958 -21.9846 -21.9846 -6.8253 -6.8253 -6.1649 -6.1649 -5.8488 -5.8488 -5.2440 -5.2440 -5.0373 -5.0373 -4.9950 -4.9950 -4.7513 -4.7513 -4.6538 -4.6538 -3.7171 -3.7171 -3.3216 -3.3216 -2.8958 -2.8958 -2.6239 -2.6239 10.3854 10.3854 11.5169 11.5169 11.6210 11.6210 13.3694 13.3694 13.5095 13.5095 13.6279 13.6279 14.1541 14.1541 14.6723 14.6723 k =-0.1087 0.0437 0.1172 ( 2747 PWs) bands (ev): -23.2302 -23.2302 -22.2846 -22.2846 -22.0888 -22.0888 -21.9937 -21.9937 -6.8382 -6.8382 -6.1445 -6.1445 -5.8579 -5.8579 -5.2404 -5.2404 -5.0475 -5.0475 -4.9948 -4.9948 -4.7776 -4.7776 -4.6641 -4.6641 -3.7024 -3.7024 -3.3205 -3.3205 -2.8785 -2.8785 -2.6070 -2.6070 10.3318 10.3318 11.5365 11.5365 11.6410 11.6410 13.4220 13.4220 13.4776 13.4776 13.5435 13.5435 14.2672 14.2672 14.7461 14.7461 k =-0.0978 0.0394 0.1054 ( 2743 PWs) bands (ev): -23.2362 -23.2362 -22.2748 -22.2748 -22.0825 -22.0825 -22.0026 -22.0026 -6.8500 -6.8500 -6.1245 -6.1245 -5.8673 -5.8673 -5.2370 -5.2370 -5.0558 -5.0558 -4.9939 -4.9939 -4.8041 -4.8041 -4.6731 -4.6731 -3.6889 -3.6889 -3.3196 -3.3196 -2.8627 -2.8627 -2.5915 -2.5915 10.2827 10.2827 11.5583 11.5583 11.6587 11.6587 13.4481 13.4481 13.4573 13.4573 13.4775 13.4775 14.3818 14.3818 14.8185 14.8185 k =-0.0870 0.0350 0.0937 ( 2739 PWs) bands (ev): -23.2416 -23.2416 -22.2652 -22.2652 -22.0768 -22.0768 -22.0113 -22.0113 -6.8606 -6.8606 -6.1049 -6.1049 -5.8769 -5.8769 -5.2340 -5.2340 -5.0618 -5.0618 -4.9925 -4.9925 -4.8305 -4.8305 -4.6811 -4.6811 -3.6767 -3.6767 -3.3189 -3.3189 -2.8484 -2.8484 -2.5775 -2.5775 10.2382 10.2382 11.5817 11.5817 11.6744 11.6744 13.3801 13.3801 13.4221 13.4221 13.5250 13.5250 14.4974 14.4974 14.8881 14.8881 k =-0.0761 0.0306 0.0820 ( 2739 PWs) bands (ev): -23.2464 -23.2464 -22.2560 -22.2560 -22.0718 -22.0718 -22.0196 -22.0196 -6.8700 -6.8700 -6.0859 -6.0859 -5.8868 -5.8868 -5.2315 -5.2315 -5.0652 -5.0652 -4.9908 -4.9908 -4.8565 -4.8565 -4.6881 -4.6881 -3.6658 -3.6658 -3.3184 -3.3184 -2.8357 -2.8357 -2.5650 -2.5650 10.1986 10.1986 11.6059 11.6059 11.6881 11.6881 13.3051 13.3051 13.3989 13.3989 13.5722 13.5722 14.6135 14.6135 14.9534 14.9534 k =-0.0652 0.0262 0.0703 ( 2739 PWs) bands (ev): -23.2505 -23.2505 -22.2474 -22.2474 -22.0675 -22.0675 -22.0275 -22.0275 -6.8782 -6.8782 -6.0676 -6.0676 -5.8969 -5.8969 -5.2297 -5.2297 -5.0658 -5.0658 -4.9890 -4.9890 -4.8817 -4.8817 -4.6942 -4.6942 -3.6563 -3.6563 -3.3180 -3.3180 -2.8246 -2.8246 -2.5540 -2.5540 10.1639 10.1639 11.6299 11.6299 11.7001 11.7001 13.2360 13.2360 13.3786 13.3786 13.6158 13.6158 14.7291 14.7291 15.0132 15.0132 k =-0.0543 0.0219 0.0586 ( 2745 PWs) bands (ev): -23.2541 -23.2541 -22.2396 -22.2396 -22.0639 -22.0639 -22.0347 -22.0347 -6.8852 -6.8852 -6.0501 -6.0501 -5.9072 -5.9072 -5.2285 -5.2285 -5.0634 -5.0634 -4.9873 -4.9873 -4.9060 -4.9060 -4.6994 -4.6994 -3.6481 -3.6481 -3.3177 -3.3177 -2.8152 -2.8152 -2.5447 -2.5447 10.1344 10.1344 11.6526 11.6526 11.7107 11.7107 13.1740 13.1740 13.3615 13.3615 13.6548 13.6548 14.8426 14.8426 15.0667 15.0667 k =-0.0435 0.0175 0.0469 ( 2749 PWs) bands (ev): -23.2569 -23.2569 -22.2326 -22.2326 -22.0612 -22.0612 -22.0408 -22.0408 -6.8909 -6.8909 -6.0335 -6.0335 -5.9178 -5.9178 -5.2278 -5.2278 -5.0582 -5.0582 -4.9856 -4.9856 -4.9292 -4.9292 -4.7038 -4.7038 -3.6414 -3.6414 -3.3175 -3.3175 -2.8075 -2.8075 -2.5369 -2.5369 10.1100 10.1100 11.6726 11.6726 11.7201 11.7201 13.1207 13.1207 13.3474 13.3474 13.6881 13.6881 14.9503 14.9503 15.1150 15.1150 k =-0.0326 0.0131 0.0351 ( 2741 PWs) bands (ev): -23.2592 -23.2592 -22.2268 -22.2268 -22.0594 -22.0594 -22.0457 -22.0457 -6.8953 -6.8953 -6.0179 -6.0179 -5.9285 -5.9285 -5.2276 -5.2276 -5.0504 -5.0504 -4.9842 -4.9842 -4.9508 -4.9508 -4.7072 -4.7072 -3.6361 -3.6361 -3.3174 -3.3174 -2.8014 -2.8014 -2.5309 -2.5309 10.0910 10.0910 11.6886 11.6886 11.7288 11.7288 13.0772 13.0772 13.3365 13.3365 13.7150 13.7150 15.0419 15.0419 15.1651 15.1651 k =-0.0217 0.0087 0.0234 ( 2745 PWs) bands (ev): -23.2608 -23.2608 -22.2224 -22.2224 -22.0587 -22.0587 -22.0488 -22.0488 -6.8985 -6.8985 -6.0039 -6.0039 -5.9391 -5.9391 -5.2276 -5.2276 -5.0404 -5.0404 -4.9832 -4.9832 -4.9707 -4.9707 -4.7097 -4.7097 -3.6323 -3.6323 -3.3174 -3.3174 -2.7971 -2.7971 -2.5266 -2.5266 10.0774 10.0774 11.6997 11.6997 11.7363 11.7363 13.0450 13.0450 13.3286 13.3286 13.7347 13.7347 15.0993 15.0993 15.2247 15.2247 k =-0.0109 0.0044 0.0117 ( 2741 PWs) bands (ev): -23.2618 -23.2618 -22.2197 -22.2197 -22.0589 -22.0589 -22.0501 -22.0501 -6.9005 -6.9005 -5.9924 -5.9924 -5.9484 -5.9484 -5.2277 -5.2277 -5.0292 -5.0292 -4.9882 -4.9882 -4.9822 -4.9822 -4.7112 -4.7112 -3.6300 -3.6300 -3.3174 -3.3174 -2.7945 -2.7945 -2.5240 -2.5240 10.0692 10.0692 11.7059 11.7059 11.7418 11.7418 13.0252 13.0252 13.3239 13.3239 13.7467 13.7467 15.1243 15.1243 15.2385 15.2385 k = 0.0000 0.0000 0.0000 ( 2739 PWs) bands (ev): -23.2621 -23.2621 -22.2188 -22.2188 -22.0592 -22.0592 -22.0504 -22.0504 -6.9011 -6.9011 -5.9873 -5.9873 -5.9528 -5.9528 -5.2277 -5.2277 -5.0221 -5.0221 -4.9971 -4.9971 -4.9821 -4.9821 -4.7118 -4.7118 -3.6292 -3.6292 -3.3173 -3.3173 -2.7937 -2.7937 -2.5231 -2.5231 10.0665 10.0665 11.7078 11.7078 11.7438 11.7438 13.0185 13.0185 13.3223 13.3223 13.7508 13.7508 15.1312 15.1312 15.2424 15.2424 k = 0.0000 0.0000 0.0000 ( 2739 PWs) bands (ev): -23.2621 -23.2621 -22.2188 -22.2188 -22.0592 -22.0592 -22.0504 -22.0504 -6.9011 -6.9011 -5.9873 -5.9873 -5.9528 -5.9528 -5.2277 -5.2277 -5.0221 -5.0221 -4.9971 -4.9971 -4.9821 -4.9821 -4.7118 -4.7118 -3.6292 -3.6292 -3.3173 -3.3173 -2.7937 -2.7937 -2.5231 -2.5231 10.0665 10.0665 11.7078 11.7078 11.7438 11.7438 13.0185 13.0185 13.3223 13.3223 13.7508 13.7508 15.1312 15.1312 15.2424 15.2424 k = 0.0062 0.0155 0.0000 ( 2743 PWs) bands (ev): -23.2616 -23.2616 -22.2189 -22.2189 -22.0593 -22.0593 -22.0506 -22.0506 -6.9004 -6.9004 -6.0030 -6.0030 -5.9443 -5.9443 -5.2372 -5.2372 -5.0214 -5.0214 -4.9922 -4.9922 -4.9725 -4.9725 -4.7082 -4.7082 -3.6298 -3.6298 -3.3182 -3.3182 -2.7944 -2.7944 -2.5248 -2.5248 10.0692 10.0692 11.7102 11.7102 11.7461 11.7461 13.0205 13.0205 13.3236 13.3236 13.7486 13.7486 15.1229 15.1229 15.2322 15.2322 k = 0.0125 0.0310 0.0000 ( 2743 PWs) bands (ev): -23.2600 -23.2600 -22.2195 -22.2195 -22.0598 -22.0598 -22.0510 -22.0510 -6.8983 -6.8983 -6.0342 -6.0342 -5.9344 -5.9344 -5.2620 -5.2620 -5.0191 -5.0191 -4.9778 -4.9778 -4.9472 -4.9472 -4.6978 -4.6978 -3.6314 -3.6314 -3.3206 -3.3206 -2.7966 -2.7966 -2.5298 -2.5298 10.0773 10.0773 11.7173 11.7173 11.7530 11.7530 13.0263 13.0263 13.3274 13.3274 13.7421 13.7421 15.0996 15.0996 15.2044 15.2044 k = 0.0187 0.0466 0.0000 ( 2747 PWs) bands (ev): -23.2575 -23.2575 -22.2205 -22.2205 -22.0605 -22.0605 -22.0517 -22.0517 -6.8947 -6.8947 -6.0725 -6.0725 -5.9304 -5.9304 -5.2960 -5.2960 -5.0152 -5.0152 -4.9546 -4.9546 -4.9126 -4.9126 -4.6806 -4.6806 -3.6341 -3.6341 -3.3246 -3.3246 -2.8002 -2.8002 -2.5381 -2.5381 10.0908 10.0908 11.7290 11.7290 11.7644 11.7644 13.0360 13.0360 13.3336 13.3336 13.7309 13.7309 15.0652 15.0652 15.1648 15.1648 k = 0.0250 0.0621 0.0000 ( 2747 PWs) bands (ev): -23.2539 -23.2539 -22.2218 -22.2218 -22.0615 -22.0615 -22.0528 -22.0528 -6.8898 -6.8898 -6.1158 -6.1158 -5.9331 -5.9331 -5.3348 -5.3348 -5.0101 -5.0101 -4.9236 -4.9236 -4.8732 -4.8732 -4.6570 -4.6570 -3.6378 -3.6378 -3.3302 -3.3302 -2.8053 -2.8053 -2.5497 -2.5497 10.1096 10.1096 11.7454 11.7454 11.7805 11.7805 13.0496 13.0496 13.3423 13.3423 13.7146 13.7146 15.0236 15.0236 15.1188 15.1188 k = 0.0312 0.0776 0.0000 ( 2747 PWs) bands (ev): -23.2494 -23.2494 -22.2235 -22.2235 -22.0629 -22.0629 -22.0541 -22.0541 -6.8835 -6.8835 -6.1627 -6.1627 -5.9419 -5.9419 -5.3759 -5.3759 -5.0037 -5.0037 -4.8859 -4.8859 -4.8314 -4.8314 -4.6275 -4.6275 -3.6425 -3.6425 -3.3372 -3.3372 -2.8119 -2.8119 -2.5644 -2.5644 10.1336 10.1336 11.7665 11.7665 11.8010 11.8010 13.0671 13.0671 13.3534 13.3534 13.6929 13.6929 14.9781 14.9781 15.0697 15.0697 k = 0.0375 0.0931 0.0000 ( 2743 PWs) bands (ev): -23.2438 -23.2438 -22.2255 -22.2255 -22.0645 -22.0645 -22.0557 -22.0557 -6.8758 -6.8758 -6.2124 -6.2124 -5.9561 -5.9561 -5.4179 -5.4179 -4.9965 -4.9965 -4.8427 -4.8427 -4.7887 -4.7887 -4.5926 -4.5926 -3.6482 -3.6482 -3.3456 -3.3456 -2.8199 -2.8199 -2.5823 -2.5823 10.1627 10.1627 11.7921 11.7921 11.8260 11.8260 13.0884 13.0884 13.3668 13.3668 13.6654 13.6654 14.9310 14.9310 15.0199 15.0199 k = 0.0437 0.1086 0.0000 ( 2743 PWs) bands (ev): -23.2372 -23.2372 -22.2280 -22.2280 -22.0664 -22.0664 -22.0576 -22.0576 -6.8668 -6.8668 -6.2640 -6.2640 -5.9747 -5.9747 -5.4600 -5.4600 -4.9883 -4.9883 -4.7951 -4.7951 -4.7462 -4.7462 -4.5528 -4.5528 -3.6548 -3.6548 -3.3553 -3.3553 -2.8292 -2.8292 -2.6030 -2.6030 10.1968 10.1968 11.8222 11.8222 11.8554 11.8554 13.1135 13.1135 13.3825 13.3825 13.6316 13.6316 14.8838 14.8838 14.9705 14.9705 k = 0.0500 0.1242 0.0000 ( 2771 PWs) bands (ev): -23.2297 -23.2297 -22.2308 -22.2308 -22.0686 -22.0686 -22.0598 -22.0598 -6.8565 -6.8565 -6.3168 -6.3168 -5.9967 -5.9967 -5.5017 -5.5017 -4.9793 -4.9793 -4.7443 -4.7443 -4.7044 -4.7044 -4.5087 -4.5087 -3.6623 -3.6623 -3.3660 -3.3660 -2.8400 -2.8400 -2.6266 -2.6266 10.2357 10.2357 11.8568 11.8568 11.8891 11.8891 13.1424 13.1424 13.4004 13.4004 13.5916 13.5916 14.8374 14.8374 14.9226 14.9226 k = 0.0562 0.1397 0.0000 ( 2779 PWs) bands (ev): -23.2212 -23.2212 -22.2339 -22.2339 -22.0711 -22.0711 -22.0623 -22.0623 -6.8449 -6.8449 -6.3703 -6.3703 -6.0213 -6.0213 -5.5428 -5.5428 -4.9696 -4.9696 -4.6912 -4.6912 -4.6640 -4.6640 -4.4607 -4.4607 -3.6707 -3.6707 -3.3775 -3.3775 -2.8520 -2.8520 -2.6528 -2.6528 10.2792 10.2792 11.8957 11.8957 11.9271 11.9271 13.1751 13.1751 13.4203 13.4203 13.5456 13.5456 14.7924 14.7924 14.8765 14.8765 k = 0.0624 0.1552 0.0000 ( 2787 PWs) bands (ev): -23.2116 -23.2116 -22.2375 -22.2375 -22.0739 -22.0739 -22.0651 -22.0651 -6.8320 -6.8320 -6.4239 -6.4239 -6.0479 -6.0479 -5.5829 -5.5829 -4.9591 -4.9591 -4.6365 -4.6365 -4.6253 -4.6253 -4.4094 -4.4094 -3.6800 -3.6800 -3.3896 -3.3896 -2.8654 -2.8654 -2.6815 -2.6815 10.3272 10.3272 11.9388 11.9388 11.9691 11.9691 13.2114 13.2114 13.4422 13.4422 13.4939 13.4939 14.7491 14.7491 14.8328 14.8328 k = 0.0687 0.1707 0.0000 ( 2771 PWs) bands (ev): -23.2012 -23.2012 -22.2414 -22.2414 -22.0769 -22.0769 -22.0681 -22.0681 -6.8179 -6.8179 -6.4773 -6.4773 -6.0758 -6.0758 -5.6217 -5.6217 -4.9478 -4.9478 -4.5894 -4.5894 -4.5806 -4.5806 -4.3552 -4.3552 -3.6901 -3.6901 -3.4020 -3.4020 -2.8801 -2.8801 -2.7124 -2.7124 10.3794 10.3794 11.9860 11.9860 12.0152 12.0152 13.2514 13.2514 13.4373 13.4373 13.4660 13.4660 14.7080 14.7080 14.7916 14.7916 k = 0.0749 0.1862 0.0000 ( 2763 PWs) bands (ev): -23.1897 -23.1897 -22.2457 -22.2457 -22.0803 -22.0803 -22.0715 -22.0715 -6.8027 -6.8027 -6.5301 -6.5301 -6.1045 -6.1045 -5.6592 -5.6592 -4.9358 -4.9358 -4.5560 -4.5560 -4.5246 -4.5246 -4.2987 -4.2987 -3.7011 -3.7011 -3.4142 -3.4142 -2.8960 -2.8960 -2.7454 -2.7454 10.4356 10.4356 12.0372 12.0372 12.0651 12.0651 13.2949 13.2949 13.3766 13.3766 13.4915 13.4915 14.6693 14.6693 14.7533 14.7533 k = 0.0812 0.2018 0.0000 ( 2755 PWs) bands (ev): -23.1774 -23.1774 -22.2503 -22.2503 -22.0839 -22.0839 -22.0751 -22.0751 -6.7864 -6.7864 -6.5821 -6.5821 -6.1335 -6.1335 -5.6952 -5.6952 -4.9230 -4.9230 -4.5261 -4.5261 -4.4685 -4.4685 -4.2402 -4.2402 -3.7132 -3.7132 -3.4258 -3.4258 -2.9131 -2.9131 -2.7800 -2.7800 10.4957 10.4957 12.0921 12.0921 12.1187 12.1187 13.3125 13.3125 13.3419 13.3419 13.5186 13.5186 14.6332 14.6332 14.7179 14.7179 k = 0.0874 0.2173 0.0000 ( 2755 PWs) bands (ev): -23.1641 -23.1641 -22.2553 -22.2553 -22.0879 -22.0879 -22.0791 -22.0791 -6.7691 -6.7691 -6.6330 -6.6330 -6.1625 -6.1625 -5.7294 -5.7294 -4.9094 -4.9094 -4.5001 -4.5001 -4.4126 -4.4126 -4.1802 -4.1802 -3.7265 -3.7265 -3.4364 -3.4364 -2.9313 -2.9313 -2.8161 -2.8161 10.5592 10.5592 12.1506 12.1506 12.1757 12.1757 13.2466 13.2466 13.3919 13.3919 13.5471 13.5471 14.6000 14.6000 14.6855 14.6855 k = 0.0937 0.2328 0.0000 ( 2771 PWs) bands (ev): -23.1499 -23.1499 -22.2607 -22.2607 -22.0921 -22.0921 -22.0833 -22.0833 -6.7509 -6.7509 -6.6826 -6.6826 -6.1912 -6.1912 -5.7618 -5.7618 -4.8950 -4.8950 -4.4784 -4.4784 -4.3570 -4.3570 -4.1192 -4.1192 -3.7412 -3.7412 -3.4455 -3.4455 -2.9505 -2.9505 -2.8532 -2.8532 10.6260 10.6260 12.2123 12.2123 12.2359 12.2359 13.1792 13.1792 13.4450 13.4450 13.5771 13.5771 14.5699 14.5699 14.6564 14.6564 k = 0.0999 0.2483 0.0000 ( 2771 PWs) bands (ev): -23.1348 -23.1348 -22.2664 -22.2664 -22.0966 -22.0966 -22.0877 -22.0877 -6.7340 -6.7340 -6.7286 -6.7286 -6.2193 -6.2193 -5.7922 -5.7922 -4.8798 -4.8798 -4.4613 -4.4613 -4.3019 -4.3019 -4.0576 -4.0576 -3.7577 -3.7577 -3.4527 -3.4527 -2.9707 -2.9707 -2.8909 -2.8909 10.6959 10.6959 12.2771 12.2771 12.2991 12.2991 13.1114 13.1114 13.5005 13.5005 13.6085 13.6085 14.5431 14.5431 14.6305 14.6305 k = 0.1061 0.2638 0.0000 ( 2771 PWs) bands (ev): -23.1189 -23.1189 -22.2725 -22.2725 -22.1013 -22.1013 -22.0925 -22.0925 -6.7777 -6.7777 -6.7117 -6.7117 -6.2466 -6.2466 -5.8205 -5.8205 -4.8639 -4.8639 -4.4493 -4.4493 -4.2475 -4.2475 -3.9959 -3.9959 -3.7761 -3.7761 -3.4578 -3.4578 -2.9919 -2.9919 -2.9287 -2.9287 10.7685 10.7685 12.3446 12.3446 12.3649 12.3649 13.0439 13.0439 13.5577 13.5577 13.6419 13.6419 14.5198 14.5198 14.6081 14.6081 k = 0.1124 0.2794 0.0000 ( 2767 PWs) bands (ev): -23.1021 -23.1021 -22.2789 -22.2789 -22.1064 -22.1064 -22.0975 -22.0975 -6.8226 -6.8226 -6.6913 -6.6913 -6.2729 -6.2729 -5.8465 -5.8465 -4.8472 -4.8472 -4.4425 -4.4425 -4.1938 -4.1938 -3.9345 -3.9345 -3.7966 -3.7966 -3.4609 -3.4609 -3.0138 -3.0138 -2.9658 -2.9658 10.8436 10.8436 12.4143 12.4143 12.4330 12.4330 12.9774 12.9774 13.6144 13.6144 13.6790 13.6790 14.5001 14.5001 14.5893 14.5893 k = 0.1186 0.2949 0.0000 ( 2767 PWs) bands (ev): -23.0844 -23.0844 -22.2857 -22.2857 -22.1117 -22.1117 -22.1028 -22.1028 -6.8656 -6.8656 -6.6702 -6.6702 -6.2981 -6.2981 -5.8700 -5.8700 -4.8298 -4.8298 -4.4408 -4.4408 -4.1409 -4.1409 -3.8738 -3.8738 -3.8193 -3.8193 -3.4627 -3.4627 -3.0364 -3.0364 -3.0014 -3.0014 10.9210 10.9210 12.4859 12.4859 12.5029 12.5029 12.9125 12.9125 13.6659 13.6659 13.7239 13.7239 14.4843 14.4843 14.5741 14.5741 k = 0.1249 0.3104 0.0000 ( 2759 PWs) bands (ev): -23.0660 -23.0660 -22.2927 -22.2927 -22.1172 -22.1172 -22.1084 -22.1084 -6.9068 -6.9068 -6.6488 -6.6488 -6.3219 -6.3219 -5.8910 -5.8910 -4.8117 -4.8117 -4.4443 -4.4443 -4.0889 -4.0889 -3.8446 -3.8446 -3.8140 -3.8140 -3.4640 -3.4640 -3.0595 -3.0595 -3.0343 -3.0343 11.0003 11.0003 12.5587 12.5587 12.5742 12.5742 12.8498 12.8498 13.7080 13.7080 13.7802 13.7802 14.4726 14.4726 14.5628 14.5628 k = 0.1311 0.3259 0.0000 ( 2759 PWs) bands (ev): -23.0467 -23.0467 -22.3002 -22.3002 -22.1231 -22.1231 -22.1142 -22.1142 -6.9459 -6.9459 -6.6272 -6.6272 -6.3444 -6.3444 -5.9093 -5.9093 -4.7929 -4.7929 -4.4526 -4.4526 -4.0378 -4.0378 -3.8716 -3.8716 -3.7561 -3.7561 -3.4665 -3.4665 -3.0828 -3.0828 -3.0632 -3.0632 11.0813 11.0813 12.6319 12.6319 12.6462 12.6462 12.7898 12.7898 13.7435 13.7435 13.8447 13.8447 14.4654 14.4654 14.5556 14.5556 k = 0.1374 0.3414 0.0000 ( 2759 PWs) bands (ev): -23.0267 -23.0267 -22.3079 -22.3079 -22.1292 -22.1292 -22.1203 -22.1203 -6.9829 -6.9829 -6.6055 -6.6055 -6.3653 -6.3653 -5.9246 -5.9246 -4.7733 -4.7733 -4.4656 -4.4656 -3.9877 -3.9877 -3.9006 -3.9006 -3.7002 -3.7002 -3.4720 -3.4720 -3.1059 -3.1059 -3.0864 -3.0864 11.1638 11.1638 12.7009 12.7009 12.7183 12.7183 12.7371 12.7371 13.7754 13.7754 13.9135 13.9135 14.4630 14.4630 14.5529 14.5529 k = 0.1436 0.3570 0.0000 ( 2759 PWs) bands (ev): -23.0059 -23.0059 -22.3160 -22.3160 -22.1355 -22.1355 -22.1266 -22.1266 -7.0177 -7.0177 -6.5840 -6.5840 -6.3846 -6.3846 -5.9370 -5.9370 -4.7532 -4.7532 -4.4828 -4.4828 -3.9387 -3.9387 -3.9314 -3.9314 -3.6471 -3.6471 -3.4823 -3.4823 -3.1282 -3.1282 -3.1026 -3.1026 11.2474 11.2474 12.6749 12.6749 12.7817 12.7817 12.7900 12.7900 13.8051 13.8051 13.9846 13.9846 14.4658 14.4658 14.5549 14.5549 k = 0.1499 0.3725 0.0000 ( 2759 PWs) bands (ev): -22.9845 -22.9845 -22.3243 -22.3243 -22.1421 -22.1421 -22.1332 -22.1332 -7.0502 -7.0502 -6.5627 -6.5627 -6.4022 -6.4022 -5.9462 -5.9462 -4.7323 -4.7323 -4.5038 -4.5038 -3.9637 -3.9637 -3.8910 -3.8910 -3.5976 -3.5976 -3.4989 -3.4989 -3.1490 -3.1490 -3.1106 -3.1106 11.3319 11.3319 12.6248 12.6248 12.8523 12.8523 12.8601 12.8601 13.8327 13.8327 14.0569 14.0569 14.4743 14.4743 14.5620 14.5620 k = 0.1561 0.3880 0.0000 ( 2767 PWs) bands (ev): -22.9623 -22.9623 -22.3330 -22.3330 -22.1489 -22.1489 -22.1400 -22.1400 -7.0805 -7.0805 -6.5419 -6.5419 -6.4181 -6.4181 -5.9522 -5.9522 -4.7109 -4.7109 -4.5283 -4.5283 -3.9973 -3.9973 -3.8445 -3.8445 -3.5530 -3.5530 -3.5219 -3.5219 -3.1675 -3.1675 -3.1104 -3.1104 11.4169 11.4169 12.5778 12.5778 12.9210 12.9210 12.9280 12.9280 13.8581 13.8581 14.1298 14.1298 14.4890 14.4890 14.5747 14.5747 k = 0.1623 0.4035 0.0000 ( 2767 PWs) bands (ev): -22.9394 -22.9394 -22.3419 -22.3419 -22.1560 -22.1560 -22.1470 -22.1470 -7.1084 -7.1084 -6.5216 -6.5216 -6.4321 -6.4321 -5.9549 -5.9549 -4.6889 -4.6889 -4.5558 -4.5558 -4.0321 -4.0321 -3.7995 -3.7995 -3.5512 -3.5512 -3.5146 -3.5146 -3.1818 -3.1818 -3.1028 -3.1028 11.5022 11.5022 12.5346 12.5346 12.9864 12.9864 12.9927 12.9927 13.8812 13.8812 14.2025 14.2025 14.5105 14.5105 14.5935 14.5935 k = 0.1686 0.4190 0.0000 ( 2763 PWs) bands (ev): -22.9160 -22.9160 -22.3512 -22.3512 -22.1632 -22.1632 -22.1543 -22.1543 -7.1339 -7.1339 -6.5021 -6.5021 -6.4441 -6.4441 -5.9542 -5.9542 -4.6664 -4.6664 -4.5859 -4.5859 -4.0678 -4.0678 -3.7562 -3.7562 -3.5849 -3.5849 -3.4854 -3.4854 -3.1897 -3.1897 -3.0893 -3.0893 11.5875 11.5875 12.4954 12.4954 13.0473 13.0473 13.0532 13.0532 13.9017 13.9017 14.2741 14.2741 14.5393 14.5393 14.6188 14.6188 k = 0.1748 0.4346 0.0000 ( 2763 PWs) bands (ev): -22.8919 -22.8919 -22.3607 -22.3607 -22.1707 -22.1707 -22.1618 -22.1618 -7.1570 -7.1570 -6.4834 -6.4834 -6.4542 -6.4542 -5.9503 -5.9503 -4.6433 -4.6433 -4.6183 -4.6183 -4.1043 -4.1043 -3.7147 -3.7147 -3.6223 -3.6223 -3.4673 -3.4673 -3.1888 -3.1888 -3.0715 -3.0715 11.6723 11.6723 12.4604 12.4604 13.1029 13.1029 13.1088 13.1088 13.9193 13.9193 14.3441 14.3441 14.5758 14.5758 14.6511 14.6511 k = 0.1811 0.4501 0.0000 ( 2763 PWs) bands (ev): -22.8672 -22.8672 -22.3704 -22.3704 -22.1784 -22.1784 -22.1695 -22.1695 -7.1776 -7.1776 -6.4666 -6.4666 -6.4610 -6.4610 -5.9433 -5.9433 -4.6524 -4.6524 -4.6198 -4.6198 -4.1413 -4.1413 -3.6755 -3.6755 -3.6621 -3.6621 -3.4609 -3.4609 -3.1782 -3.1782 -3.0506 -3.0506 11.7565 11.7565 12.4297 12.4297 13.1523 13.1523 13.1587 13.1587 13.9337 13.9337 14.4115 14.4115 14.6203 14.6203 14.6906 14.6906 k = 0.1873 0.4656 0.0000 ( 2759 PWs) bands (ev): -22.8421 -22.8421 -22.3805 -22.3805 -22.1863 -22.1863 -22.1773 -22.1773 -7.1958 -7.1958 -6.4690 -6.4690 -6.4474 -6.4474 -5.9335 -5.9335 -4.6880 -4.6880 -4.5958 -4.5958 -4.1787 -4.1787 -3.7037 -3.7037 -3.6396 -3.6396 -3.4643 -3.4643 -3.1593 -3.1593 -3.0277 -3.0277 11.8394 11.8394 12.4035 12.4035 13.1952 13.1952 13.2024 13.2024 13.9447 13.9447 14.4755 14.4755 14.6727 14.6727 14.7375 14.7375 k = 0.1936 0.4811 0.0000 ( 2751 PWs) bands (ev): -22.8164 -22.8164 -22.3907 -22.3907 -22.1944 -22.1944 -22.1854 -22.1854 -7.2115 -7.2115 -6.4729 -6.4729 -6.4307 -6.4307 -5.9213 -5.9213 -4.7246 -4.7246 -4.5714 -4.5714 -4.2164 -4.2164 -3.7464 -3.7464 -3.6087 -3.6087 -3.4726 -3.4726 -3.1348 -3.1348 -3.0036 -3.0036 11.9208 11.9208 12.3818 12.3818 13.2313 13.2313 13.2394 13.2394 13.9522 13.9522 14.5352 14.5352 14.7329 14.7329 14.7917 14.7917 k = 0.1998 0.4966 0.0000 ( 2751 PWs) bands (ev): -22.7902 -22.7902 -22.4012 -22.4012 -22.2027 -22.2027 -22.1937 -22.1937 -7.2246 -7.2246 -6.4749 -6.4749 -6.4143 -6.4143 -5.9070 -5.9070 -4.7617 -4.7617 -4.5466 -4.5466 -4.2542 -4.2542 -3.7896 -3.7896 -3.5876 -3.5876 -3.4786 -3.4786 -3.1076 -3.1076 -2.9789 -2.9789 12.0000 12.0000 12.3647 12.3647 13.2606 13.2606 13.2696 13.2696 13.9558 13.9558 14.5898 14.5898 14.8004 14.8004 14.8528 14.8528 k = 0.2061 0.5121 0.0000 ( 2743 PWs) bands (ev): -22.7636 -22.7636 -22.4118 -22.4118 -22.2111 -22.2111 -22.2021 -22.2021 -7.2353 -7.2353 -6.4747 -6.4747 -6.3980 -6.3980 -5.8912 -5.8912 -4.7989 -4.7989 -4.5215 -4.5215 -4.2920 -4.2920 -3.8331 -3.8331 -3.5834 -3.5834 -3.4734 -3.4734 -3.0796 -3.0796 -2.9542 -2.9542 12.0765 12.0765 12.3523 12.3523 13.2834 13.2834 13.2934 13.2934 13.9555 13.9555 14.6384 14.6384 14.8743 14.8743 14.9202 14.9202 k = 0.2123 0.5277 0.0000 ( 2723 PWs) bands (ev): -22.7366 -22.7366 -22.4227 -22.4227 -22.2197 -22.2197 -22.2106 -22.2106 -7.2434 -7.2434 -6.4725 -6.4725 -6.3817 -6.3817 -5.8745 -5.8745 -4.8357 -4.8357 -4.4961 -4.4961 -4.3295 -4.3295 -3.8766 -3.8766 -3.5960 -3.5960 -3.4557 -3.4557 -3.0520 -3.0520 -2.9298 -2.9298 12.1496 12.1496 12.3445 12.3445 13.3001 13.3001 13.3110 13.3110 13.9513 13.9513 14.6802 14.6802 14.9537 14.9537 14.9932 14.9932 k = 0.2185 0.5432 0.0000 ( 2723 PWs) bands (ev): -22.7092 -22.7092 -22.4337 -22.4337 -22.2284 -22.2284 -22.2194 -22.2194 -7.2490 -7.2490 -6.4681 -6.4681 -6.3652 -6.3652 -5.8577 -5.8577 -4.8715 -4.8715 -4.4704 -4.4704 -4.3667 -4.3667 -3.9199 -3.9199 -3.6183 -3.6183 -3.4322 -3.4322 -3.0257 -3.0257 -2.9060 -2.9060 12.2186 12.2186 12.3413 12.3413 13.3115 13.3115 13.3229 13.3229 13.9431 13.9431 14.7148 14.7148 15.0072 15.0072 15.0380 15.0380 k = 0.2248 0.5587 0.0000 ( 2739 PWs) bands (ev): -22.6815 -22.6815 -22.4449 -22.4449 -22.2372 -22.2372 -22.2282 -22.2282 -7.2521 -7.2521 -6.4617 -6.4617 -6.3482 -6.3482 -5.8416 -5.8416 -4.9058 -4.9058 -4.4446 -4.4446 -4.4032 -4.4032 -3.9628 -3.9628 -3.6452 -3.6452 -3.4072 -3.4072 -3.0012 -3.0012 -2.8831 -2.8831 12.2826 12.2826 12.3428 12.3428 13.3180 13.3180 13.3298 13.3298 13.9310 13.9310 14.7415 14.7415 14.9410 14.9410 15.1255 15.1255 k = 0.2310 0.5742 0.0000 ( 2739 PWs) bands (ev): -22.6535 -22.6535 -22.4563 -22.4563 -22.2462 -22.2462 -22.2372 -22.2372 -7.2526 -7.2526 -6.4530 -6.4530 -6.3306 -6.3306 -5.8269 -5.8269 -4.9378 -4.9378 -4.4394 -4.4394 -4.4181 -4.4181 -4.0052 -4.0052 -3.6746 -3.6746 -3.3828 -3.3828 -2.9788 -2.9788 -2.8614 -2.8614 12.3405 12.3405 12.3490 12.3490 13.3203 13.3203 13.3323 13.3323 13.9151 13.9151 14.7604 14.7604 14.8782 14.8782 15.2157 15.2157 k = 0.2373 0.5897 0.0000 ( 2740 PWs) bands (ev): -22.6253 -22.6253 -22.4677 -22.4677 -22.2553 -22.2553 -22.2462 -22.2462 -7.2507 -7.2507 -6.4423 -6.4423 -6.3122 -6.3122 -5.8146 -5.8146 -4.9670 -4.9670 -4.4741 -4.4741 -4.3921 -4.3921 -4.0469 -4.0469 -3.7053 -3.7053 -3.3597 -3.3597 -2.9586 -2.9586 -2.8409 -2.8409 12.3593 12.3593 12.3919 12.3919 13.3191 13.3191 13.3311 13.3311 13.8955 13.8955 14.7715 14.7715 14.8192 14.8192 15.3076 15.3076 k = 0.2435 0.6053 0.0000 ( 2740 PWs) bands (ev): -22.5969 -22.5969 -22.4792 -22.4792 -22.2645 -22.2645 -22.2554 -22.2554 -7.2463 -7.2463 -6.4294 -6.4294 -6.2928 -6.2928 -5.8056 -5.8056 -4.9928 -4.9928 -4.5076 -4.5076 -4.3659 -4.3659 -4.0879 -4.0879 -3.7370 -3.7370 -3.3385 -3.3385 -2.9409 -2.9409 -2.8220 -2.8220 12.3744 12.3744 12.4349 12.4349 13.3149 13.3149 13.3267 13.3267 13.8724 13.8724 14.7639 14.7639 14.7752 14.7752 15.4003 15.4003 k = 0.2498 0.6208 0.0000 ( 2740 PWs) bands (ev): -22.5683 -22.5683 -22.4908 -22.4908 -22.2737 -22.2737 -22.2646 -22.2646 -7.2395 -7.2395 -6.4144 -6.4144 -6.2725 -6.2725 -5.8007 -5.8007 -5.0146 -5.0146 -4.5396 -4.5396 -4.3395 -4.3395 -4.1280 -4.1280 -3.7692 -3.7692 -3.3193 -3.3193 -2.9256 -2.9256 -2.8047 -2.8047 12.3938 12.3938 12.4688 12.4688 13.3083 13.3083 13.3197 13.3197 13.8461 13.8461 14.7124 14.7124 14.7719 14.7719 15.4929 15.4929 k = 0.2560 0.6363 0.0000 ( 2752 PWs) bands (ev): -22.5398 -22.5398 -22.5023 -22.5023 -22.2830 -22.2830 -22.2739 -22.2739 -7.2302 -7.2302 -6.3974 -6.3974 -6.2510 -6.2510 -5.8006 -5.8006 -5.0320 -5.0320 -4.5695 -4.5695 -4.3132 -4.3132 -4.1672 -4.1672 -3.8016 -3.8016 -3.3024 -3.3024 -2.9129 -2.9129 -2.7891 -2.7891 12.4173 12.4173 12.4925 12.4925 13.2997 13.2997 13.3107 13.3107 13.8169 13.8169 14.6647 14.6647 14.7622 14.7622 15.5848 15.5848 k = 0.2623 0.6518 0.0000 ( 2752 PWs) bands (ev): -22.5173 -22.5173 -22.5078 -22.5078 -22.2924 -22.2924 -22.2833 -22.2833 -7.2185 -7.2185 -6.3782 -6.3782 -6.2285 -6.2285 -5.8058 -5.8058 -5.0452 -5.0452 -4.5971 -4.5971 -4.2870 -4.2870 -4.2052 -4.2052 -3.8343 -3.8343 -3.2879 -3.2879 -2.9026 -2.9026 -2.7754 -2.7754 12.4449 12.4449 12.5051 12.5051 13.2894 13.2894 13.3000 13.3000 13.7849 13.7849 14.6209 14.6209 14.7463 14.7463 15.6748 15.6748 k = 0.2685 0.6673 0.0000 ( 2752 PWs) bands (ev): -22.5269 -22.5269 -22.4813 -22.4813 -22.3018 -22.3018 -22.2926 -22.2926 -7.2045 -7.2045 -6.3570 -6.3570 -6.2048 -6.2048 -5.8163 -5.8163 -5.0546 -5.0546 -4.6217 -4.6217 -4.2610 -4.2610 -4.2418 -4.2418 -3.8669 -3.8669 -3.2760 -3.2760 -2.8949 -2.8949 -2.7637 -2.7637 12.4763 12.4763 12.5060 12.5060 13.2779 13.2779 13.2881 13.2881 13.7505 13.7505 14.5810 14.5810 14.7242 14.7242 15.7618 15.7618 k = 0.2747 0.6829 0.0000 ( 2752 PWs) bands (ev): -22.5385 -22.5385 -22.4526 -22.4526 -22.3112 -22.3112 -22.3020 -22.3020 -7.1881 -7.1881 -6.3338 -6.3338 -6.1800 -6.1800 -5.8320 -5.8320 -5.0609 -5.0609 -4.6429 -4.6429 -4.2773 -4.2773 -4.2347 -4.2347 -3.8994 -3.8994 -3.2666 -3.2666 -2.8896 -2.8896 -2.7540 -2.7540 12.4944 12.4944 12.5116 12.5116 13.2653 13.2653 13.2752 13.2752 13.7140 13.7140 14.5450 14.5450 14.6951 14.6951 15.8436 15.8436 k = 0.2810 0.6984 0.0000 ( 2756 PWs) bands (ev): -22.5503 -22.5503 -22.4239 -22.4239 -22.3206 -22.3206 -22.3114 -22.3114 -7.1695 -7.1695 -6.3086 -6.3086 -6.1543 -6.1543 -5.8525 -5.8525 -5.0653 -5.0653 -4.6600 -4.6600 -4.3107 -4.3107 -4.2090 -4.2090 -3.9317 -3.9317 -3.2601 -3.2601 -2.8866 -2.8866 -2.7464 -2.7464 12.4712 12.4712 12.5498 12.5498 13.2520 13.2520 13.2617 13.2617 13.6758 13.6758 14.5131 14.5131 14.6579 14.6579 15.9141 15.9141 k = 0.2872 0.7139 0.0000 ( 2764 PWs) bands (ev): -22.5621 -22.5621 -22.3952 -22.3952 -22.3300 -22.3300 -22.3208 -22.3208 -7.1486 -7.1486 -6.2815 -6.2815 -6.1277 -6.1277 -5.8769 -5.8769 -5.0690 -5.0690 -4.6728 -4.6728 -4.3419 -4.3419 -4.1836 -4.1836 -3.9636 -3.9636 -3.2563 -3.2563 -2.8859 -2.8859 -2.7411 -2.7411 12.4364 12.4364 12.5911 12.5911 13.2382 13.2382 13.2478 13.2478 13.6360 13.6360 14.4851 14.4851 14.6111 14.6111 15.8257 15.8257 k = 0.2935 0.7294 0.0000 ( 2764 PWs) bands (ev): -22.5738 -22.5738 -22.3667 -22.3667 -22.3393 -22.3393 -22.3302 -22.3302 -7.1256 -7.1256 -6.2525 -6.2525 -6.1006 -6.1006 -5.9044 -5.9044 -5.0732 -5.0732 -4.6812 -4.6812 -4.3702 -4.3702 -4.1586 -4.1586 -3.9951 -3.9951 -3.2554 -3.2554 -2.8874 -2.8874 -2.7380 -2.7380 12.3907 12.3907 12.6349 12.6349 13.2238 13.2238 13.2335 13.2335 13.5950 13.5950 14.4612 14.4612 14.5535 14.5535 15.6949 15.6949 k = 0.2997 0.7449 0.0000 ( 2764 PWs) bands (ev): -22.5855 -22.5855 -22.3487 -22.3487 -22.3394 -22.3394 -22.3383 -22.3383 -7.1004 -7.1004 -6.2217 -6.2217 -6.0737 -6.0737 -5.9337 -5.9337 -5.0786 -5.0786 -4.6858 -4.6858 -4.3949 -4.3949 -4.1342 -4.1342 -4.0259 -4.0259 -3.2575 -3.2575 -2.8910 -2.8910 -2.7372 -2.7372 12.3353 12.3353 12.6808 12.6808 13.2091 13.2091 13.2191 13.2191 13.5531 13.5531 14.4414 14.4414 14.4845 14.4845 15.5677 15.5677 k = 0.3060 0.7605 0.0000 ( 2768 PWs) bands (ev): -22.5971 -22.5971 -22.3579 -22.3579 -22.3487 -22.3487 -22.3102 -22.3102 -7.0732 -7.0732 -6.1890 -6.1890 -6.0492 -6.0492 -5.9622 -5.9622 -5.0855 -5.0855 -4.6879 -4.6879 -4.4147 -4.4147 -4.1115 -4.1115 -4.0550 -4.0550 -3.2625 -3.2625 -2.8966 -2.8966 -2.7387 -2.7387 12.2714 12.2714 12.7282 12.7282 13.1941 13.1941 13.2045 13.2045 13.5104 13.5104 14.4042 14.4042 14.4256 14.4256 15.4453 15.4453 k = 0.3122 0.7760 0.0000 ( 2760 PWs) bands (ev): -22.6086 -22.6086 -22.3670 -22.3670 -22.3578 -22.3578 -22.2824 -22.2824 -7.0441 -7.0441 -6.1547 -6.1547 -6.0380 -6.0380 -5.9787 -5.9787 -5.0939 -5.0939 -4.6897 -4.6897 -4.4281 -4.4281 -4.1005 -4.1005 -4.0723 -4.0723 -3.2705 -3.2705 -2.9041 -2.9041 -2.7426 -2.7426 12.2004 12.2004 12.7763 12.7763 13.1787 13.1787 13.1899 13.1899 13.4674 13.4674 14.3136 14.3136 14.4140 14.4140 15.3287 15.3287 k = 0.3184 0.7915 0.0000 ( 2760 PWs) bands (ev): -22.6199 -22.6199 -22.3761 -22.3761 -22.3669 -22.3669 -22.2549 -22.2549 -7.0130 -7.0130 -6.1186 -6.1186 -6.0564 -6.0564 -5.9665 -5.9665 -5.1031 -5.1031 -4.6933 -4.6933 -4.4336 -4.4336 -4.1220 -4.1220 -4.0570 -4.0570 -3.2815 -3.2815 -2.9133 -2.9133 -2.7490 -2.7490 12.1237 12.1237 12.8242 12.8242 13.1630 13.1630 13.1752 13.1752 13.4241 13.4241 14.2145 14.2145 14.4065 14.4065 15.2190 15.2190 k = 0.3247 0.8070 0.0000 ( 2764 PWs) bands (ev): -22.6311 -22.6311 -22.3850 -22.3850 -22.3758 -22.3758 -22.2278 -22.2278 -6.9800 -6.9800 -6.0890 -6.0890 -6.0804 -6.0804 -5.9416 -5.9416 -5.1124 -5.1124 -4.7004 -4.7004 -4.4303 -4.4303 -4.1498 -4.1498 -4.0354 -4.0354 -3.2954 -3.2954 -2.9243 -2.9243 -2.7577 -2.7577 12.0425 12.0425 12.8709 12.8709 13.1470 13.1470 13.1602 13.1602 13.3809 13.3809 14.1085 14.1085 14.4032 14.4032 15.1173 15.1173 k = 0.3309 0.8225 0.0000 ( 2772 PWs) bands (ev): -22.6422 -22.6422 -22.3939 -22.3939 -22.3846 -22.3846 -22.2011 -22.2011 -6.9453 -6.9453 -6.1238 -6.1238 -6.0417 -6.0417 -5.9144 -5.9144 -5.1209 -5.1209 -4.7117 -4.7117 -4.4184 -4.4184 -4.1778 -4.1778 -4.0136 -4.0136 -3.3123 -3.3123 -2.9368 -2.9368 -2.7689 -2.7689 11.9581 11.9581 12.9151 12.9151 13.1307 13.1307 13.1450 13.1450 13.3379 13.3379 13.9974 13.9974 14.4040 14.4040 15.0249 15.0249 k = 0.3309 0.8225 0.0000 ( 2772 PWs) bands (ev): -22.6422 -22.6422 -22.3939 -22.3939 -22.3846 -22.3846 -22.2011 -22.2011 -6.9453 -6.9453 -6.1238 -6.1238 -6.0417 -6.0417 -5.9144 -5.9144 -5.1209 -5.1209 -4.7117 -4.7117 -4.4184 -4.4184 -4.1778 -4.1778 -4.0136 -4.0136 -3.3123 -3.3123 -2.9368 -2.9368 -2.7689 -2.7689 11.9581 11.9581 12.9151 12.9151 13.1307 13.1307 13.1450 13.1450 13.3379 13.3379 13.9974 13.9974 14.4040 14.4040 15.0249 15.0249 k = 0.3286 0.8168 0.0154 ( 2772 PWs) bands (ev): -22.6386 -22.6386 -22.3901 -22.3901 -22.3813 -22.3813 -22.2109 -22.2109 -6.9584 -6.9584 -6.1143 -6.1143 -6.0540 -6.0540 -5.9244 -5.9244 -5.1173 -5.1173 -4.7065 -4.7065 -4.4231 -4.4231 -4.1678 -4.1678 -4.0214 -4.0214 -3.3058 -3.3058 -2.9326 -2.9326 -2.7642 -2.7642 11.9915 11.9915 12.8991 12.8991 13.1288 13.1288 13.1479 13.1479 13.3602 13.3602 14.0420 14.0420 14.4011 14.4011 15.0550 15.0550 k = 0.3263 0.8110 0.0308 ( 2772 PWs) bands (ev): -22.6360 -22.6360 -22.3854 -22.3854 -22.3781 -22.3781 -22.2206 -22.2206 -6.9712 -6.9712 -6.1160 -6.1160 -6.0581 -6.0581 -5.9340 -5.9340 -5.1122 -5.1122 -4.7007 -4.7007 -4.4257 -4.4257 -4.1585 -4.1585 -4.0286 -4.0286 -3.2999 -3.2999 -2.9296 -2.9296 -2.7594 -2.7594 12.0281 12.0281 12.8833 12.8833 13.1150 13.1150 13.1443 13.1443 13.3926 13.3926 14.0909 14.0909 14.3947 14.3947 15.0805 15.0805 k = 0.3240 0.8053 0.0462 ( 2769 PWs) bands (ev): -22.6343 -22.6343 -22.3799 -22.3799 -22.3748 -22.3748 -22.2302 -22.2302 -6.9836 -6.9836 -6.1285 -6.1285 -6.0548 -6.0548 -5.9426 -5.9426 -5.1055 -5.1055 -4.6940 -4.6940 -4.4265 -4.4265 -4.1501 -4.1501 -4.0349 -4.0349 -3.2945 -3.2945 -2.9279 -2.9279 -2.7547 -2.7547 12.0677 12.0677 12.8686 12.8686 13.0939 13.0939 13.1341 13.1341 13.4312 13.4312 14.1424 14.1424 14.3858 14.3858 15.1015 15.1015 k = 0.3217 0.7996 0.0616 ( 2767 PWs) bands (ev): -22.6332 -22.6332 -22.3739 -22.3739 -22.3715 -22.3715 -22.2397 -22.2397 -6.9956 -6.9956 -6.1465 -6.1465 -6.0503 -6.0503 -5.9497 -5.9497 -5.0974 -5.0974 -4.6863 -4.6863 -4.4259 -4.4259 -4.1431 -4.1431 -4.0397 -4.0397 -3.2895 -3.2895 -2.9275 -2.9275 -2.7502 -2.7502 12.1100 12.1100 12.8555 12.8555 13.0682 13.0682 13.1187 13.1187 13.4728 13.4728 14.1942 14.1942 14.3756 14.3756 15.1182 15.1182 k = 0.3194 0.7938 0.0770 ( 2771 PWs) bands (ev): -22.6326 -22.6326 -22.3682 -22.3682 -22.3676 -22.3676 -22.2488 -22.2488 -7.0069 -7.0069 -6.1670 -6.1670 -6.0483 -6.0483 -5.9546 -5.9546 -5.0877 -5.0877 -4.6775 -4.6775 -4.4239 -4.4239 -4.1380 -4.1380 -4.0424 -4.0424 -3.2849 -3.2849 -2.9281 -2.9281 -2.7462 -2.7462 12.1546 12.1546 12.8448 12.8448 13.0394 13.0394 13.0990 13.0990 13.5159 13.5159 14.2440 14.2440 14.3657 14.3657 15.1312 15.1312 k = 0.3171 0.7881 0.0924 ( 2769 PWs) bands (ev): -22.6324 -22.6324 -22.3649 -22.3649 -22.3613 -22.3613 -22.2576 -22.2576 -7.0174 -7.0174 -6.1888 -6.1888 -6.0499 -6.0499 -5.9572 -5.9572 -5.0764 -5.0764 -4.6677 -4.6677 -4.4209 -4.4209 -4.1355 -4.1355 -4.0423 -4.0423 -3.2804 -3.2804 -2.9297 -2.9297 -2.7428 -2.7428 12.2006 12.2006 12.8373 12.8373 13.0081 13.0081 13.0763 13.0763 13.5594 13.5594 14.2888 14.2888 14.3580 14.3580 15.1414 15.1414 k = 0.3147 0.7823 0.1078 ( 2771 PWs) bands (ev): -22.6325 -22.6325 -22.3616 -22.3616 -22.3554 -22.3554 -22.2657 -22.2657 -7.0272 -7.0272 -6.2114 -6.2114 -6.0551 -6.0551 -5.9580 -5.9580 -5.0637 -5.0637 -4.6569 -4.6569 -4.4170 -4.4170 -4.1358 -4.1358 -4.0390 -4.0390 -3.2762 -3.2762 -2.9323 -2.9323 -2.7403 -2.7403 12.2472 12.2472 12.8340 12.8340 12.9749 12.9749 13.0515 13.0515 13.6027 13.6027 14.3238 14.3238 14.3558 14.3558 15.1499 15.1499 k = 0.3124 0.7766 0.1232 ( 2765 PWs) bands (ev): -22.6327 -22.6327 -22.3582 -22.3582 -22.3502 -22.3502 -22.2729 -22.2729 -7.0359 -7.0359 -6.2346 -6.2346 -6.0631 -6.0631 -5.9579 -5.9579 -5.0495 -5.0495 -4.6451 -4.6451 -4.4123 -4.4123 -4.1389 -4.1389 -4.0326 -4.0326 -3.2722 -3.2722 -2.9357 -2.9357 -2.7388 -2.7388 12.2928 12.2928 12.8362 12.8362 12.9399 12.9399 13.0254 13.0254 13.6453 13.6453 14.3396 14.3396 14.3672 14.3672 15.1585 15.1585 k = 0.3101 0.7708 0.1386 ( 2764 PWs) bands (ev): -22.6330 -22.6330 -22.3549 -22.3549 -22.3465 -22.3465 -22.2786 -22.2786 -7.0437 -7.0437 -6.2581 -6.2581 -6.0729 -6.0729 -5.9581 -5.9581 -5.0339 -5.0339 -4.6326 -4.6326 -4.4068 -4.4068 -4.1442 -4.1442 -4.0234 -4.0234 -3.2682 -3.2682 -2.9398 -2.9398 -2.7383 -2.7383 12.3357 12.3357 12.8450 12.8450 12.9036 12.9036 12.9991 12.9991 13.6871 13.6871 14.3454 14.3454 14.3815 14.3815 15.1687 15.1687 k = 0.3078 0.7651 0.1540 ( 2764 PWs) bands (ev): -22.6332 -22.6332 -22.3515 -22.3515 -22.3448 -22.3448 -22.2823 -22.2823 -7.0503 -7.0503 -6.2819 -6.2819 -6.0839 -6.0839 -5.9591 -5.9591 -5.0171 -5.0171 -4.6195 -4.6195 -4.4006 -4.4006 -4.1513 -4.1513 -4.0120 -4.0120 -3.2643 -3.2643 -2.9446 -2.9446 -2.7390 -2.7390 12.3738 12.3738 12.8566 12.8566 12.8714 12.8714 12.9739 12.9739 13.7278 13.7278 14.3523 14.3523 14.3866 14.3866 15.1820 15.1820 k = 0.3055 0.7593 0.1694 ( 2762 PWs) bands (ev): -22.6333 -22.6333 -22.3481 -22.3481 -22.3457 -22.3457 -22.2837 -22.2837 -7.0556 -7.0556 -6.3059 -6.3059 -6.0954 -6.0954 -5.9614 -5.9614 -4.9990 -4.9990 -4.6059 -4.6059 -4.3938 -4.3938 -4.1596 -4.1596 -3.9989 -3.9989 -3.2606 -3.2606 -2.9499 -2.9499 -2.7409 -2.7409 12.4052 12.4052 12.8240 12.8240 12.8891 12.8891 12.9532 12.9532 13.7677 13.7677 14.3545 14.3545 14.3879 14.3879 15.1992 15.1992 k = 0.3032 0.7536 0.1848 ( 2762 PWs) bands (ev): -22.6332 -22.6332 -22.3490 -22.3490 -22.3447 -22.3447 -22.2828 -22.2828 -7.0596 -7.0596 -6.3299 -6.3299 -6.1073 -6.1073 -5.9654 -5.9654 -4.9798 -4.9798 -4.5921 -4.5921 -4.3862 -4.3862 -4.1689 -4.1689 -3.9844 -3.9844 -3.2569 -3.2569 -2.9557 -2.9557 -2.7441 -2.7441 12.4290 12.4290 12.7837 12.7837 12.9016 12.9016 12.9569 12.9569 13.8069 13.8069 14.3366 14.3366 14.4017 14.4017 15.2203 15.2203 k = 0.3009 0.7478 0.2002 ( 2764 PWs) bands (ev): -22.6328 -22.6328 -22.3543 -22.3543 -22.3413 -22.3413 -22.2802 -22.2802 -7.0622 -7.0622 -6.3538 -6.3538 -6.1192 -6.1192 -5.9711 -5.9711 -4.9596 -4.9596 -4.5783 -4.5783 -4.3780 -4.3780 -4.1789 -4.1789 -3.9688 -3.9688 -3.2534 -3.2534 -2.9619 -2.9619 -2.7485 -2.7485 12.4450 12.4450 12.7424 12.7424 12.8876 12.8876 13.0002 13.0002 13.8459 13.8459 14.3022 14.3022 14.4259 14.4259 15.2449 15.2449 k = 0.2986 0.7421 0.2156 ( 2763 PWs) bands (ev): -22.6322 -22.6322 -22.3608 -22.3608 -22.3379 -22.3379 -22.2767 -22.2767 -7.0632 -7.0632 -6.3776 -6.3776 -6.1311 -6.1311 -5.9786 -5.9786 -4.9384 -4.9384 -4.5645 -4.5645 -4.3692 -4.3692 -4.1894 -4.1894 -3.9521 -3.9521 -3.2502 -3.2502 -2.9685 -2.9685 -2.7540 -2.7540 12.4542 12.4542 12.7005 12.7005 12.8687 12.8687 13.0600 13.0600 13.8851 13.8851 14.2575 14.2575 14.4562 14.4562 15.2722 15.2722 k = 0.2962 0.7363 0.2310 ( 2764 PWs) bands (ev): -22.6312 -22.6312 -22.3681 -22.3681 -22.3345 -22.3345 -22.2727 -22.2727 -7.0627 -7.0627 -6.4011 -6.4011 -6.1429 -6.1429 -5.9878 -5.9878 -4.9164 -4.9164 -4.5510 -4.5510 -4.3599 -4.3599 -4.2003 -4.2003 -3.9346 -3.9346 -3.2473 -3.2473 -2.9752 -2.9752 -2.7607 -2.7607 12.4578 12.4578 12.6585 12.6585 12.8507 12.8507 13.1283 13.1283 13.9250 13.9250 14.2065 14.2065 14.4911 14.4911 15.3012 15.3012 k = 0.2939 0.7306 0.2464 ( 2762 PWs) bands (ev): -22.6299 -22.6299 -22.3759 -22.3759 -22.3311 -22.3311 -22.2687 -22.2687 -7.0605 -7.0605 -6.4244 -6.4244 -6.1544 -6.1544 -5.9988 -5.9988 -4.8937 -4.8937 -4.5378 -4.5378 -4.3501 -4.3501 -4.2116 -4.2116 -3.9163 -3.9163 -3.2450 -3.2450 -2.9820 -2.9820 -2.7684 -2.7684 12.4572 12.4572 12.6168 12.6168 12.8349 12.8349 13.2014 13.2014 13.9659 13.9659 14.1531 14.1531 14.5294 14.5294 15.3314 15.3314 k = 0.2916 0.7248 0.2618 ( 2762 PWs) bands (ev): -22.6282 -22.6282 -22.3840 -22.3840 -22.3276 -22.3276 -22.2649 -22.2649 -7.0566 -7.0566 -6.4472 -6.4472 -6.1656 -6.1656 -6.0115 -6.0115 -4.8704 -4.8704 -4.5250 -4.5250 -4.3400 -4.3400 -4.2231 -4.2231 -3.8973 -3.8973 -3.2434 -3.2434 -2.9888 -2.9888 -2.7770 -2.7770 12.4533 12.4533 12.5758 12.5758 12.8215 12.8215 13.2757 13.2757 14.0075 14.0075 14.1023 14.1023 14.5704 14.5704 15.3623 15.3623 k = 0.2893 0.7191 0.2772 ( 2762 PWs) bands (ev): -22.6262 -22.6262 -22.3922 -22.3922 -22.3242 -22.3242 -22.2614 -22.2614 -7.0510 -7.0510 -6.4697 -6.4697 -6.1765 -6.1765 -6.0257 -6.0257 -4.8466 -4.8466 -4.5125 -4.5125 -4.3298 -4.3298 -4.2346 -4.2346 -3.8779 -3.8779 -3.2430 -3.2430 -2.9952 -2.9952 -2.7863 -2.7863 12.4470 12.4470 12.5360 12.5360 12.8108 12.8108 13.3462 13.3462 14.0379 14.0379 14.0716 14.0716 14.6131 14.6131 15.3938 15.3938 k = 0.2870 0.7133 0.2926 ( 2762 PWs) bands (ev): -22.6237 -22.6237 -22.4004 -22.4004 -22.3207 -22.3207 -22.2582 -22.2582 -7.0436 -7.0436 -6.4916 -6.4916 -6.1871 -6.1871 -6.0413 -6.0413 -4.8224 -4.8224 -4.5005 -4.5005 -4.3201 -4.3201 -4.2458 -4.2458 -3.8579 -3.8579 -3.2439 -3.2439 -3.0011 -3.0011 -2.7962 -2.7962 12.4385 12.4385 12.4979 12.4979 12.8027 12.8027 13.4058 13.4058 14.0193 14.0193 14.1067 14.1067 14.6567 14.6567 15.4255 15.4255 k = 0.2847 0.7076 0.3080 ( 2758 PWs) bands (ev): -22.6208 -22.6208 -22.4086 -22.4086 -22.3173 -22.3173 -22.2556 -22.2556 -7.0344 -7.0344 -6.5130 -6.5130 -6.1974 -6.1974 -6.0582 -6.0582 -4.7979 -4.7979 -4.4889 -4.4889 -4.3115 -4.3115 -4.2559 -4.2559 -3.8377 -3.8377 -3.2468 -3.2468 -3.0060 -3.0060 -2.8064 -2.8064 12.4276 12.4276 12.4627 12.4627 12.7973 12.7973 13.4454 13.4454 14.0139 14.0139 14.1553 14.1553 14.7005 14.7005 15.4574 15.4574 k = 0.2824 0.7018 0.3234 ( 2760 PWs) bands (ev): -22.6175 -22.6175 -22.4168 -22.4168 -22.3138 -22.3138 -22.2535 -22.2535 -7.0233 -7.0233 -6.5339 -6.5339 -6.2073 -6.2073 -6.0763 -6.0763 -4.7732 -4.7732 -4.4778 -4.4778 -4.3059 -4.3059 -4.2633 -4.2633 -3.8171 -3.8171 -3.2519 -3.2519 -3.0098 -3.0098 -2.8169 -2.8169 12.4111 12.4111 12.4342 12.4342 12.7945 12.7945 13.4577 13.4577 14.0392 14.0392 14.2073 14.2073 14.7440 14.7440 15.4893 15.4893 k = 0.2801 0.6961 0.3388 ( 2756 PWs) bands (ev): -22.6138 -22.6138 -22.4249 -22.4249 -22.3103 -22.3103 -22.2520 -22.2520 -7.0105 -7.0105 -6.5541 -6.5541 -6.2168 -6.2168 -6.0953 -6.0953 -4.7486 -4.7486 -4.4670 -4.4670 -4.3061 -4.3061 -4.2652 -4.2652 -3.7963 -3.7963 -3.2596 -3.2596 -3.0120 -3.0120 -2.8273 -2.8273 12.3852 12.3852 12.4168 12.4168 12.7940 12.7940 13.4436 13.4436 14.0954 14.0954 14.2621 14.2621 14.7863 14.7863 15.5208 15.5208 k = 0.2777 0.6903 0.3542 ( 2757 PWs) bands (ev): -22.6096 -22.6096 -22.4330 -22.4330 -22.3069 -22.3069 -22.2510 -22.2510 -6.9960 -6.9960 -6.5737 -6.5737 -6.2261 -6.2261 -6.1150 -6.1150 -4.7240 -4.7240 -4.4568 -4.4568 -4.3122 -4.3122 -4.2616 -4.2616 -3.7754 -3.7754 -3.2701 -3.2701 -3.0126 -3.0126 -2.8377 -2.8377 12.3567 12.3567 12.4041 12.4041 12.7956 12.7956 13.4108 13.4108 14.1748 14.1748 14.3196 14.3196 14.8270 14.8270 15.5516 15.5516 k = 0.2754 0.6846 0.3696 ( 2750 PWs) bands (ev): -22.6051 -22.6051 -22.4410 -22.4410 -22.3034 -22.3034 -22.2505 -22.2505 -6.9797 -6.9797 -6.5926 -6.5926 -6.2350 -6.2350 -6.1353 -6.1353 -4.6996 -4.6996 -4.4472 -4.4472 -4.3211 -4.3211 -4.2554 -4.2554 -3.7544 -3.7544 -3.2834 -3.2834 -3.0115 -3.0115 -2.8479 -2.8479 12.3298 12.3298 12.3923 12.3923 12.7993 12.7993 13.3676 13.3676 14.2692 14.2692 14.3799 14.3799 14.8656 14.8656 15.5812 15.5812 k = 0.2731 0.6789 0.3850 ( 2755 PWs) bands (ev): -22.6001 -22.6001 -22.4490 -22.4490 -22.2999 -22.2999 -22.2506 -22.2506 -6.9619 -6.9619 -6.6108 -6.6108 -6.2436 -6.2436 -6.1558 -6.1558 -4.6755 -4.6755 -4.4386 -4.4386 -4.3305 -4.3305 -4.2489 -4.2489 -3.7334 -3.7334 -3.2996 -3.2996 -3.0087 -3.0087 -2.8578 -2.8578 12.3054 12.3054 12.3808 12.3808 12.8048 12.8048 13.3197 13.3197 14.3718 14.3718 14.4435 14.4435 14.9015 14.9015 15.6086 15.6086 k = 0.2708 0.6731 0.4004 ( 2754 PWs) bands (ev): -22.5947 -22.5947 -22.4568 -22.4568 -22.2964 -22.2964 -22.2512 -22.2512 -6.9425 -6.9425 -6.6284 -6.6284 -6.2519 -6.2519 -6.1763 -6.1763 -4.6519 -4.6519 -4.4315 -4.4315 -4.3389 -4.3389 -4.2430 -4.2430 -3.7123 -3.7123 -3.3183 -3.3183 -3.0044 -3.0044 -2.8673 -2.8673 12.2840 12.2840 12.3692 12.3692 12.8120 12.8120 13.2706 13.2706 14.4734 14.4734 14.5158 14.5158 14.9342 14.9342 15.6320 15.6320 k = 0.2685 0.6674 0.4158 ( 2754 PWs) bands (ev): -22.5890 -22.5890 -22.4646 -22.4646 -22.2930 -22.2930 -22.2524 -22.2524 -6.9219 -6.9219 -6.6452 -6.6452 -6.2600 -6.2600 -6.1965 -6.1965 -4.6290 -4.6290 -4.4270 -4.4270 -4.3448 -4.3448 -4.2383 -4.2383 -3.6912 -3.6912 -3.3391 -3.3391 -2.9989 -2.9989 -2.8763 -2.8763 12.2658 12.2658 12.3575 12.3575 12.8207 12.8207 13.2224 13.2224 14.5555 14.5555 14.6125 14.6125 14.9635 14.9635 15.6456 15.6456 k = 0.2662 0.6616 0.4312 ( 2760 PWs) bands (ev): -22.5828 -22.5828 -22.4724 -22.4724 -22.2895 -22.2895 -22.2540 -22.2540 -6.9003 -6.9003 -6.6614 -6.6614 -6.2680 -6.2680 -6.2158 -6.2158 -4.6068 -4.6068 -4.4261 -4.4261 -4.3469 -4.3469 -4.2352 -4.2352 -3.6702 -3.6702 -3.3616 -3.3616 -2.9924 -2.9924 -2.8850 -2.8850 12.2510 12.2510 12.3456 12.3456 12.8309 12.8309 13.1765 13.1765 14.6247 14.6247 14.7245 14.7245 14.9889 14.9889 15.6300 15.6300 k = 0.2639 0.6559 0.4466 ( 2760 PWs) bands (ev): -22.5763 -22.5763 -22.4801 -22.4801 -22.2860 -22.2860 -22.2560 -22.2560 -6.8780 -6.8780 -6.6769 -6.6769 -6.2760 -6.2760 -6.2337 -6.2337 -4.5855 -4.5855 -4.4293 -4.4293 -4.3444 -4.3444 -4.2341 -4.2341 -3.6492 -3.6492 -3.3854 -3.3854 -2.9852 -2.9852 -2.8933 -2.8933 12.2396 12.2396 12.3334 12.3334 12.8425 12.8425 13.1336 13.1336 14.6914 14.6914 14.8390 14.8390 15.0105 15.0105 15.5927 15.5927 k = 0.2616 0.6501 0.4620 ( 2757 PWs) bands (ev): -22.5695 -22.5695 -22.4878 -22.4878 -22.2825 -22.2825 -22.2584 -22.2584 -6.8553 -6.8553 -6.6917 -6.6917 -6.2839 -6.2839 -6.2498 -6.2498 -4.5652 -4.5652 -4.4359 -4.4359 -4.3380 -4.3380 -4.2351 -4.2351 -3.6282 -3.6282 -3.4099 -3.4099 -2.9776 -2.9776 -2.9012 -2.9012 12.2319 12.2319 12.3208 12.3208 12.8555 12.8555 13.0943 13.0943 14.7567 14.7567 14.9508 14.9508 15.0296 15.0296 15.5504 15.5504 k = 0.2592 0.6444 0.4774 ( 2759 PWs) bands (ev): -22.5624 -22.5624 -22.4956 -22.4956 -22.2791 -22.2791 -22.2612 -22.2612 -6.8330 -6.8330 -6.7058 -6.7058 -6.2917 -6.2917 -6.2635 -6.2635 -4.5462 -4.5462 -4.4447 -4.4447 -4.3288 -4.3288 -4.2385 -4.2385 -3.6074 -3.6074 -3.4346 -3.4346 -2.9697 -2.9697 -2.9088 -2.9088 12.2280 12.2280 12.3079 12.3079 12.8701 12.8701 13.0585 13.0585 14.8200 14.8200 15.0261 15.0261 15.0773 15.0773 15.5071 15.5071 k = 0.2569 0.6386 0.4928 ( 2761 PWs) bands (ev): -22.5550 -22.5550 -22.5033 -22.5033 -22.2756 -22.2756 -22.2642 -22.2642 -6.8115 -6.8115 -6.7194 -6.7194 -6.2988 -6.2988 -6.2747 -6.2747 -4.5286 -4.5286 -4.4547 -4.4547 -4.3176 -4.3176 -4.2446 -4.2446 -3.5866 -3.5866 -3.4590 -3.4590 -2.9618 -2.9618 -2.9160 -2.9160 12.2278 12.2278 12.2945 12.2945 12.8862 12.8862 13.0262 13.0262 14.8799 14.8799 15.0379 15.0379 15.1774 15.1774 15.4654 15.4654 k = 0.2546 0.6329 0.5082 ( 2759 PWs) bands (ev): -22.5475 -22.5475 -22.5111 -22.5111 -22.2721 -22.2721 -22.2675 -22.2675 -6.7916 -6.7916 -6.7325 -6.7325 -6.3039 -6.3039 -6.2837 -6.2837 -4.5126 -4.5126 -4.4653 -4.4653 -4.3050 -4.3050 -4.2534 -4.2534 -3.5660 -3.5660 -3.4827 -3.4827 -2.9541 -2.9541 -2.9230 -2.9230 12.2316 12.2316 12.2809 12.2809 12.9041 12.9041 12.9971 12.9971 14.9340 14.9340 15.0379 15.0379 15.2727 15.2727 15.4284 15.4284 k = 0.2523 0.6271 0.5236 ( 2757 PWs) bands (ev): -22.5399 -22.5399 -22.5187 -22.5187 -22.2709 -22.2709 -22.2687 -22.2687 -6.7743 -6.7743 -6.7451 -6.7451 -6.3055 -6.3055 -6.2912 -6.2912 -4.4985 -4.4985 -4.4759 -4.4759 -4.2913 -4.2913 -4.2648 -4.2648 -3.5455 -3.5455 -3.5052 -3.5052 -2.9468 -2.9468 -2.9297 -2.9297 12.2392 12.2392 12.2671 12.2671 12.9239 12.9239 12.9708 12.9708 14.9790 14.9790 15.0291 15.0291 15.3481 15.3481 15.4008 15.4008 k = 0.2500 0.6214 0.5390 ( 2756 PWs) bands (ev): -22.5335 -22.5335 -22.5250 -22.5250 -22.2743 -22.2743 -22.2652 -22.2652 -6.7616 -6.7616 -6.7561 -6.7561 -6.3025 -6.3025 -6.2974 -6.2974 -4.4888 -4.4888 -4.4844 -4.4844 -4.2789 -4.2789 -4.2766 -4.2766 -3.5282 -3.5282 -3.5233 -3.5233 -2.9409 -2.9409 -2.9354 -2.9354 12.2509 12.2509 12.2533 12.2533 12.9442 12.9442 12.9485 12.9485 15.0075 15.0075 15.0138 15.0138 15.3812 15.3812 15.3879 15.3879 k = 0.2500 0.6214 0.5390 ( 2756 PWs) bands (ev): -22.5335 -22.5335 -22.5250 -22.5250 -22.2743 -22.2743 -22.2652 -22.2652 -6.7616 -6.7616 -6.7561 -6.7561 -6.3025 -6.3025 -6.2974 -6.2974 -4.4888 -4.4888 -4.4844 -4.4844 -4.2789 -4.2789 -4.2766 -4.2766 -3.5282 -3.5282 -3.5233 -3.5233 -2.9409 -2.9409 -2.9354 -2.9354 12.2509 12.2509 12.2533 12.2533 12.9442 12.9442 12.9485 12.9485 15.0075 15.0075 15.0138 15.0138 15.3812 15.3812 15.3879 15.3879 k = 0.2391 0.6257 0.5272 ( 2756 PWs) bands (ev): -22.5335 -22.5335 -22.5250 -22.5250 -22.2743 -22.2743 -22.2652 -22.2652 -6.7636 -6.7636 -6.7565 -6.7565 -6.3028 -6.3028 -6.2936 -6.2936 -4.4895 -4.4895 -4.4850 -4.4850 -4.2875 -4.2875 -4.2690 -4.2690 -3.5376 -3.5376 -3.5129 -3.5129 -2.9440 -2.9440 -2.9323 -2.9323 12.2518 12.2518 12.2546 12.2546 12.9457 12.9457 12.9501 12.9501 14.9961 14.9961 15.0091 15.0091 15.3685 15.3685 15.3800 15.3800 k = 0.2283 0.6301 0.5155 ( 2758 PWs) bands (ev): -22.5336 -22.5336 -22.5251 -22.5251 -22.2743 -22.2743 -22.2652 -22.2652 -6.7686 -6.7686 -6.7584 -6.7584 -6.3010 -6.3010 -6.2852 -6.2852 -4.4914 -4.4914 -4.4866 -4.4866 -4.2976 -4.2976 -4.2616 -4.2616 -3.5478 -3.5478 -3.4997 -3.4997 -2.9487 -2.9487 -2.9276 -2.9276 12.2546 12.2546 12.2583 12.2583 12.9504 12.9504 12.9550 12.9550 14.9680 14.9680 14.9902 14.9902 15.3391 15.3391 15.3566 15.3566 k = 0.2174 0.6345 0.5038 ( 2758 PWs) bands (ev): -22.5336 -22.5336 -22.5251 -22.5251 -22.2742 -22.2742 -22.2651 -22.2651 -6.7758 -6.7758 -6.7622 -6.7622 -6.2960 -6.2960 -6.2736 -6.2736 -4.4945 -4.4945 -4.4896 -4.4896 -4.3079 -4.3079 -4.2558 -4.2558 -3.5565 -3.5565 -3.4860 -3.4860 -2.9535 -2.9535 -2.9228 -2.9228 12.2594 12.2594 12.2642 12.2642 12.9581 12.9581 12.9630 12.9630 14.9272 14.9272 14.9566 14.9566 15.3020 15.3020 15.3231 15.3231 k = 0.2065 0.6389 0.4921 ( 2758 PWs) bands (ev): -22.5337 -22.5337 -22.5251 -22.5251 -22.2742 -22.2742 -22.2651 -22.2651 -6.7846 -6.7846 -6.7682 -6.7682 -6.2879 -6.2879 -6.2595 -6.2595 -4.4987 -4.4987 -4.4940 -4.4940 -4.3179 -4.3179 -4.2516 -4.2516 -3.5634 -3.5634 -3.4721 -3.4721 -2.9580 -2.9580 -2.9182 -2.9182 12.2663 12.2663 12.2723 12.2723 12.9688 12.9688 12.9742 12.9742 14.8767 14.8767 14.9106 14.9106 15.2611 15.2611 15.2836 15.2836 k = 0.1957 0.6432 0.4804 ( 2758 PWs) bands (ev): -22.5337 -22.5337 -22.5252 -22.5252 -22.2741 -22.2741 -22.2650 -22.2650 -6.7945 -6.7945 -6.7759 -6.7759 -6.2768 -6.2768 -6.2433 -6.2433 -4.5041 -4.5041 -4.5000 -4.5000 -4.3272 -4.3272 -4.2493 -4.2493 -3.5684 -3.5684 -3.4585 -3.4585 -2.9622 -2.9622 -2.9139 -2.9139 12.2752 12.2752 12.2824 12.2824 12.9825 12.9825 12.9884 12.9884 14.8187 14.8187 14.8551 14.8551 15.2175 15.2175 15.2398 15.2398 k = 0.1848 0.6476 0.4687 ( 2754 PWs) bands (ev): -22.5338 -22.5338 -22.5253 -22.5253 -22.2740 -22.2740 -22.2650 -22.2650 -6.8053 -6.8053 -6.7850 -6.7850 -6.2633 -6.2633 -6.2255 -6.2255 -4.5111 -4.5111 -4.5071 -4.5071 -4.3355 -4.3355 -4.2489 -4.2489 -3.5714 -3.5714 -3.4453 -3.4453 -2.9660 -2.9660 -2.9098 -2.9098 12.2862 12.2862 12.2946 12.2946 12.9992 12.9992 13.0055 13.0055 14.7556 14.7556 14.7929 14.7929 15.1712 15.1712 15.1923 15.1923 k = 0.1739 0.6520 0.4569 ( 2756 PWs) bands (ev): -22.5339 -22.5339 -22.5254 -22.5254 -22.2740 -22.2740 -22.2649 -22.2649 -6.8166 -6.8166 -6.7952 -6.7952 -6.2477 -6.2477 -6.2064 -6.2064 -4.5203 -4.5203 -4.5146 -4.5146 -4.3427 -4.3427 -4.2502 -4.2502 -3.5723 -3.5723 -3.4329 -3.4329 -2.9692 -2.9692 -2.9062 -2.9062 12.2992 12.2992 12.3086 12.3086 13.0186 13.0186 13.0253 13.0253 14.6891 14.6891 14.7263 14.7263 15.1221 15.1221 15.1417 15.1417 k = 0.1630 0.6564 0.4452 ( 2754 PWs) bands (ev): -22.5339 -22.5339 -22.5255 -22.5255 -22.2738 -22.2738 -22.2648 -22.2648 -6.8281 -6.8281 -6.8062 -6.8062 -6.2304 -6.2304 -6.1865 -6.1865 -4.5315 -4.5315 -4.5225 -4.5225 -4.3485 -4.3485 -4.2532 -4.2532 -3.5712 -3.5712 -3.4214 -3.4214 -2.9717 -2.9717 -2.9030 -2.9030 12.3141 12.3141 12.3244 12.3244 13.0407 13.0407 13.0478 13.0478 14.6205 14.6205 14.6571 14.6571 15.0702 15.0702 15.0881 15.0881 k = 0.1522 0.6607 0.4335 ( 2752 PWs) bands (ev): -22.5340 -22.5340 -22.5256 -22.5256 -22.2737 -22.2737 -22.2647 -22.2647 -6.8395 -6.8395 -6.8176 -6.8176 -6.2118 -6.2118 -6.1661 -6.1661 -4.5442 -4.5442 -4.5311 -4.5311 -4.3531 -4.3531 -4.2577 -4.2577 -3.5681 -3.5681 -3.4112 -3.4112 -2.9734 -2.9734 -2.9003 -2.9003 12.3307 12.3307 12.3418 12.3418 13.0652 13.0652 13.0726 13.0726 14.5510 14.5510 14.5867 14.5867 15.0158 15.0158 15.0322 15.0322 k = 0.1413 0.6651 0.4218 ( 2752 PWs) bands (ev): -22.5341 -22.5341 -22.5257 -22.5257 -22.2736 -22.2736 -22.2646 -22.2646 -6.8507 -6.8507 -6.8292 -6.8292 -6.1924 -6.1924 -6.1456 -6.1456 -4.5579 -4.5579 -4.5404 -4.5404 -4.3566 -4.3566 -4.2633 -4.2633 -3.5633 -3.5633 -3.4023 -3.4023 -2.9743 -2.9743 -2.8981 -2.8981 12.3490 12.3490 12.3607 12.3607 13.0920 13.0920 13.0996 13.0996 14.4817 14.4817 14.5162 14.5162 14.9593 14.9593 14.9744 14.9744 k = 0.1304 0.6695 0.4101 ( 2746 PWs) bands (ev): -22.5342 -22.5342 -22.5258 -22.5258 -22.2735 -22.2735 -22.2645 -22.2645 -6.8615 -6.8615 -6.8407 -6.8407 -6.1724 -6.1724 -6.1252 -6.1252 -4.5722 -4.5722 -4.5505 -4.5505 -4.3591 -4.3591 -4.2698 -4.2698 -3.5569 -3.5569 -3.3950 -3.3950 -2.9742 -2.9742 -2.8964 -2.8964 12.3686 12.3686 12.3809 12.3809 13.1208 13.1208 13.1285 13.1285 14.4132 14.4132 14.4464 14.4464 14.9013 14.9013 14.9152 14.9152 k = 0.1196 0.6739 0.3984 ( 2744 PWs) bands (ev): -22.5343 -22.5343 -22.5259 -22.5259 -22.2734 -22.2734 -22.2643 -22.2643 -6.8718 -6.8718 -6.8520 -6.8520 -6.1522 -6.1522 -6.1054 -6.1054 -4.5867 -4.5867 -4.5612 -4.5612 -4.3608 -4.3608 -4.2769 -4.2769 -3.5492 -3.5492 -3.3894 -3.3894 -2.9733 -2.9733 -2.8953 -2.8953 12.3895 12.3895 12.4022 12.4022 13.1512 13.1512 13.1590 13.1590 14.3465 14.3465 14.3783 14.3783 14.8424 14.8424 14.8553 14.8553 k = 0.1087 0.6782 0.3866 ( 2748 PWs) bands (ev): -22.5344 -22.5344 -22.5260 -22.5260 -22.2733 -22.2733 -22.2642 -22.2642 -6.8814 -6.8814 -6.8628 -6.8628 -6.1320 -6.1320 -6.0864 -6.0864 -4.6010 -4.6010 -4.5725 -4.5725 -4.3618 -4.3618 -4.2844 -4.2844 -3.5403 -3.5403 -3.3855 -3.3855 -2.9714 -2.9714 -2.8948 -2.8948 12.4114 12.4114 12.4241 12.4241 13.1829 13.1829 13.1906 13.1906 14.2823 14.2823 14.3126 14.3126 14.7833 14.7833 14.7954 14.7954 k = 0.0978 0.6826 0.3749 ( 2752 PWs) bands (ev): -22.5345 -22.5345 -22.5261 -22.5261 -22.2732 -22.2732 -22.2641 -22.2641 -6.8902 -6.8902 -6.8730 -6.8730 -6.1123 -6.1123 -6.0685 -6.0685 -4.6146 -4.6146 -4.5841 -4.5841 -4.3621 -4.3621 -4.2920 -4.2920 -3.5305 -3.5305 -3.3834 -3.3834 -2.9686 -2.9686 -2.8949 -2.8949 12.4338 12.4338 12.4465 12.4465 13.2155 13.2155 13.2229 13.2229 14.2213 14.2213 14.2499 14.2499 14.7247 14.7247 14.7360 14.7360 k = 0.0870 0.6870 0.3632 ( 2754 PWs) bands (ev): -22.5346 -22.5346 -22.5262 -22.5262 -22.2731 -22.2731 -22.2640 -22.2640 -6.8982 -6.8982 -6.8825 -6.8825 -6.0933 -6.0933 -6.0520 -6.0520 -4.6273 -4.6273 -4.5960 -4.5960 -4.3619 -4.3619 -4.2994 -4.2994 -3.5199 -3.5199 -3.3829 -3.3829 -2.9650 -2.9650 -2.8957 -2.8957 12.4564 12.4564 12.4688 12.4688 13.2483 13.2483 13.2554 13.2554 14.1643 14.1643 14.1912 14.1912 14.6674 14.6674 14.6781 14.6781 k = 0.0761 0.6913 0.3515 ( 2754 PWs) bands (ev): -22.5347 -22.5347 -22.5263 -22.5263 -22.2730 -22.2730 -22.2639 -22.2639 -6.9052 -6.9052 -6.8912 -6.8912 -6.0752 -6.0752 -6.0371 -6.0371 -4.6388 -4.6388 -4.6079 -4.6079 -4.3613 -4.3613 -4.3067 -4.3067 -3.5088 -3.5088 -3.3842 -3.3842 -2.9608 -2.9608 -2.8970 -2.8970 12.4787 12.4787 12.4905 12.4905 13.2806 13.2806 13.2873 13.2873 14.1122 14.1122 14.1370 14.1370 14.6124 14.6124 14.6224 14.6224 k = 0.0652 0.6957 0.3398 ( 2752 PWs) bands (ev): -22.5348 -22.5348 -22.5264 -22.5264 -22.2729 -22.2729 -22.2638 -22.2638 -6.9113 -6.9113 -6.8990 -6.8990 -6.0584 -6.0584 -6.0242 -6.0242 -4.6488 -4.6488 -4.6194 -4.6194 -4.3602 -4.3602 -4.3135 -4.3135 -3.4974 -3.4974 -3.3870 -3.3870 -2.9559 -2.9559 -2.8990 -2.8990 12.5002 12.5002 12.5111 12.5111 13.3117 13.3117 13.3178 13.3178 14.0657 14.0657 14.0883 14.0883 14.5607 14.5607 14.5699 14.5699 k = 0.0543 0.7001 0.3281 ( 2750 PWs) bands (ev): -22.5349 -22.5349 -22.5264 -22.5264 -22.2728 -22.2728 -22.2638 -22.2638 -6.9164 -6.9164 -6.9059 -6.9059 -6.0430 -6.0430 -6.0134 -6.0134 -4.6570 -4.6570 -4.6305 -4.6305 -4.3587 -4.3587 -4.3200 -4.3200 -3.4858 -3.4858 -3.3913 -3.3913 -2.9506 -2.9506 -2.9016 -2.9016 12.5203 12.5203 12.5300 12.5300 13.3407 13.3407 13.3460 13.3460 14.0257 14.0257 14.0456 14.0456 14.5133 14.5133 14.5216 14.5216 k = 0.0435 0.7045 0.3163 ( 2754 PWs) bands (ev): -22.5349 -22.5349 -22.5265 -22.5265 -22.2727 -22.2727 -22.2637 -22.2637 -6.9205 -6.9205 -6.9117 -6.9117 -6.0294 -6.0294 -6.0049 -6.0049 -4.6633 -4.6633 -4.6406 -4.6406 -4.3568 -4.3568 -4.3260 -4.3260 -3.4741 -3.4741 -3.3970 -3.3970 -2.9451 -2.9451 -2.9048 -2.9048 12.5382 12.5382 12.5465 12.5465 13.3663 13.3663 13.3709 13.3709 13.9928 13.9928 14.0097 14.0097 14.4718 14.4718 14.4789 14.4789 k = 0.0326 0.7088 0.3046 ( 2760 PWs) bands (ev): -22.5350 -22.5350 -22.5265 -22.5265 -22.2727 -22.2727 -22.2637 -22.2637 -6.9234 -6.9234 -6.9165 -6.9165 -6.0178 -6.0178 -5.9989 -5.9989 -4.6676 -4.6676 -4.6497 -4.6497 -4.3545 -4.3545 -4.3314 -4.3314 -3.4626 -3.4626 -3.4038 -3.4038 -2.9394 -2.9394 -2.9085 -2.9085 12.5534 12.5534 12.5599 12.5599 13.3877 13.3877 13.3915 13.3915 13.9677 13.9677 13.9810 13.9810 14.4374 14.4374 14.4432 14.4432 k = 0.0217 0.7132 0.2929 ( 2760 PWs) bands (ev): -22.5350 -22.5350 -22.5266 -22.5266 -22.2726 -22.2726 -22.2636 -22.2636 -6.9254 -6.9254 -6.9201 -6.9201 -6.0084 -6.0084 -5.9955 -5.9955 -4.6697 -4.6697 -4.6573 -4.6573 -4.3518 -4.3518 -4.3364 -4.3364 -3.4514 -3.4514 -3.4117 -3.4117 -2.9337 -2.9337 -2.9127 -2.9127 12.5651 12.5651 12.5696 12.5696 13.4038 13.4038 13.4068 13.4068 13.9506 13.9506 13.9599 13.9599 14.4118 14.4118 14.4159 14.4159 k = 0.0109 0.7176 0.2812 ( 2758 PWs) bands (ev): -22.5350 -22.5350 -22.5266 -22.5266 -22.2726 -22.2726 -22.2636 -22.2636 -6.9264 -6.9264 -6.9224 -6.9224 -6.0013 -6.0013 -5.9948 -5.9948 -4.6697 -4.6697 -4.6633 -4.6633 -4.3488 -4.3488 -4.3408 -4.3408 -3.4406 -3.4406 -3.4205 -3.4205 -2.9281 -2.9281 -2.9174 -2.9174 12.5729 12.5729 12.5752 12.5752 13.4138 13.4138 13.4162 13.4162 13.9414 13.9414 13.9463 13.9463 14.3962 14.3962 14.3983 14.3983 k = 0.0000 0.7220 0.2695 ( 2760 PWs) bands (ev): -22.5350 -22.5350 -22.5266 -22.5266 -22.2726 -22.2726 -22.2636 -22.2636 -6.9267 -6.9267 -6.9233 -6.9233 -5.9973 -5.9973 -5.9962 -5.9962 -4.6679 -4.6679 -4.6671 -4.6671 -4.3462 -4.3462 -4.3437 -4.3437 -3.4314 -3.4314 -3.4290 -3.4290 -2.9237 -2.9237 -2.9214 -2.9214 12.5760 12.5760 12.5766 12.5766 13.4172 13.4172 13.4194 13.4194 13.9393 13.9393 13.9408 13.9408 14.3915 14.3915 14.3917 14.3917 k = 0.0000 0.7220 0.2695 ( 2760 PWs) bands (ev): -22.5350 -22.5350 -22.5266 -22.5266 -22.2726 -22.2726 -22.2636 -22.2636 -6.9267 -6.9267 -6.9233 -6.9233 -5.9973 -5.9973 -5.9962 -5.9962 -4.6679 -4.6679 -4.6671 -4.6671 -4.3462 -4.3462 -4.3437 -4.3437 -3.4314 -3.4314 -3.4290 -3.4290 -2.9237 -2.9237 -2.9214 -2.9214 12.5760 12.5760 12.5766 12.5766 13.4172 13.4172 13.4194 13.4194 13.9393 13.9393 13.9408 13.9408 14.3915 14.3915 14.3917 14.3917 k =-0.0127 0.7181 0.2798 ( 2755 PWs) bands (ev): -22.5400 -22.5400 -22.5212 -22.5212 -22.2729 -22.2729 -22.2638 -22.2638 -6.9502 -6.9502 -6.8979 -6.8979 -6.0040 -6.0040 -5.9894 -5.9894 -4.6888 -4.6888 -4.6468 -4.6468 -4.3593 -4.3593 -4.3308 -4.3308 -3.4616 -3.4616 -3.4011 -3.4011 -2.9326 -2.9326 -2.9113 -2.9113 12.5750 12.5750 12.5797 12.5797 13.3593 13.3593 13.4748 13.4748 13.9280 13.9280 13.9526 13.9526 14.3023 14.3023 14.4874 14.4874 k =-0.0255 0.7142 0.2902 ( 2757 PWs) bands (ev): -22.5474 -22.5474 -22.5126 -22.5126 -22.2737 -22.2737 -22.2644 -22.2644 -6.9734 -6.9734 -6.8691 -6.8691 -6.0112 -6.0112 -5.9822 -5.9822 -4.7105 -4.7105 -4.6270 -4.6270 -4.3734 -4.3734 -4.3169 -4.3169 -3.4949 -3.4949 -3.3745 -3.3745 -2.9411 -2.9411 -2.8990 -2.8990 12.5756 12.5756 12.5852 12.5852 13.3002 13.3002 13.5250 13.5250 13.9164 13.9164 13.9656 13.9656 14.2233 14.2233 14.5870 14.5870 k =-0.0382 0.7104 0.3006 ( 2751 PWs) bands (ev): -22.5546 -22.5546 -22.5034 -22.5034 -22.2751 -22.2751 -22.2653 -22.2653 -6.9946 -6.9946 -6.8385 -6.8385 -6.0182 -6.0182 -5.9752 -5.9752 -4.7326 -4.7326 -4.6081 -4.6081 -4.3873 -4.3873 -4.3032 -4.3032 -3.5299 -3.5299 -3.3506 -3.3506 -2.9483 -2.9483 -2.8859 -2.8859 12.5780 12.5780 12.5929 12.5929 13.2424 13.2424 13.5625 13.5625 13.9052 13.9052 13.9797 13.9797 14.1605 14.1605 14.6887 14.6887 k =-0.0509 0.7065 0.3109 ( 2751 PWs) bands (ev): -22.5614 -22.5614 -22.4936 -22.4936 -22.2769 -22.2769 -22.2667 -22.2667 -7.0137 -7.0137 -6.8064 -6.8064 -6.0249 -6.0249 -5.9684 -5.9684 -4.7550 -4.7550 -4.5906 -4.5906 -4.4008 -4.4008 -4.2898 -4.2898 -3.5663 -3.5663 -3.3295 -3.3295 -2.9539 -2.9539 -2.8720 -2.8720 12.5820 12.5820 12.6028 12.6028 13.1868 13.1868 13.5787 13.5787 13.8942 13.8942 13.9968 13.9968 14.1207 14.1207 14.7912 14.7912 k =-0.0636 0.7026 0.3213 ( 2749 PWs) bands (ev): -22.5679 -22.5679 -22.4835 -22.4835 -22.2792 -22.2792 -22.2686 -22.2686 -7.0308 -7.0308 -6.7728 -6.7728 -6.0312 -6.0312 -5.9620 -5.9620 -4.7775 -4.7775 -4.5749 -4.5749 -4.4134 -4.4134 -4.2768 -4.2768 -3.6037 -3.6037 -3.3113 -3.3113 -2.9579 -2.9579 -2.8576 -2.8576 12.5872 12.5872 12.6148 12.6148 13.1341 13.1341 13.5669 13.5669 13.8834 13.8834 14.0199 14.0199 14.1072 14.1072 14.8931 14.8931 k =-0.0764 0.6987 0.3317 ( 2751 PWs) bands (ev): -22.5739 -22.5739 -22.4731 -22.4731 -22.2819 -22.2819 -22.2709 -22.2709 -7.0457 -7.0457 -6.7377 -6.7377 -6.0371 -6.0371 -5.9560 -5.9560 -4.8000 -4.8000 -4.5616 -4.5616 -4.4245 -4.4245 -4.2641 -4.2641 -3.6417 -3.6417 -3.2958 -3.2958 -2.9605 -2.9605 -2.8431 -2.8431 12.5932 12.5932 12.6289 12.6289 13.0849 13.0849 13.5290 13.5290 13.8729 13.8729 14.0476 14.0476 14.1190 14.1190 14.9932 14.9932 k =-0.0891 0.6949 0.3420 ( 2751 PWs) bands (ev): -22.5795 -22.5795 -22.4624 -22.4624 -22.2850 -22.2850 -22.2736 -22.2736 -7.0585 -7.0585 -6.7015 -6.7015 -6.0424 -6.0424 -5.9506 -5.9506 -4.8225 -4.8225 -4.5517 -4.5517 -4.4333 -4.4333 -4.2519 -4.2519 -3.6800 -3.6800 -3.2831 -3.2831 -2.9615 -2.9615 -2.8286 -2.8286 12.5993 12.5993 12.6450 12.6450 13.0396 13.0396 13.4738 13.4738 13.8625 13.8625 14.0726 14.0726 14.1545 14.1545 15.0901 15.0901 k =-0.1018 0.6910 0.3524 ( 2753 PWs) bands (ev): -22.5847 -22.5847 -22.4514 -22.4514 -22.2883 -22.2883 -22.2769 -22.2769 -7.0692 -7.0692 -6.6642 -6.6642 -6.0472 -6.0472 -5.9459 -5.9459 -4.8449 -4.8449 -4.5462 -4.5462 -4.4388 -4.4388 -4.2399 -4.2399 -3.7182 -3.7182 -3.2730 -3.2730 -2.9612 -2.9612 -2.8145 -2.8145 12.6049 12.6049 12.6629 12.6629 12.9984 12.9984 13.4102 13.4102 13.8518 13.8518 14.0938 14.0938 14.2056 14.2056 15.1821 15.1821 k =-0.1146 0.6871 0.3628 ( 2751 PWs) bands (ev): -22.5894 -22.5894 -22.4401 -22.4401 -22.2919 -22.2919 -22.2806 -22.2806 -7.0777 -7.0777 -6.6259 -6.6259 -6.0513 -6.0513 -5.9420 -5.9420 -4.8671 -4.8671 -4.5460 -4.5460 -4.4403 -4.4403 -4.2284 -4.2284 -3.7559 -3.7559 -3.2652 -3.2652 -2.9597 -2.9597 -2.8010 -2.8010 12.6088 12.6088 12.6825 12.6825 12.9618 12.9618 13.3444 13.3444 13.8404 13.8404 14.1140 14.1140 14.2630 14.2630 15.2670 15.2670 k =-0.1273 0.6833 0.3731 ( 2755 PWs) bands (ev): -22.5938 -22.5938 -22.4287 -22.4287 -22.2958 -22.2958 -22.2847 -22.2847 -7.0840 -7.0840 -6.5870 -6.5870 -6.0546 -6.0546 -5.9389 -5.9389 -4.8890 -4.8890 -4.5507 -4.5507 -4.4384 -4.4384 -4.2171 -4.2171 -3.7927 -3.7927 -3.2596 -3.2596 -2.9572 -2.9572 -2.7884 -2.7884 12.6097 12.6097 12.7033 12.7033 12.9301 12.9301 13.2809 13.2809 13.8281 13.8281 14.1345 14.1345 14.3208 14.3208 15.3415 15.3415 k =-0.1400 0.6794 0.3835 ( 2756 PWs) bands (ev): -22.5977 -22.5977 -22.4173 -22.4173 -22.2997 -22.2997 -22.2893 -22.2893 -7.0882 -7.0882 -6.5475 -6.5475 -6.0571 -6.0571 -5.9368 -5.9368 -4.9105 -4.9105 -4.5589 -4.5589 -4.4343 -4.4343 -4.2061 -4.2061 -3.8283 -3.8283 -3.2558 -3.2558 -2.9538 -2.9538 -2.7768 -2.7768 12.6058 12.6058 12.7247 12.7247 12.9039 12.9039 13.2231 13.2231 13.8145 13.8145 14.1554 14.1554 14.3751 14.3751 15.4016 15.4016 k =-0.1527 0.6755 0.3938 ( 2758 PWs) bands (ev): -22.6013 -22.6013 -22.4059 -22.4059 -22.3038 -22.3038 -22.2940 -22.2940 -7.0904 -7.0904 -6.5077 -6.5077 -6.0587 -6.0587 -5.9358 -5.9358 -4.9315 -4.9315 -4.5695 -4.5695 -4.4294 -4.4294 -4.1953 -4.1953 -3.8624 -3.8624 -3.2536 -3.2536 -2.9499 -2.9499 -2.7666 -2.7666 12.5952 12.5952 12.7455 12.7455 12.8845 12.8845 13.1738 13.1738 13.7990 13.7990 14.1768 14.1768 14.4229 14.4229 15.4419 15.4419 k =-0.1655 0.6717 0.4042 ( 2763 PWs) bands (ev): -22.6046 -22.6046 -22.3948 -22.3948 -22.3080 -22.3080 -22.2989 -22.2989 -7.0904 -7.0904 -6.4678 -6.4678 -6.0593 -6.0593 -5.9359 -5.9359 -4.9520 -4.9520 -4.5814 -4.5814 -4.4249 -4.4249 -4.1846 -4.1846 -3.8947 -3.8947 -3.2528 -3.2528 -2.9455 -2.9455 -2.7577 -2.7577 12.5762 12.5762 12.7636 12.7636 12.8737 12.8737 13.1352 13.1352 13.7813 13.7813 14.1984 14.1984 14.4614 14.4614 15.4584 15.4584 k =-0.1782 0.6678 0.4146 ( 2765 PWs) bands (ev): -22.6075 -22.6075 -22.3843 -22.3843 -22.3124 -22.3124 -22.3032 -22.3032 -7.0885 -7.0885 -6.4282 -6.4282 -6.0588 -6.0588 -5.9373 -5.9373 -4.9717 -4.9717 -4.5940 -4.5940 -4.4213 -4.4213 -4.1741 -4.1741 -3.9248 -3.9248 -3.2531 -3.2531 -2.9411 -2.9411 -2.7504 -2.7504 12.5480 12.5480 12.7757 12.7757 12.8746 12.8746 13.1083 13.1083 13.7609 13.7609 14.2202 14.2202 14.4884 14.4884 15.4518 15.4518 k =-0.1909 0.6639 0.4249 ( 2764 PWs) bands (ev): -22.6102 -22.6102 -22.3749 -22.3749 -22.3174 -22.3174 -22.3061 -22.3061 -7.0847 -7.0847 -6.3890 -6.3890 -6.0573 -6.0573 -5.9399 -5.9399 -4.9907 -4.9907 -4.6067 -4.6067 -4.4189 -4.4189 -4.1637 -4.1637 -3.9525 -3.9525 -3.2544 -3.2544 -2.9366 -2.9366 -2.7447 -2.7447 12.5110 12.5110 12.7811 12.7811 12.8877 12.8877 13.0927 13.0927 13.7375 13.7375 14.2418 14.2418 14.5019 14.5019 15.4284 15.4284 k =-0.2037 0.6601 0.4353 ( 2762 PWs) bands (ev): -22.6126 -22.6126 -22.3675 -22.3675 -22.3232 -22.3232 -22.3065 -22.3065 -7.0790 -7.0790 -6.3507 -6.3507 -6.0548 -6.0548 -5.9437 -5.9437 -5.0088 -5.0088 -4.6194 -4.6194 -4.4180 -4.4180 -4.1534 -4.1534 -3.9777 -3.9777 -3.2565 -3.2565 -2.9325 -2.9325 -2.7406 -2.7406 12.4668 12.4668 12.7830 12.7830 12.9096 12.9096 13.0867 13.0867 13.7109 13.7109 14.2630 14.2630 14.5011 14.5011 15.3955 15.3955 k =-0.2164 0.6562 0.4457 ( 2769 PWs) bands (ev): -22.6149 -22.6149 -22.3630 -22.3630 -22.3296 -22.3296 -22.3036 -22.3036 -7.0716 -7.0716 -6.3135 -6.3135 -6.0513 -6.0513 -5.9485 -5.9485 -5.0259 -5.0259 -4.6317 -4.6317 -4.4185 -4.4185 -4.1436 -4.1436 -4.0002 -4.0002 -3.2593 -3.2593 -2.9287 -2.9287 -2.7381 -2.7381 12.4173 12.4173 12.7849 12.7849 12.9362 12.9362 13.0880 13.0880 13.6808 13.6808 14.2835 14.2835 14.4860 14.4860 15.3586 15.3586 k =-0.2291 0.6523 0.4560 ( 2770 PWs) bands (ev): -22.6171 -22.6171 -22.3616 -22.3616 -22.3364 -22.3364 -22.2974 -22.2974 -7.0624 -7.0624 -6.2777 -6.2777 -6.0472 -6.0472 -5.9540 -5.9540 -5.0419 -5.0419 -4.6435 -4.6435 -4.4200 -4.4200 -4.1346 -4.1346 -4.0196 -4.0196 -3.2628 -3.2628 -2.9255 -2.9255 -2.7371 -2.7371 12.3647 12.3647 12.7889 12.7889 12.9652 12.9652 13.0945 13.0945 13.6473 13.6473 14.3027 14.3027 14.4580 14.4580 15.3209 15.3209 k =-0.2418 0.6485 0.4664 ( 2772 PWs) bands (ev): -22.6192 -22.6192 -22.3627 -22.3627 -22.3433 -22.3433 -22.2884 -22.2884 -7.0518 -7.0518 -6.2436 -6.2436 -6.0431 -6.0431 -5.9594 -5.9594 -5.0567 -5.0567 -4.6547 -4.6547 -4.4223 -4.4223 -4.1272 -4.1272 -4.0353 -4.0353 -3.2668 -3.2668 -2.9230 -2.9230 -2.7376 -2.7376 12.3104 12.3104 12.7956 12.7956 12.9950 12.9950 13.1041 13.1041 13.6105 13.6105 14.3195 14.3195 14.4198 14.4198 15.2839 15.2839 k =-0.2546 0.6446 0.4768 ( 2772 PWs) bands (ev): -22.6214 -22.6214 -22.3656 -22.3656 -22.3503 -22.3503 -22.2777 -22.2777 -7.0397 -7.0397 -6.2115 -6.2115 -6.0405 -6.0405 -5.9635 -5.9635 -5.0703 -5.0703 -4.6650 -4.6650 -4.4250 -4.4250 -4.1230 -4.1230 -4.0462 -4.0462 -3.2714 -3.2714 -2.9214 -2.9214 -2.7395 -2.7395 12.2557 12.2557 12.8054 12.8054 13.0248 13.0248 13.1152 13.1152 13.5709 13.5709 14.3279 14.3279 14.3794 14.3794 15.2482 15.2482 k =-0.2673 0.6407 0.4871 ( 2768 PWs) bands (ev): -22.6237 -22.6237 -22.3695 -22.3695 -22.3570 -22.3570 -22.2659 -22.2659 -7.0263 -7.0263 -6.1816 -6.1816 -6.0411 -6.0411 -5.9642 -5.9642 -5.0824 -5.0824 -4.6745 -4.6745 -4.4274 -4.4274 -4.1237 -4.1237 -4.0508 -4.0508 -3.2766 -3.2766 -2.9209 -2.9209 -2.7425 -2.7425 12.2017 12.2017 12.8183 12.8183 13.0534 13.0534 13.1266 13.1266 13.5290 13.5290 14.2986 14.2986 14.3680 14.3680 15.2134 15.2134 k =-0.2800 0.6368 0.4975 ( 2768 PWs) bands (ev): -22.6263 -22.6263 -22.3741 -22.3741 -22.3635 -22.3635 -22.2534 -22.2534 -7.0118 -7.0118 -6.1542 -6.1542 -6.0463 -6.0463 -5.9603 -5.9603 -5.0931 -5.0931 -4.6832 -4.6832 -4.4292 -4.4292 -4.1297 -4.1297 -4.0491 -4.0491 -3.2824 -3.2824 -2.9214 -2.9214 -2.7466 -2.7466 12.1489 12.1489 12.8339 12.8339 13.0801 13.0801 13.1368 13.1368 13.4858 13.4858 14.2424 14.2424 14.3770 14.3770 15.1787 15.1787 k =-0.2928 0.6330 0.5079 ( 2770 PWs) bands (ev): -22.6294 -22.6294 -22.3791 -22.3791 -22.3695 -22.3695 -22.2405 -22.2405 -6.9962 -6.9962 -6.1298 -6.1298 -6.0551 -6.0551 -5.9520 -5.9520 -5.1023 -5.1023 -4.6911 -4.6911 -4.4297 -4.4297 -4.1394 -4.1394 -4.0429 -4.0429 -3.2887 -3.2887 -2.9232 -2.9232 -2.7514 -2.7514 12.0978 12.0978 12.8521 12.8521 13.1033 13.1033 13.1450 13.1450 13.4425 13.4425 14.1806 14.1806 14.3870 14.3870 15.1434 15.1434 k =-0.3055 0.6291 0.5182 ( 2774 PWs) bands (ev): -22.6329 -22.6329 -22.3843 -22.3843 -22.3750 -22.3750 -22.2275 -22.2275 -6.9799 -6.9799 -6.1118 -6.1118 -6.0630 -6.0630 -5.9408 -5.9408 -5.1101 -5.1101 -4.6983 -4.6983 -4.4284 -4.4284 -4.1513 -4.1513 -4.0342 -4.0342 -3.2958 -3.2958 -2.9264 -2.9264 -2.7569 -2.7569 12.0488 12.0488 12.8722 12.8722 13.1214 13.1214 13.1498 13.1498 13.4013 13.4013 14.1176 14.1176 14.3953 14.3953 15.1064 15.1064 k =-0.3182 0.6252 0.5286 ( 2772 PWs) bands (ev): -22.6371 -22.6371 -22.3893 -22.3893 -22.3800 -22.3800 -22.2143 -22.2143 -6.9629 -6.9629 -6.1099 -6.1099 -6.0588 -6.0588 -5.9279 -5.9279 -5.1162 -5.1162 -4.7051 -4.7051 -4.4247 -4.4247 -4.1642 -4.1642 -4.0242 -4.0242 -3.3036 -3.3036 -2.9309 -2.9309 -2.7628 -2.7628 12.0021 12.0021 12.8935 12.8935 13.1317 13.1317 13.1501 13.1501 13.3650 13.3650 14.0559 14.0559 14.4011 14.4011 15.0670 15.0670 k =-0.3309 0.6214 0.5390 ( 2772 PWs) bands (ev): -22.6422 -22.6422 -22.3939 -22.3939 -22.3846 -22.3846 -22.2011 -22.2011 -6.9453 -6.9453 -6.1238 -6.1238 -6.0417 -6.0417 -5.9144 -5.9144 -5.1209 -5.1209 -4.7117 -4.7117 -4.4184 -4.4184 -4.1778 -4.1778 -4.0136 -4.0136 -3.3123 -3.3123 -2.9368 -2.9368 -2.7689 -2.7689 11.9581 11.9581 12.9151 12.9151 13.1307 13.1307 13.1450 13.1450 13.3379 13.3379 13.9974 13.9974 14.4040 14.4040 15.0249 15.0249 k =-0.3309 0.6214 0.5390 ( 2772 PWs) bands (ev): -22.6422 -22.6422 -22.3939 -22.3939 -22.3846 -22.3846 -22.2011 -22.2011 -6.9453 -6.9453 -6.1238 -6.1238 -6.0417 -6.0417 -5.9144 -5.9144 -5.1209 -5.1209 -4.7117 -4.7117 -4.4184 -4.4184 -4.1778 -4.1778 -4.0136 -4.0136 -3.3123 -3.3123 -2.9368 -2.9368 -2.7689 -2.7689 11.9581 11.9581 12.9151 12.9151 13.1307 13.1307 13.1450 13.1450 13.3379 13.3379 13.9974 13.9974 14.4040 14.4040 15.0249 15.0249 k =-0.3372 0.6058 0.5390 ( 2772 PWs) bands (ev): -22.6530 -22.6530 -22.4025 -22.4025 -22.3933 -22.3933 -22.1748 -22.1748 -6.9089 -6.9089 -6.1601 -6.1601 -6.0011 -6.0011 -5.8873 -5.8873 -5.1280 -5.1280 -4.7265 -4.7265 -4.3992 -4.3992 -4.2054 -4.2054 -3.9923 -3.9923 -3.3320 -3.3320 -2.9510 -2.9510 -2.7826 -2.7826 11.8712 11.8712 12.9552 12.9552 13.1140 13.1140 13.1294 13.1294 13.2951 13.2951 13.8825 13.8825 14.4091 14.4091 14.9431 14.9431 k =-0.3435 0.5902 0.5390 ( 2772 PWs) bands (ev): -22.6637 -22.6637 -22.4110 -22.4110 -22.4018 -22.4018 -22.1490 -22.1490 -6.8709 -6.8709 -6.1966 -6.1966 -5.9590 -5.9590 -5.8615 -5.8615 -5.1327 -5.1327 -4.7439 -4.7439 -4.3743 -4.3743 -4.2323 -4.2323 -3.9716 -3.9716 -3.3544 -3.3544 -2.9666 -2.9666 -2.7987 -2.7987 11.7832 11.7832 12.9891 12.9891 13.0975 13.0975 13.1131 13.1131 13.2530 13.2530 13.7656 13.7656 14.4183 14.4183 14.8739 14.8739 k =-0.3497 0.5747 0.5390 ( 2780 PWs) bands (ev): -22.6741 -22.6741 -22.4194 -22.4194 -22.4101 -22.4101 -22.1238 -22.1238 -6.8314 -6.8314 -6.2328 -6.2328 -5.9157 -5.9157 -5.8376 -5.8376 -5.1342 -5.1342 -4.7626 -4.7626 -4.3454 -4.3454 -4.2585 -4.2585 -3.9517 -3.9517 -3.3793 -3.3793 -2.9835 -2.9835 -2.8172 -2.8172 11.6948 11.6948 13.0139 13.0139 13.0822 13.0822 13.0961 13.0961 13.2117 13.2117 13.6478 13.6478 14.4318 14.4318 14.8189 14.8189 k =-0.3560 0.5591 0.5390 ( 2804 PWs) bands (ev): -22.6843 -22.6843 -22.4275 -22.4275 -22.4182 -22.4182 -22.0992 -22.0992 -6.7906 -6.7906 -6.2685 -6.2685 -5.8713 -5.8713 -5.8163 -5.8163 -5.1320 -5.1320 -4.7819 -4.7819 -4.3136 -4.3136 -4.2838 -4.2838 -3.9329 -3.9329 -3.4067 -3.4067 -3.0018 -3.0018 -2.8381 -2.8381 11.6068 11.6068 13.0241 13.0241 13.0718 13.0718 13.0780 13.0780 13.1713 13.1713 13.5303 13.5303 14.4495 14.4495 14.7797 14.7797 k =-0.3622 0.5436 0.5390 ( 2800 PWs) bands (ev): -22.6941 -22.6941 -22.4354 -22.4354 -22.4261 -22.4261 -22.0753 -22.0753 -6.7486 -6.7486 -6.3035 -6.3035 -5.8258 -5.8258 -5.7981 -5.7981 -5.1257 -5.1257 -4.8010 -4.8010 -4.3082 -4.3082 -4.2800 -4.2800 -3.9151 -3.9151 -3.4363 -3.4363 -3.0212 -3.0212 -2.8614 -2.8614 11.5200 11.5200 13.0168 13.0168 13.0585 13.0585 13.0684 13.0684 13.1321 13.1321 13.4141 13.4141 14.4715 14.4715 14.7575 14.7575 k =-0.3685 0.5280 0.5390 ( 2792 PWs) bands (ev): -22.7037 -22.7037 -22.4431 -22.4431 -22.4338 -22.4338 -22.0521 -22.0521 -6.7055 -6.7055 -6.3376 -6.3376 -5.7842 -5.7842 -5.7786 -5.7786 -5.1151 -5.1151 -4.8191 -4.8191 -4.3317 -4.3317 -4.2453 -4.2453 -3.8985 -3.8985 -3.4678 -3.4678 -3.0418 -3.0418 -2.8870 -2.8870 11.4348 11.4348 12.9993 12.9993 13.0369 13.0369 13.0635 13.0635 13.0943 13.0943 13.3003 13.3003 14.4976 14.4976 14.7529 14.7529 k =-0.3748 0.5124 0.5390 ( 2800 PWs) bands (ev): -22.7130 -22.7130 -22.4505 -22.4505 -22.4412 -22.4412 -22.0296 -22.0296 -6.6615 -6.6615 -6.3707 -6.3707 -5.7724 -5.7724 -5.7320 -5.7320 -5.1006 -5.1006 -4.8354 -4.8354 -4.3541 -4.3541 -4.2101 -4.2101 -3.8834 -3.8834 -3.5011 -3.5011 -3.0633 -3.0633 -2.9148 -2.9148 11.3517 11.3517 12.9777 12.9777 13.0118 13.0118 13.0512 13.0512 13.0583 13.0583 13.1907 13.1907 14.5280 14.5280 14.7656 14.7656 k =-0.3810 0.4969 0.5390 ( 2784 PWs) bands (ev): -22.7220 -22.7220 -22.4577 -22.4577 -22.4484 -22.4484 -22.0079 -22.0079 -6.6167 -6.6167 -6.4026 -6.4026 -5.7648 -5.7648 -5.6843 -5.6843 -5.0830 -5.0830 -4.8489 -4.8489 -4.3755 -4.3755 -4.1749 -4.1749 -3.8698 -3.8698 -3.5357 -3.5357 -3.0856 -3.0856 -2.9448 -2.9448 11.2712 11.2712 12.9539 12.9539 12.9787 12.9787 13.0238 13.0238 13.0308 13.0308 13.0906 13.0906 14.5626 14.5626 14.7950 14.7950 k =-0.3873 0.4813 0.5390 ( 2784 PWs) bands (ev): -22.7306 -22.7306 -22.4646 -22.4646 -22.4553 -22.4553 -21.9871 -21.9871 -6.5713 -6.5713 -6.4334 -6.4334 -5.7605 -5.7605 -5.6361 -5.6361 -5.0641 -5.0641 -4.8579 -4.8579 -4.3958 -4.3958 -4.1400 -4.1400 -3.8582 -3.8582 -3.5713 -3.5713 -3.1087 -3.1087 -2.9768 -2.9768 11.1936 11.1936 12.9232 12.9232 12.9286 12.9286 12.9874 12.9874 13.0029 13.0029 13.0184 13.0184 14.6013 14.6013 14.8393 14.8393 k =-0.3936 0.4657 0.5390 ( 2784 PWs) bands (ev): -22.7388 -22.7388 -22.4712 -22.4712 -22.4619 -22.4619 -21.9671 -21.9671 -6.5255 -6.5255 -6.4628 -6.4628 -5.7590 -5.7590 -5.5876 -5.5876 -5.0466 -5.0466 -4.8600 -4.8600 -4.4149 -4.4149 -4.1058 -4.1058 -3.8489 -3.8489 -3.6074 -3.6074 -3.1322 -3.1322 -3.0109 -3.0109 11.1193 11.1193 12.8381 12.8381 12.9016 12.9016 12.9504 12.9504 12.9691 12.9691 12.9808 12.9808 14.6442 14.6442 14.8968 14.8968 k =-0.3998 0.4502 0.5390 ( 2784 PWs) bands (ev): -22.7467 -22.7467 -22.4775 -22.4775 -22.4682 -22.4682 -21.9480 -21.9480 -6.4913 -6.4913 -6.4791 -6.4791 -5.7600 -5.7600 -5.5391 -5.5391 -5.0341 -5.0341 -4.8522 -4.8522 -4.4328 -4.4328 -4.0726 -4.0726 -3.8426 -3.8426 -3.6431 -3.6431 -3.1559 -3.1559 -3.0467 -3.0467 11.0484 11.0484 12.7441 12.7441 12.8733 12.8733 12.9174 12.9174 12.9315 12.9315 12.9528 12.9528 14.6912 14.6912 14.9654 14.9654 k =-0.4061 0.4346 0.5390 ( 2776 PWs) bands (ev): -22.7541 -22.7541 -22.4835 -22.4835 -22.4741 -22.4741 -21.9299 -21.9299 -6.5176 -6.5176 -6.4334 -6.4334 -5.7629 -5.7629 -5.4907 -5.4907 -5.0285 -5.0285 -4.8327 -4.8327 -4.4494 -4.4494 -4.0407 -4.0407 -3.8404 -3.8404 -3.6773 -3.6773 -3.1797 -3.1797 -3.0843 -3.0843 10.9813 10.9813 12.6509 12.6509 12.8432 12.8432 12.8869 12.8869 12.8922 12.8922 12.9270 12.9270 14.7423 14.7423 15.0429 15.0429 k =-0.4123 0.4191 0.5390 ( 2784 PWs) bands (ev): -22.7612 -22.7612 -22.4892 -22.4892 -22.4798 -22.4798 -21.9128 -21.9128 -6.5427 -6.5427 -6.3877 -6.3877 -5.7673 -5.7673 -5.4428 -5.4428 -5.0295 -5.0295 -4.8028 -4.8028 -4.4646 -4.4646 -4.0104 -4.0104 -3.8442 -3.8442 -3.7079 -3.7079 -3.2031 -3.2031 -3.1234 -3.1234 10.9180 10.9180 12.5609 12.5609 12.8106 12.8106 12.8534 12.8534 12.8588 12.8588 12.9018 12.9018 14.7974 14.7974 15.1257 15.1257 k =-0.4186 0.4035 0.5390 ( 2784 PWs) bands (ev): -22.7678 -22.7678 -22.4945 -22.4945 -22.4851 -22.4851 -21.8967 -21.8967 -6.5663 -6.5663 -6.3425 -6.3425 -5.7727 -5.7727 -5.3956 -5.3956 -5.0349 -5.0349 -4.7648 -4.7648 -4.4783 -4.4783 -3.9819 -3.9819 -3.8561 -3.8561 -3.7325 -3.7325 -3.2260 -3.2260 -3.1638 -3.1638 10.8588 10.8588 12.4753 12.4753 12.7746 12.7746 12.8180 12.8180 12.8321 12.8321 12.8772 12.8772 14.8565 14.8565 15.2029 15.2029 k =-0.4249 0.3879 0.5390 ( 2784 PWs) bands (ev): -22.7740 -22.7740 -22.4995 -22.4995 -22.4901 -22.4901 -21.8817 -21.8817 -6.5882 -6.5882 -6.2982 -6.2982 -5.7788 -5.7788 -5.3494 -5.3494 -5.0426 -5.0426 -4.7214 -4.7214 -4.4905 -4.4905 -3.9555 -3.9555 -3.8773 -3.8773 -3.7499 -3.7499 -3.2479 -3.2479 -3.2053 -3.2053 10.8038 10.8038 12.3945 12.3945 12.7358 12.7358 12.7865 12.7865 12.8074 12.8074 12.8532 12.8532 14.9194 14.9194 15.2495 15.2495 k =-0.4311 0.3724 0.5390 ( 2784 PWs) bands (ev): -22.7798 -22.7798 -22.5041 -22.5041 -22.4947 -22.4947 -21.8677 -21.8677 -6.6086 -6.6086 -6.2550 -6.2550 -5.7853 -5.7853 -5.3046 -5.3046 -5.0514 -5.0514 -4.6743 -4.6743 -4.5010 -4.5010 -3.9315 -3.9315 -3.9058 -3.9058 -3.7618 -3.7618 -3.2687 -3.2687 -3.2475 -3.2475 10.7530 10.7530 12.3190 12.3190 12.6963 12.6963 12.7579 12.7579 12.7845 12.7845 12.8299 12.8299 14.9860 14.9860 15.2826 15.2826 k =-0.4374 0.3568 0.5390 ( 2788 PWs) bands (ev): -22.7850 -22.7850 -22.5084 -22.5084 -22.4989 -22.4989 -21.8549 -21.8549 -6.6273 -6.6273 -6.2134 -6.2134 -5.7918 -5.7918 -5.2617 -5.2617 -5.0605 -5.0605 -4.6246 -4.6246 -4.5097 -4.5097 -3.9387 -3.9387 -3.9099 -3.9099 -3.7708 -3.7708 -3.2909 -3.2909 -3.2869 -3.2869 10.7065 10.7065 12.2491 12.2491 12.6576 12.6576 12.7318 12.7318 12.7636 12.7636 12.8076 12.8076 15.0562 15.0562 15.3174 15.3174 k =-0.4436 0.3412 0.5390 ( 2788 PWs) bands (ev): -22.7898 -22.7898 -22.5122 -22.5122 -22.5028 -22.5028 -21.8432 -21.8432 -6.6443 -6.6443 -6.1738 -6.1738 -5.7982 -5.7982 -5.2210 -5.2210 -5.0693 -5.0693 -4.5734 -4.5734 -4.5164 -4.5164 -3.9732 -3.9732 -3.8917 -3.8917 -3.7791 -3.7791 -3.3325 -3.3325 -3.3049 -3.3049 10.6644 10.6644 12.1850 12.1850 12.6208 12.6208 12.7077 12.7077 12.7445 12.7445 12.7866 12.7866 15.1297 15.1297 15.3565 15.3565 k =-0.4499 0.3257 0.5390 ( 2788 PWs) bands (ev): -22.7942 -22.7942 -22.5157 -22.5157 -22.5063 -22.5063 -21.8326 -21.8326 -6.6596 -6.6596 -6.1365 -6.1365 -5.8044 -5.8044 -5.1831 -5.1831 -5.0776 -5.0776 -4.5227 -4.5227 -4.5199 -4.5199 -4.0079 -4.0079 -3.8770 -3.8770 -3.7875 -3.7875 -3.3740 -3.3740 -3.3203 -3.3203 10.6267 10.6267 12.1270 12.1270 12.5867 12.5867 12.6857 12.6857 12.7275 12.7275 12.7670 12.7670 15.2062 15.2062 15.4000 15.4000 k =-0.4562 0.3101 0.5390 ( 2796 PWs) bands (ev): -22.7980 -22.7980 -22.5188 -22.5188 -22.5094 -22.5094 -21.8233 -21.8233 -6.6731 -6.6731 -6.1020 -6.1020 -5.8101 -5.8101 -5.1484 -5.1484 -5.0852 -5.0852 -4.5239 -4.5239 -4.4692 -4.4692 -4.0416 -4.0416 -3.8663 -3.8663 -3.7963 -3.7963 -3.4137 -3.4137 -3.3335 -3.3335 10.5934 10.5934 12.0752 12.0752 12.5559 12.5559 12.6658 12.6658 12.7124 12.7124 12.7490 12.7490 15.2853 15.2853 15.4477 15.4477 k =-0.4624 0.2945 0.5390 ( 2804 PWs) bands (ev): -22.8014 -22.8014 -22.5215 -22.5215 -22.5121 -22.5121 -21.8151 -21.8151 -6.6849 -6.6849 -6.0708 -6.0708 -5.8152 -5.8152 -5.1175 -5.1175 -5.0918 -5.0918 -4.5246 -4.5246 -4.4179 -4.4179 -4.0736 -4.0736 -3.8603 -3.8603 -3.8055 -3.8055 -3.4506 -3.4506 -3.3447 -3.3447 10.5646 10.5646 12.0300 12.0300 12.5285 12.5285 12.6482 12.6482 12.6993 12.6993 12.7330 12.7330 15.3663 15.3663 15.4992 15.4992 k =-0.4687 0.2790 0.5390 ( 2800 PWs) bands (ev): -22.8042 -22.8042 -22.5238 -22.5238 -22.5143 -22.5143 -21.8082 -21.8082 -6.6948 -6.6948 -6.0433 -6.0433 -5.8197 -5.8197 -5.0984 -5.0984 -5.0899 -5.0899 -4.5235 -4.5235 -4.3682 -4.3682 -4.1029 -4.1029 -3.8594 -3.8594 -3.8147 -3.8147 -3.4836 -3.4836 -3.3538 -3.3538 10.5403 10.5403 11.9914 11.9914 12.5050 12.5050 12.6331 12.6331 12.6883 12.6883 12.7191 12.7191 15.4479 15.4479 15.5539 15.5539 k =-0.4750 0.2634 0.5390 ( 2792 PWs) bands (ev): -22.8065 -22.8065 -22.5256 -22.5256 -22.5162 -22.5162 -21.8025 -21.8025 -6.7030 -6.7030 -6.0201 -6.0201 -5.8235 -5.8235 -5.1028 -5.1028 -5.0680 -5.0680 -4.5209 -4.5209 -4.3215 -4.3215 -4.1288 -4.1288 -3.8637 -3.8637 -3.8233 -3.8233 -3.5113 -3.5113 -3.3610 -3.3610 10.5204 10.5204 11.9597 11.9597 12.4856 12.4856 12.6205 12.6205 12.6793 12.6793 12.7074 12.7074 15.5283 15.5283 15.6108 15.6108 k =-0.4812 0.2479 0.5390 ( 2792 PWs) bands (ev): -22.8084 -22.8084 -22.5271 -22.5271 -22.5177 -22.5177 -21.7981 -21.7981 -6.7094 -6.7094 -6.0015 -6.0015 -5.8264 -5.8264 -5.1065 -5.1065 -5.0505 -5.0505 -4.5175 -4.5175 -4.2796 -4.2796 -4.1505 -4.1505 -3.8724 -3.8724 -3.8308 -3.8308 -3.5330 -3.5330 -3.3664 -3.3664 10.5049 10.5049 11.9348 11.9348 12.4703 12.4703 12.6106 12.6106 12.6724 12.6724 12.6982 12.6982 15.6040 15.6040 15.6685 15.6685 k =-0.4875 0.2323 0.5390 ( 2784 PWs) bands (ev): -22.8097 -22.8097 -22.5282 -22.5282 -22.5187 -22.5187 -21.7949 -21.7949 -6.7140 -6.7140 -5.9879 -5.9879 -5.8286 -5.8286 -5.1092 -5.1092 -5.0379 -5.0379 -4.5141 -4.5141 -4.2452 -4.2452 -4.1669 -4.1669 -3.8833 -3.8833 -3.8367 -3.8367 -3.5482 -3.5482 -3.3702 -3.3702 10.4938 10.4938 11.9170 11.9170 12.4593 12.4593 12.6034 12.6034 12.6675 12.6675 12.6914 12.6914 15.6692 15.6692 15.7227 15.7227 k =-0.4937 0.2167 0.5390 ( 2784 PWs) bands (ev): -22.8104 -22.8104 -22.5288 -22.5288 -22.5194 -22.5194 -21.7930 -21.7930 -6.7167 -6.7167 -5.9796 -5.9796 -5.8299 -5.8299 -5.1109 -5.1109 -5.0304 -5.0304 -4.5116 -4.5116 -4.2220 -4.2220 -4.1772 -4.1772 -3.8927 -3.8927 -3.8404 -3.8404 -3.5571 -3.5571 -3.3724 -3.3724 10.4872 10.4872 11.9063 11.9063 12.4526 12.4526 12.5991 12.5991 12.6645 12.6645 12.6873 12.6873 15.7152 15.7152 15.7652 15.7652 k =-0.5000 0.2012 0.5390 ( 2780 PWs) bands (ev): -22.8107 -22.8107 -22.5290 -22.5290 -22.5196 -22.5196 -21.7924 -21.7924 -6.7176 -6.7176 -5.9769 -5.9769 -5.8304 -5.8304 -5.1114 -5.1114 -5.0278 -5.0278 -4.5107 -4.5107 -4.2137 -4.2137 -4.1806 -4.1806 -3.8964 -3.8964 -3.8416 -3.8416 -3.5600 -3.5600 -3.3731 -3.3731 10.4850 10.4850 11.9027 11.9027 12.4504 12.4504 12.5977 12.5977 12.6636 12.6636 12.6860 12.6860 15.7322 15.7322 15.7824 15.7824 k = 0.0000 0.0000 0.5390 ( 2790 PWs) bands (ev): -23.0799 -23.0799 -22.5301 -22.5301 -22.0497 -22.0497 -21.9612 -21.9612 -6.6414 -6.6414 -6.4116 -6.4116 -5.6733 -5.6733 -5.1463 -5.1463 -5.1012 -5.1012 -4.8310 -4.8310 -4.4528 -4.4528 -4.4384 -4.4384 -3.9156 -3.9156 -3.4466 -3.4466 -3.3317 -3.3317 -2.7755 -2.7755 11.1441 11.1441 11.5103 11.5103 12.3219 12.3219 12.3578 12.3578 12.5766 12.5766 13.1537 13.1537 14.4667 14.4667 14.9223 14.9223 k = 0.0063 0.0155 0.5390 ( 2790 PWs) bands (ev): -23.0795 -23.0795 -22.5299 -22.5299 -22.0499 -22.0499 -21.9617 -21.9617 -6.6470 -6.6470 -6.4059 -6.4059 -5.6739 -5.6739 -5.1478 -5.1478 -5.1034 -5.1034 -4.8301 -4.8301 -4.4559 -4.4559 -4.4363 -4.4363 -3.9128 -3.9128 -3.4460 -3.4460 -3.3312 -3.3312 -2.7758 -2.7758 11.1464 11.1464 11.5117 11.5117 12.3237 12.3237 12.3508 12.3508 12.5781 12.5781 13.1648 13.1648 14.4647 14.4647 14.9243 14.9243 k = 0.0125 0.0311 0.5390 ( 2796 PWs) bands (ev): -23.0782 -23.0782 -22.5293 -22.5293 -22.0503 -22.0503 -21.9630 -21.9630 -6.6622 -6.6622 -6.3903 -6.3903 -5.6756 -5.6756 -5.1530 -5.1530 -5.1087 -5.1087 -4.8281 -4.8281 -4.4632 -4.4632 -4.4314 -4.4314 -3.9045 -3.9045 -3.4443 -3.4443 -3.3297 -3.3297 -2.7765 -2.7765 11.1533 11.1533 11.5160 11.5160 12.3257 12.3257 12.3346 12.3346 12.5828 12.5828 13.1969 13.1969 14.4587 14.4587 14.9303 14.9303 k = 0.0187 0.0466 0.5390 ( 2780 PWs) bands (ev): -23.0761 -23.0761 -22.5282 -22.5282 -22.0511 -22.0511 -21.9652 -21.9652 -6.6839 -6.6839 -6.3681 -6.3681 -5.6786 -5.6786 -5.1629 -5.1629 -5.1147 -5.1147 -4.8267 -4.8267 -4.4736 -4.4736 -4.4238 -4.4238 -3.8913 -3.8913 -3.4423 -3.4423 -3.3269 -3.3269 -2.7777 -2.7777 11.1648 11.1648 11.5231 11.5231 12.2992 12.2992 12.3411 12.3411 12.5905 12.5905 13.2469 13.2469 14.4492 14.4492 14.9404 14.9404 k = 0.0250 0.0621 0.5390 ( 2764 PWs) bands (ev): -23.0732 -23.0732 -22.5267 -22.5267 -22.0521 -22.0521 -21.9683 -21.9683 -6.7093 -6.7093 -6.3422 -6.3422 -5.6828 -5.6828 -5.1778 -5.1778 -5.1196 -5.1196 -4.8277 -4.8277 -4.4870 -4.4870 -4.4120 -4.4120 -3.8738 -3.8738 -3.4406 -3.4406 -3.3222 -3.3222 -2.7794 -2.7794 11.1807 11.1807 11.5328 11.5328 12.2632 12.2632 12.3549 12.3549 12.6014 12.6014 13.3110 13.3110 14.4367 14.4367 14.9545 14.9545 k = 0.0312 0.0777 0.5390 ( 2768 PWs) bands (ev): -23.0695 -23.0695 -22.5249 -22.5249 -22.0534 -22.0534 -21.9723 -21.9723 -6.7366 -6.7366 -6.3146 -6.3146 -5.6884 -5.6884 -5.1962 -5.1962 -5.1236 -5.1236 -4.8321 -4.8321 -4.5032 -4.5032 -4.3950 -4.3950 -3.8528 -3.8528 -3.4402 -3.4402 -3.3153 -3.3153 -2.7815 -2.7815 11.2010 11.2010 11.5450 11.5450 12.2242 12.2242 12.3727 12.3727 12.6157 12.6157 13.3858 13.3858 14.4218 14.4218 14.9727 14.9727 k = 0.0375 0.0932 0.5390 ( 2768 PWs) bands (ev): -23.0649 -23.0649 -22.5226 -22.5226 -22.0550 -22.0550 -21.9771 -21.9771 -6.7646 -6.7646 -6.2869 -6.2869 -5.6953 -5.6953 -5.2165 -5.2165 -5.1274 -5.1274 -4.8398 -4.8398 -4.5217 -4.5217 -4.3725 -4.3725 -3.8292 -3.8292 -3.4416 -3.4416 -3.3060 -3.3060 -2.7839 -2.7839 11.2254 11.2254 11.5593 11.5593 12.1848 12.1848 12.3944 12.3944 12.6336 12.6336 13.4687 13.4687 14.4051 14.4051 14.9950 14.9950 k = 0.0437 0.1087 0.5390 ( 2764 PWs) bands (ev): -23.0595 -23.0595 -22.5199 -22.5199 -22.0570 -22.0570 -21.9828 -21.9828 -6.7926 -6.7926 -6.2602 -6.2602 -5.7037 -5.7037 -5.2376 -5.2376 -5.1317 -5.1317 -4.8500 -4.8500 -4.5419 -4.5419 -4.3449 -4.3449 -3.8039 -3.8039 -3.4453 -3.4453 -3.2943 -3.2943 -2.7868 -2.7868 11.2538 11.2538 11.5755 11.5755 12.1472 12.1472 12.4197 12.4197 12.6553 12.6553 13.5576 13.5576 14.3875 14.3875 15.0211 15.0211 k = 0.0500 0.1243 0.5390 ( 2762 PWs) bands (ev): -23.0533 -23.0533 -22.5168 -22.5168 -22.0592 -22.0592 -21.9894 -21.9894 -6.8201 -6.8201 -6.2353 -6.2353 -5.7134 -5.7134 -5.2590 -5.2590 -5.1367 -5.1367 -4.8613 -4.8613 -4.5626 -4.5626 -4.3134 -4.3134 -3.7775 -3.7775 -3.4512 -3.4512 -3.2806 -3.2806 -2.7900 -2.7900 11.2858 11.2858 11.5932 11.5932 12.1128 12.1128 12.4484 12.4484 12.6813 12.6813 13.6509 13.6509 14.3695 14.3695 15.0470 15.0470 k = 0.0563 0.1398 0.5390 ( 2762 PWs) bands (ev): -23.0463 -23.0463 -22.5133 -22.5133 -22.0617 -22.0617 -21.9968 -21.9968 -6.8467 -6.8467 -6.2131 -6.2131 -5.7243 -5.7243 -5.2807 -5.2807 -5.1423 -5.1423 -4.8726 -4.8726 -4.5828 -4.5828 -4.2789 -4.2789 -3.7507 -3.7507 -3.4591 -3.4591 -3.2654 -3.2654 -2.7934 -2.7934 11.3210 11.3210 11.6122 11.6122 12.0829 12.0829 12.4803 12.4803 12.7118 12.7118 13.7472 13.7472 14.3518 14.3518 15.0186 15.0186 k = 0.0625 0.1553 0.5390 ( 2766 PWs) bands (ev): -23.0386 -23.0386 -22.5095 -22.5095 -22.0645 -22.0645 -22.0050 -22.0050 -6.8722 -6.8722 -6.1942 -6.1942 -5.7365 -5.7365 -5.3034 -5.3034 -5.1479 -5.1479 -4.8829 -4.8829 -4.6011 -4.6011 -4.2425 -4.2425 -3.7241 -3.7241 -3.4689 -3.4689 -3.2491 -3.2491 -2.7972 -2.7972 11.3589 11.3589 11.6319 11.6319 12.0585 12.0585 12.5151 12.5151 12.7473 12.7473 13.8454 13.8454 14.3347 14.3347 14.9683 14.9683 k = 0.0688 0.1709 0.5390 ( 2762 PWs) bands (ev): -23.0300 -23.0300 -22.5052 -22.5052 -22.0676 -22.0676 -22.0140 -22.0140 -6.8965 -6.8965 -6.1793 -6.1793 -5.7498 -5.7498 -5.3279 -5.3279 -5.1524 -5.1524 -4.8919 -4.8919 -4.6165 -4.6165 -4.2052 -4.2052 -3.6981 -3.6981 -3.4802 -3.4802 -3.2320 -3.2320 -2.8014 -2.8014 11.3989 11.3989 11.6521 11.6521 12.0409 12.0409 12.5526 12.5526 12.7880 12.7880 13.9446 13.9446 14.3189 14.3189 14.9110 14.9110 k = 0.0750 0.1864 0.5390 ( 2766 PWs) bands (ev): -23.0207 -23.0207 -22.5006 -22.5006 -22.0710 -22.0710 -22.0239 -22.0239 -6.9193 -6.9193 -6.1688 -6.1688 -5.7642 -5.7642 -5.3549 -5.3549 -5.1547 -5.1547 -4.8995 -4.8995 -4.6277 -4.6277 -4.1679 -4.1679 -3.6729 -3.6729 -3.4930 -3.4930 -3.2143 -3.2143 -2.8058 -2.8058 11.4401 11.4401 11.6724 11.6724 12.0309 12.0309 12.5921 12.5921 12.8342 12.8342 14.0438 14.0438 14.3046 14.3046 14.8486 14.8486 k = 0.0813 0.2019 0.5390 ( 2764 PWs) bands (ev): -23.0106 -23.0106 -22.4956 -22.4956 -22.0746 -22.0746 -22.0345 -22.0345 -6.9405 -6.9405 -6.1627 -6.1627 -5.7798 -5.7798 -5.3848 -5.3848 -5.1538 -5.1538 -4.9057 -4.9057 -4.6339 -4.6339 -4.1315 -4.1315 -3.6488 -3.6488 -3.5070 -3.5070 -3.1963 -3.1963 -2.8107 -2.8107 11.4817 11.4817 11.6925 11.6925 12.0296 12.0296 12.6333 12.6333 12.8863 12.8863 14.1419 14.1419 14.2926 14.2926 14.7828 14.7828 k = 0.0875 0.2175 0.5390 ( 2756 PWs) bands (ev): -22.9998 -22.9998 -22.4903 -22.4903 -22.0786 -22.0786 -22.0459 -22.0459 -6.9600 -6.9600 -6.1611 -6.1611 -5.7970 -5.7970 -5.4180 -5.4180 -5.1490 -5.1490 -4.9106 -4.9106 -4.6345 -4.6345 -4.0969 -4.0969 -3.6257 -3.6257 -3.5219 -3.5219 -3.1781 -3.1781 -2.8161 -2.8161 11.5226 11.5226 11.7121 11.7121 12.0381 12.0381 12.6754 12.6754 12.9445 12.9445 14.2355 14.2355 14.2857 14.2857 14.7157 14.7157 k = 0.0938 0.2330 0.5390 ( 2756 PWs) bands (ev): -22.9883 -22.9883 -22.4846 -22.4846 -22.0828 -22.0828 -22.0581 -22.0581 -6.9778 -6.9778 -6.1636 -6.1636 -5.8159 -5.8159 -5.4540 -5.4540 -5.1402 -5.1402 -4.9141 -4.9141 -4.6295 -4.6295 -4.0648 -4.0648 -3.6037 -3.6037 -3.5375 -3.5375 -3.1597 -3.1597 -2.8221 -2.8221 11.5621 11.5621 11.7311 11.7311 12.0572 12.0572 12.7177 12.7177 13.0088 13.0088 14.2681 14.2681 14.3400 14.3400 14.6493 14.6493 k = 0.1000 0.2486 0.5390 ( 2756 PWs) bands (ev): -22.9760 -22.9760 -22.4786 -22.4786 -22.0873 -22.0873 -22.0709 -22.0709 -6.9938 -6.9938 -6.1698 -6.1698 -5.8371 -5.8371 -5.4926 -5.4926 -5.1276 -5.1276 -4.9158 -4.9158 -4.6189 -4.6189 -4.0361 -4.0361 -3.5840 -3.5840 -3.5520 -3.5520 -3.1412 -3.1412 -2.8288 -2.8288 11.5995 11.5995 11.7495 11.7495 12.0872 12.0872 12.7592 12.7592 13.0793 13.0793 14.2642 14.2642 14.4305 14.4305 14.5860 14.5860 k = 0.1062 0.2641 0.5390 ( 2756 PWs) bands (ev): -22.9631 -22.9631 -22.4723 -22.4723 -22.0921 -22.0921 -22.0845 -22.0845 -7.0078 -7.0078 -6.1790 -6.1790 -5.8607 -5.8607 -5.5331 -5.5331 -5.1116 -5.1116 -4.9152 -4.9152 -4.6033 -4.6033 -4.0116 -4.0116 -3.5803 -3.5803 -3.5510 -3.5510 -3.1226 -3.1226 -2.8362 -2.8362 11.6350 11.6350 11.7670 11.7670 12.1278 12.1278 12.7987 12.7987 13.1561 13.1561 14.2612 14.2612 14.5101 14.5101 14.5372 14.5372 k = 0.1125 0.2796 0.5390 ( 2756 PWs) bands (ev): -22.9494 -22.9494 -22.4657 -22.4657 -22.0988 -22.0988 -22.0972 -22.0972 -7.0200 -7.0200 -6.1905 -6.1905 -5.8870 -5.8870 -5.5752 -5.5752 -5.0926 -5.0926 -4.9120 -4.9120 -4.5830 -4.5830 -3.9920 -3.9920 -3.5959 -3.5959 -3.5310 -3.5310 -3.1043 -3.1043 -2.8446 -2.8446 11.6692 11.6692 11.7838 11.7838 12.1784 12.1784 12.8348 12.8348 13.2389 13.2389 14.2604 14.2604 14.4725 14.4725 14.6097 14.6097 k = 0.1187 0.2952 0.5390 ( 2760 PWs) bands (ev): -22.9352 -22.9352 -22.4588 -22.4588 -22.1138 -22.1138 -22.1025 -22.1025 -7.0301 -7.0301 -6.2036 -6.2036 -5.9161 -5.9161 -5.6183 -5.6183 -5.0713 -5.0713 -4.9057 -4.9057 -4.5586 -4.5586 -3.9777 -3.9777 -3.6148 -3.6148 -3.5072 -3.5072 -3.0863 -3.0863 -2.8540 -2.8540 11.7028 11.7028 11.8000 11.8000 12.2375 12.2375 12.8660 12.8660 13.3277 13.3277 14.2621 14.2621 14.4301 14.4301 14.6927 14.6927 k = 0.1250 0.3107 0.5390 ( 2760 PWs) bands (ev): -22.9203 -22.9203 -22.4517 -22.4517 -22.1294 -22.1294 -22.1081 -22.1081 -7.0382 -7.0382 -6.2179 -6.2179 -5.9478 -5.9478 -5.6620 -5.6620 -5.0482 -5.0482 -4.8963 -4.8963 -4.5307 -4.5307 -3.9690 -3.9690 -3.6351 -3.6351 -3.4814 -3.4814 -3.0690 -3.0690 -2.8644 -2.8644 11.7370 11.7370 11.8156 11.8156 12.3038 12.3038 12.8906 12.8906 13.4222 13.4222 14.2664 14.2664 14.3984 14.3984 14.7725 14.7725 k = 0.1313 0.3262 0.5390 ( 2750 PWs) bands (ev): -22.9047 -22.9047 -22.4442 -22.4442 -22.1456 -22.1456 -22.1139 -22.1139 -7.0442 -7.0442 -6.2327 -6.2327 -5.9821 -5.9821 -5.7060 -5.7060 -5.0238 -5.0238 -4.8835 -4.8835 -4.4997 -4.4997 -3.9655 -3.9655 -3.6564 -3.6564 -3.4539 -3.4539 -3.0526 -3.0526 -2.8756 -2.8756 11.7726 11.7726 11.8309 11.8309 12.3757 12.3757 12.9074 12.9074 13.5221 13.5221 14.2732 14.2732 14.3795 14.3795 14.8484 14.8484 k = 0.1375 0.3418 0.5390 ( 2750 PWs) bands (ev): -22.8886 -22.8886 -22.4365 -22.4365 -22.1624 -22.1624 -22.1201 -22.1201 -7.0481 -7.0481 -6.2477 -6.2477 -6.0186 -6.0186 -5.7497 -5.7497 -4.9986 -4.9986 -4.8674 -4.8674 -4.4662 -4.4662 -3.9670 -3.9670 -3.6785 -3.6785 -3.4249 -3.4249 -3.0378 -3.0378 -2.8875 -2.8875 11.8102 11.8102 11.8461 11.8461 12.4519 12.4519 12.9150 12.9150 13.6271 13.6271 14.2828 14.2828 14.3744 14.3744 14.9201 14.9201 k = 0.1437 0.3573 0.5390 ( 2758 PWs) bands (ev): -22.8719 -22.8719 -22.4286 -22.4286 -22.1797 -22.1797 -22.1264 -22.1264 -7.0499 -7.0499 -6.2624 -6.2624 -6.0571 -6.0571 -5.7930 -5.7930 -4.9730 -4.9730 -4.8480 -4.8480 -4.4307 -4.4307 -3.9728 -3.9728 -3.7016 -3.7016 -3.3948 -3.3948 -3.0253 -3.0253 -2.8995 -2.8995 11.8487 11.8487 11.8633 11.8633 12.5310 12.5310 12.9130 12.9130 13.7369 13.7369 14.2960 14.2960 14.3833 14.3833 14.9867 14.9867 k = 0.1500 0.3728 0.5390 ( 2774 PWs) bands (ev): -22.8547 -22.8547 -22.4205 -22.4205 -22.1976 -22.1976 -22.1330 -22.1330 -7.0495 -7.0495 -6.2765 -6.2765 -6.0973 -6.0973 -5.8356 -5.8356 -4.9471 -4.9471 -4.8257 -4.8257 -4.3939 -4.3939 -3.9820 -3.9820 -3.7255 -3.7255 -3.3641 -3.3641 -3.0164 -3.0164 -2.9104 -2.9104 11.8729 11.8729 11.8979 11.8979 12.6116 12.6116 12.9013 12.9013 13.8509 13.8509 14.3132 14.3132 14.4053 14.4053 15.0476 15.0476 k = 0.1562 0.3884 0.5390 ( 2774 PWs) bands (ev): -22.8370 -22.8370 -22.4122 -22.4122 -22.2160 -22.2160 -22.1399 -22.1399 -7.0470 -7.0470 -6.2898 -6.2898 -6.1389 -6.1389 -5.8772 -5.8772 -4.9210 -4.9210 -4.8007 -4.8007 -4.3566 -4.3566 -3.9936 -3.9936 -3.7499 -3.7499 -3.3332 -3.3332 -3.0132 -3.0132 -2.9184 -2.9184 11.8890 11.8890 11.9445 11.9445 12.6926 12.6926 12.8808 12.8808 13.9688 13.9688 14.3344 14.3344 14.4399 14.4399 15.1015 15.1015 k = 0.1625 0.4039 0.5390 ( 2774 PWs) bands (ev): -22.8187 -22.8187 -22.4036 -22.4036 -22.2349 -22.2349 -22.1470 -22.1470 -7.0424 -7.0424 -6.3020 -6.3020 -6.1816 -6.1816 -5.9175 -5.9175 -4.8948 -4.8948 -4.7734 -4.7734 -4.3199 -4.3199 -4.0066 -4.0066 -3.7748 -3.7748 -3.3028 -3.3028 -3.0174 -3.0174 -2.9217 -2.9217 11.9048 11.9048 11.9953 11.9953 12.7723 12.7723 12.8527 12.8527 14.0898 14.0898 14.3591 14.3591 14.4859 14.4859 15.1471 15.1471 k = 0.1688 0.4194 0.5390 ( 2774 PWs) bands (ev): -22.8000 -22.8000 -22.3950 -22.3950 -22.2542 -22.2542 -22.1543 -22.1543 -7.0355 -7.0355 -6.3131 -6.3131 -6.2251 -6.2251 -5.9565 -5.9565 -4.8683 -4.8683 -4.7442 -4.7442 -4.2857 -4.2857 -4.0193 -4.0193 -3.7995 -3.7995 -3.2735 -3.2735 -3.0285 -3.0285 -2.9203 -2.9203 11.9212 11.9212 12.0498 12.0498 12.8182 12.8182 12.8494 12.8494 14.2134 14.2134 14.3870 14.3870 14.5422 14.5422 15.1835 15.1835 k = 0.1750 0.4350 0.5390 ( 2774 PWs) bands (ev): -22.7809 -22.7809 -22.3861 -22.3861 -22.2739 -22.2739 -22.1618 -22.1618 -7.0266 -7.0266 -6.3228 -6.3228 -6.2689 -6.2689 -5.9940 -5.9940 -4.8413 -4.8413 -4.7135 -4.7135 -4.2566 -4.2566 -4.0297 -4.0297 -3.8232 -3.8232 -3.2465 -3.2465 -3.0442 -3.0442 -2.9162 -2.9162 11.9383 11.9383 12.1078 12.1078 12.7789 12.7789 12.9220 12.9220 14.3386 14.3386 14.4179 14.4179 14.6071 14.6071 15.2102 15.2102 k = 0.1812 0.4505 0.5390 ( 2758 PWs) bands (ev): -22.7613 -22.7613 -22.3771 -22.3771 -22.2940 -22.2940 -22.1695 -22.1695 -7.0154 -7.0154 -6.3318 -6.3318 -6.3123 -6.3123 -6.0298 -6.0298 -4.8139 -4.8139 -4.6816 -4.6816 -4.2364 -4.2364 -4.0355 -4.0355 -3.8443 -3.8443 -3.2236 -3.2236 -3.0610 -3.0610 -2.9112 -2.9112 11.9563 11.9563 12.1692 12.1692 12.7360 12.7360 12.9885 12.9885 14.4503 14.4503 14.4661 14.4661 14.6787 14.6787 15.2282 15.2282 k = 0.1875 0.4660 0.5390 ( 2762 PWs) bands (ev): -22.7413 -22.7413 -22.3681 -22.3681 -22.3145 -22.3145 -22.1775 -22.1775 -7.0022 -7.0022 -6.3593 -6.3593 -6.3355 -6.3355 -6.0640 -6.0640 -4.7860 -4.7860 -4.6488 -4.6488 -4.2282 -4.2282 -4.0364 -4.0364 -3.8597 -3.8597 -3.2086 -3.2086 -3.0743 -3.0743 -2.9064 -2.9064 11.9754 11.9754 12.2337 12.2337 12.6908 12.6908 13.0466 13.0466 14.4879 14.4879 14.5910 14.5910 14.7553 14.7553 15.2403 15.2403 k = 0.1938 0.4816 0.5390 ( 2762 PWs) bands (ev): -22.7210 -22.7210 -22.3589 -22.3589 -22.3353 -22.3353 -22.1856 -22.1856 -6.9868 -6.9868 -6.4027 -6.4027 -6.3410 -6.3410 -6.0964 -6.0964 -4.7575 -4.7575 -4.6154 -4.6154 -4.2324 -4.2324 -4.0370 -4.0370 -3.8643 -3.8643 -3.2069 -3.2069 -3.0783 -3.0783 -2.9024 -2.9024 11.9958 11.9958 12.3010 12.3010 12.6442 12.6442 13.0946 13.0946 14.5275 14.5275 14.7151 14.7151 14.8351 14.8351 15.2502 15.2502 k = 0.2000 0.4971 0.5390 ( 2760 PWs) bands (ev): -22.7004 -22.7004 -22.3564 -22.3564 -22.3496 -22.3496 -22.1939 -22.1939 -6.9693 -6.9693 -6.4462 -6.4462 -6.3440 -6.3440 -6.1270 -6.1270 -4.7285 -4.7285 -4.5815 -4.5815 -4.2459 -4.2459 -4.0446 -4.0446 -3.8538 -3.8538 -3.2207 -3.2207 -3.0706 -3.0706 -2.8998 -2.8998 12.0176 12.0176 12.3708 12.3708 12.5970 12.5970 13.1306 13.1306 14.5701 14.5701 14.8356 14.8356 14.9166 14.9166 15.2622 15.2622 k = 0.2062 0.5126 0.5390 ( 2760 PWs) bands (ev): -22.6795 -22.6795 -22.3777 -22.3777 -22.3402 -22.3402 -22.2023 -22.2023 -6.9497 -6.9497 -6.4892 -6.4892 -6.3451 -6.3451 -6.1558 -6.1558 -4.6989 -4.6989 -4.5475 -4.5475 -4.2654 -4.2654 -4.0615 -4.0615 -3.8288 -3.8288 -3.2457 -3.2457 -3.0552 -3.0552 -2.8986 -2.8986 12.0409 12.0409 12.4426 12.4426 12.5498 12.5498 13.1531 13.1531 14.6155 14.6155 14.9502 14.9502 14.9978 14.9978 15.2799 15.2799 k = 0.2125 0.5282 0.5390 ( 2762 PWs) bands (ev): -22.6583 -22.6583 -22.3992 -22.3992 -22.3308 -22.3308 -22.2110 -22.2110 -6.9281 -6.9281 -6.5314 -6.5314 -6.3443 -6.3443 -6.1826 -6.1826 -4.6689 -4.6689 -4.5138 -4.5138 -4.2881 -4.2881 -4.0854 -4.0854 -3.7941 -3.7941 -3.2774 -3.2774 -3.0366 -3.0366 -2.8991 -2.8991 12.0658 12.0658 12.5032 12.5032 12.5160 12.5160 13.1612 13.1612 14.6639 14.6639 15.0560 15.0560 15.0773 15.0773 15.3060 15.3060 k = 0.2188 0.5437 0.5390 ( 2756 PWs) bands (ev): -22.6369 -22.6369 -22.4209 -22.4209 -22.3214 -22.3214 -22.2197 -22.2197 -6.9044 -6.9044 -6.5727 -6.5727 -6.3415 -6.3415 -6.2075 -6.2075 -4.6386 -4.6386 -4.4813 -4.4813 -4.3120 -4.3120 -4.1137 -4.1137 -3.7536 -3.7536 -3.3133 -3.3133 -3.0173 -3.0173 -2.9013 -2.9013 12.0924 12.0924 12.4574 12.4574 12.5903 12.5903 13.1550 13.1550 14.7150 14.7150 15.1478 15.1478 15.1533 15.1533 15.3417 15.3417 k = 0.2250 0.5592 0.5390 ( 2760 PWs) bands (ev): -22.6154 -22.6154 -22.4427 -22.4427 -22.3120 -22.3120 -22.2286 -22.2286 -6.8789 -6.8789 -6.6128 -6.6128 -6.3367 -6.3367 -6.2305 -6.2305 -4.6080 -4.6080 -4.4523 -4.4523 -4.3338 -4.3338 -4.1445 -4.1445 -3.7100 -3.7100 -3.3520 -3.3520 -2.9985 -2.9985 -2.9054 -2.9054 12.1208 12.1208 12.4129 12.4129 12.6649 12.6649 13.1349 13.1349 14.7689 14.7689 15.2144 15.2144 15.2218 15.2218 15.3228 15.3228 k = 0.2313 0.5748 0.5390 ( 2756 PWs) bands (ev): -22.5936 -22.5936 -22.4647 -22.4647 -22.3025 -22.3025 -22.2376 -22.2376 -6.8514 -6.8514 -6.6517 -6.6517 -6.3300 -6.3300 -6.2514 -6.2514 -4.5772 -4.5772 -4.4342 -4.4342 -4.3457 -4.3457 -4.1769 -4.1769 -3.6646 -3.6646 -3.3930 -3.3930 -2.9806 -2.9806 -2.9113 -2.9113 12.1511 12.1511 12.3698 12.3698 12.7389 12.7389 13.1022 13.1022 14.8255 14.8255 15.2026 15.2026 15.2830 15.2830 15.3269 15.3269 k = 0.2375 0.5903 0.5390 ( 2748 PWs) bands (ev): -22.5718 -22.5718 -22.4866 -22.4866 -22.2931 -22.2931 -22.2467 -22.2467 -6.8220 -6.8220 -6.6893 -6.6893 -6.3212 -6.3212 -6.2704 -6.2704 -4.5466 -4.5466 -4.4383 -4.4383 -4.3361 -4.3361 -4.2101 -4.2101 -3.6186 -3.6186 -3.4357 -3.4357 -2.9642 -2.9642 -2.9190 -2.9190 12.1833 12.1833 12.3284 12.3284 12.8113 12.8113 13.0587 13.0587 14.8846 14.8846 15.1425 15.1425 15.3331 15.3331 15.3609 15.3609 k = 0.2437 0.6058 0.5390 ( 2746 PWs) bands (ev): -22.5500 -22.5500 -22.5085 -22.5085 -22.2837 -22.2837 -22.2559 -22.2559 -6.7909 -6.7909 -6.7253 -6.7253 -6.3104 -6.3104 -6.2874 -6.2874 -4.5163 -4.5163 -4.4592 -4.4592 -4.3103 -4.3103 -4.2436 -4.2436 -3.5724 -3.5724 -3.4797 -3.4797 -2.9494 -2.9494 -2.9286 -2.9286 12.2173 12.2173 12.2887 12.2887 12.8809 12.8809 13.0060 13.0060 14.9460 14.9460 15.0769 15.0769 15.3691 15.3691 15.3809 15.3809 k = 0.2500 0.6214 0.5390 ( 2756 PWs) bands (ev): -22.5335 -22.5335 -22.5250 -22.5250 -22.2743 -22.2743 -22.2652 -22.2652 -6.7616 -6.7616 -6.7561 -6.7561 -6.3025 -6.3025 -6.2974 -6.2974 -4.4888 -4.4888 -4.4844 -4.4844 -4.2789 -4.2789 -4.2766 -4.2766 -3.5282 -3.5282 -3.5233 -3.5233 -2.9409 -2.9409 -2.9354 -2.9354 12.2509 12.2509 12.2533 12.2533 12.9442 12.9442 12.9485 12.9485 15.0075 15.0075 15.0138 15.0138 15.3812 15.3812 15.3879 15.3879 Writing output data file Sr.save init_run : 0.38s CPU 1.02s WALL ( 1 calls) electrons : 141.49s CPU 146.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.18s WALL ( 1 calls) potinit : 0.02s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 141.48s CPU 146.17s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 323 calls) cegterg : 129.37s CPU 131.14s WALL ( 409 calls) Called by sum_band: Called by *egterg: h_psi : 78.28s CPU 79.68s WALL ( 7119 calls) s_psi : 3.98s CPU 4.04s WALL ( 7119 calls) g_psi : 0.14s CPU 0.15s WALL ( 6387 calls) cdiaghg : 46.78s CPU 47.52s WALL ( 6710 calls) cegterg:over : 3.83s CPU 3.79s WALL ( 6387 calls) cegterg:upda : 3.00s CPU 2.96s WALL ( 6387 calls) cegterg:last : 1.72s CPU 1.66s WALL ( 1108 calls) cdiaghg:chol : 2.62s CPU 2.58s WALL ( 6710 calls) cdiaghg:inve : 1.67s CPU 1.76s WALL ( 6710 calls) cdiaghg:para : 2.72s CPU 2.81s WALL ( 13420 calls) Called by h_psi: h_psi:vloc : 69.45s CPU 70.57s WALL ( 7119 calls) h_psi:vnl : 8.70s CPU 8.97s WALL ( 7119 calls) add_vuspsi : 4.57s CPU 4.90s WALL ( 7119 calls) General routines calbec : 4.10s CPU 4.05s WALL ( 7119 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 65.34s CPU 66.28s WALL ( 714080 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.14s WALL ( 646 calls) Parallel routines fft_scatter : 18.84s CPU 19.44s WALL ( 714103 calls) PWSCF : 2m33.41s CPU 3m 0.84s WALL This run was terminated on: 21:21:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=