Program PWSCF v.5.1.1 starts on 21Jul2015 at 6:24:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./InBr.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 32 9 1179 868 135 Max 40 33 10 1186 883 140 Sum 1895 1555 455 56723 42079 6587 bravais-lattice index = 14 lattice parameter (alat) = 12.4422 a.u. unit-cell volume = 881.9294 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.442224 celldm(2)= 1.000000 celldm(3)= 0.718393 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.770575 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.770575 0.637350 0.000000 ) a(3) = ( 0.000000 0.000000 0.718393 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.209030 -0.000000 ) b(2) = ( 0.000000 1.568997 -0.000000 ) b(3) = ( 0.000000 0.000000 1.391996 ) PseudoPot. # 1 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Br 7.00 79.90400 Br( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 370 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0070599 0.0196125 -0.0000000), wk = 0.0027027 k( 3) = ( 0.0141197 0.0392249 -0.0000000), wk = 0.0027027 k( 4) = ( 0.0211796 0.0588374 -0.0000000), wk = 0.0027027 k( 5) = ( 0.0282394 0.0784499 -0.0000000), wk = 0.0027027 k( 6) = ( 0.0352993 0.0980623 -0.0000000), wk = 0.0027027 k( 7) = ( 0.0423591 0.1176748 -0.0000000), wk = 0.0027027 k( 8) = ( 0.0494190 0.1372873 -0.0000000), wk = 0.0027027 k( 9) = ( 0.0564788 0.1568997 -0.0000000), wk = 0.0027027 k( 10) = ( 0.0635387 0.1765122 -0.0000000), wk = 0.0027027 k( 11) = ( 0.0705985 0.1961247 -0.0000000), wk = 0.0027027 k( 12) = ( 0.0776584 0.2157371 -0.0000000), wk = 0.0027027 k( 13) = ( 0.0847183 0.2353496 -0.0000000), wk = 0.0027027 k( 14) = ( 0.0917781 0.2549621 -0.0000000), wk = 0.0027027 k( 15) = ( 0.0988380 0.2745745 -0.0000000), wk = 0.0027027 k( 16) = ( 0.1058978 0.2941870 -0.0000000), wk = 0.0027027 k( 17) = ( 0.1129577 0.3137995 -0.0000000), wk = 0.0027027 k( 18) = ( 0.1200175 0.3334119 -0.0000000), wk = 0.0027027 k( 19) = ( 0.1270774 0.3530244 -0.0000000), wk = 0.0027027 k( 20) = ( 0.1341372 0.3726369 -0.0000000), wk = 0.0027027 k( 21) = ( 0.1411971 0.3922493 -0.0000000), wk = 0.0027027 k( 22) = ( 0.1482569 0.4118618 -0.0000000), wk = 0.0027027 k( 23) = ( 0.1553168 0.4314742 -0.0000000), wk = 0.0027027 k( 24) = ( 0.1623767 0.4510867 -0.0000000), wk = 0.0027027 k( 25) = ( 0.1694365 0.4706992 -0.0000000), wk = 0.0027027 k( 26) = ( 0.1764964 0.4903117 -0.0000000), wk = 0.0027027 k( 27) = ( 0.1835562 0.5099241 -0.0000000), wk = 0.0027027 k( 28) = ( 0.1906161 0.5295366 -0.0000000), wk = 0.0027027 k( 29) = ( 0.1976759 0.5491491 -0.0000000), wk = 0.0027027 k( 30) = ( 0.2047358 0.5687615 -0.0000000), wk = 0.0027027 k( 31) = ( 0.2117956 0.5883740 -0.0000000), wk = 0.0027027 k( 32) = ( 0.2188555 0.6079865 -0.0000000), wk = 0.0027027 k( 33) = ( 0.2259153 0.6275989 -0.0000000), wk = 0.0027027 k( 34) = ( 0.2329752 0.6472114 -0.0000000), wk = 0.0027027 k( 35) = ( 0.2400351 0.6668239 -0.0000000), wk = 0.0027027 k( 36) = ( 0.2470949 0.6864363 -0.0000000), wk = 0.0027027 k( 37) = ( 0.2541548 0.7060488 -0.0000000), wk = 0.0027027 k( 38) = ( 0.2612146 0.7256612 -0.0000000), wk = 0.0027027 k( 39) = ( 0.2682745 0.7452737 -0.0000000), wk = 0.0027027 k( 40) = ( 0.2753343 0.7648862 -0.0000000), wk = 0.0027027 k( 41) = ( 0.2823942 0.7844987 -0.0000000), wk = 0.0027027 k( 42) = ( 0.2823942 0.7844987 -0.0000000), wk = 0.0027027 k( 43) = ( 0.2622232 0.7844987 -0.0000000), wk = 0.0027027 k( 44) = ( 0.2420522 0.7844986 -0.0000000), wk = 0.0027027 k( 45) = ( 0.2218811 0.7844987 -0.0000000), wk = 0.0027027 k( 46) = ( 0.2017101 0.7844987 -0.0000000), wk = 0.0027027 k( 47) = ( 0.1815391 0.7844987 -0.0000000), wk = 0.0027027 k( 48) = ( 0.1613681 0.7844987 -0.0000000), wk = 0.0027027 k( 49) = ( 0.1411971 0.7844986 -0.0000000), wk = 0.0027027 k( 50) = ( 0.1210261 0.7844987 -0.0000000), wk = 0.0027027 k( 51) = ( 0.1008551 0.7844987 -0.0000000), wk = 0.0027027 k( 52) = ( 0.0806840 0.7844986 -0.0000000), wk = 0.0027027 k( 53) = ( 0.0605130 0.7844986 -0.0000000), wk = 0.0027027 k( 54) = ( 0.0403420 0.7844987 -0.0000000), wk = 0.0027027 k( 55) = ( 0.0201710 0.7844987 -0.0000000), wk = 0.0027027 k( 56) = ( 0.0000000 0.7844987 -0.0000000), wk = 0.0027027 k( 57) = ( 0.0000000 0.7844987 -0.0000000), wk = 0.0027027 k( 58) = ( 0.0000000 0.7844987 0.0204705), wk = 0.0027027 k( 59) = ( 0.0000000 0.7844987 0.0409411), wk = 0.0027027 k( 60) = ( 0.0000000 0.7844987 0.0614116), wk = 0.0027027 k( 61) = ( 0.0000000 0.7844987 0.0818821), wk = 0.0027027 k( 62) = ( 0.0000000 0.7844987 0.1023527), wk = 0.0027027 k( 63) = ( 0.0000000 0.7844987 0.1228232), wk = 0.0027027 k( 64) = ( 0.0000000 0.7844987 0.1432937), wk = 0.0027027 k( 65) = ( 0.0000000 0.7844987 0.1637643), wk = 0.0027027 k( 66) = ( 0.0000000 0.7844987 0.1842348), wk = 0.0027027 k( 67) = ( 0.0000000 0.7844987 0.2047053), wk = 0.0027027 k( 68) = ( 0.0000000 0.7844987 0.2251759), wk = 0.0027027 k( 69) = ( 0.0000000 0.7844987 0.2456464), wk = 0.0027027 k( 70) = ( 0.0000000 0.7844987 0.2661169), wk = 0.0027027 k( 71) = ( 0.0000000 0.7844987 0.2865874), wk = 0.0027027 k( 72) = ( 0.0000000 0.7844987 0.3070580), wk = 0.0027027 k( 73) = ( 0.0000000 0.7844987 0.3275285), wk = 0.0027027 k( 74) = ( 0.0000000 0.7844987 0.3479990), wk = 0.0027027 k( 75) = ( 0.0000000 0.7844987 0.3684696), wk = 0.0027027 k( 76) = ( 0.0000000 0.7844987 0.3889401), wk = 0.0027027 k( 77) = ( 0.0000000 0.7844987 0.4094106), wk = 0.0027027 k( 78) = ( 0.0000000 0.7844987 0.4298812), wk = 0.0027027 k( 79) = ( 0.0000000 0.7844987 0.4503517), wk = 0.0027027 k( 80) = ( 0.0000000 0.7844987 0.4708222), wk = 0.0027027 k( 81) = ( 0.0000000 0.7844987 0.4912928), wk = 0.0027027 k( 82) = ( 0.0000000 0.7844987 0.5117633), wk = 0.0027027 k( 83) = ( 0.0000000 0.7844987 0.5322338), wk = 0.0027027 k( 84) = ( 0.0000000 0.7844987 0.5527044), wk = 0.0027027 k( 85) = ( 0.0000000 0.7844987 0.5731749), wk = 0.0027027 k( 86) = ( 0.0000000 0.7844987 0.5936454), wk = 0.0027027 k( 87) = ( 0.0000000 0.7844987 0.6141160), wk = 0.0027027 k( 88) = ( 0.0000000 0.7844987 0.6345865), wk = 0.0027027 k( 89) = ( 0.0000000 0.7844987 0.6550570), wk = 0.0027027 k( 90) = ( 0.0000000 0.7844987 0.6755276), wk = 0.0027027 k( 91) = ( 0.0000000 0.7844987 0.6959981), wk = 0.0027027 k( 92) = ( 0.0000000 0.7844987 0.6959981), wk = 0.0027027 k( 93) = ( 0.0201710 0.7844987 0.6959981), wk = 0.0027027 k( 94) = ( 0.0403420 0.7844987 0.6959981), wk = 0.0027027 k( 95) = ( 0.0605130 0.7844986 0.6959981), wk = 0.0027027 k( 96) = ( 0.0806840 0.7844986 0.6959981), wk = 0.0027027 k( 97) = ( 0.1008551 0.7844987 0.6959981), wk = 0.0027027 k( 98) = ( 0.1210261 0.7844987 0.6959981), wk = 0.0027027 k( 99) = ( 0.1411971 0.7844986 0.6959981), wk = 0.0027027 k( 100) = ( 0.1613681 0.7844987 0.6959981), wk = 0.0027027 k( 101) = ( 0.1815391 0.7844987 0.6959981), wk = 0.0027027 k( 102) = ( 0.2017101 0.7844987 0.6959981), wk = 0.0027027 k( 103) = ( 0.2218811 0.7844987 0.6959981), wk = 0.0027027 k( 104) = ( 0.2420522 0.7844986 0.6959981), wk = 0.0027027 k( 105) = ( 0.2622232 0.7844987 0.6959981), wk = 0.0027027 k( 106) = ( 0.2823942 0.7844987 0.6959981), wk = 0.0027027 k( 107) = ( 0.2823942 0.7844987 0.6959981), wk = 0.0027027 k( 108) = ( 0.2753343 0.7648862 0.6959981), wk = 0.0027027 k( 109) = ( 0.2682745 0.7452737 0.6959981), wk = 0.0027027 k( 110) = ( 0.2612146 0.7256612 0.6959981), wk = 0.0027027 k( 111) = ( 0.2541548 0.7060488 0.6959981), wk = 0.0027027 k( 112) = ( 0.2470949 0.6864363 0.6959981), wk = 0.0027027 k( 113) = ( 0.2400351 0.6668239 0.6959981), wk = 0.0027027 k( 114) = ( 0.2329752 0.6472114 0.6959981), wk = 0.0027027 k( 115) = ( 0.2259153 0.6275989 0.6959981), wk = 0.0027027 k( 116) = ( 0.2188555 0.6079865 0.6959981), wk = 0.0027027 k( 117) = ( 0.2117956 0.5883740 0.6959981), wk = 0.0027027 k( 118) = ( 0.2047358 0.5687615 0.6959981), wk = 0.0027027 k( 119) = ( 0.1976759 0.5491491 0.6959981), wk = 0.0027027 k( 120) = ( 0.1906161 0.5295366 0.6959981), wk = 0.0027027 k( 121) = ( 0.1835562 0.5099241 0.6959981), wk = 0.0027027 k( 122) = ( 0.1764964 0.4903117 0.6959981), wk = 0.0027027 k( 123) = ( 0.1694365 0.4706992 0.6959981), wk = 0.0027027 k( 124) = ( 0.1623767 0.4510867 0.6959981), wk = 0.0027027 k( 125) = ( 0.1553168 0.4314742 0.6959981), wk = 0.0027027 k( 126) = ( 0.1482569 0.4118618 0.6959981), wk = 0.0027027 k( 127) = ( 0.1411971 0.3922493 0.6959981), wk = 0.0027027 k( 128) = ( 0.1341372 0.3726369 0.6959981), wk = 0.0027027 k( 129) = ( 0.1270774 0.3530244 0.6959981), wk = 0.0027027 k( 130) = ( 0.1200175 0.3334119 0.6959981), wk = 0.0027027 k( 131) = ( 0.1129577 0.3137995 0.6959981), wk = 0.0027027 k( 132) = ( 0.1058978 0.2941870 0.6959981), wk = 0.0027027 k( 133) = ( 0.0988380 0.2745745 0.6959981), wk = 0.0027027 k( 134) = ( 0.0917781 0.2549621 0.6959981), wk = 0.0027027 k( 135) = ( 0.0847183 0.2353496 0.6959981), wk = 0.0027027 k( 136) = ( 0.0776584 0.2157371 0.6959981), wk = 0.0027027 k( 137) = ( 0.0705985 0.1961247 0.6959981), wk = 0.0027027 k( 138) = ( 0.0635387 0.1765122 0.6959981), wk = 0.0027027 k( 139) = ( 0.0564788 0.1568997 0.6959981), wk = 0.0027027 k( 140) = ( 0.0494190 0.1372873 0.6959981), wk = 0.0027027 k( 141) = ( 0.0423591 0.1176748 0.6959981), wk = 0.0027027 k( 142) = ( 0.0352993 0.0980623 0.6959981), wk = 0.0027027 k( 143) = ( 0.0282394 0.0784499 0.6959981), wk = 0.0027027 k( 144) = ( 0.0211796 0.0588374 0.6959981), wk = 0.0027027 k( 145) = ( 0.0141197 0.0392249 0.6959981), wk = 0.0027027 k( 146) = ( 0.0070599 0.0196125 0.6959981), wk = 0.0027027 k( 147) = ( 0.0000000 0.0000000 0.6959981), wk = 0.0027027 k( 148) = ( 0.0000000 0.0000000 0.6959981), wk = 0.0027027 k( 149) = ( 0.0000000 0.0000000 0.6755276), wk = 0.0027027 k( 150) = ( 0.0000000 0.0000000 0.6550570), wk = 0.0027027 k( 151) = ( 0.0000000 0.0000000 0.6345865), wk = 0.0027027 k( 152) = ( 0.0000000 0.0000000 0.6141160), wk = 0.0027027 k( 153) = ( 0.0000000 0.0000000 0.5936454), wk = 0.0027027 k( 154) = ( 0.0000000 0.0000000 0.5731749), wk = 0.0027027 k( 155) = ( 0.0000000 0.0000000 0.5527044), wk = 0.0027027 k( 156) = ( 0.0000000 0.0000000 0.5322338), wk = 0.0027027 k( 157) = ( 0.0000000 0.0000000 0.5117633), wk = 0.0027027 k( 158) = ( 0.0000000 0.0000000 0.4912928), wk = 0.0027027 k( 159) = ( 0.0000000 0.0000000 0.4708222), wk = 0.0027027 k( 160) = ( 0.0000000 0.0000000 0.4503517), wk = 0.0027027 k( 161) = ( 0.0000000 0.0000000 0.4298812), wk = 0.0027027 k( 162) = ( 0.0000000 0.0000000 0.4094106), wk = 0.0027027 k( 163) = ( 0.0000000 0.0000000 0.3889401), wk = 0.0027027 k( 164) = ( 0.0000000 0.0000000 0.3684696), wk = 0.0027027 k( 165) = ( 0.0000000 0.0000000 0.3479990), wk = 0.0027027 k( 166) = ( 0.0000000 0.0000000 0.3275285), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.3070580), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.2865874), wk = 0.0027027 k( 169) = ( 0.0000000 0.0000000 0.2661169), wk = 0.0027027 k( 170) = ( 0.0000000 0.0000000 0.2456464), wk = 0.0027027 k( 171) = ( 0.0000000 0.0000000 0.2251759), wk = 0.0027027 k( 172) = ( 0.0000000 0.0000000 0.2047053), wk = 0.0027027 k( 173) = ( 0.0000000 0.0000000 0.1842348), wk = 0.0027027 k( 174) = ( 0.0000000 0.0000000 0.1637643), wk = 0.0027027 k( 175) = ( 0.0000000 0.0000000 0.1432937), wk = 0.0027027 k( 176) = ( 0.0000000 0.0000000 0.1228232), wk = 0.0027027 k( 177) = ( 0.0000000 0.0000000 0.1023527), wk = 0.0027027 k( 178) = ( 0.0000000 0.0000000 0.0818821), wk = 0.0027027 k( 179) = ( 0.0000000 0.0000000 0.0614116), wk = 0.0027027 k( 180) = ( 0.0000000 0.0000000 0.0409411), wk = 0.0027027 k( 181) = ( 0.0000000 0.0000000 0.0204705), wk = 0.0027027 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 184) = ( -0.0192308 0.0069225 0.0000000), wk = 0.0027027 k( 185) = ( -0.0384615 0.0138449 0.0000000), wk = 0.0027027 k( 186) = ( -0.0576923 0.0207674 0.0000000), wk = 0.0027027 k( 187) = ( -0.0769231 0.0276898 0.0000000), wk = 0.0027027 k( 188) = ( -0.0961538 0.0346123 0.0000000), wk = 0.0027027 k( 189) = ( -0.1153846 0.0415347 0.0000000), wk = 0.0027027 k( 190) = ( -0.1346154 0.0484572 0.0000000), wk = 0.0027027 k( 191) = ( -0.1538461 0.0553796 0.0000000), wk = 0.0027027 k( 192) = ( -0.1730769 0.0623021 0.0000000), wk = 0.0027027 k( 193) = ( -0.1923077 0.0692246 0.0000000), wk = 0.0027027 k( 194) = ( -0.2115385 0.0761470 0.0000000), wk = 0.0027027 k( 195) = ( -0.2307692 0.0830695 0.0000000), wk = 0.0027027 k( 196) = ( -0.2500000 0.0899919 0.0000000), wk = 0.0027027 k( 197) = ( -0.2692308 0.0969144 0.0000000), wk = 0.0027027 k( 198) = ( -0.2884615 0.1038368 0.0000000), wk = 0.0027027 k( 199) = ( -0.3076923 0.1107593 0.0000000), wk = 0.0027027 k( 200) = ( -0.3269231 0.1176818 0.0000000), wk = 0.0027027 k( 201) = ( -0.3461538 0.1246042 0.0000000), wk = 0.0027027 k( 202) = ( -0.3653846 0.1315267 0.0000000), wk = 0.0027027 k( 203) = ( -0.3846154 0.1384491 0.0000000), wk = 0.0027027 k( 204) = ( -0.4038462 0.1453716 0.0000000), wk = 0.0027027 k( 205) = ( -0.4230769 0.1522940 0.0000000), wk = 0.0027027 k( 206) = ( -0.4423077 0.1592165 0.0000000), wk = 0.0027027 k( 207) = ( -0.4615385 0.1661389 0.0000000), wk = 0.0027027 k( 208) = ( -0.4807692 0.1730614 0.0000000), wk = 0.0027027 k( 209) = ( -0.5000000 0.1799839 0.0000000), wk = 0.0027027 k( 210) = ( -0.5000000 0.1799839 0.0000000), wk = 0.0027027 k( 211) = ( -0.4929805 0.1994843 -0.0000000), wk = 0.0027027 k( 212) = ( -0.4859609 0.2189848 -0.0000000), wk = 0.0027027 k( 213) = ( -0.4789414 0.2384853 -0.0000000), wk = 0.0027027 k( 214) = ( -0.4719218 0.2579858 -0.0000000), wk = 0.0027027 k( 215) = ( -0.4649023 0.2774862 -0.0000000), wk = 0.0027027 k( 216) = ( -0.4578828 0.2969867 -0.0000000), wk = 0.0027027 k( 217) = ( -0.4508632 0.3164872 -0.0000000), wk = 0.0027027 k( 218) = ( -0.4438437 0.3359877 -0.0000000), wk = 0.0027027 k( 219) = ( -0.4368241 0.3554882 -0.0000000), wk = 0.0027027 k( 220) = ( -0.4298046 0.3749886 -0.0000000), wk = 0.0027027 k( 221) = ( -0.4227850 0.3944891 -0.0000000), wk = 0.0027027 k( 222) = ( -0.4157655 0.4139896 -0.0000000), wk = 0.0027027 k( 223) = ( -0.4087460 0.4334901 -0.0000000), wk = 0.0027027 k( 224) = ( -0.4017264 0.4529905 -0.0000000), wk = 0.0027027 k( 225) = ( -0.3947069 0.4724910 -0.0000000), wk = 0.0027027 k( 226) = ( -0.3876873 0.4919915 -0.0000000), wk = 0.0027027 k( 227) = ( -0.3806678 0.5114920 -0.0000000), wk = 0.0027027 k( 228) = ( -0.3736482 0.5309924 -0.0000000), wk = 0.0027027 k( 229) = ( -0.3666287 0.5504929 -0.0000000), wk = 0.0027027 k( 230) = ( -0.3596091 0.5699934 -0.0000000), wk = 0.0027027 k( 231) = ( -0.3525896 0.5894939 -0.0000000), wk = 0.0027027 k( 232) = ( -0.3455701 0.6089944 -0.0000000), wk = 0.0027027 k( 233) = ( -0.3385505 0.6284948 -0.0000000), wk = 0.0027027 k( 234) = ( -0.3315310 0.6479953 -0.0000000), wk = 0.0027027 k( 235) = ( -0.3245114 0.6674958 -0.0000000), wk = 0.0027027 k( 236) = ( -0.3174919 0.6869963 -0.0000000), wk = 0.0027027 k( 237) = ( -0.3104724 0.7064967 -0.0000000), wk = 0.0027027 k( 238) = ( -0.3034528 0.7259972 -0.0000000), wk = 0.0027027 k( 239) = ( -0.2964333 0.7454977 -0.0000000), wk = 0.0027027 k( 240) = ( -0.2894137 0.7649982 -0.0000000), wk = 0.0027027 k( 241) = ( -0.2823942 0.7844987 -0.0000000), wk = 0.0027027 k( 242) = ( -0.2823942 0.7844987 -0.0000000), wk = 0.0027027 k( 243) = ( -0.2823942 0.7844987 0.0204705), wk = 0.0027027 k( 244) = ( -0.2823942 0.7844987 0.0409411), wk = 0.0027027 k( 245) = ( -0.2823942 0.7844987 0.0614116), wk = 0.0027027 k( 246) = ( -0.2823942 0.7844987 0.0818821), wk = 0.0027027 k( 247) = ( -0.2823942 0.7844987 0.1023527), wk = 0.0027027 k( 248) = ( -0.2823942 0.7844987 0.1228232), wk = 0.0027027 k( 249) = ( -0.2823942 0.7844987 0.1432937), wk = 0.0027027 k( 250) = ( -0.2823942 0.7844987 0.1637643), wk = 0.0027027 k( 251) = ( -0.2823942 0.7844987 0.1842348), wk = 0.0027027 k( 252) = ( -0.2823942 0.7844987 0.2047053), wk = 0.0027027 k( 253) = ( -0.2823942 0.7844987 0.2251759), wk = 0.0027027 k( 254) = ( -0.2823942 0.7844987 0.2456464), wk = 0.0027027 k( 255) = ( -0.2823942 0.7844987 0.2661169), wk = 0.0027027 k( 256) = ( -0.2823942 0.7844987 0.2865874), wk = 0.0027027 k( 257) = ( -0.2823942 0.7844987 0.3070580), wk = 0.0027027 k( 258) = ( -0.2823942 0.7844987 0.3275285), wk = 0.0027027 k( 259) = ( -0.2823942 0.7844987 0.3479990), wk = 0.0027027 k( 260) = ( -0.2823942 0.7844987 0.3684696), wk = 0.0027027 k( 261) = ( -0.2823942 0.7844987 0.3889401), wk = 0.0027027 k( 262) = ( -0.2823942 0.7844987 0.4094106), wk = 0.0027027 k( 263) = ( -0.2823942 0.7844987 0.4298812), wk = 0.0027027 k( 264) = ( -0.2823942 0.7844987 0.4503517), wk = 0.0027027 k( 265) = ( -0.2823942 0.7844987 0.4708222), wk = 0.0027027 k( 266) = ( -0.2823942 0.7844987 0.4912928), wk = 0.0027027 k( 267) = ( -0.2823942 0.7844987 0.5117633), wk = 0.0027027 k( 268) = ( -0.2823942 0.7844987 0.5322338), wk = 0.0027027 k( 269) = ( -0.2823942 0.7844987 0.5527044), wk = 0.0027027 k( 270) = ( -0.2823942 0.7844987 0.5731749), wk = 0.0027027 k( 271) = ( -0.2823942 0.7844987 0.5936454), wk = 0.0027027 k( 272) = ( -0.2823942 0.7844987 0.6141160), wk = 0.0027027 k( 273) = ( -0.2823942 0.7844987 0.6345865), wk = 0.0027027 k( 274) = ( -0.2823942 0.7844987 0.6550570), wk = 0.0027027 k( 275) = ( -0.2823942 0.7844987 0.6755276), wk = 0.0027027 k( 276) = ( -0.2823942 0.7844987 0.6959981), wk = 0.0027027 k( 277) = ( -0.2823942 0.7844987 0.6959981), wk = 0.0027027 k( 278) = ( -0.2894137 0.7649982 0.6959981), wk = 0.0027027 k( 279) = ( -0.2964333 0.7454977 0.6959981), wk = 0.0027027 k( 280) = ( -0.3034528 0.7259972 0.6959981), wk = 0.0027027 k( 281) = ( -0.3104724 0.7064967 0.6959981), wk = 0.0027027 k( 282) = ( -0.3174919 0.6869963 0.6959981), wk = 0.0027027 k( 283) = ( -0.3245114 0.6674958 0.6959981), wk = 0.0027027 k( 284) = ( -0.3315310 0.6479953 0.6959981), wk = 0.0027027 k( 285) = ( -0.3385505 0.6284948 0.6959981), wk = 0.0027027 k( 286) = ( -0.3455701 0.6089944 0.6959981), wk = 0.0027027 k( 287) = ( -0.3525896 0.5894939 0.6959981), wk = 0.0027027 k( 288) = ( -0.3596091 0.5699934 0.6959981), wk = 0.0027027 k( 289) = ( -0.3666287 0.5504929 0.6959981), wk = 0.0027027 k( 290) = ( -0.3736482 0.5309924 0.6959981), wk = 0.0027027 k( 291) = ( -0.3806678 0.5114920 0.6959981), wk = 0.0027027 k( 292) = ( -0.3876873 0.4919915 0.6959981), wk = 0.0027027 k( 293) = ( -0.3947069 0.4724910 0.6959981), wk = 0.0027027 k( 294) = ( -0.4017264 0.4529905 0.6959981), wk = 0.0027027 k( 295) = ( -0.4087460 0.4334901 0.6959981), wk = 0.0027027 k( 296) = ( -0.4157655 0.4139896 0.6959981), wk = 0.0027027 k( 297) = ( -0.4227850 0.3944891 0.6959981), wk = 0.0027027 k( 298) = ( -0.4298046 0.3749886 0.6959981), wk = 0.0027027 k( 299) = ( -0.4368241 0.3554882 0.6959981), wk = 0.0027027 k( 300) = ( -0.4438437 0.3359877 0.6959981), wk = 0.0027027 k( 301) = ( -0.4508632 0.3164872 0.6959981), wk = 0.0027027 k( 302) = ( -0.4578828 0.2969867 0.6959981), wk = 0.0027027 k( 303) = ( -0.4649023 0.2774862 0.6959981), wk = 0.0027027 k( 304) = ( -0.4719218 0.2579858 0.6959981), wk = 0.0027027 k( 305) = ( -0.4789414 0.2384853 0.6959981), wk = 0.0027027 k( 306) = ( -0.4859609 0.2189848 0.6959981), wk = 0.0027027 k( 307) = ( -0.4929805 0.1994843 0.6959981), wk = 0.0027027 k( 308) = ( -0.5000000 0.1799839 0.6959981), wk = 0.0027027 k( 309) = ( -0.5000000 0.1799839 0.6959981), wk = 0.0027027 k( 310) = ( -0.5000000 0.1799839 0.6755276), wk = 0.0027027 k( 311) = ( -0.5000000 0.1799839 0.6550570), wk = 0.0027027 k( 312) = ( -0.5000000 0.1799839 0.6345865), wk = 0.0027027 k( 313) = ( -0.5000000 0.1799839 0.6141160), wk = 0.0027027 k( 314) = ( -0.5000000 0.1799839 0.5936454), wk = 0.0027027 k( 315) = ( -0.5000000 0.1799839 0.5731749), wk = 0.0027027 k( 316) = ( -0.5000000 0.1799839 0.5527044), wk = 0.0027027 k( 317) = ( -0.5000000 0.1799839 0.5322338), wk = 0.0027027 k( 318) = ( -0.5000000 0.1799839 0.5117633), wk = 0.0027027 k( 319) = ( -0.5000000 0.1799839 0.4912928), wk = 0.0027027 k( 320) = ( -0.5000000 0.1799839 0.4708222), wk = 0.0027027 k( 321) = ( -0.5000000 0.1799839 0.4503517), wk = 0.0027027 k( 322) = ( -0.5000000 0.1799839 0.4298812), wk = 0.0027027 k( 323) = ( -0.5000000 0.1799839 0.4094106), wk = 0.0027027 k( 324) = ( -0.5000000 0.1799839 0.3889401), wk = 0.0027027 k( 325) = ( -0.5000000 0.1799839 0.3684696), wk = 0.0027027 k( 326) = ( -0.5000000 0.1799839 0.3479990), wk = 0.0027027 k( 327) = ( -0.5000000 0.1799839 0.3275285), wk = 0.0027027 k( 328) = ( -0.5000000 0.1799839 0.3070580), wk = 0.0027027 k( 329) = ( -0.5000000 0.1799839 0.2865874), wk = 0.0027027 k( 330) = ( -0.5000000 0.1799839 0.2661169), wk = 0.0027027 k( 331) = ( -0.5000000 0.1799839 0.2456464), wk = 0.0027027 k( 332) = ( -0.5000000 0.1799839 0.2251759), wk = 0.0027027 k( 333) = ( -0.5000000 0.1799839 0.2047053), wk = 0.0027027 k( 334) = ( -0.5000000 0.1799839 0.1842348), wk = 0.0027027 k( 335) = ( -0.5000000 0.1799839 0.1637643), wk = 0.0027027 k( 336) = ( -0.5000000 0.1799839 0.1432937), wk = 0.0027027 k( 337) = ( -0.5000000 0.1799839 0.1228232), wk = 0.0027027 k( 338) = ( -0.5000000 0.1799839 0.1023527), wk = 0.0027027 k( 339) = ( -0.5000000 0.1799839 0.0818821), wk = 0.0027027 k( 340) = ( -0.5000000 0.1799839 0.0614116), wk = 0.0027027 k( 341) = ( -0.5000000 0.1799839 0.0409411), wk = 0.0027027 k( 342) = ( -0.5000000 0.1799839 0.0204705), wk = 0.0027027 k( 343) = ( -0.5000000 0.1799839 0.0000000), wk = 0.0027027 k( 344) = ( 0.0000000 0.0000000 0.6959981), wk = 0.0027027 k( 345) = ( -0.0192308 0.0069225 0.6959981), wk = 0.0027027 k( 346) = ( -0.0384615 0.0138449 0.6959981), wk = 0.0027027 k( 347) = ( -0.0576923 0.0207674 0.6959981), wk = 0.0027027 k( 348) = ( -0.0769231 0.0276898 0.6959981), wk = 0.0027027 k( 349) = ( -0.0961538 0.0346123 0.6959981), wk = 0.0027027 k( 350) = ( -0.1153846 0.0415347 0.6959981), wk = 0.0027027 k( 351) = ( -0.1346154 0.0484572 0.6959981), wk = 0.0027027 k( 352) = ( -0.1538461 0.0553796 0.6959981), wk = 0.0027027 k( 353) = ( -0.1730769 0.0623021 0.6959981), wk = 0.0027027 k( 354) = ( -0.1923077 0.0692246 0.6959981), wk = 0.0027027 k( 355) = ( -0.2115385 0.0761470 0.6959981), wk = 0.0027027 k( 356) = ( -0.2307692 0.0830695 0.6959981), wk = 0.0027027 k( 357) = ( -0.2500000 0.0899919 0.6959981), wk = 0.0027027 k( 358) = ( -0.2692308 0.0969144 0.6959981), wk = 0.0027027 k( 359) = ( -0.2884615 0.1038368 0.6959981), wk = 0.0027027 k( 360) = ( -0.3076923 0.1107593 0.6959981), wk = 0.0027027 k( 361) = ( -0.3269231 0.1176818 0.6959981), wk = 0.0027027 k( 362) = ( -0.3461538 0.1246042 0.6959981), wk = 0.0027027 k( 363) = ( -0.3653846 0.1315267 0.6959981), wk = 0.0027027 k( 364) = ( -0.3846154 0.1384491 0.6959981), wk = 0.0027027 k( 365) = ( -0.4038462 0.1453716 0.6959981), wk = 0.0027027 k( 366) = ( -0.4230769 0.1522940 0.6959981), wk = 0.0027027 k( 367) = ( -0.4423077 0.1592165 0.6959981), wk = 0.0027027 k( 368) = ( -0.4615385 0.1661389 0.6959981), wk = 0.0027027 k( 369) = ( -0.4807692 0.1730614 0.6959981), wk = 0.0027027 k( 370) = ( -0.5000000 0.1799839 0.6959981), wk = 0.0027027 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0070599 0.0070599 0.0000000), wk = 0.0027027 k( 3) = ( 0.0141197 0.0141197 0.0000000), wk = 0.0027027 k( 4) = ( 0.0211796 0.0211796 0.0000000), wk = 0.0027027 k( 5) = ( 0.0282394 0.0282394 0.0000000), wk = 0.0027027 k( 6) = ( 0.0352993 0.0352993 0.0000000), wk = 0.0027027 k( 7) = ( 0.0423591 0.0423591 0.0000000), wk = 0.0027027 k( 8) = ( 0.0494190 0.0494190 -0.0000000), wk = 0.0027027 k( 9) = ( 0.0564788 0.0564788 0.0000000), wk = 0.0027027 k( 10) = ( 0.0635387 0.0635387 0.0000000), wk = 0.0027027 k( 11) = ( 0.0705985 0.0705986 0.0000000), wk = 0.0027027 k( 12) = ( 0.0776584 0.0776584 0.0000000), wk = 0.0027027 k( 13) = ( 0.0847183 0.0847183 0.0000000), wk = 0.0027027 k( 14) = ( 0.0917781 0.0917781 0.0000000), wk = 0.0027027 k( 15) = ( 0.0988380 0.0988380 0.0000000), wk = 0.0027027 k( 16) = ( 0.1058978 0.1058978 0.0000000), wk = 0.0027027 k( 17) = ( 0.1129577 0.1129577 0.0000000), wk = 0.0027027 k( 18) = ( 0.1200175 0.1200175 0.0000000), wk = 0.0027027 k( 19) = ( 0.1270774 0.1270774 -0.0000000), wk = 0.0027027 k( 20) = ( 0.1341372 0.1341372 0.0000000), wk = 0.0027027 k( 21) = ( 0.1411971 0.1411971 0.0000000), wk = 0.0027027 k( 22) = ( 0.1482569 0.1482569 0.0000000), wk = 0.0027027 k( 23) = ( 0.1553168 0.1553168 0.0000000), wk = 0.0027027 k( 24) = ( 0.1623767 0.1623767 0.0000000), wk = 0.0027027 k( 25) = ( 0.1694365 0.1694365 0.0000000), wk = 0.0027027 k( 26) = ( 0.1764964 0.1764964 0.0000000), wk = 0.0027027 k( 27) = ( 0.1835562 0.1835562 0.0000000), wk = 0.0027027 k( 28) = ( 0.1906161 0.1906161 0.0000000), wk = 0.0027027 k( 29) = ( 0.1976759 0.1976759 0.0000000), wk = 0.0027027 k( 30) = ( 0.2047358 0.2047358 0.0000000), wk = 0.0027027 k( 31) = ( 0.2117956 0.2117956 0.0000000), wk = 0.0027027 k( 32) = ( 0.2188555 0.2188555 0.0000000), wk = 0.0027027 k( 33) = ( 0.2259153 0.2259153 0.0000000), wk = 0.0027027 k( 34) = ( 0.2329752 0.2329752 0.0000000), wk = 0.0027027 k( 35) = ( 0.2400351 0.2400351 0.0000000), wk = 0.0027027 k( 36) = ( 0.2470949 0.2470949 0.0000000), wk = 0.0027027 k( 37) = ( 0.2541548 0.2541548 -0.0000000), wk = 0.0027027 k( 38) = ( 0.2612146 0.2612146 0.0000000), wk = 0.0027027 k( 39) = ( 0.2682745 0.2682745 0.0000000), wk = 0.0027027 k( 40) = ( 0.2753343 0.2753343 -0.0000000), wk = 0.0027027 k( 41) = ( 0.2823942 0.2823942 0.0000000), wk = 0.0027027 k( 42) = ( 0.2823942 0.2823942 0.0000000), wk = 0.0027027 k( 43) = ( 0.2622232 0.2979375 0.0000000), wk = 0.0027027 k( 44) = ( 0.2420522 0.3134807 0.0000000), wk = 0.0027027 k( 45) = ( 0.2218811 0.3290240 -0.0000000), wk = 0.0027027 k( 46) = ( 0.2017101 0.3445673 0.0000000), wk = 0.0027027 k( 47) = ( 0.1815391 0.3601105 -0.0000000), wk = 0.0027027 k( 48) = ( 0.1613681 0.3756538 0.0000000), wk = 0.0027027 k( 49) = ( 0.1411971 0.3911971 0.0000000), wk = 0.0027027 k( 50) = ( 0.1210261 0.4067404 0.0000000), wk = 0.0027027 k( 51) = ( 0.1008551 0.4222836 -0.0000000), wk = 0.0027027 k( 52) = ( 0.0806840 0.4378269 0.0000000), wk = 0.0027027 k( 53) = ( 0.0605130 0.4533702 0.0000000), wk = 0.0027027 k( 54) = ( 0.0403420 0.4689135 0.0000000), wk = 0.0027027 k( 55) = ( 0.0201710 0.4844567 0.0000000), wk = 0.0027027 k( 56) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027027 k( 57) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027027 k( 58) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0027027 k( 59) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0027027 k( 60) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0027027 k( 61) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0027027 k( 62) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0027027 k( 63) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0027027 k( 64) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0027027 k( 65) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0027027 k( 66) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0027027 k( 67) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0027027 k( 68) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0027027 k( 69) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0027027 k( 70) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0027027 k( 71) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0027027 k( 72) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0027027 k( 73) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0027027 k( 74) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027027 k( 75) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0027027 k( 76) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0027027 k( 77) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0027027 k( 78) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0027027 k( 79) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0027027 k( 80) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0027027 k( 81) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0027027 k( 82) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0027027 k( 83) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0027027 k( 84) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0027027 k( 85) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0027027 k( 86) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0027027 k( 87) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0027027 k( 88) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0027027 k( 89) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0027027 k( 90) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0027027 k( 91) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 92) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 93) = ( 0.0201710 0.4844567 0.5000000), wk = 0.0027027 k( 94) = ( 0.0403420 0.4689135 0.5000000), wk = 0.0027027 k( 95) = ( 0.0605130 0.4533702 0.5000000), wk = 0.0027027 k( 96) = ( 0.0806840 0.4378269 0.5000000), wk = 0.0027027 k( 97) = ( 0.1008551 0.4222836 0.5000000), wk = 0.0027027 k( 98) = ( 0.1210261 0.4067404 0.5000000), wk = 0.0027027 k( 99) = ( 0.1411971 0.3911971 0.5000000), wk = 0.0027027 k( 100) = ( 0.1613681 0.3756538 0.5000000), wk = 0.0027027 k( 101) = ( 0.1815391 0.3601105 0.5000000), wk = 0.0027027 k( 102) = ( 0.2017101 0.3445673 0.5000000), wk = 0.0027027 k( 103) = ( 0.2218811 0.3290240 0.5000000), wk = 0.0027027 k( 104) = ( 0.2420522 0.3134807 0.5000000), wk = 0.0027027 k( 105) = ( 0.2622232 0.2979375 0.5000000), wk = 0.0027027 k( 106) = ( 0.2823942 0.2823942 0.5000000), wk = 0.0027027 k( 107) = ( 0.2823942 0.2823942 0.5000000), wk = 0.0027027 k( 108) = ( 0.2753343 0.2753343 0.5000000), wk = 0.0027027 k( 109) = ( 0.2682745 0.2682745 0.5000000), wk = 0.0027027 k( 110) = ( 0.2612146 0.2612146 0.5000000), wk = 0.0027027 k( 111) = ( 0.2541548 0.2541548 0.5000000), wk = 0.0027027 k( 112) = ( 0.2470949 0.2470949 0.5000000), wk = 0.0027027 k( 113) = ( 0.2400351 0.2400351 0.5000000), wk = 0.0027027 k( 114) = ( 0.2329752 0.2329752 0.5000000), wk = 0.0027027 k( 115) = ( 0.2259153 0.2259153 0.5000000), wk = 0.0027027 k( 116) = ( 0.2188555 0.2188555 0.5000000), wk = 0.0027027 k( 117) = ( 0.2117956 0.2117956 0.5000000), wk = 0.0027027 k( 118) = ( 0.2047358 0.2047358 0.5000000), wk = 0.0027027 k( 119) = ( 0.1976759 0.1976759 0.5000000), wk = 0.0027027 k( 120) = ( 0.1906161 0.1906161 0.5000000), wk = 0.0027027 k( 121) = ( 0.1835562 0.1835562 0.5000000), wk = 0.0027027 k( 122) = ( 0.1764964 0.1764964 0.5000000), wk = 0.0027027 k( 123) = ( 0.1694365 0.1694365 0.5000000), wk = 0.0027027 k( 124) = ( 0.1623767 0.1623767 0.5000000), wk = 0.0027027 k( 125) = ( 0.1553168 0.1553168 0.5000000), wk = 0.0027027 k( 126) = ( 0.1482569 0.1482569 0.5000000), wk = 0.0027027 k( 127) = ( 0.1411971 0.1411971 0.5000000), wk = 0.0027027 k( 128) = ( 0.1341372 0.1341372 0.5000000), wk = 0.0027027 k( 129) = ( 0.1270774 0.1270774 0.5000000), wk = 0.0027027 k( 130) = ( 0.1200175 0.1200175 0.5000000), wk = 0.0027027 k( 131) = ( 0.1129577 0.1129577 0.5000000), wk = 0.0027027 k( 132) = ( 0.1058978 0.1058978 0.5000000), wk = 0.0027027 k( 133) = ( 0.0988380 0.0988380 0.5000000), wk = 0.0027027 k( 134) = ( 0.0917781 0.0917781 0.5000000), wk = 0.0027027 k( 135) = ( 0.0847183 0.0847183 0.5000000), wk = 0.0027027 k( 136) = ( 0.0776584 0.0776584 0.5000000), wk = 0.0027027 k( 137) = ( 0.0705985 0.0705986 0.5000000), wk = 0.0027027 k( 138) = ( 0.0635387 0.0635387 0.5000000), wk = 0.0027027 k( 139) = ( 0.0564788 0.0564788 0.5000000), wk = 0.0027027 k( 140) = ( 0.0494190 0.0494190 0.5000000), wk = 0.0027027 k( 141) = ( 0.0423591 0.0423591 0.5000000), wk = 0.0027027 k( 142) = ( 0.0352993 0.0352993 0.5000000), wk = 0.0027027 k( 143) = ( 0.0282394 0.0282394 0.5000000), wk = 0.0027027 k( 144) = ( 0.0211796 0.0211796 0.5000000), wk = 0.0027027 k( 145) = ( 0.0141197 0.0141197 0.5000000), wk = 0.0027027 k( 146) = ( 0.0070599 0.0070599 0.5000000), wk = 0.0027027 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 149) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0027027 k( 150) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0027027 k( 151) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0027027 k( 152) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0027027 k( 153) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0027027 k( 154) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0027027 k( 155) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0027027 k( 156) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0027027 k( 157) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0027027 k( 158) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0027027 k( 159) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0027027 k( 160) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0027027 k( 161) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0027027 k( 162) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0027027 k( 163) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0027027 k( 164) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0027027 k( 165) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027027 k( 166) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0027027 k( 169) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0027027 k( 170) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0027027 k( 171) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0027027 k( 172) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0027027 k( 173) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0027027 k( 174) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0027027 k( 175) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0027027 k( 176) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0027027 k( 177) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0027027 k( 178) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0027027 k( 179) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0027027 k( 180) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0027027 k( 181) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0027027 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 184) = ( -0.0192308 0.0192308 0.0000000), wk = 0.0027027 k( 185) = ( -0.0384615 0.0384615 0.0000000), wk = 0.0027027 k( 186) = ( -0.0576923 0.0576923 -0.0000000), wk = 0.0027027 k( 187) = ( -0.0769231 0.0769231 0.0000000), wk = 0.0027027 k( 188) = ( -0.0961538 0.0961538 -0.0000000), wk = 0.0027027 k( 189) = ( -0.1153846 0.1153846 -0.0000000), wk = 0.0027027 k( 190) = ( -0.1346154 0.1346154 -0.0000000), wk = 0.0027027 k( 191) = ( -0.1538461 0.1538461 0.0000000), wk = 0.0027027 k( 192) = ( -0.1730769 0.1730769 -0.0000000), wk = 0.0027027 k( 193) = ( -0.1923077 0.1923077 -0.0000000), wk = 0.0027027 k( 194) = ( -0.2115385 0.2115385 -0.0000000), wk = 0.0027027 k( 195) = ( -0.2307692 0.2307692 -0.0000000), wk = 0.0027027 k( 196) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0027027 k( 197) = ( -0.2692308 0.2692308 0.0000000), wk = 0.0027027 k( 198) = ( -0.2884615 0.2884615 0.0000000), wk = 0.0027027 k( 199) = ( -0.3076923 0.3076923 -0.0000000), wk = 0.0027027 k( 200) = ( -0.3269231 0.3269231 -0.0000000), wk = 0.0027027 k( 201) = ( -0.3461538 0.3461538 0.0000000), wk = 0.0027027 k( 202) = ( -0.3653846 0.3653846 0.0000000), wk = 0.0027027 k( 203) = ( -0.3846154 0.3846154 -0.0000000), wk = 0.0027027 k( 204) = ( -0.4038462 0.4038462 0.0000000), wk = 0.0027027 k( 205) = ( -0.4230769 0.4230769 -0.0000000), wk = 0.0027027 k( 206) = ( -0.4423077 0.4423077 -0.0000000), wk = 0.0027027 k( 207) = ( -0.4615385 0.4615385 -0.0000000), wk = 0.0027027 k( 208) = ( -0.4807692 0.4807692 0.0000000), wk = 0.0027027 k( 209) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 210) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 211) = ( -0.4929805 0.5070195 -0.0000000), wk = 0.0027027 k( 212) = ( -0.4859609 0.5140391 0.0000000), wk = 0.0027027 k( 213) = ( -0.4789414 0.5210586 0.0000000), wk = 0.0027027 k( 214) = ( -0.4719218 0.5280782 -0.0000000), wk = 0.0027027 k( 215) = ( -0.4649023 0.5350977 -0.0000000), wk = 0.0027027 k( 216) = ( -0.4578828 0.5421172 0.0000000), wk = 0.0027027 k( 217) = ( -0.4508632 0.5491368 0.0000000), wk = 0.0027027 k( 218) = ( -0.4438437 0.5561563 -0.0000000), wk = 0.0027027 k( 219) = ( -0.4368241 0.5631759 -0.0000000), wk = 0.0027027 k( 220) = ( -0.4298046 0.5701954 0.0000000), wk = 0.0027027 k( 221) = ( -0.4227850 0.5772150 0.0000000), wk = 0.0027027 k( 222) = ( -0.4157655 0.5842345 -0.0000000), wk = 0.0027027 k( 223) = ( -0.4087460 0.5912540 0.0000000), wk = 0.0027027 k( 224) = ( -0.4017264 0.5982736 0.0000000), wk = 0.0027027 k( 225) = ( -0.3947069 0.6052931 0.0000000), wk = 0.0027027 k( 226) = ( -0.3876873 0.6123127 0.0000000), wk = 0.0027027 k( 227) = ( -0.3806678 0.6193322 0.0000000), wk = 0.0027027 k( 228) = ( -0.3736482 0.6263518 0.0000000), wk = 0.0027027 k( 229) = ( -0.3666287 0.6333713 0.0000000), wk = 0.0027027 k( 230) = ( -0.3596091 0.6403908 -0.0000000), wk = 0.0027027 k( 231) = ( -0.3525896 0.6474104 -0.0000000), wk = 0.0027027 k( 232) = ( -0.3455701 0.6544299 0.0000000), wk = 0.0027027 k( 233) = ( -0.3385505 0.6614495 0.0000000), wk = 0.0027027 k( 234) = ( -0.3315310 0.6684690 0.0000000), wk = 0.0027027 k( 235) = ( -0.3245114 0.6754886 0.0000000), wk = 0.0027027 k( 236) = ( -0.3174919 0.6825081 -0.0000000), wk = 0.0027027 k( 237) = ( -0.3104724 0.6895276 -0.0000000), wk = 0.0027027 k( 238) = ( -0.3034528 0.6965472 0.0000000), wk = 0.0027027 k( 239) = ( -0.2964333 0.7035667 0.0000000), wk = 0.0027027 k( 240) = ( -0.2894137 0.7105863 0.0000000), wk = 0.0027027 k( 241) = ( -0.2823942 0.7176058 0.0000000), wk = 0.0027027 k( 242) = ( -0.2823942 0.7176058 0.0000000), wk = 0.0027027 k( 243) = ( -0.2823942 0.7176058 0.0147059), wk = 0.0027027 k( 244) = ( -0.2823942 0.7176058 0.0294118), wk = 0.0027027 k( 245) = ( -0.2823942 0.7176058 0.0441177), wk = 0.0027027 k( 246) = ( -0.2823942 0.7176058 0.0588235), wk = 0.0027027 k( 247) = ( -0.2823942 0.7176058 0.0735294), wk = 0.0027027 k( 248) = ( -0.2823942 0.7176058 0.0882353), wk = 0.0027027 k( 249) = ( -0.2823942 0.7176058 0.1029412), wk = 0.0027027 k( 250) = ( -0.2823942 0.7176058 0.1176471), wk = 0.0027027 k( 251) = ( -0.2823942 0.7176058 0.1323529), wk = 0.0027027 k( 252) = ( -0.2823942 0.7176058 0.1470588), wk = 0.0027027 k( 253) = ( -0.2823942 0.7176058 0.1617647), wk = 0.0027027 k( 254) = ( -0.2823942 0.7176058 0.1764706), wk = 0.0027027 k( 255) = ( -0.2823942 0.7176058 0.1911765), wk = 0.0027027 k( 256) = ( -0.2823942 0.7176058 0.2058823), wk = 0.0027027 k( 257) = ( -0.2823942 0.7176058 0.2205882), wk = 0.0027027 k( 258) = ( -0.2823942 0.7176058 0.2352941), wk = 0.0027027 k( 259) = ( -0.2823942 0.7176058 0.2500000), wk = 0.0027027 k( 260) = ( -0.2823942 0.7176058 0.2647059), wk = 0.0027027 k( 261) = ( -0.2823942 0.7176058 0.2794118), wk = 0.0027027 k( 262) = ( -0.2823942 0.7176058 0.2941177), wk = 0.0027027 k( 263) = ( -0.2823942 0.7176058 0.3088235), wk = 0.0027027 k( 264) = ( -0.2823942 0.7176058 0.3235294), wk = 0.0027027 k( 265) = ( -0.2823942 0.7176058 0.3382353), wk = 0.0027027 k( 266) = ( -0.2823942 0.7176058 0.3529412), wk = 0.0027027 k( 267) = ( -0.2823942 0.7176058 0.3676471), wk = 0.0027027 k( 268) = ( -0.2823942 0.7176058 0.3823529), wk = 0.0027027 k( 269) = ( -0.2823942 0.7176058 0.3970588), wk = 0.0027027 k( 270) = ( -0.2823942 0.7176058 0.4117647), wk = 0.0027027 k( 271) = ( -0.2823942 0.7176058 0.4264706), wk = 0.0027027 k( 272) = ( -0.2823942 0.7176058 0.4411765), wk = 0.0027027 k( 273) = ( -0.2823942 0.7176058 0.4558823), wk = 0.0027027 k( 274) = ( -0.2823942 0.7176058 0.4705882), wk = 0.0027027 k( 275) = ( -0.2823942 0.7176058 0.4852941), wk = 0.0027027 k( 276) = ( -0.2823942 0.7176058 0.5000000), wk = 0.0027027 k( 277) = ( -0.2823942 0.7176058 0.5000000), wk = 0.0027027 k( 278) = ( -0.2894137 0.7105863 0.5000000), wk = 0.0027027 k( 279) = ( -0.2964333 0.7035667 0.5000000), wk = 0.0027027 k( 280) = ( -0.3034528 0.6965472 0.5000000), wk = 0.0027027 k( 281) = ( -0.3104724 0.6895276 0.5000000), wk = 0.0027027 k( 282) = ( -0.3174919 0.6825081 0.5000000), wk = 0.0027027 k( 283) = ( -0.3245114 0.6754886 0.5000000), wk = 0.0027027 k( 284) = ( -0.3315310 0.6684690 0.5000000), wk = 0.0027027 k( 285) = ( -0.3385505 0.6614495 0.5000000), wk = 0.0027027 k( 286) = ( -0.3455701 0.6544299 0.5000000), wk = 0.0027027 k( 287) = ( -0.3525896 0.6474104 0.5000000), wk = 0.0027027 k( 288) = ( -0.3596091 0.6403908 0.5000000), wk = 0.0027027 k( 289) = ( -0.3666287 0.6333713 0.5000000), wk = 0.0027027 k( 290) = ( -0.3736482 0.6263518 0.5000000), wk = 0.0027027 k( 291) = ( -0.3806678 0.6193322 0.5000000), wk = 0.0027027 k( 292) = ( -0.3876873 0.6123127 0.5000000), wk = 0.0027027 k( 293) = ( -0.3947069 0.6052931 0.5000000), wk = 0.0027027 k( 294) = ( -0.4017264 0.5982736 0.5000000), wk = 0.0027027 k( 295) = ( -0.4087460 0.5912540 0.5000000), wk = 0.0027027 k( 296) = ( -0.4157655 0.5842345 0.5000000), wk = 0.0027027 k( 297) = ( -0.4227850 0.5772150 0.5000000), wk = 0.0027027 k( 298) = ( -0.4298046 0.5701954 0.5000000), wk = 0.0027027 k( 299) = ( -0.4368241 0.5631759 0.5000000), wk = 0.0027027 k( 300) = ( -0.4438437 0.5561563 0.5000000), wk = 0.0027027 k( 301) = ( -0.4508632 0.5491368 0.5000000), wk = 0.0027027 k( 302) = ( -0.4578828 0.5421172 0.5000000), wk = 0.0027027 k( 303) = ( -0.4649023 0.5350977 0.5000000), wk = 0.0027027 k( 304) = ( -0.4719218 0.5280782 0.5000000), wk = 0.0027027 k( 305) = ( -0.4789414 0.5210586 0.5000000), wk = 0.0027027 k( 306) = ( -0.4859609 0.5140391 0.5000000), wk = 0.0027027 k( 307) = ( -0.4929805 0.5070195 0.5000000), wk = 0.0027027 k( 308) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 309) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 310) = ( -0.5000000 0.5000000 0.4852941), wk = 0.0027027 k( 311) = ( -0.5000000 0.5000000 0.4705882), wk = 0.0027027 k( 312) = ( -0.5000000 0.5000000 0.4558823), wk = 0.0027027 k( 313) = ( -0.5000000 0.5000000 0.4411765), wk = 0.0027027 k( 314) = ( -0.5000000 0.5000000 0.4264706), wk = 0.0027027 k( 315) = ( -0.5000000 0.5000000 0.4117647), wk = 0.0027027 k( 316) = ( -0.5000000 0.5000000 0.3970588), wk = 0.0027027 k( 317) = ( -0.5000000 0.5000000 0.3823529), wk = 0.0027027 k( 318) = ( -0.5000000 0.5000000 0.3676471), wk = 0.0027027 k( 319) = ( -0.5000000 0.5000000 0.3529412), wk = 0.0027027 k( 320) = ( -0.5000000 0.5000000 0.3382353), wk = 0.0027027 k( 321) = ( -0.5000000 0.5000000 0.3235294), wk = 0.0027027 k( 322) = ( -0.5000000 0.5000000 0.3088235), wk = 0.0027027 k( 323) = ( -0.5000000 0.5000000 0.2941177), wk = 0.0027027 k( 324) = ( -0.5000000 0.5000000 0.2794118), wk = 0.0027027 k( 325) = ( -0.5000000 0.5000000 0.2647059), wk = 0.0027027 k( 326) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0027027 k( 327) = ( -0.5000000 0.5000000 0.2352941), wk = 0.0027027 k( 328) = ( -0.5000000 0.5000000 0.2205882), wk = 0.0027027 k( 329) = ( -0.5000000 0.5000000 0.2058823), wk = 0.0027027 k( 330) = ( -0.5000000 0.5000000 0.1911765), wk = 0.0027027 k( 331) = ( -0.5000000 0.5000000 0.1764706), wk = 0.0027027 k( 332) = ( -0.5000000 0.5000000 0.1617647), wk = 0.0027027 k( 333) = ( -0.5000000 0.5000000 0.1470588), wk = 0.0027027 k( 334) = ( -0.5000000 0.5000000 0.1323529), wk = 0.0027027 k( 335) = ( -0.5000000 0.5000000 0.1176471), wk = 0.0027027 k( 336) = ( -0.5000000 0.5000000 0.1029412), wk = 0.0027027 k( 337) = ( -0.5000000 0.5000000 0.0882353), wk = 0.0027027 k( 338) = ( -0.5000000 0.5000000 0.0735294), wk = 0.0027027 k( 339) = ( -0.5000000 0.5000000 0.0588235), wk = 0.0027027 k( 340) = ( -0.5000000 0.5000000 0.0441177), wk = 0.0027027 k( 341) = ( -0.5000000 0.5000000 0.0294118), wk = 0.0027027 k( 342) = ( -0.5000000 0.5000000 0.0147059), wk = 0.0027027 k( 343) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 344) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 345) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0027027 k( 346) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0027027 k( 347) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0027027 k( 348) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0027027 k( 349) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0027027 k( 350) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0027027 k( 351) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0027027 k( 352) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0027027 k( 353) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0027027 k( 354) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0027027 k( 355) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0027027 k( 356) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0027027 k( 357) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0027027 k( 358) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0027027 k( 359) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0027027 k( 360) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0027027 k( 361) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0027027 k( 362) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0027027 k( 363) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0027027 k( 364) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0027027 k( 365) = ( -0.4038462 0.4038462 0.5000000), wk = 0.0027027 k( 366) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0027027 k( 367) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0027027 k( 368) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0027027 k( 369) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0027027 k( 370) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027027 Dense grid: 56723 G-vectors FFT dimensions: ( 64, 64, 45) Smooth grid: 42079 G-vectors FFT dimensions: ( 60, 60, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 236, 48) NL pseudopotentials 0.17 Mb ( 118, 96) Each V/rho on FFT grid 0.06 Mb ( 4096) Each G-vector array 0.01 Mb ( 1181) G-vector shells 0.00 Mb ( 610) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 236, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.14 Mb ( 96, 2, 48) The potential is recalculated from file : ./InBr.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.3 secs Computing kpt #: 2 total cpu time spent up to now is 44.2 secs Computing kpt #: 3 total cpu time spent up to now is 46.0 secs Computing kpt #: 4 total cpu time spent up to now is 47.6 secs Computing kpt #: 5 total cpu time spent up to now is 49.2 secs Computing kpt #: 6 total cpu time spent up to now is 50.7 secs Computing kpt #: 7 total cpu time spent up to now is 52.3 secs Computing kpt #: 8 total cpu time spent up to now is 53.9 secs Computing kpt #: 9 total cpu time spent up to now is 55.4 secs Computing kpt #: 10 total cpu time spent up to now is 56.9 secs Computing kpt #: 11 total cpu time spent up to now is 58.4 secs Computing kpt #: 12 total cpu time spent up to now is 59.9 secs Computing kpt #: 13 total cpu time spent up to now is 61.5 secs Computing kpt #: 14 total cpu time spent up to now is 63.0 secs Computing kpt #: 15 total cpu time spent up to now is 64.4 secs Computing kpt #: 16 total cpu time spent up to now is 65.9 secs Computing kpt #: 17 total cpu time spent up to now is 67.4 secs Computing kpt #: 18 total cpu time spent up to now is 68.8 secs Computing kpt #: 19 total cpu time spent up to now is 70.3 secs Computing kpt #: 20 total cpu time spent up to now is 71.7 secs Computing kpt #: 21 total cpu time spent up to now is 73.3 secs Computing kpt #: 22 total cpu time spent up to now is 74.7 secs Computing kpt #: 23 total cpu time spent up to now is 76.2 secs Computing kpt #: 24 total cpu time spent up to now is 78.0 secs Computing kpt #: 25 total cpu time spent up to now is 80.1 secs Computing kpt #: 26 total cpu time spent up to now is 81.5 secs Computing kpt #: 27 total cpu time spent up to now is 82.9 secs Computing kpt #: 28 total cpu time spent up to now is 84.3 secs Computing kpt #: 29 total cpu time spent up to now is 85.8 secs Computing kpt #: 30 total cpu time spent up to now is 87.2 secs Computing kpt #: 31 total cpu time spent up to now is 88.6 secs Computing kpt #: 32 total cpu time spent up to now is 90.0 secs Computing kpt #: 33 total cpu time spent up to now is 91.4 secs Computing kpt #: 34 total cpu time spent up to now is 92.9 secs Computing kpt #: 35 total cpu time spent up to now is 94.4 secs Computing kpt #: 36 total cpu time spent up to now is 95.9 secs Computing kpt #: 37 total cpu time spent up to now is 97.5 secs Computing kpt #: 38 total cpu time spent up to now is 98.9 secs Computing kpt #: 39 total cpu time spent up to now is 100.2 secs Computing kpt #: 40 total cpu time spent up to now is 101.3 secs Computing kpt #: 41 total cpu time spent up to now is 102.6 secs Computing kpt #: 42 total cpu time spent up to now is 104.2 secs Computing kpt #: 43 total cpu time spent up to now is 105.4 secs Computing kpt #: 44 total cpu time spent up to now is 106.5 secs Computing kpt #: 45 total cpu time spent up to now is 107.8 secs Computing kpt #: 46 total cpu time spent up to now is 109.3 secs Computing kpt #: 47 total cpu time spent up to now is 110.7 secs Computing kpt #: 48 total cpu time spent up to now is 112.1 secs Computing kpt #: 49 total cpu time spent up to now is 113.5 secs Computing kpt #: 50 total cpu time spent up to now is 114.9 secs Computing kpt #: 51 total cpu time spent up to now is 116.3 secs Computing kpt #: 52 total cpu time spent up to now is 117.6 secs Computing kpt #: 53 total cpu time spent up to now is 119.6 secs Computing kpt #: 54 total cpu time spent up to now is 121.3 secs Computing kpt #: 55 total cpu time spent up to now is 122.6 secs Computing kpt #: 56 total cpu time spent up to now is 124.6 secs Computing kpt #: 57 total cpu time spent up to now is 125.8 secs Computing kpt #: 58 total cpu time spent up to now is 127.1 secs Computing kpt #: 59 total cpu time spent up to now is 128.5 secs Computing kpt #: 60 total cpu time spent up to now is 129.8 secs Computing kpt #: 61 total cpu time spent up to now is 131.2 secs Computing kpt #: 62 total cpu time spent up to now is 132.5 secs Computing kpt #: 63 total cpu time spent up to now is 133.9 secs Computing kpt #: 64 total cpu time spent up to now is 135.1 secs Computing kpt #: 65 total cpu time spent up to now is 136.3 secs Computing kpt #: 66 total cpu time spent up to now is 137.7 secs Computing kpt #: 67 total cpu time spent up to now is 139.1 secs Computing kpt #: 68 total cpu time spent up to now is 140.2 secs Computing kpt #: 69 total cpu time spent up to now is 141.4 secs Computing kpt #: 70 total cpu time spent up to now is 142.5 secs Computing kpt #: 71 total cpu time spent up to now is 144.5 secs Computing kpt #: 72 total cpu time spent up to now is 146.2 secs Computing kpt #: 73 total cpu time spent up to now is 147.4 secs Computing kpt #: 74 total cpu time spent up to now is 148.6 secs Computing kpt #: 75 total cpu time spent up to now is 149.9 secs Computing kpt #: 76 total cpu time spent up to now is 151.1 secs Computing kpt #: 77 total cpu time spent up to now is 152.3 secs Computing kpt #: 78 total cpu time spent up to now is 153.5 secs Computing kpt #: 79 total cpu time spent up to now is 154.6 secs Computing kpt #: 80 total cpu time spent up to now is 156.0 secs Computing kpt #: 81 total cpu time spent up to now is 157.4 secs Computing kpt #: 82 total cpu time spent up to now is 158.6 secs Computing kpt #: 83 total cpu time spent up to now is 159.8 secs Computing kpt #: 84 total cpu time spent up to now is 161.0 secs Computing kpt #: 85 total cpu time spent up to now is 162.3 secs Computing kpt #: 86 total cpu time spent up to now is 163.5 secs Computing kpt #: 87 total cpu time spent up to now is 164.7 secs Computing kpt #: 88 total cpu time spent up to now is 165.8 secs Computing kpt #: 89 total cpu time spent up to now is 167.0 secs Computing kpt #: 90 total cpu time spent up to now is 168.3 secs Computing kpt #: 91 total cpu time spent up to now is 169.4 secs Computing kpt #: 92 total cpu time spent up to now is 170.6 secs Computing kpt #: 93 total cpu time spent up to now is 172.1 secs Computing kpt #: 94 total cpu time spent up to now is 173.4 secs Computing kpt #: 95 total cpu time spent up to now is 174.6 secs Computing kpt #: 96 total cpu time spent up to now is 175.9 secs Computing kpt #: 97 total cpu time spent up to now is 177.2 secs Computing kpt #: 98 total cpu time spent up to now is 178.6 secs Computing kpt #: 99 total cpu time spent up to now is 179.8 secs Computing kpt #: 100 total cpu time spent up to now is 181.1 secs Computing kpt #: 101 total cpu time spent up to now is 182.4 secs Computing kpt #: 102 total cpu time spent up to now is 183.5 secs Computing kpt #: 103 total cpu time spent up to now is 184.8 secs Computing kpt #: 104 total cpu time spent up to now is 186.0 secs Computing kpt #: 105 total cpu time spent up to now is 187.2 secs Computing kpt #: 106 total cpu time spent up to now is 188.4 secs Computing kpt #: 107 total cpu time spent up to now is 189.7 secs Computing kpt #: 108 total cpu time spent up to now is 190.9 secs Computing kpt #: 109 total cpu time spent up to now is 192.3 secs Computing kpt #: 110 total cpu time spent up to now is 193.6 secs Computing kpt #: 111 total cpu time spent up to now is 194.8 secs Computing kpt #: 112 total cpu time spent up to now is 195.9 secs Computing kpt #: 113 total cpu time spent up to now is 197.2 secs Computing kpt #: 114 total cpu time spent up to now is 198.9 secs Computing kpt #: 115 total cpu time spent up to now is 200.4 secs Computing kpt #: 116 total cpu time spent up to now is 201.6 secs Computing kpt #: 117 total cpu time spent up to now is 202.8 secs Computing kpt #: 118 total cpu time spent up to now is 204.2 secs Computing kpt #: 119 total cpu time spent up to now is 206.2 secs Computing kpt #: 120 total cpu time spent up to now is 207.6 secs Computing kpt #: 121 total cpu time spent up to now is 208.9 secs Computing kpt #: 122 total cpu time spent up to now is 210.1 secs Computing kpt #: 123 total cpu time spent up to now is 211.7 secs Computing kpt #: 124 total cpu time spent up to now is 213.0 secs Computing kpt #: 125 total cpu time spent up to now is 214.5 secs Computing kpt #: 126 total cpu time spent up to now is 215.7 secs Computing kpt #: 127 total cpu time spent up to now is 216.9 secs Computing kpt #: 128 total cpu time spent up to now is 218.2 secs Computing kpt #: 129 total cpu time spent up 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Computing kpt #: 160 total cpu time spent up to now is 259.7 secs Computing kpt #: 161 total cpu time spent up to now is 261.2 secs Computing kpt #: 162 total cpu time spent up to now is 262.6 secs Computing kpt #: 163 total cpu time spent up to now is 264.0 secs Computing kpt #: 164 total cpu time spent up to now is 265.4 secs Computing kpt #: 165 total cpu time spent up to now is 266.9 secs Computing kpt #: 166 total cpu time spent up to now is 268.2 secs Computing kpt #: 167 total cpu time spent up to now is 269.6 secs Computing kpt #: 168 total cpu time spent up to now is 271.3 secs Computing kpt #: 169 total cpu time spent up to now is 272.7 secs Computing kpt #: 170 total cpu time spent up to now is 274.1 secs Computing kpt #: 171 total cpu time spent up to now is 275.4 secs Computing kpt #: 172 total cpu time spent up to now is 276.8 secs Computing kpt #: 173 total cpu time spent up to now is 278.2 secs Computing kpt #: 174 total cpu time spent up to now is 279.6 secs Computing kpt #: 175 total cpu time spent up to now is 281.0 secs Computing kpt #: 176 total cpu time spent up to now is 282.9 secs Computing kpt #: 177 total cpu time spent up to now is 284.6 secs Computing kpt #: 178 total cpu time spent up to now is 286.3 secs Computing kpt #: 179 total cpu time spent up to now is 287.9 secs Computing kpt #: 180 total cpu time spent up to now is 289.3 secs Computing kpt #: 181 total cpu time spent up to now is 290.8 secs Computing kpt #: 182 total cpu time spent up to now is 292.3 secs Computing kpt #: 183 total cpu time spent up to now is 293.8 secs Computing kpt #: 184 total cpu time spent up to now is 295.3 secs Computing kpt #: 185 total cpu time spent up to now is 296.8 secs Computing kpt #: 186 total cpu time spent up to now is 298.3 secs Computing kpt #: 187 total cpu time spent up to now is 299.7 secs Computing kpt #: 188 total cpu time spent up to now is 301.2 secs Computing kpt #: 189 total cpu time spent up to now is 302.8 secs Computing kpt #: 190 total cpu time spent up to now is 304.5 secs Computing kpt #: 191 total cpu time spent up to now is 306.0 secs Computing kpt #: 192 total cpu time spent up to now is 307.9 secs Computing kpt #: 193 total cpu time spent up to now is 309.4 secs Computing kpt #: 194 total cpu time spent up to now is 310.8 secs Computing kpt #: 195 total cpu time spent up to now is 312.3 secs Computing kpt #: 196 total cpu time spent up to now is 313.9 secs Computing kpt #: 197 total cpu time spent up to now is 315.3 secs Computing kpt #: 198 total cpu time spent up to now is 316.8 secs Computing kpt #: 199 total cpu time spent up to now is 318.3 secs Computing kpt #: 200 total cpu time spent up to now is 319.7 secs Computing kpt #: 201 total cpu time spent up to now is 321.2 secs Computing kpt #: 202 total cpu time spent up to now is 322.7 secs Computing kpt #: 203 total cpu time spent up to now is 324.1 secs Computing kpt #: 204 total cpu time spent up to now is 326.2 secs Computing kpt #: 205 total cpu time spent up to now is 327.9 secs Computing kpt #: 206 total cpu time spent up to now is 329.5 secs Computing kpt #: 207 total cpu time spent up to now is 331.2 secs Computing kpt #: 208 total cpu time spent up to now is 332.9 secs Computing kpt #: 209 total cpu time spent up to now is 334.8 secs Computing kpt #: 210 total cpu time spent up to now is 336.4 secs Computing kpt #: 211 total cpu time spent up to now is 338.1 secs Computing kpt #: 212 total cpu time spent up to now is 339.6 secs Computing kpt #: 213 total cpu time spent up to now is 341.2 secs Computing kpt #: 214 total cpu time spent up to now is 342.8 secs Computing kpt #: 215 total cpu time spent up to now is 344.3 secs Computing kpt #: 216 total cpu time spent up to now is 346.0 secs Computing kpt #: 217 total cpu time spent up to now is 347.4 secs Computing kpt #: 218 total cpu time spent up to now is 348.9 secs Computing kpt #: 219 total cpu time spent up to now is 350.4 secs Computing kpt #: 220 total cpu time spent up to now is 351.8 secs Computing kpt #: 221 total cpu time spent up to now is 353.1 secs Computing kpt #: 222 total cpu time spent up to now is 354.6 secs Computing kpt #: 223 total cpu time spent up to now is 356.1 secs Computing kpt #: 224 total cpu time spent up to now is 357.6 secs Computing kpt #: 225 total cpu time spent up to now is 358.8 secs Computing kpt #: 226 total cpu time spent up to now is 360.0 secs Computing kpt #: 227 total cpu time spent up to now is 361.3 secs Computing kpt #: 228 total cpu time spent up to now is 362.5 secs Computing kpt #: 229 total cpu time spent up to now is 363.7 secs Computing kpt #: 230 total cpu time spent up to now is 364.8 secs Computing kpt #: 231 total cpu time spent up to now is 365.9 secs Computing kpt #: 232 total cpu time spent up to now is 367.4 secs Computing kpt #: 233 total cpu time spent up to now is 368.8 secs Computing kpt #: 234 total cpu time spent up to now is 370.0 secs Computing kpt #: 235 total cpu time spent up to now is 371.1 secs Computing kpt #: 236 total cpu time spent up to now is 372.6 secs Computing kpt #: 237 total cpu time spent up to now is 373.7 secs Computing kpt #: 238 total cpu time spent up to now is 375.7 secs Computing kpt #: 239 total cpu time spent up to now is 376.8 secs Computing kpt #: 240 total cpu time spent up to now is 378.1 secs Computing kpt #: 241 total cpu time spent up to now is 379.2 secs Computing kpt #: 242 total cpu time spent up to now is 380.5 secs Computing kpt #: 243 total cpu time spent up to now is 381.8 secs Computing kpt #: 244 total cpu time spent up to now is 383.2 secs Computing kpt #: 245 total cpu time spent up to now is 384.3 secs Computing kpt #: 246 total cpu time spent up to now is 385.5 secs Computing kpt #: 247 total cpu time spent up to now is 386.6 secs Computing kpt #: 248 total cpu time spent up to now is 387.8 secs Computing kpt #: 249 total cpu time spent up to now is 389.6 secs Computing kpt #: 250 total cpu time spent up to now is 390.8 secs Computing kpt #: 251 total cpu time spent up to now is 392.0 secs Computing kpt #: 252 total cpu time spent up to now is 393.1 secs Computing kpt #: 253 total cpu time spent up to now is 394.2 secs Computing kpt #: 254 total cpu time spent up to now is 395.4 secs Computing kpt #: 255 total cpu time spent up to now is 396.9 secs Computing kpt #: 256 total cpu time spent up to now is 398.3 secs Computing kpt #: 257 total cpu time spent up to now is 399.4 secs Computing kpt #: 258 total cpu time spent up to now is 400.6 secs Computing kpt #: 259 total cpu time spent up to now is 401.7 secs Computing kpt #: 260 total cpu time spent up to now is 403.0 secs Computing kpt #: 261 total cpu time spent up to now is 404.2 secs Computing kpt #: 262 total cpu time spent up to now is 405.5 secs Computing kpt #: 263 total cpu time spent up to now is 406.9 secs Computing kpt #: 264 total cpu time spent up to now is 408.3 secs Computing kpt #: 265 total cpu time spent up to now is 409.5 secs Computing kpt #: 266 total cpu time spent up to now is 410.7 secs Computing kpt #: 267 total cpu time spent up to now is 412.0 secs Computing kpt #: 268 total cpu time spent up to now is 413.2 secs Computing kpt #: 269 total cpu time spent up to now is 414.5 secs Computing kpt #: 270 total cpu time spent up to now is 415.7 secs Computing kpt #: 271 total cpu time spent up to now is 416.9 secs Computing kpt #: 272 total cpu time spent up to now is 418.1 secs Computing kpt #: 273 total cpu time spent up to now is 419.2 secs Computing kpt #: 274 total cpu time spent up to now is 420.8 secs Computing kpt #: 275 total cpu time spent up to now is 422.5 secs Computing kpt #: 276 total cpu time spent up to now is 423.7 secs Computing kpt #: 277 total cpu time spent up to now is 424.9 secs Computing kpt #: 278 total cpu time spent up to now is 426.0 secs Computing kpt #: 279 total cpu time spent up to now is 427.2 secs Computing kpt #: 280 total cpu time spent up to now is 428.6 secs Computing kpt #: 281 total cpu time spent up to now is 429.8 secs Computing kpt #: 282 total cpu time spent up to now is 430.9 secs Computing kpt #: 283 total cpu time spent up to now is 432.2 secs Computing kpt #: 284 total cpu time spent up to now is 433.4 secs Computing kpt #: 285 total cpu time spent up to now is 434.7 secs Computing kpt #: 286 total cpu time spent up to now is 435.9 secs Computing kpt #: 287 total cpu time spent up to now is 437.1 secs Computing kpt #: 288 total cpu time spent up to now is 438.3 secs Computing kpt #: 289 total cpu time spent up to now is 439.7 secs Computing kpt #: 290 total cpu time spent up to now is 440.9 secs Computing kpt #: 291 total cpu time spent up to now is 442.0 secs Computing kpt #: 292 total cpu time spent up to now is 443.2 secs Computing kpt #: 293 total cpu time spent up to now is 444.7 secs Computing kpt #: 294 total cpu time spent up to now is 446.0 secs Computing kpt #: 295 total cpu time spent up to now is 447.4 secs Computing kpt #: 296 total cpu time spent up to now is 448.7 secs Computing kpt #: 297 total cpu time spent up to now is 450.0 secs Computing kpt #: 298 total cpu time spent up to now is 451.4 secs Computing kpt #: 299 total cpu time spent up to now is 452.7 secs Computing kpt #: 300 total cpu time spent up to now is 454.1 secs Computing kpt #: 301 total cpu time spent up to now is 455.4 secs Computing kpt #: 302 total cpu time spent up to now is 456.8 secs Computing kpt #: 303 total cpu time spent up to now is 458.3 secs Computing kpt #: 304 total cpu time spent up to now is 459.8 secs Computing kpt #: 305 total cpu time spent up to now is 461.1 secs Computing kpt #: 306 total cpu time spent up to now is 462.5 secs Computing kpt #: 307 total cpu time spent up to now is 464.1 secs Computing kpt #: 308 total cpu time spent up to now is 465.4 secs Computing kpt #: 309 total cpu time spent up to now is 466.8 secs Computing kpt #: 310 total cpu time spent up to now is 468.2 secs Computing kpt #: 311 total cpu time spent up to now is 469.9 secs Computing kpt #: 312 total cpu time spent up to now is 471.7 secs Computing kpt #: 313 total cpu time spent up to now is 473.1 secs Computing kpt #: 314 total cpu time spent up to now is 474.6 secs Computing kpt #: 315 total cpu time spent up to now is 476.0 secs Computing kpt #: 316 total cpu time spent up to now is 477.7 secs Computing kpt #: 317 total cpu time spent up to now is 479.1 secs Computing kpt #: 318 total cpu time spent up to now is 480.5 secs Computing kpt #: 319 total cpu time spent up to now is 482.0 secs Computing kpt #: 320 total cpu time spent up to now is 483.4 secs Computing kpt #: 321 total cpu time spent up to now is 485.0 secs Computing kpt #: 322 total cpu time spent up to now is 486.5 secs Computing kpt #: 323 total cpu time spent up to now is 488.0 secs Computing kpt #: 324 total cpu time spent up to now is 489.7 secs Computing kpt #: 325 total cpu time spent up to now is 491.2 secs Computing kpt #: 326 total cpu time spent up to now is 492.6 secs Computing kpt #: 327 total cpu time spent up to now is 494.7 secs Computing kpt #: 328 total cpu time spent up to now is 496.6 secs Computing kpt #: 329 total cpu time spent up to now is 498.2 secs Computing kpt #: 330 total cpu time spent up to now is 499.6 secs Computing kpt #: 331 total cpu time spent up to now is 501.1 secs Computing kpt #: 332 total cpu time spent up to now is 502.7 secs Computing kpt #: 333 total cpu time spent up to now is 504.3 secs Computing kpt #: 334 total cpu time spent up to now is 505.8 secs Computing kpt #: 335 total cpu time spent up to now is 507.4 secs Computing kpt #: 336 total cpu time spent up to now is 509.5 secs Computing kpt #: 337 total cpu time spent up to now is 511.2 secs Computing kpt #: 338 total cpu time spent up to now is 512.8 secs Computing kpt #: 339 total cpu time spent up to now is 514.6 secs Computing kpt #: 340 total cpu time spent up to now is 516.2 secs Computing kpt #: 341 total cpu time spent up to now is 517.8 secs Computing kpt #: 342 total cpu time spent up to now is 519.6 secs Computing kpt #: 343 total cpu time spent up to now is 521.2 secs Computing kpt #: 344 total cpu time spent up to now is 522.4 secs Computing kpt #: 345 total cpu time spent up to now is 523.6 secs Computing kpt #: 346 total cpu time spent up to now is 524.8 secs Computing kpt #: 347 total cpu time spent up to now is 526.0 secs Computing kpt #: 348 total cpu time spent up to now is 527.2 secs Computing kpt #: 349 total cpu time spent up to now is 528.4 secs Computing kpt #: 350 total cpu time spent up to now is 529.6 secs Computing kpt #: 351 total cpu time spent up to now is 530.9 secs Computing kpt #: 352 total cpu time spent up to now is 532.1 secs Computing kpt #: 353 total cpu time spent up to now is 533.3 secs Computing kpt #: 354 total cpu time spent up to now is 535.0 secs Computing kpt #: 355 total cpu time spent up to now is 536.3 secs Computing kpt #: 356 total cpu time spent up to now is 537.5 secs Computing kpt #: 357 total cpu time spent up to now is 538.7 secs Computing kpt #: 358 total cpu time spent up to now is 539.9 secs Computing kpt #: 359 total cpu time spent up to now is 541.2 secs Computing kpt #: 360 total cpu time spent up to now is 542.6 secs Computing kpt #: 361 total cpu time spent up to now is 543.9 secs Computing kpt #: 362 total cpu time spent up to now is 545.2 secs Computing kpt #: 363 total cpu time spent up to now is 546.8 secs Computing kpt #: 364 total cpu time spent up to now is 548.3 secs Computing kpt #: 365 total cpu time spent up to now is 549.7 secs Computing kpt #: 366 total cpu time spent up to now is 551.0 secs Computing kpt #: 367 total cpu time spent up to now is 552.4 secs Computing kpt #: 368 total cpu time spent up to now is 553.8 secs Computing kpt #: 369 total cpu time spent up to now is 555.2 secs Computing kpt #: 370 total cpu time spent up to now is 556.6 secs ethr = 2.50E-11, avg # of iterations = 22.7 total cpu time spent up to now is 556.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5203 PWs) bands (ev): -9.9364 -9.9364 -9.7474 -9.7474 -9.2148 -9.2148 -9.2092 -9.2092 -9.1890 -9.1890 -9.0076 -9.0076 -8.3673 -8.3673 -8.3634 -8.3634 -8.3571 -8.3571 -8.3265 -8.3265 -8.3138 -8.3138 -8.1685 -8.1685 0.7665 0.7665 0.9995 0.9995 1.0218 1.0218 1.5719 1.5719 2.0942 2.0942 2.5746 2.5746 2.9144 2.9144 4.3783 4.3783 9.1167 9.1167 9.1535 9.1535 9.3632 9.3632 9.7872 9.7872 k = 0.0071 0.0196-0.0000 ( 5229 PWs) bands (ev): -9.9362 -9.9362 -9.7474 -9.7474 -9.2150 -9.2150 -9.2093 -9.2093 -9.1891 -9.1891 -9.0078 -9.0078 -8.3674 -8.3674 -8.3635 -8.3635 -8.3573 -8.3573 -8.3267 -8.3267 -8.3139 -8.3139 -8.1687 -8.1687 0.7642 0.7642 1.0007 1.0007 1.0175 1.0175 1.5729 1.5729 2.0957 2.0957 2.5771 2.5771 2.9166 2.9166 4.3788 4.3788 9.0292 9.0292 9.2268 9.2268 9.3695 9.3695 9.7893 9.7893 k = 0.0141 0.0392-0.0000 ( 5241 PWs) bands (ev): -9.9353 -9.9353 -9.7472 -9.7472 -9.2150 -9.2150 -9.2094 -9.2094 -9.1891 -9.1891 -9.0081 -9.0081 -8.3674 -8.3674 -8.3636 -8.3636 -8.3573 -8.3573 -8.3267 -8.3267 -8.3140 -8.3140 -8.1691 -8.1691 0.7576 0.7576 1.0033 1.0033 1.0052 1.0052 1.5760 1.5760 2.1001 2.1001 2.5844 2.5844 2.9235 2.9235 4.3804 4.3804 8.9183 8.9183 9.2809 9.2809 9.4023 9.4023 9.7957 9.7957 k = 0.0212 0.0588-0.0000 ( 5243 PWs) bands (ev): -9.9340 -9.9340 -9.7468 -9.7468 -9.2150 -9.2150 -9.2094 -9.2094 -9.1889 -9.1889 -9.0085 -9.0085 -8.3674 -8.3674 -8.3636 -8.3636 -8.3572 -8.3572 -8.3266 -8.3266 -8.3141 -8.3141 -8.1697 -8.1697 0.7469 0.7469 0.9831 0.9831 1.0098 1.0098 1.5812 1.5812 2.1074 2.1074 2.5958 2.5958 2.9353 2.9353 4.3830 4.3830 8.8017 8.8017 9.2913 9.2913 9.4685 9.4685 9.8057 9.8057 k = 0.0282 0.0784-0.0000 ( 5251 PWs) bands (ev): -9.9321 -9.9321 -9.7462 -9.7462 -9.2149 -9.2149 -9.2095 -9.2095 -9.1886 -9.1886 -9.0092 -9.0092 -8.3672 -8.3672 -8.3637 -8.3637 -8.3572 -8.3572 -8.3265 -8.3265 -8.3142 -8.3142 -8.1706 -8.1706 0.7323 0.7323 0.9544 0.9544 1.0175 1.0175 1.5884 1.5884 2.1173 2.1173 2.6102 2.6102 2.9522 2.9522 4.3867 4.3867 8.6814 8.6814 9.2815 9.2815 9.5429 9.5429 9.8182 9.8182 k = 0.0353 0.0981-0.0000 ( 5255 PWs) bands (ev): -9.9298 -9.9298 -9.7455 -9.7455 -9.2150 -9.2150 -9.2095 -9.2095 -9.1882 -9.1882 -9.0099 -9.0099 -8.3672 -8.3672 -8.3637 -8.3637 -8.3571 -8.3571 -8.3264 -8.3264 -8.3143 -8.3143 -8.1716 -8.1716 0.7143 0.7143 0.9190 0.9190 1.0271 1.0271 1.5977 1.5977 2.1297 2.1297 2.6264 2.6264 2.9747 2.9747 4.3915 4.3915 8.5582 8.5582 9.2626 9.2626 9.6130 9.6130 9.8315 9.8315 k = 0.0424 0.1177-0.0000 ( 5261 PWs) bands (ev): -9.9269 -9.9269 -9.7447 -9.7447 -9.2149 -9.2149 -9.2095 -9.2095 -9.1878 -9.1878 -9.0108 -9.0108 -8.3671 -8.3671 -8.3637 -8.3637 -8.3570 -8.3570 -8.3263 -8.3263 -8.3145 -8.3145 -8.1730 -8.1730 0.6932 0.6932 0.8778 0.8778 1.0386 1.0386 1.6089 1.6089 2.1444 2.1444 2.6430 2.6430 3.0030 3.0030 4.3973 4.3973 8.4332 8.4332 9.2374 9.2374 9.6748 9.6748 9.8434 9.8434 k = 0.0494 0.1373-0.0000 ( 5263 PWs) bands (ev): -9.9235 -9.9235 -9.7437 -9.7437 -9.2149 -9.2149 -9.2095 -9.2095 -9.1873 -9.1873 -9.0119 -9.0119 -8.3669 -8.3669 -8.3636 -8.3636 -8.3569 -8.3569 -8.3261 -8.3261 -8.3146 -8.3146 -8.1745 -8.1745 0.6694 0.6694 0.8318 0.8318 1.0520 1.0520 1.6220 1.6220 2.1611 2.1611 2.6593 2.6593 3.0370 3.0370 4.4042 4.4042 8.3070 8.3070 9.2067 9.2067 9.7253 9.7253 9.8512 9.8512 k = 0.0565 0.1569-0.0000 ( 5255 PWs) bands (ev): -9.9196 -9.9196 -9.7425 -9.7425 -9.2148 -9.2148 -9.2094 -9.2094 -9.1866 -9.1866 -9.0131 -9.0131 -8.3667 -8.3667 -8.3635 -8.3635 -8.3568 -8.3568 -8.3258 -8.3258 -8.3146 -8.3146 -8.1762 -8.1762 0.6434 0.6434 0.7818 0.7818 1.0672 1.0672 1.6370 1.6370 2.1795 2.1795 2.6745 2.6745 3.0764 3.0764 4.4123 4.4123 8.1803 8.1803 9.1710 9.1710 9.7590 9.7590 9.8538 9.8538 k = 0.0635 0.1765-0.0000 ( 5259 PWs) bands (ev): -9.9153 -9.9153 -9.7413 -9.7413 -9.2147 -9.2147 -9.2094 -9.2094 -9.1859 -9.1859 -9.0145 -9.0145 -8.3665 -8.3665 -8.3635 -8.3635 -8.3567 -8.3567 -8.3256 -8.3256 -8.3149 -8.3149 -8.1782 -8.1782 0.6155 0.6155 0.7288 0.7288 1.0840 1.0840 1.6538 1.6538 2.1994 2.1994 2.6884 2.6884 3.1207 3.1207 4.4215 4.4215 8.0538 8.0538 9.1305 9.1305 9.7650 9.7650 9.8546 9.8546 k = 0.0706 0.1961-0.0000 ( 5267 PWs) bands (ev): -9.9106 -9.9106 -9.7400 -9.7400 -9.2147 -9.2147 -9.2094 -9.2094 -9.1851 -9.1851 -9.0161 -9.0161 -8.3663 -8.3663 -8.3635 -8.3635 -8.3565 -8.3565 -8.3252 -8.3252 -8.3151 -8.3151 -8.1804 -8.1804 0.5858 0.5858 0.6734 0.6734 1.1026 1.1026 1.6724 1.6724 2.2205 2.2205 2.7009 2.7009 3.1691 3.1691 4.4320 4.4320 7.9279 7.9279 9.0854 9.0854 9.7360 9.7360 9.8523 9.8523 k = 0.0777 0.2157-0.0000 ( 5265 PWs) bands (ev): -9.9055 -9.9055 -9.7386 -9.7386 -9.2146 -9.2146 -9.2094 -9.2094 -9.1841 -9.1841 -9.0179 -9.0179 -8.3661 -8.3661 -8.3634 -8.3634 -8.3563 -8.3563 -8.3248 -8.3248 -8.3152 -8.3152 -8.1827 -8.1827 0.5544 0.5544 0.6169 0.6169 1.1229 1.1229 1.6926 1.6926 2.2425 2.2425 2.7120 2.7120 3.2207 3.2207 4.4436 4.4436 7.8034 7.8034 9.0358 9.0358 9.6790 9.6790 9.8334 9.8334 k = 0.0847 0.2353-0.0000 ( 5265 PWs) bands (ev): -9.9000 -9.9000 -9.7371 -9.7371 -9.2145 -9.2145 -9.2093 -9.2093 -9.1831 -9.1831 -9.0198 -9.0198 -8.3659 -8.3659 -8.3633 -8.3633 -8.3562 -8.3562 -8.3244 -8.3244 -8.3154 -8.3154 -8.1853 -8.1853 0.5204 0.5204 0.5610 0.5610 1.1448 1.1448 1.7144 1.7144 2.2651 2.2651 2.7218 2.7218 3.2749 3.2749 4.4565 4.4565 7.6806 7.6806 8.9820 8.9820 9.6022 9.6022 9.7928 9.7928 k = 0.0918 0.2550-0.0000 ( 5259 PWs) bands (ev): -9.8942 -9.8942 -9.7355 -9.7355 -9.2144 -9.2144 -9.2093 -9.2093 -9.1820 -9.1820 -9.0219 -9.0219 -8.3656 -8.3656 -8.3632 -8.3632 -8.3559 -8.3559 -8.3238 -8.3238 -8.3156 -8.3156 -8.1880 -8.1880 0.4790 0.4790 0.5112 0.5112 1.1684 1.1684 1.7377 1.7377 2.2880 2.2880 2.7306 2.7306 3.3307 3.3307 4.4708 4.4708 7.5601 7.5601 8.9242 8.9242 9.5119 9.5119 9.7377 9.7377 k = 0.0988 0.2746-0.0000 ( 5259 PWs) bands (ev): -9.8880 -9.8880 -9.7339 -9.7339 -9.2143 -9.2143 -9.2092 -9.2092 -9.1808 -9.1808 -9.0241 -9.0241 -8.3654 -8.3654 -8.3630 -8.3630 -8.3558 -8.3558 -8.3233 -8.3233 -8.3157 -8.3157 -8.1908 -8.1908 0.4262 0.4262 0.4722 0.4722 1.1935 1.1935 1.7625 1.7625 2.3111 2.3111 2.7385 2.7385 3.3876 3.3876 4.4864 4.4864 7.4425 7.4425 8.8626 8.8626 9.4124 9.4124 9.6757 9.6757 k = 0.1059 0.2942-0.0000 ( 5267 PWs) bands (ev): -9.8816 -9.8816 -9.7324 -9.7324 -9.2142 -9.2142 -9.2092 -9.2092 -9.1795 -9.1795 -9.0265 -9.0265 -8.3653 -8.3653 -8.3630 -8.3630 -8.3556 -8.3556 -8.3227 -8.3227 -8.3159 -8.3159 -8.1940 -8.1940 0.3683 0.3683 0.4385 0.4385 1.2201 1.2201 1.7887 1.7887 2.3341 2.3341 2.7454 2.7454 3.4448 3.4448 4.5033 4.5033 7.3281 7.3281 8.7975 8.7975 9.3073 9.3073 9.6112 9.6112 k = 0.1130 0.3138-0.0000 ( 5263 PWs) bands (ev): -9.8749 -9.8749 -9.7308 -9.7308 -9.2141 -9.2141 -9.2092 -9.2092 -9.1780 -9.1780 -9.0291 -9.0291 -8.3651 -8.3651 -8.3628 -8.3628 -8.3554 -8.3554 -8.3218 -8.3218 -8.3161 -8.3161 -8.1972 -8.1972 0.3092 0.3092 0.4067 0.4067 1.2482 1.2482 1.8161 1.8161 2.3567 2.3567 2.7514 2.7514 3.5017 3.5017 4.5217 4.5217 7.2177 7.2177 8.7292 8.7292 9.1988 9.1988 9.5465 9.5465 k = 0.1200 0.3334-0.0000 ( 5251 PWs) bands (ev): -9.8680 -9.8680 -9.7292 -9.7292 -9.2139 -9.2139 -9.2091 -9.2091 -9.1763 -9.1763 -9.0319 -9.0319 -8.3649 -8.3649 -8.3625 -8.3625 -8.3551 -8.3551 -8.3209 -8.3209 -8.3163 -8.3163 -8.2005 -8.2005 0.2502 0.2502 0.3761 0.3761 1.2776 1.2776 1.8448 1.8448 2.3788 2.3788 2.7567 2.7567 3.5578 3.5578 4.5416 4.5416 7.1117 7.1117 8.6579 8.6579 9.0888 9.0888 9.4831 9.4831 k = 0.1271 0.3530-0.0000 ( 5251 PWs) bands (ev): -9.8610 -9.8610 -9.7276 -9.7276 -9.2139 -9.2139 -9.2091 -9.2091 -9.1746 -9.1746 -9.0347 -9.0347 -8.3649 -8.3649 -8.3624 -8.3624 -8.3548 -8.3548 -8.3200 -8.3200 -8.3164 -8.3164 -8.2039 -8.2039 0.1918 0.1918 0.3467 0.3467 1.3084 1.3084 1.8745 1.8745 2.4001 2.4001 2.7613 2.7613 3.6124 3.6124 4.5630 4.5630 7.0106 7.0106 8.5837 8.5837 8.9787 8.9787 9.4218 9.4218 k = 0.1341 0.3726-0.0000 ( 5239 PWs) bands (ev): -9.8538 -9.8538 -9.7261 -9.7261 -9.2137 -9.2137 -9.2090 -9.2090 -9.1727 -9.1727 -9.0378 -9.0378 -8.3648 -8.3648 -8.3622 -8.3622 -8.3545 -8.3545 -8.3189 -8.3189 -8.3165 -8.3165 -8.2075 -8.2075 0.1343 0.1343 0.3184 0.3184 1.3404 1.3404 1.9053 1.9053 2.4204 2.4204 2.7650 2.7650 3.6651 3.6651 4.5859 4.5859 6.9152 6.9152 8.5068 8.5068 8.8698 8.8698 9.3635 9.3635 k = 0.1412 0.3922-0.0000 ( 5243 PWs) bands (ev): -9.8466 -9.8466 -9.7248 -9.7248 -9.2137 -9.2137 -9.2090 -9.2090 -9.1708 -9.1708 -9.0410 -9.0410 -8.3648 -8.3648 -8.3621 -8.3621 -8.3542 -8.3542 -8.3179 -8.3179 -8.3165 -8.3165 -8.2112 -8.2112 0.0780 0.0780 0.2915 0.2915 1.3736 1.3736 1.9369 1.9369 2.4395 2.4395 2.7680 2.7680 3.7151 3.7151 4.6103 4.6103 6.8259 6.8259 8.4274 8.4274 8.7630 8.7630 9.3087 9.3087 k = 0.1483 0.4119-0.0000 ( 5255 PWs) bands (ev): -9.8393 -9.8393 -9.7235 -9.7235 -9.2136 -9.2136 -9.2091 -9.2091 -9.1687 -9.1687 -9.0445 -9.0445 -8.3650 -8.3650 -8.3621 -8.3621 -8.3540 -8.3540 -8.3175 -8.3175 -8.3160 -8.3160 -8.2151 -8.2151 0.0231 0.0231 0.2660 0.2660 1.4078 1.4078 1.9693 1.9693 2.4572 2.4572 2.7703 2.7703 3.7621 3.7621 4.6363 4.6363 6.7436 6.7436 8.3455 8.3455 8.6595 8.6595 9.2577 9.2577 k = 0.1553 0.4315-0.0000 ( 5259 PWs) bands (ev): -9.8319 -9.8319 -9.7224 -9.7224 -9.2136 -9.2136 -9.2092 -9.2092 -9.1666 -9.1666 -9.0480 -9.0480 -8.3650 -8.3650 -8.3620 -8.3620 -8.3537 -8.3537 -8.3175 -8.3175 -8.3147 -8.3147 -8.2190 -8.2190 -0.0301 -0.0301 0.2422 0.2422 1.4429 1.4429 2.0023 2.0023 2.4733 2.4733 2.7719 2.7719 3.8054 3.8054 4.6637 4.6637 6.6688 6.6688 8.2612 8.2612 8.5599 8.5599 9.2110 9.2110 k = 0.1624 0.4511-0.0000 ( 5257 PWs) bands (ev): -9.8247 -9.8247 -9.7214 -9.7214 -9.2135 -9.2135 -9.2092 -9.2092 -9.1642 -9.1642 -9.0516 -9.0516 -8.3651 -8.3651 -8.3618 -8.3618 -8.3534 -8.3534 -8.3176 -8.3176 -8.3133 -8.3133 -8.2229 -8.2229 -0.0816 -0.0816 0.2202 0.2202 1.4789 1.4789 2.0359 2.0359 2.4876 2.4876 2.7729 2.7729 3.8443 3.8443 4.6925 4.6925 6.6023 6.6023 8.1749 8.1749 8.4651 8.4651 9.1689 9.1689 k = 0.1694 0.4707-0.0000 ( 5257 PWs) bands (ev): -9.8174 -9.8174 -9.7206 -9.7206 -9.2133 -9.2133 -9.2092 -9.2092 -9.1618 -9.1618 -9.0555 -9.0555 -8.3652 -8.3652 -8.3616 -8.3616 -8.3531 -8.3531 -8.3179 -8.3179 -8.3116 -8.3116 -8.2269 -8.2269 -0.1313 -0.1313 0.2001 0.2001 1.5156 1.5156 2.0698 2.0698 2.4999 2.4999 2.7732 2.7732 3.8785 3.8785 4.7226 4.7226 6.5446 6.5446 8.0869 8.0869 8.3755 8.3755 9.1316 9.1316 k = 0.1765 0.4903-0.0000 ( 5249 PWs) bands (ev): -9.8103 -9.8103 -9.7200 -9.7200 -9.2132 -9.2132 -9.2092 -9.2092 -9.1592 -9.1592 -9.0594 -9.0594 -8.3653 -8.3653 -8.3615 -8.3615 -8.3527 -8.3527 -8.3180 -8.3180 -8.3099 -8.3099 -8.2309 -8.2309 -0.1789 -0.1789 0.1820 0.1820 1.5528 1.5528 2.1038 2.1038 2.5100 2.5100 2.7730 2.7730 3.9074 3.9074 4.7538 4.7538 6.4965 6.4965 7.9980 7.9980 8.2911 8.2911 9.0993 9.0993 k = 0.1836 0.5099-0.0000 ( 5257 PWs) bands (ev): -9.8034 -9.8034 -9.7197 -9.7197 -9.2132 -9.2132 -9.2093 -9.2093 -9.1566 -9.1566 -9.0634 -9.0634 -8.3655 -8.3655 -8.3614 -8.3614 -8.3525 -8.3525 -8.3182 -8.3182 -8.3081 -8.3081 -8.2349 -8.2349 -0.2244 -0.2244 0.1660 0.1660 1.5904 1.5904 2.1379 2.1379 2.5177 2.5177 2.7724 2.7724 3.9305 3.9305 4.7861 4.7861 6.4585 6.4585 7.9090 7.9090 8.2119 8.2119 9.0722 9.0722 k = 0.1906 0.5295-0.0000 ( 5257 PWs) bands (ev): -9.7966 -9.7966 -9.7195 -9.7195 -9.2130 -9.2130 -9.2093 -9.2093 -9.1538 -9.1538 -9.0675 -9.0675 -8.3656 -8.3656 -8.3613 -8.3613 -8.3522 -8.3522 -8.3185 -8.3185 -8.3061 -8.3061 -8.2389 -8.2389 -0.2676 -0.2676 0.1522 0.1522 1.6282 1.6282 2.1717 2.1717 2.5230 2.5230 2.7715 2.7715 3.9478 3.9478 4.8191 4.8191 6.4309 6.4309 7.8210 7.8210 8.1379 8.1379 9.0504 9.0504 k = 0.1977 0.5491-0.0000 ( 5251 PWs) bands (ev): -9.7900 -9.7900 -9.7196 -9.7196 -9.2129 -9.2129 -9.2093 -9.2093 -9.1510 -9.1510 -9.0716 -9.0716 -8.3657 -8.3657 -8.3612 -8.3612 -8.3519 -8.3519 -8.3186 -8.3186 -8.3041 -8.3041 -8.2428 -8.2428 -0.3086 -0.3086 0.1407 0.1407 1.6661 1.6661 2.2052 2.2052 2.5258 2.5258 2.7702 2.7702 3.9590 3.9590 4.8526 4.8526 6.4139 6.4139 7.7350 7.7350 8.0688 8.0688 9.0338 9.0338 k = 0.2047 0.5688-0.0000 ( 5243 PWs) bands (ev): -9.7837 -9.7837 -9.7200 -9.7200 -9.2127 -9.2127 -9.2093 -9.2093 -9.1480 -9.1480 -9.0759 -9.0759 -8.3659 -8.3659 -8.3610 -8.3610 -8.3515 -8.3515 -8.3188 -8.3188 -8.3019 -8.3019 -8.2467 -8.2467 -0.3473 -0.3473 0.1315 0.1315 1.7038 1.7038 2.2379 2.2379 2.5261 2.5261 2.7688 2.7688 3.9642 3.9642 4.8861 4.8861 6.4077 6.4077 7.6521 7.6521 8.0045 8.0045 9.0226 9.0226 k = 0.2118 0.5884-0.0000 ( 5245 PWs) bands (ev): -9.7777 -9.7777 -9.7206 -9.7206 -9.2126 -9.2126 -9.2094 -9.2094 -9.1450 -9.1450 -9.0802 -9.0802 -8.3661 -8.3661 -8.3609 -8.3609 -8.3512 -8.3512 -8.3190 -8.3190 -8.2997 -8.2997 -8.2506 -8.2506 -0.3834 -0.3834 0.1247 0.1247 1.7411 1.7411 2.2696 2.2696 2.5240 2.5240 2.7673 2.7673 3.9639 3.9639 4.9193 4.9193 6.4120 6.4120 7.5731 7.5731 7.9450 7.9450 9.0164 9.0164 k = 0.2189 0.6080-0.0000 ( 5251 PWs) bands (ev): -9.7720 -9.7720 -9.7216 -9.7216 -9.2126 -9.2126 -9.2094 -9.2094 -9.1420 -9.1420 -9.0844 -9.0844 -8.3663 -8.3663 -8.3609 -8.3609 -8.3509 -8.3509 -8.3193 -8.3193 -8.2974 -8.2974 -8.2543 -8.2543 -0.4172 -0.4172 0.1204 0.1204 1.7777 1.7777 2.2999 2.2999 2.5197 2.5197 2.7656 2.7656 3.9584 3.9584 4.9515 4.9515 6.4266 6.4266 7.4993 7.4993 7.8901 7.8901 9.0147 9.0147 k = 0.2259 0.6276-0.0000 ( 5253 PWs) bands (ev): -9.7666 -9.7666 -9.7228 -9.7228 -9.2125 -9.2125 -9.2095 -9.2095 -9.1390 -9.1390 -9.0887 -9.0887 -8.3665 -8.3665 -8.3609 -8.3609 -8.3506 -8.3506 -8.3195 -8.3195 -8.2952 -8.2952 -8.2579 -8.2579 -0.4484 -0.4484 0.1185 0.1185 1.8135 1.8135 2.3281 2.3281 2.5139 2.5139 2.7639 2.7639 3.9484 3.9484 4.9822 4.9822 6.4508 6.4508 7.4314 7.4314 7.8401 7.8401 9.0159 9.0159 k = 0.2330 0.6472-0.0000 ( 5249 PWs) bands (ev): -9.7616 -9.7616 -9.7243 -9.7243 -9.2123 -9.2123 -9.2095 -9.2095 -9.1360 -9.1360 -9.0929 -9.0929 -8.3667 -8.3667 -8.3607 -8.3607 -8.3502 -8.3502 -8.3198 -8.3198 -8.2929 -8.2929 -8.2613 -8.2613 -0.4770 -0.4770 0.1191 0.1191 1.8482 1.8482 2.3533 2.3533 2.5072 2.5072 2.7622 2.7622 3.9349 3.9349 5.0104 5.0104 6.4840 6.4840 7.3707 7.3707 7.7949 7.7949 9.0144 9.0144 k = 0.2400 0.6668-0.0000 ( 5255 PWs) bands (ev): -9.7570 -9.7570 -9.7261 -9.7261 -9.2123 -9.2123 -9.2096 -9.2096 -9.1332 -9.1332 -9.0969 -9.0969 -8.3669 -8.3669 -8.3607 -8.3607 -8.3500 -8.3500 -8.3201 -8.3201 -8.2908 -8.2908 -8.2645 -8.2645 -0.5031 -0.5031 0.1221 0.1221 1.8814 1.8814 2.3739 2.3739 2.5014 2.5014 2.7604 2.7604 3.9186 3.9186 5.0354 5.0354 6.5256 6.5256 7.3180 7.3180 7.7547 7.7547 8.9923 8.9923 k = 0.2471 0.6864-0.0000 ( 5255 PWs) bands (ev): -9.7529 -9.7529 -9.7281 -9.7281 -9.2122 -9.2122 -9.2096 -9.2096 -9.1306 -9.1306 -9.1005 -9.1005 -8.3671 -8.3671 -8.3607 -8.3607 -8.3497 -8.3497 -8.3204 -8.3204 -8.2889 -8.2889 -8.2672 -8.2672 -0.5267 -0.5267 0.1277 0.1277 1.9128 1.9128 2.3874 2.3874 2.4989 2.4989 2.7586 2.7586 3.9005 3.9005 5.0564 5.0564 6.5748 6.5748 7.2743 7.2743 7.7197 7.7197 8.9391 8.9391 k = 0.2542 0.7060-0.0000 ( 5251 PWs) bands (ev): -9.7494 -9.7494 -9.7303 -9.7303 -9.2121 -9.2121 -9.2096 -9.2096 -9.1284 -9.1284 -9.1036 -9.1036 -8.3673 -8.3673 -8.3606 -8.3606 -8.3493 -8.3493 -8.3207 -8.3207 -8.2875 -8.2875 -8.2691 -8.2691 -0.5476 -0.5476 0.1357 0.1357 1.9422 1.9422 2.3915 2.3915 2.5019 2.5019 2.7568 2.7568 3.8815 3.8815 5.0723 5.0723 6.6309 6.6309 7.2407 7.2407 7.6899 7.6899 8.8725 8.8725 k = 0.2612 0.7257-0.0000 ( 5256 PWs) bands (ev): -9.7468 -9.7468 -9.7323 -9.7323 -9.2120 -9.2120 -9.2096 -9.2096 -9.1271 -9.1271 -9.1059 -9.1059 -8.3674 -8.3674 -8.3606 -8.3606 -8.3490 -8.3490 -8.3210 -8.3210 -8.2870 -8.2870 -8.2701 -8.2701 -0.5661 -0.5661 0.1461 0.1461 1.9692 1.9692 2.3863 2.3863 2.5105 2.5105 2.7552 2.7552 3.8626 3.8626 5.0823 5.0823 6.6930 6.6930 7.2178 7.2178 7.6655 7.6655 8.8022 8.8022 k = 0.2683 0.7453-0.0000 ( 5256 PWs) bands (ev): -9.7457 -9.7457 -9.7335 -9.7335 -9.2120 -9.2120 -9.2096 -9.2096 -9.1270 -9.1270 -9.1067 -9.1067 -8.3675 -8.3675 -8.3607 -8.3607 -8.3488 -8.3488 -8.3214 -8.3214 -8.2874 -8.2874 -8.2698 -8.2698 -0.5820 -0.5820 0.1589 0.1589 1.9934 1.9934 2.3743 2.3743 2.5221 2.5221 2.7538 2.7538 3.8445 3.8445 5.0859 5.0859 6.7604 6.7604 7.2065 7.2065 7.6468 7.6468 8.7313 8.7313 k = 0.2753 0.7649-0.0000 ( 5258 PWs) bands (ev): -9.7466 -9.7466 -9.7334 -9.7334 -9.2119 -9.2119 -9.2097 -9.2097 -9.1284 -9.1284 -9.1061 -9.1061 -8.3678 -8.3678 -8.3606 -8.3606 -8.3484 -8.3484 -8.3218 -8.3218 -8.2889 -8.2889 -8.2684 -8.2684 -0.5954 -0.5954 0.1740 0.1740 2.0145 2.0145 2.3583 2.3583 2.5340 2.5340 2.7529 2.7529 3.8280 3.8280 5.0824 5.0824 6.8324 6.8324 7.2070 7.2070 7.6339 7.6339 8.6609 8.6609 k = 0.2824 0.7845-0.0000 ( 5260 PWs) bands (ev): -9.7492 -9.7492 -9.7323 -9.7323 -9.2119 -9.2119 -9.2097 -9.2097 -9.1308 -9.1308 -9.1044 -9.1044 -8.3679 -8.3679 -8.3606 -8.3606 -8.3482 -8.3482 -8.3223 -8.3223 -8.2908 -8.2908 -8.2663 -8.2663 -0.6064 -0.6064 0.1914 0.1914 2.0320 2.0320 2.3400 2.3400 2.5447 2.5447 2.7524 2.7524 3.8138 3.8138 5.0717 5.0717 6.9082 6.9082 7.2194 7.2194 7.6271 7.6271 8.5918 8.5918 k = 0.2824 0.7845-0.0000 ( 5260 PWs) bands (ev): -9.7492 -9.7492 -9.7323 -9.7323 -9.2119 -9.2119 -9.2097 -9.2097 -9.1308 -9.1308 -9.1044 -9.1044 -8.3679 -8.3679 -8.3606 -8.3606 -8.3482 -8.3482 -8.3223 -8.3223 -8.2908 -8.2908 -8.2663 -8.2663 -0.6064 -0.6064 0.1914 0.1914 2.0320 2.0320 2.3400 2.3400 2.5447 2.5447 2.7524 2.7524 3.8138 3.8138 5.0717 5.0717 6.9082 6.9082 7.2194 7.2194 7.6271 7.6271 8.5918 8.5918 k = 0.2622 0.7845-0.0000 ( 5258 PWs) bands (ev): -9.7483 -9.7483 -9.7327 -9.7327 -9.2119 -9.2119 -9.2097 -9.2097 -9.1299 -9.1299 -9.1051 -9.1051 -8.3678 -8.3678 -8.3606 -8.3606 -8.3482 -8.3482 -8.3221 -8.3221 -8.2901 -8.2901 -8.2670 -8.2670 -0.6024 -0.6024 0.1846 0.1846 2.0284 2.0284 2.3456 2.3456 2.5417 2.5417 2.7505 2.7505 3.8186 3.8186 5.0743 5.0743 6.8839 6.8839 7.2159 7.2159 7.6295 7.6295 8.6143 8.6143 k = 0.2421 0.7845-0.0000 ( 5255 PWs) bands (ev): -9.7477 -9.7477 -9.7329 -9.7329 -9.2120 -9.2120 -9.2096 -9.2096 -9.1290 -9.1290 -9.1056 -9.1056 -8.3677 -8.3677 -8.3607 -8.3607 -8.3483 -8.3483 -8.3220 -8.3220 -8.2893 -8.2893 -8.2677 -8.2677 -0.5967 -0.5967 0.1763 0.1763 2.0281 2.0281 2.3497 2.3497 2.5389 2.5389 2.7450 2.7450 3.8244 3.8244 5.0729 5.0729 6.8621 6.8621 7.2169 7.2169 7.6342 7.6342 8.6368 8.6368 k = 0.2219 0.7845-0.0000 ( 5261 PWs) bands (ev): -9.7474 -9.7474 -9.7330 -9.7330 -9.2120 -9.2120 -9.2097 -9.2097 -9.1282 -9.1282 -9.1062 -9.1062 -8.3677 -8.3677 -8.3608 -8.3608 -8.3484 -8.3484 -8.3220 -8.3220 -8.2887 -8.2887 -8.2684 -8.2684 -0.5897 -0.5897 0.1667 0.1667 2.0310 2.0310 2.3523 2.3523 2.5366 2.5366 2.7362 2.7362 3.8309 3.8309 5.0681 5.0681 6.8433 6.8433 7.2213 7.2213 7.6409 7.6409 8.6591 8.6591 k = 0.2017 0.7845-0.0000 ( 5252 PWs) bands (ev): -9.7472 -9.7472 -9.7329 -9.7329 -9.2120 -9.2120 -9.2097 -9.2097 -9.1272 -9.1272 -9.1067 -9.1067 -8.3676 -8.3676 -8.3608 -8.3608 -8.3483 -8.3483 -8.3220 -8.3220 -8.2877 -8.2877 -8.2689 -8.2689 -0.5814 -0.5814 0.1559 0.1559 2.0373 2.0373 2.3533 2.3533 2.5347 2.5347 2.7246 2.7246 3.8378 3.8378 5.0605 5.0605 6.8276 6.8276 7.2283 7.2283 7.6492 7.6492 8.6811 8.6811 k = 0.1815 0.7845-0.0000 ( 5254 PWs) bands (ev): -9.7473 -9.7473 -9.7328 -9.7328 -9.2120 -9.2120 -9.2097 -9.2097 -9.1263 -9.1263 -9.1073 -9.1073 -8.3676 -8.3676 -8.3609 -8.3609 -8.3483 -8.3483 -8.3220 -8.3220 -8.2868 -8.2868 -8.2696 -8.2696 -0.5722 -0.5722 0.1440 0.1440 2.0468 2.0468 2.3527 2.3527 2.5332 2.5332 2.7107 2.7107 3.8449 3.8449 5.0509 5.0509 6.8149 6.8149 7.2369 7.2369 7.6587 7.6587 8.7025 8.7025 k = 0.1614 0.7845-0.0000 ( 5246 PWs) bands (ev): -9.7475 -9.7475 -9.7326 -9.7326 -9.2120 -9.2120 -9.2097 -9.2097 -9.1252 -9.1252 -9.1078 -9.1078 -8.3675 -8.3675 -8.3610 -8.3610 -8.3483 -8.3483 -8.3220 -8.3220 -8.2858 -8.2858 -8.2702 -8.2702 -0.5624 -0.5624 0.1316 0.1316 2.0594 2.0594 2.3503 2.3503 2.5319 2.5319 2.6952 2.6952 3.8518 3.8518 5.0399 5.0399 6.8051 6.8051 7.2463 7.2463 7.6690 7.6690 8.7232 8.7232 k = 0.1412 0.7845-0.0000 ( 5247 PWs) bands (ev): -9.7478 -9.7478 -9.7323 -9.7323 -9.2121 -9.2121 -9.2096 -9.2096 -9.1242 -9.1242 -9.1085 -9.1085 -8.3674 -8.3674 -8.3611 -8.3611 -8.3483 -8.3483 -8.3221 -8.3221 -8.2848 -8.2848 -8.2709 -8.2709 -0.5523 -0.5523 0.1188 0.1188 2.0748 2.0748 2.3460 2.3460 2.5308 2.5308 2.6790 2.6790 3.8584 3.8584 5.0283 5.0283 6.7978 6.7978 7.2558 7.2558 7.6796 7.6796 8.7431 8.7431 k = 0.1210 0.7845-0.0000 ( 5250 PWs) bands (ev): -9.7481 -9.7481 -9.7321 -9.7321 -9.2121 -9.2121 -9.2096 -9.2096 -9.1232 -9.1232 -9.1092 -9.1092 -8.3673 -8.3673 -8.3612 -8.3612 -8.3483 -8.3483 -8.3222 -8.3222 -8.2838 -8.2838 -8.2717 -8.2717 -0.5422 -0.5422 0.1062 0.1062 2.0926 2.0926 2.3398 2.3398 2.5296 2.5296 2.6628 2.6628 3.8645 3.8645 5.0168 5.0168 6.7927 6.7927 7.2648 7.2648 7.6902 7.6902 8.7618 8.7618 k = 0.1009 0.7845-0.0000 ( 5251 PWs) bands (ev): -9.7484 -9.7484 -9.7319 -9.7319 -9.2121 -9.2121 -9.2096 -9.2096 -9.1222 -9.1222 -9.1099 -9.1099 -8.3673 -8.3673 -8.3614 -8.3614 -8.3483 -8.3483 -8.3223 -8.3223 -8.2828 -8.2828 -8.2724 -8.2724 -0.5327 -0.5327 0.0943 0.0943 2.1122 2.1122 2.3315 2.3315 2.5283 2.5283 2.6477 2.6477 3.8698 3.8698 5.0060 5.0060 6.7893 6.7893 7.2729 7.2729 7.7001 7.7001 8.7790 8.7790 k = 0.0807 0.7845-0.0000 ( 5251 PWs) bands (ev): -9.7487 -9.7487 -9.7317 -9.7317 -9.2122 -9.2122 -9.2096 -9.2096 -9.1211 -9.1211 -9.1107 -9.1107 -8.3672 -8.3672 -8.3615 -8.3615 -8.3482 -8.3482 -8.3223 -8.3223 -8.2818 -8.2818 -8.2731 -8.2731 -0.5240 -0.5240 0.0836 0.0836 2.1329 2.1329 2.3212 2.3212 2.5268 2.5268 2.6344 2.6344 3.8744 3.8744 4.9964 4.9964 6.7872 6.7872 7.2797 7.2797 7.7090 7.7090 8.7941 8.7941 k = 0.0605 0.7845-0.0000 ( 5251 PWs) bands (ev): -9.7489 -9.7489 -9.7316 -9.7316 -9.2122 -9.2122 -9.2096 -9.2096 -9.1202 -9.1202 -9.1114 -9.1114 -8.3672 -8.3672 -8.3616 -8.3616 -8.3482 -8.3482 -8.3224 -8.3224 -8.2808 -8.2808 -8.2739 -8.2739 -0.5167 -0.5167 0.0746 0.0746 2.1539 2.1539 2.3091 2.3091 2.5251 2.5251 2.6237 2.6237 3.8780 3.8780 4.9886 4.9886 6.7861 6.7861 7.2851 7.2851 7.7165 7.7165 8.8067 8.8067 k = 0.0403 0.7845-0.0000 ( 5258 PWs) bands (ev): -9.7491 -9.7491 -9.7315 -9.7315 -9.2123 -9.2123 -9.2097 -9.2097 -9.1193 -9.1193 -9.1122 -9.1122 -8.3671 -8.3671 -8.3617 -8.3617 -8.3482 -8.3482 -8.3225 -8.3225 -8.2799 -8.2799 -8.2746 -8.2746 -0.5111 -0.5111 0.0677 0.0677 2.1736 2.1736 2.2963 2.2963 2.5236 2.5236 2.6159 2.6159 3.8806 3.8806 4.9827 4.9827 6.7855 6.7855 7.2890 7.2890 7.7221 7.7221 8.8162 8.8162 k = 0.0202 0.7845-0.0000 ( 5251 PWs) bands (ev): -9.7492 -9.7492 -9.7314 -9.7314 -9.2123 -9.2123 -9.2096 -9.2096 -9.1186 -9.1186 -9.1127 -9.1127 -8.3671 -8.3671 -8.3617 -8.3617 -8.3482 -8.3482 -8.3224 -8.3224 -8.2792 -8.2792 -8.2752 -8.2752 -0.5076 -0.5076 0.0634 0.0634 2.1891 2.1891 2.2850 2.2850 2.5224 2.5224 2.6112 2.6112 3.8822 3.8822 4.9791 4.9791 6.7853 6.7853 7.2913 7.2913 7.7256 7.7256 8.8222 8.8222 k = 0.0000 0.7845-0.0000 ( 5248 PWs) bands (ev): -9.7492 -9.7492 -9.7314 -9.7314 -9.2123 -9.2123 -9.2096 -9.2096 -9.1183 -9.1183 -9.1129 -9.1129 -8.3671 -8.3671 -8.3618 -8.3618 -8.3482 -8.3482 -8.3225 -8.3225 -8.2788 -8.2788 -8.2754 -8.2754 -0.5064 -0.5064 0.0620 0.0620 2.1954 2.1954 2.2802 2.2802 2.5220 2.5220 2.6097 2.6097 3.8827 3.8827 4.9779 4.9779 6.7853 6.7853 7.2921 7.2921 7.7267 7.7267 8.8242 8.8242 k = 0.0000 0.7845-0.0000 ( 5248 PWs) bands (ev): -9.7492 -9.7492 -9.7314 -9.7314 -9.2123 -9.2123 -9.2096 -9.2096 -9.1183 -9.1183 -9.1129 -9.1129 -8.3671 -8.3671 -8.3618 -8.3618 -8.3482 -8.3482 -8.3225 -8.3225 -8.2788 -8.2788 -8.2754 -8.2754 -0.5064 -0.5064 0.0620 0.0620 2.1954 2.1954 2.2802 2.2802 2.5220 2.5220 2.6097 2.6097 3.8827 3.8827 4.9779 4.9779 6.7853 6.7853 7.2921 7.2921 7.7267 7.7267 8.8242 8.8242 k = 0.0000 0.7845 0.0205 ( 5242 PWs) bands (ev): -9.7493 -9.7493 -9.7315 -9.7315 -9.2122 -9.2122 -9.2096 -9.2096 -9.1182 -9.1182 -9.1127 -9.1127 -8.3672 -8.3672 -8.3615 -8.3615 -8.3481 -8.3481 -8.3224 -8.3224 -8.2792 -8.2792 -8.2749 -8.2749 -0.5052 -0.5052 0.0630 0.0630 2.1875 2.1875 2.2835 2.2835 2.5142 2.5142 2.6160 2.6160 3.8826 3.8826 4.9711 4.9711 6.7883 6.7883 7.2958 7.2958 7.7336 7.7336 8.8013 8.8013 k = 0.0000 0.7845 0.0409 ( 5246 PWs) bands (ev): -9.7497 -9.7497 -9.7319 -9.7319 -9.2121 -9.2121 -9.2095 -9.2095 -9.1181 -9.1181 -9.1122 -9.1122 -8.3674 -8.3674 -8.3610 -8.3610 -8.3479 -8.3479 -8.3225 -8.3225 -8.2799 -8.2799 -8.2737 -8.2737 -0.5017 -0.5017 0.0661 0.0661 2.1670 2.1670 2.2901 2.2901 2.4952 2.4952 2.6305 2.6305 3.8822 3.8822 4.9510 4.9510 6.7974 6.7974 7.3066 7.3066 7.7538 7.7538 8.7506 8.7506 k = 0.0000 0.7845 0.0614 ( 5242 PWs) bands (ev): -9.7504 -9.7504 -9.7326 -9.7326 -9.2120 -9.2120 -9.2093 -9.2093 -9.1178 -9.1178 -9.1114 -9.1114 -8.3678 -8.3678 -8.3604 -8.3604 -8.3476 -8.3476 -8.3225 -8.3225 -8.2805 -8.2805 -8.2722 -8.2722 -0.4959 -0.4959 0.0713 0.0713 2.1385 2.1385 2.2955 2.2955 2.4710 2.4710 2.6478 2.6478 3.8813 3.8813 4.9183 4.9183 6.8129 6.8129 7.3242 7.3242 7.7866 7.7866 8.6919 8.6919 k = 0.0000 0.7845 0.0819 ( 5244 PWs) bands (ev): -9.7512 -9.7512 -9.7335 -9.7335 -9.2119 -9.2119 -9.2091 -9.2091 -9.1173 -9.1173 -9.1103 -9.1103 -8.3681 -8.3681 -8.3596 -8.3596 -8.3473 -8.3473 -8.3226 -8.3226 -8.2810 -8.2810 -8.2705 -8.2705 -0.4877 -0.4877 0.0786 0.0786 2.1043 2.1043 2.2962 2.2962 2.4453 2.4453 2.6653 2.6653 3.8797 3.8797 4.8742 4.8742 6.8351 6.8351 7.3480 7.3480 7.8306 7.8306 8.6331 8.6331 k = 0.0000 0.7845 0.1024 ( 5246 PWs) bands (ev): -9.7523 -9.7523 -9.7346 -9.7346 -9.2118 -9.2118 -9.2088 -9.2088 -9.1167 -9.1167 -9.1089 -9.1089 -8.3684 -8.3684 -8.3589 -8.3589 -8.3468 -8.3468 -8.3227 -8.3227 -8.2812 -8.2812 -8.2686 -8.2686 -0.4772 -0.4772 0.0879 0.0879 2.0658 2.0658 2.2896 2.2896 2.4212 2.4212 2.6821 2.6821 3.8771 3.8771 4.8198 4.8198 6.8643 6.8643 7.3773 7.3773 7.8840 7.8840 8.5772 8.5772 k = 0.0000 0.7845 0.1228 ( 5246 PWs) bands (ev): -9.7537 -9.7537 -9.7360 -9.7360 -9.2117 -9.2117 -9.2084 -9.2084 -9.1159 -9.1159 -9.1074 -9.1074 -8.3686 -8.3686 -8.3581 -8.3581 -8.3462 -8.3462 -8.3228 -8.3228 -8.2812 -8.2812 -8.2666 -8.2666 -0.4644 -0.4644 0.0993 0.0993 2.0238 2.0238 2.2730 2.2730 2.4018 2.4018 2.6975 2.6975 3.8731 3.8731 4.7569 4.7569 6.9005 6.9005 7.4115 7.4115 7.9448 7.9448 8.5257 8.5257 k = 0.0000 0.7845 0.1433 ( 5256 PWs) bands (ev): -9.7552 -9.7552 -9.7376 -9.7376 -9.2115 -9.2115 -9.2081 -9.2081 -9.1150 -9.1150 -9.1056 -9.1056 -8.3688 -8.3688 -8.3574 -8.3574 -8.3457 -8.3457 -8.3230 -8.3230 -8.2809 -8.2809 -8.2646 -8.2646 -0.4492 -0.4492 0.1127 0.1127 1.9788 1.9788 2.2459 2.2459 2.3880 2.3880 2.7112 2.7112 3.8676 3.8676 4.6869 4.6869 6.9436 6.9436 7.4501 7.4501 8.0107 8.0107 8.4796 8.4796 k = 0.0000 0.7845 0.1638 ( 5256 PWs) bands (ev): -9.7569 -9.7569 -9.7394 -9.7394 -9.2113 -9.2113 -9.2077 -9.2077 -9.1139 -9.1139 -9.1036 -9.1036 -8.3688 -8.3688 -8.3567 -8.3567 -8.3449 -8.3449 -8.3231 -8.3231 -8.2803 -8.2803 -8.2624 -8.2624 -0.4319 -0.4319 0.1281 0.1281 1.9316 1.9316 2.2102 2.2102 2.3784 2.3784 2.7229 2.7229 3.8603 3.8603 4.6114 4.6114 6.9934 6.9934 7.4924 7.4924 8.0793 8.0793 8.4401 8.4401 k = 0.0000 0.7845 0.1842 ( 5246 PWs) bands (ev): -9.7587 -9.7587 -9.7414 -9.7414 -9.2110 -9.2110 -9.2072 -9.2072 -9.1126 -9.1126 -9.1014 -9.1014 -8.3687 -8.3687 -8.3559 -8.3559 -8.3441 -8.3441 -8.3233 -8.3233 -8.2793 -8.2793 -8.2601 -8.2601 -0.4122 -0.4122 0.1455 0.1455 1.8823 1.8823 2.1687 2.1687 2.3707 2.3707 2.7324 2.7324 3.8509 3.8509 4.5320 4.5320 7.0494 7.0494 7.5377 7.5377 8.1476 8.1476 8.4086 8.4086 k = 0.0000 0.7845 0.2047 ( 5242 PWs) bands (ev): -9.7607 -9.7607 -9.7436 -9.7436 -9.2108 -9.2108 -9.2067 -9.2067 -9.1111 -9.1111 -9.0992 -9.0992 -8.3686 -8.3686 -8.3553 -8.3553 -8.3433 -8.3433 -8.3236 -8.3236 -8.2780 -8.2780 -8.2577 -8.2577 -0.3904 -0.3904 0.1648 0.1648 1.8316 1.8316 2.1234 2.1234 2.3633 2.3633 2.7392 2.7392 3.8395 3.8395 4.4501 4.4501 7.1111 7.1111 7.5851 7.5851 8.2113 8.2113 8.3883 8.3883 k = 0.0000 0.7845 0.2252 ( 5238 PWs) bands (ev): -9.7628 -9.7628 -9.7459 -9.7459 -9.2104 -9.2104 -9.2062 -9.2062 -9.1094 -9.1094 -9.0968 -9.0968 -8.3683 -8.3683 -8.3547 -8.3547 -8.3424 -8.3424 -8.3239 -8.3239 -8.2764 -8.2764 -8.2553 -8.2553 -0.3663 -0.3663 0.1861 0.1861 1.7797 1.7797 2.0755 2.0755 2.3554 2.3554 2.7432 2.7432 3.8261 3.8261 4.3671 4.3671 7.1778 7.1778 7.6335 7.6335 8.2613 8.2613 8.3870 8.3870 k = 0.0000 0.7845 0.2456 ( 5240 PWs) bands (ev): -9.7649 -9.7649 -9.7484 -9.7484 -9.2102 -9.2102 -9.2057 -9.2057 -9.1077 -9.1077 -9.0944 -9.0944 -8.3681 -8.3681 -8.3541 -8.3541 -8.3417 -8.3417 -8.3243 -8.3243 -8.2745 -8.2745 -8.2529 -8.2529 -0.3401 -0.3401 0.2092 0.2092 1.7270 1.7270 2.0261 2.0261 2.3465 2.3465 2.7441 2.7441 3.8107 3.8107 4.2841 4.2841 7.2489 7.2489 7.6816 7.6816 8.2876 8.2876 8.4140 8.4140 k = 0.0000 0.7845 0.2661 ( 5244 PWs) bands (ev): -9.7672 -9.7672 -9.7510 -9.7510 -9.2099 -9.2099 -9.2053 -9.2053 -9.1058 -9.1058 -9.0920 -9.0920 -8.3677 -8.3677 -8.3536 -8.3536 -8.3410 -8.3410 -8.3247 -8.3247 -8.2724 -8.2724 -8.2504 -8.2504 -0.3117 -0.3117 0.2341 0.2341 1.6739 1.6739 1.9758 1.9758 2.3362 2.3362 2.7414 2.7414 3.7936 3.7936 4.2024 4.2024 7.3237 7.3237 7.7280 7.7280 8.2992 8.2992 8.4597 8.4597 k = 0.0000 0.7845 0.2866 ( 5248 PWs) bands (ev): -9.7695 -9.7695 -9.7536 -9.7536 -9.2096 -9.2096 -9.2049 -9.2049 -9.1039 -9.1039 -9.0896 -9.0896 -8.3673 -8.3673 -8.3531 -8.3531 -8.3404 -8.3404 -8.3251 -8.3251 -8.2700 -8.2700 -8.2479 -8.2479 -0.2813 -0.2813 0.2608 0.2608 1.6204 1.6204 1.9251 1.9251 2.3243 2.3243 2.7349 2.7349 3.7749 3.7749 4.1232 4.1232 7.4013 7.4013 7.7713 7.7713 8.3112 8.3112 8.5083 8.5083 k = 0.0000 0.7845 0.3071 ( 5248 PWs) bands (ev): -9.7718 -9.7718 -9.7564 -9.7564 -9.2092 -9.2092 -9.2044 -9.2044 -9.1018 -9.1018 -9.0871 -9.0871 -8.3669 -8.3669 -8.3527 -8.3527 -8.3398 -8.3398 -8.3254 -8.3254 -8.2674 -8.2674 -8.2454 -8.2454 -0.2489 -0.2489 0.2893 0.2893 1.5671 1.5671 1.8744 1.8744 2.3108 2.3108 2.7240 2.7240 3.7551 3.7551 4.0476 4.0476 7.4809 7.4809 7.8104 7.8104 8.3297 8.3297 8.5532 8.5532 k = 0.0000 0.7845 0.3275 ( 5242 PWs) bands (ev): -9.7740 -9.7740 -9.7591 -9.7591 -9.2089 -9.2089 -9.2040 -9.2040 -9.0996 -9.0996 -9.0847 -9.0847 -8.3664 -8.3664 -8.3522 -8.3522 -8.3392 -8.3392 -8.3257 -8.3257 -8.2645 -8.2645 -8.2429 -8.2429 -0.2145 -0.2145 0.3193 0.3193 1.5139 1.5139 1.8240 1.8240 2.2956 2.2956 2.7086 2.7086 3.7343 3.7343 3.9764 3.9764 7.5616 7.5616 7.8449 7.8449 8.3562 8.3562 8.5920 8.5920 k = 0.0000 0.7845 0.3480 ( 5234 PWs) bands (ev): -9.7763 -9.7763 -9.7619 -9.7619 -9.2085 -9.2085 -9.2035 -9.2035 -9.0973 -9.0973 -9.0823 -9.0823 -8.3658 -8.3658 -8.3518 -8.3518 -8.3387 -8.3387 -8.3260 -8.3260 -8.2616 -8.2616 -8.2405 -8.2405 -0.1782 -0.1782 0.3509 0.3509 1.4613 1.4613 1.7743 1.7743 2.2786 2.2786 2.6883 2.6883 3.7129 3.7129 3.9107 3.9107 7.6419 7.6419 7.8756 7.8756 8.3902 8.3902 8.6237 8.6237 k = 0.0000 0.7845 0.3685 ( 5234 PWs) bands (ev): -9.7785 -9.7785 -9.7647 -9.7647 -9.2081 -9.2081 -9.2032 -9.2032 -9.0950 -9.0950 -9.0800 -9.0800 -8.3652 -8.3652 -8.3514 -8.3514 -8.3383 -8.3383 -8.3263 -8.3263 -8.2585 -8.2585 -8.2380 -8.2380 -0.1400 -0.1400 0.3840 0.3840 1.4092 1.4092 1.7255 1.7255 2.2599 2.2599 2.6629 2.6629 3.6912 3.6912 3.8511 3.8511 7.7200 7.7200 7.9044 7.9044 8.4299 8.4299 8.6482 8.6482 k = 0.0000 0.7845 0.3889 ( 5234 PWs) bands (ev): -9.7807 -9.7807 -9.7675 -9.7675 -9.2078 -9.2078 -9.2029 -9.2029 -9.0927 -9.0927 -9.0779 -9.0779 -8.3647 -8.3647 -8.3512 -8.3512 -8.3379 -8.3379 -8.3266 -8.3266 -8.2553 -8.2553 -8.2356 -8.2356 -0.1002 -0.1002 0.4185 0.4185 1.3578 1.3578 1.6777 1.6777 2.2397 2.2397 2.6325 2.6325 3.6695 3.6695 3.7981 3.7981 7.7922 7.7922 7.9352 7.9352 8.4727 8.4727 8.6664 8.6664 k = 0.0000 0.7845 0.4094 ( 5240 PWs) bands (ev): -9.7827 -9.7827 -9.7702 -9.7702 -9.2075 -9.2075 -9.2026 -9.2026 -9.0903 -9.0903 -9.0758 -9.0758 -8.3641 -8.3641 -8.3510 -8.3510 -8.3376 -8.3376 -8.3269 -8.3269 -8.2521 -8.2521 -8.2334 -8.2334 -0.0587 -0.0587 0.4542 0.4542 1.3074 1.3074 1.6311 1.6311 2.2181 2.2181 2.5972 2.5972 3.6480 3.6480 3.7520 3.7520 7.8523 7.8523 7.9748 7.9748 8.5156 8.5156 8.6799 8.6799 k = 0.0000 0.7845 0.4299 ( 5244 PWs) bands (ev): -9.7847 -9.7847 -9.7729 -9.7729 -9.2071 -9.2071 -9.2024 -9.2024 -9.0880 -9.0880 -9.0739 -9.0739 -8.3636 -8.3636 -8.3509 -8.3509 -8.3372 -8.3372 -8.3271 -8.3271 -8.2489 -8.2489 -8.2312 -8.2312 -0.0157 -0.0157 0.4909 0.4909 1.2579 1.2579 1.5858 1.5858 2.1953 2.1953 2.5575 2.5575 3.6272 3.6272 3.7125 3.7125 7.8952 7.8952 8.0281 8.0281 8.5546 8.5546 8.6916 8.6916 k = 0.0000 0.7845 0.4504 ( 5248 PWs) bands (ev): -9.7865 -9.7865 -9.7755 -9.7755 -9.2068 -9.2068 -9.2022 -9.2022 -9.0857 -9.0857 -9.0722 -9.0722 -8.3630 -8.3630 -8.3509 -8.3509 -8.3369 -8.3369 -8.3273 -8.3273 -8.2458 -8.2458 -8.2292 -8.2292 0.0287 0.0287 0.5286 0.5286 1.2095 1.2095 1.5417 1.5417 2.1718 2.1718 2.5142 2.5142 3.6074 3.6074 3.6793 3.6793 7.9251 7.9251 8.0907 8.0907 8.5847 8.5847 8.7063 8.7063 k = 0.0000 0.7845 0.4708 ( 5254 PWs) bands (ev): -9.7882 -9.7882 -9.7780 -9.7780 -9.2064 -9.2064 -9.2021 -9.2021 -9.0835 -9.0835 -9.0707 -9.0707 -8.3624 -8.3624 -8.3510 -8.3510 -8.3365 -8.3365 -8.3275 -8.3275 -8.2427 -8.2427 -8.2273 -8.2273 0.0744 0.0744 0.5669 0.5669 1.1622 1.1622 1.4989 1.4989 2.1479 2.1479 2.4680 2.4680 3.5892 3.5892 3.6515 3.6515 7.9488 7.9488 8.1546 8.1546 8.6022 8.6022 8.7281 8.7281 k = 0.0000 0.7845 0.4913 ( 5252 PWs) bands (ev): -9.7898 -9.7898 -9.7804 -9.7804 -9.2061 -9.2061 -9.2020 -9.2020 -9.0813 -9.0813 -9.0692 -9.0692 -8.3618 -8.3618 -8.3511 -8.3511 -8.3361 -8.3361 -8.3277 -8.3277 -8.2397 -8.2397 -8.2255 -8.2255 0.1212 0.1212 0.6055 0.6055 1.1163 1.1163 1.4573 1.4573 2.1242 2.1242 2.4200 2.4200 3.5729 3.5729 3.6282 3.6282 7.9703 7.9703 8.2145 8.2145 8.6095 8.6095 8.7556 8.7556 k = 0.0000 0.7845 0.5118 ( 5250 PWs) bands (ev): -9.7912 -9.7912 -9.7826 -9.7826 -9.2057 -9.2057 -9.2019 -9.2019 -9.0792 -9.0792 -9.0680 -9.0680 -8.3611 -8.3611 -8.3513 -8.3513 -8.3356 -8.3356 -8.3279 -8.3279 -8.2368 -8.2368 -8.2239 -8.2239 0.1690 0.1690 0.6438 0.6438 1.0720 1.0720 1.4167 1.4167 2.1013 2.1013 2.3712 2.3712 3.5589 3.5589 3.6085 3.6085 7.9913 7.9913 8.2660 8.2660 8.6134 8.6134 8.7845 8.7845 k = 0.0000 0.7845 0.5322 ( 5246 PWs) bands (ev): -9.7924 -9.7924 -9.7847 -9.7847 -9.2053 -9.2053 -9.2019 -9.2019 -9.0771 -9.0771 -9.0669 -9.0669 -8.3605 -8.3605 -8.3516 -8.3516 -8.3351 -8.3351 -8.3281 -8.3281 -8.2340 -8.2340 -8.2224 -8.2224 0.2175 0.2175 0.6810 0.6810 1.0300 1.0300 1.3770 1.3770 2.0799 2.0799 2.3225 2.3225 3.5474 3.5474 3.5918 3.5918 8.0127 8.0127 8.3050 8.3050 8.6205 8.6205 8.8113 8.8113 k = 0.0000 0.7845 0.5527 ( 5246 PWs) bands (ev): -9.7934 -9.7934 -9.7867 -9.7867 -9.2050 -9.2050 -9.2019 -9.2019 -9.0752 -9.0752 -9.0661 -9.0661 -8.3599 -8.3599 -8.3520 -8.3520 -8.3346 -8.3346 -8.3283 -8.3283 -8.2315 -8.2315 -8.2212 -8.2212 0.2665 0.2665 0.7154 0.7154 0.9916 0.9916 1.3379 1.3379 2.0606 2.0606 2.2750 2.2750 3.5381 3.5381 3.5776 3.5776 8.0348 8.0348 8.3282 8.3282 8.6355 8.6355 8.8341 8.8341 k = 0.0000 0.7845 0.5732 ( 5252 PWs) bands (ev): -9.7943 -9.7943 -9.7884 -9.7884 -9.2047 -9.2047 -9.2020 -9.2020 -9.0734 -9.0734 -9.0654 -9.0654 -8.3594 -8.3594 -8.3525 -8.3525 -8.3341 -8.3341 -8.3286 -8.3286 -8.2291 -8.2291 -8.2203 -8.2203 0.3160 0.3160 0.7434 0.7434 0.9602 0.9602 1.2994 1.2994 2.0442 2.0442 2.2296 2.2296 3.5311 3.5311 3.5654 3.5654 8.0579 8.0579 8.3352 8.3352 8.6596 8.6596 8.8517 8.8517 k = 0.0000 0.7845 0.5936 ( 5256 PWs) bands (ev): -9.7949 -9.7949 -9.7901 -9.7901 -9.2044 -9.2044 -9.2021 -9.2021 -9.0718 -9.0718 -9.0650 -9.0650 -8.3588 -8.3588 -8.3530 -8.3530 -8.3335 -8.3335 -8.3289 -8.3289 -8.2270 -8.2270 -8.2196 -8.2196 0.3656 0.3656 0.7581 0.7581 0.9422 0.9422 1.2611 1.2611 2.0313 2.0313 2.1871 2.1871 3.5261 3.5261 3.5550 3.5550 8.0820 8.0820 8.3290 8.3290 8.6902 8.6902 8.8638 8.8638 k = 0.0000 0.7845 0.6141 ( 5252 PWs) bands (ev): -9.7954 -9.7954 -9.7915 -9.7915 -9.2041 -9.2041 -9.2022 -9.2022 -9.0703 -9.0703 -9.0648 -9.0648 -8.3582 -8.3582 -8.3535 -8.3535 -8.3330 -8.3330 -8.3292 -8.3292 -8.2250 -8.2250 -8.2191 -8.2191 0.4150 0.4150 0.7520 0.7520 0.9448 0.9448 1.2228 1.2228 2.0228 2.0228 2.1483 2.1483 3.5228 3.5228 3.5462 3.5462 8.1071 8.1071 8.3137 8.3137 8.7236 8.7236 8.8700 8.8700 k = 0.0000 0.7845 0.6346 ( 5250 PWs) bands (ev): -9.7956 -9.7956 -9.7927 -9.7927 -9.2037 -9.2037 -9.2023 -9.2023 -9.0689 -9.0689 -9.0648 -9.0648 -8.3576 -8.3576 -8.3540 -8.3540 -8.3324 -8.3324 -8.3296 -8.3296 -8.2233 -8.2233 -8.2189 -8.2189 0.4641 0.4641 0.7273 0.7273 0.9656 0.9656 1.1845 1.1845 2.0191 2.0191 2.1138 2.1138 3.5211 3.5211 3.5388 3.5388 8.1331 8.1331 8.2927 8.2927 8.7566 8.7566 8.8702 8.8702 k = 0.0000 0.7845 0.6551 ( 5250 PWs) bands (ev): -9.7957 -9.7957 -9.7937 -9.7937 -9.2035 -9.2035 -9.2025 -9.2025 -9.0677 -9.0677 -9.0650 -9.0650 -8.3570 -8.3570 -8.3546 -8.3546 -8.3319 -8.3319 -8.3300 -8.3300 -8.2219 -8.2219 -8.2189 -8.2189 0.5126 0.5126 0.6917 0.6917 0.9964 0.9964 1.1461 1.1461 2.0207 2.0207 2.0841 2.0841 3.5209 3.5209 3.5327 3.5327 8.1599 8.1599 8.2683 8.2683 8.7872 8.7872 8.8646 8.8646 k = 0.0000 0.7845 0.6755 ( 5248 PWs) bands (ev): -9.7955 -9.7955 -9.7945 -9.7945 -9.2032 -9.2032 -9.2027 -9.2027 -9.0667 -9.0667 -9.0653 -9.0653 -8.3563 -8.3563 -8.3551 -8.3551 -8.3313 -8.3313 -8.3304 -8.3304 -8.2207 -8.2207 -8.2192 -8.2192 0.5602 0.5602 0.6506 0.6506 1.0319 1.0319 1.1076 1.1076 2.0280 2.0280 2.0598 2.0598 3.5220 3.5220 3.5279 3.5279 8.1872 8.1872 8.2419 8.2419 8.8140 8.8140 8.8531 8.8531 k = 0.0000 0.7845 0.6960 ( 5256 PWs) bands (ev): -9.7951 -9.7951 -9.7951 -9.7951 -9.2030 -9.2030 -9.2030 -9.2030 -9.0660 -9.0660 -9.0660 -9.0660 -8.3558 -8.3558 -8.3558 -8.3558 -8.3309 -8.3309 -8.3309 -8.3309 -8.2199 -8.2199 -8.2199 -8.2199 0.6064 0.6064 0.6064 0.6064 1.0693 1.0693 1.0693 1.0693 2.0410 2.0410 2.0410 2.0410 3.5243 3.5243 3.5243 3.5243 8.2147 8.2147 8.2147 8.2147 8.8362 8.8362 8.8362 8.8362 k = 0.0000 0.7845 0.6960 ( 5256 PWs) bands (ev): -9.7951 -9.7951 -9.7951 -9.7951 -9.2030 -9.2030 -9.2030 -9.2030 -9.0660 -9.0660 -9.0660 -9.0660 -8.3558 -8.3558 -8.3558 -8.3558 -8.3309 -8.3309 -8.3309 -8.3309 -8.2199 -8.2199 -8.2199 -8.2199 0.6064 0.6064 0.6064 0.6064 1.0693 1.0693 1.0693 1.0693 2.0410 2.0410 2.0410 2.0410 3.5243 3.5243 3.5243 3.5243 8.2147 8.2147 8.2147 8.2147 8.8362 8.8362 8.8362 8.8362 k = 0.0202 0.7845 0.6960 ( 5250 PWs) bands (ev): -9.7953 -9.7953 -9.7948 -9.7948 -9.2036 -9.2036 -9.2023 -9.2023 -9.0675 -9.0675 -9.0645 -9.0645 -8.3559 -8.3559 -8.3556 -8.3556 -8.3310 -8.3310 -8.3307 -8.3307 -8.2202 -8.2202 -8.2196 -8.2196 0.6056 0.6056 0.6077 0.6077 1.0649 1.0649 1.0690 1.0690 2.0364 2.0364 2.0513 2.0513 3.5186 3.5186 3.5307 3.5307 8.1885 8.1885 8.2267 8.2267 8.8290 8.8290 8.8602 8.8602 k = 0.0403 0.7845 0.6960 ( 5252 PWs) bands (ev): -9.7955 -9.7955 -9.7945 -9.7945 -9.2042 -9.2042 -9.2016 -9.2016 -9.0691 -9.0691 -9.0631 -9.0631 -8.3562 -8.3562 -8.3554 -8.3554 -8.3311 -8.3311 -8.3305 -8.3305 -8.2206 -8.2206 -8.2194 -8.2194 0.6054 0.6054 0.6095 0.6095 1.0560 1.0560 1.0638 1.0638 2.0375 2.0375 2.0669 2.0669 3.5137 3.5137 3.5379 3.5379 8.1516 8.1516 8.2231 8.2231 8.8401 8.8401 8.8976 8.8976 k = 0.0605 0.7845 0.6960 ( 5250 PWs) bands (ev): -9.7957 -9.7957 -9.7941 -9.7941 -9.2048 -9.2048 -9.2009 -9.2009 -9.0706 -9.0706 -9.0617 -9.0617 -8.3563 -8.3563 -8.3553 -8.3553 -8.3313 -8.3313 -8.3303 -8.3303 -8.2210 -8.2210 -8.2193 -8.2193 0.6057 0.6057 0.6117 0.6117 1.0431 1.0431 1.0544 1.0544 2.0439 2.0439 2.0873 2.0873 3.5096 3.5096 3.5457 3.5457 8.1076 8.1076 8.2054 8.2054 8.8677 8.8677 8.9446 8.9446 k = 0.0807 0.7845 0.6960 ( 5250 PWs) bands (ev): -9.7957 -9.7957 -9.7937 -9.7937 -9.2054 -9.2054 -9.2003 -9.2003 -9.0722 -9.0722 -9.0604 -9.0604 -8.3565 -8.3565 -8.3552 -8.3552 -8.3313 -8.3313 -8.3301 -8.3301 -8.2215 -8.2215 -8.2192 -8.2192 0.6062 0.6062 0.6141 0.6141 1.0273 1.0273 1.0415 1.0415 2.0548 2.0548 2.1116 2.1116 3.5065 3.5065 3.5543 3.5543 8.0596 8.0596 8.1770 8.1770 8.9082 8.9082 8.9978 8.9978 k = 0.1009 0.7845 0.6960 ( 5248 PWs) bands (ev): -9.7958 -9.7958 -9.7933 -9.7933 -9.2059 -9.2059 -9.1996 -9.1996 -9.0736 -9.0736 -9.0593 -9.0593 -8.3567 -8.3567 -8.3551 -8.3551 -8.3314 -8.3314 -8.3299 -8.3299 -8.2221 -8.2221 -8.2193 -8.2193 0.6068 0.6068 0.6164 0.6164 1.0095 1.0095 1.0261 1.0261 2.0694 2.0694 2.1386 2.1386 3.5045 3.5045 3.5637 3.5637 8.0099 8.0099 8.1417 8.1417 8.9573 8.9573 9.0546 9.0546 k = 0.1210 0.7845 0.6960 ( 5242 PWs) bands (ev): -9.7957 -9.7957 -9.7929 -9.7929 -9.2064 -9.2064 -9.1990 -9.1990 -9.0750 -9.0750 -9.0583 -9.0583 -8.3569 -8.3569 -8.3549 -8.3549 -8.3314 -8.3314 -8.3297 -8.3297 -8.2226 -8.2226 -8.2194 -8.2194 0.6070 0.6070 0.6181 0.6181 0.9909 0.9909 1.0094 1.0094 2.0867 2.0867 2.1674 2.1674 3.5039 3.5039 3.5740 3.5740 7.9601 7.9601 8.1025 8.1025 9.0114 9.0114 9.1127 9.1127 k = 0.1412 0.7845 0.6960 ( 5248 PWs) bands (ev): -9.7956 -9.7956 -9.7925 -9.7925 -9.2069 -9.2069 -9.1985 -9.1985 -9.0764 -9.0764 -9.0575 -9.0575 -8.3572 -8.3572 -8.3549 -8.3549 -8.3314 -8.3314 -8.3296 -8.3296 -8.2232 -8.2232 -8.2196 -8.2196 0.6064 0.6064 0.6188 0.6188 0.9727 0.9727 0.9929 0.9929 2.1056 2.1056 2.1970 2.1970 3.5047 3.5047 3.5852 3.5852 7.9114 7.9114 8.0618 8.0618 9.0674 9.0674 9.1703 9.1703 k = 0.1614 0.7845 0.6960 ( 5254 PWs) bands (ev): -9.7955 -9.7955 -9.7920 -9.7920 -9.2073 -9.2073 -9.1980 -9.1980 -9.0777 -9.0777 -9.0569 -9.0569 -8.3574 -8.3574 -8.3549 -8.3549 -8.3315 -8.3315 -8.3294 -8.3294 -8.2238 -8.2238 -8.2199 -8.2199 0.6045 0.6045 0.6177 0.6177 0.9559 0.9559 0.9778 0.9778 2.1251 2.1251 2.2262 2.2262 3.5072 3.5072 3.5972 3.5972 7.8647 7.8647 8.0212 8.0212 9.1227 9.1227 9.2256 9.2256 k = 0.1815 0.7845 0.6960 ( 5262 PWs) bands (ev): -9.7953 -9.7953 -9.7916 -9.7916 -9.2077 -9.2077 -9.1975 -9.1975 -9.0788 -9.0788 -9.0564 -9.0564 -8.3576 -8.3576 -8.3549 -8.3549 -8.3315 -8.3315 -8.3293 -8.3293 -8.2245 -8.2245 -8.2203 -8.2203 0.6007 0.6007 0.6144 0.6144 0.9417 0.9417 0.9655 0.9655 2.1445 2.1445 2.2543 2.2543 3.5115 3.5115 3.6102 3.6102 7.8208 7.8208 7.9819 7.9819 9.1752 9.1752 9.2771 9.2771 k = 0.2017 0.7845 0.6960 ( 5268 PWs) bands (ev): -9.7950 -9.7950 -9.7912 -9.7912 -9.2080 -9.2080 -9.1972 -9.1972 -9.0798 -9.0798 -9.0562 -9.0562 -8.3578 -8.3578 -8.3549 -8.3549 -8.3315 -8.3315 -8.3292 -8.3292 -8.2251 -8.2251 -8.2208 -8.2208 0.5947 0.5947 0.6081 0.6081 0.9310 0.9310 0.9571 0.9571 2.1630 2.1630 2.2805 2.2805 3.5178 3.5178 3.6240 3.6240 7.7804 7.7804 7.9450 7.9450 9.2227 9.2227 9.3230 9.3230 k = 0.2219 0.7845 0.6960 ( 5262 PWs) bands (ev): -9.7947 -9.7947 -9.7908 -9.7908 -9.2082 -9.2082 -9.1968 -9.1968 -9.0806 -9.0806 -9.0560 -9.0560 -8.3579 -8.3579 -8.3548 -8.3548 -8.3315 -8.3315 -8.3291 -8.3291 -8.2257 -8.2257 -8.2212 -8.2212 0.5860 0.5860 0.5987 0.5987 0.9245 0.9245 0.9532 0.9532 2.1800 2.1800 2.3041 2.3041 3.5259 3.5259 3.6384 3.6384 7.7439 7.7439 7.9109 7.9109 9.2633 9.2633 9.3619 9.3619 k = 0.2421 0.7845 0.6960 ( 5264 PWs) bands (ev): -9.7943 -9.7943 -9.7905 -9.7905 -9.2084 -9.2084 -9.1966 -9.1966 -9.0812 -9.0812 -9.0561 -9.0561 -8.3580 -8.3580 -8.3549 -8.3549 -8.3314 -8.3314 -8.3290 -8.3290 -8.2262 -8.2262 -8.2217 -8.2217 0.5747 0.5747 0.5862 0.5862 0.9225 0.9225 0.9542 0.9542 2.1950 2.1950 2.3246 2.3246 3.5358 3.5358 3.6531 3.6531 7.7119 7.7119 7.8805 7.8805 9.2953 9.2953 9.3923 9.3923 k = 0.2622 0.7845 0.6960 ( 5266 PWs) bands (ev): -9.7939 -9.7939 -9.7902 -9.7902 -9.2086 -9.2086 -9.1965 -9.1965 -9.0816 -9.0816 -9.0563 -9.0563 -8.3581 -8.3581 -8.3549 -8.3549 -8.3314 -8.3314 -8.3290 -8.3290 -8.2268 -8.2268 -8.2224 -8.2224 0.5611 0.5611 0.5709 0.5709 0.9249 0.9249 0.9600 0.9600 2.2078 2.2078 2.3418 2.3418 3.5472 3.5472 3.6679 3.6679 7.6849 7.6849 7.8542 7.8542 9.3172 9.3172 9.4130 9.4130 k = 0.2824 0.7845 0.6960 ( 5272 PWs) bands (ev): -9.7935 -9.7935 -9.7899 -9.7899 -9.2087 -9.2087 -9.1965 -9.1965 -9.0819 -9.0819 -9.0568 -9.0568 -8.3582 -8.3582 -8.3549 -8.3549 -8.3314 -8.3314 -8.3290 -8.3290 -8.2273 -8.2273 -8.2230 -8.2230 0.5457 0.5457 0.5536 0.5536 0.9313 0.9313 0.9702 0.9702 2.2180 2.2180 2.3555 2.3555 3.5598 3.5598 3.6823 3.6823 7.6634 7.6634 7.8326 7.8326 9.3282 9.3282 9.4233 9.4233 k = 0.2824 0.7845 0.6960 ( 5272 PWs) bands (ev): -9.7935 -9.7935 -9.7899 -9.7899 -9.2087 -9.2087 -9.1965 -9.1965 -9.0819 -9.0819 -9.0568 -9.0568 -8.3582 -8.3582 -8.3549 -8.3549 -8.3314 -8.3314 -8.3290 -8.3290 -8.2273 -8.2273 -8.2230 -8.2230 0.5457 0.5457 0.5536 0.5536 0.9313 0.9313 0.9702 0.9702 2.2180 2.2180 2.3555 2.3555 3.5598 3.5598 3.6823 3.6823 7.6634 7.6634 7.8326 7.8326 9.3282 9.3282 9.4233 9.4233 k = 0.2753 0.7649 0.6960 ( 5276 PWs) bands (ev): -9.7948 -9.7948 -9.7906 -9.7906 -9.2086 -9.2086 -9.1965 -9.1965 -9.0816 -9.0816 -9.0553 -9.0553 -8.3581 -8.3581 -8.3549 -8.3549 -8.3316 -8.3316 -8.3290 -8.3290 -8.2260 -8.2260 -8.2211 -8.2211 0.5918 0.5918 0.6084 0.6084 0.9100 0.9100 0.9340 0.9340 2.1920 2.1920 2.3200 2.3200 3.5209 3.5209 3.6401 3.6401 7.7201 7.7201 7.8908 7.8908 9.3117 9.3117 9.4078 9.4078 k = 0.2683 0.7453 0.6960 ( 5272 PWs) bands (ev): -9.7960 -9.7960 -9.7911 -9.7911 -9.2084 -9.2084 -9.1965 -9.1965 -9.0815 -9.0815 -9.0538 -9.0538 -8.3581 -8.3581 -8.3547 -8.3547 -8.3317 -8.3317 -8.3290 -8.3290 -8.2249 -8.2249 -8.2195 -8.2195 0.6286 0.6286 0.6615 0.6615 0.8997 0.8997 0.9001 0.9001 2.1695 2.1695 2.2866 2.2866 3.4839 3.4839 3.5995 3.5995 7.7760 7.7760 7.9484 7.9484 9.2950 9.2950 9.3919 9.3919 k = 0.2612 0.7257 0.6960 ( 5258 PWs) bands (ev): -9.7970 -9.7970 -9.7914 -9.7914 -9.2082 -9.2082 -9.1964 -9.1964 -9.0815 -9.0815 -9.0526 -9.0526 -8.3580 -8.3580 -8.3545 -8.3545 -8.3317 -8.3317 -8.3291 -8.3291 -8.2241 -8.2241 -8.2180 -8.2180 0.6508 0.6508 0.7109 0.7109 0.8701 0.8701 0.9052 0.9052 2.1512 2.1512 2.2560 2.2560 3.4489 3.4489 3.5606 3.5606 7.8310 7.8310 8.0048 8.0048 9.2782 9.2782 9.3757 9.3757 k = 0.2542 0.7060 0.6960 ( 5262 PWs) bands (ev): -9.7979 -9.7979 -9.7917 -9.7917 -9.2081 -9.2081 -9.1966 -9.1966 -9.0818 -9.0818 -9.0517 -9.0517 -8.3581 -8.3581 -8.3543 -8.3543 -8.3319 -8.3319 -8.3293 -8.3293 -8.2236 -8.2236 -8.2169 -8.2169 0.6560 0.6560 0.7495 0.7495 0.8501 0.8501 0.9281 0.9281 2.1377 2.1377 2.2287 2.2287 3.4160 3.4160 3.5234 3.5234 7.8848 7.8848 8.0598 8.0598 9.2614 9.2614 9.3595 9.3595 k = 0.2471 0.6864 0.6960 ( 5262 PWs) bands (ev): -9.7987 -9.7987 -9.7918 -9.7918 -9.2081 -9.2081 -9.1967 -9.1967 -9.0823 -9.0823 -9.0509 -9.0509 -8.3582 -8.3582 -8.3542 -8.3542 -8.3321 -8.3321 -8.3295 -8.3295 -8.2233 -8.2233 -8.2160 -8.2160 0.6476 0.6476 0.7583 0.7583 0.8588 0.8588 0.9647 0.9647 2.1298 2.1298 2.2053 2.2053 3.3854 3.3854 3.4880 3.4880 7.9369 7.9369 8.1131 8.1131 9.2447 9.2447 9.3433 9.3433 k = 0.2400 0.6668 0.6960 ( 5268 PWs) bands (ev): -9.7994 -9.7994 -9.7919 -9.7919 -9.2080 -9.2080 -9.1968 -9.1968 -9.0829 -9.0829 -9.0504 -9.0504 -8.3584 -8.3584 -8.3540 -8.3540 -8.3323 -8.3323 -8.3298 -8.3298 -8.2233 -8.2233 -8.2154 -8.2154 0.6308 0.6308 0.7389 0.7389 0.8940 0.8940 1.0092 1.0092 2.1279 2.1279 2.1863 2.1863 3.3571 3.3571 3.4545 3.4545 7.9871 7.9871 8.1641 8.1641 9.2282 9.2282 9.3271 9.3271 k = 0.2330 0.6472 0.6960 ( 5264 PWs) bands (ev): -9.7999 -9.7999 -9.7918 -9.7918 -9.2080 -9.2080 -9.1970 -9.1970 -9.0837 -9.0837 -9.0500 -9.0500 -8.3585 -8.3585 -8.3538 -8.3538 -8.3324 -8.3324 -8.3301 -8.3301 -8.2235 -8.2235 -8.2151 -8.2151 0.6092 0.6092 0.7105 0.7105 0.9359 0.9359 1.0574 1.0574 2.1324 2.1324 2.1721 2.1721 3.3314 3.3314 3.4232 3.4232 8.0350 8.0350 8.2126 8.2126 9.2119 9.2119 9.3109 9.3109 k = 0.2259 0.6276 0.6960 ( 5264 PWs) bands (ev): -9.8002 -9.8002 -9.7916 -9.7916 -9.2080 -9.2080 -9.1972 -9.1972 -9.0846 -9.0846 -9.0499 -9.0499 -8.3587 -8.3587 -8.3537 -8.3537 -8.3326 -8.3326 -8.3305 -8.3305 -8.2239 -8.2239 -8.2150 -8.2150 0.5848 0.5848 0.6793 0.6793 0.9781 0.9781 1.1068 1.1068 2.1435 2.1435 2.1629 2.1629 3.3086 3.3086 3.3942 3.3942 8.0802 8.0802 8.2579 8.2579 9.1959 9.1959 9.2946 9.2946 k = 0.2189 0.6080 0.6960 ( 5260 PWs) bands (ev): -9.8005 -9.8005 -9.7912 -9.7912 -9.2080 -9.2080 -9.1974 -9.1974 -9.0856 -9.0856 -9.0500 -9.0500 -8.3590 -8.3590 -8.3534 -8.3534 -8.3327 -8.3327 -8.3309 -8.3309 -8.2246 -8.2246 -8.2152 -8.2152 0.5586 0.5586 0.6469 0.6469 1.0190 1.0190 1.1559 1.1559 2.1591 2.1591 2.1610 2.1610 3.2890 3.2890 3.3678 3.3678 8.1222 8.1222 8.2997 8.2997 9.1801 9.1801 9.2783 9.2783 k = 0.2118 0.5884 0.6960 ( 5268 PWs) bands (ev): -9.8006 -9.8006 -9.7908 -9.7908 -9.2081 -9.2081 -9.1977 -9.1977 -9.0869 -9.0869 -9.0504 -9.0504 -8.3593 -8.3593 -8.3533 -8.3533 -8.3329 -8.3329 -8.3315 -8.3315 -8.2255 -8.2255 -8.2157 -8.2157 0.5312 0.5312 0.6135 0.6135 1.0581 1.0581 1.2038 1.2038 2.1604 2.1604 2.1847 2.1847 3.2729 3.2729 3.3442 3.3442 8.1607 8.1607 8.3373 8.3373 9.1645 9.1645 9.2618 9.2618 k = 0.2047 0.5688 0.6960 ( 5276 PWs) bands (ev): -9.8006 -9.8006 -9.7903 -9.7903 -9.2082 -9.2082 -9.1980 -9.1980 -9.0883 -9.0883 -9.0510 -9.0510 -8.3597 -8.3597 -8.3531 -8.3531 -8.3331 -8.3331 -8.3321 -8.3321 -8.2266 -8.2266 -8.2165 -8.2165 0.5029 0.5029 0.5795 0.5795 1.0956 1.0956 1.2502 1.2502 2.1666 2.1666 2.2138 2.2138 3.2608 3.2608 3.3238 3.3238 8.1952 8.1952 8.3702 8.3702 9.1492 9.1492 9.2451 9.2451 k = 0.1977 0.5491 0.6960 ( 5268 PWs) bands (ev): -9.8004 -9.8004 -9.7897 -9.7897 -9.2082 -9.2082 -9.1982 -9.1982 -9.0898 -9.0898 -9.0517 -9.0517 -8.3600 -8.3600 -8.3528 -8.3528 -8.3332 -8.3332 -8.3327 -8.3327 -8.2279 -8.2279 -8.2174 -8.2174 0.4738 0.4738 0.5450 0.5450 1.1316 1.1316 1.2949 1.2949 2.1772 2.1772 2.2474 2.2474 3.2532 3.2532 3.3071 3.3071 8.2250 8.2250 8.3978 8.3978 9.1340 9.1340 9.2279 9.2279 k = 0.1906 0.5295 0.6960 ( 5268 PWs) bands (ev): -9.8002 -9.8002 -9.7890 -9.7890 -9.2084 -9.2084 -9.1986 -9.1986 -9.0913 -9.0913 -9.0527 -9.0527 -8.3603 -8.3603 -8.3526 -8.3526 -8.3334 -8.3334 -8.3334 -8.3334 -8.2294 -8.2294 -8.2186 -8.2186 0.4440 0.4440 0.5100 0.5100 1.1665 1.1665 1.3378 1.3378 2.1912 2.1912 2.2845 2.2845 3.2506 3.2506 3.2947 3.2947 8.2498 8.2498 8.4194 8.4194 9.1187 9.1187 9.2102 9.2102 k = 0.1836 0.5099 0.6960 ( 5268 PWs) bands (ev): -9.7997 -9.7997 -9.7882 -9.7882 -9.2085 -9.2085 -9.1989 -9.1989 -9.0930 -9.0930 -9.0539 -9.0539 -8.3608 -8.3608 -8.3523 -8.3523 -8.3342 -8.3342 -8.3336 -8.3336 -8.2311 -8.2311 -8.2200 -8.2200 0.4138 0.4138 0.4746 0.4746 1.2007 1.2007 1.3791 1.3791 2.2079 2.2079 2.3237 2.3237 3.2535 3.2535 3.2872 3.2872 8.2689 8.2689 8.4345 8.4345 9.1033 9.1033 9.1918 9.1918 k = 0.1765 0.4903 0.6960 ( 5264 PWs) bands (ev): -9.7992 -9.7992 -9.7873 -9.7873 -9.2086 -9.2086 -9.1993 -9.1993 -9.0947 -9.0947 -9.0553 -9.0553 -8.3611 -8.3611 -8.3520 -8.3520 -8.3350 -8.3350 -8.3337 -8.3337 -8.2328 -8.2328 -8.2216 -8.2216 0.3831 0.3831 0.4391 0.4391 1.2345 1.2345 1.4191 1.4191 2.2261 2.2261 2.3638 2.3638 3.2624 3.2624 3.2853 3.2853 8.2818 8.2818 8.4425 8.4425 9.0875 9.0875 9.1725 9.1725 k = 0.1694 0.4707 0.6960 ( 5260 PWs) bands (ev): -9.7986 -9.7986 -9.7864 -9.7864 -9.2087 -9.2087 -9.1997 -9.1997 -9.0965 -9.0965 -9.0569 -9.0569 -8.3616 -8.3616 -8.3516 -8.3516 -8.3359 -8.3359 -8.3338 -8.3338 -8.2347 -8.2347 -8.2233 -8.2233 0.3523 0.3523 0.4036 0.4036 1.2681 1.2681 1.4580 1.4580 2.2448 2.2448 2.4032 2.4032 3.2777 3.2777 3.2897 3.2897 8.2880 8.2880 8.4430 8.4430 9.0709 9.0709 9.1521 9.1521 k = 0.1624 0.4511 0.6960 ( 5264 PWs) bands (ev): -9.7978 -9.7978 -9.7854 -9.7854 -9.2090 -9.2090 -9.2002 -9.2002 -9.0983 -9.0983 -9.0586 -9.0586 -8.3621 -8.3621 -8.3514 -8.3514 -8.3368 -8.3368 -8.3340 -8.3340 -8.2367 -8.2367 -8.2253 -8.2253 0.3213 0.3213 0.3682 0.3682 1.3018 1.3018 1.4961 1.4961 2.2631 2.2631 2.4407 2.4407 3.2997 3.2997 3.3012 3.3012 8.2870 8.2870 8.4356 8.4356 9.0534 9.0534 9.1306 9.1306 k = 0.1553 0.4315 0.6960 ( 5258 PWs) bands (ev): -9.7970 -9.7970 -9.7844 -9.7844 -9.2092 -9.2092 -9.2006 -9.2006 -9.1001 -9.1001 -9.0605 -9.0605 -8.3625 -8.3625 -8.3510 -8.3510 -8.3378 -8.3378 -8.3341 -8.3341 -8.2388 -8.2388 -8.2273 -8.2273 0.2904 0.2904 0.3331 0.3331 1.3357 1.3357 1.5337 1.5337 2.2803 2.2803 2.4751 2.4751 3.3203 3.3203 3.3283 3.3283 8.2786 8.2786 8.4203 8.4203 9.0345 9.0345 9.1078 9.1078 k = 0.1483 0.4119 0.6960 ( 5262 PWs) bands (ev): -9.7961 -9.7961 -9.7833 -9.7833 -9.2094 -9.2094 -9.2011 -9.2011 -9.1020 -9.1020 -9.0626 -9.0626 -8.3631 -8.3631 -8.3507 -8.3507 -8.3388 -8.3388 -8.3343 -8.3343 -8.2410 -8.2410 -8.2295 -8.2295 0.2597 0.2597 0.2985 0.2985 1.3698 1.3698 1.5707 1.5707 2.2961 2.2961 2.5056 2.5056 3.3472 3.3472 3.3634 3.3634 8.2625 8.2625 8.3970 8.3970 9.0140 9.0140 9.0837 9.0837 k = 0.1412 0.3922 0.6960 ( 5258 PWs) bands (ev): -9.7950 -9.7950 -9.7822 -9.7822 -9.2096 -9.2096 -9.2017 -9.2017 -9.1038 -9.1038 -9.0648 -9.0648 -8.3636 -8.3636 -8.3504 -8.3504 -8.3398 -8.3398 -8.3344 -8.3344 -8.2431 -8.2431 -8.2317 -8.2317 0.2293 0.2293 0.2646 0.2646 1.4041 1.4041 1.6073 1.6073 2.3102 2.3102 2.5319 2.5319 3.3818 3.3818 3.4046 3.4046 8.2387 8.2387 8.3658 8.3658 8.9920 8.9920 9.0585 9.0585 k = 0.1341 0.3726 0.6960 ( 5266 PWs) bands (ev): -9.7939 -9.7939 -9.7812 -9.7812 -9.2099 -9.2099 -9.2023 -9.2023 -9.1055 -9.1055 -9.0672 -9.0672 -8.3641 -8.3641 -8.3502 -8.3502 -8.3409 -8.3409 -8.3346 -8.3346 -8.2454 -8.2454 -8.2342 -8.2342 0.1996 0.1996 0.2314 0.2314 1.4386 1.4386 1.6433 1.6433 2.3229 2.3229 2.5538 2.5538 3.4236 3.4236 3.4512 3.4512 8.2074 8.2074 8.3271 8.3271 8.9686 8.9686 9.0322 9.0322 k = 0.1271 0.3530 0.6960 ( 5262 PWs) bands (ev): -9.7928 -9.7928 -9.7801 -9.7801 -9.2101 -9.2101 -9.2029 -9.2029 -9.1072 -9.1072 -9.0696 -9.0696 -8.3646 -8.3646 -8.3499 -8.3499 -8.3419 -8.3419 -8.3348 -8.3348 -8.2475 -8.2475 -8.2365 -8.2365 0.1705 0.1705 0.1993 0.1993 1.4730 1.4730 1.6784 1.6784 2.3345 2.3345 2.5719 2.5719 3.4717 3.4717 3.5025 3.5025 8.1690 8.1690 8.2814 8.2814 8.9439 8.9439 9.0052 9.0052 k = 0.1200 0.3334 0.6960 ( 5274 PWs) bands (ev): -9.7915 -9.7915 -9.7790 -9.7790 -9.2105 -9.2105 -9.2036 -9.2036 -9.1089 -9.1089 -9.0722 -9.0722 -8.3651 -8.3651 -8.3498 -8.3498 -8.3429 -8.3429 -8.3350 -8.3350 -8.2497 -8.2497 -8.2390 -8.2390 0.1422 0.1422 0.1682 0.1682 1.5072 1.5072 1.7124 1.7124 2.3456 2.3456 2.5867 2.5867 3.5251 3.5251 3.5575 3.5575 8.1241 8.1241 8.2294 8.2294 8.9183 8.9183 8.9777 8.9777 k = 0.1130 0.3138 0.6960 ( 5282 PWs) bands (ev): -9.7903 -9.7903 -9.7779 -9.7779 -9.2108 -9.2108 -9.2043 -9.2043 -9.1105 -9.1105 -9.0748 -9.0748 -8.3656 -8.3656 -8.3499 -8.3499 -8.3438 -8.3438 -8.3352 -8.3352 -8.2519 -8.2519 -8.2414 -8.2414 0.1150 0.1150 0.1383 0.1383 1.5410 1.5410 1.7448 1.7448 2.3567 2.3567 2.5989 2.5989 3.5825 3.5825 3.6153 3.6153 8.0736 8.0736 8.1721 8.1721 8.8923 8.8923 8.9498 8.9498 k = 0.1059 0.2942 0.6960 ( 5282 PWs) bands (ev): -9.7889 -9.7889 -9.7769 -9.7769 -9.2111 -9.2111 -9.2050 -9.2050 -9.1119 -9.1119 -9.0775 -9.0775 -8.3660 -8.3660 -8.3500 -8.3500 -8.3445 -8.3445 -8.3354 -8.3354 -8.2539 -8.2539 -8.2438 -8.2438 0.0888 0.0888 0.1097 0.1097 1.5741 1.5741 1.7752 1.7752 2.3685 2.3685 2.6092 2.6092 3.6427 3.6427 3.6751 3.6751 8.0185 8.0185 8.1105 8.1105 8.8661 8.8661 8.9220 8.9220 k = 0.0988 0.2746 0.6960 ( 5286 PWs) bands (ev): -9.7876 -9.7876 -9.7759 -9.7759 -9.2115 -9.2115 -9.2057 -9.2057 -9.1131 -9.1131 -9.0802 -9.0802 -8.3665 -8.3665 -8.3505 -8.3505 -8.3450 -8.3450 -8.3356 -8.3356 -8.2558 -8.2558 -8.2462 -8.2462 0.0639 0.0639 0.0826 0.0826 1.6063 1.6063 1.8031 1.8031 2.3816 2.3816 2.6182 2.6182 3.7046 3.7046 3.7359 3.7359 7.9600 7.9600 8.0457 8.0457 8.8401 8.8401 8.8944 8.8944 k = 0.0918 0.2550 0.6960 ( 5274 PWs) bands (ev): -9.7862 -9.7862 -9.7750 -9.7750 -9.2117 -9.2117 -9.2064 -9.2064 -9.1142 -9.1142 -9.0829 -9.0829 -8.3668 -8.3668 -8.3511 -8.3511 -8.3451 -8.3451 -8.3357 -8.3357 -8.2576 -8.2576 -8.2484 -8.2484 0.0403 0.0403 0.0570 0.0570 1.6373 1.6373 1.8281 1.8281 2.3964 2.3964 2.6265 2.6265 3.7671 3.7671 3.7968 3.7968 7.8994 7.8994 7.9789 7.9789 8.8147 8.8147 8.8671 8.8671 k = 0.0847 0.2353 0.6960 ( 5278 PWs) bands (ev): -9.7848 -9.7848 -9.7741 -9.7741 -9.2120 -9.2120 -9.2071 -9.2071 -9.1152 -9.1152 -9.0856 -9.0856 -8.3671 -8.3671 -8.3521 -8.3521 -8.3450 -8.3450 -8.3360 -8.3360 -8.2593 -8.2593 -8.2506 -8.2506 0.0181 0.0181 0.0329 0.0329 1.6669 1.6669 1.8497 1.8497 2.4133 2.4133 2.6342 2.6342 3.8291 3.8291 3.8570 3.8570 7.8377 7.8377 7.9113 7.9113 8.7900 8.7900 8.8404 8.8404 k = 0.0777 0.2157 0.6960 ( 5282 PWs) bands (ev): -9.7834 -9.7834 -9.7733 -9.7733 -9.2123 -9.2123 -9.2079 -9.2079 -9.1160 -9.1160 -9.0883 -9.0883 -8.3674 -8.3674 -8.3532 -8.3532 -8.3448 -8.3448 -8.3362 -8.3362 -8.2609 -8.2609 -8.2528 -8.2528 -0.0026 -0.0026 0.0106 0.0106 1.6949 1.6949 1.8678 1.8678 2.4323 2.4323 2.6417 2.6417 3.8898 3.8898 3.9156 3.9156 7.7764 7.7764 7.8441 7.8441 8.7663 8.7663 8.8144 8.8144 k = 0.0706 0.1961 0.6960 ( 5282 PWs) bands (ev): -9.7821 -9.7821 -9.7726 -9.7726 -9.2126 -9.2126 -9.2086 -9.2086 -9.1166 -9.1166 -9.0910 -9.0910 -8.3676 -8.3676 -8.3543 -8.3543 -8.3445 -8.3445 -8.3364 -8.3364 -8.2624 -8.2624 -8.2548 -8.2548 -0.0216 -0.0216 -0.0101 -0.0101 1.7212 1.7212 1.8823 1.8823 2.4534 2.4534 2.6490 2.6490 3.9484 3.9484 3.9719 3.9719 7.7165 7.7165 7.7783 7.7783 8.7439 8.7439 8.7894 8.7894 k = 0.0635 0.1765 0.6960 ( 5294 PWs) bands (ev): -9.7808 -9.7808 -9.7720 -9.7720 -9.2129 -9.2129 -9.2093 -9.2093 -9.1171 -9.1171 -9.0936 -9.0936 -8.3678 -8.3678 -8.3556 -8.3556 -8.3442 -8.3442 -8.3367 -8.3367 -8.2637 -8.2637 -8.2568 -8.2568 -0.0390 -0.0390 -0.0290 -0.0290 1.7456 1.7456 1.8934 1.8934 2.4761 2.4761 2.6561 2.6561 4.0040 4.0040 4.0253 4.0253 7.6591 7.6591 7.7152 7.7152 8.7229 8.7229 8.7654 8.7654 k = 0.0565 0.1569 0.6960 ( 5286 PWs) bands (ev): -9.7795 -9.7795 -9.7715 -9.7715 -9.2131 -9.2131 -9.2099 -9.2099 -9.1173 -9.1173 -9.0962 -9.0962 -8.3678 -8.3678 -8.3568 -8.3568 -8.3437 -8.3437 -8.3370 -8.3370 -8.2648 -8.2648 -8.2586 -8.2586 -0.0547 -0.0547 -0.0460 -0.0460 1.7681 1.7681 1.9013 1.9013 2.5001 2.5001 2.6627 2.6627 4.0559 4.0559 4.0749 4.0749 7.6052 7.6052 7.6555 7.6555 8.7036 8.7036 8.7427 8.7427 k = 0.0494 0.1373 0.6960 ( 5298 PWs) bands (ev): -9.7782 -9.7782 -9.7712 -9.7712 -9.2133 -9.2133 -9.2106 -9.2106 -9.1174 -9.1174 -9.0987 -9.0987 -8.3678 -8.3678 -8.3581 -8.3581 -8.3433 -8.3433 -8.3373 -8.3373 -8.2658 -8.2658 -8.2603 -8.2603 -0.0686 -0.0686 -0.0612 -0.0612 1.7887 1.7887 1.9063 1.9063 2.5245 2.5245 2.6685 2.6685 4.1035 4.1035 4.1201 4.1201 7.5559 7.5559 7.6003 7.6003 8.6862 8.6862 8.7215 8.7215 k = 0.0424 0.1177 0.6960 ( 5294 PWs) bands (ev): -9.7771 -9.7771 -9.7709 -9.7709 -9.2135 -9.2135 -9.2111 -9.2111 -9.1173 -9.1173 -9.1010 -9.1010 -8.3676 -8.3676 -8.3592 -8.3592 -8.3428 -8.3428 -8.3376 -8.3376 -8.2666 -8.2666 -8.2618 -8.2618 -0.0807 -0.0807 -0.0745 -0.0745 1.8074 1.8074 1.9087 1.9087 2.5488 2.5488 2.6733 2.6733 4.1462 4.1462 4.1604 4.1604 7.5118 7.5118 7.5502 7.5502 8.6710 8.6710 8.7021 8.7021 k = 0.0353 0.0981 0.6960 ( 5290 PWs) bands (ev): -9.7760 -9.7760 -9.7708 -9.7708 -9.2135 -9.2135 -9.2116 -9.2116 -9.1169 -9.1169 -9.1033 -9.1033 -8.3674 -8.3674 -8.3603 -8.3603 -8.3423 -8.3423 -8.3380 -8.3380 -8.2672 -8.2672 -8.2632 -8.2632 -0.0909 -0.0909 -0.0858 -0.0858 1.8243 1.8243 1.9089 1.9089 2.5723 2.5723 2.6766 2.6766 4.1835 4.1835 4.1953 4.1953 7.4738 7.4738 7.5061 7.5061 8.6581 8.6581 8.6847 8.6847 k = 0.0282 0.0784 0.6960 ( 5296 PWs) bands (ev): -9.7750 -9.7750 -9.7707 -9.7707 -9.2136 -9.2136 -9.2121 -9.2121 -9.1164 -9.1164 -9.1054 -9.1054 -8.3671 -8.3671 -8.3613 -8.3613 -8.3419 -8.3419 -8.3384 -8.3384 -8.2676 -8.2676 -8.2644 -8.2644 -0.0993 -0.0993 -0.0952 -0.0952 1.8394 1.8394 1.9072 1.9072 2.5943 2.5943 2.6781 2.6781 4.2148 4.2148 4.2243 4.2243 7.4424 7.4424 7.4685 7.4685 8.6478 8.6478 8.6695 8.6695 k = 0.0212 0.0588 0.6960 ( 5296 PWs) bands (ev): -9.7740 -9.7740 -9.7708 -9.7708 -9.2136 -9.2136 -9.2125 -9.2125 -9.1157 -9.1157 -9.1074 -9.1074 -8.3667 -8.3667 -8.3623 -8.3623 -8.3414 -8.3414 -8.3388 -8.3388 -8.2679 -8.2679 -8.2655 -8.2655 -0.1057 -0.1057 -0.1027 -0.1027 1.8529 1.8529 1.9037 1.9037 2.6144 2.6144 2.6774 2.6774 4.2399 4.2399 4.2470 4.2470 7.4183 7.4183 7.4380 7.4380 8.6403 8.6403 8.6568 8.6568 k = 0.0141 0.0392 0.6960 ( 5296 PWs) bands (ev): -9.7732 -9.7732 -9.7710 -9.7710 -9.2136 -9.2136 -9.2129 -9.2129 -9.1148 -9.1148 -9.1092 -9.1092 -8.3662 -8.3662 -8.3633 -8.3633 -8.3410 -8.3410 -8.3392 -8.3392 -8.2679 -8.2679 -8.2663 -8.2663 -0.1101 -0.1101 -0.1081 -0.1081 1.8649 1.8649 1.8987 1.8987 2.6320 2.6320 2.6741 2.6741 4.2583 4.2583 4.2631 4.2631 7.4017 7.4017 7.4149 7.4149 8.6356 8.6356 8.6467 8.6467 k = 0.0071 0.0196 0.6960 ( 5300 PWs) bands (ev): -9.7725 -9.7725 -9.7714 -9.7714 -9.2135 -9.2135 -9.2131 -9.2131 -9.1137 -9.1137 -9.1109 -9.1109 -8.3656 -8.3656 -8.3642 -8.3642 -8.3405 -8.3405 -8.3396 -8.3396 -8.2678 -8.2678 -8.2670 -8.2670 -0.1126 -0.1126 -0.1116 -0.1116 1.8754 1.8754 1.8923 1.8923 2.6470 2.6470 2.6680 2.6680 4.2700 4.2700 4.2723 4.2723 7.3930 7.3930 7.3996 7.3996 8.6338 8.6338 8.6394 8.6394 k = 0.0000 0.0000 0.6960 ( 5312 PWs) bands (ev): -9.7719 -9.7719 -9.7719 -9.7719 -9.2134 -9.2134 -9.2134 -9.2134 -9.1124 -9.1124 -9.1124 -9.1124 -8.3650 -8.3650 -8.3650 -8.3650 -8.3401 -8.3401 -8.3401 -8.3401 -8.2675 -8.2675 -8.2675 -8.2675 -0.1131 -0.1131 -0.1131 -0.1131 1.8845 1.8845 1.8845 1.8845 2.6590 2.6590 2.6590 2.6590 4.2747 4.2747 4.2747 4.2747 7.3922 7.3922 7.3922 7.3922 8.6351 8.6351 8.6351 8.6351 k = 0.0000 0.0000 0.6960 ( 5312 PWs) bands (ev): -9.7719 -9.7719 -9.7719 -9.7719 -9.2134 -9.2134 -9.2134 -9.2134 -9.1124 -9.1124 -9.1124 -9.1124 -8.3650 -8.3650 -8.3650 -8.3650 -8.3401 -8.3401 -8.3401 -8.3401 -8.2675 -8.2675 -8.2675 -8.2675 -0.1131 -0.1131 -0.1131 -0.1131 1.8845 1.8845 1.8845 1.8845 2.6590 2.6590 2.6590 2.6590 4.2747 4.2747 4.2747 4.2747 7.3922 7.3922 7.3922 7.3922 8.6351 8.6351 8.6351 8.6351 k = 0.0000 0.0000 0.6755 ( 5308 PWs) bands (ev): -9.7763 -9.7763 -9.7678 -9.7678 -9.2135 -9.2135 -9.2133 -9.2133 -9.1170 -9.1170 -9.1078 -9.1078 -8.3652 -8.3652 -8.3648 -8.3648 -8.3408 -8.3408 -8.3394 -8.3394 -8.2710 -8.2710 -8.2640 -8.2640 -0.1206 -0.1206 -0.1027 -0.1027 1.8502 1.8502 1.9174 1.9174 2.6392 2.6392 2.6778 2.6778 4.2489 4.2489 4.2968 4.2968 7.3706 7.3706 7.4215 7.4215 8.6029 8.6029 8.6722 8.6722 k = 0.0000 0.0000 0.6551 ( 5310 PWs) bands (ev): -9.7810 -9.7810 -9.7641 -9.7641 -9.2137 -9.2137 -9.2132 -9.2132 -9.1215 -9.1215 -9.1031 -9.1031 -8.3655 -8.3655 -8.3646 -8.3646 -8.3415 -8.3415 -8.3387 -8.3387 -8.2743 -8.2743 -8.2603 -8.2603 -0.1252 -0.1252 -0.0894 -0.0894 1.8148 1.8148 1.9487 1.9487 2.6185 2.6185 2.6954 2.6954 4.2196 4.2196 4.3155 4.3155 7.3566 7.3566 7.4582 7.4582 8.5757 8.5757 8.7141 8.7141 k = 0.0000 0.0000 0.6346 ( 5300 PWs) bands (ev): -9.7859 -9.7859 -9.7607 -9.7607 -9.2138 -9.2138 -9.2130 -9.2130 -9.1259 -9.1259 -9.0983 -9.0983 -8.3656 -8.3656 -8.3643 -8.3643 -8.3421 -8.3421 -8.3380 -8.3380 -8.2775 -8.2775 -8.2565 -8.2565 -0.1269 -0.1269 -0.0733 -0.0733 1.7785 1.7785 1.9781 1.9781 2.5970 2.5970 2.7118 2.7118 4.1870 4.1870 4.3307 4.3307 7.3504 7.3504 7.5020 7.5020 8.5535 8.5535 8.7607 8.7607 k = 0.0000 0.0000 0.6141 ( 5298 PWs) bands (ev): -9.7912 -9.7912 -9.7575 -9.7575 -9.2139 -9.2139 -9.2128 -9.2128 -9.1301 -9.1301 -9.0935 -9.0935 -8.3659 -8.3659 -8.3642 -8.3642 -8.3428 -8.3428 -8.3373 -8.3373 -8.2806 -8.2806 -8.2526 -8.2526 -0.1257 -0.1257 -0.0544 -0.0544 1.7415 1.7415 2.0052 2.0052 2.5749 2.5749 2.7268 2.7268 4.1510 4.1510 4.3426 4.3426 7.3519 7.3519 7.5527 7.5527 8.5363 8.5363 8.8118 8.8118 k = 0.0000 0.0000 0.5936 ( 5282 PWs) bands (ev): -9.7967 -9.7967 -9.7547 -9.7547 -9.2139 -9.2139 -9.2126 -9.2126 -9.1342 -9.1342 -9.0887 -9.0887 -8.3660 -8.3660 -8.3640 -8.3640 -8.3434 -8.3434 -8.3366 -8.3366 -8.2835 -8.2835 -8.2486 -8.2486 -0.1215 -0.1215 -0.0328 -0.0328 1.7041 1.7041 2.0299 2.0299 2.5523 2.5523 2.7404 2.7404 4.1120 4.1120 4.3515 4.3515 7.3609 7.3609 7.6099 7.6099 8.5243 8.5243 8.8673 8.8673 k = 0.0000 0.0000 0.5732 ( 5280 PWs) bands (ev): -9.8024 -9.8024 -9.7523 -9.7523 -9.2140 -9.2140 -9.2125 -9.2125 -9.1382 -9.1382 -9.0839 -9.0839 -8.3662 -8.3662 -8.3638 -8.3638 -8.3441 -8.3441 -8.3359 -8.3359 -8.2863 -8.2863 -8.2446 -8.2446 -0.1143 -0.1143 -0.0085 -0.0085 1.6664 1.6664 2.0518 2.0518 2.5294 2.5294 2.7525 2.7525 4.0701 4.0701 4.3577 4.3577 7.3774 7.3774 7.6733 7.6733 8.5174 8.5174 8.9270 8.9270 k = 0.0000 0.0000 0.5527 ( 5278 PWs) bands (ev): -9.8084 -9.8084 -9.7501 -9.7501 -9.2141 -9.2141 -9.2124 -9.2124 -9.1421 -9.1421 -9.0792 -9.0792 -8.3664 -8.3664 -8.3636 -8.3636 -8.3447 -8.3447 -8.3352 -8.3352 -8.2889 -8.2889 -8.2406 -8.2406 -0.1043 -0.1043 0.0183 0.0183 1.6286 1.6286 2.0707 2.0707 2.5064 2.5064 2.7630 2.7630 4.0255 4.0255 4.3615 4.3615 7.4011 7.4011 7.7425 7.7425 8.5157 8.5157 8.9906 8.9906 k = 0.0000 0.0000 0.5322 ( 5282 PWs) bands (ev): -9.8146 -9.8146 -9.7482 -9.7482 -9.2142 -9.2142 -9.2123 -9.2123 -9.1458 -9.1458 -9.0746 -9.0746 -8.3667 -8.3667 -8.3635 -8.3635 -8.3454 -8.3454 -8.3346 -8.3346 -8.2914 -8.2914 -8.2366 -8.2366 -0.0914 -0.0914 0.0476 0.0476 1.5910 1.5910 2.0862 2.0862 2.4834 2.4834 2.7718 2.7718 3.9786 3.9786 4.3633 4.3633 7.4317 7.4317 7.8169 7.8169 8.5192 8.5192 9.0581 9.0581 k = 0.0000 0.0000 0.5118 ( 5278 PWs) bands (ev): -9.8209 -9.8209 -9.7466 -9.7466 -9.2142 -9.2142 -9.2121 -9.2121 -9.1494 -9.1494 -9.0700 -9.0700 -8.3669 -8.3669 -8.3634 -8.3634 -8.3461 -8.3461 -8.3339 -8.3339 -8.2938 -8.2938 -8.2326 -8.2326 -0.0756 -0.0756 0.0794 0.0794 1.5536 1.5536 2.0981 2.0981 2.4607 2.4607 2.7791 2.7791 3.9296 3.9296 4.3635 4.3635 7.4688 7.4688 7.8961 7.8961 8.5279 8.5279 9.1290 9.1290 k = 0.0000 0.0000 0.4913 ( 5260 PWs) bands (ev): -9.8274 -9.8274 -9.7453 -9.7453 -9.2143 -9.2143 -9.2119 -9.2119 -9.1528 -9.1528 -9.0654 -9.0654 -8.3670 -8.3670 -8.3632 -8.3632 -8.3467 -8.3467 -8.3331 -8.3331 -8.2959 -8.2959 -8.2285 -8.2285 -0.0571 -0.0571 0.1134 0.1134 1.5166 1.5166 2.1062 2.1062 2.4383 2.4383 2.7846 2.7846 3.8786 3.8786 4.3625 4.3625 7.5122 7.5122 7.9795 7.9795 8.5419 8.5419 9.2030 9.2030 k = 0.0000 0.0000 0.4708 ( 5278 PWs) bands (ev): -9.8339 -9.8339 -9.7442 -9.7442 -9.2144 -9.2144 -9.2119 -9.2119 -9.1561 -9.1561 -9.0611 -9.0611 -8.3673 -8.3673 -8.3632 -8.3632 -8.3474 -8.3474 -8.3326 -8.3326 -8.2981 -8.2981 -8.2246 -8.2246 -0.0358 -0.0358 0.1496 0.1496 1.4803 1.4803 2.1102 2.1102 2.4164 2.4164 2.7884 2.7884 3.8261 3.8261 4.3607 4.3607 7.5614 7.5614 8.0662 8.0662 8.5616 8.5616 9.2796 9.2796 k = 0.0000 0.0000 0.4504 ( 5278 PWs) bands (ev): -9.8406 -9.8406 -9.7433 -9.7433 -9.2145 -9.2145 -9.2117 -9.2117 -9.1591 -9.1591 -9.0568 -9.0568 -8.3675 -8.3675 -8.3632 -8.3632 -8.3481 -8.3481 -8.3320 -8.3320 -8.3000 -8.3000 -8.2206 -8.2206 -0.0118 -0.0118 0.1879 0.1879 1.4446 1.4446 2.1101 2.1101 2.3952 2.3952 2.7906 2.7906 3.7721 3.7721 4.3584 4.3584 7.6161 7.6161 8.1554 8.1554 8.5872 8.5872 9.3581 9.3581 k = 0.0000 0.0000 0.4299 ( 5270 PWs) bands (ev): -9.8472 -9.8472 -9.7427 -9.7427 -9.2146 -9.2146 -9.2115 -9.2115 -9.1620 -9.1620 -9.0527 -9.0527 -8.3676 -8.3676 -8.3631 -8.3631 -8.3487 -8.3487 -8.3314 -8.3314 -8.3017 -8.3017 -8.2166 -8.2166 0.0148 0.0148 0.2281 0.2281 1.4097 1.4097 2.1058 2.1058 2.3746 2.3746 2.7912 2.7912 3.7171 3.7171 4.3561 4.3561 7.6759 7.6759 8.2456 8.2456 8.6198 8.6198 9.4372 9.4372 k = 0.0000 0.0000 0.4094 ( 5268 PWs) bands (ev): -9.8539 -9.8539 -9.7422 -9.7422 -9.2146 -9.2146 -9.2114 -9.2114 -9.1648 -9.1648 -9.0486 -9.0486 -8.3677 -8.3677 -8.3630 -8.3630 -8.3494 -8.3494 -8.3308 -8.3308 -8.3034 -8.3034 -8.2127 -8.2127 0.0439 0.0439 0.2700 0.2700 1.3758 1.3758 2.0974 2.0974 2.3546 2.3546 2.7902 2.7902 3.6612 3.6612 4.3538 4.3538 7.7404 7.7404 8.3347 8.3347 8.6607 8.6607 9.5135 9.5135 k = 0.0000 0.0000 0.3889 ( 5264 PWs) bands (ev): -9.8605 -9.8605 -9.7420 -9.7420 -9.2147 -9.2147 -9.2112 -9.2112 -9.1674 -9.1674 -9.0448 -9.0448 -8.3678 -8.3678 -8.3630 -8.3630 -8.3500 -8.3500 -8.3303 -8.3303 -8.3048 -8.3048 -8.2089 -8.2089 0.0754 0.0754 0.3136 0.3136 1.3430 1.3430 2.0850 2.0850 2.3352 2.3352 2.7878 2.7878 3.6047 3.6047 4.3520 4.3520 7.8093 7.8093 8.4201 8.4201 8.7121 8.7121 9.5776 9.5776 k = 0.0000 0.0000 0.3685 ( 5264 PWs) bands (ev): -9.8671 -9.8671 -9.7419 -9.7419 -9.2147 -9.2147 -9.2111 -9.2111 -9.1698 -9.1698 -9.0411 -9.0411 -8.3679 -8.3679 -8.3629 -8.3629 -8.3507 -8.3507 -8.3298 -8.3298 -8.3062 -8.3062 -8.2052 -8.2052 0.1092 0.1092 0.3586 0.3586 1.3112 1.3112 2.0690 2.0690 2.3161 2.3161 2.7839 2.7839 3.5479 3.5479 4.3506 4.3506 7.8821 7.8821 8.4984 8.4984 8.7764 8.7764 9.6076 9.6076 k = 0.0000 0.0000 0.3480 ( 5264 PWs) bands (ev): -9.8735 -9.8735 -9.7419 -9.7419 -9.2148 -9.2148 -9.2109 -9.2109 -9.1721 -9.1721 -9.0375 -9.0375 -8.3680 -8.3680 -8.3629 -8.3629 -8.3513 -8.3513 -8.3293 -8.3293 -8.3074 -8.3074 -8.2016 -8.2016 0.1451 0.1451 0.4049 0.4049 1.2807 1.2807 2.0497 2.0497 2.2973 2.2973 2.7788 2.7788 3.4911 3.4911 4.3498 4.3498 7.9585 7.9585 8.5677 8.5677 8.8548 8.8548 9.5972 9.5972 k = 0.0000 0.0000 0.3275 ( 5264 PWs) bands (ev): -9.8798 -9.8798 -9.7420 -9.7420 -9.2149 -9.2149 -9.2108 -9.2108 -9.1742 -9.1742 -9.0342 -9.0342 -8.3681 -8.3681 -8.3629 -8.3629 -8.3519 -8.3519 -8.3289 -8.3289 -8.3085 -8.3085 -8.1981 -8.1981 0.1830 0.1830 0.4521 0.4521 1.2515 1.2515 2.0272 2.0272 2.2786 2.2786 2.7723 2.7723 3.4346 3.4346 4.3497 4.3497 8.0382 8.0382 8.6286 8.6286 8.9461 8.9461 9.5687 9.5687 k = 0.0000 0.0000 0.3071 ( 5256 PWs) bands (ev): -9.8860 -9.8860 -9.7423 -9.7423 -9.2149 -9.2149 -9.2106 -9.2106 -9.1761 -9.1761 -9.0310 -9.0310 -8.3681 -8.3681 -8.3629 -8.3629 -8.3525 -8.3525 -8.3284 -8.3284 -8.3095 -8.3095 -8.1948 -8.1948 0.2228 0.2228 0.5001 0.5001 1.2237 1.2237 2.0020 2.0020 2.2601 2.2601 2.7647 2.7647 3.3788 3.3788 4.3501 4.3501 8.1208 8.1208 8.6831 8.6831 9.0471 9.0471 9.5350 9.5350 k = 0.0000 0.0000 0.2866 ( 5246 PWs) bands (ev): -9.8918 -9.8918 -9.7426 -9.7426 -9.2148 -9.2148 -9.2105 -9.2105 -9.1778 -9.1778 -9.0280 -9.0280 -8.3681 -8.3681 -8.3629 -8.3629 -8.3530 -8.3530 -8.3281 -8.3281 -8.3103 -8.3103 -8.1916 -8.1916 0.2642 0.2642 0.5486 0.5486 1.1973 1.1973 1.9743 1.9743 2.2417 2.2417 2.7559 2.7559 3.3240 3.3240 4.3512 4.3512 8.2059 8.2059 8.7335 8.7335 9.1540 9.1540 9.5009 9.5009 k = 0.0000 0.0000 0.2661 ( 5248 PWs) bands (ev): -9.8975 -9.8975 -9.7430 -9.7430 -9.2149 -9.2149 -9.2103 -9.2103 -9.1795 -9.1795 -9.0253 -9.0253 -8.3681 -8.3681 -8.3629 -8.3629 -8.3535 -8.3535 -8.3278 -8.3278 -8.3111 -8.3111 -8.1886 -8.1886 0.3070 0.3070 0.5972 0.5972 1.1724 1.1724 1.9442 1.9442 2.2238 2.2238 2.7460 2.7460 3.2708 3.2708 4.3529 4.3529 8.2931 8.2931 8.7812 8.7812 9.2620 9.2620 9.4709 9.4709 k = 0.0000 0.0000 0.2456 ( 5248 PWs) bands (ev): -9.9029 -9.9029 -9.7434 -9.7434 -9.2149 -9.2149 -9.2102 -9.2102 -9.1810 -9.1810 -9.0227 -9.0227 -8.3681 -8.3681 -8.3630 -8.3630 -8.3541 -8.3541 -8.3276 -8.3276 -8.3117 -8.3117 -8.1857 -8.1857 0.3510 0.3510 0.6456 0.6456 1.1491 1.1491 1.9122 1.9122 2.2063 2.2063 2.7349 2.7349 3.2196 3.2196 4.3549 4.3549 8.3819 8.3819 8.8268 8.8268 9.3524 9.3524 9.4626 9.4626 k = 0.0000 0.0000 0.2252 ( 5238 PWs) bands (ev): -9.9079 -9.9079 -9.7439 -9.7439 -9.2147 -9.2147 -9.2101 -9.2101 -9.1823 -9.1823 -9.0204 -9.0204 -8.3680 -8.3680 -8.3630 -8.3630 -8.3544 -8.3544 -8.3273 -8.3273 -8.3122 -8.3122 -8.1831 -8.1831 0.3958 0.3958 0.6935 0.6935 1.1273 1.1273 1.8783 1.8783 2.1896 2.1896 2.7225 2.7225 3.1709 3.1709 4.3573 4.3573 8.4719 8.4719 8.8707 8.8707 9.3676 9.3676 9.5329 9.5329 k = 0.0000 0.0000 0.2047 ( 5252 PWs) bands (ev): -9.9126 -9.9126 -9.7444 -9.7444 -9.2149 -9.2149 -9.2100 -9.2100 -9.1836 -9.1836 -9.0182 -9.0182 -8.3680 -8.3680 -8.3631 -8.3631 -8.3550 -8.3550 -8.3271 -8.3271 -8.3127 -8.3127 -8.1807 -8.1807 0.4411 0.4411 0.7403 0.7403 1.1072 1.1072 1.8430 1.8430 2.1738 2.1738 2.7089 2.7089 3.1254 3.1254 4.3599 4.3599 8.5625 8.5625 8.9129 8.9129 9.3458 9.3458 9.6429 9.6429 k = 0.0000 0.0000 0.1842 ( 5244 PWs) bands (ev): -9.9170 -9.9170 -9.7449 -9.7449 -9.2149 -9.2149 -9.2099 -9.2099 -9.1847 -9.1847 -9.0162 -9.0162 -8.3679 -8.3679 -8.3631 -8.3631 -8.3554 -8.3554 -8.3270 -8.3270 -8.3130 -8.3130 -8.1785 -8.1785 0.4865 0.4865 0.7856 0.7856 1.0886 1.0886 1.8067 1.8067 2.1591 2.1591 2.6939 2.6939 3.0837 3.0837 4.3627 4.3627 8.6529 8.6529 8.9533 8.9533 9.3201 9.3201 9.7587 9.7587 k = 0.0000 0.0000 0.1638 ( 5250 PWs) bands (ev): -9.9209 -9.9209 -9.7454 -9.7454 -9.2149 -9.2149 -9.2099 -9.2099 -9.1856 -9.1856 -9.0145 -9.0145 -8.3679 -8.3679 -8.3633 -8.3633 -8.3558 -8.3558 -8.3269 -8.3269 -8.3133 -8.3133 -8.1765 -8.1765 0.5315 0.5315 0.8289 0.8289 1.0717 1.0717 1.7699 1.7699 2.1457 2.1457 2.6776 2.6776 3.0462 3.0462 4.3654 4.3654 8.7421 8.7421 8.9917 8.9917 9.2958 9.2958 9.8740 9.8740 k = 0.0000 0.0000 0.1433 ( 5242 PWs) bands (ev): -9.9245 -9.9245 -9.7459 -9.7459 -9.2148 -9.2148 -9.2098 -9.2098 -9.1864 -9.1864 -9.0129 -9.0129 -8.3678 -8.3678 -8.3633 -8.3633 -8.3561 -8.3561 -8.3268 -8.3268 -8.3135 -8.3135 -8.1747 -8.1747 0.5755 0.5755 0.8694 0.8694 1.0565 1.0565 1.7333 1.7333 2.1338 2.1338 2.6604 2.6604 3.0135 3.0135 4.3681 4.3681 8.8287 8.8287 9.0282 9.0282 9.2743 9.2743 9.9856 9.9856 k = 0.0000 0.0000 0.1228 ( 5242 PWs) bands (ev): -9.9276 -9.9276 -9.7463 -9.7463 -9.2149 -9.2149 -9.2097 -9.2097 -9.1872 -9.1872 -9.0115 -9.0115 -8.3677 -8.3677 -8.3634 -8.3634 -8.3564 -8.3564 -8.3268 -8.3268 -8.3136 -8.3136 -8.1731 -8.1731 0.6177 0.6177 0.9066 0.9066 1.0429 1.0429 1.6977 1.6977 2.1233 2.1233 2.6427 2.6427 2.9857 2.9857 4.3706 4.3706 8.9102 8.9102 9.0629 9.0629 9.2573 9.2573 10.0717 10.0717 k = 0.0000 0.0000 0.1024 ( 5246 PWs) bands (ev): -9.9303 -9.9303 -9.7466 -9.7466 -9.2150 -9.2150 -9.2096 -9.2096 -9.1878 -9.1878 -9.0104 -9.0104 -8.3677 -8.3677 -8.3635 -8.3635 -8.3567 -8.3567 -8.3268 -8.3268 -8.3138 -8.3138 -8.1717 -8.1717 0.6571 0.6571 0.9397 0.9397 1.0309 1.0309 1.6642 1.6642 2.1144 2.1144 2.6252 2.6252 2.9628 2.9628 4.3728 4.3728 8.9823 8.9823 9.0965 9.0965 9.2472 9.2472 10.0251 10.0251 k = 0.0000 0.0000 0.0819 ( 5247 PWs) bands (ev): -9.9325 -9.9325 -9.7469 -9.7469 -9.2150 -9.2150 -9.2095 -9.2095 -9.1884 -9.1884 -9.0094 -9.0094 -8.3676 -8.3676 -8.3635 -8.3635 -8.3570 -8.3570 -8.3267 -8.3267 -8.3139 -8.3139 -8.1706 -8.1706 0.6926 0.6926 0.9681 0.9681 1.0206 1.0206 1.6340 1.6340 2.1071 2.1071 2.6089 2.6089 2.9448 2.9448 4.3747 4.3747 9.0387 9.0387 9.1272 9.1272 9.2500 9.2500 9.9593 9.9593 k = 0.0000 0.0000 0.0614 ( 5243 PWs) bands (ev): -9.9342 -9.9342 -9.7472 -9.7472 -9.2150 -9.2150 -9.2095 -9.2095 -9.1887 -9.1887 -9.0087 -9.0087 -8.3676 -8.3676 -8.3635 -8.3635 -8.3571 -8.3571 -8.3267 -8.3267 -8.3139 -8.3139 -8.1697 -8.1697 0.7229 0.7229 0.9909 0.9909 1.0121 1.0121 1.6083 1.6083 2.1015 2.1015 2.5948 2.5948 2.9312 2.9312 4.3763 4.3763 9.0766 9.0766 9.1470 9.1470 9.2742 9.2742 9.8967 9.8967 k = 0.0000 0.0000 0.0409 ( 5237 PWs) bands (ev): -9.9354 -9.9354 -9.7474 -9.7474 -9.2150 -9.2150 -9.2094 -9.2094 -9.1890 -9.1890 -9.0082 -9.0082 -8.3675 -8.3675 -8.3635 -8.3635 -8.3572 -8.3572 -8.3267 -8.3267 -8.3139 -8.3139 -8.1691 -8.1691 0.7464 0.7464 1.0045 1.0045 1.0088 1.0088 1.5886 1.5886 2.0975 2.0975 2.5838 2.5838 2.9217 2.9217 4.3774 4.3774 9.0997 9.0997 9.1534 9.1534 9.3137 9.3137 9.8419 9.8419 k = 0.0000 0.0000 0.0205 ( 5233 PWs) bands (ev): -9.9362 -9.9362 -9.7475 -9.7475 -9.2150 -9.2150 -9.2094 -9.2094 -9.1891 -9.1891 -9.0078 -9.0078 -8.3674 -8.3674 -8.3636 -8.3636 -8.3573 -8.3573 -8.3267 -8.3267 -8.3139 -8.3139 -8.1687 -8.1687 0.7613 0.7613 1.0010 1.0010 1.0184 1.0184 1.5761 1.5761 2.0950 2.0950 2.5769 2.5769 2.9162 2.9162 4.3781 4.3781 9.1125 9.1125 9.1539 9.1539 9.3490 9.3490 9.8022 9.8022 k = 0.0000 0.0000 0.0000 ( 5203 PWs) bands (ev): -9.9364 -9.9364 -9.7474 -9.7474 -9.2148 -9.2148 -9.2092 -9.2092 -9.1890 -9.1890 -9.0076 -9.0076 -8.3673 -8.3673 -8.3634 -8.3634 -8.3571 -8.3571 -8.3265 -8.3265 -8.3138 -8.3138 -8.1685 -8.1685 0.7665 0.7665 0.9995 0.9995 1.0218 1.0218 1.5719 1.5719 2.0942 2.0942 2.5746 2.5746 2.9144 2.9144 4.3783 4.3783 9.1167 9.1167 9.1535 9.1535 9.3632 9.3632 9.7872 9.7872 k = 0.0000 0.0000 0.0000 ( 5203 PWs) bands (ev): -9.9364 -9.9364 -9.7474 -9.7474 -9.2148 -9.2148 -9.2092 -9.2092 -9.1890 -9.1890 -9.0076 -9.0076 -8.3673 -8.3673 -8.3634 -8.3634 -8.3571 -8.3571 -8.3265 -8.3265 -8.3138 -8.3138 -8.1685 -8.1685 0.7665 0.7665 0.9995 0.9995 1.0218 1.0218 1.5719 1.5719 2.0942 2.0942 2.5746 2.5746 2.9144 2.9144 4.3783 4.3783 9.1167 9.1167 9.1535 9.1535 9.3632 9.3632 9.7872 9.7872 k =-0.0192 0.0069 0.0000 ( 5235 PWs) bands (ev): -9.9362 -9.9362 -9.7475 -9.7475 -9.2149 -9.2149 -9.2093 -9.2093 -9.1892 -9.1892 -9.0079 -9.0079 -8.3674 -8.3674 -8.3635 -8.3635 -8.3573 -8.3573 -8.3268 -8.3268 -8.3139 -8.3139 -8.1687 -8.1687 0.7345 0.7345 1.0106 1.0106 1.0455 1.0455 1.5725 1.5725 2.0937 2.0937 2.5747 2.5747 2.9144 2.9144 4.3787 4.3787 9.1141 9.1141 9.1508 9.1508 9.3581 9.3581 9.7882 9.7882 k =-0.0385 0.0138 0.0000 ( 5235 PWs) bands (ev): -9.9357 -9.9357 -9.7474 -9.7474 -9.2149 -9.2149 -9.2093 -9.2093 -9.1892 -9.1892 -9.0084 -9.0084 -8.3674 -8.3674 -8.3635 -8.3635 -8.3572 -8.3572 -8.3271 -8.3271 -8.3138 -8.3138 -8.1691 -8.1691 0.6668 0.6668 1.0124 1.0124 1.1195 1.1195 1.5743 1.5743 2.0920 2.0920 2.5750 2.5750 2.9144 2.9144 4.3797 4.3797 9.1021 9.1021 9.1471 9.1471 9.3433 9.3433 9.7907 9.7907 k =-0.0577 0.0208 0.0000 ( 5237 PWs) bands (ev): -9.9348 -9.9348 -9.7473 -9.7473 -9.2149 -9.2149 -9.2093 -9.2093 -9.1891 -9.1891 -9.0091 -9.0091 -8.3674 -8.3674 -8.3635 -8.3635 -8.3570 -8.3570 -8.3276 -8.3276 -8.3135 -8.3135 -8.1697 -8.1697 0.5894 0.5894 1.0119 1.0119 1.2107 1.2107 1.5775 1.5775 2.0892 2.0892 2.5755 2.5755 2.9145 2.9145 4.3815 4.3815 9.0751 9.0751 9.1483 9.1483 9.3207 9.3207 9.7930 9.7930 k =-0.0769 0.0277 0.0000 ( 5249 PWs) bands (ev): -9.9336 -9.9336 -9.7472 -9.7472 -9.2149 -9.2149 -9.2095 -9.2095 -9.1890 -9.1890 -9.0102 -9.0102 -8.3674 -8.3674 -8.3636 -8.3636 -8.3567 -8.3567 -8.3283 -8.3283 -8.3134 -8.3134 -8.1706 -8.1706 0.5106 0.5106 1.0107 1.0107 1.3085 1.3085 1.5828 1.5828 2.0855 2.0855 2.5760 2.5760 2.9147 2.9147 4.3838 4.3838 9.0347 9.0347 9.1524 9.1524 9.2933 9.2933 9.7929 9.7929 k =-0.0962 0.0346 0.0000 ( 5243 PWs) bands (ev): -9.9321 -9.9321 -9.7470 -9.7470 -9.2148 -9.2148 -9.2095 -9.2095 -9.1888 -9.1888 -9.0114 -9.0114 -8.3674 -8.3674 -8.3635 -8.3635 -8.3564 -8.3564 -8.3291 -8.3291 -8.3130 -8.3130 -8.1715 -8.1715 0.4331 0.4331 1.0091 1.0091 1.4080 1.4080 1.5918 1.5918 2.0810 2.0810 2.5765 2.5765 2.9150 2.9150 4.3865 4.3865 8.9833 8.9833 9.1542 9.1542 9.2668 9.2668 9.7885 9.7885 k =-0.1154 0.0415 0.0000 ( 5247 PWs) bands (ev): -9.9303 -9.9303 -9.7468 -9.7468 -9.2148 -9.2148 -9.2096 -9.2096 -9.1886 -9.1886 -9.0129 -9.0129 -8.3675 -8.3675 -8.3635 -8.3635 -8.3560 -8.3560 -8.3300 -8.3300 -8.3127 -8.3127 -8.1728 -8.1728 0.3579 0.3579 1.0071 1.0071 1.4998 1.4998 1.6126 1.6126 2.0760 2.0760 2.5769 2.5769 2.9155 2.9155 4.3897 4.3897 8.9223 8.9223 9.1444 9.1444 9.2512 9.2512 9.7786 9.7786 k =-0.1346 0.0485 0.0000 ( 5249 PWs) bands (ev): -9.9282 -9.9282 -9.7466 -9.7466 -9.2147 -9.2147 -9.2096 -9.2096 -9.1884 -9.1884 -9.0147 -9.0147 -8.3675 -8.3675 -8.3635 -8.3635 -8.3555 -8.3555 -8.3310 -8.3310 -8.3124 -8.3124 -8.1742 -8.1742 0.2855 0.2855 1.0049 1.0049 1.5557 1.5557 1.6724 1.6724 2.0708 2.0708 2.5771 2.5771 2.9162 2.9162 4.3929 4.3929 8.8524 8.8524 9.1169 9.1169 9.2537 9.2537 9.7628 9.7628 k =-0.1538 0.0554 0.0000 ( 5265 PWs) bands (ev): -9.9258 -9.9258 -9.7463 -9.7463 -9.2147 -9.2147 -9.2097 -9.2097 -9.1882 -9.1882 -9.0168 -9.0168 -8.3676 -8.3676 -8.3635 -8.3635 -8.3550 -8.3550 -8.3320 -8.3320 -8.3123 -8.3123 -8.1759 -8.1759 0.2163 0.2163 1.0023 1.0023 1.5763 1.5763 1.7694 1.7694 2.0660 2.0660 2.5771 2.5771 2.9173 2.9173 4.3961 4.3961 8.7739 8.7739 9.0778 9.0778 9.2692 9.2692 9.7419 9.7419 k =-0.1731 0.0623 0.0000 ( 5269 PWs) bands (ev): -9.9232 -9.9232 -9.7461 -9.7461 -9.2147 -9.2147 -9.2098 -9.2098 -9.1878 -9.1878 -9.0190 -9.0190 -8.3676 -8.3676 -8.3634 -8.3634 -8.3544 -8.3544 -8.3330 -8.3330 -8.3121 -8.3121 -8.1776 -8.1776 0.1505 0.1505 0.9996 0.9996 1.5876 1.5876 1.8754 1.8754 2.0636 2.0636 2.5769 2.5769 2.9187 2.9187 4.3991 4.3991 8.6872 8.6872 9.0335 9.0335 9.2919 9.2919 9.7177 9.7177 k =-0.1923 0.0692 0.0000 ( 5272 PWs) bands (ev): -9.9204 -9.9204 -9.7458 -9.7458 -9.2146 -9.2146 -9.2098 -9.2098 -9.1875 -9.1875 -9.0214 -9.0214 -8.3676 -8.3676 -8.3634 -8.3634 -8.3537 -8.3537 -8.3340 -8.3340 -8.3120 -8.3120 -8.1796 -8.1796 0.0881 0.0881 0.9966 0.9966 1.5965 1.5965 1.9729 1.9729 2.0734 2.0734 2.5770 2.5770 2.9204 2.9204 4.4015 4.4015 8.5926 8.5926 8.9875 8.9875 9.3190 9.3190 9.6923 9.6923 k =-0.2115 0.0761 0.0000 ( 5266 PWs) bands (ev): -9.9175 -9.9175 -9.7456 -9.7456 -9.2145 -9.2145 -9.2099 -9.2099 -9.1871 -9.1871 -9.0238 -9.0238 -8.3675 -8.3675 -8.3634 -8.3634 -8.3529 -8.3529 -8.3351 -8.3351 -8.3118 -8.3118 -8.1815 -8.1815 0.0293 0.0293 0.9936 0.9936 1.6047 1.6047 2.0172 2.0172 2.1373 2.1373 2.5780 2.5780 2.9226 2.9226 4.4030 4.4030 8.4909 8.4909 8.9412 8.9412 9.3492 9.3492 9.6682 9.6682 k =-0.2308 0.0831 0.0000 ( 5258 PWs) bands (ev): -9.9144 -9.9144 -9.7453 -9.7453 -9.2143 -9.2143 -9.2099 -9.2099 -9.1866 -9.1866 -9.0264 -9.0264 -8.3675 -8.3675 -8.3634 -8.3634 -8.3520 -8.3520 -8.3360 -8.3360 -8.3118 -8.3118 -8.1835 -8.1835 -0.0259 -0.0259 0.9904 0.9904 1.6126 1.6126 2.0213 2.0213 2.2399 2.2399 2.5817 2.5817 2.9251 2.9251 4.4033 4.4033 8.3831 8.3831 8.8959 8.8959 9.3813 9.3813 9.6479 9.6479 k =-0.2500 0.0900 0.0000 ( 5270 PWs) bands (ev): -9.9112 -9.9112 -9.7451 -9.7451 -9.2143 -9.2143 -9.2100 -9.2100 -9.1861 -9.1861 -9.0292 -9.0292 -8.3675 -8.3675 -8.3634 -8.3634 -8.3512 -8.3512 -8.3370 -8.3370 -8.3119 -8.3119 -8.1856 -8.1856 -0.0774 -0.0774 0.9872 0.9872 1.6204 1.6204 2.0182 2.0182 2.3425 2.3425 2.5931 2.5931 2.9279 2.9279 4.4020 4.4020 8.2706 8.2706 8.8521 8.8521 9.4136 9.4136 9.6339 9.6339 k =-0.2692 0.0969 0.0000 ( 5274 PWs) bands (ev): -9.9081 -9.9081 -9.7448 -9.7448 -9.2142 -9.2142 -9.2102 -9.2102 -9.1857 -9.1857 -9.0319 -9.0319 -8.3675 -8.3675 -8.3635 -8.3635 -8.3504 -8.3504 -8.3380 -8.3380 -8.3120 -8.3120 -8.1877 -8.1877 -0.1252 -0.1252 0.9840 0.9840 1.6280 1.6280 2.0138 2.0138 2.4260 2.4260 2.6251 2.6251 2.9312 2.9312 4.3986 4.3986 8.1550 8.1550 8.8104 8.8104 9.4441 9.4441 9.6292 9.6292 k =-0.2885 0.1038 0.0000 ( 5278 PWs) bands (ev): -9.9049 -9.9049 -9.7446 -9.7446 -9.2141 -9.2141 -9.2103 -9.2103 -9.1852 -9.1852 -9.0346 -9.0346 -8.3674 -8.3674 -8.3635 -8.3635 -8.3495 -8.3495 -8.3389 -8.3389 -8.3122 -8.3122 -8.1897 -8.1897 -0.1692 -0.1692 0.9809 0.9809 1.6354 1.6354 2.0093 2.0093 2.4721 2.4721 2.6943 2.6943 2.9349 2.9349 4.3929 4.3929 8.0381 8.0381 8.7711 8.7711 9.4701 9.4701 9.6370 9.6370 k =-0.3077 0.1108 0.0000 ( 5276 PWs) bands (ev): -9.9018 -9.9018 -9.7445 -9.7445 -9.2140 -9.2140 -9.2104 -9.2104 -9.1847 -9.1847 -9.0373 -9.0373 -8.3673 -8.3673 -8.3636 -8.3636 -8.3486 -8.3486 -8.3396 -8.3396 -8.3124 -8.3124 -8.1917 -8.1917 -0.2095 -0.2095 0.9778 0.9778 1.6425 1.6425 2.0051 2.0051 2.4885 2.4885 2.7916 2.7916 2.9397 2.9397 4.3842 4.3842 7.9219 7.9219 8.7346 8.7346 9.4902 9.4902 9.6586 9.6586 k =-0.3269 0.1177 0.0000 ( 5280 PWs) bands (ev): -9.8988 -9.8988 -9.7443 -9.7443 -9.2139 -9.2139 -9.2105 -9.2105 -9.1841 -9.1841 -9.0399 -9.0399 -8.3673 -8.3673 -8.3637 -8.3637 -8.3478 -8.3478 -8.3402 -8.3402 -8.3128 -8.3128 -8.1936 -8.1936 -0.2460 -0.2460 0.9749 0.9749 1.6492 1.6492 2.0014 2.0014 2.4921 2.4921 2.8931 2.8931 2.9517 2.9517 4.3720 4.3720 7.8085 7.8085 8.7011 8.7011 9.5059 9.5059 9.6923 9.6923 k =-0.3462 0.1246 0.0000 ( 5294 PWs) bands (ev): -9.8959 -9.8959 -9.7442 -9.7442 -9.2139 -9.2139 -9.2107 -9.2107 -9.1837 -9.1837 -9.0424 -9.0424 -8.3673 -8.3673 -8.3638 -8.3638 -8.3472 -8.3472 -8.3408 -8.3408 -8.3132 -8.3132 -8.1954 -8.1954 -0.2786 -0.2786 0.9722 0.9722 1.6553 1.6553 1.9983 1.9983 2.4905 2.4905 2.9349 2.9349 3.0265 3.0265 4.3560 4.3560 7.6997 7.6997 8.6707 8.6707 9.5205 9.5205 9.7346 9.7346 k =-0.3654 0.1315 0.0000 ( 5286 PWs) bands (ev): -9.8933 -9.8933 -9.7441 -9.7441 -9.2137 -9.2137 -9.2107 -9.2107 -9.1832 -9.1832 -9.0446 -9.0446 -8.3672 -8.3672 -8.3639 -8.3639 -8.3466 -8.3466 -8.3411 -8.3411 -8.3135 -8.3135 -8.1969 -8.1969 -0.3075 -0.3075 0.9697 0.9697 1.6609 1.6609 1.9958 1.9958 2.4868 2.4868 2.9416 2.9416 3.1354 3.1354 4.3358 4.3358 7.5976 7.5976 8.6436 8.6436 9.5366 9.5366 9.7822 9.7822 k =-0.3846 0.1384 0.0000 ( 5290 PWs) bands (ev): -9.8909 -9.8909 -9.7440 -9.7440 -9.2136 -9.2136 -9.2108 -9.2108 -9.1828 -9.1828 -9.0467 -9.0467 -8.3671 -8.3671 -8.3640 -8.3640 -8.3463 -8.3463 -8.3412 -8.3412 -8.3139 -8.3139 -8.1984 -8.1984 -0.3325 -0.3325 0.9675 0.9675 1.6659 1.6659 1.9939 1.9939 2.4822 2.4822 2.9454 2.9454 3.2440 3.2440 4.3111 4.3111 7.5041 7.5041 8.6199 8.6199 9.5556 9.5556 9.8325 9.8325 k =-0.4038 0.1454 0.0000 ( 5286 PWs) bands (ev): -9.8887 -9.8887 -9.7440 -9.7440 -9.2135 -9.2135 -9.2109 -9.2109 -9.1824 -9.1824 -9.0485 -9.0485 -8.3670 -8.3670 -8.3641 -8.3641 -8.3462 -8.3462 -8.3409 -8.3409 -8.3142 -8.3142 -8.1997 -8.1997 -0.3537 -0.3537 0.9655 0.9655 1.6701 1.6701 1.9925 1.9925 2.4775 2.4775 2.9483 2.9483 3.3482 3.3482 4.2821 4.2821 7.4211 7.4211 8.5998 8.5998 9.5780 9.5780 9.8831 9.8831 k =-0.4231 0.1523 0.0000 ( 5286 PWs) bands (ev): -9.8869 -9.8869 -9.7439 -9.7439 -9.2134 -9.2134 -9.2109 -9.2109 -9.1821 -9.1821 -9.0500 -9.0500 -8.3669 -8.3669 -8.3642 -8.3642 -8.3462 -8.3462 -8.3407 -8.3407 -8.3146 -8.3146 -8.2007 -8.2007 -0.3710 -0.3710 0.9639 0.9639 1.6736 1.6736 1.9916 1.9916 2.4731 2.4731 2.9506 2.9506 3.4451 3.4451 4.2494 4.2494 7.3504 7.3504 8.5832 8.5832 9.6037 9.6037 9.9291 9.9291 k =-0.4423 0.1592 0.0000 ( 5290 PWs) bands (ev): -9.8855 -9.8855 -9.7439 -9.7439 -9.2134 -9.2134 -9.2110 -9.2110 -9.1818 -9.1818 -9.0513 -9.0513 -8.3668 -8.3668 -8.3643 -8.3643 -8.3462 -8.3462 -8.3404 -8.3404 -8.3149 -8.3149 -8.2016 -8.2016 -0.3845 -0.3845 0.9626 0.9626 1.6763 1.6763 1.9910 1.9910 2.4693 2.4693 2.9524 2.9524 3.5314 3.5314 4.2148 4.2148 7.2936 7.2936 8.5702 8.5702 9.6318 9.6318 9.9536 9.9536 k =-0.4615 0.1661 0.0000 ( 5282 PWs) bands (ev): -9.8845 -9.8845 -9.7439 -9.7439 -9.2133 -9.2133 -9.2110 -9.2110 -9.1816 -9.1816 -9.0522 -9.0522 -8.3666 -8.3666 -8.3643 -8.3643 -8.3462 -8.3462 -8.3401 -8.3401 -8.3151 -8.3151 -8.2022 -8.2022 -0.3942 -0.3942 0.9616 0.9616 1.6782 1.6782 1.9907 1.9907 2.4664 2.4664 2.9537 2.9537 3.6022 3.6022 4.1818 4.1818 7.2519 7.2519 8.5609 8.5609 9.6602 9.6602 9.9345 9.9345 k =-0.4808 0.1731 0.0000 ( 5272 PWs) bands (ev): -9.8838 -9.8838 -9.7439 -9.7439 -9.2132 -9.2132 -9.2109 -9.2109 -9.1814 -9.1814 -9.0527 -9.0527 -8.3665 -8.3665 -8.3643 -8.3643 -8.3463 -8.3463 -8.3398 -8.3398 -8.3152 -8.3152 -8.2026 -8.2026 -0.4000 -0.4000 0.9611 0.9611 1.6794 1.6794 1.9905 1.9905 2.4647 2.4647 2.9545 2.9545 3.6505 3.6505 4.1566 4.1566 7.2265 7.2265 8.5553 8.5553 9.6837 9.6837 9.9052 9.9052 k =-0.5000 0.1800 0.0000 ( 5280 PWs) bands (ev): -9.8836 -9.8836 -9.7439 -9.7439 -9.2132 -9.2132 -9.2109 -9.2109 -9.1814 -9.1814 -9.0530 -9.0530 -8.3665 -8.3665 -8.3644 -8.3644 -8.3464 -8.3464 -8.3398 -8.3398 -8.3152 -8.3152 -8.2027 -8.2027 -0.4019 -0.4019 0.9609 0.9609 1.6798 1.6798 1.9905 1.9905 2.4641 2.4641 2.9547 2.9547 3.6680 3.6680 4.1469 4.1469 7.2180 7.2180 8.5535 8.5535 9.6936 9.6936 9.8925 9.8925 k =-0.5000 0.1800 0.0000 ( 5280 PWs) bands (ev): -9.8836 -9.8836 -9.7439 -9.7439 -9.2132 -9.2132 -9.2109 -9.2109 -9.1814 -9.1814 -9.0530 -9.0530 -8.3665 -8.3665 -8.3644 -8.3644 -8.3464 -8.3464 -8.3398 -8.3398 -8.3152 -8.3152 -8.2027 -8.2027 -0.4019 -0.4019 0.9609 0.9609 1.6798 1.6798 1.9905 1.9905 2.4641 2.4641 2.9547 2.9547 3.6680 3.6680 4.1469 4.1469 7.2180 7.2180 8.5535 8.5535 9.6936 9.6936 9.8925 9.8925 k =-0.4930 0.1995-0.0000 ( 5280 PWs) bands (ev): -9.8834 -9.8834 -9.7438 -9.7438 -9.2132 -9.2132 -9.2110 -9.2110 -9.1814 -9.1814 -9.0530 -9.0530 -8.3666 -8.3666 -8.3644 -8.3644 -8.3464 -8.3464 -8.3397 -8.3397 -8.3153 -8.3153 -8.2028 -8.2028 -0.4026 -0.4026 0.9594 0.9594 1.6805 1.6805 1.9910 1.9910 2.4643 2.4643 2.9525 2.9525 3.6724 3.6724 4.1461 4.1461 7.2193 7.2193 8.5504 8.5504 9.6939 9.6939 9.8771 9.8771 k =-0.4860 0.2190-0.0000 ( 5290 PWs) bands (ev): -9.8827 -9.8827 -9.7436 -9.7436 -9.2132 -9.2132 -9.2111 -9.2111 -9.1814 -9.1814 -9.0532 -9.0532 -8.3667 -8.3667 -8.3643 -8.3643 -8.3464 -8.3464 -8.3398 -8.3398 -8.3154 -8.3154 -8.2031 -8.2031 -0.4048 -0.4048 0.9551 0.9551 1.6827 1.6827 1.9925 1.9925 2.4651 2.4651 2.9460 2.9460 3.6854 3.6854 4.1438 4.1438 7.2232 7.2232 8.5414 8.5414 9.6930 9.6930 9.8419 9.8419 k =-0.4789 0.2385-0.0000 ( 5276 PWs) bands (ev): -9.8815 -9.8815 -9.7433 -9.7433 -9.2130 -9.2130 -9.2109 -9.2109 -9.1812 -9.1812 -9.0534 -9.0534 -8.3666 -8.3666 -8.3641 -8.3641 -8.3462 -8.3462 -8.3398 -8.3398 -8.3153 -8.3153 -8.2035 -8.2035 -0.4085 -0.4085 0.9478 0.9478 1.6863 1.6863 1.9951 1.9951 2.4665 2.4665 2.9358 2.9358 3.7064 3.7064 4.1399 4.1399 7.2298 7.2298 8.5265 8.5265 9.6818 9.6818 9.8073 9.8073 k =-0.4719 0.2580-0.0000 ( 5266 PWs) bands (ev): -9.8799 -9.8799 -9.7428 -9.7428 -9.2130 -9.2130 -9.2108 -9.2108 -9.1809 -9.1809 -9.0537 -9.0537 -8.3666 -8.3666 -8.3640 -8.3640 -8.3459 -8.3459 -8.3397 -8.3397 -8.3152 -8.3152 -8.2040 -8.2040 -0.4135 -0.4135 0.9377 0.9377 1.6914 1.6914 1.9987 1.9987 2.4683 2.4683 2.9229 2.9229 3.7343 3.7343 4.1345 4.1345 7.2389 7.2389 8.5061 8.5061 9.6455 9.6455 9.7938 9.7938 k =-0.4649 0.2775-0.0000 ( 5274 PWs) bands (ev): -9.8778 -9.8778 -9.7422 -9.7422 -9.2130 -9.2130 -9.2108 -9.2108 -9.1805 -9.1805 -9.0542 -9.0542 -8.3667 -8.3667 -8.3640 -8.3640 -8.3457 -8.3457 -8.3397 -8.3397 -8.3151 -8.3151 -8.2048 -8.2048 -0.4198 -0.4198 0.9248 0.9248 1.6979 1.6979 2.0033 2.0033 2.4707 2.4707 2.9080 2.9080 3.7682 3.7682 4.1277 4.1277 7.2505 7.2505 8.4803 8.4803 9.5850 9.5850 9.8023 9.8023 k =-0.4579 0.2970-0.0000 ( 5268 PWs) bands (ev): -9.8753 -9.8753 -9.7415 -9.7415 -9.2129 -9.2129 -9.2107 -9.2107 -9.1801 -9.1801 -9.0548 -9.0548 -8.3668 -8.3668 -8.3638 -8.3638 -8.3455 -8.3455 -8.3397 -8.3397 -8.3149 -8.3149 -8.2058 -8.2058 -0.4274 -0.4274 0.9092 0.9092 1.7060 1.7060 2.0089 2.0089 2.4734 2.4734 2.8922 2.8922 3.8070 3.8070 4.1197 4.1197 7.2647 7.2647 8.4498 8.4498 9.5111 9.5111 9.8224 9.8224 k =-0.4509 0.3165-0.0000 ( 5260 PWs) bands (ev): -9.8723 -9.8723 -9.7406 -9.7406 -9.2128 -9.2128 -9.2106 -9.2106 -9.1796 -9.1796 -9.0555 -9.0555 -8.3668 -8.3668 -8.3636 -8.3636 -8.3452 -8.3452 -8.3395 -8.3395 -8.3148 -8.3148 -8.2068 -8.2068 -0.4362 -0.4362 0.8910 0.8910 1.7155 1.7155 2.0156 2.0156 2.4766 2.4766 2.8761 2.8761 3.8495 3.8495 4.1107 4.1107 7.2812 7.2812 8.4149 8.4149 9.4292 9.4292 9.8309 9.8309 k =-0.4438 0.3360-0.0000 ( 5260 PWs) bands (ev): -9.8690 -9.8690 -9.7397 -9.7397 -9.2128 -9.2128 -9.2105 -9.2105 -9.1790 -9.1790 -9.0563 -9.0563 -8.3669 -8.3669 -8.3635 -8.3635 -8.3450 -8.3450 -8.3394 -8.3394 -8.3147 -8.3147 -8.2081 -8.2081 -0.4460 -0.4460 0.8702 0.8702 1.7265 1.7265 2.0232 2.0232 2.4801 2.4801 2.8604 2.8604 3.8945 3.8945 4.1013 4.1013 7.3001 7.3001 8.3761 8.3761 9.3415 9.3415 9.7198 9.7198 k =-0.4368 0.3555-0.0000 ( 5260 PWs) bands (ev): -9.8653 -9.8653 -9.7387 -9.7387 -9.2127 -9.2127 -9.2104 -9.2104 -9.1783 -9.1783 -9.0572 -9.0572 -8.3670 -8.3670 -8.3634 -8.3634 -8.3447 -8.3447 -8.3392 -8.3392 -8.3145 -8.3145 -8.2095 -8.2095 -0.4567 -0.4567 0.8471 0.8471 1.7389 1.7389 2.0318 2.0318 2.4840 2.4840 2.8455 2.8455 3.9398 3.9398 4.0930 4.0930 7.3212 7.3212 8.3342 8.3342 9.2493 9.2493 9.5880 9.5880 k =-0.4298 0.3750-0.0000 ( 5264 PWs) bands (ev): -9.8612 -9.8612 -9.7376 -9.7376 -9.2127 -9.2127 -9.2104 -9.2104 -9.1775 -9.1775 -9.0583 -9.0583 -8.3671 -8.3671 -8.3632 -8.3632 -8.3445 -8.3445 -8.3389 -8.3389 -8.3143 -8.3143 -8.2111 -8.2111 -0.4683 -0.4683 0.8217 0.8217 1.7528 1.7528 2.0413 2.0413 2.4881 2.4881 2.8318 2.8318 3.9804 3.9804 4.0906 4.0906 7.3443 7.3443 8.2896 8.2896 9.1535 9.1535 9.4524 9.4524 k =-0.4228 0.3945-0.0000 ( 5256 PWs) bands (ev): -9.8568 -9.8568 -9.7365 -9.7365 -9.2126 -9.2126 -9.2103 -9.2103 -9.1766 -9.1766 -9.0593 -9.0593 -8.3672 -8.3672 -8.3630 -8.3630 -8.3443 -8.3443 -8.3385 -8.3385 -8.3140 -8.3140 -8.2128 -8.2128 -0.4804 -0.4804 0.7944 0.7944 1.7681 1.7681 2.0517 2.0517 2.4924 2.4924 2.8195 2.8195 4.0040 4.0040 4.1057 4.1057 7.3692 7.3692 8.2430 8.2430 9.0549 9.0549 9.3152 9.3152 k =-0.4158 0.4140-0.0000 ( 5264 PWs) bands (ev): -9.8520 -9.8520 -9.7353 -9.7353 -9.2126 -9.2126 -9.2102 -9.2102 -9.1756 -9.1756 -9.0606 -9.0606 -8.3674 -8.3674 -8.3629 -8.3629 -8.3443 -8.3443 -8.3380 -8.3380 -8.3138 -8.3138 -8.2147 -8.2147 -0.4931 -0.4931 0.7653 0.7653 1.7847 1.7847 2.0629 2.0629 2.4969 2.4969 2.8087 2.8087 4.0048 4.0048 4.1440 4.1440 7.3957 7.3957 8.1951 8.1951 8.9542 8.9542 9.1775 9.1775 k =-0.4087 0.4335-0.0000 ( 5260 PWs) bands (ev): -9.8470 -9.8470 -9.7341 -9.7341 -9.2126 -9.2126 -9.2101 -9.2101 -9.1745 -9.1745 -9.0620 -9.0620 -8.3674 -8.3674 -8.3627 -8.3627 -8.3442 -8.3442 -8.3373 -8.3373 -8.3134 -8.3134 -8.2167 -8.2167 -0.5061 -0.5061 0.7346 0.7346 1.8025 1.8025 2.0748 2.0748 2.5016 2.5016 2.7994 2.7994 3.9937 3.9937 4.1945 4.1945 7.4234 7.4234 8.1465 8.1465 8.8522 8.8522 9.0405 9.0405 k =-0.4017 0.4530-0.0000 ( 5246 PWs) bands (ev): -9.8417 -9.8417 -9.7329 -9.7329 -9.2124 -9.2124 -9.2100 -9.2100 -9.1732 -9.1732 -9.0635 -9.0635 -8.3676 -8.3676 -8.3624 -8.3624 -8.3442 -8.3442 -8.3365 -8.3365 -8.3131 -8.3131 -8.2188 -8.2188 -0.5193 -0.5193 0.7027 0.7027 1.8216 1.8216 2.0873 2.0873 2.5065 2.5065 2.7916 2.7916 3.9779 3.9779 4.2499 4.2499 7.4516 7.4516 8.0979 8.0979 8.7495 8.7495 8.9051 8.9051 k =-0.3947 0.4725-0.0000 ( 5252 PWs) bands (ev): -9.8363 -9.8363 -9.7318 -9.7318 -9.2124 -9.2124 -9.2099 -9.2099 -9.1718 -9.1718 -9.0651 -9.0651 -8.3677 -8.3677 -8.3623 -8.3623 -8.3443 -8.3443 -8.3357 -8.3357 -8.3127 -8.3127 -8.2211 -8.2211 -0.5325 -0.5325 0.6697 0.6697 1.8416 1.8416 2.1003 2.1003 2.5115 2.5115 2.7852 2.7852 3.9598 3.9598 4.3075 4.3075 7.4796 7.4796 8.0501 8.0501 8.6470 8.6470 8.7723 8.7723 k =-0.3877 0.4920-0.0000 ( 5236 PWs) bands (ev): -9.8306 -9.8306 -9.7306 -9.7306 -9.2122 -9.2122 -9.2098 -9.2098 -9.1702 -9.1702 -9.0668 -9.0668 -8.3677 -8.3677 -8.3620 -8.3620 -8.3443 -8.3443 -8.3348 -8.3348 -8.3121 -8.3121 -8.2234 -8.2234 -0.5454 -0.5454 0.6359 0.6359 1.8626 1.8626 2.1135 2.1135 2.5167 2.5167 2.7801 2.7801 3.9406 3.9406 4.3664 4.3664 7.5063 7.5063 8.0039 8.0039 8.5454 8.5454 8.6430 8.6430 k =-0.3807 0.5115-0.0000 ( 5238 PWs) bands (ev): -9.8248 -9.8248 -9.7295 -9.7295 -9.2122 -9.2122 -9.2097 -9.2097 -9.1685 -9.1685 -9.0687 -9.0687 -8.3678 -8.3678 -8.3620 -8.3620 -8.3445 -8.3445 -8.3338 -8.3338 -8.3116 -8.3116 -8.2260 -8.2260 -0.5581 -0.5581 0.6016 0.6016 1.8843 1.8843 2.1270 2.1270 2.5220 2.5220 2.7760 2.7760 3.9208 3.9208 4.4259 4.4259 7.5299 7.5299 7.9598 7.9598 8.4453 8.4453 8.5192 8.5192 k =-0.3736 0.5310-0.0000 ( 5244 PWs) bands (ev): -9.8188 -9.8188 -9.7286 -9.7286 -9.2122 -9.2122 -9.2097 -9.2097 -9.1667 -9.1667 -9.0707 -9.0707 -8.3680 -8.3680 -8.3618 -8.3618 -8.3447 -8.3447 -8.3329 -8.3329 -8.3110 -8.3110 -8.2286 -8.2286 -0.5701 -0.5701 0.5670 0.5670 1.9065 1.9065 2.1406 2.1406 2.5275 2.5275 2.7728 2.7728 3.9009 3.9009 4.4855 4.4855 7.5482 7.5482 7.9183 7.9183 8.3464 8.3464 8.4045 8.4045 k =-0.3666 0.5505-0.0000 ( 5256 PWs) bands (ev): -9.8128 -9.8128 -9.7277 -9.7277 -9.2122 -9.2122 -9.2098 -9.2098 -9.1648 -9.1648 -9.0728 -9.0728 -8.3682 -8.3682 -8.3617 -8.3617 -8.3449 -8.3449 -8.3319 -8.3319 -8.3103 -8.3103 -8.2313 -8.2313 -0.5815 -0.5815 0.5324 0.5324 1.9290 1.9290 2.1540 2.1540 2.5330 2.5330 2.7702 2.7702 3.8814 3.8814 4.5449 4.5449 7.5582 7.5582 7.8786 7.8786 8.2455 8.2455 8.3069 8.3069 k =-0.3596 0.5700-0.0000 ( 5254 PWs) bands (ev): -9.8068 -9.8068 -9.7270 -9.7270 -9.2122 -9.2122 -9.2097 -9.2097 -9.1626 -9.1626 -9.0751 -9.0751 -8.3682 -8.3682 -8.3616 -8.3616 -8.3451 -8.3451 -8.3308 -8.3308 -8.3094 -8.3094 -8.2341 -8.2341 -0.5920 -0.5920 0.4980 0.4980 1.9515 1.9515 2.1672 2.1672 2.5385 2.5385 2.7681 2.7681 3.8627 3.8627 4.6037 4.6037 7.5571 7.5571 7.8375 7.8375 8.1423 8.1423 8.2338 8.2338 k =-0.3526 0.5895-0.0000 ( 5262 PWs) bands (ev): -9.8008 -9.8008 -9.7264 -9.7264 -9.2121 -9.2121 -9.2097 -9.2097 -9.1603 -9.1603 -9.0775 -9.0775 -8.3683 -8.3683 -8.3615 -8.3615 -8.3454 -8.3454 -8.3298 -8.3298 -8.3084 -8.3084 -8.2371 -8.2371 -0.6014 -0.6014 0.4640 0.4640 1.9734 1.9734 2.1802 2.1802 2.5440 2.5440 2.7663 2.7663 3.8451 3.8451 4.6616 4.6616 7.5433 7.5433 7.7897 7.7897 8.0423 8.0423 8.1881 8.1881 k =-0.3456 0.6090-0.0000 ( 5250 PWs) bands (ev): -9.7947 -9.7947 -9.7260 -9.7260 -9.2120 -9.2120 -9.2096 -9.2096 -9.1578 -9.1578 -9.0800 -9.0800 -8.3682 -8.3682 -8.3613 -8.3613 -8.3456 -8.3456 -8.3287 -8.3287 -8.3073 -8.3073 -8.2400 -8.2400 -0.6096 -0.6096 0.4307 0.4307 1.9944 1.9944 2.1931 2.1931 2.5493 2.5493 2.7647 2.7647 3.8292 3.8292 4.7181 4.7181 7.5168 7.5168 7.7308 7.7308 7.9499 7.9499 8.1706 8.1706 k =-0.3386 0.6285-0.0000 ( 5246 PWs) bands (ev): -9.7888 -9.7888 -9.7257 -9.7257 -9.2120 -9.2120 -9.2096 -9.2096 -9.1552 -9.1552 -9.0825 -9.0825 -8.3682 -8.3682 -8.3612 -8.3612 -8.3458 -8.3458 -8.3277 -8.3277 -8.3060 -8.3060 -8.2430 -8.2430 -0.6165 -0.6165 0.3983 0.3983 2.0138 2.0138 2.2059 2.2059 2.5542 2.5542 2.7630 2.7630 3.8154 3.8154 4.7728 4.7728 7.4786 7.4786 7.6618 7.6618 7.8681 7.8681 8.1776 8.1776 k =-0.3315 0.6480-0.0000 ( 5234 PWs) bands (ev): -9.7830 -9.7830 -9.7257 -9.7257 -9.2119 -9.2119 -9.2095 -9.2095 -9.1523 -9.1523 -9.0852 -9.0852 -8.3681 -8.3681 -8.3610 -8.3610 -8.3461 -8.3461 -8.3267 -8.3267 -8.3044 -8.3044 -8.2459 -8.2459 -0.6218 -0.6218 0.3670 0.3670 2.0308 2.0308 2.2192 2.2192 2.5585 2.5585 2.7613 2.7613 3.8040 3.8040 4.8251 4.8251 7.4294 7.4294 7.5874 7.5874 7.7990 7.7990 8.2029 8.2029 k =-0.3245 0.6675-0.0000 ( 5246 PWs) bands (ev): -9.7773 -9.7773 -9.7260 -9.7260 -9.2119 -9.2119 -9.2096 -9.2096 -9.1495 -9.1495 -9.0880 -9.0880 -8.3682 -8.3682 -8.3609 -8.3609 -8.3464 -8.3464 -8.3260 -8.3260 -8.3029 -8.3029 -8.2490 -8.2490 -0.6255 -0.6255 0.3369 0.3369 2.0445 2.0445 2.2331 2.2331 2.5619 2.5619 2.7595 2.7595 3.7954 3.7954 4.8745 4.8745 7.3699 7.3699 7.5128 7.5128 7.7432 7.7432 8.2408 8.2408 k =-0.3175 0.6870-0.0000 ( 5250 PWs) bands (ev): -9.7719 -9.7719 -9.7264 -9.7264 -9.2119 -9.2119 -9.2096 -9.2096 -9.1465 -9.1465 -9.0909 -9.0909 -8.3682 -8.3682 -8.3609 -8.3609 -8.3467 -8.3467 -8.3252 -8.3252 -8.3012 -8.3012 -8.2521 -8.2521 -0.6274 -0.6274 0.3083 0.3083 2.0542 2.0542 2.2482 2.2482 2.5641 2.5641 2.7576 2.7576 3.7899 3.7899 4.9203 4.9203 7.3015 7.3015 7.4423 7.4423 7.7002 7.7002 8.2876 8.2876 k =-0.3105 0.7065-0.0000 ( 5248 PWs) bands (ev): -9.7666 -9.7666 -9.7272 -9.7272 -9.2118 -9.2118 -9.2096 -9.2096 -9.1433 -9.1433 -9.0937 -9.0937 -8.3682 -8.3682 -8.3607 -8.3607 -8.3470 -8.3470 -8.3245 -8.3245 -8.2993 -8.2993 -8.2551 -8.2551 -0.6275 -0.6275 0.2812 0.2812 2.0593 2.0593 2.2647 2.2647 2.5647 2.5647 2.7559 2.7559 3.7878 3.7878 4.9618 4.9618 7.2263 7.2263 7.3787 7.3787 7.6685 7.6685 8.3407 8.3407 k =-0.3035 0.7260-0.0000 ( 5248 PWs) bands (ev): -9.7617 -9.7617 -9.7282 -9.7282 -9.2118 -9.2118 -9.2096 -9.2096 -9.1401 -9.1401 -9.0966 -9.0966 -8.3681 -8.3681 -8.3607 -8.3607 -8.3473 -8.3473 -8.3238 -8.3238 -8.2972 -8.2972 -8.2581 -8.2581 -0.6255 -0.6255 0.2559 0.2559 2.0595 2.0595 2.2826 2.2826 2.5632 2.5632 2.7543 2.7543 3.7892 3.7892 4.9984 4.9984 7.1472 7.1472 7.3238 7.3238 7.6465 7.6465 8.3987 8.3987 k =-0.2964 0.7455-0.0000 ( 5248 PWs) bands (ev): -9.7570 -9.7570 -9.7294 -9.7294 -9.2118 -9.2118 -9.2096 -9.2096 -9.1369 -9.1369 -9.0994 -9.0994 -8.3680 -8.3680 -8.3606 -8.3606 -8.3475 -8.3475 -8.3232 -8.3232 -8.2951 -8.2951 -8.2610 -8.2610 -0.6213 -0.6213 0.2324 0.2324 2.0549 2.0549 2.3015 2.3015 2.5595 2.5595 2.7531 2.7531 3.7941 3.7941 5.0293 5.0293 7.0666 7.0666 7.2784 7.2784 7.6329 7.6329 8.4603 8.4603 k =-0.2894 0.7650-0.0000 ( 5252 PWs) bands (ev): -9.7528 -9.7528 -9.7308 -9.7308 -9.2119 -9.2119 -9.2096 -9.2096 -9.1337 -9.1337 -9.1021 -9.1021 -8.3680 -8.3680 -8.3606 -8.3606 -8.3478 -8.3478 -8.3227 -8.3227 -8.2930 -8.2930 -8.2638 -8.2638 -0.6150 -0.6150 0.2109 0.2109 2.0456 2.0456 2.3209 2.3209 2.5533 2.5533 2.7525 2.7525 3.8024 3.8024 5.0539 5.0539 6.9865 6.9865 7.2433 7.2433 7.6266 7.6266 8.5249 8.5249 k =-0.2824 0.7845-0.0000 ( 5260 PWs) bands (ev): -9.7492 -9.7492 -9.7323 -9.7323 -9.2119 -9.2119 -9.2097 -9.2097 -9.1308 -9.1308 -9.1044 -9.1044 -8.3679 -8.3679 -8.3606 -8.3606 -8.3482 -8.3482 -8.3223 -8.3223 -8.2908 -8.2908 -8.2663 -8.2663 -0.6064 -0.6064 0.1914 0.1914 2.0320 2.0320 2.3400 2.3400 2.5447 2.5447 2.7524 2.7524 3.8138 3.8138 5.0717 5.0717 6.9082 6.9082 7.2194 7.2194 7.6271 7.6271 8.5918 8.5918 k =-0.2824 0.7845-0.0000 ( 5260 PWs) bands (ev): -9.7492 -9.7492 -9.7323 -9.7323 -9.2119 -9.2119 -9.2097 -9.2097 -9.1308 -9.1308 -9.1044 -9.1044 -8.3679 -8.3679 -8.3606 -8.3606 -8.3482 -8.3482 -8.3223 -8.3223 -8.2908 -8.2908 -8.2663 -8.2663 -0.6064 -0.6064 0.1914 0.1914 2.0320 2.0320 2.3400 2.3400 2.5447 2.5447 2.7524 2.7524 3.8138 3.8138 5.0717 5.0717 6.9082 6.9082 7.2194 7.2194 7.6271 7.6271 8.5918 8.5918 k =-0.2824 0.7845 0.0205 ( 5256 PWs) bands (ev): -9.7493 -9.7493 -9.7324 -9.7324 -9.2119 -9.2119 -9.2096 -9.2096 -9.1307 -9.1307 -9.1043 -9.1043 -8.3678 -8.3678 -8.3606 -8.3606 -8.3482 -8.3482 -8.3223 -8.3223 -8.2907 -8.2907 -8.2662 -8.2662 -0.6052 -0.6052 0.1921 0.1921 2.0272 2.0272 2.3413 2.3413 2.5419 2.5419 2.7525 2.7525 3.8150 3.8150 5.0648 5.0648 6.9072 6.9072 7.2241 7.2241 7.6344 7.6344 8.5896 8.5896 k =-0.2824 0.7845 0.0409 ( 5258 PWs) bands (ev): -9.7497 -9.7497 -9.7328 -9.7328 -9.2120 -9.2120 -9.2094 -9.2094 -9.1304 -9.1304 -9.1039 -9.1039 -8.3677 -8.3677 -8.3605 -8.3605 -8.3481 -8.3481 -8.3224 -8.3224 -8.2905 -8.2905 -8.2659 -8.2659 -0.6014 -0.6014 0.1942 0.1942 2.0131 2.0131 2.3445 2.3445 2.5336 2.5336 2.7525 2.7525 3.8184 3.8184 5.0446 5.0446 6.9040 6.9040 7.2381 7.2381 7.6561 7.6561 8.5837 8.5837 k =-0.2824 0.7845 0.0614 ( 5258 PWs) bands (ev): -9.7502 -9.7502 -9.7334 -9.7334 -9.2120 -9.2120 -9.2091 -9.2091 -9.1300 -9.1300 -9.1033 -9.1033 -8.3675 -8.3675 -8.3602 -8.3602 -8.3481 -8.3481 -8.3226 -8.3226 -8.2900 -8.2900 -8.2653 -8.2653 -0.5952 -0.5952 0.1977 0.1977 1.9908 1.9908 2.3485 2.3485 2.5209 2.5209 2.7522 2.7522 3.8239 3.8239 5.0120 5.0120 6.8989 6.8989 7.2612 7.2612 7.6912 7.6912 8.5756 8.5756 k =-0.2824 0.7845 0.0819 ( 5255 PWs) bands (ev): -9.7510 -9.7510 -9.7342 -9.7342 -9.2120 -9.2120 -9.2086 -9.2086 -9.1294 -9.1294 -9.1025 -9.1025 -8.3672 -8.3672 -8.3598 -8.3598 -8.3480 -8.3480 -8.3227 -8.3227 -8.2894 -8.2894 -8.2645 -8.2645 -0.5864 -0.5864 0.2025 0.2025 1.9616 1.9616 2.3515 2.3515 2.5051 2.5051 2.7510 2.7510 3.8310 3.8310 4.9684 4.9684 6.8919 6.8919 7.2931 7.2931 7.7384 7.7384 8.5674 8.5674 k =-0.2824 0.7845 0.1024 ( 5257 PWs) bands (ev): -9.7520 -9.7520 -9.7353 -9.7353 -9.2120 -9.2120 -9.2081 -9.2081 -9.1286 -9.1286 -9.1015 -9.1015 -8.3669 -8.3669 -8.3594 -8.3594 -8.3479 -8.3479 -8.3230 -8.3230 -8.2886 -8.2886 -8.2635 -8.2635 -0.5751 -0.5751 0.2087 0.2087 1.9267 1.9267 2.3511 2.3511 2.4885 2.4885 2.7483 2.7483 3.8390 3.8390 4.9155 4.9155 6.8836 6.8836 7.3334 7.3334 7.7960 7.7960 8.5609 8.5609 k =-0.2824 0.7845 0.1228 ( 5267 PWs) bands (ev): -9.7533 -9.7533 -9.7366 -9.7366 -9.2121 -9.2121 -9.2076 -9.2076 -9.1277 -9.1277 -9.1002 -9.1002 -8.3667 -8.3667 -8.3590 -8.3590 -8.3477 -8.3477 -8.3234 -8.3234 -8.2875 -8.2875 -8.2624 -8.2624 -0.5614 -0.5614 0.2162 0.2162 1.8872 1.8872 2.3449 2.3449 2.4737 2.4737 2.7439 2.7439 3.8474 3.8474 4.8551 4.8551 6.8744 6.8744 7.3813 7.3813 7.8622 7.8622 8.5576 8.5576 k =-0.2824 0.7845 0.1433 ( 5259 PWs) bands (ev): -9.7546 -9.7546 -9.7382 -9.7382 -9.2120 -9.2120 -9.2069 -9.2069 -9.1266 -9.1266 -9.0988 -9.0988 -8.3662 -8.3662 -8.3583 -8.3583 -8.3476 -8.3476 -8.3237 -8.3237 -8.2863 -8.2863 -8.2610 -8.2610 -0.5452 -0.5452 0.2249 0.2249 1.8441 1.8441 2.3305 2.3305 2.4628 2.4628 2.7375 2.7375 3.8554 3.8554 4.7891 4.7891 6.8649 6.8649 7.4363 7.4363 7.9350 7.9350 8.5586 8.5586 k =-0.2824 0.7845 0.1638 ( 5263 PWs) bands (ev): -9.7562 -9.7562 -9.7399 -9.7399 -9.2120 -9.2120 -9.2062 -9.2062 -9.1253 -9.1253 -9.0972 -9.0972 -8.3659 -8.3659 -8.3577 -8.3577 -8.3474 -8.3474 -8.3241 -8.3241 -8.2848 -8.2848 -8.2596 -8.2596 -0.5264 -0.5264 0.2348 0.2348 1.7981 1.7981 2.3078 2.3078 2.4563 2.4563 2.7291 2.7291 3.8624 3.8624 4.7192 4.7192 6.8558 6.8558 7.4976 7.4976 8.0125 8.0125 8.5646 8.5646 k =-0.2824 0.7845 0.1842 ( 5259 PWs) bands (ev): -9.7579 -9.7579 -9.7417 -9.7417 -9.2119 -9.2119 -9.2055 -9.2055 -9.1238 -9.1238 -9.0954 -9.0954 -8.3655 -8.3655 -8.3569 -8.3569 -8.3471 -8.3471 -8.3245 -8.3245 -8.2832 -8.2832 -8.2579 -8.2579 -0.5053 -0.5053 0.2458 0.2458 1.7499 1.7499 2.2784 2.2784 2.4526 2.4526 2.7187 2.7187 3.8676 3.8676 4.6469 4.6469 6.8478 6.8478 7.5644 7.5644 8.0931 8.0931 8.5758 8.5758 k =-0.2824 0.7845 0.2047 ( 5263 PWs) bands (ev): -9.7597 -9.7597 -9.7438 -9.7438 -9.2118 -9.2118 -9.2048 -9.2048 -9.1222 -9.1222 -9.0934 -9.0934 -8.3651 -8.3651 -8.3561 -8.3561 -8.3469 -8.3469 -8.3251 -8.3251 -8.2814 -8.2814 -8.2561 -8.2561 -0.4817 -0.4817 0.2579 0.2579 1.7000 1.7000 2.2442 2.2442 2.4496 2.4496 2.7067 2.7067 3.8705 3.8705 4.5736 4.5736 6.8417 6.8417 7.6357 7.6357 8.1752 8.1752 8.5923 8.5923 k =-0.2824 0.7845 0.2252 ( 5271 PWs) bands (ev): -9.7616 -9.7616 -9.7460 -9.7460 -9.2117 -9.2117 -9.2041 -9.2041 -9.1205 -9.1205 -9.0915 -9.0915 -8.3647 -8.3647 -8.3553 -8.3553 -8.3466 -8.3466 -8.3256 -8.3256 -8.2795 -8.2795 -8.2543 -8.2543 -0.4556 -0.4556 0.2710 0.2710 1.6490 1.6490 2.2066 2.2066 2.4459 2.4459 2.6933 2.6933 3.8706 3.8706 4.5005 4.5005 6.8382 6.8382 7.7104 7.7104 8.2573 8.2573 8.6139 8.6139 k =-0.2824 0.7845 0.2456 ( 5273 PWs) bands (ev): -9.7636 -9.7636 -9.7483 -9.7483 -9.2116 -9.2116 -9.2034 -9.2034 -9.1187 -9.1187 -9.0894 -9.0894 -8.3644 -8.3644 -8.3545 -8.3545 -8.3462 -8.3462 -8.3261 -8.3261 -8.2774 -8.2774 -8.2523 -8.2523 -0.4272 -0.4272 0.2849 0.2849 1.5973 1.5973 2.1668 2.1668 2.4402 2.4402 2.6791 2.6791 3.8675 3.8675 4.4288 4.4288 6.8378 6.8378 7.7874 7.7874 8.3383 8.3383 8.6402 8.6402 k =-0.2824 0.7845 0.2661 ( 5270 PWs) bands (ev): -9.7657 -9.7657 -9.7507 -9.7507 -9.2114 -9.2114 -9.2027 -9.2027 -9.1167 -9.1167 -9.0872 -9.0872 -8.3640 -8.3640 -8.3536 -8.3536 -8.3458 -8.3458 -8.3265 -8.3265 -8.2751 -8.2751 -8.2502 -8.2502 -0.3963 -0.3963 0.2996 0.2996 1.5454 1.5454 2.1252 2.1252 2.4315 2.4315 2.6648 2.6648 3.8610 3.8610 4.3592 4.3592 6.8410 6.8410 7.8652 7.8652 8.4173 8.4173 8.6708 8.6708 k =-0.2824 0.7845 0.2866 ( 5268 PWs) bands (ev): -9.7678 -9.7678 -9.7532 -9.7532 -9.2113 -9.2113 -9.2020 -9.2020 -9.1146 -9.1146 -9.0850 -9.0850 -8.3636 -8.3636 -8.3529 -8.3529 -8.3453 -8.3453 -8.3269 -8.3269 -8.2726 -8.2726 -8.2481 -8.2481 -0.3631 -0.3631 0.3149 0.3149 1.4936 1.4936 2.0822 2.0822 2.4190 2.4190 2.6509 2.6509 3.8510 3.8510 4.2926 4.2926 6.8483 6.8483 7.9422 7.9422 8.4936 8.4936 8.7050 8.7050 k =-0.2824 0.7845 0.3071 ( 5268 PWs) bands (ev): -9.7700 -9.7700 -9.7557 -9.7557 -9.2111 -9.2111 -9.2014 -9.2014 -9.1124 -9.1124 -9.0828 -9.0828 -8.3632 -8.3632 -8.3523 -8.3523 -8.3447 -8.3447 -8.3273 -8.3273 -8.2700 -8.2700 -8.2460 -8.2460 -0.3276 -0.3276 0.3308 0.3308 1.4422 1.4422 2.0381 2.0381 2.4026 2.4026 2.6379 2.6379 3.8377 3.8377 4.2295 4.2295 6.8600 6.8600 8.0167 8.0167 8.5671 8.5671 8.7423 8.7423 k =-0.2824 0.7845 0.3275 ( 5272 PWs) bands (ev): -9.7721 -9.7721 -9.7583 -9.7583 -9.2110 -9.2110 -9.2008 -9.2008 -9.1102 -9.1102 -9.0806 -9.0806 -8.3629 -8.3629 -8.3518 -8.3518 -8.3440 -8.3440 -8.3276 -8.3276 -8.2674 -8.2674 -8.2438 -8.2438 -0.2898 -0.2898 0.3471 0.3471 1.3915 1.3915 1.9929 1.9929 2.3821 2.3821 2.6261 2.6261 3.8212 3.8212 4.1702 4.1702 6.8761 6.8761 8.0863 8.0863 8.6376 8.6376 8.7823 8.7823 k =-0.2824 0.7845 0.3480 ( 5270 PWs) bands (ev): -9.7742 -9.7742 -9.7609 -9.7609 -9.2108 -9.2108 -9.2002 -9.2002 -9.1079 -9.1079 -9.0783 -9.0783 -8.3626 -8.3626 -8.3514 -8.3514 -8.3432 -8.3432 -8.3279 -8.3279 -8.2646 -8.2646 -8.2417 -8.2417 -0.2498 -0.2498 0.3637 0.3637 1.3419 1.3419 1.9464 1.9464 2.3583 2.3583 2.6153 2.6153 3.8020 3.8020 4.1150 4.1150 6.8967 6.8967 8.1490 8.1490 8.7055 8.7055 8.8246 8.8246 k =-0.2824 0.7845 0.3685 ( 5267 PWs) bands (ev): -9.7763 -9.7763 -9.7634 -9.7634 -9.2106 -9.2106 -9.1996 -9.1996 -9.1056 -9.1056 -9.0761 -9.0761 -8.3622 -8.3622 -8.3512 -8.3512 -8.3423 -8.3423 -8.3281 -8.3281 -8.2618 -8.2618 -8.2395 -8.2395 -0.2075 -0.2075 0.3805 0.3805 1.2936 1.2936 1.8984 1.8984 2.3322 2.3322 2.6052 2.6052 3.7807 3.7807 4.0640 4.0640 6.9218 6.9218 8.2022 8.2022 8.7707 8.7707 8.8694 8.8694 k =-0.2824 0.7845 0.3889 ( 5263 PWs) bands (ev): -9.7783 -9.7783 -9.7660 -9.7660 -9.2104 -9.2104 -9.1991 -9.1991 -9.1033 -9.1033 -9.0740 -9.0740 -8.3619 -8.3619 -8.3512 -8.3512 -8.3412 -8.3412 -8.3283 -8.3283 -8.2589 -8.2589 -8.2374 -8.2374 -0.1632 -0.1632 0.3973 0.3973 1.2467 1.2467 1.8487 1.8487 2.3050 2.3050 2.5953 2.5953 3.7578 3.7578 4.0169 4.0169 6.9512 6.9512 8.2441 8.2441 8.8330 8.8330 8.9171 8.9171 k =-0.2824 0.7845 0.4094 ( 5267 PWs) bands (ev): -9.7802 -9.7802 -9.7685 -9.7685 -9.2103 -9.2103 -9.1987 -9.1987 -9.1010 -9.1010 -9.0719 -9.0719 -8.3616 -8.3616 -8.3512 -8.3512 -8.3402 -8.3402 -8.3285 -8.3285 -8.2560 -8.2560 -8.2354 -8.2354 -0.1168 -0.1168 0.4140 0.4140 1.2015 1.2015 1.7969 1.7969 2.2781 2.2781 2.5849 2.5849 3.7342 3.7342 3.9737 3.9737 6.9848 6.9848 8.2733 8.2733 8.8917 8.8917 8.9682 8.9682 k =-0.2824 0.7845 0.4299 ( 5265 PWs) bands (ev): -9.7821 -9.7821 -9.7710 -9.7710 -9.2101 -9.2101 -9.1983 -9.1983 -9.0988 -9.0988 -9.0700 -9.0700 -8.3613 -8.3613 -8.3513 -8.3513 -8.3392 -8.3392 -8.3286 -8.3286 -8.2532 -8.2532 -8.2334 -8.2334 -0.0684 -0.0684 0.4305 0.4305 1.1582 1.1582 1.7427 1.7427 2.2526 2.2526 2.5738 2.5738 3.7105 3.7105 3.9340 3.9340 7.0223 7.0223 8.2892 8.2892 8.9461 8.9461 9.0227 9.0227 k =-0.2824 0.7845 0.4504 ( 5267 PWs) bands (ev): -9.7838 -9.7838 -9.7734 -9.7734 -9.2099 -9.2099 -9.1980 -9.1980 -9.0966 -9.0966 -9.0681 -9.0681 -8.3610 -8.3610 -8.3515 -8.3515 -8.3383 -8.3383 -8.3287 -8.3287 -8.2504 -8.2504 -8.2316 -8.2316 -0.0182 -0.0182 0.4467 0.4467 1.1170 1.1170 1.6860 1.6860 2.2296 2.2296 2.5614 2.5614 3.6875 3.6875 3.8977 3.8977 7.0634 7.0634 8.2922 8.2922 8.9965 8.9965 9.0792 9.0792 k =-0.2824 0.7845 0.4708 ( 5277 PWs) bands (ev): -9.7855 -9.7855 -9.7757 -9.7757 -9.2098 -9.2098 -9.1977 -9.1977 -9.0945 -9.0945 -9.0665 -9.0665 -8.3608 -8.3608 -8.3518 -8.3518 -8.3374 -8.3374 -8.3288 -8.3288 -8.2476 -8.2476 -8.2299 -8.2299 0.0337 0.0337 0.4625 0.4625 1.0781 1.0781 1.6267 1.6267 2.2101 2.2101 2.5475 2.5475 3.6656 3.6656 3.8644 3.8644 7.1078 7.1078 8.2833 8.2833 9.0433 9.0433 9.1354 9.1354 k =-0.2824 0.7845 0.4913 ( 5277 PWs) bands (ev): -9.7870 -9.7870 -9.7778 -9.7778 -9.2096 -9.2096 -9.1975 -9.1975 -9.0926 -9.0926 -9.0648 -9.0648 -8.3604 -8.3604 -8.3521 -8.3521 -8.3364 -8.3364 -8.3289 -8.3289 -8.2449 -8.2449 -8.2284 -8.2284 0.0870 0.0870 0.4778 0.4778 1.0417 1.0417 1.5649 1.5649 2.1945 2.1945 2.5319 2.5319 3.6454 3.6454 3.8341 3.8341 7.1553 7.1553 8.2638 8.2638 9.0870 9.0870 9.1891 9.1891 k =-0.2824 0.7845 0.5118 ( 5273 PWs) bands (ev): -9.7883 -9.7883 -9.7799 -9.7799 -9.2094 -9.2094 -9.1972 -9.1972 -9.0907 -9.0907 -9.0633 -9.0633 -8.3601 -8.3601 -8.3524 -8.3524 -8.3355 -8.3355 -8.3289 -8.3289 -8.2423 -8.2423 -8.2270 -8.2270 0.1416 0.1416 0.4925 0.4925 1.0080 1.0080 1.5010 1.5010 2.1833 2.1833 2.5147 2.5147 3.6272 3.6272 3.8065 3.8065 7.2054 7.2054 8.2353 8.2353 9.1279 9.1279 9.2385 9.2385 k =-0.2824 0.7845 0.5322 ( 5264 PWs) bands (ev): -9.7895 -9.7895 -9.7818 -9.7818 -9.2092 -9.2092 -9.1970 -9.1970 -9.0889 -9.0889 -9.0620 -9.0620 -8.3598 -8.3598 -8.3527 -8.3527 -8.3347 -8.3347 -8.3288 -8.3288 -8.2397 -8.2397 -8.2258 -8.2258 0.1971 0.1971 0.5065 0.5065 0.9773 0.9773 1.4354 1.4354 2.1764 2.1764 2.4958 2.4958 3.6113 3.6113 3.7816 3.7816 7.2580 7.2580 8.1992 8.1992 9.1658 9.1658 9.2825 9.2825 k =-0.2824 0.7845 0.5527 ( 5260 PWs) bands (ev): -9.7905 -9.7905 -9.7835 -9.7835 -9.2091 -9.2091 -9.1968 -9.1968 -9.0873 -9.0873 -9.0607 -9.0607 -8.3595 -8.3595 -8.3531 -8.3531 -8.3339 -8.3339 -8.3288 -8.3288 -8.2373 -8.2373 -8.2248 -8.2248 0.2529 0.2529 0.5197 0.5197 0.9501 0.9501 1.3686 1.3686 2.1739 2.1739 2.4755 2.4755 3.5977 3.5977 3.7593 3.7593 7.3126 7.3126 8.1569 8.1569 9.2005 9.2005 9.3203 9.3203 k =-0.2824 0.7845 0.5732 ( 5258 PWs) bands (ev): -9.7914 -9.7914 -9.7851 -9.7851 -9.2089 -9.2089 -9.1967 -9.1967 -9.0859 -9.0859 -9.0597 -9.0597 -8.3592 -8.3592 -8.3534 -8.3534 -8.3333 -8.3333 -8.3288 -8.3288 -8.2350 -8.2350 -8.2240 -8.2240 0.3084 0.3084 0.5320 0.5320 0.9268 0.9268 1.3015 1.3015 2.1753 2.1753 2.4541 2.4541 3.5864 3.5864 3.7397 3.7397 7.3688 7.3688 8.1097 8.1097 9.2318 9.2318 9.3515 9.3515 k =-0.2824 0.7845 0.5936 ( 5260 PWs) bands (ev): -9.7921 -9.7921 -9.7865 -9.7865 -9.2088 -9.2088 -9.1966 -9.1966 -9.0847 -9.0847 -9.0588 -9.0588 -8.3589 -8.3589 -8.3538 -8.3538 -8.3327 -8.3327 -8.3288 -8.3288 -8.2331 -8.2331 -8.2234 -8.2234 0.3626 0.3626 0.5429 0.5429 0.9085 0.9085 1.2348 1.2348 2.1803 2.1803 2.4322 2.4322 3.5774 3.5774 3.7227 3.7227 7.4263 7.4263 8.0587 8.0587 9.2593 9.2593 9.3763 9.3763 k =-0.2824 0.7845 0.6141 ( 5266 PWs) bands (ev): -9.7927 -9.7927 -9.7877 -9.7877 -9.2088 -9.2088 -9.1965 -9.1965 -9.0837 -9.0837 -9.0581 -9.0581 -8.3587 -8.3587 -8.3541 -8.3541 -8.3322 -8.3322 -8.3289 -8.3289 -8.2313 -8.2313 -8.2231 -8.2231 0.4141 0.4141 0.5521 0.5521 0.8963 0.8963 1.1694 1.1694 2.1881 2.1881 2.4105 2.4105 3.5706 3.5706 3.7085 3.7085 7.4842 7.4842 8.0053 8.0053 9.2829 9.2829 9.3951 9.3951 k =-0.2824 0.7845 0.6346 ( 5258 PWs) bands (ev): -9.7931 -9.7931 -9.7886 -9.7886 -9.2087 -9.2087 -9.1964 -9.1964 -9.0829 -9.0829 -9.0575 -9.0575 -8.3584 -8.3584 -8.3544 -8.3544 -8.3318 -8.3318 -8.3289 -8.3289 -8.2297 -8.2297 -8.2228 -8.2228 0.4607 0.4607 0.5589 0.5589 0.8921 0.8921 1.1069 1.1069 2.1976 2.1976 2.3901 2.3901 3.5656 3.5656 3.6972 3.6972 7.5416 7.5416 7.9510 7.9510 9.3021 9.3021 9.4084 9.4084 k =-0.2824 0.7845 0.6551 ( 5266 PWs) bands (ev): -9.7933 -9.7933 -9.7893 -9.7893 -9.2087 -9.2087 -9.1965 -9.1965 -9.0823 -9.0823 -9.0571 -9.0571 -8.3583 -8.3583 -8.3547 -8.3547 -8.3316 -8.3316 -8.3289 -8.3289 -8.2284 -8.2284 -8.2229 -8.2229 0.5000 0.5000 0.5621 0.5621 0.8978 0.8978 1.0489 1.0489 2.2073 2.2073 2.3725 2.3725 3.5623 3.5623 3.6890 3.6890 7.5964 7.5964 7.8982 7.8982 9.3164 9.3164 9.4170 9.4170 k =-0.2824 0.7845 0.6755 ( 5270 PWs) bands (ev): -9.7935 -9.7935 -9.7898 -9.7898 -9.2087 -9.2087 -9.1965 -9.1965 -9.0820 -9.0820 -9.0569 -9.0569 -8.3582 -8.3582 -8.3549 -8.3549 -8.3314 -8.3314 -8.3290 -8.3290 -8.2276 -8.2276 -8.2230 -8.2230 0.5297 0.5297 0.5600 0.5600 0.9143 0.9143 0.9988 0.9988 2.2150 2.2150 2.3601 2.3601 3.5604 3.5604 3.6840 3.6840 7.6425 7.6425 7.8531 7.8531 9.3252 9.3252 9.4218 9.4218 k =-0.2824 0.7845 0.6960 ( 5272 PWs) bands (ev): -9.7935 -9.7935 -9.7899 -9.7899 -9.2087 -9.2087 -9.1965 -9.1965 -9.0819 -9.0819 -9.0568 -9.0568 -8.3582 -8.3582 -8.3549 -8.3549 -8.3314 -8.3314 -8.3290 -8.3290 -8.2273 -8.2273 -8.2230 -8.2230 0.5457 0.5457 0.5536 0.5536 0.9313 0.9313 0.9702 0.9702 2.2180 2.2180 2.3555 2.3555 3.5598 3.5598 3.6823 3.6823 7.6634 7.6634 7.8326 7.8326 9.3282 9.3282 9.4233 9.4233 k =-0.2824 0.7845 0.6960 ( 5272 PWs) bands (ev): -9.7935 -9.7935 -9.7899 -9.7899 -9.2087 -9.2087 -9.1965 -9.1965 -9.0819 -9.0819 -9.0568 -9.0568 -8.3582 -8.3582 -8.3549 -8.3549 -8.3314 -8.3314 -8.3290 -8.3290 -8.2273 -8.2273 -8.2230 -8.2230 0.5457 0.5457 0.5536 0.5536 0.9313 0.9313 0.9702 0.9702 2.2180 2.2180 2.3555 2.3555 3.5598 3.5598 3.6823 3.6823 7.6634 7.6634 7.8326 7.8326 9.3282 9.3282 9.4233 9.4233 k =-0.2894 0.7650 0.6960 ( 5272 PWs) bands (ev): -9.7921 -9.7921 -9.7892 -9.7892 -9.2088 -9.2088 -9.1965 -9.1965 -9.0824 -9.0824 -9.0586 -9.0586 -8.3582 -8.3582 -8.3550 -8.3550 -8.3312 -8.3312 -8.3291 -8.3291 -8.2288 -8.2288 -8.2252 -8.2252 0.4948 0.4948 0.4983 0.4983 0.9595 0.9595 1.0083 1.0083 2.2467 2.2467 2.3925 2.3925 3.6002 3.6002 3.7257 3.7257 7.6066 7.6066 7.7741 7.7741 9.3442 9.3442 9.4382 9.4382 k =-0.2964 0.7455 0.6960 ( 5272 PWs) bands (ev): -9.7906 -9.7906 -9.7883 -9.7883 -9.2090 -9.2090 -9.1965 -9.1965 -9.0831 -9.0831 -9.0606 -9.0606 -8.3583 -8.3583 -8.3551 -8.3551 -8.3311 -8.3311 -8.3292 -8.3292 -8.2306 -8.2306 -8.2276 -8.2276 0.4413 0.4413 0.4427 0.4427 0.9925 0.9925 1.0483 1.0483 2.2773 2.2773 2.4305 2.4305 3.6424 3.6424 3.7705 3.7705 7.5498 7.5498 7.7156 7.7156 9.3595 9.3595 9.4522 9.4522 k =-0.3035 0.7260 0.6960 ( 5280 PWs) bands (ev): -9.7891 -9.7891 -9.7874 -9.7874 -9.2092 -9.2092 -9.1966 -9.1966 -9.0840 -9.0840 -9.0627 -9.0627 -8.3585 -8.3585 -8.3553 -8.3553 -8.3309 -8.3309 -8.3293 -8.3293 -8.2327 -8.2327 -8.2302 -8.2302 0.3867 0.3867 0.3872 0.3872 1.0293 1.0293 1.0902 1.0902 2.3095 2.3095 2.4690 2.4690 3.6861 3.6861 3.8165 3.8165 7.4931 7.4931 7.6571 7.6571 9.3739 9.3739 9.4651 9.4651 k =-0.3105 0.7065 0.6960 ( 5272 PWs) bands (ev): -9.7874 -9.7874 -9.7863 -9.7863 -9.2094 -9.2094 -9.1966 -9.1966 -9.0850 -9.0850 -9.0649 -9.0649 -8.3586 -8.3586 -8.3553 -8.3553 -8.3308 -8.3308 -8.3295 -8.3295 -8.2348 -8.2348 -8.2328 -8.2328 0.3320 0.3320 0.3323 0.3323 1.0693 1.0693 1.1342 1.1342 2.3425 2.3425 2.5076 2.5076 3.7313 3.7313 3.8637 3.8637 7.4368 7.4368 7.5990 7.5990 9.3870 9.3870 9.4763 9.4763 k =-0.3175 0.6870 0.6960 ( 5274 PWs) bands (ev): -9.7856 -9.7856 -9.7851 -9.7851 -9.2097 -9.2097 -9.1967 -9.1967 -9.0861 -9.0861 -9.0673 -9.0673 -8.3588 -8.3588 -8.3554 -8.3554 -8.3307 -8.3307 -8.3298 -8.3298 -8.2371 -8.2371 -8.2356 -8.2356 0.2777 0.2777 0.2780 0.2780 1.1119 1.1119 1.1803 1.1803 2.3758 2.3758 2.5458 2.5458 3.7778 3.7778 3.9118 3.9118 7.3812 7.3812 7.5417 7.5417 9.3985 9.3985 9.4855 9.4855 k =-0.3245 0.6675 0.6960 ( 5282 PWs) bands (ev): -9.7838 -9.7838 -9.7837 -9.7837 -9.2099 -9.2099 -9.1969 -9.1969 -9.0875 -9.0875 -9.0699 -9.0699 -8.3591 -8.3591 -8.3556 -8.3556 -8.3306 -8.3306 -8.3302 -8.3302 -8.2397 -8.2397 -8.2386 -8.2386 0.2242 0.2242 0.2247 0.2247 1.1571 1.1571 1.2285 1.2285 2.4091 2.4091 2.5833 2.5833 3.8253 3.8253 3.9607 3.9607 7.3267 7.3267 7.4853 7.4853 9.4081 9.4081 9.4921 9.4921 k =-0.3315 0.6480 0.6960 ( 5270 PWs) bands (ev): -9.7824 -9.7824 -9.7818 -9.7818 -9.2101 -9.2101 -9.1971 -9.1971 -9.0889 -9.0889 -9.0725 -9.0725 -8.3593 -8.3593 -8.3556 -8.3556 -8.3304 -8.3304 -8.3304 -8.3304 -8.2423 -8.2423 -8.2417 -8.2417 0.1718 0.1718 0.1726 0.1726 1.2046 1.2046 1.2788 1.2788 2.4418 2.4418 2.6198 2.6198 3.8737 3.8737 4.0101 4.0101 7.2736 7.2736 7.4303 7.4303 9.4152 9.4152 9.4957 9.4957 k =-0.3386 0.6285 0.6960 ( 5266 PWs) bands (ev): -9.7809 -9.7809 -9.7798 -9.7798 -9.2104 -9.2104 -9.1972 -9.1972 -9.0905 -9.0905 -9.0752 -9.0752 -8.3595 -8.3595 -8.3557 -8.3557 -8.3308 -8.3308 -8.3302 -8.3302 -8.2451 -8.2451 -8.2448 -8.2448 0.1207 0.1207 0.1218 0.1218 1.2544 1.2544 1.3313 1.3313 2.4736 2.4736 2.6548 2.6548 3.9227 3.9227 4.0597 4.0597 7.2221 7.2221 7.3769 7.3769 9.4196 9.4196 9.4958 9.4958 k =-0.3456 0.6090 0.6960 ( 5266 PWs) bands (ev): -9.7793 -9.7793 -9.7778 -9.7778 -9.2107 -9.2107 -9.1975 -9.1975 -9.0923 -9.0923 -9.0780 -9.0780 -8.3598 -8.3598 -8.3558 -8.3558 -8.3312 -8.3312 -8.3301 -8.3301 -8.2480 -8.2480 -8.2480 -8.2480 0.0711 0.0711 0.0725 0.0725 1.3062 1.3062 1.3858 1.3858 2.5042 2.5042 2.6883 2.6883 3.9717 3.9717 4.1090 4.1090 7.1728 7.1728 7.3255 7.3255 9.4207 9.4207 9.4919 9.4919 k =-0.3526 0.5895 0.6960 ( 5270 PWs) bands (ev): -9.7777 -9.7777 -9.7757 -9.7757 -9.2110 -9.2110 -9.1978 -9.1978 -9.0941 -9.0941 -9.0809 -9.0809 -8.3601 -8.3601 -8.3560 -8.3560 -8.3316 -8.3316 -8.3300 -8.3300 -8.2513 -8.2513 -8.2510 -8.2510 0.0231 0.0231 0.0248 0.0248 1.3600 1.3600 1.4423 1.4423 2.5333 2.5333 2.7200 2.7200 4.0204 4.0204 4.1577 4.1577 7.1261 7.1261 7.2766 7.2766 9.4184 9.4184 9.4836 9.4836 k =-0.3596 0.5700 0.6960 ( 5278 PWs) bands (ev): -9.7760 -9.7760 -9.7736 -9.7736 -9.2113 -9.2113 -9.1981 -9.1981 -9.0961 -9.0961 -9.0838 -9.0838 -8.3605 -8.3605 -8.3561 -8.3561 -8.3321 -8.3321 -8.3299 -8.3299 -8.2545 -8.2545 -8.2541 -8.2541 -0.0231 -0.0231 -0.0212 -0.0212 1.4157 1.4157 1.5007 1.5007 2.5607 2.5607 2.7497 2.7497 4.0682 4.0682 4.2051 4.2051 7.0823 7.0823 7.2305 7.2305 9.4123 9.4123 9.4708 9.4708 k =-0.3666 0.5505 0.6960 ( 5278 PWs) bands (ev): -9.7742 -9.7742 -9.7715 -9.7715 -9.2116 -9.2116 -9.1985 -9.1985 -9.0981 -9.0981 -9.0867 -9.0867 -8.3608 -8.3608 -8.3563 -8.3563 -8.3325 -8.3325 -8.3298 -8.3298 -8.2578 -8.2578 -8.2572 -8.2572 -0.0674 -0.0674 -0.0654 -0.0654 1.4729 1.4729 1.5609 1.5609 2.5864 2.5864 2.7774 2.7774 4.1147 4.1147 4.2508 4.2508 7.0420 7.0420 7.1876 7.1876 9.4023 9.4023 9.4533 9.4533 k =-0.3736 0.5310 0.6960 ( 5274 PWs) bands (ev): -9.7724 -9.7724 -9.7694 -9.7694 -9.2118 -9.2118 -9.1988 -9.1988 -9.1002 -9.1002 -9.0897 -9.0897 -8.3611 -8.3611 -8.3564 -8.3564 -8.3330 -8.3330 -8.3297 -8.3297 -8.2609 -8.2609 -8.2603 -8.2603 -0.1099 -0.1099 -0.1076 -0.1076 1.5317 1.5317 1.6228 1.6228 2.6100 2.6100 2.8030 2.8030 4.1592 4.1592 4.2942 4.2942 7.0056 7.0056 7.1484 7.1484 9.3885 9.3885 9.4313 9.4313 k =-0.3807 0.5115 0.6960 ( 5276 PWs) bands (ev): -9.7706 -9.7706 -9.7674 -9.7674 -9.2121 -9.2121 -9.1992 -9.1992 -9.1023 -9.1023 -9.0926 -9.0926 -8.3614 -8.3614 -8.3566 -8.3566 -8.3334 -8.3334 -8.3296 -8.3296 -8.2641 -8.2641 -8.2634 -8.2634 -0.1503 -0.1503 -0.1480 -0.1480 1.5917 1.5917 1.6861 1.6861 2.6317 2.6317 2.8265 2.8265 4.2010 4.2010 4.3345 4.3345 6.9737 6.9737 7.1133 7.1133 9.3709 9.3709 9.4052 9.4052 k =-0.3877 0.4920 0.6960 ( 5272 PWs) bands (ev): -9.7688 -9.7688 -9.7653 -9.7653 -9.2123 -9.2123 -9.1997 -9.1997 -9.1045 -9.1045 -9.0955 -9.0955 -8.3617 -8.3617 -8.3569 -8.3569 -8.3337 -8.3337 -8.3295 -8.3295 -8.2671 -8.2671 -8.2664 -8.2664 -0.1886 -0.1886 -0.1863 -0.1863 1.6527 1.6527 1.7507 1.7507 2.6511 2.6511 2.8477 2.8477 4.2397 4.2397 4.3711 4.3711 6.9467 6.9467 7.0828 7.0828 9.3498 9.3498 9.3754 9.3754 k =-0.3947 0.4725 0.6960 ( 5272 PWs) bands (ev): -9.7669 -9.7669 -9.7633 -9.7633 -9.2125 -9.2125 -9.2002 -9.2002 -9.1066 -9.1066 -9.0983 -9.0983 -8.3621 -8.3621 -8.3572 -8.3572 -8.3341 -8.3341 -8.3294 -8.3294 -8.2700 -8.2700 -8.2694 -8.2694 -0.2248 -0.2248 -0.2225 -0.2225 1.7146 1.7146 1.8163 1.8163 2.6685 2.6685 2.8667 2.8667 4.2746 4.2746 4.4035 4.4035 6.9251 6.9251 7.0571 7.0571 9.3258 9.3258 9.3427 9.3427 k =-0.4017 0.4530 0.6960 ( 5284 PWs) bands (ev): -9.7651 -9.7651 -9.7614 -9.7614 -9.2128 -9.2128 -9.2008 -9.2008 -9.1087 -9.1087 -9.1012 -9.1012 -8.3624 -8.3624 -8.3575 -8.3575 -8.3345 -8.3345 -8.3294 -8.3294 -8.2729 -8.2729 -8.2724 -8.2724 -0.2589 -0.2589 -0.2565 -0.2565 1.7770 1.7770 1.8827 1.8827 2.6836 2.6836 2.8834 2.8834 4.3053 4.3053 4.4311 4.4311 6.9092 6.9092 7.0365 7.0365 9.2994 9.2994 9.3078 9.3078 k =-0.4087 0.4335 0.6960 ( 5290 PWs) bands (ev): -9.7633 -9.7633 -9.7595 -9.7595 -9.2130 -9.2130 -9.2014 -9.2014 -9.1108 -9.1108 -9.1038 -9.1038 -8.3628 -8.3628 -8.3580 -8.3580 -8.3348 -8.3348 -8.3294 -8.3294 -8.2756 -8.2756 -8.2752 -8.2752 -0.2907 -0.2907 -0.2884 -0.2884 1.8396 1.8396 1.9494 1.9494 2.6965 2.6965 2.8978 2.8978 4.3315 4.3315 4.4534 4.4534 6.8991 6.8991 7.0212 7.0212 9.2711 9.2711 9.2715 9.2715 k =-0.4158 0.4140 0.6960 ( 5282 PWs) bands (ev): -9.7615 -9.7615 -9.7578 -9.7578 -9.2131 -9.2131 -9.2020 -9.2020 -9.1127 -9.1127 -9.1063 -9.1063 -8.3631 -8.3631 -8.3583 -8.3583 -8.3349 -8.3349 -8.3293 -8.3293 -8.2781 -8.2781 -8.2779 -8.2779 -0.3203 -0.3203 -0.3181 -0.3181 1.9020 1.9020 2.0162 2.0162 2.7073 2.7073 2.9098 2.9098 4.3528 4.3528 4.4703 4.4703 6.8950 6.8950 7.0111 7.0111 9.2347 9.2347 9.2418 9.2418 k =-0.4228 0.3945 0.6960 ( 5282 PWs) bands (ev): -9.7597 -9.7597 -9.7561 -9.7561 -9.2133 -9.2133 -9.2026 -9.2026 -9.1146 -9.1146 -9.1088 -9.1088 -8.3633 -8.3633 -8.3588 -8.3588 -8.3350 -8.3350 -8.3293 -8.3293 -8.2804 -8.2804 -8.2804 -8.2804 -0.3476 -0.3476 -0.3455 -0.3455 1.9640 1.9640 2.0826 2.0826 2.7160 2.7160 2.9192 2.9192 4.3694 4.3694 4.4816 4.4816 6.8966 6.8966 7.0061 7.0061 9.1983 9.1983 9.2119 9.2119 k =-0.4298 0.3750 0.6960 ( 5270 PWs) bands (ev): -9.7580 -9.7580 -9.7545 -9.7545 -9.2133 -9.2133 -9.2033 -9.2033 -9.1163 -9.1163 -9.1110 -9.1110 -8.3636 -8.3636 -8.3593 -8.3593 -8.3350 -8.3350 -8.3293 -8.3293 -8.2827 -8.2827 -8.2825 -8.2825 -0.3726 -0.3726 -0.3706 -0.3706 2.0252 2.0252 2.1479 2.1479 2.7226 2.7226 2.9261 2.9261 4.3814 4.3814 4.4876 4.4876 6.9036 6.9036 7.0058 7.0058 9.1629 9.1629 9.1821 9.1821 k =-0.4368 0.3555 0.6960 ( 5266 PWs) bands (ev): -9.7564 -9.7564 -9.7531 -9.7531 -9.2133 -9.2133 -9.2040 -9.2040 -9.1178 -9.1178 -9.1132 -9.1132 -8.3638 -8.3638 -8.3597 -8.3597 -8.3350 -8.3350 -8.3294 -8.3294 -8.2848 -8.2848 -8.2845 -8.2845 -0.3952 -0.3952 -0.3934 -0.3934 2.0850 2.0850 2.2117 2.2117 2.7275 2.7275 2.9302 2.9302 4.3892 4.3892 4.4886 4.4886 6.9153 6.9153 7.0095 7.0095 9.1294 9.1294 9.1531 9.1531 k =-0.4438 0.3360 0.6960 ( 5268 PWs) bands (ev): -9.7549 -9.7549 -9.7518 -9.7518 -9.2132 -9.2132 -9.2048 -9.2048 -9.1193 -9.1193 -9.1152 -9.1152 -8.3640 -8.3640 -8.3602 -8.3602 -8.3349 -8.3349 -8.3295 -8.3295 -8.2868 -8.2868 -8.2864 -8.2864 -0.4155 -0.4155 -0.4139 -0.4139 2.1430 2.1430 2.2729 2.2729 2.7307 2.7307 2.9314 2.9314 4.3934 4.3934 4.4851 4.4851 6.9309 6.9309 7.0165 7.0165 9.0982 9.0982 9.1252 9.1252 k =-0.4509 0.3165 0.6960 ( 5270 PWs) bands (ev): -9.7535 -9.7535 -9.7507 -9.7507 -9.2131 -9.2131 -9.2055 -9.2055 -9.1206 -9.1206 -9.1170 -9.1170 -8.3642 -8.3642 -8.3608 -8.3608 -8.3347 -8.3347 -8.3297 -8.3297 -8.2886 -8.2886 -8.2881 -8.2881 -0.4335 -0.4335 -0.4320 -0.4320 2.1989 2.1989 2.3306 2.3306 2.7330 2.7330 2.9295 2.9295 4.3949 4.3949 4.4780 4.4780 6.9494 6.9494 7.0258 7.0258 9.0701 9.0701 9.0990 9.0990 k =-0.4579 0.2970 0.6960 ( 5258 PWs) bands (ev): -9.7523 -9.7523 -9.7498 -9.7498 -9.2129 -9.2129 -9.2062 -9.2062 -9.1217 -9.1217 -9.1186 -9.1186 -8.3642 -8.3642 -8.3612 -8.3612 -8.3344 -8.3344 -8.3298 -8.3298 -8.2901 -8.2901 -8.2895 -8.2895 -0.4490 -0.4490 -0.4478 -0.4478 2.2520 2.2520 2.3832 2.3832 2.7350 2.7350 2.9242 2.9242 4.3944 4.3944 4.4680 4.4680 6.9697 6.9697 7.0364 7.0364 9.0455 9.0455 9.0747 9.0747 k =-0.4649 0.2775 0.6960 ( 5264 PWs) bands (ev): -9.7511 -9.7511 -9.7490 -9.7490 -9.2127 -9.2127 -9.2070 -9.2070 -9.1226 -9.1226 -9.1200 -9.1200 -8.3643 -8.3643 -8.3618 -8.3618 -8.3341 -8.3341 -8.3301 -8.3301 -8.2914 -8.2914 -8.2908 -8.2908 -0.4622 -0.4622 -0.4611 -0.4611 2.3019 2.3019 2.4287 2.4287 2.7383 2.7383 2.9153 2.9153 4.3930 4.3930 4.4562 4.4562 6.9905 6.9905 7.0470 7.0470 9.0249 9.0249 9.0527 9.0527 k =-0.4719 0.2580 0.6960 ( 5264 PWs) bands (ev): -9.7501 -9.7501 -9.7484 -9.7484 -9.2124 -9.2124 -9.2078 -9.2078 -9.1234 -9.1234 -9.1213 -9.1213 -8.3643 -8.3643 -8.3623 -8.3623 -8.3337 -8.3337 -8.3304 -8.3304 -8.2924 -8.2924 -8.2919 -8.2919 -0.4730 -0.4730 -0.4721 -0.4721 2.3479 2.3479 2.4646 2.4646 2.7447 2.7447 2.9028 2.9028 4.3916 4.3916 4.4434 4.4434 7.0108 7.0108 7.0565 7.0565 9.0084 9.0084 9.0333 9.0333 k =-0.4789 0.2385 0.6960 ( 5260 PWs) bands (ev): -9.7493 -9.7493 -9.7480 -9.7480 -9.2120 -9.2120 -9.2085 -9.2085 -9.1239 -9.1239 -9.1223 -9.1223 -8.3642 -8.3642 -8.3627 -8.3627 -8.3333 -8.3333 -8.3307 -8.3307 -8.2932 -8.2932 -8.2928 -8.2928 -0.4813 -0.4813 -0.4807 -0.4807 2.3896 2.3896 2.4881 2.4881 2.7561 2.7561 2.8866 2.8866 4.3911 4.3911 4.4308 4.4308 7.0293 7.0293 7.0639 7.0639 8.9964 8.9964 9.0167 9.0167 k =-0.4860 0.2190 0.6960 ( 5268 PWs) bands (ev): -9.7486 -9.7486 -9.7477 -9.7477 -9.2116 -9.2116 -9.2092 -9.2092 -9.1242 -9.1242 -9.1231 -9.1231 -8.3642 -8.3642 -8.3631 -8.3631 -8.3329 -8.3329 -8.3311 -8.3311 -8.2938 -8.2938 -8.2935 -8.2935 -0.4873 -0.4873 -0.4869 -0.4869 2.4261 2.4261 2.4979 2.4979 2.7735 2.7735 2.8670 2.8670 4.3922 4.3922 4.4190 4.4190 7.0449 7.0449 7.0682 7.0682 8.9890 8.9890 9.0034 9.0034 k =-0.4930 0.1995 0.6960 ( 5276 PWs) bands (ev): -9.7481 -9.7481 -9.7477 -9.7477 -9.2112 -9.2112 -9.2100 -9.2100 -9.1243 -9.1243 -9.1238 -9.1238 -8.3641 -8.3641 -8.3635 -8.3635 -8.3325 -8.3325 -8.3316 -8.3316 -8.2941 -8.2941 -8.2939 -8.2939 -0.4908 -0.4908 -0.4906 -0.4906 2.4567 2.4567 2.4945 2.4945 2.7956 2.7956 2.8444 2.8444 4.3954 4.3954 4.4089 4.4089 7.0570 7.0570 7.0687 7.0687 8.9862 8.9862 8.9937 8.9937 k =-0.5000 0.1800 0.6960 ( 5276 PWs) bands (ev): -9.7478 -9.7478 -9.7478 -9.7478 -9.2106 -9.2106 -9.2106 -9.2106 -9.1241 -9.1241 -9.1241 -9.1241 -8.3638 -8.3638 -8.3638 -8.3638 -8.3320 -8.3320 -8.3320 -8.3320 -8.2941 -8.2941 -8.2941 -8.2941 -0.4919 -0.4919 -0.4919 -0.4919 2.4801 2.4801 2.4801 2.4801 2.8201 2.8201 2.8201 2.8201 4.4009 4.4009 4.4009 4.4009 7.0651 7.0651 7.0651 7.0651 8.9878 8.9878 8.9878 8.9878 k =-0.5000 0.1800 0.6960 ( 5276 PWs) bands (ev): -9.7478 -9.7478 -9.7478 -9.7478 -9.2106 -9.2106 -9.2106 -9.2106 -9.1241 -9.1241 -9.1241 -9.1241 -8.3638 -8.3638 -8.3638 -8.3638 -8.3320 -8.3320 -8.3320 -8.3320 -8.2941 -8.2941 -8.2941 -8.2941 -0.4919 -0.4919 -0.4919 -0.4919 2.4801 2.4801 2.4801 2.4801 2.8201 2.8201 2.8201 2.8201 4.4009 4.4009 4.4009 4.4009 7.0651 7.0651 7.0651 7.0651 8.9878 8.9878 8.9878 8.9878 k =-0.5000 0.1800 0.6755 ( 5272 PWs) bands (ev): -9.7510 -9.7510 -9.7449 -9.7449 -9.2106 -9.2106 -9.2105 -9.2105 -9.1276 -9.1276 -9.1206 -9.1206 -8.3638 -8.3638 -8.3637 -8.3637 -8.3324 -8.3324 -8.3317 -8.3317 -8.2970 -8.2970 -8.2910 -8.2910 -0.5146 -0.5146 -0.4667 -0.4667 2.4594 2.4594 2.4985 2.4985 2.8073 2.8073 2.8312 2.8312 4.3561 4.3561 4.4487 4.4487 6.9811 6.9811 7.1484 7.1484 8.9763 8.9763 9.0028 9.0028 k =-0.5000 0.1800 0.6551 ( 5268 PWs) bands (ev): -9.7546 -9.7546 -9.7422 -9.7422 -9.2106 -9.2106 -9.2105 -9.2105 -9.1311 -9.1311 -9.1170 -9.1170 -8.3638 -8.3638 -8.3637 -8.3637 -8.3329 -8.3329 -8.3315 -8.3315 -8.2998 -8.2998 -8.2878 -8.2878 -0.5347 -0.5347 -0.4390 -0.4390 2.4368 2.4368 2.5142 2.5142 2.7930 2.7930 2.8407 2.8407 4.3146 4.3146 4.4987 4.4987 6.8976 6.8976 7.2299 7.2299 8.9685 8.9685 9.0208 9.0208 k =-0.5000 0.1800 0.6346 ( 5270 PWs) bands (ev): -9.7584 -9.7584 -9.7399 -9.7399 -9.2106 -9.2106 -9.2105 -9.2105 -9.1345 -9.1345 -9.1134 -9.1134 -8.3639 -8.3639 -8.3637 -8.3637 -8.3334 -8.3334 -8.3313 -8.3313 -8.3023 -8.3023 -8.2845 -8.2845 -0.5523 -0.5523 -0.4087 -0.4087 2.4125 2.4125 2.5269 2.5269 2.7773 2.7773 2.8488 2.8488 4.2768 4.2768 4.5501 4.5501 6.8158 6.8158 7.3083 7.3083 8.9648 8.9648 9.0411 9.0411 k =-0.5000 0.1800 0.6141 ( 5274 PWs) bands (ev): -9.7624 -9.7624 -9.7378 -9.7378 -9.2107 -9.2107 -9.2105 -9.2105 -9.1379 -9.1379 -9.1099 -9.1099 -8.3639 -8.3639 -8.3636 -8.3636 -8.3340 -8.3340 -8.3312 -8.3312 -8.3047 -8.3047 -8.2811 -8.2811 -0.5674 -0.5674 -0.3759 -0.3759 2.3867 2.3867 2.5359 2.5359 2.7606 2.7606 2.8557 2.8557 4.2429 4.2429 4.6019 4.6019 6.7371 6.7371 7.3825 7.3825 8.9654 8.9654 9.0629 9.0629 k =-0.5000 0.1800 0.5936 ( 5274 PWs) bands (ev): -9.7667 -9.7667 -9.7360 -9.7360 -9.2107 -9.2107 -9.2105 -9.2105 -9.1412 -9.1412 -9.1063 -9.1063 -8.3639 -8.3639 -8.3636 -8.3636 -8.3346 -8.3346 -8.3311 -8.3311 -8.3069 -8.3069 -8.2775 -8.2775 -0.5801 -0.5801 -0.3406 -0.3406 2.3597 2.3597 2.5405 2.5405 2.7435 2.7435 2.8617 2.8617 4.2130 4.2130 4.6528 4.6528 6.6628 6.6628 7.4509 7.4509 8.9705 8.9705 9.0851 9.0851 k =-0.5000 0.1800 0.5732 ( 5282 PWs) bands (ev): -9.7713 -9.7713 -9.7346 -9.7346 -9.2108 -9.2108 -9.2106 -9.2106 -9.1444 -9.1444 -9.1028 -9.1028 -8.3639 -8.3639 -8.3636 -8.3636 -8.3353 -8.3353 -8.3312 -8.3312 -8.3089 -8.3089 -8.2739 -8.2739 -0.5903 -0.5903 -0.3030 -0.3030 2.3315 2.3315 2.5401 2.5401 2.7269 2.7269 2.8669 2.8669 4.1870 4.1870 4.7012 4.7012 6.5946 6.5946 7.5123 7.5123 8.9804 8.9804 9.1067 9.1067 k =-0.5000 0.1800 0.5527 ( 5290 PWs) bands (ev): -9.7760 -9.7760 -9.7333 -9.7333 -9.2110 -9.2110 -9.2106 -9.2106 -9.1474 -9.1474 -9.0994 -9.0994 -8.3640 -8.3640 -8.3636 -8.3636 -8.3361 -8.3361 -8.3313 -8.3313 -8.3106 -8.3106 -8.2702 -8.2702 -0.5982 -0.5982 -0.2629 -0.2629 2.3025 2.3025 2.5339 2.5339 2.7114 2.7114 2.8717 2.8717 4.1648 4.1648 4.7452 4.7452 6.5346 6.5346 7.5652 7.5652 8.9955 8.9955 9.1270 9.1270 k =-0.5000 0.1800 0.5322 ( 5294 PWs) bands (ev): -9.7810 -9.7810 -9.7324 -9.7324 -9.2110 -9.2110 -9.2107 -9.2107 -9.1504 -9.1504 -9.0961 -9.0961 -8.3641 -8.3641 -8.3636 -8.3636 -8.3368 -8.3368 -8.3314 -8.3314 -8.3121 -8.3121 -8.2665 -8.2665 -0.6038 -0.6038 -0.2206 -0.2206 2.2727 2.2727 2.5217 2.5217 2.6978 2.6978 2.8762 2.8762 4.1462 4.1462 4.7828 4.7828 6.4848 6.4848 7.6086 7.6086 9.0160 9.0160 9.1467 9.1467 k =-0.5000 0.1800 0.5118 ( 5294 PWs) bands (ev): -9.7861 -9.7861 -9.7317 -9.7317 -9.2112 -9.2112 -9.2107 -9.2107 -9.1531 -9.1531 -9.0928 -9.0928 -8.3641 -8.3641 -8.3635 -8.3635 -8.3377 -8.3377 -8.3316 -8.3316 -8.3132 -8.3132 -8.2628 -8.2628 -0.6072 -0.6072 -0.1760 -0.1760 2.2423 2.2423 2.5038 2.5038 2.6860 2.6860 2.8806 2.8806 4.1309 4.1309 4.8117 4.8117 6.4475 6.4475 7.6416 7.6416 9.0424 9.0424 9.1678 9.1678 k =-0.5000 0.1800 0.4913 ( 5290 PWs) bands (ev): -9.7914 -9.7914 -9.7312 -9.7312 -9.2112 -9.2112 -9.2107 -9.2107 -9.1557 -9.1557 -9.0896 -9.0896 -8.3641 -8.3641 -8.3635 -8.3635 -8.3385 -8.3385 -8.3318 -8.3318 -8.3142 -8.3142 -8.2590 -8.2590 -0.6085 -0.6085 -0.1294 -0.1294 2.2114 2.2114 2.4811 2.4811 2.6755 2.6755 2.8849 2.8849 4.1186 4.1186 4.8297 4.8297 6.4249 6.4249 7.6640 7.6640 9.0749 9.0749 9.1923 9.1923 k =-0.5000 0.1800 0.4708 ( 5286 PWs) bands (ev): -9.7968 -9.7968 -9.7310 -9.7310 -9.2112 -9.2112 -9.2107 -9.2107 -9.1582 -9.1582 -9.0865 -9.0865 -8.3641 -8.3641 -8.3634 -8.3634 -8.3394 -8.3394 -8.3321 -8.3321 -8.3150 -8.3150 -8.2553 -8.2553 -0.6078 -0.6078 -0.0807 -0.0807 2.1801 2.1801 2.4547 2.4547 2.6659 2.6659 2.8892 2.8892 4.1090 4.1090 4.8351 4.8351 6.4188 6.4188 7.6760 7.6760 9.1134 9.1134 9.2218 9.2218 k =-0.5000 0.1800 0.4504 ( 5282 PWs) bands (ev): -9.8022 -9.8022 -9.7309 -9.7309 -9.2113 -9.2113 -9.2107 -9.2107 -9.1605 -9.1605 -9.0835 -9.0835 -8.3642 -8.3642 -8.3634 -8.3634 -8.3403 -8.3403 -8.3324 -8.3324 -8.3156 -8.3156 -8.2515 -8.2515 -0.6051 -0.6051 -0.0301 -0.0301 2.1485 2.1485 2.4258 2.4258 2.6565 2.6565 2.8934 2.8934 4.1019 4.1019 4.8269 4.8269 6.4302 6.4302 7.6784 7.6784 9.1575 9.1575 9.2568 9.2568 k =-0.5000 0.1800 0.4299 ( 5288 PWs) bands (ev): -9.8077 -9.8077 -9.7310 -9.7310 -9.2115 -9.2115 -9.2108 -9.2108 -9.1627 -9.1627 -9.0808 -9.0808 -8.3643 -8.3643 -8.3634 -8.3634 -8.3412 -8.3412 -8.3328 -8.3328 -8.3160 -8.3160 -8.2479 -8.2479 -0.6007 -0.6007 0.0222 0.0222 2.1169 2.1169 2.3951 2.3951 2.6471 2.6471 2.8975 2.8975 4.0967 4.0967 4.8050 4.8050 6.4589 6.4589 7.6724 7.6724 9.2064 9.2064 9.2973 9.2973 k =-0.5000 0.1800 0.4094 ( 5278 PWs) bands (ev): -9.8133 -9.8133 -9.7313 -9.7313 -9.2116 -9.2116 -9.2107 -9.2107 -9.1647 -9.1647 -9.0780 -9.0780 -8.3643 -8.3643 -8.3634 -8.3634 -8.3420 -8.3420 -8.3332 -8.3332 -8.3163 -8.3163 -8.2442 -8.2442 -0.5946 -0.5946 0.0761 0.0761 2.0852 2.0852 2.3636 2.3636 2.6374 2.6374 2.9015 2.9015 4.0933 4.0933 4.7706 4.7706 6.5042 6.5042 7.6595 7.6595 9.2595 9.2595 9.3427 9.3427 k =-0.5000 0.1800 0.3889 ( 5282 PWs) bands (ev): -9.8188 -9.8188 -9.7317 -9.7317 -9.2118 -9.2118 -9.2107 -9.2107 -9.1666 -9.1666 -9.0755 -9.0755 -8.3644 -8.3644 -8.3634 -8.3634 -8.3428 -8.3428 -8.3336 -8.3336 -8.3165 -8.3165 -8.2407 -8.2407 -0.5870 -0.5870 0.1314 0.1314 2.0536 2.0536 2.3318 2.3318 2.6273 2.6273 2.9053 2.9053 4.0913 4.0913 4.7252 4.7252 6.5643 6.5643 7.6411 7.6411 9.3160 9.3160 9.3920 9.3920 k =-0.5000 0.1800 0.3685 ( 5280 PWs) bands (ev): -9.8243 -9.8243 -9.7323 -9.7323 -9.2118 -9.2118 -9.2108 -9.2108 -9.1684 -9.1684 -9.0731 -9.0731 -8.3645 -8.3645 -8.3634 -8.3634 -8.3435 -8.3435 -8.3340 -8.3340 -8.3166 -8.3166 -8.2372 -8.2372 -0.5781 -0.5781 0.1878 0.1878 2.0222 2.0222 2.3001 2.3001 2.6170 2.6170 2.9089 2.9089 4.0905 4.0905 4.6709 4.6709 6.6373 6.6373 7.6185 7.6185 9.3754 9.3754 9.4440 9.4440 k =-0.5000 0.1800 0.3480 ( 5270 PWs) bands (ev): -9.8298 -9.8298 -9.7329 -9.7329 -9.2119 -9.2119 -9.2107 -9.2107 -9.1699 -9.1699 -9.0708 -9.0708 -8.3645 -8.3645 -8.3634 -8.3634 -8.3441 -8.3441 -8.3344 -8.3344 -8.3166 -8.3166 -8.2338 -8.2338 -0.5679 -0.5679 0.2453 0.2453 1.9913 1.9913 2.2690 2.2690 2.6063 2.6063 2.9122 2.9122 4.0904 4.0904 4.6095 4.6095 6.7212 6.7212 7.5932 7.5932 9.4375 9.4375 9.4972 9.4972 k =-0.5000 0.1800 0.3275 ( 5282 PWs) bands (ev): -9.8351 -9.8351 -9.7337 -9.7337 -9.2121 -9.2121 -9.2108 -9.2108 -9.1715 -9.1715 -9.0687 -9.0687 -8.3647 -8.3647 -8.3635 -8.3635 -8.3447 -8.3447 -8.3349 -8.3349 -8.3167 -8.3167 -8.2306 -8.2306 -0.5568 -0.5568 0.3034 0.3034 1.9608 1.9608 2.2389 2.2389 2.5955 2.5955 2.9154 2.9154 4.0909 4.0909 4.5432 4.5432 6.8140 6.8140 7.5663 7.5663 9.5018 9.5018 9.5505 9.5505 k =-0.5000 0.1800 0.3071 ( 5278 PWs) bands (ev): -9.8403 -9.8403 -9.7345 -9.7345 -9.2122 -9.2122 -9.2108 -9.2108 -9.1729 -9.1729 -9.0667 -9.0667 -8.3648 -8.3648 -8.3635 -8.3635 -8.3452 -8.3452 -8.3354 -8.3354 -8.3166 -8.3166 -8.2274 -8.2274 -0.5447 -0.5447 0.3619 0.3619 1.9309 1.9309 2.2099 2.2099 2.5845 2.5845 2.9184 2.9184 4.0914 4.0914 4.4736 4.4736 6.9137 6.9137 7.5393 7.5393 9.5681 9.5681 9.6027 9.6027 k =-0.5000 0.1800 0.2866 ( 5276 PWs) bands (ev): -9.8453 -9.8453 -9.7353 -9.7353 -9.2123 -9.2123 -9.2108 -9.2108 -9.1741 -9.1741 -9.0649 -9.0649 -8.3650 -8.3650 -8.3635 -8.3635 -8.3455 -8.3455 -8.3358 -8.3358 -8.3166 -8.3166 -8.2244 -8.2244 -0.5321 -0.5321 0.4205 0.4205 1.9020 1.9020 2.1823 2.1823 2.5734 2.5734 2.9212 2.9212 4.0914 4.0914 4.4027 4.4027 7.0181 7.0181 7.5137 7.5137 9.6355 9.6355 9.6535 9.6535 k =-0.5000 0.1800 0.2661 ( 5280 PWs) bands (ev): -9.8501 -9.8501 -9.7362 -9.7362 -9.2124 -9.2124 -9.2109 -9.2109 -9.1752 -9.1752 -9.0632 -9.0632 -8.3652 -8.3652 -8.3636 -8.3636 -8.3459 -8.3459 -8.3363 -8.3363 -8.3165 -8.3165 -8.2216 -8.2216 -0.5190 -0.5190 0.4787 0.4787 1.8740 1.8740 2.1562 2.1562 2.5623 2.5623 2.9239 2.9239 4.0901 4.0901 4.3324 4.3324 7.1237 7.1237 7.4927 7.4927 9.6959 9.6959 9.7097 9.7097 k =-0.5000 0.1800 0.2456 ( 5286 PWs) bands (ev): -9.8547 -9.8547 -9.7371 -9.7371 -9.2125 -9.2125 -9.2109 -9.2109 -9.1763 -9.1763 -9.0616 -9.0616 -8.3654 -8.3654 -8.3637 -8.3637 -8.3461 -8.3461 -8.3367 -8.3367 -8.3165 -8.3165 -8.2190 -8.2190 -0.5057 -0.5057 0.5363 0.5363 1.8472 1.8472 2.1319 2.1319 2.5513 2.5513 2.9266 2.9266 4.0851 4.0851 4.2659 4.2659 7.2226 7.2226 7.4835 7.4835 9.7411 9.7411 9.7782 9.7782 k =-0.5000 0.1800 0.2252 ( 5288 PWs) bands (ev): -9.8590 -9.8590 -9.7380 -9.7380 -9.2127 -9.2127 -9.2109 -9.2109 -9.1772 -9.1772 -9.0602 -9.0602 -8.3655 -8.3655 -8.3638 -8.3638 -8.3464 -8.3464 -8.3372 -8.3372 -8.3163 -8.3163 -8.2165 -8.2165 -0.4923 -0.4923 0.5926 0.5926 1.8218 1.8218 2.1093 2.1093 2.5405 2.5405 2.9292 2.9292 4.0715 4.0715 4.2092 4.2092 7.2942 7.2942 7.5064 7.5064 9.7807 9.7807 9.8480 9.8480 k =-0.5000 0.1800 0.2047 ( 5280 PWs) bands (ev): -9.8631 -9.8631 -9.7389 -9.7389 -9.2127 -9.2127 -9.2109 -9.2109 -9.1779 -9.1779 -9.0589 -9.0589 -8.3657 -8.3657 -8.3638 -8.3638 -8.3464 -8.3464 -8.3375 -8.3375 -8.3161 -8.3161 -8.2141 -8.2141 -0.4791 -0.4791 0.6472 0.6472 1.7980 1.7980 2.0886 2.0886 2.5299 2.5299 2.9319 2.9319 4.0410 4.0410 4.1713 4.1713 7.3183 7.3183 7.5811 7.5811 9.8153 9.8153 9.9165 9.9165 k =-0.5000 0.1800 0.1842 ( 5286 PWs) bands (ev): -9.8668 -9.8668 -9.7398 -9.7398 -9.2129 -9.2129 -9.2109 -9.2109 -9.1786 -9.1786 -9.0578 -9.0578 -8.3658 -8.3658 -8.3640 -8.3640 -8.3465 -8.3465 -8.3379 -8.3379 -8.3160 -8.3160 -8.2121 -8.2121 -0.4664 -0.4664 0.6995 0.6995 1.7760 1.7760 2.0698 2.0698 2.5196 2.5196 2.9346 2.9346 3.9930 3.9930 4.1536 4.1536 7.3134 7.3134 7.6884 7.6884 9.8442 9.8442 9.9798 9.9798 k =-0.5000 0.1800 0.1638 ( 5280 PWs) bands (ev): -9.8702 -9.8702 -9.7406 -9.7406 -9.2129 -9.2129 -9.2109 -9.2109 -9.1792 -9.1792 -9.0568 -9.0568 -8.3660 -8.3660 -8.3640 -8.3640 -8.3465 -8.3465 -8.3383 -8.3383 -8.3159 -8.3159 -8.2101 -8.2101 -0.4543 -0.4543 0.7488 0.7488 1.7560 1.7560 2.0530 2.0530 2.5097 2.5097 2.9374 2.9374 3.9378 3.9378 4.1468 4.1468 7.2992 7.2992 7.8080 7.8080 9.8668 9.8668 10.0140 10.0140 k =-0.5000 0.1800 0.1433 ( 5272 PWs) bands (ev): -9.8733 -9.8733 -9.7413 -9.7413 -9.2128 -9.2128 -9.2109 -9.2109 -9.1798 -9.1798 -9.0558 -9.0558 -8.3661 -8.3661 -8.3639 -8.3639 -8.3465 -8.3465 -8.3385 -8.3385 -8.3158 -8.3158 -8.2084 -8.2084 -0.4430 -0.4430 0.7946 0.7946 1.7382 1.7382 2.0382 2.0382 2.5004 2.5004 2.9403 2.9403 3.8824 3.8824 4.1446 4.1446 7.2829 7.2829 7.9316 7.9316 9.8823 9.8823 10.0154 10.0154 k =-0.5000 0.1800 0.1228 ( 5274 PWs) bands (ev): -9.8760 -9.8760 -9.7419 -9.7419 -9.2129 -9.2129 -9.2110 -9.2110 -9.1802 -9.1802 -9.0550 -9.0550 -8.3663 -8.3663 -8.3640 -8.3640 -8.3465 -8.3465 -8.3388 -8.3388 -8.3157 -8.3157 -8.2068 -8.2068 -0.4327 -0.4327 0.8361 0.8361 1.7226 1.7226 2.0254 2.0254 2.4917 2.4917 2.9432 2.9432 3.8304 3.8304 4.1441 4.1441 7.2671 7.2671 8.0553 8.0553 9.8904 9.8904 10.0061 10.0061 k =-0.5000 0.1800 0.1024 ( 5276 PWs) bands (ev): -9.8783 -9.8783 -9.7425 -9.7425 -9.2130 -9.2130 -9.2109 -9.2109 -9.1806 -9.1806 -9.0544 -9.0544 -8.3663 -8.3663 -8.3641 -8.3641 -8.3465 -8.3465 -8.3391 -8.3391 -8.3155 -8.3155 -8.2056 -8.2056 -0.4237 -0.4237 0.8726 0.8726 1.7094 1.7094 2.0147 2.0147 2.4839 2.4839 2.9461 2.9461 3.7837 3.7837 4.1445 4.1445 7.2528 7.2528 8.1761 8.1761 9.8910 9.8910 9.9798 9.9798 k =-0.5000 0.1800 0.0819 ( 5280 PWs) bands (ev): -9.8802 -9.8802 -9.7430 -9.7430 -9.2131 -9.2131 -9.2110 -9.2110 -9.1809 -9.1809 -9.0539 -9.0539 -8.3664 -8.3664 -8.3642 -8.3642 -8.3465 -8.3465 -8.3394 -8.3394 -8.3155 -8.3155 -8.2046 -8.2046 -0.4160 -0.4160 0.9035 0.9035 1.6987 1.6987 2.0059 2.0059 2.4771 2.4771 2.9488 2.9488 3.7436 3.7436 4.1451 4.1451 7.2406 7.2406 8.2902 8.2902 9.8790 9.8790 9.9328 9.9328 k =-0.5000 0.1800 0.0614 ( 5290 PWs) bands (ev): -9.8817 -9.8817 -9.7434 -9.7434 -9.2132 -9.2132 -9.2111 -9.2111 -9.1812 -9.1812 -9.0535 -9.0535 -8.3666 -8.3666 -8.3643 -8.3643 -8.3465 -8.3465 -8.3396 -8.3396 -8.3154 -8.3154 -8.2038 -8.2038 -0.4099 -0.4099 0.9282 0.9282 1.6903 1.6903 1.9991 1.9991 2.4716 2.4716 2.9512 2.9512 3.7113 3.7113 4.1458 4.1458 7.2308 7.2308 8.3928 8.3928 9.8281 9.8281 9.9051 9.9051 k =-0.5000 0.1800 0.0409 ( 5288 PWs) bands (ev): -9.8828 -9.8828 -9.7437 -9.7437 -9.2132 -9.2132 -9.2111 -9.2111 -9.1814 -9.1814 -9.0532 -9.0532 -8.3667 -8.3667 -8.3643 -8.3643 -8.3464 -8.3464 -8.3397 -8.3397 -8.3154 -8.3154 -8.2032 -8.2032 -0.4055 -0.4055 0.9462 0.9462 1.6845 1.6845 1.9943 1.9943 2.4675 2.4675 2.9531 2.9531 3.6875 3.6875 4.1464 4.1464 7.2237 7.2237 8.4768 8.4768 9.7613 9.7613 9.8972 9.8972 k =-0.5000 0.1800 0.0205 ( 5276 PWs) bands (ev): -9.8834 -9.8834 -9.7438 -9.7438 -9.2131 -9.2131 -9.2110 -9.2110 -9.1814 -9.1814 -9.0530 -9.0530 -8.3666 -8.3666 -8.3643 -8.3643 -8.3464 -8.3464 -8.3397 -8.3397 -8.3153 -8.3153 -8.2028 -8.2028 -0.4028 -0.4028 0.9572 0.9572 1.6810 1.6810 1.9914 1.9914 2.4649 2.4649 2.9543 2.9543 3.6729 3.6729 4.1468 4.1468 7.2194 7.2194 8.5333 8.5333 9.7117 9.7117 9.8937 9.8937 k =-0.5000 0.1800 0.0000 ( 5280 PWs) bands (ev): -9.8836 -9.8836 -9.7439 -9.7439 -9.2132 -9.2132 -9.2109 -9.2109 -9.1814 -9.1814 -9.0530 -9.0530 -8.3665 -8.3665 -8.3644 -8.3644 -8.3464 -8.3464 -8.3398 -8.3398 -8.3152 -8.3152 -8.2027 -8.2027 -0.4019 -0.4019 0.9609 0.9609 1.6798 1.6798 1.9905 1.9905 2.4641 2.4641 2.9547 2.9547 3.6680 3.6680 4.1469 4.1469 7.2180 7.2180 8.5535 8.5535 9.6936 9.6936 9.8925 9.8925 k = 0.0000 0.0000 0.6960 ( 5312 PWs) bands (ev): -9.7719 -9.7719 -9.7719 -9.7719 -9.2134 -9.2134 -9.2134 -9.2134 -9.1124 -9.1124 -9.1124 -9.1124 -8.3650 -8.3650 -8.3650 -8.3650 -8.3401 -8.3401 -8.3401 -8.3401 -8.2675 -8.2675 -8.2675 -8.2675 -0.1131 -0.1131 -0.1131 -0.1131 1.8845 1.8845 1.8845 1.8845 2.6590 2.6590 2.6590 2.6590 4.2747 4.2747 4.2747 4.2747 7.3922 7.3922 7.3922 7.3922 8.6351 8.6351 8.6351 8.6351 k =-0.0192 0.0069 0.6960 ( 5308 PWs) bands (ev): -9.7718 -9.7718 -9.7718 -9.7718 -9.2134 -9.2134 -9.2134 -9.2134 -9.1125 -9.1125 -9.1125 -9.1125 -8.3650 -8.3650 -8.3650 -8.3650 -8.3401 -8.3401 -8.3401 -8.3401 -8.2676 -8.2676 -8.2676 -8.2676 -0.1149 -0.1149 -0.1149 -0.1149 1.8876 1.8876 1.8876 1.8876 2.6590 2.6590 2.6590 2.6590 4.2748 4.2748 4.2748 4.2748 7.3921 7.3921 7.3921 7.3921 8.6363 8.6363 8.6363 8.6363 k =-0.0385 0.0138 0.6960 ( 5296 PWs) bands (ev): -9.7715 -9.7715 -9.7715 -9.7715 -9.2134 -9.2134 -9.2134 -9.2134 -9.1125 -9.1125 -9.1125 -9.1125 -8.3650 -8.3650 -8.3650 -8.3650 -8.3400 -8.3400 -8.3400 -8.3400 -8.2678 -8.2678 -8.2678 -8.2678 -0.1203 -0.1203 -0.1203 -0.1203 1.8969 1.8969 1.8969 1.8969 2.6590 2.6590 2.6590 2.6590 4.2752 4.2752 4.2752 4.2752 7.3916 7.3916 7.3916 7.3916 8.6399 8.6399 8.6399 8.6399 k =-0.0577 0.0208 0.6960 ( 5288 PWs) bands (ev): -9.7711 -9.7711 -9.7711 -9.7711 -9.2133 -9.2133 -9.2133 -9.2133 -9.1126 -9.1126 -9.1126 -9.1126 -8.3649 -8.3649 -8.3649 -8.3649 -8.3398 -8.3398 -8.3398 -8.3398 -8.2682 -8.2682 -8.2682 -8.2682 -0.1291 -0.1291 -0.1291 -0.1291 1.9120 1.9120 1.9120 1.9120 2.6591 2.6591 2.6591 2.6591 4.2758 4.2758 4.2758 4.2758 7.3906 7.3906 7.3906 7.3906 8.6458 8.6458 8.6458 8.6458 k =-0.0769 0.0277 0.6960 ( 5280 PWs) bands (ev): -9.7705 -9.7705 -9.7705 -9.7705 -9.2132 -9.2132 -9.2132 -9.2132 -9.1129 -9.1129 -9.1129 -9.1129 -8.3648 -8.3648 -8.3648 -8.3648 -8.3397 -8.3397 -8.3397 -8.3397 -8.2687 -8.2687 -8.2687 -8.2687 -0.1411 -0.1411 -0.1411 -0.1411 1.9327 1.9327 1.9327 1.9327 2.6592 2.6592 2.6592 2.6592 4.2768 4.2768 4.2768 4.2768 7.3891 7.3891 7.3891 7.3891 8.6540 8.6540 8.6540 8.6540 k =-0.0962 0.0346 0.6960 ( 5284 PWs) bands (ev): -9.7698 -9.7698 -9.7698 -9.7698 -9.2131 -9.2131 -9.2131 -9.2131 -9.1132 -9.1132 -9.1132 -9.1132 -8.3648 -8.3648 -8.3648 -8.3648 -8.3395 -8.3395 -8.3395 -8.3395 -8.2695 -8.2695 -8.2695 -8.2695 -0.1558 -0.1558 -0.1558 -0.1558 1.9584 1.9584 1.9584 1.9584 2.6594 2.6594 2.6594 2.6594 4.2782 4.2782 4.2782 4.2782 7.3868 7.3868 7.3868 7.3868 8.6643 8.6643 8.6643 8.6643 k =-0.1154 0.0415 0.6960 ( 5284 PWs) bands (ev): -9.7689 -9.7689 -9.7689 -9.7689 -9.2130 -9.2130 -9.2130 -9.2130 -9.1137 -9.1137 -9.1137 -9.1137 -8.3648 -8.3648 -8.3648 -8.3648 -8.3393 -8.3393 -8.3393 -8.3393 -8.2704 -8.2704 -8.2704 -8.2704 -0.1730 -0.1730 -0.1730 -0.1730 1.9887 1.9887 1.9887 1.9887 2.6598 2.6598 2.6598 2.6598 4.2799 4.2799 4.2799 4.2799 7.3836 7.3836 7.3836 7.3836 8.6766 8.6766 8.6766 8.6766 k =-0.1346 0.0485 0.6960 ( 5276 PWs) bands (ev): -9.7679 -9.7679 -9.7679 -9.7679 -9.2129 -9.2129 -9.2129 -9.2129 -9.1141 -9.1141 -9.1141 -9.1141 -8.3648 -8.3648 -8.3648 -8.3648 -8.3390 -8.3390 -8.3390 -8.3390 -8.2714 -8.2714 -8.2714 -8.2714 -0.1922 -0.1922 -0.1922 -0.1922 2.0227 2.0227 2.0227 2.0227 2.6605 2.6605 2.6605 2.6605 4.2821 4.2821 4.2821 4.2821 7.3791 7.3791 7.3791 7.3791 8.6909 8.6909 8.6909 8.6909 k =-0.1538 0.0554 0.6960 ( 5280 PWs) bands (ev): -9.7668 -9.7668 -9.7668 -9.7668 -9.2128 -9.2128 -9.2128 -9.2128 -9.1146 -9.1146 -9.1146 -9.1146 -8.3647 -8.3647 -8.3647 -8.3647 -8.3388 -8.3388 -8.3388 -8.3388 -8.2726 -8.2726 -8.2726 -8.2726 -0.2130 -0.2130 -0.2130 -0.2130 2.0597 2.0597 2.0597 2.0597 2.6615 2.6615 2.6615 2.6615 4.2849 4.2849 4.2849 4.2849 7.3730 7.3730 7.3730 7.3730 8.7069 8.7069 8.7069 8.7069 k =-0.1731 0.0623 0.6960 ( 5266 PWs) bands (ev): -9.7656 -9.7656 -9.7656 -9.7656 -9.2126 -9.2126 -9.2126 -9.2126 -9.1152 -9.1152 -9.1152 -9.1152 -8.3646 -8.3646 -8.3646 -8.3646 -8.3384 -8.3384 -8.3384 -8.3384 -8.2738 -8.2738 -8.2738 -8.2738 -0.2349 -0.2349 -0.2349 -0.2349 2.0991 2.0991 2.0991 2.0991 2.6631 2.6631 2.6631 2.6631 4.2883 4.2883 4.2883 4.2883 7.3652 7.3652 7.3652 7.3652 8.7244 8.7244 8.7244 8.7244 k =-0.1923 0.0692 0.6960 ( 5254 PWs) bands (ev): -9.7642 -9.7642 -9.7642 -9.7642 -9.2124 -9.2124 -9.2124 -9.2124 -9.1157 -9.1157 -9.1157 -9.1157 -8.3645 -8.3645 -8.3645 -8.3645 -8.3380 -8.3380 -8.3380 -8.3380 -8.2751 -8.2751 -8.2751 -8.2751 -0.2575 -0.2575 -0.2575 -0.2575 2.1399 2.1399 2.1399 2.1399 2.6654 2.6654 2.6654 2.6654 4.2923 4.2923 4.2923 4.2923 7.3552 7.3552 7.3552 7.3552 8.7432 8.7432 8.7432 8.7432 k =-0.2115 0.0761 0.6960 ( 5254 PWs) bands (ev): -9.7629 -9.7629 -9.7629 -9.7629 -9.2123 -9.2123 -9.2123 -9.2123 -9.1164 -9.1164 -9.1164 -9.1164 -8.3645 -8.3645 -8.3645 -8.3645 -8.3376 -8.3376 -8.3376 -8.3376 -8.2765 -8.2765 -8.2765 -8.2765 -0.2805 -0.2805 -0.2805 -0.2805 2.1813 2.1813 2.1813 2.1813 2.6685 2.6685 2.6685 2.6685 4.2971 4.2971 4.2971 4.2971 7.3430 7.3430 7.3430 7.3430 8.7631 8.7631 8.7631 8.7631 k =-0.2308 0.0831 0.6960 ( 5262 PWs) bands (ev): -9.7615 -9.7615 -9.7615 -9.7615 -9.2121 -9.2121 -9.2121 -9.2121 -9.1171 -9.1171 -9.1171 -9.1171 -8.3644 -8.3644 -8.3644 -8.3644 -8.3372 -8.3372 -8.3372 -8.3372 -8.2781 -8.2781 -8.2781 -8.2781 -0.3034 -0.3034 -0.3034 -0.3034 2.2224 2.2224 2.2224 2.2224 2.6727 2.6727 2.6727 2.6727 4.3026 4.3026 4.3026 4.3026 7.3283 7.3283 7.3283 7.3283 8.7838 8.7838 8.7838 8.7838 k =-0.2500 0.0900 0.6960 ( 5272 PWs) bands (ev): -9.7600 -9.7600 -9.7600 -9.7600 -9.2120 -9.2120 -9.2120 -9.2120 -9.1179 -9.1179 -9.1179 -9.1179 -8.3644 -8.3644 -8.3644 -8.3644 -8.3369 -8.3369 -8.3369 -8.3369 -8.2797 -8.2797 -8.2797 -8.2797 -0.3260 -0.3260 -0.3260 -0.3260 2.2622 2.2622 2.2622 2.2622 2.6783 2.6783 2.6783 2.6783 4.3089 4.3089 4.3089 4.3089 7.3112 7.3112 7.3112 7.3112 8.8049 8.8049 8.8049 8.8049 k =-0.2692 0.0969 0.6960 ( 5272 PWs) bands (ev): -9.7586 -9.7586 -9.7586 -9.7586 -9.2119 -9.2119 -9.2119 -9.2119 -9.1186 -9.1186 -9.1186 -9.1186 -8.3643 -8.3643 -8.3643 -8.3643 -8.3364 -8.3364 -8.3364 -8.3364 -8.2813 -8.2813 -8.2813 -8.2813 -0.3479 -0.3479 -0.3479 -0.3479 2.2999 2.2999 2.2999 2.2999 2.6856 2.6856 2.6856 2.6856 4.3160 4.3160 4.3160 4.3160 7.2917 7.2917 7.2917 7.2917 8.8262 8.8262 8.8262 8.8262 k =-0.2885 0.1038 0.6960 ( 5280 PWs) bands (ev): -9.7572 -9.7572 -9.7572 -9.7572 -9.2117 -9.2117 -9.2117 -9.2117 -9.1194 -9.1194 -9.1194 -9.1194 -8.3643 -8.3643 -8.3643 -8.3643 -8.3360 -8.3360 -8.3360 -8.3360 -8.2830 -8.2830 -8.2830 -8.2830 -0.3690 -0.3690 -0.3690 -0.3690 2.3346 2.3346 2.3346 2.3346 2.6947 2.6947 2.6947 2.6947 4.3239 4.3239 4.3239 4.3239 7.2700 7.2700 7.2700 7.2700 8.8474 8.8474 8.8474 8.8474 k =-0.3077 0.1108 0.6960 ( 5284 PWs) bands (ev): -9.7558 -9.7558 -9.7558 -9.7558 -9.2116 -9.2116 -9.2116 -9.2116 -9.1201 -9.1201 -9.1201 -9.1201 -8.3642 -8.3642 -8.3642 -8.3642 -8.3355 -8.3355 -8.3355 -8.3355 -8.2846 -8.2846 -8.2846 -8.2846 -0.3888 -0.3888 -0.3888 -0.3888 2.3657 2.3657 2.3657 2.3657 2.7058 2.7058 2.7058 2.7058 4.3324 4.3324 4.3324 4.3324 7.2464 7.2464 7.2464 7.2464 8.8682 8.8682 8.8682 8.8682 k =-0.3269 0.1177 0.6960 ( 5296 PWs) bands (ev): -9.7544 -9.7544 -9.7544 -9.7544 -9.2115 -9.2115 -9.2115 -9.2115 -9.1209 -9.1209 -9.1209 -9.1209 -8.3642 -8.3642 -8.3642 -8.3642 -8.3351 -8.3351 -8.3351 -8.3351 -8.2862 -8.2862 -8.2862 -8.2862 -0.4074 -0.4074 -0.4074 -0.4074 2.3925 2.3925 2.3925 2.3925 2.7189 2.7189 2.7189 2.7189 4.3414 4.3414 4.3414 4.3414 7.2216 7.2216 7.2216 7.2216 8.8882 8.8882 8.8882 8.8882 k =-0.3462 0.1246 0.6960 ( 5290 PWs) bands (ev): -9.7532 -9.7532 -9.7532 -9.7532 -9.2113 -9.2113 -9.2113 -9.2113 -9.1215 -9.1215 -9.1215 -9.1215 -8.3641 -8.3641 -8.3641 -8.3641 -8.3346 -8.3346 -8.3346 -8.3346 -8.2876 -8.2876 -8.2876 -8.2876 -0.4244 -0.4244 -0.4244 -0.4244 2.4150 2.4150 2.4150 2.4150 2.7335 2.7335 2.7335 2.7335 4.3507 4.3507 4.3507 4.3507 7.1961 7.1961 7.1961 7.1961 8.9071 8.9071 8.9071 8.9071 k =-0.3654 0.1315 0.6960 ( 5292 PWs) bands (ev): -9.7520 -9.7520 -9.7520 -9.7520 -9.2111 -9.2111 -9.2111 -9.2111 -9.1221 -9.1221 -9.1221 -9.1221 -8.3641 -8.3641 -8.3641 -8.3641 -8.3342 -8.3342 -8.3342 -8.3342 -8.2890 -8.2890 -8.2890 -8.2890 -0.4397 -0.4397 -0.4397 -0.4397 2.4333 2.4333 2.4333 2.4333 2.7491 2.7491 2.7491 2.7491 4.3601 4.3601 4.3601 4.3601 7.1707 7.1707 7.1707 7.1707 8.9246 8.9246 8.9246 8.9246 k =-0.3846 0.1384 0.6960 ( 5288 PWs) bands (ev): -9.7509 -9.7509 -9.7509 -9.7509 -9.2110 -9.2110 -9.2110 -9.2110 -9.1226 -9.1226 -9.1226 -9.1226 -8.3640 -8.3640 -8.3640 -8.3640 -8.3337 -8.3337 -8.3337 -8.3337 -8.2903 -8.2903 -8.2903 -8.2903 -0.4533 -0.4533 -0.4533 -0.4533 2.4477 2.4477 2.4477 2.4477 2.7648 2.7648 2.7648 2.7648 4.3693 4.3693 4.3693 4.3693 7.1463 7.1463 7.1463 7.1463 8.9405 8.9405 8.9405 8.9405 k =-0.4038 0.1454 0.6960 ( 5288 PWs) bands (ev): -9.7500 -9.7500 -9.7500 -9.7500 -9.2109 -9.2109 -9.2109 -9.2109 -9.1231 -9.1231 -9.1231 -9.1231 -8.3640 -8.3640 -8.3640 -8.3640 -8.3332 -8.3332 -8.3332 -8.3332 -8.2914 -8.2914 -8.2914 -8.2914 -0.4649 -0.4649 -0.4649 -0.4649 2.4588 2.4588 2.4588 2.4588 2.7799 2.7799 2.7799 2.7799 4.3779 4.3779 4.3779 4.3779 7.1237 7.1237 7.1237 7.1237 8.9544 8.9544 8.9544 8.9544 k =-0.4231 0.1523 0.6960 ( 5288 PWs) bands (ev): -9.7493 -9.7493 -9.7493 -9.7493 -9.2108 -9.2108 -9.2108 -9.2108 -9.1235 -9.1235 -9.1235 -9.1235 -8.3639 -8.3639 -8.3639 -8.3639 -8.3328 -8.3328 -8.3328 -8.3328 -8.2924 -8.2924 -8.2924 -8.2924 -0.4745 -0.4745 -0.4745 -0.4745 2.4671 2.4671 2.4671 2.4671 2.7934 2.7934 2.7934 2.7934 4.3856 4.3856 4.3856 4.3856 7.1038 7.1038 7.1038 7.1038 8.9661 8.9661 8.9661 8.9661 k =-0.4423 0.1592 0.6960 ( 5292 PWs) bands (ev): -9.7486 -9.7486 -9.7486 -9.7486 -9.2107 -9.2107 -9.2107 -9.2107 -9.1238 -9.1238 -9.1238 -9.1238 -8.3639 -8.3639 -8.3639 -8.3639 -8.3325 -8.3325 -8.3325 -8.3325 -8.2933 -8.2933 -8.2933 -8.2933 -0.4821 -0.4821 -0.4821 -0.4821 2.4731 2.4731 2.4731 2.4731 2.8046 2.8046 2.8046 2.8046 4.3920 4.3920 4.3920 4.3920 7.0874 7.0874 7.0874 7.0874 8.9755 8.9755 8.9755 8.9755 k =-0.4615 0.1661 0.6960 ( 5272 PWs) bands (ev): -9.7482 -9.7482 -9.7482 -9.7482 -9.2106 -9.2106 -9.2106 -9.2106 -9.1239 -9.1239 -9.1239 -9.1239 -8.3639 -8.3639 -8.3639 -8.3639 -8.3322 -8.3322 -8.3322 -8.3322 -8.2936 -8.2936 -8.2936 -8.2936 -0.4875 -0.4875 -0.4875 -0.4875 2.4770 2.4770 2.4770 2.4770 2.8131 2.8131 2.8131 2.8131 4.3969 4.3969 4.3969 4.3969 7.0752 7.0752 7.0752 7.0752 8.9823 8.9823 8.9823 8.9823 k =-0.4808 0.1731 0.6960 ( 5280 PWs) bands (ev): -9.7479 -9.7479 -9.7479 -9.7479 -9.2106 -9.2106 -9.2106 -9.2106 -9.1241 -9.1241 -9.1241 -9.1241 -8.3638 -8.3638 -8.3638 -8.3638 -8.3321 -8.3321 -8.3321 -8.3321 -8.2941 -8.2941 -8.2941 -8.2941 -0.4908 -0.4908 -0.4908 -0.4908 2.4793 2.4793 2.4793 2.4793 2.8183 2.8183 2.8183 2.8183 4.3999 4.3999 4.3999 4.3999 7.0676 7.0676 7.0676 7.0676 8.9864 8.9864 8.9864 8.9864 k =-0.5000 0.1800 0.6960 ( 5276 PWs) bands (ev): -9.7478 -9.7478 -9.7478 -9.7478 -9.2106 -9.2106 -9.2106 -9.2106 -9.1241 -9.1241 -9.1241 -9.1241 -8.3638 -8.3638 -8.3638 -8.3638 -8.3320 -8.3320 -8.3320 -8.3320 -8.2941 -8.2941 -8.2941 -8.2941 -0.4919 -0.4919 -0.4919 -0.4919 2.4801 2.4801 2.4801 2.4801 2.8201 2.8201 2.8201 2.8201 4.4009 4.4009 4.4009 4.4009 7.0651 7.0651 7.0651 7.0651 8.9878 8.9878 8.9878 8.9878 Writing output data file InBr.save init_run : 3.68s CPU 13.26s WALL ( 1 calls) electrons : 511.71s CPU 518.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.50s CPU 1.43s WALL ( 1 calls) Called by electrons: c_bands : 511.68s CPU 518.29s WALL ( 1 calls) v_of_rho : 0.27s CPU 0.96s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.27s CPU 0.57s WALL ( 1 calls) newd : 0.34s CPU 0.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 370 calls) cegterg : 453.37s CPU 456.47s WALL ( 557 calls) Called by sum_band: Called by *egterg: h_psi : 242.53s CPU 247.87s WALL ( 9338 calls) s_psi : 16.52s CPU 17.02s WALL ( 9338 calls) g_psi : 0.66s CPU 0.69s WALL ( 8411 calls) cdiaghg : 129.80s CPU 128.14s WALL ( 8781 calls) cegterg:over : 44.36s CPU 41.83s WALL ( 8411 calls) cegterg:upda : 10.11s CPU 12.75s WALL ( 8411 calls) cegterg:last : 9.05s CPU 9.73s WALL ( 1667 calls) Called by h_psi: h_psi:vloc : 207.67s CPU 211.93s WALL ( 9338 calls) h_psi:vnl : 34.56s CPU 35.24s WALL ( 9338 calls) add_vuspsi : 10.26s CPU 13.25s WALL ( 9338 calls) General routines calbec : 24.27s CPU 21.91s WALL ( 9338 calls) fft : 0.41s CPU 1.65s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 196.24s CPU 199.94s WALL ( 988024 calls) interpolate : 0.05s CPU 0.07s WALL ( 4 calls) davcio : 0.06s CPU 3.99s WALL ( 740 calls) Parallel routines fft_scatter : 110.37s CPU 112.00s WALL ( 988047 calls) PWSCF : 9m41.11s CPU 11m41.28s WALL This run was terminated on: 6:36: 0 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=