Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2:48 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: ./P.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 23 19 5 541 391 65 Max 24 20 6 544 404 70 Sum 849 691 215 19527 14333 2491 bravais-lattice index = 14 lattice parameter (alat) = 10.3790 a.u. unit-cell volume = 512.1264 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 35.0000 Ry charge density cutoff = 172.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.378953 celldm(2)= 1.000000 celldm(3)= 0.796387 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.818037 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.818037 0.575165 0.000000 ) a(3) = ( 0.000000 0.000000 0.796387 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.422266 -0.000000 ) b(2) = ( 0.000000 1.738631 -0.000000 ) b(3) = ( 0.000000 0.000000 1.255671 ) PseudoPot. # 1 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 P 5.00 30.97380 P( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 440 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0051891 0.0164022 -0.0000000), wk = 0.0022727 k( 3) = ( 0.0103782 0.0328044 -0.0000000), wk = 0.0022727 k( 4) = ( 0.0155673 0.0492065 -0.0000000), wk = 0.0022727 k( 5) = ( 0.0207564 0.0656087 -0.0000000), wk = 0.0022727 k( 6) = ( 0.0259455 0.0820109 -0.0000000), wk = 0.0022727 k( 7) = ( 0.0311346 0.0984131 -0.0000000), wk = 0.0022727 k( 8) = ( 0.0363236 0.1148153 -0.0000000), wk = 0.0022727 k( 9) = ( 0.0415127 0.1312175 -0.0000000), wk = 0.0022727 k( 10) = ( 0.0467018 0.1476196 -0.0000000), wk = 0.0022727 k( 11) = ( 0.0518909 0.1640218 -0.0000000), wk = 0.0022727 k( 12) = ( 0.0570800 0.1804240 -0.0000000), wk = 0.0022727 k( 13) = ( 0.0622691 0.1968262 -0.0000000), wk = 0.0022727 k( 14) = ( 0.0674582 0.2132284 -0.0000000), wk = 0.0022727 k( 15) = ( 0.0726473 0.2296306 -0.0000000), wk = 0.0022727 k( 16) = ( 0.0778364 0.2460327 -0.0000000), wk = 0.0022727 k( 17) = ( 0.0830255 0.2624349 -0.0000000), wk = 0.0022727 k( 18) = ( 0.0882146 0.2788371 -0.0000000), wk = 0.0022727 k( 19) = ( 0.0934037 0.2952393 -0.0000000), wk = 0.0022727 k( 20) = ( 0.0985927 0.3116415 -0.0000000), wk = 0.0022727 k( 21) = ( 0.1037818 0.3280437 -0.0000000), wk = 0.0022727 k( 22) = ( 0.1089709 0.3444459 -0.0000000), wk = 0.0022727 k( 23) = ( 0.1141600 0.3608480 -0.0000000), wk = 0.0022727 k( 24) = ( 0.1193491 0.3772502 -0.0000000), wk = 0.0022727 k( 25) = ( 0.1245382 0.3936524 -0.0000000), wk = 0.0022727 k( 26) = ( 0.1297273 0.4100546 -0.0000000), wk = 0.0022727 k( 27) = ( 0.1349164 0.4264568 -0.0000000), wk = 0.0022727 k( 28) = ( 0.1401055 0.4428590 -0.0000000), wk = 0.0022727 k( 29) = ( 0.1452946 0.4592611 -0.0000000), wk = 0.0022727 k( 30) = ( 0.1504836 0.4756633 -0.0000000), wk = 0.0022727 k( 31) = ( 0.1556727 0.4920655 -0.0000000), wk = 0.0022727 k( 32) = ( 0.1608618 0.5084677 -0.0000000), wk = 0.0022727 k( 33) = ( 0.1660509 0.5248699 -0.0000000), wk = 0.0022727 k( 34) = ( 0.1712400 0.5412721 -0.0000000), wk = 0.0022727 k( 35) = ( 0.1764291 0.5576742 -0.0000000), wk = 0.0022727 k( 36) = ( 0.1816182 0.5740764 -0.0000000), wk = 0.0022727 k( 37) = ( 0.1868073 0.5904786 -0.0000000), wk = 0.0022727 k( 38) = ( 0.1919964 0.6068808 -0.0000000), wk = 0.0022727 k( 39) = ( 0.1971855 0.6232830 -0.0000000), wk = 0.0022727 k( 40) = ( 0.2023746 0.6396851 -0.0000000), wk = 0.0022727 k( 41) = ( 0.2075637 0.6560873 -0.0000000), wk = 0.0022727 k( 42) = ( 0.2127527 0.6724895 -0.0000000), wk = 0.0022727 k( 43) = ( 0.2179418 0.6888917 -0.0000000), wk = 0.0022727 k( 44) = ( 0.2231309 0.7052939 -0.0000000), wk = 0.0022727 k( 45) = ( 0.2283200 0.7216961 -0.0000000), wk = 0.0022727 k( 46) = ( 0.2335091 0.7380982 -0.0000000), wk = 0.0022727 k( 47) = ( 0.2386982 0.7545004 -0.0000000), wk = 0.0022727 k( 48) = ( 0.2438873 0.7709026 -0.0000000), wk = 0.0022727 k( 49) = ( 0.2490764 0.7873048 -0.0000000), wk = 0.0022727 k( 50) = ( 0.2542655 0.8037070 -0.0000000), wk = 0.0022727 k( 51) = ( 0.2594546 0.8201092 -0.0000000), wk = 0.0022727 k( 52) = ( 0.2646437 0.8365113 -0.0000000), wk = 0.0022727 k( 53) = ( 0.2698328 0.8529135 -0.0000000), wk = 0.0022727 k( 54) = ( 0.2750218 0.8693157 -0.0000000), wk = 0.0022727 k( 55) = ( 0.2750218 0.8693157 -0.0000000), wk = 0.0022727 k( 56) = ( 0.2578330 0.8693157 -0.0000000), wk = 0.0022727 k( 57) = ( 0.2406441 0.8693157 -0.0000000), wk = 0.0022727 k( 58) = ( 0.2234552 0.8693157 -0.0000000), wk = 0.0022727 k( 59) = ( 0.2062664 0.8693157 -0.0000000), wk = 0.0022727 k( 60) = ( 0.1890775 0.8693157 -0.0000000), wk = 0.0022727 k( 61) = ( 0.1718887 0.8693157 -0.0000000), wk = 0.0022727 k( 62) = ( 0.1546998 0.8693157 -0.0000000), wk = 0.0022727 k( 63) = ( 0.1375109 0.8693157 -0.0000000), wk = 0.0022727 k( 64) = ( 0.1203221 0.8693157 -0.0000000), wk = 0.0022727 k( 65) = ( 0.1031332 0.8693157 -0.0000000), wk = 0.0022727 k( 66) = ( 0.0859443 0.8693157 -0.0000000), wk = 0.0022727 k( 67) = ( 0.0687555 0.8693157 -0.0000000), wk = 0.0022727 k( 68) = ( 0.0515666 0.8693157 -0.0000000), wk = 0.0022727 k( 69) = ( 0.0343777 0.8693157 -0.0000000), wk = 0.0022727 k( 70) = ( 0.0171889 0.8693157 -0.0000000), wk = 0.0022727 k( 71) = ( 0.0000000 0.8693157 -0.0000000), wk = 0.0022727 k( 72) = ( 0.0000000 0.8693157 -0.0000000), wk = 0.0022727 k( 73) = ( 0.0000000 0.8693157 0.0174399), wk = 0.0022727 k( 74) = ( 0.0000000 0.8693157 0.0348798), wk = 0.0022727 k( 75) = ( 0.0000000 0.8693157 0.0523196), wk = 0.0022727 k( 76) = ( 0.0000000 0.8693157 0.0697595), wk = 0.0022727 k( 77) = ( 0.0000000 0.8693157 0.0871994), wk = 0.0022727 k( 78) = ( 0.0000000 0.8693157 0.1046393), wk = 0.0022727 k( 79) = ( 0.0000000 0.8693157 0.1220791), wk = 0.0022727 k( 80) = ( 0.0000000 0.8693157 0.1395190), wk = 0.0022727 k( 81) = ( 0.0000000 0.8693157 0.1569589), wk = 0.0022727 k( 82) = ( 0.0000000 0.8693157 0.1743988), wk = 0.0022727 k( 83) = ( 0.0000000 0.8693157 0.1918387), wk = 0.0022727 k( 84) = ( 0.0000000 0.8693157 0.2092785), wk = 0.0022727 k( 85) = ( 0.0000000 0.8693157 0.2267184), wk = 0.0022727 k( 86) = ( 0.0000000 0.8693157 0.2441583), wk = 0.0022727 k( 87) = ( 0.0000000 0.8693157 0.2615982), wk = 0.0022727 k( 88) = ( 0.0000000 0.8693157 0.2790380), wk = 0.0022727 k( 89) = ( 0.0000000 0.8693157 0.2964779), wk = 0.0022727 k( 90) = ( 0.0000000 0.8693157 0.3139178), wk = 0.0022727 k( 91) = ( 0.0000000 0.8693157 0.3313577), wk = 0.0022727 k( 92) = ( 0.0000000 0.8693157 0.3487975), wk = 0.0022727 k( 93) = ( 0.0000000 0.8693157 0.3662374), wk = 0.0022727 k( 94) = ( 0.0000000 0.8693157 0.3836773), wk = 0.0022727 k( 95) = ( 0.0000000 0.8693157 0.4011172), wk = 0.0022727 k( 96) = ( 0.0000000 0.8693157 0.4185570), wk = 0.0022727 k( 97) = ( 0.0000000 0.8693157 0.4359969), wk = 0.0022727 k( 98) = ( 0.0000000 0.8693157 0.4534368), wk = 0.0022727 k( 99) = ( 0.0000000 0.8693157 0.4708767), wk = 0.0022727 k( 100) = ( 0.0000000 0.8693157 0.4883166), wk = 0.0022727 k( 101) = ( 0.0000000 0.8693157 0.5057564), wk = 0.0022727 k( 102) = ( 0.0000000 0.8693157 0.5231963), wk = 0.0022727 k( 103) = ( 0.0000000 0.8693157 0.5406362), wk = 0.0022727 k( 104) = ( 0.0000000 0.8693157 0.5580761), wk = 0.0022727 k( 105) = ( 0.0000000 0.8693157 0.5755159), wk = 0.0022727 k( 106) = ( 0.0000000 0.8693157 0.5929558), wk = 0.0022727 k( 107) = ( 0.0000000 0.8693157 0.6103957), wk = 0.0022727 k( 108) = ( 0.0000000 0.8693157 0.6278356), wk = 0.0022727 k( 109) = ( 0.0000000 0.8693157 0.6278356), wk = 0.0022727 k( 110) = ( 0.0171889 0.8693157 0.6278356), wk = 0.0022727 k( 111) = ( 0.0343777 0.8693157 0.6278356), wk = 0.0022727 k( 112) = ( 0.0515666 0.8693157 0.6278356), wk = 0.0022727 k( 113) = ( 0.0687555 0.8693157 0.6278356), wk = 0.0022727 k( 114) = ( 0.0859443 0.8693157 0.6278356), wk = 0.0022727 k( 115) = ( 0.1031332 0.8693157 0.6278356), wk = 0.0022727 k( 116) = ( 0.1203221 0.8693157 0.6278356), wk = 0.0022727 k( 117) = ( 0.1375109 0.8693157 0.6278356), wk = 0.0022727 k( 118) = ( 0.1546998 0.8693157 0.6278356), wk = 0.0022727 k( 119) = ( 0.1718887 0.8693157 0.6278356), wk = 0.0022727 k( 120) = ( 0.1890775 0.8693157 0.6278356), wk = 0.0022727 k( 121) = ( 0.2062664 0.8693157 0.6278356), wk = 0.0022727 k( 122) = ( 0.2234552 0.8693157 0.6278356), wk = 0.0022727 k( 123) = ( 0.2406441 0.8693157 0.6278356), wk = 0.0022727 k( 124) = ( 0.2578330 0.8693157 0.6278356), wk = 0.0022727 k( 125) = ( 0.2750218 0.8693157 0.6278356), wk = 0.0022727 k( 126) = ( 0.2750218 0.8693157 0.6278356), wk = 0.0022727 k( 127) = ( 0.2698328 0.8529135 0.6278356), wk = 0.0022727 k( 128) = ( 0.2646437 0.8365113 0.6278356), wk = 0.0022727 k( 129) = ( 0.2594546 0.8201092 0.6278356), wk = 0.0022727 k( 130) = ( 0.2542655 0.8037070 0.6278356), wk = 0.0022727 k( 131) = ( 0.2490764 0.7873048 0.6278356), wk = 0.0022727 k( 132) = ( 0.2438873 0.7709026 0.6278356), wk = 0.0022727 k( 133) = ( 0.2386982 0.7545004 0.6278356), wk = 0.0022727 k( 134) = ( 0.2335091 0.7380982 0.6278356), wk = 0.0022727 k( 135) = ( 0.2283200 0.7216961 0.6278356), wk = 0.0022727 k( 136) = ( 0.2231309 0.7052939 0.6278356), wk = 0.0022727 k( 137) = ( 0.2179418 0.6888917 0.6278356), wk = 0.0022727 k( 138) = ( 0.2127527 0.6724895 0.6278356), wk = 0.0022727 k( 139) = ( 0.2075637 0.6560873 0.6278356), wk = 0.0022727 k( 140) = ( 0.2023746 0.6396851 0.6278356), wk = 0.0022727 k( 141) = ( 0.1971855 0.6232830 0.6278356), wk = 0.0022727 k( 142) = ( 0.1919964 0.6068808 0.6278356), wk = 0.0022727 k( 143) = ( 0.1868073 0.5904786 0.6278356), wk = 0.0022727 k( 144) = ( 0.1816182 0.5740764 0.6278356), wk = 0.0022727 k( 145) = ( 0.1764291 0.5576742 0.6278356), wk = 0.0022727 k( 146) = ( 0.1712400 0.5412721 0.6278356), wk = 0.0022727 k( 147) = ( 0.1660509 0.5248699 0.6278356), wk = 0.0022727 k( 148) = ( 0.1608618 0.5084677 0.6278356), wk = 0.0022727 k( 149) = ( 0.1556727 0.4920655 0.6278356), wk = 0.0022727 k( 150) = ( 0.1504836 0.4756633 0.6278356), wk = 0.0022727 k( 151) = ( 0.1452946 0.4592611 0.6278356), wk = 0.0022727 k( 152) = ( 0.1401055 0.4428590 0.6278356), wk = 0.0022727 k( 153) = ( 0.1349164 0.4264568 0.6278356), wk = 0.0022727 k( 154) = ( 0.1297273 0.4100546 0.6278356), wk = 0.0022727 k( 155) = ( 0.1245382 0.3936524 0.6278356), wk = 0.0022727 k( 156) = ( 0.1193491 0.3772502 0.6278356), wk = 0.0022727 k( 157) = ( 0.1141600 0.3608480 0.6278356), wk = 0.0022727 k( 158) = ( 0.1089709 0.3444459 0.6278356), wk = 0.0022727 k( 159) = ( 0.1037818 0.3280437 0.6278356), wk = 0.0022727 k( 160) = ( 0.0985927 0.3116415 0.6278356), wk = 0.0022727 k( 161) = ( 0.0934037 0.2952393 0.6278356), wk = 0.0022727 k( 162) = ( 0.0882146 0.2788371 0.6278356), wk = 0.0022727 k( 163) = ( 0.0830255 0.2624349 0.6278356), wk = 0.0022727 k( 164) = ( 0.0778364 0.2460327 0.6278356), wk = 0.0022727 k( 165) = ( 0.0726473 0.2296306 0.6278356), wk = 0.0022727 k( 166) = ( 0.0674582 0.2132284 0.6278356), wk = 0.0022727 k( 167) = ( 0.0622691 0.1968262 0.6278356), wk = 0.0022727 k( 168) = ( 0.0570800 0.1804240 0.6278356), wk = 0.0022727 k( 169) = ( 0.0518909 0.1640218 0.6278356), wk = 0.0022727 k( 170) = ( 0.0467018 0.1476196 0.6278356), wk = 0.0022727 k( 171) = ( 0.0415127 0.1312175 0.6278356), wk = 0.0022727 k( 172) = ( 0.0363236 0.1148153 0.6278356), wk = 0.0022727 k( 173) = ( 0.0311346 0.0984131 0.6278356), wk = 0.0022727 k( 174) = ( 0.0259455 0.0820109 0.6278356), wk = 0.0022727 k( 175) = ( 0.0207564 0.0656087 0.6278356), wk = 0.0022727 k( 176) = ( 0.0155673 0.0492065 0.6278356), wk = 0.0022727 k( 177) = ( 0.0103782 0.0328044 0.6278356), wk = 0.0022727 k( 178) = ( 0.0051891 0.0164022 0.6278356), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.6278356), wk = 0.0022727 k( 180) = ( 0.0000000 0.0000000 0.6278356), wk = 0.0022727 k( 181) = ( 0.0000000 0.0000000 0.6103957), wk = 0.0022727 k( 182) = ( 0.0000000 0.0000000 0.5929558), wk = 0.0022727 k( 183) = ( 0.0000000 0.0000000 0.5755159), wk = 0.0022727 k( 184) = ( 0.0000000 0.0000000 0.5580761), wk = 0.0022727 k( 185) = ( 0.0000000 0.0000000 0.5406362), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.5231963), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.5057564), wk = 0.0022727 k( 188) = ( 0.0000000 0.0000000 0.4883166), wk = 0.0022727 k( 189) = ( 0.0000000 0.0000000 0.4708767), wk = 0.0022727 k( 190) = ( 0.0000000 0.0000000 0.4534368), wk = 0.0022727 k( 191) = ( 0.0000000 0.0000000 0.4359969), wk = 0.0022727 k( 192) = ( 0.0000000 0.0000000 0.4185570), wk = 0.0022727 k( 193) = ( 0.0000000 0.0000000 0.4011172), wk = 0.0022727 k( 194) = ( 0.0000000 0.0000000 0.3836773), wk = 0.0022727 k( 195) = ( 0.0000000 0.0000000 0.3662374), wk = 0.0022727 k( 196) = ( 0.0000000 0.0000000 0.3487975), wk = 0.0022727 k( 197) = ( 0.0000000 0.0000000 0.3313577), wk = 0.0022727 k( 198) = ( 0.0000000 0.0000000 0.3139178), wk = 0.0022727 k( 199) = ( 0.0000000 0.0000000 0.2964779), wk = 0.0022727 k( 200) = ( 0.0000000 0.0000000 0.2790380), wk = 0.0022727 k( 201) = ( 0.0000000 0.0000000 0.2615982), wk = 0.0022727 k( 202) = ( 0.0000000 0.0000000 0.2441583), wk = 0.0022727 k( 203) = ( 0.0000000 0.0000000 0.2267184), wk = 0.0022727 k( 204) = ( 0.0000000 0.0000000 0.2092785), wk = 0.0022727 k( 205) = ( 0.0000000 0.0000000 0.1918387), wk = 0.0022727 k( 206) = ( 0.0000000 0.0000000 0.1743988), wk = 0.0022727 k( 207) = ( 0.0000000 0.0000000 0.1569589), wk = 0.0022727 k( 208) = ( 0.0000000 0.0000000 0.1395190), wk = 0.0022727 k( 209) = ( 0.0000000 0.0000000 0.1220791), wk = 0.0022727 k( 210) = ( 0.0000000 0.0000000 0.1046393), wk = 0.0022727 k( 211) = ( 0.0000000 0.0000000 0.0871994), wk = 0.0022727 k( 212) = ( 0.0000000 0.0000000 0.0697595), wk = 0.0022727 k( 213) = ( 0.0000000 0.0000000 0.0523196), wk = 0.0022727 k( 214) = ( 0.0000000 0.0000000 0.0348798), wk = 0.0022727 k( 215) = ( 0.0000000 0.0000000 0.0174399), wk = 0.0022727 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 218) = ( -0.0166667 0.0052728 0.0000000), wk = 0.0022727 k( 219) = ( -0.0333333 0.0105455 0.0000000), wk = 0.0022727 k( 220) = ( -0.0500000 0.0158183 0.0000000), wk = 0.0022727 k( 221) = ( -0.0666667 0.0210911 0.0000000), wk = 0.0022727 k( 222) = ( -0.0833333 0.0263638 0.0000000), wk = 0.0022727 k( 223) = ( -0.1000000 0.0316366 0.0000000), wk = 0.0022727 k( 224) = ( -0.1166667 0.0369094 0.0000000), wk = 0.0022727 k( 225) = ( -0.1333333 0.0421821 0.0000000), wk = 0.0022727 k( 226) = ( -0.1500000 0.0474549 0.0000000), wk = 0.0022727 k( 227) = ( -0.1666667 0.0527276 0.0000000), wk = 0.0022727 k( 228) = ( -0.1833333 0.0580004 0.0000000), wk = 0.0022727 k( 229) = ( -0.2000000 0.0632732 0.0000000), wk = 0.0022727 k( 230) = ( -0.2166667 0.0685459 0.0000000), wk = 0.0022727 k( 231) = ( -0.2333333 0.0738187 0.0000000), wk = 0.0022727 k( 232) = ( -0.2500000 0.0790915 0.0000000), wk = 0.0022727 k( 233) = ( -0.2666667 0.0843642 0.0000000), wk = 0.0022727 k( 234) = ( -0.2833333 0.0896370 0.0000000), wk = 0.0022727 k( 235) = ( -0.3000000 0.0949098 0.0000000), wk = 0.0022727 k( 236) = ( -0.3166667 0.1001825 0.0000000), wk = 0.0022727 k( 237) = ( -0.3333333 0.1054553 0.0000000), wk = 0.0022727 k( 238) = ( -0.3500000 0.1107281 0.0000000), wk = 0.0022727 k( 239) = ( -0.3666667 0.1160008 0.0000000), wk = 0.0022727 k( 240) = ( -0.3833333 0.1212736 0.0000000), wk = 0.0022727 k( 241) = ( -0.4000000 0.1265464 0.0000000), wk = 0.0022727 k( 242) = ( -0.4166667 0.1318191 0.0000000), wk = 0.0022727 k( 243) = ( -0.4333333 0.1370919 0.0000000), wk = 0.0022727 k( 244) = ( -0.4500000 0.1423647 0.0000000), wk = 0.0022727 k( 245) = ( -0.4666667 0.1476374 0.0000000), wk = 0.0022727 k( 246) = ( -0.4833333 0.1529102 0.0000000), wk = 0.0022727 k( 247) = ( -0.5000000 0.1581829 0.0000000), wk = 0.0022727 k( 248) = ( -0.5000000 0.1581829 0.0000000), wk = 0.0022727 k( 249) = ( -0.4947680 0.1747209 -0.0000000), wk = 0.0022727 k( 250) = ( -0.4895359 0.1912589 -0.0000000), wk = 0.0022727 k( 251) = ( -0.4843038 0.2077969 -0.0000000), wk = 0.0022727 k( 252) = ( -0.4790718 0.2243348 -0.0000000), wk = 0.0022727 k( 253) = ( -0.4738398 0.2408728 -0.0000000), wk = 0.0022727 k( 254) = ( -0.4686077 0.2574108 -0.0000000), wk = 0.0022727 k( 255) = ( -0.4633756 0.2739487 -0.0000000), wk = 0.0022727 k( 256) = ( -0.4581436 0.2904867 -0.0000000), wk = 0.0022727 k( 257) = ( -0.4529115 0.3070247 -0.0000000), wk = 0.0022727 k( 258) = ( -0.4476795 0.3235627 -0.0000000), wk = 0.0022727 k( 259) = ( -0.4424475 0.3401006 -0.0000000), wk = 0.0022727 k( 260) = ( -0.4372154 0.3566386 -0.0000000), wk = 0.0022727 k( 261) = ( -0.4319833 0.3731766 -0.0000000), wk = 0.0022727 k( 262) = ( -0.4267513 0.3897145 -0.0000000), wk = 0.0022727 k( 263) = ( -0.4215193 0.4062525 -0.0000000), wk = 0.0022727 k( 264) = ( -0.4162872 0.4227905 -0.0000000), wk = 0.0022727 k( 265) = ( -0.4110551 0.4393285 -0.0000000), wk = 0.0022727 k( 266) = ( -0.4058231 0.4558664 -0.0000000), wk = 0.0022727 k( 267) = ( -0.4005911 0.4724044 -0.0000000), wk = 0.0022727 k( 268) = ( -0.3953590 0.4889424 -0.0000000), wk = 0.0022727 k( 269) = ( -0.3901269 0.5054803 -0.0000000), wk = 0.0022727 k( 270) = ( -0.3848949 0.5220183 -0.0000000), wk = 0.0022727 k( 271) = ( -0.3796628 0.5385563 -0.0000000), wk = 0.0022727 k( 272) = ( -0.3744308 0.5550943 -0.0000000), wk = 0.0022727 k( 273) = ( -0.3691988 0.5716322 -0.0000000), wk = 0.0022727 k( 274) = ( -0.3639667 0.5881702 -0.0000000), wk = 0.0022727 k( 275) = ( -0.3587346 0.6047082 -0.0000000), wk = 0.0022727 k( 276) = ( -0.3535026 0.6212461 -0.0000000), wk = 0.0022727 k( 277) = ( -0.3482706 0.6377841 -0.0000000), wk = 0.0022727 k( 278) = ( -0.3430385 0.6543221 -0.0000000), wk = 0.0022727 k( 279) = ( -0.3378064 0.6708601 -0.0000000), wk = 0.0022727 k( 280) = ( -0.3325744 0.6873980 -0.0000000), wk = 0.0022727 k( 281) = ( -0.3273424 0.7039360 -0.0000000), wk = 0.0022727 k( 282) = ( -0.3221103 0.7204740 -0.0000000), wk = 0.0022727 k( 283) = ( -0.3168782 0.7370119 -0.0000000), wk = 0.0022727 k( 284) = ( -0.3116462 0.7535499 -0.0000000), wk = 0.0022727 k( 285) = ( -0.3064141 0.7700879 -0.0000000), wk = 0.0022727 k( 286) = ( -0.3011821 0.7866258 -0.0000000), wk = 0.0022727 k( 287) = ( -0.2959501 0.8031638 -0.0000000), wk = 0.0022727 k( 288) = ( -0.2907180 0.8197018 -0.0000000), wk = 0.0022727 k( 289) = ( -0.2854859 0.8362398 -0.0000000), wk = 0.0022727 k( 290) = ( -0.2802539 0.8527778 -0.0000000), wk = 0.0022727 k( 291) = ( -0.2750218 0.8693157 -0.0000000), wk = 0.0022727 k( 292) = ( -0.2750218 0.8693157 -0.0000000), wk = 0.0022727 k( 293) = ( -0.2750218 0.8693157 0.0174399), wk = 0.0022727 k( 294) = ( -0.2750218 0.8693157 0.0348798), wk = 0.0022727 k( 295) = ( -0.2750218 0.8693157 0.0523196), wk = 0.0022727 k( 296) = ( -0.2750218 0.8693157 0.0697595), wk = 0.0022727 k( 297) = ( -0.2750218 0.8693157 0.0871994), wk = 0.0022727 k( 298) = ( -0.2750218 0.8693157 0.1046393), wk = 0.0022727 k( 299) = ( -0.2750218 0.8693157 0.1220791), wk = 0.0022727 k( 300) = ( -0.2750218 0.8693157 0.1395190), wk = 0.0022727 k( 301) = ( -0.2750218 0.8693157 0.1569589), wk = 0.0022727 k( 302) = ( -0.2750218 0.8693157 0.1743988), wk = 0.0022727 k( 303) = ( -0.2750218 0.8693157 0.1918387), wk = 0.0022727 k( 304) = ( -0.2750218 0.8693157 0.2092785), wk = 0.0022727 k( 305) = ( -0.2750218 0.8693157 0.2267184), wk = 0.0022727 k( 306) = ( -0.2750218 0.8693157 0.2441583), wk = 0.0022727 k( 307) = ( -0.2750218 0.8693157 0.2615982), wk = 0.0022727 k( 308) = ( -0.2750218 0.8693157 0.2790380), wk = 0.0022727 k( 309) = ( -0.2750218 0.8693157 0.2964779), wk = 0.0022727 k( 310) = ( -0.2750218 0.8693157 0.3139178), wk = 0.0022727 k( 311) = ( -0.2750218 0.8693157 0.3313577), wk = 0.0022727 k( 312) = ( -0.2750218 0.8693157 0.3487975), wk = 0.0022727 k( 313) = ( -0.2750218 0.8693157 0.3662374), wk = 0.0022727 k( 314) = ( -0.2750218 0.8693157 0.3836773), wk = 0.0022727 k( 315) = ( -0.2750218 0.8693157 0.4011172), wk = 0.0022727 k( 316) = ( -0.2750218 0.8693157 0.4185570), wk = 0.0022727 k( 317) = ( -0.2750218 0.8693157 0.4359969), wk = 0.0022727 k( 318) = ( -0.2750218 0.8693157 0.4534368), wk = 0.0022727 k( 319) = ( -0.2750218 0.8693157 0.4708767), wk = 0.0022727 k( 320) = ( -0.2750218 0.8693157 0.4883166), wk = 0.0022727 k( 321) = ( -0.2750218 0.8693157 0.5057564), wk = 0.0022727 k( 322) = ( -0.2750218 0.8693157 0.5231963), wk = 0.0022727 k( 323) = ( -0.2750218 0.8693157 0.5406362), wk = 0.0022727 k( 324) = ( -0.2750218 0.8693157 0.5580761), wk = 0.0022727 k( 325) = ( -0.2750218 0.8693157 0.5755159), wk = 0.0022727 k( 326) = ( -0.2750218 0.8693157 0.5929558), wk = 0.0022727 k( 327) = ( -0.2750218 0.8693157 0.6103957), wk = 0.0022727 k( 328) = ( -0.2750218 0.8693157 0.6278356), wk = 0.0022727 k( 329) = ( -0.2750218 0.8693157 0.6278356), wk = 0.0022727 k( 330) = ( -0.2802539 0.8527778 0.6278356), wk = 0.0022727 k( 331) = ( -0.2854859 0.8362398 0.6278356), wk = 0.0022727 k( 332) = ( -0.2907180 0.8197018 0.6278356), wk = 0.0022727 k( 333) = ( -0.2959501 0.8031638 0.6278356), wk = 0.0022727 k( 334) = ( -0.3011821 0.7866258 0.6278356), wk = 0.0022727 k( 335) = ( -0.3064141 0.7700879 0.6278356), wk = 0.0022727 k( 336) = ( -0.3116462 0.7535499 0.6278356), wk = 0.0022727 k( 337) = ( -0.3168782 0.7370119 0.6278356), wk = 0.0022727 k( 338) = ( -0.3221103 0.7204740 0.6278356), wk = 0.0022727 k( 339) = ( -0.3273424 0.7039360 0.6278356), wk = 0.0022727 k( 340) = ( -0.3325744 0.6873980 0.6278356), wk = 0.0022727 k( 341) = ( -0.3378064 0.6708601 0.6278356), wk = 0.0022727 k( 342) = ( -0.3430385 0.6543221 0.6278356), wk = 0.0022727 k( 343) = ( -0.3482706 0.6377841 0.6278356), wk = 0.0022727 k( 344) = ( -0.3535026 0.6212461 0.6278356), wk = 0.0022727 k( 345) = ( -0.3587346 0.6047082 0.6278356), wk = 0.0022727 k( 346) = ( -0.3639667 0.5881702 0.6278356), wk = 0.0022727 k( 347) = ( -0.3691988 0.5716322 0.6278356), wk = 0.0022727 k( 348) = ( -0.3744308 0.5550943 0.6278356), wk = 0.0022727 k( 349) = ( -0.3796628 0.5385563 0.6278356), wk = 0.0022727 k( 350) = ( -0.3848949 0.5220183 0.6278356), wk = 0.0022727 k( 351) = ( -0.3901269 0.5054803 0.6278356), wk = 0.0022727 k( 352) = ( -0.3953590 0.4889424 0.6278356), wk = 0.0022727 k( 353) = ( -0.4005911 0.4724044 0.6278356), wk = 0.0022727 k( 354) = ( -0.4058231 0.4558664 0.6278356), wk = 0.0022727 k( 355) = ( -0.4110551 0.4393285 0.6278356), wk = 0.0022727 k( 356) = ( -0.4162872 0.4227905 0.6278356), wk = 0.0022727 k( 357) = ( -0.4215193 0.4062525 0.6278356), wk = 0.0022727 k( 358) = ( -0.4267513 0.3897145 0.6278356), wk = 0.0022727 k( 359) = ( -0.4319833 0.3731766 0.6278356), wk = 0.0022727 k( 360) = ( -0.4372154 0.3566386 0.6278356), wk = 0.0022727 k( 361) = ( -0.4424475 0.3401006 0.6278356), wk = 0.0022727 k( 362) = ( -0.4476795 0.3235627 0.6278356), wk = 0.0022727 k( 363) = ( -0.4529115 0.3070247 0.6278356), wk = 0.0022727 k( 364) = ( -0.4581436 0.2904867 0.6278356), wk = 0.0022727 k( 365) = ( -0.4633756 0.2739487 0.6278356), wk = 0.0022727 k( 366) = ( -0.4686077 0.2574108 0.6278356), wk = 0.0022727 k( 367) = ( -0.4738398 0.2408728 0.6278356), wk = 0.0022727 k( 368) = ( -0.4790718 0.2243348 0.6278356), wk = 0.0022727 k( 369) = ( -0.4843038 0.2077969 0.6278356), wk = 0.0022727 k( 370) = ( -0.4895359 0.1912589 0.6278356), wk = 0.0022727 k( 371) = ( -0.4947680 0.1747209 0.6278356), wk = 0.0022727 k( 372) = ( -0.5000000 0.1581829 0.6278356), wk = 0.0022727 k( 373) = ( -0.5000000 0.1581829 0.6278356), wk = 0.0022727 k( 374) = ( -0.5000000 0.1581829 0.6103957), wk = 0.0022727 k( 375) = ( -0.5000000 0.1581829 0.5929558), wk = 0.0022727 k( 376) = ( -0.5000000 0.1581829 0.5755159), wk = 0.0022727 k( 377) = ( -0.5000000 0.1581829 0.5580761), wk = 0.0022727 k( 378) = ( -0.5000000 0.1581829 0.5406362), wk = 0.0022727 k( 379) = ( -0.5000000 0.1581829 0.5231963), wk = 0.0022727 k( 380) = ( -0.5000000 0.1581829 0.5057564), wk = 0.0022727 k( 381) = ( -0.5000000 0.1581829 0.4883166), wk = 0.0022727 k( 382) = ( -0.5000000 0.1581829 0.4708767), wk = 0.0022727 k( 383) = ( -0.5000000 0.1581829 0.4534368), wk = 0.0022727 k( 384) = ( -0.5000000 0.1581829 0.4359969), wk = 0.0022727 k( 385) = ( -0.5000000 0.1581829 0.4185570), wk = 0.0022727 k( 386) = ( -0.5000000 0.1581829 0.4011172), wk = 0.0022727 k( 387) = ( -0.5000000 0.1581829 0.3836773), wk = 0.0022727 k( 388) = ( -0.5000000 0.1581829 0.3662374), wk = 0.0022727 k( 389) = ( -0.5000000 0.1581829 0.3487975), wk = 0.0022727 k( 390) = ( -0.5000000 0.1581829 0.3313577), wk = 0.0022727 k( 391) = ( -0.5000000 0.1581829 0.3139178), wk = 0.0022727 k( 392) = ( -0.5000000 0.1581829 0.2964779), wk = 0.0022727 k( 393) = ( -0.5000000 0.1581829 0.2790380), wk = 0.0022727 k( 394) = ( -0.5000000 0.1581829 0.2615982), wk = 0.0022727 k( 395) = ( -0.5000000 0.1581829 0.2441583), wk = 0.0022727 k( 396) = ( -0.5000000 0.1581829 0.2267184), wk = 0.0022727 k( 397) = ( -0.5000000 0.1581829 0.2092785), wk = 0.0022727 k( 398) = ( -0.5000000 0.1581829 0.1918387), wk = 0.0022727 k( 399) = ( -0.5000000 0.1581829 0.1743988), wk = 0.0022727 k( 400) = ( -0.5000000 0.1581829 0.1569589), wk = 0.0022727 k( 401) = ( -0.5000000 0.1581829 0.1395190), wk = 0.0022727 k( 402) = ( -0.5000000 0.1581829 0.1220791), wk = 0.0022727 k( 403) = ( -0.5000000 0.1581829 0.1046393), wk = 0.0022727 k( 404) = ( -0.5000000 0.1581829 0.0871994), wk = 0.0022727 k( 405) = ( -0.5000000 0.1581829 0.0697595), wk = 0.0022727 k( 406) = ( -0.5000000 0.1581829 0.0523196), wk = 0.0022727 k( 407) = ( -0.5000000 0.1581829 0.0348798), wk = 0.0022727 k( 408) = ( -0.5000000 0.1581829 0.0174399), wk = 0.0022727 k( 409) = ( -0.5000000 0.1581829 0.0000000), wk = 0.0022727 k( 410) = ( 0.0000000 0.0000000 0.6278356), wk = 0.0022727 k( 411) = ( -0.0166667 0.0052728 0.6278356), wk = 0.0022727 k( 412) = ( -0.0333333 0.0105455 0.6278356), wk = 0.0022727 k( 413) = ( -0.0500000 0.0158183 0.6278356), wk = 0.0022727 k( 414) = ( -0.0666667 0.0210911 0.6278356), wk = 0.0022727 k( 415) = ( -0.0833333 0.0263638 0.6278356), wk = 0.0022727 k( 416) = ( -0.1000000 0.0316366 0.6278356), wk = 0.0022727 k( 417) = ( -0.1166667 0.0369094 0.6278356), wk = 0.0022727 k( 418) = ( -0.1333333 0.0421821 0.6278356), wk = 0.0022727 k( 419) = ( -0.1500000 0.0474549 0.6278356), wk = 0.0022727 k( 420) = ( -0.1666667 0.0527276 0.6278356), wk = 0.0022727 k( 421) = ( -0.1833333 0.0580004 0.6278356), wk = 0.0022727 k( 422) = ( -0.2000000 0.0632732 0.6278356), wk = 0.0022727 k( 423) = ( -0.2166667 0.0685459 0.6278356), wk = 0.0022727 k( 424) = ( -0.2333333 0.0738187 0.6278356), wk = 0.0022727 k( 425) = ( -0.2500000 0.0790915 0.6278356), wk = 0.0022727 k( 426) = ( -0.2666667 0.0843642 0.6278356), wk = 0.0022727 k( 427) = ( -0.2833333 0.0896370 0.6278356), wk = 0.0022727 k( 428) = ( -0.3000000 0.0949098 0.6278356), wk = 0.0022727 k( 429) = ( -0.3166667 0.1001825 0.6278356), wk = 0.0022727 k( 430) = ( -0.3333333 0.1054553 0.6278356), wk = 0.0022727 k( 431) = ( -0.3500000 0.1107281 0.6278356), wk = 0.0022727 k( 432) = ( -0.3666667 0.1160008 0.6278356), wk = 0.0022727 k( 433) = ( -0.3833333 0.1212736 0.6278356), wk = 0.0022727 k( 434) = ( -0.4000000 0.1265464 0.6278356), wk = 0.0022727 k( 435) = ( -0.4166667 0.1318191 0.6278356), wk = 0.0022727 k( 436) = ( -0.4333333 0.1370919 0.6278356), wk = 0.0022727 k( 437) = ( -0.4500000 0.1423647 0.6278356), wk = 0.0022727 k( 438) = ( -0.4666667 0.1476374 0.6278356), wk = 0.0022727 k( 439) = ( -0.4833333 0.1529102 0.6278356), wk = 0.0022727 k( 440) = ( -0.5000000 0.1581829 0.6278356), wk = 0.0022727 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0051891 0.0051891 -0.0000000), wk = 0.0022727 k( 3) = ( 0.0103782 0.0103782 -0.0000000), wk = 0.0022727 k( 4) = ( 0.0155673 0.0155673 0.0000000), wk = 0.0022727 k( 5) = ( 0.0207564 0.0207564 0.0000000), wk = 0.0022727 k( 6) = ( 0.0259455 0.0259455 0.0000000), wk = 0.0022727 k( 7) = ( 0.0311346 0.0311345 0.0000000), wk = 0.0022727 k( 8) = ( 0.0363236 0.0363236 0.0000000), wk = 0.0022727 k( 9) = ( 0.0415127 0.0415127 0.0000000), wk = 0.0022727 k( 10) = ( 0.0467018 0.0467018 0.0000000), wk = 0.0022727 k( 11) = ( 0.0518909 0.0518909 -0.0000000), wk = 0.0022727 k( 12) = ( 0.0570800 0.0570800 0.0000000), wk = 0.0022727 k( 13) = ( 0.0622691 0.0622691 0.0000000), wk = 0.0022727 k( 14) = ( 0.0674582 0.0674582 -0.0000000), wk = 0.0022727 k( 15) = ( 0.0726473 0.0726473 0.0000000), wk = 0.0022727 k( 16) = ( 0.0778364 0.0778364 0.0000000), wk = 0.0022727 k( 17) = ( 0.0830255 0.0830255 0.0000000), wk = 0.0022727 k( 18) = ( 0.0882146 0.0882145 -0.0000000), wk = 0.0022727 k( 19) = ( 0.0934037 0.0934037 0.0000000), wk = 0.0022727 k( 20) = ( 0.0985927 0.0985927 0.0000000), wk = 0.0022727 k( 21) = ( 0.1037818 0.1037818 0.0000000), wk = 0.0022727 k( 22) = ( 0.1089709 0.1089709 0.0000000), wk = 0.0022727 k( 23) = ( 0.1141600 0.1141600 -0.0000000), wk = 0.0022727 k( 24) = ( 0.1193491 0.1193491 0.0000000), wk = 0.0022727 k( 25) = ( 0.1245382 0.1245382 0.0000000), wk = 0.0022727 k( 26) = ( 0.1297273 0.1297273 0.0000000), wk = 0.0022727 k( 27) = ( 0.1349164 0.1349164 -0.0000000), wk = 0.0022727 k( 28) = ( 0.1401055 0.1401055 0.0000000), wk = 0.0022727 k( 29) = ( 0.1452946 0.1452946 0.0000000), wk = 0.0022727 k( 30) = ( 0.1504836 0.1504837 0.0000000), wk = 0.0022727 k( 31) = ( 0.1556727 0.1556727 0.0000000), wk = 0.0022727 k( 32) = ( 0.1608618 0.1608618 0.0000000), wk = 0.0022727 k( 33) = ( 0.1660509 0.1660509 0.0000000), wk = 0.0022727 k( 34) = ( 0.1712400 0.1712400 0.0000000), wk = 0.0022727 k( 35) = ( 0.1764291 0.1764291 0.0000000), wk = 0.0022727 k( 36) = ( 0.1816182 0.1816182 0.0000000), wk = 0.0022727 k( 37) = ( 0.1868073 0.1868073 0.0000000), wk = 0.0022727 k( 38) = ( 0.1919964 0.1919964 0.0000000), wk = 0.0022727 k( 39) = ( 0.1971855 0.1971855 0.0000000), wk = 0.0022727 k( 40) = ( 0.2023746 0.2023746 -0.0000000), wk = 0.0022727 k( 41) = ( 0.2075637 0.2075637 0.0000000), wk = 0.0022727 k( 42) = ( 0.2127527 0.2127527 0.0000000), wk = 0.0022727 k( 43) = ( 0.2179418 0.2179418 0.0000000), wk = 0.0022727 k( 44) = ( 0.2231309 0.2231309 0.0000000), wk = 0.0022727 k( 45) = ( 0.2283200 0.2283200 -0.0000000), wk = 0.0022727 k( 46) = ( 0.2335091 0.2335091 0.0000000), wk = 0.0022727 k( 47) = ( 0.2386982 0.2386982 0.0000000), wk = 0.0022727 k( 48) = ( 0.2438873 0.2438873 0.0000000), wk = 0.0022727 k( 49) = ( 0.2490764 0.2490764 -0.0000000), wk = 0.0022727 k( 50) = ( 0.2542655 0.2542655 0.0000000), wk = 0.0022727 k( 51) = ( 0.2594546 0.2594546 0.0000000), wk = 0.0022727 k( 52) = ( 0.2646437 0.2646437 0.0000000), wk = 0.0022727 k( 53) = ( 0.2698328 0.2698328 0.0000000), wk = 0.0022727 k( 54) = ( 0.2750218 0.2750218 0.0000000), wk = 0.0022727 k( 55) = ( 0.2750218 0.2750218 0.0000000), wk = 0.0022727 k( 56) = ( 0.2578330 0.2890830 -0.0000000), wk = 0.0022727 k( 57) = ( 0.2406441 0.3031441 0.0000000), wk = 0.0022727 k( 58) = ( 0.2234552 0.3172052 -0.0000000), wk = 0.0022727 k( 59) = ( 0.2062664 0.3312664 -0.0000000), wk = 0.0022727 k( 60) = ( 0.1890775 0.3453275 -0.0000000), wk = 0.0022727 k( 61) = ( 0.1718887 0.3593886 0.0000000), wk = 0.0022727 k( 62) = ( 0.1546998 0.3734498 -0.0000000), wk = 0.0022727 k( 63) = ( 0.1375109 0.3875109 -0.0000000), wk = 0.0022727 k( 64) = ( 0.1203221 0.4015721 -0.0000000), wk = 0.0022727 k( 65) = ( 0.1031332 0.4156332 -0.0000000), wk = 0.0022727 k( 66) = ( 0.0859443 0.4296943 -0.0000000), wk = 0.0022727 k( 67) = ( 0.0687555 0.4437555 -0.0000000), wk = 0.0022727 k( 68) = ( 0.0515666 0.4578166 0.0000000), wk = 0.0022727 k( 69) = ( 0.0343777 0.4718777 0.0000000), wk = 0.0022727 k( 70) = ( 0.0171889 0.4859389 0.0000000), wk = 0.0022727 k( 71) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022727 k( 72) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022727 k( 73) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0022727 k( 74) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0022727 k( 75) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0022727 k( 76) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0022727 k( 77) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0022727 k( 78) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0022727 k( 79) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0022727 k( 80) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0022727 k( 81) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0022727 k( 82) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0022727 k( 83) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0022727 k( 84) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0022727 k( 85) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0022727 k( 86) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0022727 k( 87) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0022727 k( 88) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0022727 k( 89) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0022727 k( 90) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022727 k( 91) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0022727 k( 92) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0022727 k( 93) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0022727 k( 94) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0022727 k( 95) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0022727 k( 96) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0022727 k( 97) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0022727 k( 98) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0022727 k( 99) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0022727 k( 100) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0022727 k( 101) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0022727 k( 102) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0022727 k( 103) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0022727 k( 104) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0022727 k( 105) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0022727 k( 106) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0022727 k( 107) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0022727 k( 108) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 109) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 110) = ( 0.0171889 0.4859389 0.5000000), wk = 0.0022727 k( 111) = ( 0.0343777 0.4718777 0.5000000), wk = 0.0022727 k( 112) = ( 0.0515666 0.4578166 0.5000000), wk = 0.0022727 k( 113) = ( 0.0687555 0.4437555 0.5000000), wk = 0.0022727 k( 114) = ( 0.0859443 0.4296943 0.5000000), wk = 0.0022727 k( 115) = ( 0.1031332 0.4156332 0.5000000), wk = 0.0022727 k( 116) = ( 0.1203221 0.4015721 0.5000000), wk = 0.0022727 k( 117) = ( 0.1375109 0.3875109 0.5000000), wk = 0.0022727 k( 118) = ( 0.1546998 0.3734498 0.5000000), wk = 0.0022727 k( 119) = ( 0.1718887 0.3593886 0.5000000), wk = 0.0022727 k( 120) = ( 0.1890775 0.3453275 0.5000000), wk = 0.0022727 k( 121) = ( 0.2062664 0.3312664 0.5000000), wk = 0.0022727 k( 122) = ( 0.2234552 0.3172052 0.5000000), wk = 0.0022727 k( 123) = ( 0.2406441 0.3031441 0.5000000), wk = 0.0022727 k( 124) = ( 0.2578330 0.2890830 0.5000000), wk = 0.0022727 k( 125) = ( 0.2750218 0.2750218 0.5000000), wk = 0.0022727 k( 126) = ( 0.2750218 0.2750218 0.5000000), wk = 0.0022727 k( 127) = ( 0.2698328 0.2698328 0.5000000), wk = 0.0022727 k( 128) = ( 0.2646437 0.2646437 0.5000000), wk = 0.0022727 k( 129) = ( 0.2594546 0.2594546 0.5000000), wk = 0.0022727 k( 130) = ( 0.2542655 0.2542655 0.5000000), wk = 0.0022727 k( 131) = ( 0.2490764 0.2490764 0.5000000), wk = 0.0022727 k( 132) = ( 0.2438873 0.2438873 0.5000000), wk = 0.0022727 k( 133) = ( 0.2386982 0.2386982 0.5000000), wk = 0.0022727 k( 134) = ( 0.2335091 0.2335091 0.5000000), wk = 0.0022727 k( 135) = ( 0.2283200 0.2283200 0.5000000), wk = 0.0022727 k( 136) = ( 0.2231309 0.2231309 0.5000000), wk = 0.0022727 k( 137) = ( 0.2179418 0.2179418 0.5000000), wk = 0.0022727 k( 138) = ( 0.2127527 0.2127527 0.5000000), wk = 0.0022727 k( 139) = ( 0.2075637 0.2075637 0.5000000), wk = 0.0022727 k( 140) = ( 0.2023746 0.2023746 0.5000000), wk = 0.0022727 k( 141) = ( 0.1971855 0.1971855 0.5000000), wk = 0.0022727 k( 142) = ( 0.1919964 0.1919964 0.5000000), wk = 0.0022727 k( 143) = ( 0.1868073 0.1868073 0.5000000), wk = 0.0022727 k( 144) = ( 0.1816182 0.1816182 0.5000000), wk = 0.0022727 k( 145) = ( 0.1764291 0.1764291 0.5000000), wk = 0.0022727 k( 146) = ( 0.1712400 0.1712400 0.5000000), wk = 0.0022727 k( 147) = ( 0.1660509 0.1660509 0.5000000), wk = 0.0022727 k( 148) = ( 0.1608618 0.1608618 0.5000000), wk = 0.0022727 k( 149) = ( 0.1556727 0.1556727 0.5000000), wk = 0.0022727 k( 150) = ( 0.1504836 0.1504837 0.5000000), wk = 0.0022727 k( 151) = ( 0.1452946 0.1452946 0.5000000), wk = 0.0022727 k( 152) = ( 0.1401055 0.1401055 0.5000000), wk = 0.0022727 k( 153) = ( 0.1349164 0.1349164 0.5000000), wk = 0.0022727 k( 154) = ( 0.1297273 0.1297273 0.5000000), wk = 0.0022727 k( 155) = ( 0.1245382 0.1245382 0.5000000), wk = 0.0022727 k( 156) = ( 0.1193491 0.1193491 0.5000000), wk = 0.0022727 k( 157) = ( 0.1141600 0.1141600 0.5000000), wk = 0.0022727 k( 158) = ( 0.1089709 0.1089709 0.5000000), wk = 0.0022727 k( 159) = ( 0.1037818 0.1037818 0.5000000), wk = 0.0022727 k( 160) = ( 0.0985927 0.0985927 0.5000000), wk = 0.0022727 k( 161) = ( 0.0934037 0.0934037 0.5000000), wk = 0.0022727 k( 162) = ( 0.0882146 0.0882145 0.5000000), wk = 0.0022727 k( 163) = ( 0.0830255 0.0830255 0.5000000), wk = 0.0022727 k( 164) = ( 0.0778364 0.0778364 0.5000000), wk = 0.0022727 k( 165) = ( 0.0726473 0.0726473 0.5000000), wk = 0.0022727 k( 166) = ( 0.0674582 0.0674582 0.5000000), wk = 0.0022727 k( 167) = ( 0.0622691 0.0622691 0.5000000), wk = 0.0022727 k( 168) = ( 0.0570800 0.0570800 0.5000000), wk = 0.0022727 k( 169) = ( 0.0518909 0.0518909 0.5000000), wk = 0.0022727 k( 170) = ( 0.0467018 0.0467018 0.5000000), wk = 0.0022727 k( 171) = ( 0.0415127 0.0415127 0.5000000), wk = 0.0022727 k( 172) = ( 0.0363236 0.0363236 0.5000000), wk = 0.0022727 k( 173) = ( 0.0311346 0.0311345 0.5000000), wk = 0.0022727 k( 174) = ( 0.0259455 0.0259455 0.5000000), wk = 0.0022727 k( 175) = ( 0.0207564 0.0207564 0.5000000), wk = 0.0022727 k( 176) = ( 0.0155673 0.0155673 0.5000000), wk = 0.0022727 k( 177) = ( 0.0103782 0.0103782 0.5000000), wk = 0.0022727 k( 178) = ( 0.0051891 0.0051891 0.5000000), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 181) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0022727 k( 182) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0022727 k( 183) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0022727 k( 184) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0022727 k( 185) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0022727 k( 188) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0022727 k( 189) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0022727 k( 190) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0022727 k( 191) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0022727 k( 192) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022727 k( 193) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0022727 k( 194) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0022727 k( 195) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0022727 k( 196) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0022727 k( 197) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0022727 k( 198) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022727 k( 199) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0022727 k( 200) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0022727 k( 201) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0022727 k( 202) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0022727 k( 203) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0022727 k( 204) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022727 k( 205) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0022727 k( 206) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0022727 k( 207) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0022727 k( 208) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0022727 k( 209) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0022727 k( 210) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0022727 k( 211) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0022727 k( 212) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0022727 k( 213) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0022727 k( 214) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0022727 k( 215) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0022727 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 218) = ( -0.0166667 0.0166667 -0.0000000), wk = 0.0022727 k( 219) = ( -0.0333333 0.0333333 -0.0000000), wk = 0.0022727 k( 220) = ( -0.0500000 0.0500000 -0.0000000), wk = 0.0022727 k( 221) = ( -0.0666667 0.0666667 -0.0000000), wk = 0.0022727 k( 222) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0022727 k( 223) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0022727 k( 224) = ( -0.1166667 0.1166667 -0.0000000), wk = 0.0022727 k( 225) = ( -0.1333333 0.1333333 -0.0000000), wk = 0.0022727 k( 226) = ( -0.1500000 0.1500000 -0.0000000), wk = 0.0022727 k( 227) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0022727 k( 228) = ( -0.1833333 0.1833333 -0.0000000), wk = 0.0022727 k( 229) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0022727 k( 230) = ( -0.2166667 0.2166667 -0.0000000), wk = 0.0022727 k( 231) = ( -0.2333333 0.2333333 -0.0000000), wk = 0.0022727 k( 232) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0022727 k( 233) = ( -0.2666667 0.2666667 -0.0000000), wk = 0.0022727 k( 234) = ( -0.2833333 0.2833333 -0.0000000), wk = 0.0022727 k( 235) = ( -0.3000000 0.3000000 -0.0000000), wk = 0.0022727 k( 236) = ( -0.3166667 0.3166667 -0.0000000), wk = 0.0022727 k( 237) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0022727 k( 238) = ( -0.3500000 0.3500000 -0.0000000), wk = 0.0022727 k( 239) = ( -0.3666667 0.3666667 -0.0000000), wk = 0.0022727 k( 240) = ( -0.3833333 0.3833333 -0.0000000), wk = 0.0022727 k( 241) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0022727 k( 242) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0022727 k( 243) = ( -0.4333333 0.4333333 -0.0000000), wk = 0.0022727 k( 244) = ( -0.4500000 0.4500000 -0.0000000), wk = 0.0022727 k( 245) = ( -0.4666667 0.4666667 -0.0000000), wk = 0.0022727 k( 246) = ( -0.4833333 0.4833333 -0.0000000), wk = 0.0022727 k( 247) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 248) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 249) = ( -0.4947680 0.5052321 -0.0000000), wk = 0.0022727 k( 250) = ( -0.4895359 0.5104641 -0.0000000), wk = 0.0022727 k( 251) = ( -0.4843038 0.5156962 -0.0000000), wk = 0.0022727 k( 252) = ( -0.4790718 0.5209282 -0.0000000), wk = 0.0022727 k( 253) = ( -0.4738398 0.5261602 -0.0000000), wk = 0.0022727 k( 254) = ( -0.4686077 0.5313923 -0.0000000), wk = 0.0022727 k( 255) = ( -0.4633756 0.5366243 -0.0000000), wk = 0.0022727 k( 256) = ( -0.4581436 0.5418564 -0.0000000), wk = 0.0022727 k( 257) = ( -0.4529115 0.5470884 -0.0000000), wk = 0.0022727 k( 258) = ( -0.4476795 0.5523205 -0.0000000), wk = 0.0022727 k( 259) = ( -0.4424475 0.5575525 -0.0000000), wk = 0.0022727 k( 260) = ( -0.4372154 0.5627846 -0.0000000), wk = 0.0022727 k( 261) = ( -0.4319833 0.5680167 -0.0000000), wk = 0.0022727 k( 262) = ( -0.4267513 0.5732487 -0.0000000), wk = 0.0022727 k( 263) = ( -0.4215193 0.5784807 -0.0000000), wk = 0.0022727 k( 264) = ( -0.4162872 0.5837128 -0.0000000), wk = 0.0022727 k( 265) = ( -0.4110551 0.5889448 -0.0000000), wk = 0.0022727 k( 266) = ( -0.4058231 0.5941769 -0.0000000), wk = 0.0022727 k( 267) = ( -0.4005911 0.5994090 -0.0000000), wk = 0.0022727 k( 268) = ( -0.3953590 0.6046410 -0.0000000), wk = 0.0022727 k( 269) = ( -0.3901269 0.6098731 0.0000000), wk = 0.0022727 k( 270) = ( -0.3848949 0.6151051 -0.0000000), wk = 0.0022727 k( 271) = ( -0.3796628 0.6203372 -0.0000000), wk = 0.0022727 k( 272) = ( -0.3744308 0.6255692 0.0000000), wk = 0.0022727 k( 273) = ( -0.3691988 0.6308012 -0.0000000), wk = 0.0022727 k( 274) = ( -0.3639667 0.6360333 -0.0000000), wk = 0.0022727 k( 275) = ( -0.3587346 0.6412653 0.0000000), wk = 0.0022727 k( 276) = ( -0.3535026 0.6464974 -0.0000000), wk = 0.0022727 k( 277) = ( -0.3482706 0.6517294 -0.0000000), wk = 0.0022727 k( 278) = ( -0.3430385 0.6569615 -0.0000000), wk = 0.0022727 k( 279) = ( -0.3378064 0.6621936 0.0000000), wk = 0.0022727 k( 280) = ( -0.3325744 0.6674256 -0.0000000), wk = 0.0022727 k( 281) = ( -0.3273424 0.6726576 -0.0000000), wk = 0.0022727 k( 282) = ( -0.3221103 0.6778897 -0.0000000), wk = 0.0022727 k( 283) = ( -0.3168782 0.6831217 -0.0000000), wk = 0.0022727 k( 284) = ( -0.3116462 0.6883538 -0.0000000), wk = 0.0022727 k( 285) = ( -0.3064141 0.6935858 -0.0000000), wk = 0.0022727 k( 286) = ( -0.3011821 0.6988179 -0.0000000), wk = 0.0022727 k( 287) = ( -0.2959501 0.7040500 -0.0000000), wk = 0.0022727 k( 288) = ( -0.2907180 0.7092820 0.0000000), wk = 0.0022727 k( 289) = ( -0.2854859 0.7145141 -0.0000000), wk = 0.0022727 k( 290) = ( -0.2802539 0.7197461 -0.0000000), wk = 0.0022727 k( 291) = ( -0.2750218 0.7249782 -0.0000000), wk = 0.0022727 k( 292) = ( -0.2750218 0.7249782 -0.0000000), wk = 0.0022727 k( 293) = ( -0.2750218 0.7249782 0.0138889), wk = 0.0022727 k( 294) = ( -0.2750218 0.7249782 0.0277778), wk = 0.0022727 k( 295) = ( -0.2750218 0.7249782 0.0416667), wk = 0.0022727 k( 296) = ( -0.2750218 0.7249782 0.0555556), wk = 0.0022727 k( 297) = ( -0.2750218 0.7249782 0.0694444), wk = 0.0022727 k( 298) = ( -0.2750218 0.7249782 0.0833333), wk = 0.0022727 k( 299) = ( -0.2750218 0.7249782 0.0972222), wk = 0.0022727 k( 300) = ( -0.2750218 0.7249782 0.1111111), wk = 0.0022727 k( 301) = ( -0.2750218 0.7249782 0.1250000), wk = 0.0022727 k( 302) = ( -0.2750218 0.7249782 0.1388889), wk = 0.0022727 k( 303) = ( -0.2750218 0.7249782 0.1527778), wk = 0.0022727 k( 304) = ( -0.2750218 0.7249782 0.1666667), wk = 0.0022727 k( 305) = ( -0.2750218 0.7249782 0.1805556), wk = 0.0022727 k( 306) = ( -0.2750218 0.7249782 0.1944444), wk = 0.0022727 k( 307) = ( -0.2750218 0.7249782 0.2083333), wk = 0.0022727 k( 308) = ( -0.2750218 0.7249782 0.2222222), wk = 0.0022727 k( 309) = ( -0.2750218 0.7249782 0.2361111), wk = 0.0022727 k( 310) = ( -0.2750218 0.7249782 0.2500000), wk = 0.0022727 k( 311) = ( -0.2750218 0.7249782 0.2638889), wk = 0.0022727 k( 312) = ( -0.2750218 0.7249782 0.2777778), wk = 0.0022727 k( 313) = ( -0.2750218 0.7249782 0.2916667), wk = 0.0022727 k( 314) = ( -0.2750218 0.7249782 0.3055556), wk = 0.0022727 k( 315) = ( -0.2750218 0.7249782 0.3194444), wk = 0.0022727 k( 316) = ( -0.2750218 0.7249782 0.3333333), wk = 0.0022727 k( 317) = ( -0.2750218 0.7249782 0.3472222), wk = 0.0022727 k( 318) = ( -0.2750218 0.7249782 0.3611111), wk = 0.0022727 k( 319) = ( -0.2750218 0.7249782 0.3750000), wk = 0.0022727 k( 320) = ( -0.2750218 0.7249782 0.3888889), wk = 0.0022727 k( 321) = ( -0.2750218 0.7249782 0.4027778), wk = 0.0022727 k( 322) = ( -0.2750218 0.7249782 0.4166667), wk = 0.0022727 k( 323) = ( -0.2750218 0.7249782 0.4305556), wk = 0.0022727 k( 324) = ( -0.2750218 0.7249782 0.4444444), wk = 0.0022727 k( 325) = ( -0.2750218 0.7249782 0.4583333), wk = 0.0022727 k( 326) = ( -0.2750218 0.7249782 0.4722222), wk = 0.0022727 k( 327) = ( -0.2750218 0.7249782 0.4861111), wk = 0.0022727 k( 328) = ( -0.2750218 0.7249782 0.5000000), wk = 0.0022727 k( 329) = ( -0.2750218 0.7249782 0.5000000), wk = 0.0022727 k( 330) = ( -0.2802539 0.7197461 0.5000000), wk = 0.0022727 k( 331) = ( -0.2854859 0.7145141 0.5000000), wk = 0.0022727 k( 332) = ( -0.2907180 0.7092820 0.5000000), wk = 0.0022727 k( 333) = ( -0.2959501 0.7040500 0.5000000), wk = 0.0022727 k( 334) = ( -0.3011821 0.6988179 0.5000000), wk = 0.0022727 k( 335) = ( -0.3064141 0.6935858 0.5000000), wk = 0.0022727 k( 336) = ( -0.3116462 0.6883538 0.5000000), wk = 0.0022727 k( 337) = ( -0.3168782 0.6831217 0.5000000), wk = 0.0022727 k( 338) = ( -0.3221103 0.6778897 0.5000000), wk = 0.0022727 k( 339) = ( -0.3273424 0.6726576 0.5000000), wk = 0.0022727 k( 340) = ( -0.3325744 0.6674256 0.5000000), wk = 0.0022727 k( 341) = ( -0.3378064 0.6621936 0.5000000), wk = 0.0022727 k( 342) = ( -0.3430385 0.6569615 0.5000000), wk = 0.0022727 k( 343) = ( -0.3482706 0.6517294 0.5000000), wk = 0.0022727 k( 344) = ( -0.3535026 0.6464974 0.5000000), wk = 0.0022727 k( 345) = ( -0.3587346 0.6412653 0.5000000), wk = 0.0022727 k( 346) = ( -0.3639667 0.6360333 0.5000000), wk = 0.0022727 k( 347) = ( -0.3691988 0.6308012 0.5000000), wk = 0.0022727 k( 348) = ( -0.3744308 0.6255692 0.5000000), wk = 0.0022727 k( 349) = ( -0.3796628 0.6203372 0.5000000), wk = 0.0022727 k( 350) = ( -0.3848949 0.6151051 0.5000000), wk = 0.0022727 k( 351) = ( -0.3901269 0.6098731 0.5000000), wk = 0.0022727 k( 352) = ( -0.3953590 0.6046410 0.5000000), wk = 0.0022727 k( 353) = ( -0.4005911 0.5994090 0.5000000), wk = 0.0022727 k( 354) = ( -0.4058231 0.5941769 0.5000000), wk = 0.0022727 k( 355) = ( -0.4110551 0.5889448 0.5000000), wk = 0.0022727 k( 356) = ( -0.4162872 0.5837128 0.5000000), wk = 0.0022727 k( 357) = ( -0.4215193 0.5784807 0.5000000), wk = 0.0022727 k( 358) = ( -0.4267513 0.5732487 0.5000000), wk = 0.0022727 k( 359) = ( -0.4319833 0.5680167 0.5000000), wk = 0.0022727 k( 360) = ( -0.4372154 0.5627846 0.5000000), wk = 0.0022727 k( 361) = ( -0.4424475 0.5575525 0.5000000), wk = 0.0022727 k( 362) = ( -0.4476795 0.5523205 0.5000000), wk = 0.0022727 k( 363) = ( -0.4529115 0.5470884 0.5000000), wk = 0.0022727 k( 364) = ( -0.4581436 0.5418564 0.5000000), wk = 0.0022727 k( 365) = ( -0.4633756 0.5366243 0.5000000), wk = 0.0022727 k( 366) = ( -0.4686077 0.5313923 0.5000000), wk = 0.0022727 k( 367) = ( -0.4738398 0.5261602 0.5000000), wk = 0.0022727 k( 368) = ( -0.4790718 0.5209282 0.5000000), wk = 0.0022727 k( 369) = ( -0.4843038 0.5156962 0.5000000), wk = 0.0022727 k( 370) = ( -0.4895359 0.5104641 0.5000000), wk = 0.0022727 k( 371) = ( -0.4947680 0.5052321 0.5000000), wk = 0.0022727 k( 372) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 373) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 374) = ( -0.5000000 0.5000000 0.4861111), wk = 0.0022727 k( 375) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0022727 k( 376) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0022727 k( 377) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0022727 k( 378) = ( -0.5000000 0.5000000 0.4305556), wk = 0.0022727 k( 379) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0022727 k( 380) = ( -0.5000000 0.5000000 0.4027778), wk = 0.0022727 k( 381) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0022727 k( 382) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0022727 k( 383) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0022727 k( 384) = ( -0.5000000 0.5000000 0.3472222), wk = 0.0022727 k( 385) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0022727 k( 386) = ( -0.5000000 0.5000000 0.3194444), wk = 0.0022727 k( 387) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0022727 k( 388) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0022727 k( 389) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0022727 k( 390) = ( -0.5000000 0.5000000 0.2638889), wk = 0.0022727 k( 391) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0022727 k( 392) = ( -0.5000000 0.5000000 0.2361111), wk = 0.0022727 k( 393) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0022727 k( 394) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0022727 k( 395) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0022727 k( 396) = ( -0.5000000 0.5000000 0.1805556), wk = 0.0022727 k( 397) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0022727 k( 398) = ( -0.5000000 0.5000000 0.1527778), wk = 0.0022727 k( 399) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0022727 k( 400) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0022727 k( 401) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0022727 k( 402) = ( -0.5000000 0.5000000 0.0972222), wk = 0.0022727 k( 403) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0022727 k( 404) = ( -0.5000000 0.5000000 0.0694444), wk = 0.0022727 k( 405) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0022727 k( 406) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0022727 k( 407) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0022727 k( 408) = ( -0.5000000 0.5000000 0.0138889), wk = 0.0022727 k( 409) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 410) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 411) = ( -0.0166667 0.0166667 0.5000000), wk = 0.0022727 k( 412) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0022727 k( 413) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0022727 k( 414) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0022727 k( 415) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0022727 k( 416) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0022727 k( 417) = ( -0.1166667 0.1166667 0.5000000), wk = 0.0022727 k( 418) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0022727 k( 419) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0022727 k( 420) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0022727 k( 421) = ( -0.1833333 0.1833333 0.5000000), wk = 0.0022727 k( 422) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0022727 k( 423) = ( -0.2166667 0.2166667 0.5000000), wk = 0.0022727 k( 424) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0022727 k( 425) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0022727 k( 426) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0022727 k( 427) = ( -0.2833333 0.2833333 0.5000000), wk = 0.0022727 k( 428) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0022727 k( 429) = ( -0.3166667 0.3166667 0.5000000), wk = 0.0022727 k( 430) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0022727 k( 431) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0022727 k( 432) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0022727 k( 433) = ( -0.3833333 0.3833333 0.5000000), wk = 0.0022727 k( 434) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0022727 k( 435) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0022727 k( 436) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0022727 k( 437) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0022727 k( 438) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0022727 k( 439) = ( -0.4833333 0.4833333 0.5000000), wk = 0.0022727 k( 440) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022727 Dense grid: 19527 G-vectors FFT dimensions: ( 45, 45, 36) Smooth grid: 14333 G-vectors FFT dimensions: ( 40, 40, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 108, 28) NL pseudopotentials 0.11 Mb ( 54, 136) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 544) G-vector shells 0.00 Mb ( 284) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 108, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.12 Mb ( 136, 2, 28) The potential is recalculated from file : ./P.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.7 secs Computing kpt #: 10 total cpu time spent up to now is 2.9 secs Computing kpt #: 11 total cpu time spent up to now is 3.0 secs Computing kpt #: 12 total cpu time spent up to now is 3.2 secs Computing kpt #: 13 total cpu time spent up to now is 3.3 secs Computing kpt #: 14 total cpu time spent up to now is 3.5 secs Computing kpt #: 15 total cpu time spent up to now is 3.7 secs Computing kpt #: 16 total cpu time spent up to now is 3.8 secs Computing kpt #: 17 total cpu time spent up to now is 4.0 secs Computing kpt #: 18 total cpu time spent up to now is 4.2 secs Computing kpt #: 19 total cpu time spent up to now is 4.3 secs Computing kpt #: 20 total cpu time spent up to now is 4.5 secs Computing kpt #: 21 total cpu time spent up to now is 4.6 secs Computing kpt #: 22 total cpu time spent up to now is 4.7 secs Computing kpt #: 23 total cpu time spent up to now is 4.9 secs Computing kpt #: 24 total cpu time spent up to now is 5.0 secs Computing kpt #: 25 total cpu time spent up to now is 5.2 secs Computing kpt #: 26 total cpu time spent up to now is 5.3 secs Computing kpt #: 27 total cpu time spent up to now is 5.4 secs Computing kpt #: 28 total cpu time spent up to now is 5.6 secs Computing kpt #: 29 total cpu time spent up to now is 5.7 secs Computing kpt #: 30 total cpu time spent up to now is 5.8 secs Computing kpt #: 31 total cpu time spent up to now is 5.9 secs Computing kpt #: 32 total cpu time spent up to now is 6.1 secs Computing kpt #: 33 total cpu time spent up to now is 6.2 secs Computing kpt #: 34 total cpu time spent up to now is 6.3 secs Computing kpt #: 35 total cpu time spent up to now is 6.5 secs Computing kpt #: 36 total cpu time spent up to now is 6.6 secs Computing kpt #: 37 total cpu time spent up to now is 6.8 secs Computing kpt #: 38 total cpu time spent up to now is 6.9 secs Computing kpt #: 39 total cpu time spent up to now is 7.1 secs Computing kpt #: 40 total cpu time spent up to now is 7.2 secs Computing kpt #: 41 total cpu time spent up to now is 7.4 secs Computing kpt #: 42 total cpu time spent up to now is 7.6 secs Computing kpt #: 43 total cpu time spent up to now is 7.7 secs Computing kpt #: 44 total cpu time spent up to now is 7.8 secs Computing kpt #: 45 total cpu time spent up to now is 8.0 secs Computing kpt #: 46 total cpu time spent up to now is 8.1 secs Computing kpt #: 47 total cpu time spent up to now is 8.2 secs Computing kpt #: 48 total cpu time spent up to now is 8.4 secs Computing kpt #: 49 total cpu time spent up to now is 8.5 secs Computing kpt #: 50 total cpu time spent up to now is 8.6 secs Computing kpt #: 51 total cpu time spent up to now is 8.8 secs Computing kpt #: 52 total cpu time spent up to now is 8.9 secs Computing kpt #: 53 total cpu time spent up to now is 9.1 secs Computing kpt #: 54 total cpu time spent up to now is 9.2 secs Computing kpt #: 55 total cpu time spent up to now is 9.3 secs Computing kpt #: 56 total cpu time spent up to now is 9.5 secs Computing kpt #: 57 total cpu time spent up to now is 9.6 secs Computing kpt #: 58 total cpu time spent up to now is 9.8 secs Computing kpt #: 59 total cpu time spent up to now is 9.9 secs Computing kpt #: 60 total cpu time spent up to now is 10.1 secs Computing kpt #: 61 total cpu time spent up to now is 10.2 secs Computing kpt #: 62 total cpu time spent up to now is 10.4 secs Computing kpt #: 63 total cpu time spent up to now is 10.5 secs Computing kpt #: 64 total cpu time spent up to now is 10.7 secs Computing kpt #: 65 total cpu time spent up to now is 10.8 secs Computing kpt #: 66 total cpu time spent up to now is 10.9 secs Computing kpt #: 67 total cpu time spent up to now is 11.1 secs Computing kpt #: 68 total cpu time spent up to now is 11.2 secs Computing kpt #: 69 total cpu time spent up to now is 11.4 secs Computing kpt #: 70 total cpu time spent up to now is 11.5 secs Computing kpt #: 71 total cpu time spent up to now is 11.7 secs Computing kpt #: 72 total cpu time spent up to now is 11.8 secs Computing kpt #: 73 total cpu time spent up to now is 11.9 secs Computing kpt #: 74 total cpu time spent up to now is 12.1 secs Computing kpt #: 75 total cpu time spent up to now is 12.2 secs Computing kpt #: 76 total cpu time spent up to now is 12.4 secs Computing kpt #: 77 total cpu time spent up to now is 12.5 secs Computing kpt #: 78 total cpu time spent up to now is 12.7 secs Computing kpt #: 79 total cpu time spent up to now is 12.8 secs Computing kpt #: 80 total cpu time spent up to now is 13.0 secs Computing kpt #: 81 total cpu time spent up to now is 13.1 secs Computing kpt #: 82 total cpu time spent up to now is 13.3 secs Computing kpt #: 83 total cpu time spent up to now is 13.4 secs Computing kpt #: 84 total cpu time spent up to now is 13.6 secs Computing kpt #: 85 total cpu time spent up to now is 13.7 secs Computing kpt #: 86 total cpu time spent up to now is 13.9 secs Computing kpt #: 87 total cpu time spent up to now is 14.0 secs Computing kpt #: 88 total cpu time spent up to now is 14.2 secs Computing kpt #: 89 total cpu time spent up to now is 14.3 secs Computing kpt #: 90 total cpu time spent up to now is 14.5 secs Computing kpt #: 91 total cpu time spent up to now is 14.6 secs Computing kpt #: 92 total cpu time spent up to now is 14.8 secs Computing kpt #: 93 total cpu time spent up to now is 14.9 secs Computing kpt #: 94 total cpu time spent up to now is 15.1 secs Computing kpt #: 95 total cpu time spent up to now is 15.2 secs Computing kpt #: 96 total cpu time spent up to now is 15.3 secs Computing kpt #: 97 total cpu time spent up to now is 15.5 secs Computing kpt #: 98 total cpu time spent up to now is 15.6 secs Computing kpt #: 99 total cpu time spent up to now is 15.8 secs Computing kpt #: 100 total cpu time spent up to now is 15.9 secs Computing kpt #: 101 total cpu time spent up to now is 16.1 secs Computing kpt #: 102 total cpu time spent up to now is 16.2 secs Computing kpt #: 103 total cpu time spent up to now is 16.4 secs Computing kpt #: 104 total cpu time spent up to now is 16.5 secs Computing kpt #: 105 total cpu time spent up to now is 16.7 secs Computing kpt #: 106 total cpu time spent up to now is 16.8 secs Computing kpt #: 107 total cpu time spent up to now is 16.9 secs Computing kpt #: 108 total cpu time spent up to now is 17.1 secs Computing kpt #: 109 total cpu time spent up to now is 17.2 secs Computing kpt #: 110 total cpu time spent up to now is 17.3 secs Computing kpt #: 111 total cpu time spent up to now is 17.5 secs Computing kpt #: 112 total cpu time spent up to now is 17.6 secs Computing kpt #: 113 total cpu time spent up to now is 17.7 secs Computing kpt #: 114 total cpu time spent up to now is 17.9 secs Computing kpt #: 115 total cpu time spent up to now is 18.0 secs Computing kpt #: 116 total cpu time spent up to now is 18.2 secs Computing kpt #: 117 total cpu time spent up to now is 18.3 secs Computing kpt #: 118 total cpu time spent up to now is 18.5 secs Computing kpt #: 119 total cpu time spent up to now is 18.6 secs Computing kpt #: 120 total cpu time spent up to now is 18.8 secs Computing kpt #: 121 total cpu time spent up to now is 19.0 secs Computing kpt #: 122 total cpu time spent up to now is 19.1 secs Computing kpt #: 123 total cpu time spent up to now is 19.3 secs Computing kpt #: 124 total cpu time spent up to now is 19.4 secs Computing kpt #: 125 total cpu time spent up to now is 19.6 secs Computing kpt #: 126 total cpu time spent up to now is 19.7 secs Computing kpt #: 127 total cpu time spent up to now is 19.9 secs Computing kpt #: 128 total cpu time spent up to now is 20.1 secs Computing kpt #: 129 total cpu time spent up to now is 20.2 secs Computing kpt #: 130 total cpu time spent up to now is 20.4 secs Computing kpt #: 131 total cpu time spent up to now is 20.5 secs Computing kpt #: 132 total cpu time spent up to now is 20.7 secs Computing kpt #: 133 total cpu time spent up to now is 20.8 secs Computing kpt #: 134 total cpu time spent up to now is 21.0 secs Computing kpt #: 135 total cpu time spent up to now is 21.1 secs Computing kpt #: 136 total cpu time spent up to now is 21.3 secs Computing kpt #: 137 total cpu time spent up to now is 21.4 secs Computing kpt #: 138 total cpu time spent up to now is 21.5 secs Computing kpt #: 139 total cpu time spent up to now is 21.7 secs Computing kpt #: 140 total cpu time spent up to now is 21.8 secs Computing kpt #: 141 total cpu time spent up to now is 22.0 secs Computing kpt #: 142 total cpu time spent up to now is 22.1 secs Computing kpt #: 143 total cpu time spent up to now is 22.2 secs Computing kpt #: 144 total cpu time spent up to now is 22.4 secs Computing kpt #: 145 total cpu time spent up to now is 22.6 secs Computing kpt #: 146 total cpu time spent up to now is 22.8 secs Computing kpt #: 147 total cpu time spent up to now is 22.9 secs Computing kpt #: 148 total cpu time spent up to now is 23.0 secs Computing kpt #: 149 total cpu time spent up to now is 23.2 secs Computing kpt #: 150 total cpu time spent up to now is 23.3 secs Computing kpt #: 151 total cpu time spent up to now is 23.5 secs Computing kpt #: 152 total cpu time spent up to now is 23.6 secs Computing kpt #: 153 total cpu time spent up to now is 23.7 secs Computing kpt #: 154 total cpu time spent up to now is 23.9 secs Computing kpt #: 155 total cpu time spent up to now is 24.0 secs Computing kpt #: 156 total cpu time spent up to now is 24.2 secs Computing kpt #: 157 total cpu time spent up to now is 24.4 secs Computing kpt #: 158 total cpu time spent up to now is 24.5 secs Computing kpt #: 159 total cpu time spent up to now is 24.7 secs Computing kpt #: 160 total cpu time spent up to now is 24.9 secs Computing kpt #: 161 total cpu time spent up to now is 25.2 secs Computing kpt #: 162 total cpu time spent up to now is 25.3 secs Computing kpt #: 163 total cpu time spent up to now is 25.5 secs Computing kpt #: 164 total cpu time spent up to now is 25.7 secs Computing kpt #: 165 total cpu time spent up to now is 25.8 secs Computing kpt #: 166 total cpu time spent up to now is 26.0 secs Computing kpt #: 167 total cpu time spent up to now is 26.1 secs Computing kpt #: 168 total cpu time spent up to now is 26.3 secs Computing kpt #: 169 total cpu time spent up to now is 26.4 secs Computing kpt #: 170 total cpu time spent up to now is 26.6 secs Computing kpt #: 171 total cpu time spent up to now is 26.7 secs Computing kpt #: 172 total cpu time spent up to now is 26.9 secs Computing kpt #: 173 total cpu time spent up to now is 27.0 secs Computing kpt #: 174 total cpu time spent up to now is 27.2 secs Computing kpt #: 175 total cpu time spent up to now is 27.3 secs Computing kpt #: 176 total cpu time spent up to now is 27.4 secs Computing kpt #: 177 total cpu time spent up to now is 27.6 secs Computing kpt #: 178 total cpu time spent up to now is 27.7 secs Computing kpt #: 179 total cpu time spent up to now is 27.9 secs Computing kpt #: 180 total cpu time spent up to now is 28.0 secs Computing kpt #: 181 total cpu time spent up to now is 28.1 secs Computing kpt #: 182 total cpu time spent up to now is 28.3 secs Computing kpt #: 183 total cpu time spent up to now is 28.4 secs Computing kpt #: 184 total cpu time spent up to now is 28.5 secs Computing kpt #: 185 total cpu time spent up to now is 28.7 secs Computing kpt #: 186 total cpu time spent up to now is 28.8 secs Computing kpt #: 187 total cpu time spent up to now is 29.0 secs Computing kpt #: 188 total cpu time spent up to now is 29.1 secs Computing kpt #: 189 total cpu time spent up to now is 29.2 secs Computing kpt #: 190 total cpu time spent up to now is 29.4 secs Computing kpt #: 191 total cpu time spent up to now is 29.6 secs Computing kpt #: 192 total cpu time spent up to now is 29.7 secs Computing kpt #: 193 total cpu time spent up to now is 29.9 secs Computing kpt #: 194 total cpu time spent up to now is 30.0 secs Computing kpt #: 195 total cpu time spent up to now is 30.2 secs Computing kpt #: 196 total cpu time spent up to now is 30.3 secs Computing kpt #: 197 total cpu time spent up to now is 30.5 secs Computing kpt #: 198 total cpu time spent up to now is 30.6 secs Computing kpt #: 199 total cpu time spent up to now is 30.7 secs Computing kpt #: 200 total cpu time spent up to now is 30.8 secs Computing kpt #: 201 total cpu time spent up to now is 31.0 secs Computing kpt #: 202 total cpu time spent up to now is 31.1 secs Computing kpt #: 203 total cpu time spent up to now is 31.2 secs Computing kpt #: 204 total cpu time spent up to now is 31.3 secs Computing kpt #: 205 total cpu time spent up to now is 31.5 secs Computing kpt #: 206 total cpu time spent up to now is 31.6 secs Computing kpt #: 207 total cpu time spent up to now is 31.7 secs Computing kpt #: 208 total cpu time spent up to now is 31.8 secs Computing kpt #: 209 total cpu time spent up to now is 32.0 secs Computing kpt #: 210 total cpu time spent up to now is 32.1 secs Computing kpt #: 211 total cpu time spent up to now is 32.2 secs Computing kpt #: 212 total cpu time spent up to now is 32.3 secs Computing kpt #: 213 total cpu time spent up to now is 32.5 secs Computing kpt #: 214 total cpu time spent up to now is 32.6 secs Computing kpt #: 215 total cpu time spent up to now is 32.7 secs Computing kpt #: 216 total cpu time spent up to now is 32.8 secs Computing kpt #: 217 total cpu time spent up to now is 33.0 secs Computing kpt #: 218 total cpu time spent up to now is 33.1 secs Computing kpt #: 219 total cpu time spent up to now is 33.2 secs Computing kpt #: 220 total cpu time spent up to now is 33.3 secs Computing kpt #: 221 total cpu time spent up to now is 33.5 secs Computing kpt #: 222 total cpu time spent up to now is 33.6 secs Computing kpt #: 223 total cpu time spent up to now is 33.7 secs Computing kpt #: 224 total cpu time spent up to now is 33.8 secs Computing kpt #: 225 total cpu time spent up to now is 34.0 secs Computing kpt #: 226 total cpu time spent up to now is 34.1 secs Computing kpt #: 227 total cpu time spent up to now is 34.2 secs Computing kpt #: 228 total cpu time spent up to now is 34.3 secs Computing kpt #: 229 total cpu time spent up to now is 34.5 secs Computing kpt #: 230 total cpu time spent up to now is 34.6 secs Computing kpt #: 231 total cpu time spent up to now is 34.7 secs Computing kpt #: 232 total cpu time spent up to now is 34.9 secs Computing kpt #: 233 total cpu time spent up to now is 35.0 secs Computing kpt #: 234 total cpu time spent up to now is 35.1 secs Computing kpt #: 235 total cpu time spent up to now is 35.2 secs Computing kpt #: 236 total cpu time spent up to now is 35.9 secs Computing kpt #: 237 total cpu time spent up to now is 36.0 secs Computing kpt #: 238 total cpu time spent up to now is 36.1 secs Computing kpt #: 239 total cpu time spent up to now is 36.2 secs Computing kpt #: 240 total cpu time spent up to now is 36.4 secs Computing kpt #: 241 total cpu time spent up to now is 36.5 secs Computing kpt #: 242 total cpu time spent up to now is 36.6 secs Computing kpt #: 243 total cpu time spent up to now is 36.8 secs Computing kpt #: 244 total cpu time spent up to now is 36.9 secs Computing kpt #: 245 total cpu time spent up to now is 37.0 secs Computing kpt #: 246 total cpu time spent up to now is 37.1 secs Computing kpt #: 247 total cpu time spent up to now is 37.2 secs Computing kpt #: 248 total cpu time spent up to now is 37.4 secs Computing kpt #: 249 total cpu time spent up to now is 37.5 secs Computing kpt #: 250 total cpu time spent up to now is 37.6 secs Computing kpt #: 251 total cpu time spent up to now is 37.8 secs Computing kpt #: 252 total cpu time spent up to now is 37.9 secs Computing kpt #: 253 total cpu time spent up to now is 38.0 secs Computing kpt #: 254 total cpu time spent up to now is 38.1 secs Computing kpt #: 255 total cpu time spent up to now is 38.3 secs Computing kpt #: 256 total cpu time spent up to now is 38.4 secs Computing kpt #: 257 total cpu time spent up to now is 38.5 secs Computing kpt #: 258 total cpu time spent up to now is 38.7 secs Computing kpt #: 259 total cpu time spent up to now is 38.8 secs Computing kpt #: 260 total cpu time spent up to now is 38.9 secs Computing kpt #: 261 total cpu time spent up to now is 39.1 secs Computing kpt #: 262 total cpu time spent up to now is 39.3 secs Computing kpt #: 263 total cpu time spent up to now is 39.4 secs Computing kpt #: 264 total cpu time spent up to now is 39.6 secs Computing kpt #: 265 total cpu time spent up to now is 39.7 secs Computing kpt #: 266 total cpu time spent up to now is 39.9 secs Computing kpt #: 267 total cpu time spent up to now is 40.1 secs Computing kpt #: 268 total cpu time spent up to now is 40.3 secs Computing kpt #: 269 total cpu time spent up to now is 40.5 secs Computing kpt #: 270 total cpu time spent up to now is 40.6 secs Computing kpt #: 271 total cpu time spent up to now is 40.8 secs Computing kpt #: 272 total cpu time spent up to now is 40.9 secs Computing kpt #: 273 total cpu time spent up to now is 41.0 secs Computing kpt #: 274 total cpu time spent up to now is 41.2 secs Computing kpt #: 275 total cpu time spent up to now is 41.3 secs Computing kpt #: 276 total cpu time spent up to now is 41.4 secs Computing kpt #: 277 total cpu time spent up to now is 41.6 secs Computing kpt #: 278 total cpu time spent up to now is 41.7 secs Computing kpt #: 279 total cpu time spent up to now is 41.8 secs Computing kpt #: 280 total cpu time spent up to now is 42.0 secs Computing kpt #: 281 total cpu time spent up to now is 42.1 secs Computing kpt #: 282 total cpu time spent up to now is 42.2 secs Computing kpt #: 283 total cpu time spent up to now is 42.4 secs Computing kpt #: 284 total cpu time spent up to now is 42.5 secs Computing kpt #: 285 total cpu time spent up to now is 42.7 secs Computing kpt #: 286 total cpu time spent up to now is 42.8 secs Computing kpt #: 287 total cpu time spent up to now is 43.0 secs Computing kpt #: 288 total cpu time spent up to now is 43.1 secs Computing kpt #: 289 total cpu time spent up to now is 43.3 secs Computing kpt #: 290 total cpu time spent up to now is 43.4 secs Computing kpt #: 291 total cpu time spent up to now is 43.6 secs Computing kpt #: 292 total cpu time spent up to now is 43.7 secs Computing kpt #: 293 total cpu time spent up to now is 43.9 secs Computing kpt #: 294 total cpu time spent up to now is 44.1 secs Computing kpt #: 295 total cpu time spent up to now is 44.2 secs Computing kpt #: 296 total cpu time spent up to now is 44.4 secs Computing kpt #: 297 total cpu time spent up to now is 44.5 secs Computing kpt #: 298 total cpu time spent up to now is 44.7 secs Computing kpt #: 299 total cpu time spent up to now is 44.8 secs Computing kpt #: 300 total cpu time spent up to now is 45.0 secs Computing kpt #: 301 total cpu time spent up to now is 45.1 secs Computing kpt #: 302 total cpu time spent up to now is 45.3 secs Computing kpt #: 303 total cpu time spent up to now is 45.4 secs Computing kpt #: 304 total cpu time spent up to now is 45.6 secs Computing kpt #: 305 total cpu time spent up to now is 45.8 secs Computing kpt #: 306 total cpu time spent up to now is 45.9 secs Computing kpt #: 307 total cpu time spent up to now is 46.1 secs Computing kpt #: 308 total cpu time spent up to now is 46.3 secs Computing kpt #: 309 total cpu time spent up to now is 46.4 secs Computing kpt #: 310 total cpu time spent up to now is 46.6 secs Computing kpt #: 311 total cpu time spent up to now is 46.7 secs Computing kpt #: 312 total cpu time spent up to now is 46.9 secs Computing kpt #: 313 total cpu time spent up to now is 47.0 secs Computing kpt #: 314 total cpu time spent up to now is 47.2 secs Computing kpt #: 315 total cpu time spent up to now is 47.3 secs Computing kpt #: 316 total cpu time spent up to now is 47.5 secs Computing kpt #: 317 total cpu time spent up to now is 47.6 secs Computing kpt #: 318 total cpu time spent up to now is 47.8 secs Computing kpt #: 319 total cpu time spent up to now is 48.0 secs Computing kpt #: 320 total cpu time spent up to now is 48.1 secs Computing kpt #: 321 total cpu time spent up to now is 48.3 secs Computing kpt #: 322 total cpu time spent up to now is 48.4 secs Computing kpt #: 323 total cpu time spent up to now is 48.6 secs Computing kpt #: 324 total cpu time spent up to now is 48.8 secs Computing kpt #: 325 total cpu time spent up to now is 48.9 secs Computing kpt #: 326 total cpu time spent up to now is 49.1 secs Computing kpt #: 327 total cpu time spent up to now is 49.3 secs Computing kpt #: 328 total cpu time spent up to now is 49.4 secs Computing kpt #: 329 total cpu time spent up to now is 49.6 secs Computing kpt #: 330 total cpu time spent up to now is 49.7 secs Computing kpt #: 331 total cpu time spent up to now is 49.9 secs Computing kpt #: 332 total cpu time spent up to now is 50.0 secs Computing kpt #: 333 total cpu time spent up to now is 50.2 secs Computing kpt #: 334 total cpu time spent up to now is 50.4 secs Computing kpt #: 335 total cpu time spent up to now is 50.5 secs Computing kpt #: 336 total cpu time spent up to now is 50.7 secs Computing kpt #: 337 total cpu time spent up to now is 50.8 secs Computing kpt #: 338 total cpu time spent up to now is 51.0 secs Computing kpt #: 339 total cpu time spent up to now is 51.1 secs Computing kpt #: 340 total cpu time spent up to now is 51.3 secs Computing kpt #: 341 total cpu time spent up to now is 51.4 secs Computing kpt #: 342 total cpu time spent up to now is 51.6 secs Computing kpt #: 343 total cpu time spent up to now is 51.7 secs Computing kpt #: 344 total cpu time spent up to now is 51.9 secs Computing kpt #: 345 total cpu time spent up to now is 52.0 secs Computing kpt #: 346 total cpu time spent up to now is 52.2 secs Computing kpt #: 347 total cpu time spent up to now is 52.3 secs Computing kpt #: 348 total cpu time spent up to now is 52.5 secs Computing kpt #: 349 total cpu time spent up to now is 52.6 secs Computing kpt #: 350 total cpu time spent up to now is 52.8 secs Computing kpt #: 351 total cpu time spent up to now is 52.9 secs Computing kpt #: 352 total cpu time spent up to now is 53.1 secs Computing kpt #: 353 total cpu time spent up to now is 53.2 secs Computing kpt #: 354 total cpu time spent up to now is 53.4 secs Computing kpt #: 355 total cpu time spent up to now is 53.5 secs Computing kpt #: 356 total cpu time spent up to now is 53.7 secs Computing kpt #: 357 total cpu time spent up to now is 53.8 secs Computing kpt #: 358 total cpu time spent up to now is 54.0 secs Computing kpt #: 359 total cpu time spent up to now is 54.1 secs Computing kpt #: 360 total cpu time spent up to now is 54.3 secs Computing kpt #: 361 total cpu time spent up to now is 54.4 secs Computing kpt #: 362 total cpu time spent up to now is 54.6 secs Computing kpt #: 363 total cpu time spent up to now is 54.7 secs Computing kpt #: 364 total cpu time spent up to now is 54.8 secs Computing kpt #: 365 total cpu time spent up to now is 55.0 secs Computing kpt #: 366 total cpu time spent up to now is 55.1 secs Computing kpt #: 367 total cpu time spent up to now is 55.3 secs Computing kpt #: 368 total cpu time spent up to now is 55.4 secs Computing kpt #: 369 total cpu time spent up to now is 55.6 secs Computing kpt #: 370 total cpu time spent up to now is 55.7 secs Computing kpt #: 371 total cpu time spent up to now is 55.9 secs Computing kpt #: 372 total cpu time spent up to now is 56.0 secs Computing kpt #: 373 total cpu time spent up to now is 56.2 secs Computing kpt #: 374 total cpu time spent up to now is 56.3 secs Computing kpt #: 375 total cpu time spent up to now is 56.5 secs Computing kpt #: 376 total cpu time spent up to now is 56.6 secs Computing kpt #: 377 total cpu time spent up to now is 56.8 secs Computing kpt #: 378 total cpu time spent up to now is 57.0 secs Computing kpt #: 379 total cpu time spent up to now is 57.2 secs Computing kpt #: 380 total cpu time spent up to now is 57.4 secs Computing kpt #: 381 total cpu time spent up to now is 57.6 secs Computing kpt #: 382 total cpu time spent up to now is 57.8 secs Computing kpt #: 383 total cpu time spent up to now is 57.9 secs Computing kpt #: 384 total cpu time spent up to now is 58.1 secs Computing kpt #: 385 total cpu time spent up to now is 58.2 secs Computing kpt #: 386 total cpu time spent up to now is 58.3 secs Computing kpt #: 387 total cpu time spent up to now is 58.5 secs Computing kpt #: 388 total cpu time spent up to now is 58.6 secs Computing kpt #: 389 total cpu time spent up to now is 58.7 secs Computing kpt #: 390 total cpu time spent up to now is 58.9 secs Computing kpt #: 391 total cpu time spent up to now is 59.0 secs Computing kpt #: 392 total cpu time spent up to now is 59.1 secs Computing kpt #: 393 total cpu time spent up to now is 59.3 secs Computing kpt #: 394 total cpu time spent up to now is 59.4 secs Computing kpt #: 395 total cpu time spent up to now is 59.5 secs Computing kpt #: 396 total cpu time spent up to now is 59.7 secs Computing kpt #: 397 total cpu time spent up to now is 59.8 secs Computing kpt #: 398 total cpu time spent up to now is 59.9 secs Computing kpt #: 399 total cpu time spent up to now is 60.0 secs Computing kpt #: 400 total cpu time spent up to now is 60.2 secs Computing kpt #: 401 total cpu time spent up to now is 60.3 secs Computing kpt #: 402 total cpu time spent up to now is 60.4 secs Computing kpt #: 403 total cpu time spent up to now is 60.5 secs Computing kpt #: 404 total cpu time spent up to now is 60.7 secs Computing kpt #: 405 total cpu time spent up to now is 60.8 secs Computing kpt #: 406 total cpu time spent up to now is 60.9 secs Computing kpt #: 407 total cpu time spent up to now is 61.0 secs Computing kpt #: 408 total cpu time spent up to now is 61.2 secs Computing kpt #: 409 total cpu time spent up to now is 61.3 secs Computing kpt #: 410 total cpu time spent up to now is 61.4 secs Computing kpt #: 411 total cpu time spent up to now is 61.6 secs Computing kpt #: 412 total cpu time spent up to now is 61.7 secs Computing kpt #: 413 total cpu time spent up to now is 61.8 secs Computing kpt #: 414 total cpu time spent up to now is 62.0 secs Computing kpt #: 415 total cpu time spent up to now is 62.1 secs Computing kpt #: 416 total cpu time spent up to now is 62.2 secs Computing kpt #: 417 total cpu time spent up to now is 62.4 secs Computing kpt #: 418 total cpu time spent up to now is 62.5 secs Computing kpt #: 419 total cpu time spent up to now is 62.7 secs Computing kpt #: 420 total cpu time spent up to now is 62.8 secs Computing kpt #: 421 total cpu time spent up to now is 62.9 secs Computing kpt #: 422 total cpu time spent up to now is 63.1 secs Computing kpt #: 423 total cpu time spent up to now is 63.2 secs Computing kpt #: 424 total cpu time spent up to now is 63.4 secs Computing kpt #: 425 total cpu time spent up to now is 63.5 secs Computing kpt #: 426 total cpu time spent up to now is 63.7 secs Computing kpt #: 427 total cpu time spent up to now is 63.8 secs Computing kpt #: 428 total cpu time spent up to now is 64.0 secs Computing kpt #: 429 total cpu time spent up to now is 64.1 secs Computing kpt #: 430 total cpu time spent up to now is 64.4 secs Computing kpt #: 431 total cpu time spent up to now is 64.6 secs Computing kpt #: 432 total cpu time spent up to now is 64.9 secs Computing kpt #: 433 total cpu time spent up to now is 65.1 secs Computing kpt #: 434 total cpu time spent up to now is 65.3 secs Computing kpt #: 435 total cpu time spent up to now is 65.4 secs Computing kpt #: 436 total cpu time spent up to now is 65.6 secs Computing kpt #: 437 total cpu time spent up to now is 65.7 secs Computing kpt #: 438 total cpu time spent up to now is 65.9 secs Computing kpt #: 439 total cpu time spent up to now is 66.0 secs Computing kpt #: 440 total cpu time spent up to now is 66.2 secs ethr = 5.00E-08, avg # of iterations = 15.3 total cpu time spent up to now is 66.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1777 PWs) bands (ev): -8.1243 -8.1243 -5.1898 -5.1898 -1.7342 -1.7342 0.6784 0.6784 2.8086 2.8086 2.9692 2.9692 3.6928 3.6928 4.7744 4.7744 5.0552 5.0552 6.2829 6.2829 8.2729 8.2729 8.8236 8.8236 9.5255 9.5255 10.8034 10.8034 k = 0.0052 0.0164-0.0000 ( 1781 PWs) bands (ev): -8.1230 -8.1230 -5.1885 -5.1885 -1.7349 -1.7349 0.6796 0.6796 2.8097 2.8097 2.9660 2.9660 3.6845 3.6845 4.7750 4.7750 5.0490 5.0490 6.2844 6.2844 8.2741 8.2741 8.8345 8.8345 9.5372 9.5372 10.7958 10.7958 k = 0.0104 0.0328-0.0000 ( 1781 PWs) bands (ev): -8.1192 -8.1192 -5.1845 -5.1845 -1.7370 -1.7370 0.6829 0.6829 2.8130 2.8130 2.9565 2.9565 3.6601 3.6601 4.7770 4.7770 5.0305 5.0305 6.2887 6.2887 8.2779 8.2779 8.8670 8.8670 9.5720 9.5720 10.7734 10.7734 k = 0.0156 0.0492-0.0000 ( 1777 PWs) bands (ev): -8.1127 -8.1127 -5.1779 -5.1779 -1.7406 -1.7406 0.6885 0.6885 2.8184 2.8184 2.9404 2.9404 3.6202 3.6202 4.7801 4.7801 5.0010 5.0010 6.2955 6.2955 8.2841 8.2841 8.9206 8.9206 9.6289 9.6289 10.7366 10.7366 k = 0.0208 0.0656-0.0000 ( 1781 PWs) bands (ev): -8.1037 -8.1037 -5.1686 -5.1686 -1.7456 -1.7456 0.6964 0.6964 2.8260 2.8260 2.9172 2.9172 3.5664 3.5664 4.7844 4.7844 4.9623 4.9623 6.3042 6.3042 8.2928 8.2928 8.9945 8.9945 9.7065 9.7065 10.6864 10.6864 k = 0.0259 0.0820-0.0000 ( 1777 PWs) bands (ev): -8.0921 -8.0921 -5.1567 -5.1567 -1.7523 -1.7523 0.7064 0.7064 2.8357 2.8357 2.8866 2.8866 3.5004 3.5004 4.7895 4.7895 4.9167 4.9167 6.3142 6.3142 8.3039 8.3039 9.0876 9.0876 9.8029 9.8029 10.6238 10.6238 k = 0.0311 0.0984-0.0000 ( 1785 PWs) bands (ev): -8.0779 -8.0779 -5.1422 -5.1422 -1.7607 -1.7607 0.7187 0.7187 2.8461 2.8461 2.8492 2.8492 3.4240 3.4240 4.7944 4.7944 4.8677 4.8677 6.3249 6.3249 8.3175 8.3175 9.1987 9.1987 9.9161 9.9161 10.5503 10.5503 k = 0.0363 0.1148-0.0000 ( 1789 PWs) bands (ev): -8.0611 -8.0611 -5.1250 -5.1250 -1.7710 -1.7710 0.7332 0.7332 2.7999 2.7999 2.8618 2.8618 3.3392 3.3392 4.7898 4.7898 4.8271 4.8271 6.3358 6.3358 8.3336 8.3336 9.3265 9.3265 10.0437 10.0437 10.4671 10.4671 k = 0.0415 0.1312-0.0000 ( 1789 PWs) bands (ev): -8.0418 -8.0418 -5.1052 -5.1052 -1.7834 -1.7834 0.7499 0.7499 2.7428 2.7428 2.8778 2.8778 3.2479 3.2479 4.7502 4.7502 4.8225 4.8225 6.3464 6.3464 8.3522 8.3522 9.4694 9.4694 10.1832 10.1832 10.3761 10.3761 k = 0.0467 0.1476-0.0000 ( 1789 PWs) bands (ev): -8.0199 -8.0199 -5.0827 -5.0827 -1.7981 -1.7981 0.7688 0.7688 2.6759 2.6759 2.8959 2.8959 3.1520 3.1520 4.7009 4.7009 4.8306 4.8306 6.3564 6.3564 8.3732 8.3732 9.6262 9.6262 10.2724 10.2724 10.3383 10.3383 k = 0.0519 0.1640-0.0000 ( 1785 PWs) bands (ev): -7.9954 -7.9954 -5.0576 -5.0576 -1.8153 -1.8153 0.7899 0.7899 2.5989 2.5989 2.9156 2.9156 3.0535 3.0535 4.6540 4.6540 4.8411 4.8411 6.3655 6.3655 8.3967 8.3967 9.7952 9.7952 10.1712 10.1712 10.4925 10.4925 k = 0.0571 0.1804-0.0000 ( 1788 PWs) bands (ev): -7.9684 -7.9684 -5.0299 -5.0299 -1.8353 -1.8353 0.8131 0.8131 2.5117 2.5117 2.9298 2.9298 2.9610 2.9610 4.6116 4.6116 4.8530 4.8530 6.3735 6.3735 8.4226 8.4226 9.9751 9.9751 10.0627 10.0627 10.6537 10.6537 k = 0.0623 0.1968-0.0000 ( 1792 PWs) bands (ev): -7.9388 -7.9388 -4.9995 -4.9995 -1.8584 -1.8584 0.8384 0.8384 2.4146 2.4146 2.8485 2.8485 2.9660 2.9660 4.5751 4.5751 4.8656 4.8656 6.3804 6.3804 8.4510 8.4510 9.9507 9.9507 10.1645 10.1645 10.8153 10.8153 k = 0.0675 0.2132-0.0000 ( 1792 PWs) bands (ev): -7.9066 -7.9066 -4.9665 -4.9665 -1.8848 -1.8848 0.8658 0.8658 2.3081 2.3081 2.7497 2.7497 2.9916 2.9916 4.5448 4.5448 4.8790 4.8790 6.3860 6.3860 8.4817 8.4817 9.8363 9.8363 10.3619 10.3619 10.9700 10.9700 k = 0.0726 0.2296-0.0000 ( 1794 PWs) bands (ev): -7.8720 -7.8720 -4.9309 -4.9309 -1.9148 -1.9148 0.8953 0.8953 2.1930 2.1930 2.6524 2.6524 3.0198 3.0198 4.5211 4.5211 4.8927 4.8927 6.3902 6.3902 8.5149 8.5149 9.7204 9.7204 10.5658 10.5658 11.1029 11.1029 k = 0.0778 0.2460-0.0000 ( 1792 PWs) bands (ev): -7.8348 -7.8348 -4.8927 -4.8927 -1.9487 -1.9487 0.9269 0.9269 2.0701 2.0701 2.5582 2.5582 3.0502 3.0502 4.5036 4.5036 4.9067 4.9067 6.3929 6.3929 8.5505 8.5505 9.6042 9.6042 10.7739 10.7739 11.1800 11.1800 k = 0.0830 0.2624-0.0000 ( 1790 PWs) bands (ev): -7.7950 -7.7950 -4.8518 -4.8518 -1.9868 -1.9868 0.9605 0.9605 1.9403 1.9403 2.4680 2.4680 3.0824 3.0824 4.4920 4.4920 4.9207 4.9207 6.3940 6.3940 8.5885 8.5885 9.4882 9.4882 10.9833 10.9833 11.1592 11.1592 k = 0.0882 0.2788-0.0000 ( 1790 PWs) bands (ev): -7.7527 -7.7527 -4.8084 -4.8084 -2.0294 -2.0294 0.9961 0.9961 1.8046 1.8046 2.3827 2.3827 3.1166 3.1166 4.4860 4.4860 4.9345 4.9345 6.3935 6.3935 8.6289 8.6289 9.3735 9.3735 11.0562 11.0562 11.1864 11.1864 k = 0.0934 0.2952-0.0000 ( 1794 PWs) bands (ev): -7.7080 -7.7080 -4.7623 -4.7623 -2.0766 -2.0766 1.0335 1.0335 1.6638 1.6638 2.3030 2.3030 3.1526 3.1526 4.4850 4.4850 4.9477 4.9477 6.3913 6.3913 8.6715 8.6715 9.2607 9.2607 10.9161 10.9161 11.1048 11.1048 k = 0.0986 0.3116-0.0000 ( 1802 PWs) bands (ev): -7.6607 -7.6607 -4.7137 -4.7137 -2.1286 -2.1286 1.0729 1.0729 1.5188 1.5188 2.2293 2.2293 3.1903 3.1903 4.4883 4.4883 4.9603 4.9603 6.3872 6.3872 8.7165 8.7165 9.1505 9.1505 10.7619 10.7619 10.9647 10.9647 k = 0.1038 0.3280-0.0000 ( 1798 PWs) bands (ev): -7.6109 -7.6109 -4.6624 -4.6624 -2.1855 -2.1855 1.1141 1.1141 1.3704 1.3704 2.1622 2.1622 3.2297 3.2297 4.4956 4.4956 4.9717 4.9717 6.3811 6.3811 8.7637 8.7637 9.0439 9.0439 10.6029 10.6029 10.8245 10.8245 k = 0.1090 0.3444-0.0000 ( 1798 PWs) bands (ev): -7.5586 -7.5586 -4.6086 -4.6086 -2.2475 -2.2475 1.1570 1.1570 1.2194 1.2194 2.1020 2.1020 3.2707 3.2707 4.5063 4.5063 4.9818 4.9818 6.3729 6.3729 8.8125 8.8125 8.9420 8.9420 10.4430 10.4430 10.6849 10.6849 k = 0.1142 0.3608-0.0000 ( 1798 PWs) bands (ev): -7.5039 -7.5039 -4.5521 -4.5521 -2.3146 -2.3146 1.0659 1.0659 1.2019 1.2019 2.0489 2.0489 3.3133 3.3133 4.5198 4.5198 4.9902 4.9902 6.3626 6.3626 8.8356 8.8356 8.8728 8.8728 10.2840 10.2840 10.5462 10.5462 k = 0.1193 0.3773-0.0000 ( 1798 PWs) bands (ev): -7.4467 -7.4467 -4.4931 -4.4931 -2.3866 -2.3866 0.9110 0.9110 1.2481 1.2481 2.0032 2.0032 3.3572 3.3572 4.5356 4.5356 4.9965 4.9965 6.3499 6.3499 8.7485 8.7485 8.9215 8.9215 10.1271 10.1271 10.4088 10.4088 k = 0.1245 0.3937-0.0000 ( 1796 PWs) bands (ev): -7.3870 -7.3870 -4.4315 -4.4315 -2.4634 -2.4634 0.7550 0.7550 1.2960 1.2960 1.9649 1.9649 3.4026 3.4026 4.5534 4.5534 5.0003 5.0003 6.3348 6.3348 8.6625 8.6625 8.9772 8.9772 9.9732 9.9732 10.2730 10.2730 k = 0.1297 0.4101-0.0000 ( 1800 PWs) bands (ev): -7.3249 -7.3249 -4.3674 -4.3674 -2.5450 -2.5450 0.5983 0.5983 1.3452 1.3452 1.9338 1.9338 3.4491 3.4491 4.5727 4.5727 5.0014 5.0014 6.3171 6.3171 8.5829 8.5829 9.0353 9.0353 9.8228 9.8228 10.1392 10.1392 k = 0.1349 0.4265-0.0000 ( 1800 PWs) bands (ev): -7.2604 -7.2604 -4.3007 -4.3007 -2.6310 -2.6310 0.4413 0.4413 1.3958 1.3958 1.9100 1.9100 3.4967 3.4967 4.5929 4.5929 4.9995 4.9995 6.2969 6.2969 8.5104 8.5104 9.0954 9.0954 9.6764 9.6764 10.0078 10.0078 k = 0.1401 0.4429-0.0000 ( 1800 PWs) bands (ev): -7.1935 -7.1935 -4.2315 -4.2315 -2.7212 -2.7212 0.2842 0.2842 1.4476 1.4476 1.8932 1.8932 3.5454 3.5454 4.6137 4.6137 4.9942 4.9942 6.2740 6.2740 8.4458 8.4458 9.1569 9.1569 9.5345 9.5345 9.8795 9.8795 k = 0.1453 0.4593-0.0000 ( 1800 PWs) bands (ev): -7.1242 -7.1242 -4.1597 -4.1597 -2.8154 -2.8154 0.1273 0.1273 1.5005 1.5005 1.8831 1.8831 3.5948 3.5948 4.6346 4.6346 4.9854 4.9854 6.2484 6.2484 8.3894 8.3894 9.2190 9.2190 9.3976 9.3976 9.7554 9.7554 k = 0.1505 0.4757-0.0000 ( 1808 PWs) bands (ev): -7.0526 -7.0526 -4.0855 -4.0855 -2.9130 -2.9130 -0.0290 -0.0290 1.5543 1.5543 1.8796 1.8796 3.6449 3.6449 4.6551 4.6551 4.9729 4.9729 6.2201 6.2201 8.3418 8.3418 9.2616 9.2616 9.2840 9.2840 9.6380 9.6380 k = 0.1557 0.4921-0.0000 ( 1814 PWs) bands (ev): -6.9785 -6.9785 -4.0087 -4.0087 -3.0139 -3.0139 -0.1847 -0.1847 1.6087 1.6087 1.8823 1.8823 3.6954 3.6954 4.6746 4.6746 4.9567 4.9567 6.1891 6.1891 8.3032 8.3032 9.1392 9.1392 9.3290 9.3290 9.5380 9.5380 k = 0.1609 0.5085-0.0000 ( 1810 PWs) bands (ev): -6.9022 -6.9022 -3.9293 -3.9293 -3.1176 -3.1176 -0.3395 -0.3395 1.6637 1.6637 1.8908 1.8908 3.7462 3.7462 4.6929 4.6929 4.9369 4.9369 6.1555 6.1555 8.2740 8.2740 9.0197 9.0197 9.3197 9.3197 9.5014 9.5014 k = 0.1661 0.5249-0.0000 ( 1810 PWs) bands (ev): -6.8236 -6.8236 -3.8476 -3.8476 -3.2238 -3.2238 -0.4933 -0.4933 1.7189 1.7189 1.9047 1.9047 3.7971 3.7971 4.7092 4.7092 4.9137 4.9137 6.1194 6.1194 8.2540 8.2540 8.9068 8.9068 9.2373 9.2373 9.5439 9.5439 k = 0.1712 0.5413-0.0000 ( 1814 PWs) bands (ev): -6.7426 -6.7426 -3.7633 -3.7633 -3.3322 -3.3322 -0.6459 -0.6459 1.7741 1.7741 1.9238 1.9238 3.8477 3.8477 4.7230 4.7230 4.8875 4.8875 6.0809 6.0809 8.2435 8.2435 8.8010 8.8010 9.1368 9.1368 9.6106 9.6106 k = 0.1764 0.5577-0.0000 ( 1814 PWs) bands (ev): -6.6595 -6.6595 -3.6766 -3.6766 -3.4424 -3.4424 -0.7972 -0.7972 1.8290 1.8290 1.9475 1.9475 3.8978 3.8978 4.7339 4.7339 4.8587 4.8587 6.0401 6.0401 8.2423 8.2423 8.7029 8.7029 9.0355 9.0355 9.6848 9.6848 k = 0.1816 0.5741-0.0000 ( 1810 PWs) bands (ev): -6.5740 -6.5740 -3.5875 -3.5875 -3.5540 -3.5540 -0.9471 -0.9471 1.8831 1.8831 1.9755 1.9755 3.9472 3.9472 4.7413 4.7413 4.8281 4.8281 5.9974 5.9974 8.2501 8.2501 8.6130 8.6130 8.9372 8.9372 9.7628 9.7628 k = 0.1868 0.5905-0.0000 ( 1814 PWs) bands (ev): -6.4864 -6.4864 -3.6670 -3.6670 -3.4957 -3.4957 -1.0954 -1.0954 1.9361 1.9361 2.0075 2.0075 3.9954 3.9954 4.7447 4.7447 4.7962 4.7962 5.9530 5.9530 8.2667 8.2667 8.5317 8.5317 8.8432 8.8432 9.8436 9.8436 k = 0.1920 0.6069-0.0000 ( 1810 PWs) bands (ev): -6.3967 -6.3967 -3.7807 -3.7807 -3.4017 -3.4017 -1.2421 -1.2421 1.9876 1.9876 2.0429 2.0429 4.0422 4.0422 4.7434 4.7434 4.7640 4.7640 5.9072 5.9072 8.2918 8.2918 8.4595 8.4595 8.7544 8.7544 9.9055 9.9055 k = 0.1972 0.6233-0.0000 ( 1810 PWs) bands (ev): -6.3048 -6.3048 -3.8951 -3.8951 -3.3053 -3.3053 -1.3871 -1.3871 2.0370 2.0370 2.0813 2.0813 4.0871 4.0871 4.7315 4.7315 4.7380 4.7380 5.8603 5.8603 8.3249 8.3249 8.3968 8.3968 8.6714 8.6714 9.8150 9.8150 k = 0.2024 0.6397-0.0000 ( 1810 PWs) bands (ev): -6.2108 -6.2108 -4.0099 -4.0099 -3.2065 -3.2065 -1.5304 -1.5304 2.0839 2.0839 2.1223 2.1223 4.1298 4.1298 4.7016 4.7016 4.7262 4.7262 5.8127 5.8127 8.3427 8.3427 8.3669 8.3669 8.5948 8.5948 9.7263 9.7263 k = 0.2076 0.6561-0.0000 ( 1794 PWs) bands (ev): -6.1148 -6.1148 -4.1247 -4.1247 -3.1053 -3.1053 -1.6717 -1.6717 2.1278 2.1278 2.1653 2.1653 4.1699 4.1699 4.6739 4.6739 4.7092 4.7092 5.7649 5.7649 8.3000 8.3000 8.4145 8.4145 8.5251 8.5251 9.6393 9.6393 k = 0.2128 0.6725-0.0000 ( 1796 PWs) bands (ev): -6.0167 -6.0167 -4.2395 -4.2395 -3.0018 -3.0018 -1.8112 -1.8112 2.1681 2.1681 2.2098 2.2098 4.2070 4.2070 4.6496 4.6496 4.6865 4.6865 5.7174 5.7174 8.2668 8.2668 8.4627 8.4627 8.4697 8.4697 9.5538 9.5538 k = 0.2179 0.6889-0.0000 ( 1792 PWs) bands (ev): -5.9167 -5.9167 -4.3541 -4.3541 -2.8960 -2.8960 -1.9487 -1.9487 2.2041 2.2041 2.2554 2.2554 4.2406 4.2406 4.6299 4.6299 4.6582 4.6582 5.6706 5.6706 8.2434 8.2434 8.4083 8.4083 8.5313 8.5313 9.4696 9.4696 k = 0.2231 0.7053-0.0000 ( 1796 PWs) bands (ev): -5.8148 -5.8148 -4.4681 -4.4681 -2.7879 -2.7879 -2.0842 -2.0842 2.2350 2.2350 2.3018 2.3018 4.2703 4.2703 4.6147 4.6147 4.6251 4.6251 5.6250 5.6250 8.2297 8.2297 8.3621 8.3621 8.5991 8.5991 9.3868 9.3868 k = 0.2283 0.7217-0.0000 ( 1792 PWs) bands (ev): -5.7110 -5.7110 -4.5816 -4.5816 -2.6775 -2.6775 -2.2177 -2.2177 2.2604 2.2604 2.3484 2.3484 4.2959 4.2959 4.5830 4.5830 4.6094 4.6094 5.5813 5.5813 8.2254 8.2254 8.3247 8.3247 8.6726 8.6726 9.3052 9.3052 k = 0.2335 0.7381-0.0000 ( 1794 PWs) bands (ev): -5.6054 -5.6054 -4.6942 -4.6942 -2.5650 -2.5650 -2.3490 -2.3490 2.2798 2.2798 2.3946 2.3946 4.3169 4.3169 4.5383 4.5383 4.6088 4.6088 5.5401 5.5401 8.2299 8.2299 8.2963 8.2963 8.7517 8.7517 9.2249 9.2249 k = 0.2387 0.7545-0.0000 ( 1792 PWs) bands (ev): -5.4982 -5.4982 -4.8060 -4.8060 -2.4782 -2.4782 -2.4502 -2.4502 2.2929 2.2929 2.4400 2.4400 4.3331 4.3331 4.4884 4.4884 4.6163 4.6163 5.5018 5.5018 8.2427 8.2427 8.2774 8.2774 8.8358 8.8358 9.1457 9.1458 k = 0.2439 0.7709-0.0000 ( 1788 PWs) bands (ev): -5.3892 -5.3892 -4.9166 -4.9166 -2.6052 -2.6052 -2.3332 -2.3332 2.2996 2.2996 2.4838 2.4838 4.3444 4.3444 4.4340 4.4340 4.6320 4.6320 5.4673 5.4673 8.2627 8.2627 8.2685 8.2685 8.9247 8.9247 9.0679 9.0679 k = 0.2491 0.7873-0.0000 ( 1790 PWs) bands (ev): -5.2787 -5.2787 -5.0261 -5.0261 -2.7301 -2.7301 -2.2142 -2.2142 2.3000 2.3000 2.5255 2.5255 4.3505 4.3505 4.3755 4.3755 4.6563 4.6563 5.4371 5.4371 8.2683 8.2683 8.2906 8.2906 8.9902 8.9902 9.0194 9.0194 k = 0.2543 0.8037-0.0000 ( 1786 PWs) bands (ev): -5.1666 -5.1666 -5.1344 -5.1344 -2.8526 -2.8526 -2.0931 -2.0931 2.2944 2.2944 2.5644 2.5644 4.3134 4.3134 4.3517 4.3517 4.6889 4.6889 5.4118 5.4118 8.2785 8.2785 8.3236 8.3236 8.9157 8.9157 9.1165 9.1165 k = 0.2595 0.8201-0.0000 ( 1782 PWs) bands (ev): -5.2412 -5.2412 -5.0532 -5.0532 -2.9729 -2.9729 -1.9699 -1.9699 2.2832 2.2832 2.5999 2.5999 4.2482 4.2482 4.3478 4.3478 4.7298 4.7298 5.3921 5.3921 8.2985 8.2985 8.3616 8.3616 8.8421 8.8421 9.2185 9.2185 k = 0.2646 0.8365-0.0000 ( 1782 PWs) bands (ev): -5.3466 -5.3466 -4.9384 -4.9384 -3.0909 -3.0909 -1.8448 -1.8448 2.2669 2.2669 2.6315 2.6315 4.1805 4.1805 4.3390 4.3390 4.7785 4.7785 5.3786 5.3786 8.3281 8.3281 8.4031 8.4031 8.7700 8.7700 9.3244 9.3244 k = 0.2698 0.8529-0.0000 ( 1782 PWs) bands (ev): -5.4504 -5.4504 -4.8225 -4.8225 -3.2066 -3.2066 -1.7178 -1.7178 2.2463 2.2463 2.6586 2.6586 4.1107 4.1107 4.3257 4.3257 4.8346 4.8346 5.3716 5.3716 8.3671 8.3671 8.4470 8.4470 8.6998 8.6998 9.4340 9.4340 k = 0.2750 0.8693-0.0000 ( 1782 PWs) bands (ev): -5.5526 -5.5526 -4.7054 -4.7054 -3.3199 -3.3199 -1.5889 -1.5889 2.2220 2.2220 2.6808 2.6808 4.0392 4.0392 4.3081 4.3081 4.8975 4.8975 5.3716 5.3716 8.4151 8.4151 8.4915 8.4915 8.6317 8.6317 9.5471 9.5471 k = 0.2750 0.8693-0.0000 ( 1782 PWs) bands (ev): -5.5526 -5.5526 -4.7054 -4.7054 -3.3199 -3.3199 -1.5889 -1.5889 2.2220 2.2220 2.6808 2.6808 4.0392 4.0392 4.3081 4.3081 4.8975 4.8975 5.3716 5.3716 8.4151 8.4151 8.4915 8.4915 8.6317 8.6317 9.5471 9.5471 k = 0.2578 0.8693-0.0000 ( 1784 PWs) bands (ev): -5.5226 -5.5226 -4.7404 -4.7404 -3.2846 -3.2846 -1.6293 -1.6293 2.2301 2.2301 2.6736 2.6736 4.0615 4.0615 4.3150 4.3150 4.8785 4.8785 5.3688 5.3688 8.4014 8.4014 8.4623 8.4623 8.6685 8.6685 9.5096 9.5096 k = 0.2406 0.8693-0.0000 ( 1784 PWs) bands (ev): -5.4937 -5.4937 -4.7744 -4.7744 -3.2463 -3.2463 -1.6723 -1.6723 2.2388 2.2388 2.6643 2.6643 4.0848 4.0848 4.3236 4.3236 4.8615 4.8615 5.3628 5.3628 8.3921 8.3921 8.4211 8.4211 8.7186 8.7186 9.4663 9.4663 k = 0.2235 0.8693-0.0000 ( 1786 PWs) bands (ev): -5.4659 -5.4659 -4.8075 -4.8075 -3.2052 -3.2052 -1.7177 -1.7177 2.2483 2.2483 2.6531 2.6531 4.1087 4.1087 4.3338 4.3338 4.8466 4.8466 5.3534 5.3534 8.3785 8.3785 8.3892 8.3892 8.7686 8.7686 9.4175 9.4175 k = 0.2063 0.8693-0.0000 ( 1792 PWs) bands (ev): -5.4392 -5.4392 -4.8397 -4.8397 -3.1612 -3.1612 -1.7656 -1.7656 2.2584 2.2584 2.6403 2.6403 4.1330 4.1330 4.3451 4.3451 4.8340 4.8340 5.3405 5.3405 8.3435 8.3435 8.3877 8.3877 8.8142 8.8142 9.3639 9.3639 k = 0.1891 0.8693-0.0000 ( 1790 PWs) bands (ev): -5.4133 -5.4133 -4.8709 -4.8709 -3.1145 -3.1145 -1.8159 -1.8159 2.2693 2.2693 2.6261 2.6261 4.1572 4.1572 4.3571 4.3571 4.8240 4.8240 5.3242 5.3242 8.3136 8.3136 8.3913 8.3913 8.8531 8.8531 9.3062 9.3062 k = 0.1719 0.8693-0.0000 ( 1792 PWs) bands (ev): -5.3883 -5.3883 -4.9012 -4.9012 -3.0652 -3.0652 -1.8683 -1.8683 2.2810 2.2810 2.6108 2.6108 4.1813 4.1813 4.3692 4.3692 4.8170 4.8170 5.3044 5.3044 8.2907 8.2907 8.3988 8.3988 8.8841 8.8841 9.2453 9.2453 k = 0.1547 0.8693-0.0000 ( 1792 PWs) bands (ev): -5.3640 -5.3640 -4.9305 -4.9305 -3.0136 -3.0136 -1.9229 -1.9229 2.2934 2.2934 2.5946 2.5946 4.2050 4.2050 4.3809 4.3809 4.8135 4.8135 5.2814 5.2814 8.2752 8.2752 8.4096 8.4096 8.9064 8.9064 9.1824 9.1824 k = 0.1375 0.8693-0.0000 ( 1792 PWs) bands (ev): -5.3404 -5.3404 -4.9590 -4.9590 -2.9597 -2.9597 -1.9793 -1.9793 2.3066 2.3066 2.5777 2.5777 4.2281 4.2281 4.3912 4.3912 4.8139 4.8139 5.2552 5.2552 8.2674 8.2674 8.4231 8.4231 8.9198 8.9198 9.1186 9.1186 k = 0.1203 0.8693-0.0000 ( 1794 PWs) bands (ev): -5.3172 -5.3172 -4.9867 -4.9867 -2.9038 -2.9038 -2.0375 -2.0375 2.3205 2.3205 2.5603 2.5603 4.2504 4.2504 4.3996 4.3996 4.8189 4.8189 5.2262 5.2262 8.2673 8.2673 8.4385 8.4385 8.9247 8.9247 9.0555 9.0555 k = 0.1031 0.8693-0.0000 ( 1796 PWs) bands (ev): -5.2945 -5.2945 -5.0135 -5.0135 -2.8460 -2.8460 -2.0971 -2.0971 2.3351 2.3351 2.5425 2.5425 4.2720 4.2720 4.4053 4.4053 4.8288 4.8288 5.1947 5.1947 8.2746 8.2746 8.4544 8.4544 8.9216 8.9216 8.9950 8.9950 k = 0.0859 0.8693-0.0000 ( 1798 PWs) bands (ev): -5.2721 -5.2721 -5.0395 -5.0395 -2.7867 -2.7867 -2.1581 -2.1581 2.3503 2.3503 2.5244 2.5244 4.2925 4.2925 4.4080 4.4080 4.8437 4.8437 5.1611 5.1611 8.2890 8.2890 8.4689 8.4689 8.9113 8.9113 8.9398 8.9398 k = 0.0688 0.8693-0.0000 ( 1794 PWs) bands (ev): -5.2498 -5.2498 -5.0649 -5.0649 -2.7260 -2.7260 -2.2201 -2.2201 2.3661 2.3661 2.5062 2.5062 4.3120 4.3120 4.4074 4.4074 4.8634 4.8634 5.1259 5.1259 8.3097 8.3097 8.4794 8.4794 8.8869 8.8869 8.9013 8.9013 k = 0.0516 0.8693-0.0000 ( 1795 PWs) bands (ev): -5.2276 -5.2276 -5.0895 -5.0895 -2.6641 -2.6641 -2.2830 -2.2830 2.3824 2.3824 2.4880 2.4880 4.3303 4.3303 4.4037 4.4037 4.8877 4.8877 5.0897 5.0897 8.3359 8.3359 8.4825 8.4825 8.8521 8.8521 8.8812 8.8812 k = 0.0344 0.8693-0.0000 ( 1796 PWs) bands (ev): -5.2053 -5.2053 -5.1136 -5.1136 -2.6014 -2.6014 -2.3465 -2.3465 2.3992 2.3992 2.4698 2.4698 4.3471 4.3471 4.3970 4.3970 4.9159 4.9159 5.0530 5.0530 8.3660 8.3660 8.4752 8.4752 8.8301 8.8301 8.8614 8.8614 k = 0.0172 0.8693-0.0000 ( 1794 PWs) bands (ev): -5.1829 -5.1829 -5.1371 -5.1371 -2.5380 -2.5380 -2.4103 -2.4103 2.4164 2.4164 2.4518 2.4518 4.3625 4.3625 4.3877 4.3877 4.9473 4.9473 5.0166 5.0166 8.3983 8.3983 8.4568 8.4568 8.8231 8.8231 8.8429 8.8429 k = 0.0000 0.8693-0.0000 ( 1796 PWs) bands (ev): -5.1602 -5.1602 -5.1602 -5.1602 -2.4742 -2.4742 -2.4742 -2.4742 2.4339 2.4339 2.4339 2.4339 4.3761 4.3761 4.3761 4.3761 4.9811 4.9811 4.9811 4.9811 8.4298 8.4298 8.4298 8.4298 8.8288 8.8288 8.8288 8.8288 k = 0.0000 0.8693-0.0000 ( 1796 PWs) bands (ev): -5.1602 -5.1602 -5.1602 -5.1602 -2.4742 -2.4742 -2.4742 -2.4742 2.4339 2.4339 2.4339 2.4339 4.3761 4.3761 4.3761 4.3761 4.9811 4.9811 4.9811 4.9811 8.4298 8.4298 8.4298 8.4298 8.8288 8.8288 8.8288 8.8288 k = 0.0000 0.8693 0.0174 ( 1798 PWs) bands (ev): -5.1595 -5.1595 -5.1594 -5.1594 -2.4746 -2.4746 -2.4744 -2.4744 2.4304 2.4304 2.4316 2.4316 4.3672 4.3672 4.3702 4.3702 4.9856 4.9856 4.9892 4.9892 8.4183 8.4183 8.4208 8.4208 8.8481 8.8481 8.8500 8.8500 k = 0.0000 0.8693 0.0349 ( 1792 PWs) bands (ev): -5.1575 -5.1575 -5.1572 -5.1572 -2.4754 -2.4754 -2.4750 -2.4750 2.4211 2.4211 2.4236 2.4236 4.3446 4.3446 4.3501 4.3501 5.0019 5.0019 5.0088 5.0088 8.3926 8.3926 8.3969 8.3969 8.9022 8.9022 8.9053 8.9053 k = 0.0000 0.8693 0.0523 ( 1794 PWs) bands (ev): -5.1540 -5.1540 -5.1536 -5.1536 -2.4766 -2.4766 -2.4760 -2.4760 2.4064 2.4064 2.4100 2.4100 4.3106 4.3106 4.3182 4.3182 5.0276 5.0276 5.0371 5.0371 8.3634 8.3634 8.3688 8.3688 8.9805 8.9805 8.9841 8.9841 k = 0.0000 0.8693 0.0698 ( 1792 PWs) bands (ev): -5.1491 -5.1491 -5.1486 -5.1486 -2.4783 -2.4783 -2.4776 -2.4776 2.3864 2.3864 2.3912 2.3912 4.2678 4.2678 4.2769 4.2769 5.0597 5.0597 5.0713 5.0713 8.3382 8.3382 8.3443 8.3443 9.0748 9.0748 9.0786 9.0786 k = 0.0000 0.8693 0.0872 ( 1794 PWs) bands (ev): -5.1429 -5.1429 -5.1423 -5.1423 -2.4806 -2.4806 -2.4796 -2.4796 2.3617 2.3617 2.3676 2.3676 4.2183 4.2183 4.2286 4.2286 5.0956 5.0956 5.1088 5.1088 8.3214 8.3214 8.3281 8.3281 9.1803 9.1803 9.1840 9.1840 k = 0.0000 0.8693 0.1046 ( 1794 PWs) bands (ev): -5.1353 -5.1353 -5.1346 -5.1346 -2.4833 -2.4833 -2.4822 -2.4822 2.3329 2.3329 2.3398 2.3398 4.1638 4.1638 4.1750 4.1750 5.1329 5.1329 5.1475 5.1475 8.3154 8.3154 8.3225 8.3225 9.2940 9.2940 9.2975 9.2975 k = 0.0000 0.8693 0.1221 ( 1784 PWs) bands (ev): -5.1264 -5.1264 -5.1255 -5.1255 -2.4867 -2.4867 -2.4853 -2.4853 2.3006 2.3006 2.3084 2.3084 4.1054 4.1054 4.1171 4.1171 5.1702 5.1702 5.1860 5.1860 8.3216 8.3216 8.3291 8.3291 9.4134 9.4134 9.4167 9.4167 k = 0.0000 0.8693 0.1395 ( 1788 PWs) bands (ev): -5.1162 -5.1162 -5.1152 -5.1152 -2.4906 -2.4906 -2.4891 -2.4891 2.2653 2.2653 2.2740 2.2740 4.0436 4.0436 4.0559 4.0559 5.2065 5.2065 5.2231 5.2231 8.3408 8.3408 8.3486 8.3486 9.5363 9.5363 9.5394 9.5394 k = 0.0000 0.8693 0.1570 ( 1786 PWs) bands (ev): -5.1048 -5.1048 -5.1037 -5.1037 -2.4951 -2.4951 -2.4935 -2.4935 2.2279 2.2279 2.2373 2.2373 3.9790 3.9790 3.9918 3.9918 5.2409 5.2409 5.2583 5.2583 8.3731 8.3731 8.3813 8.3813 9.6603 9.6603 9.6630 9.6630 k = 0.0000 0.8693 0.1744 ( 1786 PWs) bands (ev): -5.0922 -5.0922 -5.0909 -5.0909 -2.5004 -2.5004 -2.4985 -2.4985 2.1889 2.1889 2.1991 2.1991 3.9120 3.9120 3.9251 3.9251 5.2731 5.2731 5.2912 5.2912 8.4185 8.4185 8.4270 8.4270 9.7818 9.7818 9.7841 9.7841 k = 0.0000 0.8693 0.1918 ( 1786 PWs) bands (ev): -5.0784 -5.0784 -5.0770 -5.0770 -2.5063 -2.5063 -2.5043 -2.5043 2.1491 2.1491 2.1600 2.1600 3.8427 3.8427 3.8560 3.8560 5.3030 5.3030 5.3216 5.3216 8.4764 8.4764 8.4853 8.4853 9.8954 9.8954 9.8973 9.8973 k = 0.0000 0.8693 0.2093 ( 1790 PWs) bands (ev): -5.0636 -5.0636 -5.0621 -5.0621 -2.5129 -2.5129 -2.5108 -2.5108 2.1092 2.1092 2.1206 2.1206 3.7713 3.7713 3.7849 3.7849 5.3307 5.3307 5.3497 5.3497 8.5461 8.5461 8.5554 8.5554 9.9930 9.9930 9.9943 9.9943 k = 0.0000 0.8693 0.2267 ( 1790 PWs) bands (ev): -5.0478 -5.0478 -5.0461 -5.0461 -2.5204 -2.5204 -2.5181 -2.5181 2.0696 2.0696 2.0817 2.0817 3.6980 3.6980 3.7118 3.7118 5.3562 5.3562 5.3756 5.3756 8.6266 8.6266 8.6364 8.6364 10.0646 10.0646 10.0654 10.0654 k = 0.0000 0.8693 0.2442 ( 1792 PWs) bands (ev): -5.0310 -5.0310 -5.0292 -5.0292 -2.5286 -2.5286 -2.5262 -2.5262 2.0312 2.0312 2.0436 2.0436 3.6231 3.6231 3.6371 3.6371 5.3800 5.3800 5.3996 5.3996 8.7166 8.7166 8.7270 8.7270 10.1037 10.1037 10.1044 10.1044 k = 0.0000 0.8693 0.2616 ( 1800 PWs) bands (ev): -5.0134 -5.0134 -5.0114 -5.0114 -2.5376 -2.5376 -2.5351 -2.5351 1.9942 1.9942 2.0072 2.0072 3.5468 3.5468 3.5609 3.5609 5.4022 5.4022 5.4221 5.4221 8.8145 8.8145 8.8257 8.8257 10.1139 10.1139 10.1148 10.1148 k = 0.0000 0.8693 0.2790 ( 1802 PWs) bands (ev): -4.9950 -4.9950 -4.9929 -4.9929 -2.5474 -2.5474 -2.5447 -2.5447 1.9594 1.9594 1.9727 1.9727 3.4693 3.4693 3.4835 3.4835 5.4232 5.4232 5.4432 5.4432 8.9185 8.9185 8.9305 8.9305 10.1049 10.1049 10.1063 10.1063 k = 0.0000 0.8693 0.2965 ( 1796 PWs) bands (ev): -4.9760 -4.9760 -4.9738 -4.9738 -2.5579 -2.5579 -2.5552 -2.5552 1.9270 1.9270 1.9406 1.9406 3.3908 3.3908 3.4051 3.4051 5.4432 5.4432 5.4632 5.4632 9.0258 9.0258 9.0389 9.0389 10.0866 10.0866 10.0889 10.0889 k = 0.0000 0.8693 0.3139 ( 1798 PWs) bands (ev): -4.9565 -4.9565 -4.9541 -4.9541 -2.5692 -2.5692 -2.5665 -2.5665 1.8975 1.8975 1.9115 1.9115 3.3117 3.3117 3.3260 3.3260 5.4624 5.4624 5.4824 5.4824 9.1330 9.1330 9.1473 9.1473 10.0675 10.0675 10.0708 10.0708 k = 0.0000 0.8693 0.3314 ( 1796 PWs) bands (ev): -4.9366 -4.9366 -4.9341 -4.9341 -2.5812 -2.5812 -2.5784 -2.5784 1.8712 1.8712 1.8855 1.8855 3.2322 3.2322 3.2465 3.2465 5.4809 5.4809 5.5009 5.5009 9.2348 9.2348 9.2505 9.2505 10.0554 10.0554 10.0599 10.0599 k = 0.0000 0.8693 0.3488 ( 1802 PWs) bands (ev): -4.9164 -4.9164 -4.9137 -4.9137 -2.5939 -2.5939 -2.5910 -2.5910 1.8485 1.8485 1.8630 1.8630 3.1526 3.1526 3.1669 3.1669 5.4989 5.4989 5.5189 5.5189 9.3238 9.3238 9.3409 9.3409 10.0592 10.0592 10.0648 10.0648 k = 0.0000 0.8693 0.3662 ( 1800 PWs) bands (ev): -4.8960 -4.8960 -4.8932 -4.8932 -2.6070 -2.6070 -2.6041 -2.6041 1.8296 1.8296 1.8443 1.8443 3.0732 3.0732 3.0875 3.0875 5.5165 5.5165 5.5364 5.5364 9.3916 9.3916 9.4093 9.4093 10.0886 10.0886 10.0948 10.0948 k = 0.0000 0.8693 0.3837 ( 1802 PWs) bands (ev): -4.8758 -4.8758 -4.8728 -4.8728 -2.6206 -2.6206 -2.6177 -2.6177 1.8146 1.8146 1.8295 1.8295 2.9942 2.9942 3.0085 3.0085 5.5336 5.5336 5.5535 5.5535 9.4320 9.4320 9.4495 9.4495 10.1503 10.1503 10.1559 10.1559 k = 0.0000 0.8693 0.4011 ( 1802 PWs) bands (ev): -4.8557 -4.8557 -4.8526 -4.8526 -2.6345 -2.6345 -2.6315 -2.6315 1.8038 1.8038 1.8189 1.8189 2.9160 2.9160 2.9303 2.9303 5.5503 5.5503 5.5701 5.5701 9.4464 9.4464 9.4626 9.4626 10.2427 10.2427 10.2470 10.2470 k = 0.0000 0.8693 0.4186 ( 1800 PWs) bands (ev): -4.8359 -4.8359 -4.8327 -4.8327 -2.6485 -2.6485 -2.6455 -2.6455 1.7973 1.7973 1.8125 1.8125 2.8387 2.8387 2.8530 2.8530 5.5664 5.5664 5.5861 5.5861 9.4411 9.4411 9.4560 9.4560 10.3585 10.3585 10.3612 10.3612 k = 0.0000 0.8693 0.4360 ( 1808 PWs) bands (ev): -4.8168 -4.8168 -4.8134 -4.8134 -2.6624 -2.6624 -2.6595 -2.6595 1.7951 1.7951 1.8105 1.8105 2.7628 2.7628 2.7770 2.7770 5.5820 5.5820 5.6016 5.6016 9.4237 9.4237 9.4372 9.4372 10.4895 10.4895 10.4906 10.4906 k = 0.0000 0.8693 0.4534 ( 1810 PWs) bands (ev): -4.7984 -4.7984 -4.7949 -4.7949 -2.6762 -2.6762 -2.6733 -2.6733 1.7974 1.7974 1.8129 1.8129 2.6883 2.6883 2.7025 2.7025 5.5968 5.5968 5.6163 5.6163 9.3995 9.3995 9.4120 9.4120 10.6292 10.6292 10.6294 10.6294 k = 0.0000 0.8693 0.4709 ( 1812 PWs) bands (ev): -4.7809 -4.7809 -4.7773 -4.7773 -2.6895 -2.6895 -2.6866 -2.6866 1.8041 1.8041 1.8197 1.8197 2.6157 2.6157 2.6298 2.6298 5.6108 5.6108 5.6303 5.6303 9.3722 9.3722 9.3839 9.3839 10.7723 10.7723 10.7735 10.7735 k = 0.0000 0.8693 0.4883 ( 1812 PWs) bands (ev): -4.7646 -4.7646 -4.7609 -4.7609 -2.7022 -2.7022 -2.6994 -2.6994 1.8151 1.8151 1.8309 1.8309 2.5450 2.5450 2.5590 2.5590 5.6239 5.6239 5.6432 5.6432 9.3443 9.3443 9.3553 9.3553 10.9164 10.9164 10.9185 10.9185 k = 0.0000 0.8693 0.5058 ( 1812 PWs) bands (ev): -4.7496 -4.7496 -4.7458 -4.7458 -2.7141 -2.7141 -2.7113 -2.7113 1.8305 1.8305 1.8464 1.8464 2.4767 2.4767 2.4906 2.4906 5.6358 5.6358 5.6551 5.6551 9.3173 9.3173 9.3278 9.3278 11.0583 11.0583 11.0611 11.0611 k = 0.0000 0.8693 0.5232 ( 1814 PWs) bands (ev): -4.7362 -4.7362 -4.7323 -4.7323 -2.7249 -2.7249 -2.7221 -2.7221 1.8502 1.8502 1.8662 1.8662 2.4108 2.4108 2.4246 2.4246 5.6465 5.6465 5.6657 5.6657 9.2923 9.2923 9.3024 9.3024 11.1949 11.1949 11.1983 11.1983 k = 0.0000 0.8693 0.5406 ( 1810 PWs) bands (ev): -4.7244 -4.7244 -4.7205 -4.7205 -2.7344 -2.7344 -2.7316 -2.7316 1.8739 1.8739 1.8901 1.8901 2.3479 2.3479 2.3614 2.3614 5.6558 5.6558 5.6749 5.6749 9.2701 9.2701 9.2799 9.2799 11.3226 11.3226 11.3266 11.3266 k = 0.0000 0.8693 0.5581 ( 1814 PWs) bands (ev): -4.7146 -4.7146 -4.7105 -4.7105 -2.7425 -2.7425 -2.7398 -2.7398 1.9013 1.9013 1.9179 1.9179 2.2882 2.2882 2.3015 2.3015 5.6636 5.6636 5.6827 5.6827 9.2513 9.2513 9.2609 9.2609 11.4377 11.4377 11.4421 11.4421 k = 0.0000 0.8693 0.5755 ( 1812 PWs) bands (ev): -4.7068 -4.7068 -4.7027 -4.7027 -2.7489 -2.7489 -2.7463 -2.7463 1.9319 1.9319 1.9489 1.9489 2.2324 2.2324 2.2452 2.2452 5.6698 5.6698 5.6889 5.6889 9.2362 9.2362 9.2456 9.2456 11.5353 11.5353 11.5401 11.5401 k = 0.0000 0.8693 0.5930 ( 1804 PWs) bands (ev): -4.7011 -4.7011 -4.6969 -4.6969 -2.7537 -2.7537 -2.7510 -2.7510 1.9643 1.9643 1.9822 1.9822 2.1819 2.1819 2.1939 2.1939 5.6743 5.6743 5.6933 5.6933 9.2253 9.2253 9.2346 9.2346 11.6104 11.6104 11.6155 11.6155 k = 0.0000 0.8693 0.6104 ( 1806 PWs) bands (ev): -4.6976 -4.6976 -4.6935 -4.6935 -2.7565 -2.7565 -2.7539 -2.7539 1.9947 1.9947 2.0140 2.0140 2.1408 2.1408 2.1513 2.1513 5.6770 5.6770 5.6960 5.6960 9.2187 9.2187 9.2279 9.2279 11.6580 11.6580 11.6633 11.6633 k = 0.0000 0.8693 0.6278 ( 1808 PWs) bands (ev): -4.6965 -4.6965 -4.6923 -4.6923 -2.7575 -2.7575 -2.7549 -2.7549 2.0097 2.0097 2.0305 2.0305 2.1221 2.1221 2.1312 2.1312 5.6779 5.6779 5.6969 5.6969 9.2164 9.2164 9.2256 9.2256 11.6743 11.6743 11.6797 11.6797 k = 0.0000 0.8693 0.6278 ( 1808 PWs) bands (ev): -4.6965 -4.6965 -4.6923 -4.6923 -2.7575 -2.7575 -2.7549 -2.7549 2.0097 2.0097 2.0305 2.0305 2.1221 2.1221 2.1312 2.1312 5.6779 5.6779 5.6969 5.6969 9.2164 9.2164 9.2256 9.2256 11.6743 11.6743 11.6797 11.6797 k = 0.0172 0.8693 0.6278 ( 1810 PWs) bands (ev): -4.6968 -4.6968 -4.6926 -4.6926 -2.7572 -2.7572 -2.7545 -2.7545 1.9811 1.9811 1.9961 1.9961 2.1577 2.1577 2.1610 2.1610 5.6774 5.6774 5.6964 5.6964 9.2191 9.2191 9.2283 9.2283 11.6736 11.6736 11.6790 11.6791 k = 0.0344 0.8693 0.6278 ( 1810 PWs) bands (ev): -4.6977 -4.6977 -4.6935 -4.6935 -2.7562 -2.7562 -2.7536 -2.7536 1.9271 1.9271 1.9381 1.9381 2.2183 2.2183 2.2191 2.2191 5.6758 5.6758 5.6948 5.6948 9.2270 9.2270 9.2362 9.2362 11.6715 11.6715 11.6769 11.6769 k = 0.0516 0.8693 0.6278 ( 1806 PWs) bands (ev): -4.6993 -4.6993 -4.6951 -4.6951 -2.7546 -2.7546 -2.7519 -2.7519 1.8687 1.8687 1.8778 1.8778 2.2823 2.2823 2.2850 2.2850 5.6732 5.6732 5.6923 5.6923 9.2400 9.2400 9.2492 9.2492 11.6678 11.6678 11.6733 11.6733 k = 0.0688 0.8693 0.6278 ( 1808 PWs) bands (ev): -4.7014 -4.7014 -4.6973 -4.6973 -2.7522 -2.7522 -2.7496 -2.7496 1.8103 1.8103 1.8183 1.8183 2.3483 2.3483 2.3522 2.3522 5.6701 5.6701 5.6892 5.6892 9.2575 9.2575 9.2667 9.2667 11.6624 11.6624 11.6679 11.6679 k = 0.0859 0.8693 0.6278 ( 1808 PWs) bands (ev): -4.7043 -4.7043 -4.7001 -4.7001 -2.7492 -2.7492 -2.7465 -2.7465 1.7533 1.7533 1.7605 1.7605 2.4146 2.4146 2.4194 2.4194 5.6665 5.6665 5.6857 5.6857 9.2789 9.2789 9.2882 9.2882 11.6551 11.6551 11.6606 11.6606 k = 0.1031 0.8693 0.6278 ( 1804 PWs) bands (ev): -4.7078 -4.7078 -4.7037 -4.7037 -2.7454 -2.7454 -2.7428 -2.7428 1.6984 1.6984 1.7050 1.7050 2.4806 2.4806 2.4860 2.4860 5.6631 5.6631 5.6823 5.6823 9.3036 9.3036 9.3130 9.3130 11.6455 11.6455 11.6511 11.6511 k = 0.1203 0.8693 0.6278 ( 1800 PWs) bands (ev): -4.7120 -4.7120 -4.7079 -4.7079 -2.7408 -2.7408 -2.7382 -2.7382 1.6458 1.6458 1.6520 1.6520 2.5454 2.5454 2.5513 2.5513 5.6601 5.6601 5.6794 5.6794 9.3306 9.3306 9.3400 9.3400 11.6332 11.6332 11.6388 11.6388 k = 0.1375 0.8693 0.6278 ( 1796 PWs) bands (ev): -4.7170 -4.7170 -4.7129 -4.7129 -2.7355 -2.7355 -2.7328 -2.7328 1.5959 1.5959 1.6017 1.6017 2.6085 2.6085 2.6149 2.6149 5.6580 5.6580 5.6775 5.6775 9.3587 9.3587 9.3683 9.3683 11.6179 11.6179 11.6235 11.6235 k = 0.1547 0.8693 0.6278 ( 1796 PWs) bands (ev): -4.7228 -4.7228 -4.7187 -4.7187 -2.7292 -2.7292 -2.7266 -2.7266 1.5488 1.5488 1.5543 1.5543 2.6693 2.6693 2.6762 2.6762 5.6573 5.6573 5.6769 5.6769 9.3868 9.3868 9.3965 9.3965 11.5993 11.5993 11.6048 11.6048 k = 0.1719 0.8693 0.6278 ( 1796 PWs) bands (ev): -4.7294 -4.7294 -4.7253 -4.7253 -2.7220 -2.7220 -2.7194 -2.7194 1.5048 1.5048 1.5100 1.5100 2.7274 2.7274 2.7347 2.7347 5.6585 5.6585 5.6782 5.6782 9.4134 9.4134 9.4232 9.4232 11.5771 11.5771 11.5826 11.5826 k = 0.1891 0.8693 0.6278 ( 1794 PWs) bands (ev): -4.7368 -4.7368 -4.7328 -4.7328 -2.7139 -2.7139 -2.7113 -2.7113 1.4639 1.4639 1.4689 1.4689 2.7822 2.7822 2.7898 2.7898 5.6619 5.6619 5.6817 5.6817 9.4370 9.4370 9.4470 9.4470 11.5518 11.5518 11.5571 11.5571 k = 0.2063 0.8693 0.6278 ( 1792 PWs) bands (ev): -4.7451 -4.7451 -4.7411 -4.7411 -2.7047 -2.7047 -2.7021 -2.7021 1.4262 1.4262 1.4310 1.4310 2.8332 2.8332 2.8412 2.8412 5.6677 5.6677 5.6877 5.6877 9.4561 9.4561 9.4663 9.4663 11.5241 11.5241 11.5291 11.5291 k = 0.2235 0.8693 0.6278 ( 1794 PWs) bands (ev): -4.7544 -4.7544 -4.7504 -4.7504 -2.6945 -2.6945 -2.6919 -2.6919 1.3918 1.3918 1.3964 1.3964 2.8801 2.8801 2.8884 2.8884 5.6762 5.6762 5.6964 5.6964 9.4692 9.4692 9.4797 9.4797 11.4953 11.4953 11.5000 11.5000 k = 0.2406 0.8693 0.6278 ( 1798 PWs) bands (ev): -4.7646 -4.7646 -4.7606 -4.7606 -2.6831 -2.6831 -2.6805 -2.6805 1.3607 1.3607 1.3652 1.3652 2.9226 2.9226 2.9310 2.9310 5.6874 5.6874 5.7077 5.7077 9.4752 9.4752 9.4859 9.4859 11.4673 11.4673 11.4717 11.4717 k = 0.2578 0.8693 0.6278 ( 1792 PWs) bands (ev): -4.7758 -4.7758 -4.7719 -4.7719 -2.6705 -2.6705 -2.6679 -2.6679 1.3331 1.3331 1.3374 1.3374 2.9603 2.9603 2.9690 2.9690 5.7012 5.7012 5.7216 5.7216 9.4733 9.4733 9.4841 9.4841 11.4417 11.4417 11.4458 11.4458 k = 0.2750 0.8693 0.6278 ( 1798 PWs) bands (ev): -4.7880 -4.7880 -4.7841 -4.7841 -2.6567 -2.6567 -2.6542 -2.6542 1.3088 1.3088 1.3130 1.3130 2.9933 2.9933 3.0021 3.0021 5.7171 5.7171 5.7376 5.7376 9.4632 9.4632 9.4742 9.4742 11.4200 11.4200 11.4239 11.4239 k = 0.2750 0.8693 0.6278 ( 1798 PWs) bands (ev): -4.7880 -4.7880 -4.7841 -4.7841 -2.6567 -2.6567 -2.6542 -2.6542 1.3088 1.3088 1.3130 1.3130 2.9933 2.9933 3.0021 3.0021 5.7171 5.7171 5.7376 5.7376 9.4632 9.4632 9.4742 9.4742 11.4200 11.4200 11.4239 11.4239 k = 0.2698 0.8529 0.6278 ( 1798 PWs) bands (ev): -4.7500 -4.7500 -4.7460 -4.7460 -2.6998 -2.6998 -2.6971 -2.6971 1.3858 1.3858 1.3904 1.3904 2.8927 2.8927 2.9011 2.9011 5.6599 5.6599 5.6801 5.6801 9.5120 9.5120 9.5226 9.5226 11.4838 11.4838 11.4884 11.4884 k = 0.2646 0.8365 0.6278 ( 1798 PWs) bands (ev): -4.7210 -4.7210 -4.7169 -4.7169 -2.7321 -2.7321 -2.7294 -2.7294 1.4668 1.4668 1.4719 1.4719 2.7937 2.7937 2.8016 2.8016 5.6005 5.6005 5.6203 5.6203 9.5653 9.5653 9.5754 9.5754 11.5443 11.5443 11.5497 11.5497 k = 0.2595 0.8201 0.6278 ( 1794 PWs) bands (ev): -4.7023 -4.7023 -4.6981 -4.6981 -2.7523 -2.7523 -2.7496 -2.7496 1.5514 1.5514 1.5570 1.5570 2.6965 2.6965 2.7039 2.7039 5.5390 5.5390 5.5585 5.5585 9.6229 9.6229 9.6325 9.6325 11.5974 11.5974 11.6036 11.6036 k = 0.2543 0.8037 0.6278 ( 1794 PWs) bands (ev): -4.6946 -4.6946 -4.6904 -4.6904 -2.7594 -2.7594 -2.7567 -2.7567 1.6392 1.6392 1.6454 1.6454 2.6014 2.6014 2.6082 2.6082 5.4760 5.4760 5.4952 5.4952 9.6847 9.6847 9.6938 9.6938 11.6380 11.6380 11.6448 11.6448 k = 0.2491 0.7873 0.6278 ( 1794 PWs) bands (ev): -4.6984 -4.6984 -4.6942 -4.6942 -2.7528 -2.7528 -2.7502 -2.7502 1.7297 1.7297 1.7366 1.7366 2.5087 2.5087 2.5148 2.5148 5.4117 5.4117 5.4306 5.4306 9.7503 9.7503 9.7590 9.7590 11.6608 11.6608 11.6679 11.6679 k = 0.2439 0.7709 0.6278 ( 1802 PWs) bands (ev): -4.7135 -4.7135 -4.7094 -4.7094 -2.7326 -2.7326 -2.7301 -2.7301 1.8225 1.8225 1.8303 1.8303 2.4188 2.4188 2.4240 2.4240 5.3467 5.3467 5.3653 5.3653 9.8196 9.8196 9.8278 9.8278 11.6629 11.6629 11.6699 11.6699 k = 0.2387 0.7545 0.6278 ( 1806 PWs) bands (ev): -4.7392 -4.7392 -4.7352 -4.7352 -2.6995 -2.6995 -2.6972 -2.6972 1.9165 1.9165 1.9258 1.9258 2.3325 2.3325 2.3363 2.3363 5.2812 5.2812 5.2997 5.2997 9.8923 9.8923 9.9001 9.9001 11.6452 11.6452 11.6521 11.6521 k = 0.2335 0.7381 0.6278 ( 1806 PWs) bands (ev): -4.7746 -4.7746 -4.7707 -4.7707 -2.6545 -2.6545 -2.6523 -2.6523 2.0092 2.0092 2.0214 2.0214 2.2523 2.2523 2.2532 2.2532 5.2159 5.2159 5.2341 5.2341 9.9683 9.9683 9.9756 9.9756 11.6115 11.6115 11.6182 11.6182 k = 0.2283 0.7217 0.6278 ( 1802 PWs) bands (ev): -4.8183 -4.8183 -4.8146 -4.8146 -2.5989 -2.5989 -2.5969 -2.5969 2.0828 2.0828 2.1039 2.1039 2.1880 2.1880 2.1958 2.1958 5.1509 5.1509 5.1691 5.1691 10.0471 10.0471 10.0540 10.0540 11.5660 11.5660 11.5726 11.5726 k = 0.2231 0.7053 0.6278 ( 1802 PWs) bands (ev): -4.8691 -4.8691 -4.8656 -4.8656 -2.5342 -2.5342 -2.5323 -2.5323 2.0603 2.0603 2.0750 2.0750 2.2388 2.2388 2.2400 2.2400 5.0870 5.0870 5.1051 5.1051 10.1284 10.1284 10.1349 10.1349 11.5122 11.5122 11.5187 11.5187 k = 0.2179 0.6889 0.6278 ( 1802 PWs) bands (ev): -4.9255 -4.9255 -4.9222 -4.9222 -2.4618 -2.4618 -2.4600 -2.4600 1.9937 1.9937 2.0040 2.0040 2.3327 2.3327 2.3361 2.3361 5.0245 5.0245 5.0426 5.0426 10.2120 10.2120 10.2180 10.2180 11.4526 11.4526 11.4592 11.4592 k = 0.2128 0.6725 0.6278 ( 1798 PWs) bands (ev): -4.9866 -4.9866 -4.9834 -4.9834 -2.3830 -2.3830 -2.3814 -2.3814 1.9250 1.9250 1.9336 1.9336 2.4318 2.4318 2.4371 2.4371 4.9641 4.9641 4.9822 4.9822 10.2975 10.2975 10.3030 10.3030 11.3892 11.3892 11.3961 11.3961 k = 0.2076 0.6561 0.6278 ( 1798 PWs) bands (ev): -5.0511 -5.0511 -5.0481 -5.0481 -2.2992 -2.2992 -2.2977 -2.2977 1.8591 1.8591 1.8666 1.8666 2.5320 2.5320 2.5387 2.5387 4.9063 4.9063 4.9245 4.9245 10.3845 10.3845 10.3892 10.3892 11.3235 11.3235 11.3308 11.3308 k = 0.2024 0.6397 0.6278 ( 1798 PWs) bands (ev): -5.1181 -5.1181 -5.1153 -5.1153 -2.2115 -2.2115 -2.2102 -2.2102 1.7972 1.7972 1.8040 1.8040 2.6319 2.6319 2.6396 2.6396 4.8520 4.8520 4.8702 4.8702 10.4722 10.4722 10.4762 10.4762 11.2567 11.2567 11.2646 11.2646 k = 0.1972 0.6233 0.6278 ( 1798 PWs) bands (ev): -5.1870 -5.1870 -5.1843 -5.1843 -2.1212 -2.1212 -2.1200 -2.1200 1.7401 1.7401 1.7463 1.7463 2.7302 2.7302 2.7388 2.7388 4.8018 4.8018 4.8203 4.8203 10.5600 10.5600 10.5629 10.5629 11.1902 11.1902 11.1990 11.1990 k = 0.1920 0.6069 0.6278 ( 1798 PWs) bands (ev): -5.2570 -5.2570 -5.2544 -5.2544 -2.0291 -2.0291 -2.0280 -2.0280 1.6884 1.6884 1.6941 1.6941 2.8259 2.8259 2.8353 2.8353 4.7570 4.7570 4.7756 4.7756 10.6462 10.6462 10.6473 10.6473 11.1257 11.1257 11.1361 11.1361 k = 0.1868 0.5905 0.6278 ( 1790 PWs) bands (ev): -5.3276 -5.3276 -5.3252 -5.3252 -1.9364 -1.9364 -1.9353 -1.9353 1.6427 1.6427 1.6480 1.6480 2.9177 2.9177 2.9279 2.9279 4.7186 4.7186 4.7374 4.7374 10.7253 10.7253 10.7270 10.7270 11.0672 11.0672 11.0804 11.0804 k = 0.1816 0.5741 0.6278 ( 1794 PWs) bands (ev): -5.3984 -5.3984 -5.3961 -5.3961 -1.8439 -1.8439 -1.8429 -1.8429 1.6036 1.6036 1.6084 1.6084 3.0041 3.0041 3.0150 3.0150 4.6881 4.6881 4.7072 4.7072 10.7847 10.7847 10.7908 10.7908 11.0264 11.0264 11.0439 11.0439 k = 0.1764 0.5577 0.6278 ( 1798 PWs) bands (ev): -5.4689 -5.4689 -5.4667 -5.4667 -1.7527 -1.7527 -1.7517 -1.7517 1.5718 1.5718 1.5762 1.5762 3.0834 3.0834 3.0949 3.0949 4.6672 4.6672 4.6863 4.6863 10.8014 10.8014 10.8095 10.8095 11.0312 11.0312 11.0507 11.0507 k = 0.1712 0.5413 0.6278 ( 1798 PWs) bands (ev): -5.5389 -5.5389 -5.5369 -5.5369 -1.6637 -1.6637 -1.6627 -1.6627 1.5478 1.5478 1.5518 1.5518 3.1540 3.1540 3.1660 3.1660 4.6576 4.6576 4.6767 4.6767 10.7721 10.7721 10.7776 10.7776 11.0873 11.0873 11.1040 11.1040 k = 0.1661 0.5249 0.6278 ( 1798 PWs) bands (ev): -5.6082 -5.6082 -5.6062 -5.6062 -1.5779 -1.5779 -1.5769 -1.5769 1.5326 1.5326 1.5361 1.5361 3.2142 3.2142 3.2263 3.2263 4.6609 4.6609 4.6797 4.6797 10.7212 10.7212 10.7243 10.7243 11.1650 11.1650 11.1793 11.1793 k = 0.1609 0.5085 0.6278 ( 1798 PWs) bands (ev): -5.6764 -5.6764 -5.6745 -5.6745 -1.4962 -1.4962 -1.4951 -1.4951 1.5266 1.5266 1.5298 1.5298 3.2626 3.2626 3.2746 3.2746 4.6785 4.6785 4.6968 4.6968 10.6630 10.6630 10.6646 10.6646 11.2492 11.2492 11.2619 11.2619 k = 0.1557 0.4921 0.6278 ( 1802 PWs) bands (ev): -5.7434 -5.7434 -5.7416 -5.7416 -1.4194 -1.4194 -1.4182 -1.4182 1.5308 1.5308 1.5335 1.5335 3.2983 3.2983 3.3100 3.3100 4.7111 4.7111 4.7285 4.7285 10.6025 10.6025 10.6031 10.6031 11.3351 11.3351 11.3469 11.3469 k = 0.1505 0.4757 0.6278 ( 1802 PWs) bands (ev): -5.8090 -5.8090 -5.8073 -5.8073 -1.3484 -1.3484 -1.3471 -1.3471 1.5456 1.5456 1.5479 1.5479 3.3216 3.3216 3.3325 3.3325 4.7583 4.7583 4.7746 4.7746 10.5415 10.5415 10.5415 10.5415 11.4207 11.4207 11.4318 11.4318 k = 0.1453 0.4593 0.6278 ( 1802 PWs) bands (ev): -5.8731 -5.8731 -5.8715 -5.8715 -1.2838 -1.2838 -1.2825 -1.2825 1.5716 1.5716 1.5735 1.5735 3.3331 3.3331 3.3433 3.3433 4.8191 4.8191 4.8342 4.8342 10.4805 10.4805 10.4810 10.4810 11.5050 11.5050 11.5156 11.5156 k = 0.1401 0.4429 0.6278 ( 1798 PWs) bands (ev): -5.9356 -5.9356 -5.9341 -5.9341 -1.2261 -1.2261 -1.2247 -1.2247 1.6092 1.6092 1.6106 1.6106 3.3344 3.3344 3.3436 3.3436 4.8919 4.8919 4.9056 4.9056 10.4206 10.4206 10.4213 10.4213 11.5872 11.5872 11.5974 11.5974 k = 0.1349 0.4265 0.6278 ( 1790 PWs) bands (ev): -5.9964 -5.9964 -5.9949 -5.9949 -1.1757 -1.1757 -1.1742 -1.1742 1.6585 1.6585 1.6595 1.6595 3.3272 3.3272 3.3354 3.3354 4.9746 4.9746 4.9868 4.9868 10.3619 10.3619 10.3628 10.3628 11.6668 11.6668 11.6767 11.6767 k = 0.1297 0.4101 0.6278 ( 1790 PWs) bands (ev): -6.0553 -6.0553 -6.0539 -6.0539 -1.1326 -1.1326 -1.1311 -1.1311 1.7194 1.7194 1.7200 1.7200 3.3131 3.3131 3.3205 3.3205 5.0651 5.0651 5.0760 5.0760 10.3046 10.3046 10.3056 10.3056 11.7434 11.7434 11.7529 11.7529 k = 0.1245 0.3937 0.6278 ( 1786 PWs) bands (ev): -6.1123 -6.1123 -6.1110 -6.1110 -1.0967 -1.0967 -1.0951 -1.0951 1.7917 1.7917 1.7919 1.7919 3.2938 3.2938 3.3004 3.3004 5.1615 5.1615 5.1712 5.1712 10.2487 10.2487 10.2497 10.2497 11.8165 11.8165 11.8257 11.8257 k = 0.1193 0.3773 0.6278 ( 1786 PWs) bands (ev): -6.1674 -6.1674 -6.1661 -6.1661 -1.0677 -1.0677 -1.0661 -1.0661 1.8747 1.8747 1.8749 1.8749 3.2707 3.2707 3.2765 3.2765 5.2622 5.2622 5.2707 5.2707 10.1942 10.1942 10.1952 10.1952 11.8859 11.8859 11.8946 11.8946 k = 0.1142 0.3608 0.6278 ( 1786 PWs) bands (ev): -6.2204 -6.2204 -6.2192 -6.2192 -1.0452 -1.0452 -1.0435 -1.0435 1.9677 1.9677 1.9684 1.9684 3.2449 3.2449 3.2501 3.2501 5.3657 5.3657 5.3730 5.3730 10.1410 10.1410 10.1420 10.1420 11.9511 11.9511 11.9592 11.9592 k = 0.1090 0.3444 0.6278 ( 1786 PWs) bands (ev): -6.2713 -6.2713 -6.2702 -6.2702 -1.0284 -1.0284 -1.0267 -1.0267 2.0703 2.0703 2.0713 2.0713 3.2173 3.2173 3.2220 3.2220 5.4705 5.4705 5.4768 5.4768 10.0892 10.0892 10.0900 10.0900 12.0120 12.0120 12.0190 12.0190 k = 0.1038 0.3280 0.6278 ( 1784 PWs) bands (ev): -6.3201 -6.3201 -6.3190 -6.3190 -1.0168 -1.0168 -1.0151 -1.0151 2.1814 2.1814 2.1829 2.1829 3.1886 3.1886 3.1930 3.1930 5.5756 5.5756 5.5809 5.5809 10.0384 10.0384 10.0391 10.0391 12.0679 12.0679 12.0715 12.0715 k = 0.0986 0.3116 0.6278 ( 1776 PWs) bands (ev): -6.3667 -6.3667 -6.3657 -6.3657 -1.0097 -1.0097 -1.0079 -1.0079 2.3002 2.3002 2.3021 2.3021 3.1596 3.1596 3.1637 3.1637 5.6798 5.6798 5.6842 5.6842 9.9886 9.9886 9.9891 9.9891 12.0688 12.0688 12.0869 12.0869 k = 0.0934 0.2952 0.6278 ( 1776 PWs) bands (ev): -6.4111 -6.4111 -6.4102 -6.4102 -1.0064 -1.0064 -1.0046 -1.0046 2.4256 2.4256 2.4280 2.4280 3.1306 3.1306 3.1345 3.1345 5.7821 5.7821 5.7856 5.7856 9.9395 9.9395 9.9396 9.9396 11.9006 11.9006 11.9070 11.9070 k = 0.0882 0.2788 0.6278 ( 1780 PWs) bands (ev): -6.4532 -6.4532 -6.4524 -6.4524 -1.0062 -1.0062 -1.0045 -1.0045 2.5567 2.5567 2.5597 2.5597 3.1021 3.1021 3.1062 3.1062 5.8815 5.8815 5.8842 5.8842 9.8903 9.8903 9.8906 9.8906 11.7176 11.7176 11.7217 11.7217 k = 0.0830 0.2624 0.6278 ( 1778 PWs) bands (ev): -6.4931 -6.4931 -6.4923 -6.4923 -1.0085 -1.0085 -1.0069 -1.0069 2.6920 2.6920 2.6960 2.6960 3.0746 3.0746 3.0792 3.0792 5.9770 5.9770 5.9789 5.9789 9.8407 9.8407 9.8415 9.8415 11.5374 11.5374 11.5404 11.5404 k = 0.0778 0.2460 0.6278 ( 1778 PWs) bands (ev): -6.5307 -6.5307 -6.5299 -6.5299 -1.0128 -1.0128 -1.0113 -1.0113 2.8292 2.8292 2.8353 2.8353 3.0491 3.0491 3.0553 3.0553 6.0677 6.0677 6.0687 6.0687 9.7902 9.7902 9.7916 9.7916 11.3632 11.3632 11.3654 11.3654 k = 0.0726 0.2296 0.6278 ( 1778 PWs) bands (ev): -6.5659 -6.5659 -6.5652 -6.5652 -1.0187 -1.0187 -1.0172 -1.0172 2.9541 2.9541 2.9674 2.9674 3.0349 3.0349 3.0479 3.0479 6.1525 6.1525 6.1528 6.1528 9.7383 9.7383 9.7403 9.7403 11.1975 11.1975 11.1989 11.1989 k = 0.0675 0.2132 0.6278 ( 1778 PWs) bands (ev): -6.5988 -6.5988 -6.5981 -6.5981 -1.0256 -1.0256 -1.0242 -1.0242 2.9832 2.9832 2.9886 2.9886 3.1351 3.1351 3.1399 3.1399 6.2299 6.2299 6.2304 6.2304 9.6841 9.6841 9.6869 9.6869 11.0422 11.0422 11.0430 11.0430 k = 0.0623 0.1968 0.6278 ( 1778 PWs) bands (ev): -6.6293 -6.6293 -6.6287 -6.6287 -1.0332 -1.0332 -1.0319 -1.0319 2.9664 2.9664 2.9684 2.9684 3.2792 3.2792 3.2803 3.2803 6.2992 6.2992 6.3004 6.3004 9.6272 9.6272 9.6307 9.6307 10.8996 10.8996 10.8996 10.8996 k = 0.0571 0.1804 0.6278 ( 1776 PWs) bands (ev): -6.6574 -6.6574 -6.6568 -6.6568 -1.0412 -1.0412 -1.0400 -1.0400 2.9465 2.9465 2.9475 2.9475 3.4253 3.4253 3.4256 3.4256 6.3596 6.3596 6.3615 6.3615 9.5671 9.5671 9.5715 9.5715 10.7706 10.7706 10.7713 10.7713 k = 0.0519 0.1640 0.6278 ( 1776 PWs) bands (ev): -6.6831 -6.6831 -6.6826 -6.6826 -1.0493 -1.0493 -1.0482 -1.0482 2.9272 2.9272 2.9278 2.9278 3.5703 3.5703 3.5712 3.5712 6.4103 6.4103 6.4129 6.4129 9.5041 9.5041 9.5092 9.5092 10.6573 10.6573 10.6585 10.6585 k = 0.0467 0.1476 0.6278 ( 1784 PWs) bands (ev): -6.7064 -6.7064 -6.7060 -6.7060 -1.0573 -1.0573 -1.0562 -1.0562 2.9093 2.9093 2.9097 2.9097 3.7131 3.7131 3.7144 3.7144 6.4507 6.4507 6.4538 6.4538 9.4390 9.4390 9.4446 9.4446 10.5602 10.5602 10.5619 10.5619 k = 0.0415 0.1312 0.6278 ( 1788 PWs) bands (ev): -6.7273 -6.7273 -6.7269 -6.7269 -1.0648 -1.0648 -1.0639 -1.0639 2.8929 2.8929 2.8932 2.8932 3.8520 3.8520 3.8535 3.8535 6.4803 6.4803 6.4839 6.4839 9.3732 9.3732 9.3793 9.3793 10.4790 10.4790 10.4811 10.4811 k = 0.0363 0.1148 0.6278 ( 1788 PWs) bands (ev): -6.7458 -6.7458 -6.7454 -6.7454 -1.0719 -1.0719 -1.0711 -1.0711 2.8783 2.8783 2.8785 2.8785 3.9850 3.9850 3.9867 3.9867 6.4993 6.4993 6.5032 6.5032 9.3090 9.3090 9.3152 9.3152 10.4128 10.4128 10.4151 10.4151 k = 0.0311 0.0984 0.6278 ( 1788 PWs) bands (ev): -6.7618 -6.7618 -6.7615 -6.7615 -1.0783 -1.0783 -1.0776 -1.0776 2.8656 2.8656 2.8657 2.8657 4.1098 4.1098 4.1116 4.1116 6.5084 6.5084 6.5123 6.5123 9.2486 9.2486 9.2546 9.2546 10.3601 10.3601 10.3624 10.3624 k = 0.0259 0.0820 0.6278 ( 1784 PWs) bands (ev): -6.7753 -6.7753 -6.7750 -6.7750 -1.0838 -1.0838 -1.0832 -1.0832 2.8547 2.8547 2.8547 2.8547 4.2240 4.2240 4.2258 4.2258 6.5089 6.5089 6.5127 6.5127 9.1943 9.1943 9.1998 9.1998 10.3192 10.3192 10.3213 10.3213 k = 0.0208 0.0656 0.6278 ( 1788 PWs) bands (ev): -6.7864 -6.7864 -6.7862 -6.7862 -1.0885 -1.0885 -1.0880 -1.0880 2.8457 2.8457 2.8458 2.8458 4.3244 4.3244 4.3260 4.3260 6.5030 6.5030 6.5064 6.5064 9.1480 9.1480 9.1528 9.1528 10.2883 10.2883 10.2901 10.2901 k = 0.0156 0.0492 0.6278 ( 1792 PWs) bands (ev): -6.7950 -6.7950 -6.7949 -6.7949 -1.0922 -1.0922 -1.0919 -1.0919 2.8387 2.8387 2.8387 2.8387 4.4078 4.4078 4.4092 4.4092 6.4935 6.4935 6.4964 6.4964 9.1111 9.1111 9.1149 9.1149 10.2659 10.2659 10.2673 10.2673 k = 0.0104 0.0328 0.6278 ( 1796 PWs) bands (ev): -6.8012 -6.8012 -6.8011 -6.8011 -1.0949 -1.0949 -1.0946 -1.0946 2.8337 2.8337 2.8337 2.8337 4.4707 4.4707 4.4717 4.4717 6.4837 6.4837 6.4857 6.4857 9.0844 9.0844 9.0871 9.0871 10.2508 10.2508 10.2519 10.2519 k = 0.0052 0.0164 0.6278 ( 1796 PWs) bands (ev): -6.8048 -6.8048 -6.8048 -6.8048 -1.0965 -1.0965 -1.0964 -1.0964 2.8307 2.8307 2.8307 2.8307 4.5101 4.5101 4.5106 4.5106 6.4765 6.4765 6.4776 6.4776 9.0686 9.0686 9.0699 9.0699 10.2423 10.2423 10.2428 10.2428 k = 0.0000 0.0000 0.6278 ( 1796 PWs) bands (ev): -6.8061 -6.8061 -6.8061 -6.8061 -1.0970 -1.0970 -1.0970 -1.0970 2.8297 2.8297 2.8297 2.8297 4.5236 4.5236 4.5236 4.5236 6.4742 6.4742 6.4742 6.4742 9.0637 9.0637 9.0637 9.0637 10.2397 10.2397 10.2397 10.2397 k = 0.0000 0.0000 0.6278 ( 1796 PWs) bands (ev): -6.8061 -6.8061 -6.8061 -6.8061 -1.0970 -1.0970 -1.0970 -1.0970 2.8297 2.8297 2.8297 2.8297 4.5236 4.5236 4.5236 4.5236 6.4742 6.4742 6.4742 6.4742 9.0637 9.0637 9.0637 9.0637 10.2397 10.2397 10.2397 10.2397 k = 0.0000 0.0000 0.6104 ( 1796 PWs) bands (ev): -6.8709 -6.8709 -6.7405 -6.7405 -1.1663 -1.1663 -1.0251 -1.0251 2.7509 2.7509 2.9110 2.9110 4.4900 4.4900 4.5568 4.5568 6.3654 6.3654 6.5780 6.5780 9.0275 9.0275 9.0973 9.0973 10.2019 10.2019 10.2816 10.2816 k = 0.0000 0.0000 0.5930 ( 1792 PWs) bands (ev): -6.9348 -6.9348 -6.6743 -6.6743 -1.2331 -1.2331 -0.9509 -0.9509 2.6748 2.6748 2.9948 2.9948 4.4559 4.4559 4.5893 4.5893 6.2522 6.2522 6.6758 6.6758 8.9896 8.9896 9.1276 9.1276 10.1686 10.1686 10.3278 10.3278 k = 0.0000 0.0000 0.5755 ( 1796 PWs) bands (ev): -6.9978 -6.9978 -6.6077 -6.6077 -1.2970 -1.2970 -0.8745 -0.8745 2.6016 2.6016 3.0809 3.0809 4.4216 4.4216 4.6211 4.6211 6.1353 6.1353 6.7664 6.7664 8.9513 8.9513 9.1539 9.1539 10.1396 10.1396 10.3780 10.3780 k = 0.0000 0.0000 0.5581 ( 1788 PWs) bands (ev): -7.0597 -7.0597 -6.5407 -6.5407 -1.3580 -1.3580 -0.7961 -0.7961 2.5313 2.5313 3.1693 3.1693 4.3870 4.3870 4.6520 4.6520 6.0155 6.0155 6.8485 6.8485 8.9138 8.9138 9.1758 9.1758 10.1151 10.1151 10.4321 10.4321 k = 0.0000 0.0000 0.5406 ( 1782 PWs) bands (ev): -7.1204 -7.1204 -6.4735 -6.4735 -1.4160 -1.4160 -0.7159 -0.7159 2.4641 2.4641 3.2597 3.2597 4.3524 4.3524 4.6821 4.6821 5.8932 5.8932 6.9205 6.9205 8.8789 8.8789 9.1930 9.1930 10.0950 10.0950 10.4901 10.4901 k = 0.0000 0.0000 0.5232 ( 1786 PWs) bands (ev): -7.1799 -7.1799 -6.4062 -6.4062 -1.4708 -1.4708 -0.6341 -0.6341 2.4002 2.4002 3.3520 3.3520 4.3178 4.3178 4.7111 4.7111 5.7689 5.7689 6.9809 6.9809 8.8481 8.8481 9.2053 9.2053 10.0796 10.0796 10.5519 10.5519 k = 0.0000 0.0000 0.5058 ( 1790 PWs) bands (ev): -7.2380 -7.2380 -6.3391 -6.3391 -1.5224 -1.5224 -0.5510 -0.5510 2.3397 2.3397 3.4461 3.4461 4.2834 4.2834 4.7390 4.7390 5.6431 5.6431 7.0278 7.0278 8.8234 8.8234 9.2125 9.2125 10.0686 10.0686 10.6172 10.6172 k = 0.0000 0.0000 0.4883 ( 1788 PWs) bands (ev): -7.2948 -7.2948 -6.2723 -6.2723 -1.5706 -1.5706 -0.4669 -0.4669 2.2830 2.2830 3.5417 3.5417 4.2492 4.2492 4.7658 4.7658 5.5164 5.5164 7.0596 7.0596 8.8066 8.8066 9.2147 9.2147 10.0622 10.0622 10.6861 10.6861 k = 0.0000 0.0000 0.4709 ( 1792 PWs) bands (ev): -7.3501 -7.3501 -6.2060 -6.2060 -1.6153 -1.6153 -0.3821 -0.3821 2.2302 2.2302 3.6386 3.6386 4.2154 4.2154 4.7913 4.7913 5.3892 5.3892 7.0748 7.0748 8.7989 8.7989 9.2120 9.2120 10.0603 10.0603 10.7582 10.7582 k = 0.0000 0.0000 0.4534 ( 1802 PWs) bands (ev): -7.4038 -7.4038 -6.1403 -6.1403 -1.6564 -1.6564 -0.2969 -0.2969 2.1817 2.1817 3.7362 3.7362 4.1820 4.1820 4.8156 4.8156 5.2623 5.2623 7.0726 7.0726 8.8014 8.8014 9.2047 9.2047 10.0628 10.0628 10.8336 10.8336 k = 0.0000 0.0000 0.4360 ( 1798 PWs) bands (ev): -7.4559 -7.4559 -6.0755 -6.0755 -1.6939 -1.6939 -0.2117 -0.2117 2.1377 2.1377 3.8339 3.8339 4.1492 4.1492 4.8386 4.8386 5.1367 5.1367 7.0531 7.0531 8.8141 8.8141 9.1930 9.1930 10.0697 10.0697 10.9121 10.9121 k = 0.0000 0.0000 0.4186 ( 1794 PWs) bands (ev): -7.5063 -7.5063 -6.0117 -6.0117 -1.7277 -1.7277 -0.1272 -0.1272 2.0988 2.0988 3.9304 3.9304 4.1170 4.1170 4.8602 4.8602 5.0137 5.0137 7.0169 7.0169 8.8363 8.8363 9.1772 9.1772 10.0809 10.0809 10.9357 10.9357 k = 0.0000 0.0000 0.4011 ( 1796 PWs) bands (ev): -7.5550 -7.5550 -5.9492 -5.9492 -1.7577 -1.7577 -0.0437 -0.0437 2.0654 2.0654 4.0233 4.0233 4.0860 4.0860 4.8803 4.8803 4.8960 4.8960 6.9654 6.9654 8.8667 8.8667 9.1578 9.1578 10.0961 10.0961 10.8069 10.8069 k = 0.0000 0.0000 0.3837 ( 1788 PWs) bands (ev): -7.6020 -7.6020 -5.8882 -5.8882 -1.7838 -1.7838 0.0379 0.0379 2.0381 2.0381 4.0536 4.0536 4.1103 4.1103 4.7879 4.7879 4.8994 4.8994 6.9001 6.9001 8.9039 8.9039 9.1351 9.1351 10.1154 10.1154 10.6785 10.6785 k = 0.0000 0.0000 0.3662 ( 1784 PWs) bands (ev): -7.6471 -7.6471 -5.8289 -5.8289 -1.8062 -1.8062 0.1171 0.1171 2.0174 2.0174 4.0242 4.0242 4.1760 4.1760 4.7014 4.7014 4.9170 4.9170 6.8229 6.8229 8.9460 8.9460 9.1097 9.1097 10.1384 10.1384 10.5506 10.5506 k = 0.0000 0.0000 0.3488 ( 1782 PWs) bands (ev): -7.6904 -7.6904 -5.7714 -5.7714 -1.8247 -1.8247 0.1929 0.1929 2.0040 2.0040 3.9952 3.9952 4.2017 4.2017 4.6580 4.6580 4.9332 4.9332 6.7355 6.7355 8.9914 8.9914 9.0818 9.0818 10.1648 10.1648 10.4234 10.4234 k = 0.0000 0.0000 0.3314 ( 1786 PWs) bands (ev): -7.7318 -7.7318 -5.7160 -5.7160 -1.8394 -1.8394 0.2647 0.2647 1.9987 1.9987 3.9671 3.9671 4.1695 4.1695 4.6752 4.6752 4.9482 4.9482 6.6395 6.6395 9.0387 9.0387 9.0519 9.0519 10.1939 10.1939 10.2975 10.2975 k = 0.0000 0.0000 0.3139 ( 1784 PWs) bands (ev): -7.7712 -7.7712 -5.6628 -5.6628 -1.8504 -1.8504 0.3315 0.3315 2.0020 2.0020 3.9397 3.9397 4.0935 4.0935 4.7395 4.7395 4.9620 4.9620 6.5364 6.5364 9.0205 9.0205 9.0865 9.0865 10.1679 10.1679 10.2305 10.2305 k = 0.0000 0.0000 0.2965 ( 1780 PWs) bands (ev): -7.8087 -7.8087 -5.6120 -5.6120 -1.8578 -1.8578 0.3925 0.3925 2.0147 2.0147 3.9124 3.9124 3.9978 3.9978 4.8274 4.8274 4.9749 4.9749 6.4275 6.4275 8.9878 8.9878 9.1337 9.1337 10.0445 10.0445 10.2645 10.2645 k = 0.0000 0.0000 0.2790 ( 1780 PWs) bands (ev): -7.8442 -7.8442 -5.5637 -5.5637 -1.8617 -1.8617 0.4472 0.4472 2.0372 2.0372 3.8734 3.8734 3.9072 3.9072 4.9252 4.9252 4.9880 4.9880 6.3138 6.3138 8.9540 8.9540 9.1796 9.1796 9.9210 9.9210 10.3022 10.3022 k = 0.0000 0.0000 0.2616 ( 1779 PWs) bands (ev): -7.8777 -7.8777 -5.5182 -5.5182 -1.8623 -1.8623 0.4951 0.4951 2.0695 2.0695 3.7786 3.7786 3.8713 3.8713 4.9905 4.9905 5.0383 5.0383 6.1965 6.1965 8.9194 8.9194 9.2234 9.2234 9.7990 9.7990 10.3419 10.3419 k = 0.0000 0.0000 0.2442 ( 1779 PWs) bands (ev): -7.9092 -7.9092 -5.4755 -5.4755 -1.8599 -1.8599 0.5360 0.5360 2.1117 2.1117 3.6736 3.6736 3.8478 3.8478 5.0025 5.0025 5.1437 5.1437 6.0765 6.0765 8.8840 8.8840 9.2646 9.2646 9.6792 9.6792 10.3832 10.3832 k = 0.0000 0.0000 0.2267 ( 1779 PWs) bands (ev): -7.9385 -7.9385 -5.4356 -5.4356 -1.8547 -1.8547 0.5702 0.5702 2.1632 2.1632 3.5700 3.5700 3.8266 3.8266 5.0111 5.0111 5.2530 5.2530 5.9547 5.9547 8.8477 8.8477 9.3028 9.3028 9.5624 9.5624 10.4256 10.4256 k = 0.0000 0.0000 0.2093 ( 1779 PWs) bands (ev): -7.9658 -7.9658 -5.3987 -5.3987 -1.8472 -1.8472 0.5979 0.5979 2.2231 2.2231 3.4698 3.4698 3.8071 3.8071 5.0184 5.0184 5.3630 5.3630 5.8320 5.8320 8.8101 8.8101 9.3374 9.3374 9.4500 9.4500 10.4684 10.4684 k = 0.0000 0.0000 0.1918 ( 1779 PWs) bands (ev): -7.9909 -7.9909 -5.3648 -5.3648 -1.8376 -1.8376 0.6200 0.6200 2.2904 2.2904 3.3741 3.3741 3.7891 3.7891 5.0247 5.0247 5.4724 5.4724 5.7095 5.7095 8.7706 8.7706 9.3371 9.3371 9.3745 9.3745 10.5112 10.5112 k = 0.0000 0.0000 0.1744 ( 1783 PWs) bands (ev): -8.0140 -8.0140 -5.3340 -5.3340 -1.8265 -1.8265 0.6371 0.6371 2.3636 2.3636 3.2836 3.2836 3.7726 3.7726 5.0301 5.0301 5.5712 5.5712 5.5971 5.5971 8.7284 8.7284 9.2394 9.2394 9.4002 9.4002 10.5533 10.5533 k = 0.0000 0.0000 0.1570 ( 1793 PWs) bands (ev): -8.0348 -8.0348 -5.3062 -5.3062 -1.8143 -1.8143 0.6499 0.6499 2.4413 2.4413 3.1992 3.1992 3.7576 3.7576 5.0347 5.0347 5.4664 5.4664 5.6882 5.6882 8.6823 8.6823 9.1482 9.1482 9.4253 9.4253 10.5941 10.5941 k = 0.0000 0.0000 0.1395 ( 1785 PWs) bands (ev): -8.0536 -8.0536 -5.2815 -5.2815 -1.8014 -1.8014 0.6594 0.6594 2.5216 2.5216 3.1215 3.1215 3.7441 3.7441 5.0384 5.0384 5.3504 5.3504 5.7905 5.7905 8.6313 8.6313 9.0681 9.0681 9.4474 9.4474 10.6331 10.6331 k = 0.0000 0.0000 0.1221 ( 1785 PWs) bands (ev): -8.0701 -8.0701 -5.2598 -5.2598 -1.7885 -1.7885 0.6662 0.6662 2.6026 2.6026 3.0511 3.0511 3.7321 3.7321 5.0411 5.0411 5.2392 5.2392 5.8884 5.8884 8.5751 8.5751 9.0009 9.0009 9.4665 9.4665 10.6694 10.6694 k = 0.0000 0.0000 0.1046 ( 1781 PWs) bands (ev): -8.0845 -8.0845 -5.2411 -5.2411 -1.7760 -1.7760 0.6709 0.6709 2.6822 2.6822 2.9888 2.9888 3.7218 3.7218 5.0414 5.0414 5.1362 5.1362 5.9802 5.9802 8.5152 8.5152 8.9468 8.9468 9.4827 9.4827 10.7026 10.7026 k = 0.0000 0.0000 0.0872 ( 1773 PWs) bands (ev): -8.0966 -8.0966 -5.2253 -5.2253 -1.7644 -1.7644 0.6740 0.6740 2.7578 2.7578 2.9349 2.9349 3.7129 3.7129 5.0196 5.0196 5.0633 5.0633 6.0640 6.0640 8.4543 8.4543 8.9049 8.9049 9.4961 9.4961 10.7320 10.7320 k = 0.0000 0.0000 0.0698 ( 1773 PWs) bands (ev): -8.1066 -8.1066 -5.2125 -5.2125 -1.7541 -1.7541 0.6760 0.6760 2.8265 2.8265 2.8901 2.8901 3.7057 3.7057 4.9443 4.9443 5.0545 5.0545 6.1375 6.1375 8.3965 8.3965 8.8734 8.8734 9.5069 9.5069 10.7569 10.7569 k = 0.0000 0.0000 0.0523 ( 1771 PWs) bands (ev): -8.1143 -8.1143 -5.2025 -5.2025 -1.7457 -1.7457 0.6773 0.6773 2.8547 2.8547 2.8853 2.8853 3.7001 3.7001 4.8741 4.8741 5.0543 5.0543 6.1986 6.1986 8.3460 8.3460 8.8507 8.8507 9.5151 9.5151 10.7769 10.7769 k = 0.0000 0.0000 0.0349 ( 1777 PWs) bands (ev): -8.1199 -8.1199 -5.1954 -5.1954 -1.7394 -1.7394 0.6780 0.6780 2.8292 2.8292 2.9306 2.9306 3.6960 3.6960 4.8200 4.8200 5.0547 5.0547 6.2445 6.2445 8.3066 8.3066 8.8354 8.8354 9.5209 9.5209 10.7915 10.7915 k = 0.0000 0.0000 0.0174 ( 1779 PWs) bands (ev): -8.1232 -8.1232 -5.1912 -5.1912 -1.7356 -1.7356 0.6783 0.6783 2.8138 2.8138 2.9593 2.9593 3.6936 3.6936 4.7860 4.7860 5.0551 5.0551 6.2732 6.2732 8.2815 8.2815 8.8265 8.8265 9.5244 9.5244 10.8004 10.8004 k = 0.0000 0.0000 0.0000 ( 1777 PWs) bands (ev): -8.1243 -8.1243 -5.1898 -5.1898 -1.7342 -1.7342 0.6784 0.6784 2.8086 2.8086 2.9692 2.9692 3.6928 3.6928 4.7744 4.7744 5.0552 5.0552 6.2829 6.2829 8.2729 8.2729 8.8236 8.8236 9.5255 9.5255 10.8034 10.8034 k = 0.0000 0.0000 0.0000 ( 1777 PWs) bands (ev): -8.1243 -8.1243 -5.1898 -5.1898 -1.7342 -1.7342 0.6784 0.6784 2.8086 2.8086 2.9692 2.9692 3.6928 3.6928 4.7744 4.7744 5.0552 5.0552 6.2829 6.2829 8.2729 8.2729 8.8236 8.8236 9.5255 9.5255 10.8034 10.8034 k =-0.0167 0.0053 0.0000 ( 1781 PWs) bands (ev): -8.1237 -8.1237 -5.1914 -5.1914 -1.7339 -1.7339 0.6804 0.6804 2.8091 2.8091 2.9662 2.9662 3.6922 3.6922 4.7737 4.7737 5.0562 5.0562 6.2877 6.2877 8.2757 8.2757 8.8214 8.8214 9.5278 9.5278 10.8027 10.8027 k =-0.0333 0.0105 0.0000 ( 1777 PWs) bands (ev): -8.1220 -8.1220 -5.1964 -5.1964 -1.7327 -1.7327 0.6862 0.6862 2.8104 2.8104 2.9573 2.9573 3.6902 3.6902 4.7717 4.7717 5.0592 5.0592 6.3018 6.3018 8.2839 8.2839 8.8148 8.8148 9.5343 9.5343 10.8006 10.8006 k =-0.0500 0.0158 0.0000 ( 1781 PWs) bands (ev): -8.1190 -8.1190 -5.2045 -5.2045 -1.7308 -1.7308 0.6959 0.6959 2.8125 2.8125 2.9427 2.9427 3.6869 3.6869 4.7687 4.7687 5.0641 5.0641 6.3251 6.3251 8.2971 8.2971 8.8042 8.8042 9.5449 9.5449 10.7971 10.7971 k =-0.0667 0.0211 0.0000 ( 1787 PWs) bands (ev): -8.1149 -8.1149 -5.2158 -5.2158 -1.7282 -1.7282 0.7093 0.7093 2.8149 2.8149 2.9228 2.9228 3.6825 3.6825 4.7653 4.7653 5.0708 5.0708 6.3572 6.3572 8.3150 8.3150 8.7901 8.7901 9.5590 9.5590 10.7924 10.7924 k =-0.0833 0.0264 0.0000 ( 1781 PWs) bands (ev): -8.1096 -8.1096 -5.2301 -5.2301 -1.7248 -1.7248 0.7263 0.7263 2.8174 2.8174 2.8979 2.8979 3.6769 3.6769 4.7621 4.7621 5.0793 5.0793 6.3976 6.3976 8.3366 8.3366 8.7729 8.7729 9.5761 9.5761 10.7864 10.7864 k =-0.1000 0.0316 0.0000 ( 1781 PWs) bands (ev): -8.1033 -8.1033 -5.2472 -5.2472 -1.7208 -1.7208 0.7469 0.7469 2.8194 2.8194 2.8686 2.8686 3.6703 3.6703 4.7599 4.7599 5.0894 5.0894 6.4458 6.4458 8.3610 8.3610 8.7534 8.7534 9.5955 9.5955 10.7793 10.7793 k =-0.1167 0.0369 0.0000 ( 1789 PWs) bands (ev): -8.0959 -8.0959 -5.2669 -5.2669 -1.7161 -1.7161 0.7709 0.7709 2.8202 2.8202 2.8355 2.8355 3.6628 3.6628 4.7598 4.7598 5.1010 5.1010 6.5011 6.5011 8.3872 8.3872 8.7319 8.7319 9.6166 9.6166 10.7712 10.7712 k =-0.1333 0.0422 0.0000 ( 1789 PWs) bands (ev): -8.0875 -8.0875 -5.2890 -5.2890 -1.7108 -1.7108 0.7981 0.7981 2.7988 2.7988 2.8197 2.8197 3.6544 3.6544 4.7628 4.7628 5.1139 5.1139 6.5628 6.5628 8.4138 8.4138 8.7090 8.7090 9.6391 9.6391 10.7622 10.7622 k =-0.1500 0.0475 0.0000 ( 1787 PWs) bands (ev): -8.0782 -8.0782 -5.3134 -5.3134 -1.7050 -1.7050 0.8284 0.8284 2.7598 2.7598 2.8165 2.8165 3.6454 3.6454 4.7699 4.7699 5.1280 5.1280 6.6303 6.6303 8.4393 8.4393 8.6853 8.6853 9.6622 9.6622 10.7524 10.7524 k =-0.1667 0.0527 0.0000 ( 1789 PWs) bands (ev): -8.0680 -8.0680 -5.3396 -5.3396 -1.6986 -1.6986 0.8616 0.8616 2.7187 2.7187 2.8103 2.8103 3.6359 3.6359 4.7822 4.7822 5.1430 5.1430 6.7027 6.7027 8.4622 8.4622 8.6610 8.6610 9.6856 9.6856 10.7421 10.7421 k =-0.1833 0.0580 0.0000 ( 1797 PWs) bands (ev): -8.0570 -8.0570 -5.3675 -5.3675 -1.6918 -1.6918 0.8974 0.8974 2.6761 2.6761 2.8005 2.8005 3.6259 3.6259 4.8006 4.8006 5.1588 5.1588 6.7794 6.7794 8.4807 8.4807 8.6366 8.6366 9.7089 9.7089 10.7313 10.7313 k =-0.2000 0.0633 0.0000 ( 1797 PWs) bands (ev): -8.0452 -8.0452 -5.3967 -5.3967 -1.6846 -1.6846 0.9358 0.9358 2.6325 2.6325 2.7866 2.7866 3.6156 3.6156 4.8259 4.8259 5.1752 5.1752 6.8597 6.8597 8.4933 8.4933 8.6122 8.6122 9.7318 9.7318 10.7201 10.7201 k =-0.2167 0.0685 0.0000 ( 1797 PWs) bands (ev): -8.0329 -8.0329 -5.4269 -5.4269 -1.6771 -1.6771 0.9766 0.9766 2.5885 2.5885 2.7682 2.7682 3.6053 3.6053 4.8586 4.8586 5.1920 5.1920 6.9427 6.9427 8.4980 8.4980 8.5883 8.5883 9.7540 9.7540 10.7088 10.7088 k =-0.2333 0.0738 0.0000 ( 1793 PWs) bands (ev): -8.0201 -8.0201 -5.4578 -5.4578 -1.6694 -1.6694 1.0195 1.0195 2.5446 2.5446 2.7452 2.7452 3.5948 3.5948 4.8993 4.8993 5.2091 5.2091 7.0278 7.0278 8.4935 8.4935 8.5649 8.5649 9.7752 9.7752 10.6974 10.6974 k =-0.2500 0.0791 0.0000 ( 1793 PWs) bands (ev): -8.0069 -8.0069 -5.4891 -5.4891 -1.6615 -1.6615 1.0645 1.0645 2.5011 2.5011 2.7173 2.7173 3.5845 3.5845 4.9479 4.9479 5.2262 5.2262 7.1142 7.1142 8.4784 8.4784 8.5423 8.5423 9.7953 9.7953 10.6861 10.6861 k =-0.2667 0.0844 0.0000 ( 1793 PWs) bands (ev): -7.9934 -7.9934 -5.5205 -5.5205 -1.6535 -1.6535 1.1113 1.1113 2.4586 2.4586 2.6848 2.6848 3.5743 3.5743 5.0045 5.0045 5.2432 5.2432 7.2012 7.2012 8.4518 8.4518 8.5205 8.5205 9.8140 9.8140 10.6750 10.6750 k =-0.2833 0.0896 0.0000 ( 1793 PWs) bands (ev): -7.9798 -7.9798 -5.5516 -5.5516 -1.6456 -1.6456 1.1599 1.1599 2.4174 2.4174 2.6479 2.6479 3.5645 3.5645 5.0686 5.0686 5.2600 5.2600 7.2880 7.2880 8.4130 8.4130 8.4996 8.4996 9.8312 9.8312 10.6641 10.6641 k =-0.3000 0.0949 0.0000 ( 1789 PWs) bands (ev): -7.9663 -7.9663 -5.5822 -5.5822 -1.6377 -1.6377 1.2100 1.2100 2.3779 2.3779 2.6070 2.6070 3.5550 3.5550 5.1396 5.1396 5.2766 5.2766 7.3737 7.3737 8.3620 8.3620 8.4799 8.4799 9.8467 9.8467 10.6537 10.6537 k =-0.3167 0.1002 0.0000 ( 1793 PWs) bands (ev): -7.9529 -7.9529 -5.6118 -5.6118 -1.6300 -1.6300 1.2615 1.2615 2.3403 2.3403 2.5623 2.5623 3.5460 3.5460 5.2160 5.2160 5.2936 5.2936 7.4577 7.4577 8.2994 8.2994 8.4615 8.4615 9.8606 9.8606 10.6437 10.6437 k =-0.3333 0.1055 0.0000 ( 1798 PWs) bands (ev): -7.9399 -7.9399 -5.6402 -5.6402 -1.6227 -1.6227 1.3143 1.3143 2.3051 2.3051 2.5144 2.5144 3.5375 3.5375 5.2871 5.2871 5.3207 5.3207 7.5389 7.5389 8.2260 8.2260 8.4445 8.4445 9.8727 9.8727 10.6344 10.6344 k =-0.3500 0.1107 0.0000 ( 1790 PWs) bands (ev): -7.9274 -7.9274 -5.6670 -5.6670 -1.6157 -1.6157 1.3683 1.3683 2.2723 2.2723 2.4638 2.4638 3.5296 3.5296 5.3142 5.3142 5.3955 5.3955 7.6166 7.6166 8.1436 8.1436 8.4291 8.4291 9.8831 9.8831 10.6257 10.6257 k =-0.3667 0.1160 0.0000 ( 1786 PWs) bands (ev): -7.9156 -7.9156 -5.6919 -5.6919 -1.6091 -1.6091 1.4231 1.4231 2.2424 2.2424 2.4110 2.4110 3.5224 3.5224 5.3285 5.3285 5.4854 5.4854 7.6897 7.6897 8.0542 8.0542 8.4151 8.4151 9.8918 9.8918 10.6177 10.6177 k =-0.3833 0.1213 0.0000 ( 1786 PWs) bands (ev): -7.9047 -7.9047 -5.7148 -5.7148 -1.6031 -1.6031 1.4787 1.4787 2.2155 2.2155 2.3564 2.3564 3.5160 3.5160 5.3404 5.3404 5.5782 5.5782 7.7572 7.7572 7.9602 7.9602 8.4028 8.4028 9.8989 9.8989 10.6105 10.6105 k =-0.4000 0.1265 0.0000 ( 1790 PWs) bands (ev): -7.8949 -7.8949 -5.7352 -5.7352 -1.5977 -1.5977 1.5347 1.5347 2.1917 2.1917 2.3007 2.3007 3.5103 3.5103 5.3507 5.3507 5.6710 5.6710 7.8179 7.8179 7.8648 7.8648 8.3921 8.3921 9.9045 9.9045 10.6042 10.6042 k =-0.4167 0.1318 0.0000 ( 1784 PWs) bands (ev): -7.8862 -7.8862 -5.7529 -5.7529 -1.5930 -1.5930 1.5908 1.5908 2.1713 2.1713 2.2445 2.2445 3.5054 3.5054 5.3595 5.3595 5.7612 5.7612 7.7698 7.7698 7.8725 7.8725 8.3831 8.3831 9.9088 9.9088 10.5988 10.5988 k =-0.4333 0.1371 0.0000 ( 1780 PWs) bands (ev): -7.8789 -7.8789 -5.7677 -5.7677 -1.5891 -1.5891 1.6462 1.6462 2.1545 2.1545 2.1886 2.1886 3.5013 3.5013 5.3668 5.3668 5.8455 5.8455 7.6814 7.6814 7.9177 7.9177 8.3758 8.3758 9.9118 9.9118 10.5943 10.5943 k =-0.4500 0.1424 0.0000 ( 1778 PWs) bands (ev): -7.8731 -7.8731 -5.7795 -5.7795 -1.5860 -1.5860 1.6998 1.6998 2.1344 2.1344 2.1414 2.1414 3.4982 3.4982 5.3725 5.3725 5.9195 5.9195 7.6033 7.6033 7.9539 7.9539 8.3702 8.3702 9.9140 9.9140 10.5907 10.5907 k =-0.4667 0.1476 0.0000 ( 1774 PWs) bands (ev): -7.8688 -7.8688 -5.7880 -5.7880 -1.5838 -1.5838 1.7489 1.7489 2.0850 2.0850 2.1317 2.1317 3.4959 3.4959 5.3766 5.3766 5.9784 5.9784 7.5413 7.5413 7.9802 7.9802 8.3662 8.3662 9.9153 9.9153 10.5882 10.5882 k =-0.4833 0.1529 0.0000 ( 1776 PWs) bands (ev): -7.8663 -7.8663 -5.7931 -5.7931 -1.5824 -1.5824 1.7873 1.7873 2.0462 2.0462 2.1260 2.1260 3.4945 3.4945 5.3791 5.3791 6.0166 6.0166 7.5010 7.5010 7.9962 7.9962 8.3639 8.3639 9.9161 9.9161 10.5867 10.5867 k =-0.5000 0.1582 0.0000 ( 1776 PWs) bands (ev): -7.8654 -7.8654 -5.7948 -5.7948 -1.5819 -1.5819 1.8031 1.8031 2.0304 2.0304 2.1241 2.1241 3.4940 3.4940 5.3799 5.3799 6.0299 6.0299 7.4869 7.4869 8.0016 8.0016 8.3631 8.3631 9.9163 9.9163 10.5862 10.5862 k =-0.5000 0.1582 0.0000 ( 1776 PWs) bands (ev): -7.8654 -7.8654 -5.7948 -5.7948 -1.5819 -1.5819 1.8031 1.8031 2.0304 2.0304 2.1241 2.1241 3.4940 3.4940 5.3799 5.3799 6.0299 6.0299 7.4869 7.4869 8.0016 8.0016 8.3631 8.3631 9.9163 9.9163 10.5862 10.5862 k =-0.4948 0.1747-0.0000 ( 1776 PWs) bands (ev): -7.8641 -7.8641 -5.7935 -5.7935 -1.5830 -1.5830 1.8041 1.8041 2.0316 2.0316 2.1237 2.1237 3.4861 3.4861 5.3704 5.3704 6.0306 6.0306 7.4881 7.4881 7.9993 7.9993 8.3754 8.3754 9.9279 9.9279 10.5760 10.5760 k =-0.4895 0.1913-0.0000 ( 1772 PWs) bands (ev): -7.8602 -7.8602 -5.7894 -5.7894 -1.5861 -1.5861 1.8070 1.8070 2.0353 2.0353 2.1225 2.1225 3.4626 3.4626 5.3424 5.3424 6.0326 6.0326 7.4917 7.4917 7.9924 7.9924 8.4120 8.4120 9.9623 9.9623 10.5459 10.5459 k =-0.4843 0.2078-0.0000 ( 1772 PWs) bands (ev): -7.8537 -7.8537 -5.7826 -5.7826 -1.5913 -1.5913 1.8119 1.8119 2.0414 2.0414 2.1204 2.1204 3.4245 3.4245 5.2968 5.2968 6.0358 6.0358 7.4976 7.4976 7.9809 7.9809 8.4721 8.4721 10.0182 10.0182 10.4973 10.4973 k =-0.4791 0.2243-0.0000 ( 1768 PWs) bands (ev): -7.8446 -7.8446 -5.7731 -5.7731 -1.5988 -1.5988 1.8187 1.8187 2.0500 2.0500 2.1173 2.1173 3.3729 3.3729 5.2354 5.2354 6.0403 6.0403 7.5059 7.5059 7.9646 7.9646 8.5545 8.5545 10.0938 10.0938 10.4320 10.4320 k =-0.4738 0.2409-0.0000 ( 1768 PWs) bands (ev): -7.8329 -7.8329 -5.7609 -5.7609 -1.6086 -1.6086 1.8275 1.8275 2.0611 2.0611 2.1128 2.1128 3.3096 3.3096 5.1602 5.1602 6.0461 6.0461 7.5166 7.5166 7.9436 7.9436 8.6578 8.6578 10.1860 10.1860 10.3529 10.3529 k =-0.4686 0.2574-0.0000 ( 1774 PWs) bands (ev): -7.8186 -7.8186 -5.7459 -5.7459 -1.6209 -1.6209 1.8381 1.8381 2.0746 2.0746 2.1068 2.1068 3.2364 3.2364 5.0735 5.0735 6.0529 6.0529 7.5296 7.5296 7.9179 7.9179 8.7801 8.7801 10.2515 10.2515 10.3028 10.3028 k =-0.4634 0.2739-0.0000 ( 1774 PWs) bands (ev): -7.8018 -7.8018 -5.7283 -5.7283 -1.6358 -1.6358 1.8507 1.8507 2.0904 2.0904 2.0988 2.0988 3.1553 3.1553 4.9778 4.9778 6.0609 6.0609 7.5450 7.5450 7.8874 7.8874 8.9197 8.9197 10.1550 10.1550 10.4162 10.4162 k =-0.4581 0.2905-0.0000 ( 1782 PWs) bands (ev): -7.7823 -7.7823 -5.7079 -5.7079 -1.6536 -1.6536 1.8651 1.8651 2.0882 2.0882 2.1089 2.1089 3.0681 3.0681 4.8754 4.8754 6.0699 6.0699 7.5627 7.5627 7.8521 7.8521 9.0748 9.0748 10.0452 10.0452 10.5430 10.5430 k =-0.4529 0.3070-0.0000 ( 1782 PWs) bands (ev): -7.7603 -7.7603 -5.6848 -5.6848 -1.6746 -1.6746 1.8813 1.8813 2.0746 2.0746 2.1297 2.1297 2.9767 2.9767 4.7687 4.7687 6.0796 6.0796 7.5827 7.5827 7.8120 7.8120 9.2438 9.2438 9.9288 9.9288 10.6743 10.6743 k =-0.4477 0.3236-0.0000 ( 1778 PWs) bands (ev): -7.7356 -7.7356 -5.6590 -5.6590 -1.6989 -1.6989 1.8994 1.8994 2.0573 2.0573 2.1529 2.1529 2.8828 2.8828 4.6599 4.6599 6.0901 6.0901 7.6050 7.6050 7.7673 7.7673 9.4252 9.4252 9.8077 9.8077 10.8056 10.8056 k =-0.4424 0.3401-0.0000 ( 1784 PWs) bands (ev): -7.7084 -7.7084 -5.6305 -5.6305 -1.7269 -1.7269 1.9192 1.9192 2.0354 2.0354 2.1784 2.1784 2.7879 2.7879 4.5512 4.5512 6.1012 6.1012 7.6296 7.6296 7.7178 7.7178 9.6175 9.6175 9.6835 9.6835 10.9318 10.9318 k =-0.4372 0.3566-0.0000 ( 1788 PWs) bands (ev): -7.6787 -7.6787 -5.5993 -5.5993 -1.7588 -1.7588 1.9408 1.9408 2.0082 2.0082 2.2064 2.2064 2.6936 2.6936 4.4447 4.4447 6.1125 6.1125 7.6564 7.6564 7.6637 7.6637 9.5572 9.5572 9.8194 9.8194 11.0467 11.0467 k =-0.4320 0.3732-0.0000 ( 1792 PWs) bands (ev): -7.6463 -7.6463 -5.5654 -5.5654 -1.7949 -1.7949 1.9632 1.9632 1.9754 1.9754 2.2367 2.2367 2.6010 2.6010 4.3422 4.3422 6.1239 6.1239 7.6051 7.6051 7.6855 7.6855 9.4303 9.4303 10.0299 10.0299 11.1435 11.1435 k =-0.4268 0.3897-0.0000 ( 1792 PWs) bands (ev): -7.6115 -7.6115 -5.5288 -5.5288 -1.8355 -1.8355 1.9333 1.9333 1.9893 1.9893 2.2692 2.2692 2.5114 2.5114 4.2455 4.2455 6.1350 6.1350 7.5419 7.5419 7.7168 7.7168 9.3036 9.3036 10.2478 10.2478 11.2152 11.2152 k =-0.4215 0.4063-0.0000 ( 1788 PWs) bands (ev): -7.5740 -7.5740 -5.4895 -5.4895 -1.8809 -1.8809 1.8843 1.8843 2.0157 2.0157 2.3037 2.3037 2.4261 2.4261 4.1563 4.1563 6.1456 6.1456 7.4745 7.4745 7.7502 7.7502 9.1782 9.1782 10.4722 10.4722 11.2559 11.2559 k =-0.4163 0.4228-0.0000 ( 1788 PWs) bands (ev): -7.5341 -7.5341 -5.4476 -5.4476 -1.9312 -1.9312 1.8264 1.8264 2.0436 2.0436 2.3308 2.3308 2.3552 2.3552 4.0759 4.0759 6.1552 6.1552 7.4028 7.4028 7.7857 7.7857 9.0551 9.0551 10.7019 10.7019 11.2623 11.2623 k =-0.4111 0.4393-0.0000 ( 1788 PWs) bands (ev): -7.4916 -7.4916 -5.4029 -5.4029 -1.9867 -1.9867 1.7591 1.7591 2.0729 2.0729 2.2665 2.2665 2.3833 2.3833 4.0053 4.0053 6.1634 6.1634 7.3271 7.3271 7.8233 7.8233 8.9352 8.9352 10.9357 10.9357 11.2350 11.2350 k =-0.4058 0.4559-0.0000 ( 1786 PWs) bands (ev): -7.4465 -7.4465 -5.3556 -5.3556 -2.0474 -2.0474 1.6820 1.6820 2.1036 2.1036 2.1974 2.1974 2.4247 2.4247 3.9452 3.9452 6.1696 6.1696 7.2476 7.2476 7.8629 7.8629 8.8196 8.8196 11.1721 11.1721 11.1778 11.1778 k =-0.4006 0.4724-0.0000 ( 1786 PWs) bands (ev): -7.3990 -7.3990 -5.3055 -5.3055 -2.1135 -2.1135 1.5954 1.5954 2.1312 2.1312 2.1386 2.1386 2.4687 2.4687 3.8957 3.8957 6.1733 6.1733 7.1645 7.1645 7.9045 7.9045 8.7091 8.7091 11.0963 11.0963 11.4084 11.4084 k =-0.3954 0.4889-0.0000 ( 1786 PWs) bands (ev): -7.3490 -7.3490 -5.2528 -5.2528 -2.1849 -2.1849 1.4997 1.4997 2.0774 2.0774 2.1689 2.1689 2.5151 2.5151 3.8569 3.8569 6.1738 6.1738 7.0780 7.0780 7.9478 7.9478 8.6048 8.6048 10.9964 10.9964 11.5957 11.5957 k =-0.3901 0.5055-0.0000 ( 1786 PWs) bands (ev): -7.2964 -7.2964 -5.1974 -5.1974 -2.2616 -2.2616 1.3954 1.3954 2.0279 2.0279 2.2030 2.2030 2.5636 2.5636 3.8283 3.8283 6.1704 6.1704 6.9884 6.9884 7.9930 7.9930 8.5078 8.5078 10.8829 10.8829 11.4754 11.4754 k =-0.3849 0.5220-0.0000 ( 1784 PWs) bands (ev): -7.2414 -7.2414 -5.1394 -5.1394 -2.3434 -2.3434 1.2835 1.2835 1.9853 1.9853 2.2379 2.2379 2.6144 2.6144 3.8091 3.8091 6.1625 6.1625 6.8960 6.8960 8.0397 8.0397 8.4191 8.4191 10.7600 10.7600 11.3517 11.3517 k =-0.3797 0.5386-0.0000 ( 1780 PWs) bands (ev): -7.1840 -7.1840 -5.0787 -5.0787 -2.4302 -2.4302 1.1648 1.1648 1.9498 1.9498 2.2736 2.2736 2.6672 2.6672 3.7987 3.7987 6.1494 6.1494 6.8010 6.8010 8.0878 8.0878 8.3396 8.3396 10.6306 10.6306 11.2283 11.2283 k =-0.3744 0.5551-0.0000 ( 1780 PWs) bands (ev): -7.1241 -7.1241 -5.0154 -5.0154 -2.5217 -2.5217 1.0404 1.0404 1.9213 1.9213 2.3098 2.3098 2.7222 2.7222 3.7962 3.7962 6.1306 6.1306 6.7038 6.7038 8.1371 8.1371 8.2703 8.2703 10.4973 10.4973 11.1060 11.1060 k =-0.3692 0.5716-0.0000 ( 1788 PWs) bands (ev): -7.0618 -7.0618 -4.9494 -4.9494 -2.6176 -2.6176 0.9111 0.9111 1.8996 1.8996 2.3463 2.3463 2.7791 2.7791 3.8006 3.8006 6.1058 6.1058 6.6047 6.6047 8.1849 8.1849 8.2142 8.2142 10.3616 10.3616 10.9852 10.9852 k =-0.3640 0.5882-0.0000 ( 1788 PWs) bands (ev): -6.9970 -6.9970 -4.8808 -4.8808 -2.7175 -2.7175 0.7779 0.7779 1.8843 1.8843 2.3830 2.3830 2.8380 2.8380 3.8110 3.8110 6.0747 6.0747 6.5040 6.5040 8.1617 8.1617 8.2411 8.2411 10.2250 10.2250 10.8664 10.8664 k =-0.3587 0.6047-0.0000 ( 1788 PWs) bands (ev): -6.9299 -6.9299 -4.8095 -4.8095 -2.8212 -2.8212 0.6416 0.6416 1.8753 1.8753 2.4195 2.4195 2.8988 2.8988 3.8269 3.8269 6.0375 6.0375 6.4021 6.4021 8.1259 8.1259 8.2924 8.2924 10.0886 10.0886 10.7502 10.7502 k =-0.3535 0.6212-0.0000 ( 1780 PWs) bands (ev): -6.8604 -6.8604 -4.7356 -4.7356 -2.9283 -2.9283 0.5029 0.5029 1.8722 1.8722 2.4556 2.4556 2.9615 2.9615 3.8472 3.8472 5.9947 5.9947 6.2992 6.2992 8.1008 8.1008 8.3443 8.3443 9.9532 9.9532 10.6374 10.6374 k =-0.3483 0.6378-0.0000 ( 1780 PWs) bands (ev): -6.7885 -6.7885 -4.6592 -4.6592 -3.0383 -3.0383 0.3624 0.3624 1.8746 1.8746 2.4910 2.4910 3.0259 3.0259 3.8715 3.8715 5.9470 5.9470 6.1957 6.1957 8.0864 8.0864 8.3958 8.3958 9.8196 9.8196 10.5286 10.5286 k =-0.3430 0.6543-0.0000 ( 1788 PWs) bands (ev): -6.7144 -6.7144 -4.5801 -4.5801 -3.1509 -3.1509 0.2206 0.2206 1.8820 1.8820 2.5253 2.5253 3.0919 3.0919 3.8990 3.8990 5.8953 5.8953 6.0919 6.0919 8.0823 8.0823 8.4461 8.4461 9.6883 9.6883 10.4247 10.4247 k =-0.3378 0.6709-0.0000 ( 1786 PWs) bands (ev): -6.6379 -6.6379 -4.4984 -4.4984 -3.2657 -3.2657 0.0780 0.0780 1.8942 1.8942 2.5582 2.5582 3.1595 3.1595 3.9291 3.9291 5.8406 5.8406 5.9883 5.9883 8.0877 8.0877 8.4943 8.4943 9.5599 9.5599 10.3270 10.3270 k =-0.3326 0.6874-0.0000 ( 1788 PWs) bands (ev): -6.5591 -6.5591 -4.4141 -4.4141 -3.3824 -3.3824 -0.0650 -0.0650 1.9105 1.9105 2.5893 2.5893 3.2286 3.2286 3.9614 3.9614 5.7843 5.7843 5.8852 5.8852 8.1019 8.1019 8.5395 8.5395 9.4349 9.4349 10.2365 10.2365 k =-0.3273 0.7039-0.0000 ( 1784 PWs) bands (ev): -6.4781 -6.4781 -4.3272 -4.3272 -3.5006 -3.5006 -0.2079 -0.2079 1.9306 1.9306 2.6180 2.6180 3.2990 3.2990 3.9952 3.9952 5.7274 5.7274 5.7830 5.7830 8.1239 8.1239 8.5800 8.5800 9.3138 9.3138 10.1551 10.1551 k =-0.3221 0.7205-0.0000 ( 1784 PWs) bands (ev): -6.3949 -6.3949 -4.2378 -4.2378 -3.6200 -3.6200 -0.3506 -0.3506 1.9540 1.9540 2.6440 2.6440 3.3707 3.3707 4.0301 4.0301 5.6698 5.6698 5.6836 5.6836 8.1530 8.1530 8.6145 8.6145 9.1970 9.1970 10.0845 10.0845 k =-0.3169 0.7370-0.0000 ( 1784 PWs) bands (ev): -6.3095 -6.3095 -4.1459 -4.1459 -3.7403 -3.7403 -0.4928 -0.4928 1.9802 1.9802 2.6667 2.6667 3.4434 3.4434 4.0655 4.0655 5.5811 5.5811 5.6189 5.6189 8.1885 8.1885 8.6409 8.6409 9.0850 9.0850 10.0267 10.0267 k =-0.3116 0.7535-0.0000 ( 1788 PWs) bands (ev): -6.2219 -6.2219 -4.0514 -4.0514 -3.8612 -3.8612 -0.6342 -0.6342 2.0086 2.0086 2.6857 2.6857 3.5170 3.5170 4.1010 4.1010 5.4838 5.4838 5.5679 5.5679 8.2296 8.2296 8.6576 8.6576 8.9782 8.9782 9.9836 9.9836 k =-0.3064 0.7701-0.0000 ( 1796 PWs) bands (ev): -6.1323 -6.1323 -3.9826 -3.9826 -3.9542 -3.9542 -0.7747 -0.7747 2.0388 2.0388 2.7005 2.7005 3.5913 3.5913 4.1361 4.1361 5.3888 5.3888 5.5213 5.5213 8.2757 8.2757 8.6631 8.6631 8.8772 8.8772 9.9571 9.9571 k =-0.3012 0.7866-0.0000 ( 1792 PWs) bands (ev): -6.0405 -6.0405 -4.1039 -4.1039 -3.8548 -3.8548 -0.9140 -0.9140 2.0701 2.0701 2.7105 2.7105 3.6662 3.6662 4.1701 4.1701 5.2966 5.2966 5.4798 5.4798 8.3263 8.3263 8.6569 8.6569 8.7823 8.7823 9.9477 9.9477 k =-0.2960 0.8032-0.0000 ( 1788 PWs) bands (ev): -5.9468 -5.9468 -4.2252 -4.2252 -3.7527 -3.7527 -1.0520 -1.0520 2.1020 2.1020 2.7156 2.7156 3.7413 3.7413 4.2027 4.2027 5.2078 5.2078 5.4443 5.4443 8.3808 8.3808 8.6391 8.6391 8.6941 8.6941 9.9549 9.9549 k =-0.2907 0.8197-0.0000 ( 1782 PWs) bands (ev): -5.8511 -5.8511 -4.3462 -4.3462 -3.6482 -3.6482 -1.1886 -1.1886 2.1339 2.1339 2.7152 2.7152 3.8165 3.8165 4.2333 4.2333 5.1229 5.1229 5.4154 5.4154 8.4387 8.4387 8.6073 8.6073 8.6173 8.6173 9.9077 9.9077 k =-0.2855 0.8362-0.0000 ( 1784 PWs) bands (ev): -5.7534 -5.7534 -4.4666 -4.4666 -3.5412 -3.5412 -1.3237 -1.3237 2.1649 2.1649 2.7093 2.7093 3.8914 3.8914 4.2614 4.2614 5.0425 5.0425 5.3934 5.3934 8.4992 8.4992 8.5383 8.5383 8.5780 8.5780 9.7849 9.7849 k =-0.2803 0.8528-0.0000 ( 1784 PWs) bands (ev): -5.6539 -5.6539 -4.5865 -4.5865 -3.4318 -3.4318 -1.4572 -1.4572 2.1946 2.1946 2.6978 2.6978 3.9657 3.9657 4.2865 4.2865 4.9671 4.9671 5.3788 5.3788 8.4722 8.4722 8.5340 8.5340 8.5669 8.5669 9.6645 9.6645 k =-0.2750 0.8693-0.0000 ( 1782 PWs) bands (ev): -5.5526 -5.5526 -4.7054 -4.7054 -3.3199 -3.3199 -1.5889 -1.5889 2.2220 2.2220 2.6808 2.6808 4.0392 4.0392 4.3081 4.3081 4.8975 4.8975 5.3716 5.3716 8.4151 8.4151 8.4915 8.4915 8.6317 8.6317 9.5471 9.5471 k =-0.2750 0.8693-0.0000 ( 1782 PWs) bands (ev): -5.5526 -5.5526 -4.7054 -4.7054 -3.3199 -3.3199 -1.5889 -1.5889 2.2220 2.2220 2.6808 2.6808 4.0392 4.0392 4.3081 4.3081 4.8975 4.8975 5.3716 5.3716 8.4151 8.4151 8.4915 8.4915 8.6317 8.6317 9.5471 9.5471 k =-0.2750 0.8693 0.0174 ( 1786 PWs) bands (ev): -5.5518 -5.5518 -4.7050 -4.7050 -3.3195 -3.3195 -1.5898 -1.5898 2.2172 2.2172 2.6793 2.6793 4.0383 4.0383 4.2966 4.2966 4.9031 4.9031 5.3798 5.3798 8.4115 8.4115 8.4807 8.4807 8.6462 8.6462 9.5581 9.5581 k =-0.2750 0.8693 0.0349 ( 1783 PWs) bands (ev): -5.5494 -5.5494 -4.7037 -4.7037 -3.3183 -3.3183 -1.5925 -1.5925 2.2028 2.2028 2.6751 2.6751 4.0360 4.0360 4.2632 4.2632 4.9196 4.9196 5.4033 5.4033 8.4045 8.4045 8.4499 8.4499 8.6859 8.6859 9.5886 9.5886 k =-0.2750 0.8693 0.0523 ( 1788 PWs) bands (ev): -5.5453 -5.5453 -4.7016 -4.7016 -3.3163 -3.3163 -1.5969 -1.5969 2.1795 2.1795 2.6681 2.6681 4.0322 4.0322 4.2110 4.2110 4.9462 4.9462 5.4388 5.4388 8.3975 8.3975 8.4075 8.4075 8.7442 8.7442 9.6324 9.6324 k =-0.2750 0.8693 0.0698 ( 1793 PWs) bands (ev): -5.5397 -5.5397 -4.6987 -4.6987 -3.3135 -3.3135 -1.6030 -1.6030 2.1479 2.1479 2.6586 2.6586 4.0273 4.0273 4.1441 4.1441 4.9814 4.9814 5.4824 5.4824 8.3476 8.3476 8.4067 8.4067 8.8162 8.8162 9.6818 9.6818 k =-0.2750 0.8693 0.0872 ( 1793 PWs) bands (ev): -5.5324 -5.5324 -4.6950 -4.6950 -3.3099 -3.3099 -1.6110 -1.6110 2.1090 2.1090 2.6466 2.6466 4.0212 4.0212 4.0662 4.0662 5.0235 5.0235 5.5304 5.5304 8.2885 8.2885 8.4216 8.4216 8.8993 8.8993 9.7309 9.7309 k =-0.2750 0.8693 0.1046 ( 1795 PWs) bands (ev): -5.5236 -5.5236 -4.6906 -4.6906 -3.3055 -3.3055 -1.6209 -1.6209 2.0639 2.0639 2.6325 2.6325 3.9785 3.9785 4.0162 4.0162 5.0708 5.0708 5.5798 5.5798 8.2297 8.2297 8.4484 8.4484 8.9914 8.9914 9.7761 9.7761 k =-0.2750 0.8693 0.1221 ( 1793 PWs) bands (ev): -5.5133 -5.5133 -4.6855 -4.6855 -3.3003 -3.3003 -1.6325 -1.6325 2.0137 2.0137 2.6165 2.6165 3.8869 3.8869 4.0086 4.0086 5.1211 5.1211 5.6285 5.6285 8.1746 8.1746 8.4877 8.4877 9.0913 9.0913 9.8166 9.8166 k =-0.2750 0.8693 0.1395 ( 1793 PWs) bands (ev): -5.5014 -5.5014 -4.6799 -4.6799 -3.2943 -3.2943 -1.6461 -1.6461 1.9595 1.9595 2.5989 2.5989 3.7909 3.7909 4.0007 4.0007 5.1727 5.1727 5.6747 5.6747 8.1260 8.1260 8.5397 8.5397 9.1978 9.1978 9.8531 9.8531 k =-0.2750 0.8693 0.1570 ( 1797 PWs) bands (ev): -5.4880 -5.4880 -4.6737 -4.6737 -3.2875 -3.2875 -1.6616 -1.6616 1.9025 1.9025 2.5799 2.5799 3.6924 3.6924 3.9921 3.9921 5.2235 5.2235 5.7175 5.7175 8.0861 8.0861 8.6042 8.6042 9.3097 9.3097 9.8869 9.8869 k =-0.2750 0.8693 0.1744 ( 1795 PWs) bands (ev): -5.4731 -5.4731 -4.6671 -4.6671 -3.2798 -3.2798 -1.6790 -1.6790 1.8435 1.8435 2.5598 2.5598 3.5926 3.5926 3.9825 3.9825 5.2720 5.2720 5.7563 5.7563 8.0569 8.0569 8.6809 8.6809 9.4260 9.4260 9.9191 9.9191 k =-0.2750 0.8693 0.1918 ( 1795 PWs) bands (ev): -5.4568 -5.4568 -4.6602 -4.6602 -3.2713 -3.2713 -1.6983 -1.6983 1.7836 1.7836 2.5389 2.5389 3.4924 3.4924 3.9717 3.9717 5.3167 5.3167 5.7908 5.7908 8.0395 8.0395 8.7692 8.7692 9.5450 9.5450 9.9509 9.9509 k =-0.2750 0.8693 0.2093 ( 1797 PWs) bands (ev): -5.4390 -5.4390 -4.6531 -4.6531 -3.2619 -3.2619 -1.7197 -1.7197 1.7235 1.7235 2.5172 2.5172 3.3928 3.3928 3.9594 3.9594 5.3565 5.3565 5.8210 5.8210 8.0351 8.0351 8.8684 8.8684 9.6650 9.6650 9.9830 9.9830 k =-0.2750 0.8693 0.2267 ( 1795 PWs) bands (ev): -5.4199 -5.4199 -4.6460 -4.6460 -3.2517 -3.2517 -1.7430 -1.7430 1.6640 1.6640 2.4947 2.4947 3.2948 3.2948 3.9453 3.9453 5.3908 5.3908 5.8469 5.8469 8.0441 8.0441 8.9777 8.9777 9.7832 9.7832 10.0158 10.0158 k =-0.2750 0.8693 0.2442 ( 1789 PWs) bands (ev): -5.3995 -5.3995 -4.6389 -4.6389 -3.2405 -3.2405 -1.7683 -1.7683 1.6058 1.6058 2.4714 2.4714 3.1991 3.1991 3.9291 3.9291 5.4191 5.4191 5.8688 5.8688 8.0666 8.0666 9.0962 9.0962 9.8953 9.8953 10.0498 10.0498 k =-0.2750 0.8693 0.2616 ( 1789 PWs) bands (ev): -5.3779 -5.3779 -4.6320 -4.6320 -3.2283 -3.2283 -1.7955 -1.7955 1.5494 1.5494 2.4469 2.4469 3.1070 3.1070 3.9104 3.9104 5.4417 5.4417 5.8869 5.8869 8.1022 8.1022 9.2229 9.2229 9.9947 9.9947 10.0853 10.0853 k =-0.2750 0.8693 0.2790 ( 1789 PWs) bands (ev): -5.3550 -5.3550 -4.6256 -4.6256 -3.2152 -3.2152 -1.8247 -1.8247 1.4954 1.4954 2.4204 2.4204 3.0197 3.0197 3.8891 3.8891 5.4592 5.4592 5.9016 5.9016 8.1498 8.1498 9.3570 9.3570 10.0718 10.0718 10.1229 10.1229 k =-0.2750 0.8693 0.2965 ( 1789 PWs) bands (ev): -5.3311 -5.3311 -4.6196 -4.6196 -3.2009 -3.2009 -1.8558 -1.8558 1.4441 1.4441 2.3909 2.3909 2.9389 2.9389 3.8648 3.8648 5.4722 5.4722 5.9130 5.9130 8.2082 8.2082 9.4974 9.4974 10.1173 10.1173 10.1625 10.1625 k =-0.2750 0.8693 0.3139 ( 1793 PWs) bands (ev): -5.3060 -5.3060 -4.6144 -4.6144 -3.1856 -3.1856 -1.8887 -1.8887 1.3962 1.3962 2.3570 2.3570 2.8666 2.8666 3.8375 3.8375 5.4819 5.4819 5.9214 5.9214 8.2760 8.2760 9.6430 9.6430 10.1295 10.1295 10.2042 10.2042 k =-0.2750 0.8693 0.3314 ( 1792 PWs) bands (ev): -5.2799 -5.2799 -4.6101 -4.6101 -3.1690 -3.1690 -1.9234 -1.9234 1.3518 1.3518 2.3172 2.3172 2.8046 2.8046 3.8070 3.8070 5.4891 5.4891 5.9270 5.9270 8.3513 8.3513 9.7925 9.7925 10.1162 10.1162 10.2484 10.2484 k =-0.2750 0.8693 0.3488 ( 1792 PWs) bands (ev): -5.2530 -5.2530 -4.6069 -4.6069 -3.1511 -3.1511 -1.9598 -1.9598 1.3113 1.3113 2.2702 2.2702 2.7547 2.7547 3.7732 3.7732 5.4950 5.4950 5.9301 5.9301 8.4324 8.4324 9.9415 9.9415 10.0908 10.0908 10.2954 10.2954 k =-0.2750 0.8693 0.3662 ( 1790 PWs) bands (ev): -5.2252 -5.2252 -4.6048 -4.6048 -3.1319 -3.1319 -1.9978 -1.9978 1.2750 1.2750 2.2159 2.2159 2.7174 2.7174 3.7363 3.7363 5.5005 5.5005 5.9308 5.9308 8.5174 8.5174 10.0235 10.0235 10.1264 10.1264 10.3456 10.3456 k =-0.2750 0.8693 0.3837 ( 1790 PWs) bands (ev): -5.1966 -5.1966 -4.6042 -4.6042 -3.1113 -3.1113 -2.0372 -2.0372 1.2431 1.2431 2.1550 2.1550 2.6920 2.6920 3.6963 3.6963 5.5062 5.5062 5.9292 5.9292 8.6046 8.6046 9.9907 9.9907 10.2744 10.2744 10.3993 10.3993 k =-0.2750 0.8693 0.4011 ( 1787 PWs) bands (ev): -5.1675 -5.1675 -4.6051 -4.6051 -3.0892 -3.0892 -2.0779 -2.0779 1.2158 1.2158 2.0894 2.0894 2.6773 2.6773 3.6535 3.6535 5.5128 5.5128 5.9255 5.9255 8.6922 8.6922 9.9470 9.9470 10.4306 10.4306 10.4588 10.4588 k =-0.2750 0.8693 0.4186 ( 1785 PWs) bands (ev): -5.1377 -5.1377 -4.6077 -4.6077 -3.0655 -3.0655 -2.1199 -2.1199 1.1932 1.1932 2.0208 2.0208 2.6716 2.6716 3.6082 3.6082 5.5207 5.5207 5.9197 5.9197 8.7787 8.7787 9.9022 9.9022 10.5154 10.5154 10.5946 10.5946 k =-0.2750 0.8693 0.4360 ( 1793 PWs) bands (ev): -5.1076 -5.1076 -4.6121 -4.6121 -3.0402 -3.0402 -2.1629 -2.1629 1.1755 1.1755 1.9507 1.9507 2.6735 2.6735 3.5605 3.5605 5.5301 5.5301 5.9119 5.9119 8.8626 8.8626 9.8579 9.8579 10.5806 10.5806 10.7531 10.7531 k =-0.2750 0.8693 0.4534 ( 1791 PWs) bands (ev): -5.0772 -5.0772 -4.6183 -4.6183 -3.0133 -3.0133 -2.2067 -2.2067 1.1628 1.1628 1.8805 1.8805 2.6818 2.6818 3.5111 3.5111 5.5413 5.5413 5.9022 5.9022 8.9428 8.9428 9.8151 9.8151 10.6494 10.6494 10.9092 10.9092 k =-0.2750 0.8693 0.4709 ( 1795 PWs) bands (ev): -5.0465 -5.0465 -4.6265 -4.6265 -2.9846 -2.9846 -2.2513 -2.2513 1.1552 1.1552 1.8112 1.8112 2.6958 2.6958 3.4601 3.4601 5.5542 5.5542 5.8908 5.8908 9.0184 9.0184 9.7741 9.7741 10.7218 10.7218 11.0607 11.0607 k =-0.2750 0.8693 0.4883 ( 1793 PWs) bands (ev): -5.0159 -5.0159 -4.6367 -4.6367 -2.9543 -2.9543 -2.2964 -2.2964 1.1526 1.1526 1.7435 1.7435 2.7147 2.7147 3.4080 3.4080 5.5689 5.5689 5.8776 5.8776 9.0887 9.0887 9.7351 9.7351 10.7976 10.7976 11.2044 11.2044 k =-0.2750 0.8693 0.5058 ( 1793 PWs) bands (ev): -4.9853 -4.9853 -4.6489 -4.6489 -2.9223 -2.9223 -2.3419 -2.3419 1.1551 1.1551 1.6780 1.6780 2.7381 2.7381 3.3552 3.3552 5.5851 5.5851 5.8629 5.8629 9.1533 9.1533 9.6980 9.6980 10.8762 10.8762 11.3356 11.3356 k =-0.2750 0.8693 0.5232 ( 1797 PWs) bands (ev): -4.9549 -4.9549 -4.6631 -4.6631 -2.8886 -2.8886 -2.3876 -2.3876 1.1627 1.1627 1.6152 1.6152 2.7655 2.7655 3.3022 3.3022 5.6027 5.6027 5.8467 5.8467 9.2122 9.2122 9.6627 9.6627 10.9569 10.9569 11.4465 11.4465 k =-0.2750 0.8693 0.5406 ( 1799 PWs) bands (ev): -4.9249 -4.9249 -4.6792 -4.6792 -2.8533 -2.8533 -2.4332 -2.4332 1.1753 1.1753 1.5553 1.5553 2.7966 2.7966 3.2492 3.2492 5.6216 5.6216 5.8293 5.8293 9.2656 9.2656 9.6290 9.6290 11.0388 11.0388 11.5251 11.5251 k =-0.2750 0.8693 0.5581 ( 1799 PWs) bands (ev): -4.8955 -4.8955 -4.6972 -4.6972 -2.8165 -2.8165 -2.4787 -2.4787 1.1928 1.1928 1.4988 1.4988 2.8311 2.8311 3.1967 3.1967 5.6414 5.6414 5.8107 5.8107 9.3139 9.3139 9.5965 9.5965 11.1207 11.1207 11.5615 11.5615 k =-0.2750 0.8693 0.5755 ( 1800 PWs) bands (ev): -4.8667 -4.8667 -4.7170 -4.7170 -2.7782 -2.7782 -2.5238 -2.5238 1.2153 1.2153 1.4459 1.4459 2.8687 2.8687 3.1449 3.1449 5.6620 5.6620 5.7912 5.7912 9.3576 9.3576 9.5648 9.5648 11.2014 11.2014 11.5590 11.5590 k =-0.2750 0.8693 0.5930 ( 1800 PWs) bands (ev): -4.8388 -4.8388 -4.7384 -4.7384 -2.7385 -2.7385 -2.5684 -2.5684 1.2425 1.2425 1.3968 1.3968 2.9092 2.9092 3.0944 3.0944 5.6829 5.6829 5.7712 5.7712 9.3974 9.3974 9.5334 9.5334 11.2797 11.2797 11.5293 11.5293 k =-0.2750 0.8693 0.6104 ( 1798 PWs) bands (ev): -4.8119 -4.8119 -4.7615 -4.7615 -2.6976 -2.6976 -2.6124 -2.6124 1.2744 1.2744 1.3518 1.3518 2.9521 2.9521 3.0453 3.0453 5.7034 5.7034 5.7512 5.7512 9.4339 9.4339 9.5019 9.5019 11.3538 11.3538 11.4817 11.4817 k =-0.2750 0.8693 0.6278 ( 1798 PWs) bands (ev): -4.7880 -4.7880 -4.7841 -4.7841 -2.6567 -2.6567 -2.6542 -2.6542 1.3088 1.3088 1.3130 1.3130 2.9933 2.9933 3.0021 3.0021 5.7171 5.7171 5.7376 5.7376 9.4632 9.4632 9.4742 9.4742 11.4200 11.4200 11.4239 11.4239 k =-0.2750 0.8693 0.6278 ( 1798 PWs) bands (ev): -4.7880 -4.7880 -4.7841 -4.7841 -2.6567 -2.6567 -2.6542 -2.6542 1.3088 1.3088 1.3130 1.3130 2.9933 2.9933 3.0021 3.0021 5.7171 5.7171 5.7376 5.7376 9.4632 9.4632 9.4742 9.4742 11.4200 11.4200 11.4239 11.4239 k =-0.2803 0.8528 0.6278 ( 1798 PWs) bands (ev): -4.8341 -4.8341 -4.8304 -4.8304 -2.6041 -2.6041 -2.6016 -2.6016 1.2357 1.2357 1.2394 1.2394 3.0960 3.0960 3.1054 3.1054 5.7719 5.7719 5.7929 5.7929 9.4185 9.4185 9.4300 9.4300 11.3552 11.3552 11.3583 11.3583 k =-0.2855 0.8362 0.6278 ( 1802 PWs) bands (ev): -4.8867 -4.8867 -4.8831 -4.8831 -2.5440 -2.5440 -2.5416 -2.5416 1.1675 1.1675 1.1708 1.1708 3.1999 3.1999 3.2097 3.2097 5.8238 5.8238 5.8452 5.8452 9.3785 9.3785 9.3905 9.3905 11.2917 11.2917 11.2942 11.2942 k =-0.2907 0.8197 0.6278 ( 1798 PWs) bands (ev): -4.9444 -4.9444 -4.9410 -4.9410 -2.4781 -2.4781 -2.4757 -2.4757 1.1048 1.1048 1.1078 1.1078 3.3046 3.3046 3.3149 3.3149 5.8723 5.8723 5.8941 5.8941 9.3431 9.3431 9.3555 9.3555 11.2310 11.2310 11.2328 11.2328 k =-0.2960 0.8032 0.6278 ( 1798 PWs) bands (ev): -5.0062 -5.0062 -5.0029 -5.0029 -2.4079 -2.4079 -2.4057 -2.4057 1.0482 1.0482 1.0508 1.0508 3.4099 3.4099 3.4208 3.4208 5.9173 5.9173 5.9395 5.9395 9.3121 9.3121 9.3251 9.3251 11.1739 11.1739 11.1751 11.1751 k =-0.3012 0.7866 0.6278 ( 1798 PWs) bands (ev): -5.0709 -5.0709 -5.0678 -5.0678 -2.3352 -2.3352 -2.3330 -2.3330 0.9983 0.9983 1.0005 1.0005 3.5156 3.5156 3.5269 3.5269 5.9587 5.9587 5.9813 5.9813 9.2855 9.2855 9.2989 9.2989 11.1212 11.1212 11.1217 11.1217 k =-0.3064 0.7701 0.6278 ( 1798 PWs) bands (ev): -5.1377 -5.1377 -5.1348 -5.1348 -2.2614 -2.2614 -2.2592 -2.2592 0.9559 0.9559 0.9577 0.9577 3.6212 3.6212 3.6331 3.6331 5.9963 5.9963 6.0193 6.0193 9.2630 9.2630 9.2768 9.2768 11.0731 11.0731 11.0732 11.0732 k =-0.3116 0.7535 0.6278 ( 1798 PWs) bands (ev): -5.2059 -5.2059 -5.2031 -5.2031 -2.1878 -2.1878 -2.1856 -2.1856 0.9215 0.9215 0.9230 0.9230 3.7265 3.7265 3.7389 3.7389 6.0303 6.0303 6.0537 6.0537 9.2442 9.2442 9.2583 9.2583 11.0297 11.0297 11.0304 11.0304 k =-0.3169 0.7370 0.6278 ( 1798 PWs) bands (ev): -5.2749 -5.2749 -5.2723 -5.2723 -2.1159 -2.1159 -2.1137 -2.1137 0.8961 0.8961 0.8972 0.8972 3.8312 3.8312 3.8441 3.8441 6.0607 6.0607 6.0844 6.0844 9.2288 9.2288 9.2432 9.2432 10.9915 10.9915 10.9928 10.9928 k =-0.3221 0.7205 0.6278 ( 1798 PWs) bands (ev): -5.3442 -5.3442 -5.3417 -5.3417 -2.0469 -2.0469 -2.0446 -2.0446 0.8805 0.8805 0.8811 0.8811 3.9348 3.9348 3.9483 3.9483 6.0878 6.0878 6.1118 6.1118 9.2163 9.2163 9.2310 9.2310 10.9585 10.9585 10.9605 10.9605 k =-0.3273 0.7039 0.6278 ( 1798 PWs) bands (ev): -5.4134 -5.4134 -5.4110 -5.4110 -1.9819 -1.9819 -1.9796 -1.9796 0.8753 0.8753 0.8756 0.8756 4.0369 4.0369 4.0510 4.0510 6.1117 6.1117 6.1360 6.1360 9.2064 9.2064 9.2212 9.2212 10.9305 10.9305 10.9332 10.9332 k =-0.3326 0.6874 0.6278 ( 1798 PWs) bands (ev): -5.4821 -5.4821 -5.4798 -5.4798 -1.9220 -1.9220 -1.9196 -1.9196 0.8813 0.8813 0.8814 0.8814 4.1371 4.1371 4.1518 4.1518 6.1330 6.1330 6.1574 6.1574 9.1987 9.1987 9.2136 9.2136 10.9071 10.9071 10.9105 10.9105 k =-0.3378 0.6709 0.6278 ( 1794 PWs) bands (ev): -5.5500 -5.5500 -5.5479 -5.5479 -1.8681 -1.8681 -1.8657 -1.8657 0.8988 0.8988 0.8993 0.8993 4.2349 4.2349 4.2502 4.2502 6.1520 6.1520 6.1766 6.1766 9.1928 9.1928 9.2077 9.2077 10.8875 10.8875 10.8916 10.8916 k =-0.3430 0.6543 0.6278 ( 1798 PWs) bands (ev): -5.6170 -5.6170 -5.6149 -5.6149 -1.8210 -1.8210 -1.8185 -1.8185 0.9286 0.9286 0.9295 0.9295 4.3298 4.3298 4.3456 4.3456 6.1693 6.1693 6.1939 6.1939 9.1885 9.1885 9.2033 9.2033 10.8709 10.8709 10.8757 10.8757 k =-0.3483 0.6378 0.6278 ( 1802 PWs) bands (ev): -5.6827 -5.6827 -5.6808 -5.6808 -1.7809 -1.7809 -1.7783 -1.7783 0.9710 0.9710 0.9722 0.9722 4.4212 4.4212 4.4375 4.4375 6.1853 6.1853 6.2098 6.2098 9.1857 9.1857 9.2004 9.2004 10.8562 10.8562 10.8617 10.8617 k =-0.3535 0.6212 0.6278 ( 1802 PWs) bands (ev): -5.7470 -5.7470 -5.7452 -5.7452 -1.7481 -1.7481 -1.7455 -1.7455 1.0259 1.0259 1.0274 1.0274 4.5086 4.5086 4.5254 4.5254 6.2006 6.2006 6.2250 6.2250 9.1845 9.1845 9.1989 9.1989 10.8421 10.8421 10.8484 10.8484 k =-0.3587 0.6047 0.6278 ( 1798 PWs) bands (ev): -5.8099 -5.8099 -5.8081 -5.8081 -1.7226 -1.7226 -1.7199 -1.7199 1.0930 1.0930 1.0949 1.0949 4.5913 4.5913 4.6085 4.6085 6.2157 6.2157 6.2399 6.2399 9.1848 9.1848 9.1990 9.1990 10.8274 10.8274 10.8344 10.8344 k =-0.3640 0.5882 0.6278 ( 1798 PWs) bands (ev): -5.8710 -5.8710 -5.8693 -5.8693 -1.7039 -1.7039 -1.7013 -1.7013 1.1719 1.1719 1.1741 1.1741 4.6689 4.6689 4.6864 4.6864 6.2312 6.2312 6.2549 6.2549 9.1870 9.1870 9.2008 9.2008 10.8108 10.8108 10.8187 10.8187 k =-0.3692 0.5716 0.6278 ( 1804 PWs) bands (ev): -5.9304 -5.9304 -5.9288 -5.9288 -1.6917 -1.6917 -1.6891 -1.6891 1.2620 1.2620 1.2645 1.2645 4.7407 4.7407 4.7585 4.7585 6.2473 6.2473 6.2705 6.2705 9.1912 9.1912 9.2046 9.2046 10.7913 10.7913 10.7999 10.7999 k =-0.3744 0.5551 0.6278 ( 1804 PWs) bands (ev): -5.9879 -5.9879 -5.9864 -5.9864 -1.6853 -1.6853 -1.6827 -1.6827 1.3624 1.3624 1.3651 1.3651 4.8065 4.8065 4.8243 4.8243 6.2645 6.2645 6.2869 6.2869 9.1979 9.1979 9.2108 9.2108 10.7678 10.7678 10.7772 10.7772 k =-0.3797 0.5386 0.6278 ( 1810 PWs) bands (ev): -6.0435 -6.0435 -6.0421 -6.0421 -1.6840 -1.6840 -1.6814 -1.6814 1.4723 1.4723 1.4753 1.4753 4.8659 4.8659 4.8836 4.8836 6.2828 6.2828 6.3043 6.3043 9.2074 9.2074 9.2197 9.2197 10.7397 10.7397 10.7499 10.7499 k =-0.3849 0.5220 0.6278 ( 1806 PWs) bands (ev): -6.0970 -6.0970 -6.0957 -6.0957 -1.6870 -1.6870 -1.6845 -1.6845 1.5908 1.5908 1.5940 1.5940 4.9187 4.9187 4.9361 4.9361 6.3023 6.3023 6.3225 6.3225 9.2201 9.2201 9.2318 9.2318 10.7063 10.7063 10.7172 10.7172 k =-0.3901 0.5055 0.6278 ( 1802 PWs) bands (ev): -6.1485 -6.1485 -6.1472 -6.1472 -1.6937 -1.6937 -1.6913 -1.6913 1.7170 1.7170 1.7204 1.7204 4.9648 4.9648 4.9818 4.9818 6.3225 6.3225 6.3414 6.3414 9.2363 9.2363 9.2474 9.2474 10.6670 10.6670 10.6786 10.6786 k =-0.3954 0.4889 0.6278 ( 1802 PWs) bands (ev): -6.1979 -6.1979 -6.1967 -6.1967 -1.7034 -1.7034 -1.7011 -1.7011 1.8500 1.8500 1.8537 1.8537 5.0045 5.0045 5.0209 5.0209 6.3431 6.3431 6.3604 6.3604 9.2564 9.2564 9.2669 9.2669 10.6213 10.6213 10.6336 10.6336 k =-0.4006 0.4724 0.6278 ( 1806 PWs) bands (ev): -6.2450 -6.2450 -6.2439 -6.2439 -1.7154 -1.7154 -1.7132 -1.7132 1.9890 1.9890 1.9929 1.9929 5.0380 5.0380 5.0537 5.0537 6.3635 6.3635 6.3791 6.3791 9.2807 9.2807 9.2904 9.2904 10.5684 10.5684 10.5814 10.5814 k =-0.4058 0.4559 0.6278 ( 1800 PWs) bands (ev): -6.2900 -6.2900 -6.2889 -6.2889 -1.7292 -1.7292 -1.7271 -1.7271 2.1333 2.1333 2.1373 2.1373 5.0657 5.0657 5.0807 5.0807 6.3829 6.3829 6.3966 6.3966 9.3092 9.3092 9.3181 9.3181 10.5079 10.5079 10.5214 10.5214 k =-0.4111 0.4393 0.6278 ( 1804 PWs) bands (ev): -6.3327 -6.3327 -6.3317 -6.3317 -1.7443 -1.7443 -1.7423 -1.7423 2.2819 2.2819 2.2862 2.2862 5.0882 5.0882 5.1024 5.1024 6.4004 6.4004 6.4122 6.4122 9.3420 9.3420 9.3501 9.3501 10.4390 10.4390 10.4530 10.4530 k =-0.4163 0.4228 0.6278 ( 1804 PWs) bands (ev): -6.3730 -6.3730 -6.3721 -6.3721 -1.7602 -1.7602 -1.7583 -1.7583 2.4343 2.4343 2.4388 2.4388 5.1061 5.1061 5.1195 5.1195 6.4152 6.4152 6.4251 6.4251 9.3790 9.3790 9.3863 9.3863 10.3612 10.3612 10.3755 10.3755 k =-0.4215 0.4063 0.6278 ( 1808 PWs) bands (ev): -6.4111 -6.4111 -6.4102 -6.4102 -1.7766 -1.7766 -1.7748 -1.7748 2.5897 2.5897 2.5944 2.5944 5.1199 5.1199 5.1324 5.1324 6.4264 6.4264 6.4344 6.4344 9.4199 9.4199 9.4263 9.4263 10.2746 10.2746 10.2889 10.2889 k =-0.4268 0.3897 0.6278 ( 1800 PWs) bands (ev): -6.4468 -6.4468 -6.4460 -6.4460 -1.7931 -1.7931 -1.7914 -1.7914 2.7474 2.7474 2.7523 2.7523 5.1303 5.1303 5.1420 5.1420 6.4332 6.4332 6.4394 6.4394 9.4642 9.4642 9.4696 9.4696 10.1796 10.1796 10.1937 10.1937 k =-0.4320 0.3732 0.6278 ( 1796 PWs) bands (ev): -6.4801 -6.4801 -6.4794 -6.4794 -1.8094 -1.8094 -1.8079 -1.8079 2.9066 2.9066 2.9117 2.9117 5.1377 5.1377 5.1486 5.1486 6.4349 6.4349 6.4393 6.4393 9.5110 9.5110 9.5152 9.5152 10.0782 10.0782 10.0915 10.0915 k =-0.4372 0.3566 0.6278 ( 1800 PWs) bands (ev): -6.5111 -6.5111 -6.5104 -6.5104 -1.8253 -1.8253 -1.8239 -1.8239 3.0665 3.0665 3.0718 3.0718 5.1426 5.1426 5.1528 5.1528 6.4308 6.4308 6.4336 6.4336 9.5582 9.5582 9.5608 9.5608 9.9738 9.9738 9.9857 9.9857 k =-0.4424 0.3401 0.6278 ( 1792 PWs) bands (ev): -6.5396 -6.5396 -6.5390 -6.5390 -1.8406 -1.8406 -1.8393 -1.8393 3.2262 3.2262 3.2318 3.2318 5.1456 5.1456 5.1552 5.1552 6.4204 6.4204 6.4217 6.4217 9.6000 9.6000 9.6005 9.6005 9.8746 9.8746 9.8835 9.8835 k =-0.4477 0.3236 0.6278 ( 1796 PWs) bands (ev): -6.5657 -6.5657 -6.5651 -6.5651 -1.8550 -1.8550 -1.8538 -1.8538 3.3848 3.3848 3.3906 3.3906 5.1470 5.1470 5.1559 5.1559 6.4034 6.4034 6.4034 6.4034 9.6103 9.6103 9.6175 9.6175 9.8054 9.8054 9.8075 9.8075 k =-0.4529 0.3070 0.6278 ( 1796 PWs) bands (ev): -6.5893 -6.5893 -6.5888 -6.5888 -1.8685 -1.8685 -1.8674 -1.8674 3.5412 3.5412 3.5472 3.5472 5.1471 5.1471 5.1555 5.1555 6.3785 6.3785 6.3797 6.3797 9.5569 9.5569 9.5694 9.5694 9.7994 9.7994 9.8030 9.8030 k =-0.4581 0.2905 0.6278 ( 1792 PWs) bands (ev): -6.6105 -6.6105 -6.6100 -6.6100 -1.8808 -1.8808 -1.8799 -1.8799 3.6939 3.6939 3.7000 3.7000 5.1463 5.1463 5.1541 5.1541 6.3472 6.3472 6.3493 6.3493 9.4677 9.4677 9.4802 9.4802 9.8374 9.8374 9.8415 9.8415 k =-0.4634 0.2739 0.6278 ( 1792 PWs) bands (ev): -6.6292 -6.6292 -6.6288 -6.6288 -1.8920 -1.8920 -1.8911 -1.8911 3.8413 3.8413 3.8476 3.8476 5.1446 5.1446 5.1520 5.1520 6.3100 6.3100 6.3128 6.3128 9.3738 9.3738 9.3852 9.3852 9.8877 9.8877 9.8913 9.8913 k =-0.4686 0.2574 0.6278 ( 1792 PWs) bands (ev): -6.6454 -6.6454 -6.6451 -6.6451 -1.9018 -1.9018 -1.9011 -1.9011 3.9813 3.9813 3.9876 3.9876 5.1424 5.1424 5.1493 5.1493 6.2682 6.2682 6.2713 6.2713 9.2855 9.2855 9.2956 9.2956 9.9404 9.9404 9.9434 9.9434 k =-0.4738 0.2409 0.6278 ( 1796 PWs) bands (ev): -6.6592 -6.6592 -6.6589 -6.6589 -1.9102 -1.9102 -1.9096 -1.9096 4.1113 4.1113 4.1175 4.1175 5.1398 5.1398 5.1461 5.1461 6.2234 6.2234 6.2266 6.2266 9.2070 9.2070 9.2155 9.2155 9.9918 9.9918 9.9943 9.9943 k =-0.4791 0.2243 0.6278 ( 1788 PWs) bands (ev): -6.6704 -6.6704 -6.6702 -6.6702 -1.9171 -1.9171 -1.9167 -1.9167 4.2280 4.2280 4.2338 4.2338 5.1369 5.1369 5.1426 5.1426 6.1782 6.1782 6.1813 6.1813 9.1405 9.1405 9.1474 9.1474 10.0396 10.0396 10.0415 10.0415 k =-0.4843 0.2078 0.6278 ( 1784 PWs) bands (ev): -6.6792 -6.6792 -6.6790 -6.6790 -1.9226 -1.9226 -1.9222 -1.9222 4.3273 4.3273 4.3322 4.3322 5.1340 5.1340 5.1388 5.1388 6.1363 6.1363 6.1389 6.1389 9.0876 9.0876 9.0930 9.0930 10.0813 10.0813 10.0828 10.0828 k =-0.4895 0.1913 0.6278 ( 1780 PWs) bands (ev): -6.6854 -6.6854 -6.6853 -6.6853 -1.9265 -1.9265 -1.9263 -1.9263 4.4041 4.4041 4.4079 4.4079 5.1316 5.1316 5.1351 5.1351 6.1017 6.1017 6.1036 6.1036 9.0495 9.0495 9.0531 9.0531 10.1145 10.1145 10.1154 10.1154 k =-0.4948 0.1747 0.6278 ( 1780 PWs) bands (ev): -6.6891 -6.6891 -6.6891 -6.6891 -1.9288 -1.9288 -1.9287 -1.9287 4.4536 4.4536 4.4556 4.4556 5.1301 5.1301 5.1320 5.1320 6.0789 6.0789 6.0799 6.0799 9.0267 9.0267 9.0286 9.0286 10.1361 10.1361 10.1366 10.1366 k =-0.5000 0.1582 0.6278 ( 1776 PWs) bands (ev): -6.6904 -6.6904 -6.6904 -6.6904 -1.9296 -1.9296 -1.9296 -1.9296 4.4713 4.4713 4.4713 4.4713 5.1302 5.1302 5.1302 5.1302 6.0712 6.0712 6.0712 6.0712 9.0197 9.0197 9.0197 9.0197 10.1438 10.1438 10.1438 10.1438 k =-0.5000 0.1582 0.6278 ( 1776 PWs) bands (ev): -6.6904 -6.6904 -6.6904 -6.6904 -1.9296 -1.9296 -1.9296 -1.9296 4.4713 4.4713 4.4713 4.4713 5.1302 5.1302 5.1302 5.1302 6.0712 6.0712 6.0712 6.0712 9.0197 9.0197 9.0197 9.0197 10.1438 10.1438 10.1438 10.1438 k =-0.5000 0.1582 0.6104 ( 1782 PWs) bands (ev): -6.7433 -6.7433 -6.6376 -6.6376 -1.9881 -1.9881 -1.8668 -1.8668 4.4275 4.4275 4.5152 4.5152 5.0645 5.0645 5.1902 5.1902 5.9625 5.9625 6.1833 6.1833 8.9868 8.9868 9.0474 9.0474 10.1263 10.1263 10.1590 10.1590 k =-0.5000 0.1582 0.5930 ( 1786 PWs) bands (ev): -6.7962 -6.7962 -6.5853 -6.5853 -2.0421 -2.0421 -1.8000 -1.8000 4.3837 4.3837 4.5589 4.5589 4.9956 4.9956 5.2390 5.2390 5.8629 5.8629 6.2957 6.2957 8.9499 8.9499 9.0685 9.0685 10.1048 10.1048 10.1739 10.1739 k =-0.5000 0.1582 0.5755 ( 1786 PWs) bands (ev): -6.8490 -6.8490 -6.5335 -6.5335 -2.0917 -2.0917 -1.7292 -1.7292 4.3400 4.3400 4.6023 4.6023 4.9249 4.9249 5.2663 5.2663 5.7832 5.7832 6.4063 6.4063 8.9099 8.9099 9.0822 9.0822 10.0780 10.0780 10.1906 10.1906 k =-0.5000 0.1582 0.5581 ( 1790 PWs) bands (ev): -6.9014 -6.9014 -6.4824 -6.4824 -2.1365 -2.1365 -1.6546 -1.6546 4.2967 4.2967 4.6453 4.6453 4.8532 4.8532 5.2561 5.2561 5.7395 5.7395 6.5138 6.5138 8.8680 8.8680 9.0877 9.0877 10.0450 10.0450 10.2112 10.2112 k =-0.5000 0.1582 0.5406 ( 1794 PWs) bands (ev): -6.9534 -6.9534 -6.4323 -6.4323 -2.1765 -2.1765 -1.5764 -1.5764 4.2538 4.2538 4.6875 4.6875 4.7811 4.7811 5.2006 5.2006 5.7400 5.7400 6.6168 6.6168 8.8248 8.8248 9.0850 9.0850 10.0056 10.0056 10.2375 10.2375 k =-0.5000 0.1582 0.5232 ( 1788 PWs) bands (ev): -7.0048 -7.0048 -6.3833 -6.3833 -2.2115 -2.2115 -1.4947 -1.4947 4.2113 4.2113 4.7054 4.7054 4.7324 4.7324 5.1102 5.1102 5.7743 5.7743 6.7138 6.7138 8.7810 8.7810 9.0749 9.0749 9.9596 9.9596 10.2704 10.2704 k =-0.5000 0.1582 0.5058 ( 1796 PWs) bands (ev): -7.0555 -7.0555 -6.3357 -6.3357 -2.2414 -2.2414 -1.4095 -1.4095 4.1694 4.1694 4.6342 4.6342 4.7717 4.7717 5.0000 5.0000 5.8277 5.8277 6.8036 6.8036 8.7372 8.7372 9.0590 9.0590 9.9074 9.9074 10.3104 10.3104 k =-0.5000 0.1582 0.4883 ( 1796 PWs) bands (ev): -7.1053 -7.1053 -6.2896 -6.2896 -2.2660 -2.2660 -1.3211 -1.3211 4.1282 4.1282 4.5612 4.5612 4.8110 4.8110 4.8798 4.8798 5.8911 5.8911 6.8843 6.8843 8.6938 8.6938 9.0396 9.0396 9.8495 9.8495 10.3516 10.3517 k =-0.5000 0.1582 0.4709 ( 1790 PWs) bands (ev): -7.1542 -7.1542 -6.2452 -6.2452 -2.2853 -2.2853 -1.2296 -1.2296 4.0878 4.0878 4.4878 4.4878 4.7503 4.7503 4.8528 4.8528 5.9599 5.9599 6.9543 6.9543 8.6511 8.6511 9.0195 9.0195 9.7865 9.7865 10.3307 10.3307 k =-0.5000 0.1582 0.4534 ( 1790 PWs) bands (ev): -7.2020 -7.2020 -6.2027 -6.2027 -2.2992 -2.2992 -1.1351 -1.1351 4.0481 4.0481 4.4142 4.4142 4.6200 4.6200 4.8907 4.8907 6.0319 6.0319 7.0117 7.0117 8.6094 8.6094 9.0019 9.0019 9.7193 9.7193 10.3131 10.3131 k =-0.5000 0.1582 0.4360 ( 1786 PWs) bands (ev): -7.2487 -7.2487 -6.1622 -6.1622 -2.3076 -2.3076 -1.0376 -1.0376 4.0094 4.0094 4.3404 4.3404 4.4872 4.4872 4.9279 4.9279 6.1055 6.1055 7.0548 7.0548 8.5690 8.5690 8.9898 8.9898 9.6486 9.6486 10.2993 10.2993 k =-0.5000 0.1582 0.4186 ( 1786 PWs) bands (ev): -7.2941 -7.2941 -6.1239 -6.1239 -2.3105 -2.3105 -0.9375 -0.9375 3.9716 3.9716 4.2661 4.2661 4.3530 4.3530 4.9640 4.9640 6.1802 6.1802 7.0821 7.0821 8.5300 8.5300 8.9858 8.9858 9.5752 9.5752 10.2892 10.2892 k =-0.5000 0.1582 0.4011 ( 1788 PWs) bands (ev): -7.3381 -7.3381 -6.0879 -6.0879 -2.3080 -2.3080 -0.8346 -0.8346 3.9348 3.9348 4.1914 4.1914 4.2182 4.2182 4.9988 4.9988 6.2553 6.2553 7.0928 7.0928 8.4926 8.4926 8.9919 8.9919 9.4998 9.4998 10.2829 10.2829 k =-0.5000 0.1582 0.3837 ( 1794 PWs) bands (ev): -7.3808 -7.3808 -6.0542 -6.0542 -2.3001 -2.3001 -0.7293 -0.7293 3.8988 3.8988 4.0834 4.0834 4.1161 4.1161 5.0322 5.0322 6.3304 6.3304 7.0870 7.0870 8.4569 8.4569 9.0089 9.0089 9.4232 9.4232 10.2801 10.2801 k =-0.5000 0.1582 0.3662 ( 1784 PWs) bands (ev): -7.4219 -7.4219 -6.0230 -6.0230 -2.2869 -2.2869 -0.6215 -0.6215 3.8629 3.8629 3.9501 3.9501 4.0401 4.0401 5.0643 5.0643 6.4053 6.4053 7.0655 7.0655 8.4230 8.4230 9.0369 9.0369 9.3459 9.3459 10.2807 10.2807 k =-0.5000 0.1582 0.3488 ( 1786 PWs) bands (ev): -7.4616 -7.4616 -5.9942 -5.9942 -2.2686 -2.2686 -0.5115 -0.5115 3.8039 3.8039 3.8416 3.8416 3.9631 3.9631 5.0948 5.0948 6.4795 6.4795 7.0300 7.0300 8.3909 8.3909 9.0749 9.0749 9.2687 9.2687 10.2847 10.2847 k =-0.5000 0.1582 0.3314 ( 1794 PWs) bands (ev): -7.4996 -7.4996 -5.9678 -5.9678 -2.2454 -2.2454 -0.3993 -0.3993 3.6773 3.6773 3.8030 3.8030 3.8850 3.8850 5.1238 5.1238 6.5530 6.5530 6.9826 6.9826 8.3608 8.3608 9.1214 9.1214 9.1921 9.1921 10.2917 10.2917 k =-0.5000 0.1582 0.3139 ( 1794 PWs) bands (ev): -7.5359 -7.5359 -5.9439 -5.9439 -2.2176 -2.2176 -0.2851 -0.2851 3.5462 3.5462 3.7711 3.7711 3.8061 3.8061 5.1512 5.1512 6.6255 6.6255 6.9259 6.9259 8.3325 8.3325 9.1160 9.1160 9.1750 9.1750 10.3017 10.3017 k =-0.5000 0.1582 0.2965 ( 1802 PWs) bands (ev): -7.5706 -7.5706 -5.9223 -5.9223 -2.1856 -2.1856 -0.1690 -0.1690 3.4163 3.4163 3.7225 3.7225 3.7443 3.7443 5.1770 5.1770 6.6965 6.6965 6.8620 6.8620 8.3060 8.3060 9.0419 9.0419 9.2330 9.2330 10.3143 10.3143 k =-0.5000 0.1582 0.2790 ( 1792 PWs) bands (ev): -7.6034 -7.6034 -5.9029 -5.9029 -2.1496 -2.1496 -0.0511 -0.0511 3.2885 3.2885 3.6409 3.6409 3.7154 3.7154 5.2012 5.2012 6.7643 6.7643 6.7952 6.7952 8.2814 8.2814 8.9697 8.9697 9.2941 9.2941 10.3293 10.3293 k =-0.5000 0.1582 0.2616 ( 1790 PWs) bands (ev): -7.6345 -7.6345 -5.8857 -5.8857 -2.1103 -2.1103 0.0685 0.0685 3.1633 3.1633 3.5565 3.5565 3.6891 3.6891 5.2237 5.2237 6.7201 6.7201 6.8356 6.8356 8.2584 8.2584 8.8996 8.8996 9.3568 9.3568 10.3464 10.3464 k =-0.5000 0.1582 0.2442 ( 1790 PWs) bands (ev): -7.6638 -7.6638 -5.8705 -5.8705 -2.0680 -2.0680 0.1894 0.1894 3.0411 3.0411 3.4697 3.4697 3.6644 3.6644 5.2447 5.2447 6.6472 6.6472 6.9017 6.9017 8.2370 8.2370 8.8323 8.8323 9.4195 9.4195 10.3652 10.3652 k =-0.5000 0.1582 0.2267 ( 1782 PWs) bands (ev): -7.6911 -7.6911 -5.8572 -5.8572 -2.0234 -2.0234 0.3118 0.3118 2.9226 2.9226 3.3807 3.3807 3.6413 3.6413 5.2640 5.2640 6.5743 6.5743 6.9659 6.9659 8.2168 8.2168 8.7680 8.7680 9.4812 9.4812 10.3854 10.3854 k =-0.5000 0.1582 0.2093 ( 1782 PWs) bands (ev): -7.7166 -7.7166 -5.8457 -5.8457 -1.9772 -1.9772 0.4352 0.4352 2.8082 2.8082 3.2891 3.2891 3.6198 3.6198 5.2818 5.2818 6.5029 6.5029 7.0280 7.0280 8.1977 8.1977 8.7071 8.7071 9.5408 9.5408 10.4066 10.4066 k =-0.5000 0.1582 0.1918 ( 1782 PWs) bands (ev): -7.7401 -7.7401 -5.8357 -5.8357 -1.9299 -1.9299 0.5597 0.5597 2.6987 2.6987 3.1950 3.1950 3.5999 3.5999 5.2979 5.2979 6.4341 6.4341 7.0878 7.0878 8.1793 8.1793 8.6502 8.6502 9.5975 9.5975 10.4283 10.4283 k =-0.5000 0.1582 0.1744 ( 1782 PWs) bands (ev): -7.7617 -7.7617 -5.8272 -5.8272 -1.8824 -1.8824 0.6848 0.6848 2.5947 2.5947 3.0983 3.0983 3.5817 3.5817 5.3126 5.3126 6.3688 6.3688 7.1449 7.1449 8.1612 8.1612 8.5976 8.5976 9.6506 9.6506 10.4503 10.4503 k =-0.5000 0.1582 0.1570 ( 1782 PWs) bands (ev): -7.7813 -7.7813 -5.8200 -5.8200 -1.8354 -1.8354 0.8106 0.8106 2.4970 2.4970 2.9989 2.9989 3.5652 3.5652 5.3257 5.3257 6.3078 6.3078 7.1992 7.1992 8.1431 8.1431 8.5499 8.5499 9.6997 9.6997 10.4719 10.4719 k =-0.5000 0.1582 0.1395 ( 1784 PWs) bands (ev): -7.7988 -7.7988 -5.8140 -5.8140 -1.7899 -1.7899 0.9366 0.9366 2.4063 2.4063 2.8969 2.8969 3.5504 3.5504 5.3373 5.3373 6.2517 6.2517 7.2505 7.2505 8.1245 8.1245 8.5075 8.5075 9.7443 9.7443 10.4928 10.4928 k =-0.5000 0.1582 0.1221 ( 1784 PWs) bands (ev): -7.8144 -7.8144 -5.8090 -5.8090 -1.7467 -1.7467 1.0625 1.0625 2.3234 2.3234 2.7925 2.7925 3.5372 3.5372 5.3474 5.3474 6.2012 6.2012 7.2984 7.2984 8.1053 8.1053 8.4707 8.4707 9.7841 9.7841 10.5125 10.5125 k =-0.5000 0.1582 0.1046 ( 1772 PWs) bands (ev): -7.8279 -7.8279 -5.8049 -5.8049 -1.7067 -1.7067 1.1881 1.1881 2.2492 2.2492 2.6859 2.6859 3.5258 3.5258 5.3561 5.3561 6.1567 6.1567 7.3426 7.3426 8.0854 8.0854 8.4398 8.4398 9.8189 9.8189 10.5306 10.5306 k =-0.5000 0.1582 0.0872 ( 1772 PWs) bands (ev): -7.8393 -7.8393 -5.8016 -5.8016 -1.6709 -1.6709 1.3126 1.3126 2.1845 2.1845 2.5775 2.5775 3.5161 3.5161 5.3635 5.3635 6.1185 6.1185 7.3825 7.3825 8.0653 8.0653 8.4147 8.4147 9.8485 9.8485 10.5467 10.5467 k =-0.5000 0.1582 0.0698 ( 1772 PWs) bands (ev): -7.8487 -7.8487 -5.7991 -5.7991 -1.6401 -1.6401 1.4353 1.4353 2.1302 2.1302 2.4680 2.4680 3.5082 3.5082 5.3694 5.3694 6.0869 6.0869 7.4174 7.4174 8.0459 8.0459 8.3951 8.3951 9.8729 9.8729 10.5605 10.5605 k =-0.5000 0.1582 0.0523 ( 1772 PWs) bands (ev): -7.8560 -7.8560 -5.7972 -5.7972 -1.6153 -1.6153 1.5545 1.5545 2.0871 2.0871 2.3592 2.3592 3.5020 3.5020 5.3740 5.3740 6.0621 6.0621 7.4464 7.4464 8.0283 8.0283 8.3806 8.3806 9.8919 9.8919 10.5715 10.5715 k =-0.5000 0.1582 0.0349 ( 1772 PWs) bands (ev): -7.8612 -7.8612 -5.7959 -5.7959 -1.5969 -1.5969 1.6666 1.6666 2.0558 2.0558 2.2546 2.2546 3.4976 3.4976 5.3773 5.3773 6.0443 6.0443 7.4684 7.4684 8.0141 8.0141 8.3707 8.3707 9.9054 9.9054 10.5796 10.5796 k =-0.5000 0.1582 0.0174 ( 1776 PWs) bands (ev): -7.8643 -7.8643 -5.7951 -5.7951 -1.5857 -1.5857 1.7605 1.7605 2.0367 2.0367 2.1652 2.1652 3.4949 3.4949 5.3793 5.3793 6.0335 6.0335 7.4822 7.4822 8.0048 8.0048 8.3650 8.3650 9.9136 9.9136 10.5845 10.5845 k =-0.5000 0.1582 0.0000 ( 1776 PWs) bands (ev): -7.8654 -7.8654 -5.7948 -5.7948 -1.5819 -1.5819 1.8031 1.8031 2.0304 2.0304 2.1241 2.1241 3.4940 3.4940 5.3799 5.3799 6.0299 6.0299 7.4869 7.4869 8.0016 8.0016 8.3631 8.3631 9.9163 9.9163 10.5862 10.5862 k = 0.0000 0.0000 0.6278 ( 1796 PWs) bands (ev): -6.8061 -6.8061 -6.8061 -6.8061 -1.0970 -1.0970 -1.0970 -1.0970 2.8297 2.8297 2.8297 2.8297 4.5236 4.5236 4.5236 4.5236 6.4742 6.4742 6.4742 6.4742 9.0637 9.0637 9.0637 9.0637 10.2397 10.2397 10.2397 10.2397 k =-0.0167 0.0053 0.6278 ( 1796 PWs) bands (ev): -6.8058 -6.8058 -6.8058 -6.8058 -1.0999 -1.0999 -1.0999 -1.0999 2.8351 2.8351 2.8351 2.8351 4.5235 4.5235 4.5235 4.5235 6.4738 6.4738 6.4738 6.4738 9.0641 9.0641 9.0641 9.0641 10.2407 10.2407 10.2407 10.2407 k =-0.0333 0.0105 0.6278 ( 1792 PWs) bands (ev): -6.8049 -6.8049 -6.8049 -6.8049 -1.1086 -1.1086 -1.1086 -1.1086 2.8513 2.8513 2.8513 2.8513 4.5231 4.5231 4.5231 4.5231 6.4726 6.4726 6.4726 6.4726 9.0652 9.0652 9.0652 9.0652 10.2438 10.2438 10.2438 10.2438 k =-0.0500 0.0158 0.6278 ( 1792 PWs) bands (ev): -6.8034 -6.8034 -6.8034 -6.8034 -1.1230 -1.1230 -1.1230 -1.1230 2.8781 2.8781 2.8781 2.8781 4.5223 4.5223 4.5223 4.5223 6.4706 6.4706 6.4706 6.4706 9.0671 9.0671 9.0671 9.0671 10.2490 10.2490 10.2490 10.2490 k =-0.0667 0.0211 0.6278 ( 1800 PWs) bands (ev): -6.8013 -6.8013 -6.8013 -6.8013 -1.1426 -1.1426 -1.1426 -1.1426 2.9152 2.9152 2.9152 2.9152 4.5213 4.5213 4.5213 4.5213 6.4678 6.4678 6.4678 6.4678 9.0697 9.0697 9.0697 9.0697 10.2562 10.2562 10.2562 10.2562 k =-0.0833 0.0264 0.6278 ( 1796 PWs) bands (ev): -6.7987 -6.7987 -6.7987 -6.7987 -1.1671 -1.1671 -1.1671 -1.1671 2.9620 2.9620 2.9620 2.9620 4.5201 4.5201 4.5201 4.5201 6.4641 6.4641 6.4641 6.4641 9.0729 9.0729 9.0729 9.0729 10.2653 10.2653 10.2653 10.2653 k =-0.1000 0.0316 0.6278 ( 1796 PWs) bands (ev): -6.7956 -6.7956 -6.7956 -6.7956 -1.1960 -1.1960 -1.1960 -1.1960 3.0181 3.0181 3.0181 3.0181 4.5186 4.5186 4.5186 4.5186 6.4597 6.4597 6.4597 6.4597 9.0766 9.0766 9.0766 9.0766 10.2763 10.2763 10.2763 10.2763 k =-0.1167 0.0369 0.6278 ( 1796 PWs) bands (ev): -6.7919 -6.7919 -6.7919 -6.7919 -1.2287 -1.2287 -1.2287 -1.2287 3.0828 3.0828 3.0828 3.0828 4.5168 4.5168 4.5168 4.5168 6.4543 6.4543 6.4543 6.4543 9.0809 9.0809 9.0809 9.0809 10.2891 10.2891 10.2891 10.2891 k =-0.1333 0.0422 0.6278 ( 1798 PWs) bands (ev): -6.7878 -6.7878 -6.7878 -6.7878 -1.2646 -1.2646 -1.2646 -1.2646 3.1555 3.1555 3.1555 3.1555 4.5149 4.5149 4.5149 4.5149 6.4481 6.4481 6.4481 6.4481 9.0855 9.0855 9.0855 9.0855 10.3036 10.3036 10.3036 10.3036 k =-0.1500 0.0475 0.6278 ( 1796 PWs) bands (ev): -6.7833 -6.7833 -6.7833 -6.7833 -1.3032 -1.3032 -1.3032 -1.3032 3.2354 3.2354 3.2354 3.2354 4.5127 4.5127 4.5127 4.5127 6.4410 6.4410 6.4410 6.4410 9.0905 9.0905 9.0905 9.0905 10.3196 10.3196 10.3196 10.3196 k =-0.1667 0.0527 0.6278 ( 1792 PWs) bands (ev): -6.7784 -6.7784 -6.7784 -6.7784 -1.3439 -1.3439 -1.3439 -1.3439 3.3220 3.3220 3.3220 3.3220 4.5104 4.5104 4.5104 4.5104 6.4330 6.4330 6.4330 6.4330 9.0955 9.0955 9.0955 9.0955 10.3370 10.3370 10.3370 10.3370 k =-0.1833 0.0580 0.6278 ( 1794 PWs) bands (ev): -6.7731 -6.7731 -6.7731 -6.7731 -1.3860 -1.3860 -1.3860 -1.3860 3.4144 3.4144 3.4144 3.4144 4.5080 4.5080 4.5080 4.5080 6.4241 6.4241 6.4241 6.4241 9.1005 9.1005 9.1005 9.1005 10.3557 10.3557 10.3557 10.3557 k =-0.2000 0.0633 0.6278 ( 1794 PWs) bands (ev): -6.7676 -6.7676 -6.7676 -6.7676 -1.4291 -1.4291 -1.4291 -1.4291 3.5119 3.5119 3.5119 3.5119 4.5054 4.5054 4.5054 4.5054 6.4141 6.4141 6.4141 6.4141 9.1054 9.1054 9.1054 9.1054 10.3754 10.3754 10.3754 10.3754 k =-0.2167 0.0685 0.6278 ( 1798 PWs) bands (ev): -6.7619 -6.7619 -6.7619 -6.7619 -1.4726 -1.4726 -1.4726 -1.4726 3.6139 3.6139 3.6140 3.6140 4.5028 4.5028 4.5028 4.5028 6.4030 6.4030 6.4030 6.4030 9.1098 9.1098 9.1098 9.1098 10.3960 10.3960 10.3960 10.3960 k =-0.2333 0.0738 0.6278 ( 1794 PWs) bands (ev): -6.7560 -6.7560 -6.7560 -6.7560 -1.5160 -1.5160 -1.5160 -1.5160 3.7197 3.7197 3.7197 3.7197 4.5001 4.5001 4.5001 4.5001 6.3907 6.3907 6.3907 6.3907 9.1136 9.1136 9.1136 9.1136 10.4173 10.4173 10.4173 10.4173 k =-0.2500 0.0791 0.6278 ( 1790 PWs) bands (ev): -6.7499 -6.7499 -6.7499 -6.7499 -1.5590 -1.5590 -1.5590 -1.5590 3.8284 3.8284 3.8284 3.8284 4.4974 4.4974 4.4974 4.4974 6.3773 6.3773 6.3773 6.3773 9.1166 9.1166 9.1166 9.1166 10.4390 10.4390 10.4390 10.4390 k =-0.2667 0.0844 0.6278 ( 1794 PWs) bands (ev): -6.7439 -6.7439 -6.7439 -6.7439 -1.6009 -1.6009 -1.6009 -1.6009 3.9394 3.9394 3.9395 3.9395 4.4948 4.4948 4.4948 4.4948 6.3625 6.3625 6.3625 6.3625 9.1185 9.1185 9.1185 9.1185 10.4610 10.4610 10.4610 10.4610 k =-0.2833 0.0896 0.6278 ( 1794 PWs) bands (ev): -6.7378 -6.7378 -6.7378 -6.7378 -1.6416 -1.6416 -1.6416 -1.6416 4.0520 4.0520 4.0520 4.0520 4.4922 4.4922 4.4922 4.4922 6.3462 6.3462 6.3462 6.3462 9.1190 9.1190 9.1190 9.1190 10.4829 10.4829 10.4829 10.4829 k =-0.3000 0.0949 0.6278 ( 1792 PWs) bands (ev): -6.7319 -6.7319 -6.7319 -6.7319 -1.6806 -1.6806 -1.6806 -1.6806 4.1651 4.1651 4.1651 4.1651 4.4897 4.4897 4.4897 4.4897 6.3284 6.3284 6.3284 6.3284 9.1180 9.1180 9.1180 9.1180 10.5046 10.5046 10.5046 10.5046 k =-0.3167 0.1002 0.6278 ( 1796 PWs) bands (ev): -6.7262 -6.7262 -6.7261 -6.7261 -1.7175 -1.7175 -1.7175 -1.7175 4.2781 4.2781 4.2781 4.2781 4.4874 4.4874 4.4874 4.4874 6.3090 6.3090 6.3090 6.3090 9.1151 9.1151 9.1151 9.1151 10.5258 10.5258 10.5258 10.5258 k =-0.3333 0.1055 0.6278 ( 1794 PWs) bands (ev): -6.7206 -6.7206 -6.7206 -6.7206 -1.7522 -1.7522 -1.7522 -1.7522 4.3894 4.3894 4.3894 4.3894 4.4858 4.4858 4.4858 4.4858 6.2878 6.2878 6.2878 6.2878 9.1103 9.1103 9.1103 9.1103 10.5461 10.5461 10.5461 10.5461 k =-0.3500 0.1107 0.6278 ( 1794 PWs) bands (ev): -6.7154 -6.7154 -6.7154 -6.7154 -1.7844 -1.7844 -1.7844 -1.7844 4.4764 4.4764 4.4764 4.4764 4.5065 4.5065 4.5065 4.5065 6.2649 6.2649 6.2649 6.2649 9.1034 9.1034 9.1034 9.1034 10.5613 10.5613 10.5613 10.5613 k =-0.3667 0.1160 0.6278 ( 1794 PWs) bands (ev): -6.7105 -6.7105 -6.7105 -6.7105 -1.8138 -1.8138 -1.8138 -1.8138 4.4789 4.4789 4.4789 4.4789 4.6088 4.6088 4.6088 4.6088 6.2404 6.2404 6.2404 6.2404 9.0945 9.0945 9.0945 9.0945 10.4819 10.4819 10.4819 10.4819 k =-0.3833 0.1213 0.6278 ( 1790 PWs) bands (ev): -6.7060 -6.7060 -6.7060 -6.7060 -1.8402 -1.8402 -1.8402 -1.8402 4.4775 4.4775 4.4775 4.4775 4.7106 4.7106 4.7106 4.7106 6.2143 6.2143 6.2143 6.2143 9.0838 9.0838 9.0838 9.0838 10.4027 10.4027 10.4027 10.4027 k =-0.4000 0.1265 0.6278 ( 1792 PWs) bands (ev): -6.7020 -6.7020 -6.7020 -6.7020 -1.8634 -1.8634 -1.8634 -1.8634 4.4760 4.4760 4.4760 4.4760 4.8066 4.8066 4.8066 4.8066 6.1872 6.1872 6.1872 6.1872 9.0718 9.0718 9.0718 9.0718 10.3335 10.3335 10.3335 10.3335 k =-0.4167 0.1318 0.6278 ( 1790 PWs) bands (ev): -6.6986 -6.6986 -6.6986 -6.6986 -1.8834 -1.8834 -1.8834 -1.8834 4.4746 4.4746 4.4746 4.4746 4.8948 4.8948 4.8948 4.8948 6.1597 6.1597 6.1597 6.1597 9.0593 9.0593 9.0593 9.0593 10.2750 10.2750 10.2750 10.2750 k =-0.4333 0.1371 0.6278 ( 1786 PWs) bands (ev): -6.6957 -6.6957 -6.6957 -6.6957 -1.8999 -1.8999 -1.8999 -1.8999 4.4735 4.4735 4.4735 4.4735 4.9729 4.9729 4.9729 4.9729 6.1330 6.1330 6.1330 6.1330 9.0470 9.0470 9.0470 9.0470 10.2274 10.2274 10.2274 10.2274 k =-0.4500 0.1424 0.6278 ( 1778 PWs) bands (ev): -6.6934 -6.6934 -6.6934 -6.6934 -1.9128 -1.9128 -1.9128 -1.9128 4.4726 4.4726 4.4726 4.4726 5.0383 5.0383 5.0383 5.0383 6.1087 6.1087 6.1087 6.1087 9.0360 9.0360 9.0360 9.0360 10.1906 10.1906 10.1906 10.1906 k =-0.4667 0.1476 0.6278 ( 1778 PWs) bands (ev): -6.6917 -6.6917 -6.6917 -6.6917 -1.9221 -1.9221 -1.9221 -1.9221 4.4719 4.4719 4.4719 4.4719 5.0881 5.0881 5.0881 5.0881 6.0889 6.0889 6.0889 6.0889 9.0273 9.0273 9.0273 9.0273 10.1645 10.1645 10.1645 10.1645 k =-0.4833 0.1529 0.6278 ( 1778 PWs) bands (ev): -6.6907 -6.6907 -6.6907 -6.6907 -1.9277 -1.9277 -1.9277 -1.9277 4.4715 4.4715 4.4715 4.4715 5.1195 5.1195 5.1195 5.1195 6.0758 6.0758 6.0758 6.0758 9.0217 9.0217 9.0217 9.0217 10.1490 10.1490 10.1490 10.1490 k =-0.5000 0.1582 0.6278 ( 1776 PWs) bands (ev): -6.6904 -6.6904 -6.6904 -6.6904 -1.9296 -1.9296 -1.9296 -1.9296 4.4713 4.4713 4.4713 4.4713 5.1302 5.1302 5.1302 5.1302 6.0712 6.0712 6.0712 6.0712 9.0197 9.0197 9.0197 9.0197 10.1438 10.1438 10.1438 10.1438 Writing output data file P.save init_run : 0.10s CPU 0.24s WALL ( 1 calls) electrons : 62.40s CPU 64.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 62.39s CPU 64.57s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.02s WALL ( 440 calls) cegterg : 57.12s CPU 58.33s WALL ( 456 calls) Called by sum_band: Called by *egterg: h_psi : 30.03s CPU 31.05s WALL ( 7610 calls) s_psi : 2.65s CPU 2.58s WALL ( 7610 calls) g_psi : 0.08s CPU 0.08s WALL ( 6714 calls) cdiaghg : 23.57s CPU 23.84s WALL ( 7154 calls) cegterg:over : 1.77s CPU 1.75s WALL ( 6714 calls) cegterg:upda : 1.18s CPU 1.25s WALL ( 6714 calls) cegterg:last : 0.63s CPU 0.68s WALL ( 1448 calls) cdiaghg:chol : 1.20s CPU 1.21s WALL ( 7154 calls) cdiaghg:inve : 0.45s CPU 0.50s WALL ( 7154 calls) cdiaghg:para : 1.49s CPU 1.46s WALL ( 14308 calls) Called by h_psi: h_psi:vloc : 24.68s CPU 25.33s WALL ( 7610 calls) h_psi:vnl : 5.32s CPU 5.68s WALL ( 7610 calls) add_vuspsi : 2.90s CPU 3.22s WALL ( 7610 calls) General routines calbec : 2.40s CPU 2.44s WALL ( 7610 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 23.45s CPU 23.94s WALL ( 533160 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.60s WALL ( 880 calls) Parallel routines fft_scatter : 10.43s CPU 10.45s WALL ( 533183 calls) PWSCF : 1m10.94s CPU 1m31.62s WALL This run was terminated on: 21: 4:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=