Program PWSCF v.5.1.1 starts on 23Jun2015 at 11:13: 1 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: ./SbF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 34 21 6 1792 888 138 Max 35 22 7 1801 908 143 Sum 1657 1043 307 86197 43091 6715 bravais-lattice index = 14 lattice parameter (alat) = 8.4592 a.u. unit-cell volume = 904.5804 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.459247 celldm(2)= 1.000000 celldm(3)= 1.621824 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.388615 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.388615 0.921400 0.000000 ) a(3) = ( 0.000000 0.000000 1.621824 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.421766 -0.000000 ) b(2) = ( 0.000000 1.085305 -0.000000 ) b(3) = ( 0.000000 0.000000 0.616590 ) PseudoPot. # 1 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 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 1105 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 PseudoPot. # 2 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Sb 5.00 121.76000 Sb( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.8109120 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 366 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0078276 0.0117968 -0.0000000), wk = 0.0027322 k( 3) = ( 0.0156553 0.0235936 -0.0000000), wk = 0.0027322 k( 4) = ( 0.0234829 0.0353904 -0.0000000), wk = 0.0027322 k( 5) = ( 0.0313105 0.0471872 -0.0000000), wk = 0.0027322 k( 6) = ( 0.0391381 0.0589840 -0.0000000), wk = 0.0027322 k( 7) = ( 0.0469658 0.0707808 -0.0000000), wk = 0.0027322 k( 8) = ( 0.0547934 0.0825775 -0.0000000), wk = 0.0027322 k( 9) = ( 0.0626210 0.0943743 -0.0000000), wk = 0.0027322 k( 10) = ( 0.0704487 0.1061711 -0.0000000), wk = 0.0027322 k( 11) = ( 0.0782763 0.1179679 -0.0000000), wk = 0.0027322 k( 12) = ( 0.0861039 0.1297647 -0.0000000), wk = 0.0027322 k( 13) = ( 0.0939316 0.1415615 -0.0000000), wk = 0.0027322 k( 14) = ( 0.1017592 0.1533583 -0.0000000), wk = 0.0027322 k( 15) = ( 0.1095868 0.1651551 -0.0000000), wk = 0.0027322 k( 16) = ( 0.1174144 0.1769519 -0.0000000), wk = 0.0027322 k( 17) = ( 0.1252421 0.1887487 -0.0000000), wk = 0.0027322 k( 18) = ( 0.1330697 0.2005454 -0.0000000), wk = 0.0027322 k( 19) = ( 0.1408973 0.2123422 -0.0000000), wk = 0.0027322 k( 20) = ( 0.1487250 0.2241390 -0.0000000), wk = 0.0027322 k( 21) = ( 0.1565526 0.2359358 -0.0000000), wk = 0.0027322 k( 22) = ( 0.1643802 0.2477326 -0.0000000), wk = 0.0027322 k( 23) = ( 0.1722078 0.2595294 -0.0000000), wk = 0.0027322 k( 24) = ( 0.1800355 0.2713262 -0.0000000), wk = 0.0027322 k( 25) = ( 0.1878631 0.2831230 -0.0000000), wk = 0.0027322 k( 26) = ( 0.1956907 0.2949198 -0.0000000), wk = 0.0027322 k( 27) = ( 0.2035184 0.3067166 -0.0000000), wk = 0.0027322 k( 28) = ( 0.2113460 0.3185134 -0.0000000), wk = 0.0027322 k( 29) = ( 0.2191736 0.3303102 -0.0000000), wk = 0.0027322 k( 30) = ( 0.2270013 0.3421069 -0.0000000), wk = 0.0027322 k( 31) = ( 0.2348289 0.3539037 -0.0000000), wk = 0.0027322 k( 32) = ( 0.2426565 0.3657005 -0.0000000), wk = 0.0027322 k( 33) = ( 0.2504842 0.3774973 -0.0000000), wk = 0.0027322 k( 34) = ( 0.2583118 0.3892941 -0.0000000), wk = 0.0027322 k( 35) = ( 0.2661394 0.4010909 -0.0000000), wk = 0.0027322 k( 36) = ( 0.2739670 0.4128877 -0.0000000), wk = 0.0027322 k( 37) = ( 0.2817947 0.4246845 -0.0000000), wk = 0.0027322 k( 38) = ( 0.2896223 0.4364813 -0.0000000), wk = 0.0027322 k( 39) = ( 0.2974499 0.4482781 -0.0000000), wk = 0.0027322 k( 40) = ( 0.3052776 0.4600749 -0.0000000), wk = 0.0027322 k( 41) = ( 0.3131052 0.4718716 -0.0000000), wk = 0.0027322 k( 42) = ( 0.3209328 0.4836684 -0.0000000), wk = 0.0027322 k( 43) = ( 0.3287604 0.4954652 -0.0000000), wk = 0.0027322 k( 44) = ( 0.3365881 0.5072620 -0.0000000), wk = 0.0027322 k( 45) = ( 0.3444157 0.5190588 -0.0000000), wk = 0.0027322 k( 46) = ( 0.3522433 0.5308556 -0.0000000), wk = 0.0027322 k( 47) = ( 0.3600710 0.5426524 -0.0000000), wk = 0.0027322 k( 48) = ( 0.3600710 0.5426524 -0.0000000), wk = 0.0027322 k( 49) = ( 0.3462221 0.5426524 -0.0000000), wk = 0.0027322 k( 50) = ( 0.3323732 0.5426524 -0.0000000), wk = 0.0027322 k( 51) = ( 0.3185243 0.5426524 -0.0000000), wk = 0.0027322 k( 52) = ( 0.3046754 0.5426524 -0.0000000), wk = 0.0027322 k( 53) = ( 0.2908265 0.5426524 -0.0000000), wk = 0.0027322 k( 54) = ( 0.2769777 0.5426524 -0.0000000), wk = 0.0027322 k( 55) = ( 0.2631288 0.5426524 -0.0000000), wk = 0.0027322 k( 56) = ( 0.2492799 0.5426524 -0.0000000), wk = 0.0027322 k( 57) = ( 0.2354310 0.5426524 -0.0000000), wk = 0.0027322 k( 58) = ( 0.2215821 0.5426524 -0.0000000), wk = 0.0027322 k( 59) = ( 0.2077333 0.5426524 -0.0000000), wk = 0.0027322 k( 60) = ( 0.1938844 0.5426524 -0.0000000), wk = 0.0027322 k( 61) = ( 0.1800355 0.5426524 -0.0000000), wk = 0.0027322 k( 62) = ( 0.1661866 0.5426524 -0.0000000), wk = 0.0027322 k( 63) = ( 0.1523377 0.5426524 -0.0000000), wk = 0.0027322 k( 64) = ( 0.1384888 0.5426524 -0.0000000), wk = 0.0027322 k( 65) = ( 0.1246399 0.5426524 -0.0000000), wk = 0.0027322 k( 66) = ( 0.1107911 0.5426524 -0.0000000), wk = 0.0027322 k( 67) = ( 0.0969422 0.5426524 -0.0000000), wk = 0.0027322 k( 68) = ( 0.0830933 0.5426524 -0.0000000), wk = 0.0027322 k( 69) = ( 0.0692444 0.5426524 -0.0000000), wk = 0.0027322 k( 70) = ( 0.0553955 0.5426524 -0.0000000), wk = 0.0027322 k( 71) = ( 0.0415466 0.5426524 -0.0000000), wk = 0.0027322 k( 72) = ( 0.0276978 0.5426524 -0.0000000), wk = 0.0027322 k( 73) = ( 0.0138489 0.5426524 -0.0000000), wk = 0.0027322 k( 74) = ( 0.0000000 0.5426524 -0.0000000), wk = 0.0027322 k( 75) = ( 0.0000000 0.5426524 -0.0000000), wk = 0.0027322 k( 76) = ( 0.0000000 0.5426524 0.0140134), wk = 0.0027322 k( 77) = ( 0.0000000 0.5426524 0.0280268), wk = 0.0027322 k( 78) = ( 0.0000000 0.5426524 0.0420402), wk = 0.0027322 k( 79) = ( 0.0000000 0.5426524 0.0560536), wk = 0.0027322 k( 80) = ( 0.0000000 0.5426524 0.0700670), wk = 0.0027322 k( 81) = ( 0.0000000 0.5426524 0.0840804), wk = 0.0027322 k( 82) = ( 0.0000000 0.5426524 0.0980938), wk = 0.0027322 k( 83) = ( 0.0000000 0.5426524 0.1121072), wk = 0.0027322 k( 84) = ( 0.0000000 0.5426524 0.1261206), wk = 0.0027322 k( 85) = ( 0.0000000 0.5426524 0.1401340), wk = 0.0027322 k( 86) = ( 0.0000000 0.5426524 0.1541474), wk = 0.0027322 k( 87) = ( 0.0000000 0.5426524 0.1681608), wk = 0.0027322 k( 88) = ( 0.0000000 0.5426524 0.1821742), wk = 0.0027322 k( 89) = ( 0.0000000 0.5426524 0.1961876), wk = 0.0027322 k( 90) = ( 0.0000000 0.5426524 0.2102010), wk = 0.0027322 k( 91) = ( 0.0000000 0.5426524 0.2242144), wk = 0.0027322 k( 92) = ( 0.0000000 0.5426524 0.2382278), wk = 0.0027322 k( 93) = ( 0.0000000 0.5426524 0.2522412), wk = 0.0027322 k( 94) = ( 0.0000000 0.5426524 0.2662546), wk = 0.0027322 k( 95) = ( 0.0000000 0.5426524 0.2802680), wk = 0.0027322 k( 96) = ( 0.0000000 0.5426524 0.2942814), wk = 0.0027322 k( 97) = ( 0.0000000 0.5426524 0.3082948), wk = 0.0027322 k( 98) = ( 0.0000000 0.5426524 0.3082948), wk = 0.0027322 k( 99) = ( 0.0138489 0.5426524 0.3082948), wk = 0.0027322 k( 100) = ( 0.0276978 0.5426524 0.3082948), wk = 0.0027322 k( 101) = ( 0.0415466 0.5426524 0.3082948), wk = 0.0027322 k( 102) = ( 0.0553955 0.5426524 0.3082948), wk = 0.0027322 k( 103) = ( 0.0692444 0.5426524 0.3082948), wk = 0.0027322 k( 104) = ( 0.0830933 0.5426524 0.3082948), wk = 0.0027322 k( 105) = ( 0.0969422 0.5426524 0.3082948), wk = 0.0027322 k( 106) = ( 0.1107911 0.5426524 0.3082948), wk = 0.0027322 k( 107) = ( 0.1246399 0.5426524 0.3082948), wk = 0.0027322 k( 108) = ( 0.1384888 0.5426524 0.3082948), wk = 0.0027322 k( 109) = ( 0.1523377 0.5426524 0.3082948), wk = 0.0027322 k( 110) = ( 0.1661866 0.5426524 0.3082948), wk = 0.0027322 k( 111) = ( 0.1800355 0.5426524 0.3082948), wk = 0.0027322 k( 112) = ( 0.1938844 0.5426524 0.3082948), wk = 0.0027322 k( 113) = ( 0.2077333 0.5426524 0.3082948), wk = 0.0027322 k( 114) = ( 0.2215821 0.5426524 0.3082948), wk = 0.0027322 k( 115) = ( 0.2354310 0.5426524 0.3082948), wk = 0.0027322 k( 116) = ( 0.2492799 0.5426524 0.3082948), wk = 0.0027322 k( 117) = ( 0.2631288 0.5426524 0.3082948), wk = 0.0027322 k( 118) = ( 0.2769777 0.5426524 0.3082948), wk = 0.0027322 k( 119) = ( 0.2908265 0.5426524 0.3082948), wk = 0.0027322 k( 120) = ( 0.3046754 0.5426524 0.3082948), wk = 0.0027322 k( 121) = ( 0.3185243 0.5426524 0.3082948), wk = 0.0027322 k( 122) = ( 0.3323732 0.5426524 0.3082948), wk = 0.0027322 k( 123) = ( 0.3462221 0.5426524 0.3082948), wk = 0.0027322 k( 124) = ( 0.3600710 0.5426524 0.3082948), wk = 0.0027322 k( 125) = ( 0.3600710 0.5426524 0.3082948), wk = 0.0027322 k( 126) = ( 0.3522433 0.5308556 0.3082948), wk = 0.0027322 k( 127) = ( 0.3444157 0.5190588 0.3082948), wk = 0.0027322 k( 128) = ( 0.3365881 0.5072620 0.3082948), wk = 0.0027322 k( 129) = ( 0.3287604 0.4954652 0.3082948), wk = 0.0027322 k( 130) = ( 0.3209328 0.4836684 0.3082948), wk = 0.0027322 k( 131) = ( 0.3131052 0.4718716 0.3082948), wk = 0.0027322 k( 132) = ( 0.3052776 0.4600749 0.3082948), wk = 0.0027322 k( 133) = ( 0.2974499 0.4482781 0.3082948), wk = 0.0027322 k( 134) = ( 0.2896223 0.4364813 0.3082948), wk = 0.0027322 k( 135) = ( 0.2817947 0.4246845 0.3082948), wk = 0.0027322 k( 136) = ( 0.2739670 0.4128877 0.3082948), wk = 0.0027322 k( 137) = ( 0.2661394 0.4010909 0.3082948), wk = 0.0027322 k( 138) = ( 0.2583118 0.3892941 0.3082948), wk = 0.0027322 k( 139) = ( 0.2504842 0.3774973 0.3082948), wk = 0.0027322 k( 140) = ( 0.2426565 0.3657005 0.3082948), wk = 0.0027322 k( 141) = ( 0.2348289 0.3539037 0.3082948), wk = 0.0027322 k( 142) = ( 0.2270013 0.3421069 0.3082948), wk = 0.0027322 k( 143) = ( 0.2191736 0.3303102 0.3082948), wk = 0.0027322 k( 144) = ( 0.2113460 0.3185134 0.3082948), wk = 0.0027322 k( 145) = ( 0.2035184 0.3067166 0.3082948), wk = 0.0027322 k( 146) = ( 0.1956907 0.2949198 0.3082948), wk = 0.0027322 k( 147) = ( 0.1878631 0.2831230 0.3082948), wk = 0.0027322 k( 148) = ( 0.1800355 0.2713262 0.3082948), wk = 0.0027322 k( 149) = ( 0.1722078 0.2595294 0.3082948), wk = 0.0027322 k( 150) = ( 0.1643802 0.2477326 0.3082948), wk = 0.0027322 k( 151) = ( 0.1565526 0.2359358 0.3082948), wk = 0.0027322 k( 152) = ( 0.1487250 0.2241390 0.3082948), wk = 0.0027322 k( 153) = ( 0.1408973 0.2123422 0.3082948), wk = 0.0027322 k( 154) = ( 0.1330697 0.2005454 0.3082948), wk = 0.0027322 k( 155) = ( 0.1252421 0.1887487 0.3082948), wk = 0.0027322 k( 156) = ( 0.1174144 0.1769519 0.3082948), wk = 0.0027322 k( 157) = ( 0.1095868 0.1651551 0.3082948), wk = 0.0027322 k( 158) = ( 0.1017592 0.1533583 0.3082948), wk = 0.0027322 k( 159) = ( 0.0939316 0.1415615 0.3082948), wk = 0.0027322 k( 160) = ( 0.0861039 0.1297647 0.3082948), wk = 0.0027322 k( 161) = ( 0.0782763 0.1179679 0.3082948), wk = 0.0027322 k( 162) = ( 0.0704487 0.1061711 0.3082948), wk = 0.0027322 k( 163) = ( 0.0626210 0.0943743 0.3082948), wk = 0.0027322 k( 164) = ( 0.0547934 0.0825775 0.3082948), wk = 0.0027322 k( 165) = ( 0.0469658 0.0707808 0.3082948), wk = 0.0027322 k( 166) = ( 0.0391381 0.0589840 0.3082948), wk = 0.0027322 k( 167) = ( 0.0313105 0.0471872 0.3082948), wk = 0.0027322 k( 168) = ( 0.0234829 0.0353904 0.3082948), wk = 0.0027322 k( 169) = ( 0.0156553 0.0235936 0.3082948), wk = 0.0027322 k( 170) = ( 0.0078276 0.0117968 0.3082948), wk = 0.0027322 k( 171) = ( 0.0000000 0.0000000 0.3082948), wk = 0.0027322 k( 172) = ( 0.0000000 0.0000000 0.3082948), wk = 0.0027322 k( 173) = ( 0.0000000 0.0000000 0.2942814), wk = 0.0027322 k( 174) = ( 0.0000000 0.0000000 0.2802680), wk = 0.0027322 k( 175) = ( 0.0000000 0.0000000 0.2662546), wk = 0.0027322 k( 176) = ( 0.0000000 0.0000000 0.2522412), wk = 0.0027322 k( 177) = ( 0.0000000 0.0000000 0.2382278), wk = 0.0027322 k( 178) = ( 0.0000000 0.0000000 0.2242144), wk = 0.0027322 k( 179) = ( 0.0000000 0.0000000 0.2102010), wk = 0.0027322 k( 180) = ( 0.0000000 0.0000000 0.1961876), wk = 0.0027322 k( 181) = ( 0.0000000 0.0000000 0.1821742), wk = 0.0027322 k( 182) = ( 0.0000000 0.0000000 0.1681608), wk = 0.0027322 k( 183) = ( 0.0000000 0.0000000 0.1541474), wk = 0.0027322 k( 184) = ( 0.0000000 0.0000000 0.1401340), wk = 0.0027322 k( 185) = ( 0.0000000 0.0000000 0.1261206), wk = 0.0027322 k( 186) = ( 0.0000000 0.0000000 0.1121072), wk = 0.0027322 k( 187) = ( 0.0000000 0.0000000 0.0980938), wk = 0.0027322 k( 188) = ( 0.0000000 0.0000000 0.0840804), wk = 0.0027322 k( 189) = ( 0.0000000 0.0000000 0.0700670), wk = 0.0027322 k( 190) = ( 0.0000000 0.0000000 0.0560536), wk = 0.0027322 k( 191) = ( 0.0000000 0.0000000 0.0420402), wk = 0.0027322 k( 192) = ( 0.0000000 0.0000000 0.0280268), wk = 0.0027322 k( 193) = ( 0.0000000 0.0000000 0.0140134), wk = 0.0027322 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 196) = ( -0.0116279 0.0077156 0.0000000), wk = 0.0027322 k( 197) = ( -0.0232558 0.0154311 0.0000000), wk = 0.0027322 k( 198) = ( -0.0348837 0.0231467 0.0000000), wk = 0.0027322 k( 199) = ( -0.0465116 0.0308623 0.0000000), wk = 0.0027322 k( 200) = ( -0.0581395 0.0385778 0.0000000), wk = 0.0027322 k( 201) = ( -0.0697674 0.0462934 0.0000000), wk = 0.0027322 k( 202) = ( -0.0813954 0.0540090 0.0000000), wk = 0.0027322 k( 203) = ( -0.0930233 0.0617245 0.0000000), wk = 0.0027322 k( 204) = ( -0.1046512 0.0694401 0.0000000), wk = 0.0027322 k( 205) = ( -0.1162791 0.0771557 0.0000000), wk = 0.0027322 k( 206) = ( -0.1279070 0.0848713 0.0000000), wk = 0.0027322 k( 207) = ( -0.1395349 0.0925868 0.0000000), wk = 0.0027322 k( 208) = ( -0.1511628 0.1003024 0.0000000), wk = 0.0027322 k( 209) = ( -0.1627907 0.1080180 0.0000000), wk = 0.0027322 k( 210) = ( -0.1744186 0.1157335 0.0000000), wk = 0.0027322 k( 211) = ( -0.1860465 0.1234491 0.0000000), wk = 0.0027322 k( 212) = ( -0.1976744 0.1311647 0.0000000), wk = 0.0027322 k( 213) = ( -0.2093023 0.1388802 0.0000000), wk = 0.0027322 k( 214) = ( -0.2209302 0.1465958 0.0000000), wk = 0.0027322 k( 215) = ( -0.2325581 0.1543114 0.0000000), wk = 0.0027322 k( 216) = ( -0.2441860 0.1620269 0.0000000), wk = 0.0027322 k( 217) = ( -0.2558140 0.1697425 0.0000000), wk = 0.0027322 k( 218) = ( -0.2674419 0.1774581 0.0000000), wk = 0.0027322 k( 219) = ( -0.2790698 0.1851736 0.0000000), wk = 0.0027322 k( 220) = ( -0.2906977 0.1928892 0.0000000), wk = 0.0027322 k( 221) = ( -0.3023256 0.2006048 0.0000000), wk = 0.0027322 k( 222) = ( -0.3139535 0.2083203 0.0000000), wk = 0.0027322 k( 223) = ( -0.3255814 0.2160359 0.0000000), wk = 0.0027322 k( 224) = ( -0.3372093 0.2237515 0.0000000), wk = 0.0027322 k( 225) = ( -0.3488372 0.2314670 0.0000000), wk = 0.0027322 k( 226) = ( -0.3604651 0.2391826 0.0000000), wk = 0.0027322 k( 227) = ( -0.3720930 0.2468982 0.0000000), wk = 0.0027322 k( 228) = ( -0.3837209 0.2546138 0.0000000), wk = 0.0027322 k( 229) = ( -0.3953488 0.2623293 0.0000000), wk = 0.0027322 k( 230) = ( -0.4069767 0.2700449 0.0000000), wk = 0.0027322 k( 231) = ( -0.4186047 0.2777605 0.0000000), wk = 0.0027322 k( 232) = ( -0.4302326 0.2854760 0.0000000), wk = 0.0027322 k( 233) = ( -0.4418605 0.2931916 0.0000000), wk = 0.0027322 k( 234) = ( -0.4534884 0.3009072 0.0000000), wk = 0.0027322 k( 235) = ( -0.4651163 0.3086227 0.0000000), wk = 0.0027322 k( 236) = ( -0.4767442 0.3163383 0.0000000), wk = 0.0027322 k( 237) = ( -0.4883721 0.3240539 0.0000000), wk = 0.0027322 k( 238) = ( -0.5000000 0.3317694 0.0000000), wk = 0.0027322 k( 239) = ( -0.5000000 0.3317694 0.0000000), wk = 0.0027322 k( 240) = ( -0.4922262 0.3434852 -0.0000000), wk = 0.0027322 k( 241) = ( -0.4844523 0.3552009 -0.0000000), wk = 0.0027322 k( 242) = ( -0.4766785 0.3669166 -0.0000000), wk = 0.0027322 k( 243) = ( -0.4689047 0.3786323 -0.0000000), wk = 0.0027322 k( 244) = ( -0.4611308 0.3903480 -0.0000000), wk = 0.0027322 k( 245) = ( -0.4533570 0.4020638 -0.0000000), wk = 0.0027322 k( 246) = ( -0.4455831 0.4137795 -0.0000000), wk = 0.0027322 k( 247) = ( -0.4378093 0.4254952 -0.0000000), wk = 0.0027322 k( 248) = ( -0.4300355 0.4372109 -0.0000000), wk = 0.0027322 k( 249) = ( -0.4222616 0.4489266 -0.0000000), wk = 0.0027322 k( 250) = ( -0.4144878 0.4606424 -0.0000000), wk = 0.0027322 k( 251) = ( -0.4067140 0.4723581 -0.0000000), wk = 0.0027322 k( 252) = ( -0.3989401 0.4840738 -0.0000000), wk = 0.0027322 k( 253) = ( -0.3911663 0.4957895 -0.0000000), wk = 0.0027322 k( 254) = ( -0.3833925 0.5075052 -0.0000000), wk = 0.0027322 k( 255) = ( -0.3756186 0.5192210 -0.0000000), wk = 0.0027322 k( 256) = ( -0.3678448 0.5309367 -0.0000000), wk = 0.0027322 k( 257) = ( -0.3600710 0.5426524 -0.0000000), wk = 0.0027322 k( 258) = ( -0.3600710 0.5426524 -0.0000000), wk = 0.0027322 k( 259) = ( -0.3600710 0.5426524 0.0140134), wk = 0.0027322 k( 260) = ( -0.3600710 0.5426524 0.0280268), wk = 0.0027322 k( 261) = ( -0.3600710 0.5426524 0.0420402), wk = 0.0027322 k( 262) = ( -0.3600710 0.5426524 0.0560536), wk = 0.0027322 k( 263) = ( -0.3600710 0.5426524 0.0700670), wk = 0.0027322 k( 264) = ( -0.3600710 0.5426524 0.0840804), wk = 0.0027322 k( 265) = ( -0.3600710 0.5426524 0.0980938), wk = 0.0027322 k( 266) = ( -0.3600710 0.5426524 0.1121072), wk = 0.0027322 k( 267) = ( -0.3600710 0.5426524 0.1261206), wk = 0.0027322 k( 268) = ( -0.3600710 0.5426524 0.1401340), wk = 0.0027322 k( 269) = ( -0.3600710 0.5426524 0.1541474), wk = 0.0027322 k( 270) = ( -0.3600710 0.5426524 0.1681608), wk = 0.0027322 k( 271) = ( -0.3600710 0.5426524 0.1821742), wk = 0.0027322 k( 272) = ( -0.3600710 0.5426524 0.1961876), wk = 0.0027322 k( 273) = ( -0.3600710 0.5426524 0.2102010), wk = 0.0027322 k( 274) = ( -0.3600710 0.5426524 0.2242144), wk = 0.0027322 k( 275) = ( -0.3600710 0.5426524 0.2382278), wk = 0.0027322 k( 276) = ( -0.3600710 0.5426524 0.2522412), wk = 0.0027322 k( 277) = ( -0.3600710 0.5426524 0.2662546), wk = 0.0027322 k( 278) = ( -0.3600710 0.5426524 0.2802680), wk = 0.0027322 k( 279) = ( -0.3600710 0.5426524 0.2942814), wk = 0.0027322 k( 280) = ( -0.3600710 0.5426524 0.3082948), wk = 0.0027322 k( 281) = ( -0.3600710 0.5426524 0.3082948), wk = 0.0027322 k( 282) = ( -0.3678448 0.5309367 0.3082948), wk = 0.0027322 k( 283) = ( -0.3756186 0.5192210 0.3082948), wk = 0.0027322 k( 284) = ( -0.3833925 0.5075052 0.3082948), wk = 0.0027322 k( 285) = ( -0.3911663 0.4957895 0.3082948), wk = 0.0027322 k( 286) = ( -0.3989401 0.4840738 0.3082948), wk = 0.0027322 k( 287) = ( -0.4067140 0.4723581 0.3082948), wk = 0.0027322 k( 288) = ( -0.4144878 0.4606424 0.3082948), wk = 0.0027322 k( 289) = ( -0.4222616 0.4489266 0.3082948), wk = 0.0027322 k( 290) = ( -0.4300355 0.4372109 0.3082948), wk = 0.0027322 k( 291) = ( -0.4378093 0.4254952 0.3082948), wk = 0.0027322 k( 292) = ( -0.4455831 0.4137795 0.3082948), wk = 0.0027322 k( 293) = ( -0.4533570 0.4020638 0.3082948), wk = 0.0027322 k( 294) = ( -0.4611308 0.3903480 0.3082948), wk = 0.0027322 k( 295) = ( -0.4689047 0.3786323 0.3082948), wk = 0.0027322 k( 296) = ( -0.4766785 0.3669166 0.3082948), wk = 0.0027322 k( 297) = ( -0.4844523 0.3552009 0.3082948), wk = 0.0027322 k( 298) = ( -0.4922262 0.3434852 0.3082948), wk = 0.0027322 k( 299) = ( -0.5000000 0.3317694 0.3082948), wk = 0.0027322 k( 300) = ( -0.5000000 0.3317694 0.3082948), wk = 0.0027322 k( 301) = ( -0.5000000 0.3317694 0.2942814), wk = 0.0027322 k( 302) = ( -0.5000000 0.3317694 0.2802680), wk = 0.0027322 k( 303) = ( -0.5000000 0.3317694 0.2662546), wk = 0.0027322 k( 304) = ( -0.5000000 0.3317694 0.2522412), wk = 0.0027322 k( 305) = ( -0.5000000 0.3317694 0.2382278), wk = 0.0027322 k( 306) = ( -0.5000000 0.3317694 0.2242144), wk = 0.0027322 k( 307) = ( -0.5000000 0.3317694 0.2102010), wk = 0.0027322 k( 308) = ( -0.5000000 0.3317694 0.1961876), wk = 0.0027322 k( 309) = ( -0.5000000 0.3317694 0.1821742), wk = 0.0027322 k( 310) = ( -0.5000000 0.3317694 0.1681608), wk = 0.0027322 k( 311) = ( -0.5000000 0.3317694 0.1541474), wk = 0.0027322 k( 312) = ( -0.5000000 0.3317694 0.1401340), wk = 0.0027322 k( 313) = ( -0.5000000 0.3317694 0.1261206), wk = 0.0027322 k( 314) = ( -0.5000000 0.3317694 0.1121072), wk = 0.0027322 k( 315) = ( -0.5000000 0.3317694 0.0980938), wk = 0.0027322 k( 316) = ( -0.5000000 0.3317694 0.0840804), wk = 0.0027322 k( 317) = ( -0.5000000 0.3317694 0.0700670), wk = 0.0027322 k( 318) = ( -0.5000000 0.3317694 0.0560536), wk = 0.0027322 k( 319) = ( -0.5000000 0.3317694 0.0420402), wk = 0.0027322 k( 320) = ( -0.5000000 0.3317694 0.0280268), wk = 0.0027322 k( 321) = ( -0.5000000 0.3317694 0.0140134), wk = 0.0027322 k( 322) = ( -0.5000000 0.3317694 0.0000000), wk = 0.0027322 k( 323) = ( 0.0000000 0.0000000 0.3082948), wk = 0.0027322 k( 324) = ( -0.0116279 0.0077156 0.3082948), wk = 0.0027322 k( 325) = ( -0.0232558 0.0154311 0.3082948), wk = 0.0027322 k( 326) = ( -0.0348837 0.0231467 0.3082948), wk = 0.0027322 k( 327) = ( -0.0465116 0.0308623 0.3082948), wk = 0.0027322 k( 328) = ( -0.0581395 0.0385778 0.3082948), wk = 0.0027322 k( 329) = ( -0.0697674 0.0462934 0.3082948), wk = 0.0027322 k( 330) = ( -0.0813954 0.0540090 0.3082948), wk = 0.0027322 k( 331) = ( -0.0930233 0.0617245 0.3082948), wk = 0.0027322 k( 332) = ( -0.1046512 0.0694401 0.3082948), wk = 0.0027322 k( 333) = ( -0.1162791 0.0771557 0.3082948), wk = 0.0027322 k( 334) = ( -0.1279070 0.0848713 0.3082948), wk = 0.0027322 k( 335) = ( -0.1395349 0.0925868 0.3082948), wk = 0.0027322 k( 336) = ( -0.1511628 0.1003024 0.3082948), wk = 0.0027322 k( 337) = ( -0.1627907 0.1080180 0.3082948), wk = 0.0027322 k( 338) = ( -0.1744186 0.1157335 0.3082948), wk = 0.0027322 k( 339) = ( -0.1860465 0.1234491 0.3082948), wk = 0.0027322 k( 340) = ( -0.1976744 0.1311647 0.3082948), wk = 0.0027322 k( 341) = ( -0.2093023 0.1388802 0.3082948), wk = 0.0027322 k( 342) = ( -0.2209302 0.1465958 0.3082948), wk = 0.0027322 k( 343) = ( -0.2325581 0.1543114 0.3082948), wk = 0.0027322 k( 344) = ( -0.2441860 0.1620269 0.3082948), wk = 0.0027322 k( 345) = ( -0.2558140 0.1697425 0.3082948), wk = 0.0027322 k( 346) = ( -0.2674419 0.1774581 0.3082948), wk = 0.0027322 k( 347) = ( -0.2790698 0.1851736 0.3082948), wk = 0.0027322 k( 348) = ( -0.2906977 0.1928892 0.3082948), wk = 0.0027322 k( 349) = ( -0.3023256 0.2006048 0.3082948), wk = 0.0027322 k( 350) = ( -0.3139535 0.2083203 0.3082948), wk = 0.0027322 k( 351) = ( -0.3255814 0.2160359 0.3082948), wk = 0.0027322 k( 352) = ( -0.3372093 0.2237515 0.3082948), wk = 0.0027322 k( 353) = ( -0.3488372 0.2314670 0.3082948), wk = 0.0027322 k( 354) = ( -0.3604651 0.2391826 0.3082948), wk = 0.0027322 k( 355) = ( -0.3720930 0.2468982 0.3082948), wk = 0.0027322 k( 356) = ( -0.3837209 0.2546138 0.3082948), wk = 0.0027322 k( 357) = ( -0.3953488 0.2623293 0.3082948), wk = 0.0027322 k( 358) = ( -0.4069767 0.2700449 0.3082948), wk = 0.0027322 k( 359) = ( -0.4186047 0.2777605 0.3082948), wk = 0.0027322 k( 360) = ( -0.4302326 0.2854760 0.3082948), wk = 0.0027322 k( 361) = ( -0.4418605 0.2931916 0.3082948), wk = 0.0027322 k( 362) = ( -0.4534884 0.3009072 0.3082948), wk = 0.0027322 k( 363) = ( -0.4651163 0.3086227 0.3082948), wk = 0.0027322 k( 364) = ( -0.4767442 0.3163383 0.3082948), wk = 0.0027322 k( 365) = ( -0.4883721 0.3240539 0.3082948), wk = 0.0027322 k( 366) = ( -0.5000000 0.3317694 0.3082948), wk = 0.0027322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0078276 0.0078276 0.0000000), wk = 0.0027322 k( 3) = ( 0.0156553 0.0156553 0.0000000), wk = 0.0027322 k( 4) = ( 0.0234829 0.0234829 0.0000000), wk = 0.0027322 k( 5) = ( 0.0313105 0.0313105 0.0000000), wk = 0.0027322 k( 6) = ( 0.0391381 0.0391381 0.0000000), wk = 0.0027322 k( 7) = ( 0.0469658 0.0469658 0.0000000), wk = 0.0027322 k( 8) = ( 0.0547934 0.0547934 -0.0000000), wk = 0.0027322 k( 9) = ( 0.0626210 0.0626210 0.0000000), wk = 0.0027322 k( 10) = ( 0.0704487 0.0704487 0.0000000), wk = 0.0027322 k( 11) = ( 0.0782763 0.0782763 0.0000000), wk = 0.0027322 k( 12) = ( 0.0861039 0.0861039 0.0000000), wk = 0.0027322 k( 13) = ( 0.0939316 0.0939316 -0.0000000), wk = 0.0027322 k( 14) = ( 0.1017592 0.1017592 0.0000000), wk = 0.0027322 k( 15) = ( 0.1095868 0.1095868 0.0000000), wk = 0.0027322 k( 16) = ( 0.1174144 0.1174144 -0.0000000), wk = 0.0027322 k( 17) = ( 0.1252421 0.1252421 0.0000000), wk = 0.0027322 k( 18) = ( 0.1330697 0.1330697 0.0000000), wk = 0.0027322 k( 19) = ( 0.1408973 0.1408973 0.0000000), wk = 0.0027322 k( 20) = ( 0.1487250 0.1487250 0.0000000), wk = 0.0027322 k( 21) = ( 0.1565526 0.1565526 0.0000000), wk = 0.0027322 k( 22) = ( 0.1643802 0.1643802 0.0000000), wk = 0.0027322 k( 23) = ( 0.1722078 0.1722078 0.0000000), wk = 0.0027322 k( 24) = ( 0.1800355 0.1800355 -0.0000000), wk = 0.0027322 k( 25) = ( 0.1878631 0.1878631 0.0000000), wk = 0.0027322 k( 26) = ( 0.1956907 0.1956907 0.0000000), wk = 0.0027322 k( 27) = ( 0.2035184 0.2035184 0.0000000), wk = 0.0027322 k( 28) = ( 0.2113460 0.2113460 0.0000000), wk = 0.0027322 k( 29) = ( 0.2191736 0.2191736 0.0000000), wk = 0.0027322 k( 30) = ( 0.2270013 0.2270013 0.0000000), wk = 0.0027322 k( 31) = ( 0.2348289 0.2348289 0.0000000), wk = 0.0027322 k( 32) = ( 0.2426565 0.2426565 -0.0000000), wk = 0.0027322 k( 33) = ( 0.2504842 0.2504842 0.0000000), wk = 0.0027322 k( 34) = ( 0.2583118 0.2583118 0.0000000), wk = 0.0027322 k( 35) = ( 0.2661394 0.2661394 0.0000000), wk = 0.0027322 k( 36) = ( 0.2739670 0.2739670 -0.0000000), wk = 0.0027322 k( 37) = ( 0.2817947 0.2817947 0.0000000), wk = 0.0027322 k( 38) = ( 0.2896223 0.2896223 0.0000000), wk = 0.0027322 k( 39) = ( 0.2974499 0.2974499 0.0000000), wk = 0.0027322 k( 40) = ( 0.3052776 0.3052776 0.0000000), wk = 0.0027322 k( 41) = ( 0.3131052 0.3131052 0.0000000), wk = 0.0027322 k( 42) = ( 0.3209328 0.3209328 -0.0000000), wk = 0.0027322 k( 43) = ( 0.3287604 0.3287604 0.0000000), wk = 0.0027322 k( 44) = ( 0.3365881 0.3365881 0.0000000), wk = 0.0027322 k( 45) = ( 0.3444157 0.3444157 0.0000000), wk = 0.0027322 k( 46) = ( 0.3522433 0.3522433 0.0000000), wk = 0.0027322 k( 47) = ( 0.3600710 0.3600710 -0.0000000), wk = 0.0027322 k( 48) = ( 0.3600710 0.3600710 -0.0000000), wk = 0.0027322 k( 49) = ( 0.3462221 0.3654529 0.0000000), wk = 0.0027322 k( 50) = ( 0.3323732 0.3708347 0.0000000), wk = 0.0027322 k( 51) = ( 0.3185243 0.3762166 0.0000000), wk = 0.0027322 k( 52) = ( 0.3046754 0.3815985 0.0000000), wk = 0.0027322 k( 53) = ( 0.2908265 0.3869804 0.0000000), wk = 0.0027322 k( 54) = ( 0.2769777 0.3923623 0.0000000), wk = 0.0027322 k( 55) = ( 0.2631288 0.3977442 0.0000000), wk = 0.0027322 k( 56) = ( 0.2492799 0.4031261 0.0000000), wk = 0.0027322 k( 57) = ( 0.2354310 0.4085079 0.0000000), wk = 0.0027322 k( 58) = ( 0.2215821 0.4138898 0.0000000), wk = 0.0027322 k( 59) = ( 0.2077333 0.4192717 0.0000000), wk = 0.0027322 k( 60) = ( 0.1938844 0.4246536 0.0000000), wk = 0.0027322 k( 61) = ( 0.1800355 0.4300355 0.0000000), wk = 0.0027322 k( 62) = ( 0.1661866 0.4354174 0.0000000), wk = 0.0027322 k( 63) = ( 0.1523377 0.4407992 0.0000000), wk = 0.0027322 k( 64) = ( 0.1384888 0.4461811 -0.0000000), wk = 0.0027322 k( 65) = ( 0.1246399 0.4515630 0.0000000), wk = 0.0027322 k( 66) = ( 0.1107911 0.4569449 0.0000000), wk = 0.0027322 k( 67) = ( 0.0969422 0.4623268 0.0000000), wk = 0.0027322 k( 68) = ( 0.0830933 0.4677087 0.0000000), wk = 0.0027322 k( 69) = ( 0.0692444 0.4730906 0.0000000), wk = 0.0027322 k( 70) = ( 0.0553955 0.4784725 0.0000000), wk = 0.0027322 k( 71) = ( 0.0415466 0.4838543 0.0000000), wk = 0.0027322 k( 72) = ( 0.0276978 0.4892362 0.0000000), wk = 0.0027322 k( 73) = ( 0.0138489 0.4946181 0.0000000), wk = 0.0027322 k( 74) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027322 k( 75) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027322 k( 76) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0027322 k( 77) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0027322 k( 78) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0027322 k( 79) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0027322 k( 80) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0027322 k( 81) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0027322 k( 82) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0027322 k( 83) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0027322 k( 84) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0027322 k( 85) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0027322 k( 86) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027322 k( 87) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0027322 k( 88) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0027322 k( 89) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0027322 k( 90) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0027322 k( 91) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0027322 k( 92) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0027322 k( 93) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0027322 k( 94) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0027322 k( 95) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0027322 k( 96) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0027322 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027322 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027322 k( 99) = ( 0.0138489 0.4946181 0.5000000), wk = 0.0027322 k( 100) = ( 0.0276978 0.4892362 0.5000000), wk = 0.0027322 k( 101) = ( 0.0415466 0.4838543 0.5000000), wk = 0.0027322 k( 102) = ( 0.0553955 0.4784725 0.5000000), wk = 0.0027322 k( 103) = ( 0.0692444 0.4730906 0.5000000), wk = 0.0027322 k( 104) = ( 0.0830933 0.4677087 0.5000000), wk = 0.0027322 k( 105) = ( 0.0969422 0.4623268 0.5000000), wk = 0.0027322 k( 106) = ( 0.1107911 0.4569449 0.5000000), wk = 0.0027322 k( 107) = ( 0.1246399 0.4515630 0.5000000), wk = 0.0027322 k( 108) = ( 0.1384888 0.4461811 0.5000000), wk = 0.0027322 k( 109) = ( 0.1523377 0.4407992 0.5000000), wk = 0.0027322 k( 110) = ( 0.1661866 0.4354174 0.5000000), wk = 0.0027322 k( 111) = ( 0.1800355 0.4300355 0.5000000), wk = 0.0027322 k( 112) = ( 0.1938844 0.4246536 0.5000000), wk = 0.0027322 k( 113) = ( 0.2077333 0.4192717 0.5000000), wk = 0.0027322 k( 114) = ( 0.2215821 0.4138898 0.5000000), wk = 0.0027322 k( 115) = ( 0.2354310 0.4085079 0.5000000), wk = 0.0027322 k( 116) = ( 0.2492799 0.4031261 0.5000000), wk = 0.0027322 k( 117) = ( 0.2631288 0.3977442 0.5000000), wk = 0.0027322 k( 118) = ( 0.2769777 0.3923623 0.5000000), wk = 0.0027322 k( 119) = ( 0.2908265 0.3869804 0.5000000), wk = 0.0027322 k( 120) = ( 0.3046754 0.3815985 0.5000000), wk = 0.0027322 k( 121) = ( 0.3185243 0.3762166 0.5000000), wk = 0.0027322 k( 122) = ( 0.3323732 0.3708347 0.5000000), wk = 0.0027322 k( 123) = ( 0.3462221 0.3654529 0.5000000), wk = 0.0027322 k( 124) = ( 0.3600710 0.3600710 0.5000000), wk = 0.0027322 k( 125) = ( 0.3600710 0.3600710 0.5000000), wk = 0.0027322 k( 126) = ( 0.3522433 0.3522433 0.5000000), wk = 0.0027322 k( 127) = ( 0.3444157 0.3444157 0.5000000), wk = 0.0027322 k( 128) = ( 0.3365881 0.3365881 0.5000000), wk = 0.0027322 k( 129) = ( 0.3287604 0.3287604 0.5000000), wk = 0.0027322 k( 130) = ( 0.3209328 0.3209328 0.5000000), wk = 0.0027322 k( 131) = ( 0.3131052 0.3131052 0.5000000), wk = 0.0027322 k( 132) = ( 0.3052776 0.3052776 0.5000000), wk = 0.0027322 k( 133) = ( 0.2974499 0.2974499 0.5000000), wk = 0.0027322 k( 134) = ( 0.2896223 0.2896223 0.5000000), wk = 0.0027322 k( 135) = ( 0.2817947 0.2817947 0.5000000), wk = 0.0027322 k( 136) = ( 0.2739670 0.2739670 0.5000000), wk = 0.0027322 k( 137) = ( 0.2661394 0.2661394 0.5000000), wk = 0.0027322 k( 138) = ( 0.2583118 0.2583118 0.5000000), wk = 0.0027322 k( 139) = ( 0.2504842 0.2504842 0.5000000), wk = 0.0027322 k( 140) = ( 0.2426565 0.2426565 0.5000000), wk = 0.0027322 k( 141) = ( 0.2348289 0.2348289 0.5000000), wk = 0.0027322 k( 142) = ( 0.2270013 0.2270013 0.5000000), wk = 0.0027322 k( 143) = ( 0.2191736 0.2191736 0.5000000), wk = 0.0027322 k( 144) = ( 0.2113460 0.2113460 0.5000000), wk = 0.0027322 k( 145) = ( 0.2035184 0.2035184 0.5000000), wk = 0.0027322 k( 146) = ( 0.1956907 0.1956907 0.5000000), wk = 0.0027322 k( 147) = ( 0.1878631 0.1878631 0.5000000), wk = 0.0027322 k( 148) = ( 0.1800355 0.1800355 0.5000000), wk = 0.0027322 k( 149) = ( 0.1722078 0.1722078 0.5000000), wk = 0.0027322 k( 150) = ( 0.1643802 0.1643802 0.5000000), wk = 0.0027322 k( 151) = ( 0.1565526 0.1565526 0.5000000), wk = 0.0027322 k( 152) = ( 0.1487250 0.1487250 0.5000000), wk = 0.0027322 k( 153) = ( 0.1408973 0.1408973 0.5000000), wk = 0.0027322 k( 154) = ( 0.1330697 0.1330697 0.5000000), wk = 0.0027322 k( 155) = ( 0.1252421 0.1252421 0.5000000), wk = 0.0027322 k( 156) = ( 0.1174144 0.1174144 0.5000000), wk = 0.0027322 k( 157) = ( 0.1095868 0.1095868 0.5000000), wk = 0.0027322 k( 158) = ( 0.1017592 0.1017592 0.5000000), wk = 0.0027322 k( 159) = ( 0.0939316 0.0939316 0.5000000), wk = 0.0027322 k( 160) = ( 0.0861039 0.0861039 0.5000000), wk = 0.0027322 k( 161) = ( 0.0782763 0.0782763 0.5000000), wk = 0.0027322 k( 162) = ( 0.0704487 0.0704487 0.5000000), wk = 0.0027322 k( 163) = ( 0.0626210 0.0626210 0.5000000), wk = 0.0027322 k( 164) = ( 0.0547934 0.0547934 0.5000000), wk = 0.0027322 k( 165) = ( 0.0469658 0.0469658 0.5000000), wk = 0.0027322 k( 166) = ( 0.0391381 0.0391381 0.5000000), wk = 0.0027322 k( 167) = ( 0.0313105 0.0313105 0.5000000), wk = 0.0027322 k( 168) = ( 0.0234829 0.0234829 0.5000000), wk = 0.0027322 k( 169) = ( 0.0156553 0.0156553 0.5000000), wk = 0.0027322 k( 170) = ( 0.0078276 0.0078276 0.5000000), wk = 0.0027322 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 173) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0027322 k( 174) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0027322 k( 175) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0027322 k( 176) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027322 k( 177) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0027322 k( 178) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027322 k( 179) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0027322 k( 180) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027322 k( 181) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0027322 k( 182) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027322 k( 183) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027322 k( 184) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027322 k( 185) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0027322 k( 186) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027322 k( 187) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0027322 k( 188) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027322 k( 189) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0027322 k( 190) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027322 k( 191) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0027322 k( 192) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0027322 k( 193) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0027322 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 196) = ( -0.0116279 0.0116279 0.0000000), wk = 0.0027322 k( 197) = ( -0.0232558 0.0232558 0.0000000), wk = 0.0027322 k( 198) = ( -0.0348837 0.0348837 0.0000000), wk = 0.0027322 k( 199) = ( -0.0465116 0.0465116 0.0000000), wk = 0.0027322 k( 200) = ( -0.0581395 0.0581395 0.0000000), wk = 0.0027322 k( 201) = ( -0.0697674 0.0697674 0.0000000), wk = 0.0027322 k( 202) = ( -0.0813954 0.0813954 0.0000000), wk = 0.0027322 k( 203) = ( -0.0930233 0.0930233 0.0000000), wk = 0.0027322 k( 204) = ( -0.1046512 0.1046512 0.0000000), wk = 0.0027322 k( 205) = ( -0.1162791 0.1162791 0.0000000), wk = 0.0027322 k( 206) = ( -0.1279070 0.1279070 0.0000000), wk = 0.0027322 k( 207) = ( -0.1395349 0.1395349 0.0000000), wk = 0.0027322 k( 208) = ( -0.1511628 0.1511628 0.0000000), wk = 0.0027322 k( 209) = ( -0.1627907 0.1627907 0.0000000), wk = 0.0027322 k( 210) = ( -0.1744186 0.1744186 0.0000000), wk = 0.0027322 k( 211) = ( -0.1860465 0.1860465 -0.0000000), wk = 0.0027322 k( 212) = ( -0.1976744 0.1976744 0.0000000), wk = 0.0027322 k( 213) = ( -0.2093023 0.2093023 0.0000000), wk = 0.0027322 k( 214) = ( -0.2209302 0.2209302 0.0000000), wk = 0.0027322 k( 215) = ( -0.2325581 0.2325581 0.0000000), wk = 0.0027322 k( 216) = ( -0.2441860 0.2441861 0.0000000), wk = 0.0027322 k( 217) = ( -0.2558140 0.2558140 0.0000000), wk = 0.0027322 k( 218) = ( -0.2674419 0.2674419 0.0000000), wk = 0.0027322 k( 219) = ( -0.2790698 0.2790698 -0.0000000), wk = 0.0027322 k( 220) = ( -0.2906977 0.2906977 0.0000000), wk = 0.0027322 k( 221) = ( -0.3023256 0.3023256 0.0000000), wk = 0.0027322 k( 222) = ( -0.3139535 0.3139535 0.0000000), wk = 0.0027322 k( 223) = ( -0.3255814 0.3255814 0.0000000), wk = 0.0027322 k( 224) = ( -0.3372093 0.3372093 0.0000000), wk = 0.0027322 k( 225) = ( -0.3488372 0.3488372 0.0000000), wk = 0.0027322 k( 226) = ( -0.3604651 0.3604651 -0.0000000), wk = 0.0027322 k( 227) = ( -0.3720930 0.3720930 -0.0000000), wk = 0.0027322 k( 228) = ( -0.3837209 0.3837209 0.0000000), wk = 0.0027322 k( 229) = ( -0.3953488 0.3953488 0.0000000), wk = 0.0027322 k( 230) = ( -0.4069767 0.4069767 0.0000000), wk = 0.0027322 k( 231) = ( -0.4186047 0.4186047 0.0000000), wk = 0.0027322 k( 232) = ( -0.4302326 0.4302326 0.0000000), wk = 0.0027322 k( 233) = ( -0.4418605 0.4418605 0.0000000), wk = 0.0027322 k( 234) = ( -0.4534884 0.4534884 0.0000000), wk = 0.0027322 k( 235) = ( -0.4651163 0.4651163 0.0000000), wk = 0.0027322 k( 236) = ( -0.4767442 0.4767442 0.0000000), wk = 0.0027322 k( 237) = ( -0.4883721 0.4883721 0.0000000), wk = 0.0027322 k( 238) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0027322 k( 239) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0027322 k( 240) = ( -0.4922262 0.5077738 0.0000000), wk = 0.0027322 k( 241) = ( -0.4844523 0.5155477 0.0000000), wk = 0.0027322 k( 242) = ( -0.4766785 0.5233215 0.0000000), wk = 0.0027322 k( 243) = ( -0.4689047 0.5310953 0.0000000), wk = 0.0027322 k( 244) = ( -0.4611308 0.5388692 0.0000000), wk = 0.0027322 k( 245) = ( -0.4533570 0.5466430 0.0000000), wk = 0.0027322 k( 246) = ( -0.4455831 0.5544168 0.0000000), wk = 0.0027322 k( 247) = ( -0.4378093 0.5621907 0.0000000), wk = 0.0027322 k( 248) = ( -0.4300355 0.5699645 0.0000000), wk = 0.0027322 k( 249) = ( -0.4222616 0.5777384 0.0000000), wk = 0.0027322 k( 250) = ( -0.4144878 0.5855122 0.0000000), wk = 0.0027322 k( 251) = ( -0.4067140 0.5932860 0.0000000), wk = 0.0027322 k( 252) = ( -0.3989401 0.6010599 0.0000000), wk = 0.0027322 k( 253) = ( -0.3911663 0.6088337 0.0000000), wk = 0.0027322 k( 254) = ( -0.3833925 0.6166075 0.0000000), wk = 0.0027322 k( 255) = ( -0.3756186 0.6243814 0.0000000), wk = 0.0027322 k( 256) = ( -0.3678448 0.6321552 0.0000000), wk = 0.0027322 k( 257) = ( -0.3600710 0.6399290 0.0000000), wk = 0.0027322 k( 258) = ( -0.3600710 0.6399290 0.0000000), wk = 0.0027322 k( 259) = ( -0.3600710 0.6399290 0.0227273), wk = 0.0027322 k( 260) = ( -0.3600710 0.6399290 0.0454546), wk = 0.0027322 k( 261) = ( -0.3600710 0.6399290 0.0681818), wk = 0.0027322 k( 262) = ( -0.3600710 0.6399290 0.0909091), wk = 0.0027322 k( 263) = ( -0.3600710 0.6399290 0.1136364), wk = 0.0027322 k( 264) = ( -0.3600710 0.6399290 0.1363636), wk = 0.0027322 k( 265) = ( -0.3600710 0.6399290 0.1590909), wk = 0.0027322 k( 266) = ( -0.3600710 0.6399290 0.1818182), wk = 0.0027322 k( 267) = ( -0.3600710 0.6399290 0.2045454), wk = 0.0027322 k( 268) = ( -0.3600710 0.6399290 0.2272727), wk = 0.0027322 k( 269) = ( -0.3600710 0.6399290 0.2500000), wk = 0.0027322 k( 270) = ( -0.3600710 0.6399290 0.2727273), wk = 0.0027322 k( 271) = ( -0.3600710 0.6399290 0.2954545), wk = 0.0027322 k( 272) = ( -0.3600710 0.6399290 0.3181818), wk = 0.0027322 k( 273) = ( -0.3600710 0.6399290 0.3409091), wk = 0.0027322 k( 274) = ( -0.3600710 0.6399290 0.3636364), wk = 0.0027322 k( 275) = ( -0.3600710 0.6399290 0.3863636), wk = 0.0027322 k( 276) = ( -0.3600710 0.6399290 0.4090909), wk = 0.0027322 k( 277) = ( -0.3600710 0.6399290 0.4318182), wk = 0.0027322 k( 278) = ( -0.3600710 0.6399290 0.4545454), wk = 0.0027322 k( 279) = ( -0.3600710 0.6399290 0.4772727), wk = 0.0027322 k( 280) = ( -0.3600710 0.6399290 0.5000000), wk = 0.0027322 k( 281) = ( -0.3600710 0.6399290 0.5000000), wk = 0.0027322 k( 282) = ( -0.3678448 0.6321552 0.5000000), wk = 0.0027322 k( 283) = ( -0.3756186 0.6243814 0.5000000), wk = 0.0027322 k( 284) = ( -0.3833925 0.6166075 0.5000000), wk = 0.0027322 k( 285) = ( -0.3911663 0.6088337 0.5000000), wk = 0.0027322 k( 286) = ( -0.3989401 0.6010599 0.5000000), wk = 0.0027322 k( 287) = ( -0.4067140 0.5932860 0.5000000), wk = 0.0027322 k( 288) = ( -0.4144878 0.5855122 0.5000000), wk = 0.0027322 k( 289) = ( -0.4222616 0.5777384 0.5000000), wk = 0.0027322 k( 290) = ( -0.4300355 0.5699645 0.5000000), wk = 0.0027322 k( 291) = ( -0.4378093 0.5621907 0.5000000), wk = 0.0027322 k( 292) = ( -0.4455831 0.5544168 0.5000000), wk = 0.0027322 k( 293) = ( -0.4533570 0.5466430 0.5000000), wk = 0.0027322 k( 294) = ( -0.4611308 0.5388692 0.5000000), wk = 0.0027322 k( 295) = ( -0.4689047 0.5310953 0.5000000), wk = 0.0027322 k( 296) = ( -0.4766785 0.5233215 0.5000000), wk = 0.0027322 k( 297) = ( -0.4844523 0.5155477 0.5000000), wk = 0.0027322 k( 298) = ( -0.4922262 0.5077738 0.5000000), wk = 0.0027322 k( 299) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 300) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 301) = ( -0.5000000 0.5000000 0.4772727), wk = 0.0027322 k( 302) = ( -0.5000000 0.5000000 0.4545454), wk = 0.0027322 k( 303) = ( -0.5000000 0.5000000 0.4318182), wk = 0.0027322 k( 304) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0027322 k( 305) = ( -0.5000000 0.5000000 0.3863636), wk = 0.0027322 k( 306) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0027322 k( 307) = ( -0.5000000 0.5000000 0.3409091), wk = 0.0027322 k( 308) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0027322 k( 309) = ( -0.5000000 0.5000000 0.2954545), wk = 0.0027322 k( 310) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0027322 k( 311) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0027322 k( 312) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0027322 k( 313) = ( -0.5000000 0.5000000 0.2045454), wk = 0.0027322 k( 314) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0027322 k( 315) = ( -0.5000000 0.5000000 0.1590909), wk = 0.0027322 k( 316) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0027322 k( 317) = ( -0.5000000 0.5000000 0.1136364), wk = 0.0027322 k( 318) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0027322 k( 319) = ( -0.5000000 0.5000000 0.0681818), wk = 0.0027322 k( 320) = ( -0.5000000 0.5000000 0.0454545), wk = 0.0027322 k( 321) = ( -0.5000000 0.5000000 0.0227273), wk = 0.0027322 k( 322) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0027322 k( 323) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 324) = ( -0.0116279 0.0116279 0.5000000), wk = 0.0027322 k( 325) = ( -0.0232558 0.0232558 0.5000000), wk = 0.0027322 k( 326) = ( -0.0348837 0.0348837 0.5000000), wk = 0.0027322 k( 327) = ( -0.0465116 0.0465116 0.5000000), wk = 0.0027322 k( 328) = ( -0.0581395 0.0581395 0.5000000), wk = 0.0027322 k( 329) = ( -0.0697674 0.0697674 0.5000000), wk = 0.0027322 k( 330) = ( -0.0813954 0.0813954 0.5000000), wk = 0.0027322 k( 331) = ( -0.0930233 0.0930233 0.5000000), wk = 0.0027322 k( 332) = ( -0.1046512 0.1046512 0.5000000), wk = 0.0027322 k( 333) = ( -0.1162791 0.1162791 0.5000000), wk = 0.0027322 k( 334) = ( -0.1279070 0.1279070 0.5000000), wk = 0.0027322 k( 335) = ( -0.1395349 0.1395349 0.5000000), wk = 0.0027322 k( 336) = ( -0.1511628 0.1511628 0.5000000), wk = 0.0027322 k( 337) = ( -0.1627907 0.1627907 0.5000000), wk = 0.0027322 k( 338) = ( -0.1744186 0.1744186 0.5000000), wk = 0.0027322 k( 339) = ( -0.1860465 0.1860465 0.5000000), wk = 0.0027322 k( 340) = ( -0.1976744 0.1976744 0.5000000), wk = 0.0027322 k( 341) = ( -0.2093023 0.2093023 0.5000000), wk = 0.0027322 k( 342) = ( -0.2209302 0.2209302 0.5000000), wk = 0.0027322 k( 343) = ( -0.2325581 0.2325581 0.5000000), wk = 0.0027322 k( 344) = ( -0.2441860 0.2441861 0.5000000), wk = 0.0027322 k( 345) = ( -0.2558140 0.2558140 0.5000000), wk = 0.0027322 k( 346) = ( -0.2674419 0.2674419 0.5000000), wk = 0.0027322 k( 347) = ( -0.2790698 0.2790698 0.5000000), wk = 0.0027322 k( 348) = ( -0.2906977 0.2906977 0.5000000), wk = 0.0027322 k( 349) = ( -0.3023256 0.3023256 0.5000000), wk = 0.0027322 k( 350) = ( -0.3139535 0.3139535 0.5000000), wk = 0.0027322 k( 351) = ( -0.3255814 0.3255814 0.5000000), wk = 0.0027322 k( 352) = ( -0.3372093 0.3372093 0.5000000), wk = 0.0027322 k( 353) = ( -0.3488372 0.3488372 0.5000000), wk = 0.0027322 k( 354) = ( -0.3604651 0.3604651 0.5000000), wk = 0.0027322 k( 355) = ( -0.3720930 0.3720930 0.5000000), wk = 0.0027322 k( 356) = ( -0.3837209 0.3837209 0.5000000), wk = 0.0027322 k( 357) = ( -0.3953488 0.3953488 0.5000000), wk = 0.0027322 k( 358) = ( -0.4069767 0.4069767 0.5000000), wk = 0.0027322 k( 359) = ( -0.4186047 0.4186047 0.5000000), wk = 0.0027322 k( 360) = ( -0.4302326 0.4302326 0.5000000), wk = 0.0027322 k( 361) = ( -0.4418605 0.4418605 0.5000000), wk = 0.0027322 k( 362) = ( -0.4534884 0.4534884 0.5000000), wk = 0.0027322 k( 363) = ( -0.4651163 0.4651163 0.5000000), wk = 0.0027322 k( 364) = ( -0.4767442 0.4767442 0.5000000), wk = 0.0027322 k( 365) = ( -0.4883721 0.4883721 0.5000000), wk = 0.0027322 k( 366) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027322 Dense grid: 86197 G-vectors FFT dimensions: ( 48, 48, 80) Smooth grid: 43091 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 254, 62) NL pseudopotentials 0.29 Mb ( 127, 152) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1799) G-vector shells 0.01 Mb ( 904) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 254, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.29 Mb ( 152, 2, 62) The potential is recalculated from file : ./SbF3.save/charge-density.dat negative rho (up, down): 1.124E-02 0.000E+00 Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.2 secs Computing kpt #: 2 total cpu time spent up to now is 45.4 secs Computing kpt #: 3 total cpu time spent up to now is 47.5 secs Computing kpt #: 4 total cpu time spent up to now is 49.6 secs Computing kpt #: 5 total cpu time spent up to now is 51.7 secs Computing kpt #: 6 total cpu time spent up to now is 53.8 secs Computing kpt #: 7 total cpu time spent up to now is 55.9 secs Computing kpt #: 8 total cpu time spent up to now is 58.2 secs Computing kpt #: 9 total cpu time spent up to now is 60.5 secs Computing kpt #: 10 total cpu time spent up to now is 63.1 secs Computing kpt #: 11 total cpu time spent up to now is 65.4 secs Computing kpt #: 12 total cpu time spent up to now is 67.7 secs Computing kpt #: 13 total cpu time spent up to now is 69.9 secs Computing kpt #: 14 total cpu time spent up to now is 72.1 secs Computing kpt #: 15 total cpu time spent up to now is 74.2 secs Computing kpt #: 16 total cpu time spent up to now is 76.6 secs Computing kpt #: 17 total cpu time spent up to now is 79.9 secs Computing kpt #: 18 total cpu time spent up to now is 82.5 secs Computing kpt #: 19 total cpu time spent up to now is 87.6 secs Computing kpt #: 20 total cpu time spent up to now is 89.8 secs Computing kpt #: 21 total cpu time spent up to now is 92.0 secs Computing kpt #: 22 total cpu time spent up to now is 94.2 secs Computing kpt #: 23 total cpu time spent up to now is 96.3 secs Computing kpt #: 24 total cpu time spent up to now is 98.4 secs Computing kpt #: 25 total cpu time spent up to now is 100.8 secs Computing kpt #: 26 total cpu time spent up to now is 103.2 secs Computing kpt #: 27 total cpu time spent up to now is 105.5 secs Computing kpt #: 28 total cpu time spent up to now is 108.2 secs Computing kpt #: 29 total cpu time spent up to now is 110.7 secs Computing kpt #: 30 total cpu time spent up to now is 112.9 secs Computing kpt #: 31 total cpu time spent up to now is 115.1 secs Computing kpt #: 32 total cpu time spent up to now is 117.3 secs Computing kpt #: 33 total cpu time spent up to now is 121.9 secs Computing kpt #: 34 total cpu time spent up to now is 124.8 secs Computing kpt #: 35 total cpu time spent up to now is 127.2 secs Computing kpt #: 36 total cpu time spent up to now is 129.4 secs Computing kpt #: 37 total cpu time spent up to now is 131.8 secs Computing kpt #: 38 total cpu time spent up to now is 134.0 secs Computing kpt #: 39 total cpu time spent up to now is 136.2 secs Computing kpt #: 40 total cpu time spent up to now is 138.2 secs Computing kpt #: 41 total cpu time spent up to now is 141.1 secs Computing kpt #: 42 total cpu time spent up to now is 143.3 secs Computing kpt #: 43 total cpu time spent up to now is 145.7 secs Computing kpt #: 44 total cpu time spent up to now is 148.2 secs Computing kpt #: 45 total cpu time spent up to now is 150.6 secs Computing kpt #: 46 total cpu time spent up to now is 152.9 secs Computing kpt #: 47 total cpu time spent up to now is 155.1 secs Computing kpt #: 48 total cpu time spent up to now is 157.5 secs Computing kpt #: 49 total cpu time spent up to now is 159.9 secs Computing kpt #: 50 total cpu time spent up to now is 162.3 secs Computing kpt #: 51 total cpu time spent up to now is 164.5 secs Computing kpt #: 52 total cpu time spent up to now is 166.7 secs Computing kpt #: 53 total cpu time spent up to now is 169.1 secs Computing kpt #: 54 total cpu time spent up to now is 171.8 secs Computing kpt #: 55 total cpu time spent up to now is 174.0 secs Computing kpt #: 56 total cpu time spent up to now is 176.0 secs Computing kpt #: 57 total cpu time spent up to now is 177.9 secs Computing kpt #: 58 total cpu time spent up to now is 179.9 secs Computing kpt #: 59 total cpu time spent up to now is 181.9 secs Computing kpt #: 60 total cpu time spent up to now is 183.8 secs Computing kpt #: 61 total cpu time spent up to now is 185.8 secs Computing kpt #: 62 total cpu time spent up to now is 187.8 secs Computing kpt #: 63 total cpu time spent up to now is 190.0 secs Computing kpt #: 64 total cpu time spent up to now is 192.1 secs Computing kpt #: 65 total cpu time spent up to now is 194.1 secs Computing kpt #: 66 total cpu time spent up to now is 196.0 secs Computing kpt #: 67 total cpu time spent up to now is 198.3 secs Computing kpt #: 68 total cpu time spent up to now is 200.5 secs Computing kpt #: 69 total cpu time spent up to now is 202.6 secs Computing kpt #: 70 total cpu time spent up to now is 204.5 secs Computing kpt #: 71 total cpu time spent up to now is 207.1 secs Computing kpt #: 72 total cpu time spent up to now is 209.0 secs Computing kpt #: 73 total cpu time spent up to now is 211.3 secs Computing kpt #: 74 total cpu time spent up to now is 213.3 secs Computing kpt #: 75 total cpu time spent up to now is 215.2 secs Computing kpt #: 76 total cpu time spent up to now is 217.3 secs Computing kpt #: 77 total cpu time spent up to now is 219.6 secs Computing kpt #: 78 total cpu time spent up to now is 221.4 secs Computing kpt #: 79 total cpu time spent up to now is 223.3 secs Computing kpt #: 80 total cpu time spent up to now is 225.7 secs Computing kpt #: 81 total cpu time spent up to now is 227.9 secs Computing kpt #: 82 total cpu time spent up to now is 230.1 secs Computing kpt #: 83 total cpu time spent up to now is 232.2 secs Computing kpt #: 84 total cpu time spent up to now is 234.3 secs Computing kpt #: 85 total cpu time spent up to now is 236.7 secs Computing kpt #: 86 total cpu time spent up to now is 238.6 secs Computing kpt #: 87 total cpu time spent up to now is 241.5 secs Computing kpt #: 88 total cpu time spent up to now is 243.4 secs Computing kpt #: 89 total cpu time spent up to now is 245.2 secs Computing kpt #: 90 total cpu time spent up to now is 247.3 secs Computing kpt #: 91 total cpu time spent up to now is 250.1 secs Computing kpt #: 92 total cpu time spent up to now is 252.4 secs Computing kpt #: 93 total cpu time spent up to now is 254.3 secs Computing kpt #: 94 total cpu time spent up to now is 256.4 secs Computing kpt #: 95 total cpu time spent up to now is 258.3 secs Computing kpt #: 96 total cpu time spent up to now is 260.3 secs Computing kpt #: 97 total cpu time spent up to now is 262.1 secs Computing kpt #: 98 total cpu time spent up to now is 264.0 secs Computing kpt #: 99 total cpu time spent up to now is 266.8 secs Computing kpt #: 100 total cpu time spent up to now is 269.0 secs Computing kpt #: 101 total cpu time spent up to now is 271.4 secs Computing kpt #: 102 total cpu time spent up to now is 273.4 secs Computing kpt #: 103 total cpu time spent up to now is 275.6 secs Computing kpt #: 104 total cpu time spent up to now is 278.5 secs Computing kpt #: 105 total cpu time spent up to now is 280.6 secs Computing kpt #: 106 total cpu time spent up to now is 282.7 secs Computing kpt #: 107 total cpu time spent up to now is 284.6 secs Computing kpt #: 108 total cpu time spent up to now is 287.2 secs Computing kpt #: 109 total cpu time spent up to now is 289.3 secs Computing kpt #: 110 total cpu time spent up to now is 291.5 secs Computing kpt #: 111 total cpu time spent up to now is 293.5 secs Computing kpt #: 112 total cpu time spent up to now is 295.4 secs Computing kpt #: 113 total cpu time spent up to now is 297.6 secs Computing kpt #: 114 total cpu time spent up to now is 299.8 secs Computing kpt #: 115 total cpu time spent up to now is 301.9 secs Computing kpt #: 116 total cpu time spent up to now is 304.3 secs Computing kpt #: 117 total cpu time spent up to now is 306.9 secs Computing kpt #: 118 total cpu time spent up to now is 309.2 secs Computing kpt #: 119 total cpu time spent up to now is 311.4 secs Computing kpt #: 120 total cpu time spent up to now is 314.2 secs Computing kpt #: 121 total cpu time spent up to now is 316.7 secs Computing kpt #: 122 total cpu time spent up to now is 319.2 secs Computing kpt #: 123 total cpu time spent up to now is 321.6 secs Computing kpt #: 124 total cpu time spent up to now is 323.8 secs Computing kpt #: 125 total cpu time spent up to now is 326.5 secs Computing kpt #: 126 total cpu time spent up to now is 329.3 secs Computing kpt #: 127 total cpu time spent up to now is 331.5 secs Computing kpt #: 128 total cpu time spent up to now is 333.7 secs Computing kpt #: 129 total cpu time spent up to now is 336.1 secs Computing kpt #: 130 total cpu time spent up to now is 338.4 secs Computing kpt #: 131 total cpu time spent up to now is 340.8 secs Computing kpt #: 132 total cpu time spent up to now is 343.0 secs Computing kpt #: 133 total cpu time spent up to now is 345.2 secs Computing kpt #: 134 total cpu time spent up to now is 348.4 secs Computing kpt #: 135 total cpu time spent up to now is 350.7 secs Computing kpt #: 136 total cpu time spent up to now is 353.0 secs Computing kpt #: 137 total cpu time spent up to now is 355.1 secs Computing kpt #: 138 total cpu time spent up to now is 357.6 secs Computing kpt #: 139 total cpu time spent up to now is 360.2 secs Computing kpt #: 140 total cpu time spent up to now is 362.6 secs Computing kpt #: 141 total cpu time spent up to now is 364.7 secs Computing kpt #: 142 total cpu time spent up to now is 366.9 secs Computing kpt #: 143 total cpu time spent up to now is 369.2 secs Computing kpt #: 144 total cpu time spent up to now is 371.5 secs Computing kpt #: 145 total cpu time spent up to now is 373.7 secs Computing kpt #: 146 total cpu time spent up to now is 376.1 secs Computing kpt #: 147 total cpu time spent up to now is 378.4 secs Computing kpt #: 148 total cpu time spent up to now is 380.5 secs Computing kpt #: 149 total cpu time spent up to now is 383.0 secs Computing kpt #: 150 total cpu time spent up to now is 385.2 secs Computing kpt #: 151 total cpu time spent up to now is 387.7 secs Computing kpt #: 152 total cpu time spent up to now is 390.5 secs Computing kpt #: 153 total cpu time spent up to now is 392.7 secs Computing kpt #: 154 total cpu time spent up to now is 394.8 secs Computing kpt #: 155 total cpu time spent up to now is 397.1 secs Computing kpt #: 156 total cpu time spent up to now is 399.9 secs Computing kpt #: 157 total cpu time spent up to now is 402.1 secs Computing kpt #: 158 total cpu time spent up to now is 404.4 secs Computing kpt #: 159 total cpu time spent up to now is 406.8 secs Computing kpt #: 160 total cpu time spent up to now is 409.0 secs Computing kpt #: 161 total cpu time spent up to now is 411.2 secs Computing kpt #: 162 total cpu time spent up to now is 414.4 secs Computing kpt #: 163 total cpu time spent up to now is 416.7 secs Computing kpt #: 164 total cpu time spent up to now is 419.0 secs Computing kpt #: 165 total cpu time spent up to now is 421.3 secs Computing kpt #: 166 total cpu time spent up to now is 423.6 secs Computing kpt #: 167 total cpu time spent up to now is 425.9 secs Computing kpt #: 168 total cpu time spent up to now is 428.3 secs Computing kpt #: 169 total cpu time spent up to now is 430.5 secs Computing kpt #: 170 total cpu time spent up to now is 433.2 secs Computing kpt #: 171 total cpu time spent up to now is 435.7 secs Computing kpt #: 172 total cpu time spent up to now is 438.0 secs Computing kpt #: 173 total cpu time spent up to now is 440.3 secs Computing kpt #: 174 total cpu time spent up to now is 443.3 secs Computing kpt #: 175 total cpu time spent up to now is 445.9 secs Computing kpt #: 176 total cpu time spent up to now is 448.2 secs Computing kpt #: 177 total cpu time spent up to now is 450.9 secs Computing kpt #: 178 total cpu time spent up to now is 453.0 secs Computing kpt #: 179 total cpu time spent up to now is 455.2 secs Computing kpt #: 180 total cpu time spent up to now is 457.3 secs Computing kpt #: 181 total cpu time spent up to now is 459.5 secs Computing kpt #: 182 total cpu time spent up to now is 461.7 secs Computing kpt #: 183 total cpu time spent up to now is 463.8 secs Computing kpt #: 184 total cpu time spent up to now is 466.5 secs Computing kpt #: 185 total cpu time spent up to now is 468.5 secs Computing kpt #: 186 total cpu time spent up to now is 470.4 secs Computing kpt #: 187 total cpu time spent up to now is 472.6 secs Computing kpt #: 188 total cpu time spent up to now is 475.0 secs Computing kpt #: 189 total cpu time spent up to now is 477.1 secs Computing kpt #: 190 total cpu time spent up to now is 479.5 secs Computing kpt #: 191 total cpu time spent up to now is 481.8 secs Computing kpt #: 192 total cpu time spent up to now is 483.9 secs Computing kpt #: 193 total cpu time spent up to now is 486.0 secs Computing kpt #: 194 total cpu time spent up to now is 488.3 secs Computing kpt #: 195 total cpu time spent up to now is 490.4 secs Computing kpt #: 196 total cpu time spent up to now is 492.6 secs Computing kpt #: 197 total cpu time spent up to now is 494.8 secs Computing kpt #: 198 total cpu time spent up to now is 497.1 secs Computing kpt #: 199 total cpu time spent up to now is 499.3 secs Computing kpt #: 200 total cpu time spent up to now is 501.5 secs Computing kpt #: 201 total cpu time spent up to now is 503.7 secs Computing kpt #: 202 total cpu time spent up to now is 506.3 secs Computing kpt #: 203 total cpu time spent up to now is 508.5 secs Computing kpt #: 204 total cpu time spent up to now is 511.3 secs Computing kpt #: 205 total cpu time spent up to now is 513.6 secs Computing kpt #: 206 total cpu time spent up to now is 515.8 secs Computing kpt #: 207 total cpu time spent up to now is 518.5 secs Computing kpt #: 208 total cpu time spent up to now is 520.7 secs Computing kpt #: 209 total cpu time spent up to now is 523.2 secs Computing kpt #: 210 total cpu time spent up to now is 525.4 secs Computing kpt #: 211 total cpu time spent up to now is 527.8 secs Computing kpt #: 212 total cpu time spent up to now is 530.1 secs Computing kpt #: 213 total cpu time spent up to now is 532.3 secs Computing kpt #: 214 total cpu time spent up to now is 534.4 secs Computing kpt #: 215 total cpu time spent up to now is 537.4 secs Computing kpt #: 216 total cpu time spent up to now is 539.6 secs Computing kpt #: 217 total cpu time spent up to now is 541.8 secs Computing kpt #: 218 total cpu time spent up to now is 544.0 secs Computing kpt #: 219 total cpu time spent up to now is 546.3 secs Computing kpt #: 220 total cpu time spent up to now is 548.4 secs Computing kpt #: 221 total cpu time spent up to now is 550.7 secs Computing kpt #: 222 total cpu time spent up to now is 552.7 secs Computing kpt #: 223 total cpu time spent up to now is 554.6 secs Computing kpt #: 224 total cpu time spent up to now is 556.7 secs Computing kpt #: 225 total cpu time spent up to now is 558.8 secs Computing kpt #: 226 total cpu time spent up to now is 560.8 secs Computing kpt #: 227 total cpu time spent up to now is 562.7 secs Computing kpt #: 228 total cpu time spent up to now is 564.6 secs Computing kpt #: 229 total cpu time spent up to now is 566.5 secs Computing kpt #: 230 total cpu time spent up to now is 568.4 secs Computing kpt #: 231 total cpu time spent up to now is 570.4 secs Computing kpt #: 232 total cpu time spent up to now is 573.0 secs Computing kpt #: 233 total cpu time spent up to now is 575.4 secs Computing kpt #: 234 total cpu time spent up to now is 577.4 secs Computing kpt #: 235 total cpu time spent up to now is 579.3 secs Computing kpt #: 236 total cpu time spent up to now is 581.3 secs Computing kpt #: 237 total cpu time spent up to now is 583.5 secs Computing kpt #: 238 total cpu time spent up to now is 585.4 secs Computing kpt #: 239 total cpu time spent up to now is 587.4 secs Computing kpt #: 240 total cpu time spent up to now is 589.9 secs Computing kpt #: 241 total cpu time spent up to now is 591.7 secs Computing kpt #: 242 total cpu time spent up to now is 593.8 secs Computing kpt #: 243 total cpu time spent up to now is 595.7 secs Computing kpt #: 244 total cpu time spent up to now is 597.6 secs Computing kpt #: 245 total cpu time spent up to now is 599.5 secs Computing kpt #: 246 total cpu time spent up to now is 601.7 secs Computing kpt #: 247 total cpu time spent up to now is 603.7 secs Computing kpt #: 248 total cpu time spent up to now is 606.1 secs Computing kpt #: 249 total cpu time spent up to now is 608.1 secs Computing kpt #: 250 total cpu time spent up to now is 610.1 secs Computing kpt #: 251 total cpu time spent up to now is 612.0 secs Computing kpt #: 252 total cpu time spent up to now is 614.0 secs Computing kpt #: 253 total cpu time spent up to now is 616.0 secs Computing kpt #: 254 total cpu time spent up to now is 617.9 secs Computing kpt #: 255 total cpu time spent up to now is 620.1 secs Computing kpt #: 256 total cpu time spent up to now is 622.3 secs Computing kpt #: 257 total cpu time spent up to now is 624.5 secs Computing kpt #: 258 total cpu time spent up to now is 626.8 secs Computing kpt #: 259 total cpu time spent up to now is 629.1 secs Computing kpt #: 260 total cpu time spent up to now is 631.8 secs Computing kpt #: 261 total cpu time spent up to now is 634.0 secs Computing kpt #: 262 total cpu time spent up to now is 636.4 secs Computing kpt #: 263 total cpu time spent up to now is 638.6 secs Computing kpt #: 264 total cpu time spent up to now is 641.0 secs Computing kpt #: 265 total cpu time spent up to now is 643.2 secs Computing kpt #: 266 total cpu time spent up to now is 645.6 secs Computing kpt #: 267 total cpu time spent up to now is 647.7 secs Computing kpt #: 268 total cpu time spent up to now is 649.9 secs Computing kpt #: 269 total cpu time spent up to now is 652.0 secs Computing kpt #: 270 total cpu time spent up to now is 654.4 secs Computing kpt #: 271 total cpu time spent up to now is 656.6 secs Computing kpt #: 272 total cpu time spent up to now is 658.8 secs Computing kpt #: 273 total cpu time spent up to now is 661.0 secs Computing kpt #: 274 total cpu time spent up to now is 664.2 secs Computing kpt #: 275 total cpu time spent up to now is 666.4 secs Computing kpt #: 276 total cpu time spent up to now is 668.6 secs Computing kpt #: 277 total cpu time spent up to now is 670.8 secs Computing kpt #: 278 total cpu time spent up to now is 673.0 secs Computing kpt #: 279 total cpu time spent up to now is 675.2 secs Computing kpt #: 280 total cpu time spent up to now is 677.4 secs Computing kpt #: 281 total cpu time spent up to now is 679.9 secs Computing kpt #: 282 total cpu time spent up to now is 682.2 secs Computing kpt #: 283 total cpu time spent up to now is 684.6 secs Computing kpt #: 284 total cpu time spent up to now is 686.9 secs Computing kpt #: 285 total cpu time spent up to now is 689.4 secs Computing kpt #: 286 total cpu time spent up to now is 692.0 secs Computing kpt #: 287 total cpu time spent up to now is 694.2 secs Computing kpt #: 288 total cpu time spent up to now is 696.9 secs Computing kpt #: 289 total cpu time spent up to now is 699.1 secs Computing kpt #: 290 total cpu time spent up to now is 701.3 secs Computing kpt #: 291 total cpu time spent up to now is 703.4 secs Computing kpt #: 292 total cpu time spent up to now is 705.7 secs Computing kpt #: 293 total cpu time spent up to now is 707.9 secs Computing kpt #: 294 total cpu time spent up to now is 710.0 secs Computing kpt #: 295 total cpu time spent up to now is 712.9 secs Computing kpt #: 296 total cpu time spent up to now is 715.1 secs Computing kpt #: 297 total cpu time spent up to now is 717.2 secs Computing kpt #: 298 total cpu time spent up to now is 719.5 secs Computing kpt #: 299 total cpu time spent up to now is 721.6 secs Computing kpt #: 300 total cpu time spent up to now is 723.8 secs Computing kpt #: 301 total cpu time spent up to now is 726.0 secs Computing kpt #: 302 total cpu time spent up to now is 728.1 secs Computing kpt #: 303 total cpu time spent up to now is 730.6 secs Computing kpt #: 304 total cpu time spent up to now is 732.8 secs Computing kpt #: 305 total cpu time spent up to now is 734.9 secs Computing kpt #: 306 total cpu time spent up to now is 737.0 secs Computing kpt #: 307 total cpu time spent up to now is 739.1 secs Computing kpt #: 308 total cpu time spent up to now is 741.1 secs Computing kpt #: 309 total cpu time spent up to now is 743.1 secs Computing kpt #: 310 total cpu time spent up to now is 745.2 secs Computing kpt #: 311 total cpu time spent up to now is 747.5 secs Computing kpt #: 312 total cpu time spent up to now is 749.9 secs Computing kpt #: 313 total cpu time spent up to now is 751.7 secs Computing kpt #: 314 total cpu time spent up to now is 753.6 secs Computing kpt #: 315 total cpu time spent up to now is 755.6 secs Computing kpt #: 316 total cpu time spent up to now is 757.7 secs Computing kpt #: 317 total cpu time spent up to now is 760.4 secs Computing kpt #: 318 total cpu time spent up to now is 762.4 secs Computing kpt #: 319 total cpu time spent up to now is 764.4 secs Computing kpt #: 320 total cpu time spent up to now is 766.4 secs Computing kpt #: 321 total cpu time spent up to now is 768.3 secs Computing kpt #: 322 total cpu time spent up to now is 770.2 secs Computing kpt #: 323 total cpu time spent up to now is 772.4 secs Computing kpt #: 324 total cpu time spent up to now is 774.6 secs Computing kpt #: 325 total cpu time spent up to now is 776.8 secs Computing kpt #: 326 total cpu time spent up to now is 779.1 secs Computing kpt #: 327 total cpu time spent up to now is 781.4 secs Computing kpt #: 328 total cpu time spent up to now is 783.6 secs Computing kpt #: 329 total cpu time spent up to now is 786.0 secs Computing kpt #: 330 total cpu time spent up to now is 788.3 secs Computing kpt #: 331 total cpu time spent up to now is 790.6 secs Computing kpt #: 332 total cpu time spent up to now is 792.8 secs Computing kpt #: 333 total cpu time spent up to now is 795.0 secs Computing kpt #: 334 total cpu time spent up to now is 797.2 secs Computing kpt #: 335 total cpu time spent up to now is 799.4 secs Computing kpt #: 336 total cpu time spent up to now is 801.9 secs Computing kpt #: 337 total cpu time spent up to now is 804.1 secs Computing kpt #: 338 total cpu time spent up to now is 806.4 secs Computing kpt #: 339 total cpu time spent up to now is 808.6 secs Computing kpt #: 340 total cpu time spent up to now is 811.0 secs Computing kpt #: 341 total cpu time spent up to now is 813.1 secs Computing kpt #: 342 total cpu time spent up to now is 815.3 secs Computing kpt #: 343 total cpu time spent up to now is 817.9 secs Computing kpt #: 344 total cpu time spent up to now is 820.3 secs Computing kpt #: 345 total cpu time spent up to now is 822.7 secs Computing kpt #: 346 total cpu time spent up to now is 824.9 secs Computing kpt #: 347 total cpu time spent up to now is 828.2 secs Computing kpt #: 348 total cpu time spent up to now is 830.4 secs Computing kpt #: 349 total cpu time spent up to now is 832.6 secs Computing kpt #: 350 total cpu time spent up to now is 834.9 secs Computing kpt #: 351 total cpu time spent up to now is 837.1 secs Computing kpt #: 352 total cpu time spent up to now is 839.3 secs Computing kpt #: 353 total cpu time spent up to now is 841.3 secs Computing kpt #: 354 total cpu time spent up to now is 843.5 secs Computing kpt #: 355 total cpu time spent up to now is 845.9 secs Computing kpt #: 356 total cpu time spent up to now is 848.1 secs Computing kpt #: 357 total cpu time spent up to now is 850.5 secs Computing kpt #: 358 total cpu time spent up to now is 852.6 secs Computing kpt #: 359 total cpu time spent up to now is 856.1 secs Computing kpt #: 360 total cpu time spent up to now is 858.2 secs Computing kpt #: 361 total cpu time spent up to now is 860.3 secs Computing kpt #: 362 total cpu time spent up to now is 862.9 secs Computing kpt #: 363 total cpu time spent up to now is 865.0 secs Computing kpt #: 364 total cpu time spent up to now is 867.1 secs Computing kpt #: 365 total cpu time spent up to now is 869.2 secs Computing kpt #: 366 total cpu time spent up to now is 871.4 secs ethr = 1.92E-11, avg # of iterations = 21.8 total cpu time spent up to now is 871.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5443 PWs) bands (ev): -21.1789 -21.1789 -20.8634 -20.8634 -20.3234 -20.3234 -20.1985 -20.1985 -20.1864 -20.1864 -19.9483 -19.9483 -6.7563 -6.7563 -5.0950 -5.0950 -3.8663 -3.8663 -3.7427 -3.7427 -3.6902 -3.6902 -2.6569 -2.6569 -2.0924 -2.0924 -1.9758 -1.9758 -1.8036 -1.8036 -1.5780 -1.5780 -1.4219 -1.4219 -1.2209 -1.2209 -1.1451 -1.1451 -1.0390 -1.0390 -1.0318 -1.0318 -0.9223 -0.9223 -0.6515 -0.6515 -0.4797 -0.4797 -0.4419 -0.4419 1.1641 1.1641 6.2084 6.2084 7.6818 7.6818 8.3915 8.3915 9.1088 9.1088 9.4951 9.4951 k = 0.0078 0.0118-0.0000 ( 5439 PWs) bands (ev): -21.1787 -21.1787 -20.8634 -20.8634 -20.3232 -20.3232 -20.1986 -20.1986 -20.1866 -20.1866 -19.9485 -19.9485 -6.7561 -6.7561 -5.0985 -5.0985 -3.8646 -3.8646 -3.7415 -3.7415 -3.6894 -3.6894 -2.6564 -2.6564 -2.0963 -2.0963 -1.9760 -1.9760 -1.8011 -1.8011 -1.5782 -1.5782 -1.4219 -1.4219 -1.2212 -1.2212 -1.1443 -1.1443 -1.0385 -1.0385 -1.0311 -1.0311 -0.9220 -0.9220 -0.6517 -0.6517 -0.4797 -0.4797 -0.4407 -0.4407 1.1635 1.1635 6.2096 6.2096 7.6811 7.6811 8.3877 8.3877 9.1074 9.1074 9.4941 9.4941 k = 0.0157 0.0236-0.0000 ( 5449 PWs) bands (ev): -21.1779 -21.1779 -20.8635 -20.8635 -20.3226 -20.3226 -20.1989 -20.1989 -20.1871 -20.1871 -19.9491 -19.9491 -6.7558 -6.7558 -5.1088 -5.1088 -3.8597 -3.8597 -3.7380 -3.7380 -3.6873 -3.6873 -2.6550 -2.6550 -2.1077 -2.1077 -1.9766 -1.9766 -1.7942 -1.7942 -1.5789 -1.5789 -1.4220 -1.4220 -1.2222 -1.2222 -1.1419 -1.1419 -1.0373 -1.0373 -1.0292 -1.0292 -0.9212 -0.9212 -0.6521 -0.6521 -0.4797 -0.4797 -0.4370 -0.4370 1.1615 1.1615 6.2133 6.2133 7.6790 7.6790 8.3765 8.3765 9.1030 9.1030 9.4913 9.4913 k = 0.0235 0.0354-0.0000 ( 5455 PWs) bands (ev): -21.1766 -21.1766 -20.8636 -20.8636 -20.3216 -20.3216 -20.1994 -20.1994 -20.1880 -20.1880 -19.9502 -19.9502 -6.7551 -6.7551 -5.1256 -5.1256 -3.8518 -3.8518 -3.7321 -3.7321 -3.6837 -3.6837 -2.6527 -2.6527 -2.1256 -2.1256 -1.9773 -1.9773 -1.7840 -1.7840 -1.5799 -1.5799 -1.4221 -1.4221 -1.2239 -1.2239 -1.1380 -1.1380 -1.0352 -1.0352 -1.0259 -1.0259 -0.9198 -0.9198 -0.6528 -0.6528 -0.4799 -0.4799 -0.4308 -0.4308 1.1582 1.1582 6.2193 6.2193 7.6756 7.6756 8.3581 8.3581 9.0959 9.0959 9.4866 9.4866 k = 0.0313 0.0472-0.0000 ( 5451 PWs) bands (ev): -21.1748 -21.1748 -20.8637 -20.8637 -20.3202 -20.3202 -20.2001 -20.2001 -20.1892 -20.1892 -19.9517 -19.9517 -6.7542 -6.7542 -5.1486 -5.1486 -3.8413 -3.8413 -3.7239 -3.7239 -3.6786 -3.6786 -2.6494 -2.6494 -2.1488 -2.1488 -1.9781 -1.9781 -1.7717 -1.7717 -1.5812 -1.5812 -1.4223 -1.4223 -1.2262 -1.2262 -1.1325 -1.1325 -1.0324 -1.0323 -1.0214 -1.0214 -0.9180 -0.9180 -0.6538 -0.6538 -0.4801 -0.4801 -0.4220 -0.4220 1.1536 1.1536 6.2278 6.2278 7.6709 7.6709 8.3332 8.3332 9.0862 9.0862 9.4802 9.4803 k = 0.0391 0.0590-0.0000 ( 5443 PWs) bands (ev): -21.1725 -21.1725 -20.8639 -20.8639 -20.3183 -20.3183 -20.2011 -20.2011 -20.1908 -20.1908 -19.9535 -19.9535 -6.7530 -6.7530 -5.1772 -5.1772 -3.8288 -3.8288 -3.7133 -3.7133 -3.6720 -3.6720 -2.6453 -2.6453 -2.1762 -2.1762 -1.9788 -1.9788 -1.7586 -1.7586 -1.5826 -1.5826 -1.4224 -1.4224 -1.2292 -1.2292 -1.1257 -1.1257 -1.0287 -1.0287 -1.0158 -1.0158 -0.9158 -0.9158 -0.6551 -0.6551 -0.4805 -0.4805 -0.4107 -0.4107 1.1478 1.1478 6.2387 6.2387 7.6650 7.6650 8.3023 8.3023 9.0740 9.0740 9.4723 9.4724 k = 0.0470 0.0708-0.0000 ( 5439 PWs) bands (ev): -21.1697 -21.1697 -20.8642 -20.8642 -20.3161 -20.3161 -20.2022 -20.2022 -20.1926 -20.1926 -19.9558 -19.9558 -6.7515 -6.7515 -5.2110 -5.2110 -3.8148 -3.8148 -3.7005 -3.7005 -3.6637 -3.6637 -2.6402 -2.6402 -2.2069 -2.2069 -1.9797 -1.9797 -1.7454 -1.7454 -1.5839 -1.5839 -1.4225 -1.4225 -1.2328 -1.2328 -1.1174 -1.1174 -1.0242 -1.0242 -1.0092 -1.0092 -0.9133 -0.9133 -0.6567 -0.6567 -0.4810 -0.4810 -0.3966 -0.3966 1.1408 1.1408 6.2520 6.2520 7.6579 7.6579 8.2662 8.2663 9.0595 9.0595 9.4630 9.4631 k = 0.0548 0.0826-0.0000 ( 5435 PWs) bands (ev): -21.1664 -21.1664 -20.8645 -20.8645 -20.3134 -20.3134 -20.2035 -20.2035 -20.1948 -20.1948 -19.9585 -19.9585 -6.7497 -6.7497 -5.2492 -5.2492 -3.7997 -3.7997 -3.6858 -3.6858 -3.6535 -3.6535 -2.6343 -2.6343 -2.2402 -2.2402 -1.9808 -1.9808 -1.7329 -1.7329 -1.5850 -1.5850 -1.4225 -1.4225 -1.2370 -1.2370 -1.1079 -1.1079 -1.0190 -1.0190 -1.0018 -1.0018 -0.9106 -0.9106 -0.6585 -0.6585 -0.4818 -0.4818 -0.3800 -0.3799 1.1327 1.1327 6.2676 6.2676 7.6498 7.6498 8.2258 8.2258 9.0428 9.0428 9.4524 9.4524 k = 0.0626 0.0944-0.0000 ( 5419 PWs) bands (ev): -21.1627 -21.1627 -20.8648 -20.8648 -20.3104 -20.3104 -20.2050 -20.2050 -20.1973 -20.1973 -19.9616 -19.9616 -6.7476 -6.7476 -5.2913 -5.2913 -3.7838 -3.7838 -3.6699 -3.6699 -3.6411 -3.6411 -2.6276 -2.6276 -2.2755 -2.2755 -1.9821 -1.9821 -1.7215 -1.7215 -1.5857 -1.5857 -1.4223 -1.4223 -1.2419 -1.2419 -1.0972 -1.0972 -1.0129 -1.0129 -0.9937 -0.9937 -0.9078 -0.9078 -0.6606 -0.6606 -0.4828 -0.4828 -0.3606 -0.3606 1.1234 1.1234 6.2856 6.2856 7.6407 7.6407 8.1818 8.1819 9.0240 9.0240 9.4405 9.4405 k = 0.0704 0.1062-0.0000 ( 5415 PWs) bands (ev): -21.1584 -21.1584 -20.8653 -20.8653 -20.3070 -20.3070 -20.2068 -20.2068 -20.2001 -20.2001 -19.9651 -19.9651 -6.7452 -6.7452 -5.3369 -5.3369 -3.7673 -3.7673 -3.6535 -3.6535 -3.6259 -3.6259 -2.6202 -2.6202 -2.3125 -2.3124 -1.9838 -1.9838 -1.7114 -1.7114 -1.5857 -1.5857 -1.4220 -1.4220 -1.2475 -1.2475 -1.0853 -1.0853 -1.0061 -1.0061 -0.9851 -0.9851 -0.9048 -0.9048 -0.6629 -0.6629 -0.4840 -0.4840 -0.3386 -0.3386 1.1132 1.1132 6.3058 6.3058 7.6308 7.6308 8.1351 8.1351 9.0033 9.0033 9.4274 9.4274 k = 0.0783 0.1180-0.0000 ( 5407 PWs) bands (ev): -21.1537 -21.1537 -20.8657 -20.8657 -20.3032 -20.3032 -20.2087 -20.2087 -20.2031 -20.2031 -19.9690 -19.9690 -6.7425 -6.7425 -5.3854 -5.3854 -3.7501 -3.7501 -3.6373 -3.6373 -3.6078 -3.6078 -2.6120 -2.6120 -2.3507 -2.3506 -1.9860 -1.9860 -1.7028 -1.7028 -1.5850 -1.5850 -1.4215 -1.4215 -1.2538 -1.2538 -1.0725 -1.0725 -0.9985 -0.9985 -0.9762 -0.9762 -0.9018 -0.9018 -0.6655 -0.6655 -0.4856 -0.4856 -0.3140 -0.3140 1.1020 1.1020 6.3283 6.3283 7.6201 7.6201 8.0863 8.0863 8.9806 8.9806 9.4131 9.4132 k = 0.0861 0.1298-0.0000 ( 5397 PWs) bands (ev): -21.1485 -21.1485 -20.8663 -20.8663 -20.2990 -20.2990 -20.2108 -20.2108 -20.2064 -20.2064 -19.9732 -19.9732 -6.7394 -6.7393 -5.4363 -5.4363 -3.7324 -3.7324 -3.6213 -3.6213 -3.5871 -3.5871 -2.6032 -2.6032 -2.3898 -2.3898 -1.9888 -1.9888 -1.6959 -1.6959 -1.5832 -1.5832 -1.4207 -1.4207 -1.2609 -1.2609 -1.0588 -1.0588 -0.9902 -0.9902 -0.9670 -0.9670 -0.8987 -0.8987 -0.6683 -0.6683 -0.4875 -0.4875 -0.2868 -0.2868 1.0900 1.0900 6.3529 6.3529 7.6088 7.6088 8.0362 8.0363 8.9560 8.9560 9.3977 9.3977 k = 0.0939 0.1416-0.0000 ( 5393 PWs) bands (ev): -21.1429 -21.1429 -20.8670 -20.8670 -20.2945 -20.2945 -20.2131 -20.2131 -20.2099 -20.2098 -19.9778 -19.9778 -6.7358 -6.7358 -5.4894 -5.4894 -3.7140 -3.7140 -3.6051 -3.6051 -3.5646 -3.5646 -2.5939 -2.5939 -2.4296 -2.4296 -1.9921 -1.9921 -1.6908 -1.6908 -1.5803 -1.5803 -1.4197 -1.4197 -1.2688 -1.2688 -1.0442 -1.0442 -0.9813 -0.9813 -0.9578 -0.9578 -0.8956 -0.8956 -0.6712 -0.6712 -0.4898 -0.4898 -0.2571 -0.2570 1.0772 1.0772 6.3797 6.3797 7.5968 7.5969 7.9854 7.9855 8.9296 8.9296 9.3811 9.3811 k = 0.1018 0.1534-0.0000 ( 5393 PWs) bands (ev): -21.1368 -21.1368 -20.8677 -20.8677 -20.2897 -20.2897 -20.2157 -20.2157 -20.2134 -20.2134 -19.9828 -19.9828 -6.7320 -6.7320 -5.5441 -5.5441 -3.6948 -3.6948 -3.5885 -3.5885 -3.5409 -3.5409 -2.5846 -2.5846 -2.4695 -2.4695 -1.9961 -1.9961 -1.6873 -1.6873 -1.5762 -1.5762 -1.4184 -1.4184 -1.2776 -1.2776 -1.0290 -1.0290 -0.9717 -0.9717 -0.9487 -0.9487 -0.8924 -0.8924 -0.6744 -0.6744 -0.4926 -0.4926 -0.2249 -0.2249 1.0638 1.0638 6.4085 6.4085 7.5843 7.5843 7.9346 7.9347 8.9013 8.9013 9.3634 9.3634 k = 0.1096 0.1652-0.0000 ( 5397 PWs) bands (ev): -21.1303 -21.1303 -20.8685 -20.8685 -20.2846 -20.2846 -20.2188 -20.2188 -20.2169 -20.2169 -19.9880 -19.9880 -6.7277 -6.7277 -5.6003 -5.6003 -3.6749 -3.6749 -3.5711 -3.5711 -3.5166 -3.5166 -2.5764 -2.5764 -2.5082 -2.5082 -2.0006 -2.0006 -1.6856 -1.6856 -1.5708 -1.5708 -1.4169 -1.4169 -1.2873 -1.2873 -1.0132 -1.0132 -0.9616 -0.9616 -0.9398 -0.9398 -0.8891 -0.8891 -0.6776 -0.6776 -0.4958 -0.4958 -0.1905 -0.1905 1.0498 1.0498 6.4393 6.4393 7.5711 7.5712 7.8844 7.8845 8.8712 8.8712 9.3446 9.3446 k = 0.1174 0.1770-0.0000 ( 5397 PWs) bands (ev): -21.1235 -21.1235 -20.8695 -20.8695 -20.2792 -20.2792 -20.2225 -20.2225 -20.2200 -20.2200 -19.9937 -19.9937 -6.7229 -6.7229 -5.6576 -5.6576 -3.6541 -3.6541 -3.5531 -3.5531 -3.4919 -3.4919 -2.5776 -2.5776 -2.5373 -2.5373 -2.0058 -2.0058 -1.6856 -1.6856 -1.5640 -1.5640 -1.4151 -1.4151 -1.2980 -1.2980 -0.9970 -0.9970 -0.9510 -0.9510 -0.9312 -0.9312 -0.8858 -0.8858 -0.6809 -0.6809 -0.4995 -0.4995 -0.1538 -0.1538 1.0354 1.0354 6.4719 6.4719 7.5572 7.5572 7.8354 7.8355 8.8393 8.8393 9.3247 9.3247 k = 0.1252 0.1887-0.0000 ( 5389 PWs) bands (ev): -21.1162 -21.1162 -20.8705 -20.8705 -20.2735 -20.2735 -20.2266 -20.2266 -20.2230 -20.2230 -19.9996 -19.9996 -6.7177 -6.7177 -5.7158 -5.7158 -3.6324 -3.6324 -3.5344 -3.5344 -3.4670 -3.4670 -2.6057 -2.6057 -2.5392 -2.5392 -2.0114 -2.0114 -1.6873 -1.6873 -1.5559 -1.5558 -1.4130 -1.4130 -1.3097 -1.3097 -0.9805 -0.9805 -0.9399 -0.9399 -0.9231 -0.9231 -0.8825 -0.8825 -0.6842 -0.6842 -0.5038 -0.5038 -0.1150 -0.1150 1.0206 1.0206 6.5063 6.5063 7.5422 7.5423 7.7884 7.7885 8.8057 8.8057 9.3037 9.3037 k = 0.1331 0.2005-0.0000 ( 5399 PWs) bands (ev): -21.1086 -21.1086 -20.8717 -20.8717 -20.2676 -20.2676 -20.2309 -20.2309 -20.2261 -20.2261 -20.0058 -20.0058 -6.7120 -6.7120 -5.7746 -5.7746 -3.6098 -3.6098 -3.5149 -3.5149 -3.4422 -3.4422 -2.6449 -2.6449 -2.5297 -2.5297 -2.0175 -2.0175 -1.6905 -1.6905 -1.5464 -1.5464 -1.4107 -1.4107 -1.3224 -1.3224 -0.9640 -0.9640 -0.9286 -0.9286 -0.9154 -0.9154 -0.8791 -0.8791 -0.6874 -0.6874 -0.5087 -0.5087 -0.0742 -0.0742 1.0056 1.0056 6.5423 6.5423 7.5257 7.5258 7.7443 7.7444 8.7703 8.7703 9.2817 9.2817 k = 0.1409 0.2123-0.0000 ( 5399 PWs) bands (ev): -21.1006 -21.1006 -20.8730 -20.8730 -20.2616 -20.2616 -20.2351 -20.2351 -20.2291 -20.2291 -20.0122 -20.0122 -6.7058 -6.7058 -5.8339 -5.8339 -3.5864 -3.5864 -3.4948 -3.4948 -3.4174 -3.4174 -2.6861 -2.6861 -2.5179 -2.5179 -2.0239 -2.0239 -1.6951 -1.6951 -1.5356 -1.5356 -1.4082 -1.4082 -1.3362 -1.3362 -0.9477 -0.9477 -0.9171 -0.9171 -0.9079 -0.9079 -0.8757 -0.8757 -0.6904 -0.6904 -0.5142 -0.5142 -0.0316 -0.0316 0.9905 0.9905 6.5798 6.5798 7.5071 7.5071 7.7041 7.7042 8.7333 8.7333 9.2587 9.2587 k = 0.1487 0.2241-0.0000 ( 5403 PWs) bands (ev): -21.0923 -21.0923 -20.8744 -20.8744 -20.2560 -20.2560 -20.2389 -20.2389 -20.2322 -20.2322 -20.0190 -20.0190 -6.6991 -6.6991 -5.8935 -5.8935 -3.5621 -3.5621 -3.4742 -3.4742 -3.3928 -3.3928 -2.7277 -2.7277 -2.5051 -2.5051 -2.0306 -2.0306 -1.7011 -1.7011 -1.5236 -1.5236 -1.4055 -1.4055 -1.3509 -1.3509 -0.9319 -0.9319 -0.9063 -0.9063 -0.9001 -0.9001 -0.8723 -0.8723 -0.6930 -0.6930 -0.5203 -0.5203 0.0127 0.0127 0.9754 0.9754 6.6186 6.6186 7.4854 7.4855 7.6690 7.6691 8.6947 8.6947 9.2347 9.2348 k = 0.1566 0.2359-0.0000 ( 5397 PWs) bands (ev): -21.0837 -21.0837 -20.8759 -20.8759 -20.2525 -20.2525 -20.2409 -20.2409 -20.2350 -20.2349 -20.0259 -20.0259 -6.6919 -6.6919 -5.9532 -5.9532 -3.5370 -3.5370 -3.4531 -3.4531 -3.3683 -3.3683 -2.7694 -2.7694 -2.4918 -2.4918 -2.0373 -2.0373 -1.7084 -1.7084 -1.5104 -1.5104 -1.4027 -1.4027 -1.3665 -1.3665 -0.9175 -0.9175 -0.8975 -0.8975 -0.8900 -0.8900 -0.8690 -0.8690 -0.6952 -0.6952 -0.5271 -0.5271 0.0587 0.0587 0.9604 0.9604 6.6584 6.6584 7.4603 7.4603 7.6400 7.6401 8.6546 8.6546 9.2099 9.2099 k = 0.1644 0.2477-0.0000 ( 5385 PWs) bands (ev): -21.0748 -21.0747 -20.8776 -20.8776 -20.2536 -20.2536 -20.2412 -20.2412 -20.2347 -20.2347 -20.0331 -20.0331 -6.6841 -6.6841 -6.0129 -6.0129 -3.5112 -3.5112 -3.4314 -3.4314 -3.3440 -3.3440 -2.8110 -2.8110 -2.4782 -2.4782 -2.0441 -2.0441 -1.7168 -1.7168 -1.4962 -1.4962 -1.4005 -1.4005 -1.3823 -1.3823 -0.9060 -0.9060 -0.8890 -0.8890 -0.8784 -0.8784 -0.8656 -0.8656 -0.6965 -0.6965 -0.5346 -0.5346 0.1060 0.1060 0.9456 0.9456 6.6990 6.6990 7.4317 7.4317 7.6172 7.6173 8.6129 8.6130 9.1842 9.1843 k = 0.1722 0.2595-0.0000 ( 5387 PWs) bands (ev): -21.0656 -21.0656 -20.8795 -20.8795 -20.2574 -20.2574 -20.2438 -20.2438 -20.2294 -20.2294 -20.0405 -20.0405 -6.6757 -6.6757 -6.0724 -6.0724 -3.4848 -3.4848 -3.4094 -3.4094 -3.3199 -3.3199 -2.8522 -2.8522 -2.4642 -2.4642 -2.0506 -2.0506 -1.7264 -1.7264 -1.4811 -1.4811 -1.4053 -1.4053 -1.3919 -1.3919 -0.8988 -0.8988 -0.8787 -0.8787 -0.8669 -0.8669 -0.8620 -0.8620 -0.6967 -0.6967 -0.5427 -0.5427 0.1547 0.1547 0.9312 0.9312 6.7401 6.7401 7.4005 7.4006 7.6002 7.6003 8.5700 8.5700 9.1578 9.1578 k = 0.1800 0.2713-0.0000 ( 5375 PWs) bands (ev): -21.0561 -21.0561 -20.8815 -20.8815 -20.2619 -20.2619 -20.2471 -20.2471 -20.2224 -20.2224 -20.0481 -20.0481 -6.6668 -6.6668 -6.1316 -6.1316 -3.4580 -3.4580 -3.3869 -3.3869 -3.2959 -3.2959 -2.8929 -2.8929 -2.4501 -2.4501 -2.0568 -2.0568 -1.7369 -1.7369 -1.4652 -1.4652 -1.4218 -1.4218 -1.3904 -1.3904 -0.8950 -0.8950 -0.8678 -0.8678 -0.8600 -0.8600 -0.8537 -0.8537 -0.6955 -0.6955 -0.5516 -0.5516 0.2045 0.2045 0.9171 0.9171 6.7811 6.7811 7.3683 7.3683 7.5880 7.5881 8.5257 8.5257 9.1307 9.1307 k = 0.1879 0.2831-0.0000 ( 5371 PWs) bands (ev): -21.0465 -21.0465 -20.8837 -20.8837 -20.2666 -20.2666 -20.2507 -20.2507 -20.2150 -20.2150 -20.0559 -20.0559 -6.6573 -6.6573 -6.1905 -6.1905 -3.4312 -3.4312 -3.3638 -3.3638 -3.2720 -3.2720 -2.9330 -2.9330 -2.4358 -2.4358 -2.0626 -2.0626 -1.7483 -1.7483 -1.4505 -1.4505 -1.4390 -1.4390 -1.3871 -1.3871 -0.8932 -0.8932 -0.8602 -0.8602 -0.8543 -0.8543 -0.8424 -0.8424 -0.6924 -0.6924 -0.5610 -0.5610 0.2553 0.2553 0.9035 0.9035 6.8213 6.8213 7.3363 7.3364 7.5799 7.5800 8.4803 8.4803 9.1029 9.1029 k = 0.1957 0.2949-0.0000 ( 5367 PWs) bands (ev): -21.0366 -21.0366 -20.8860 -20.8860 -20.2713 -20.2713 -20.2544 -20.2544 -20.2072 -20.2072 -20.0638 -20.0638 -6.6472 -6.6471 -6.2488 -6.2488 -3.4048 -3.4048 -3.3400 -3.3400 -3.2482 -3.2482 -2.9722 -2.9722 -2.4215 -2.4215 -2.0678 -2.0678 -1.7605 -1.7605 -1.4628 -1.4628 -1.4296 -1.4296 -1.3835 -1.3835 -0.8929 -0.8929 -0.8571 -0.8571 -0.8466 -0.8466 -0.8311 -0.8311 -0.6871 -0.6871 -0.5711 -0.5711 0.3069 0.3069 0.8905 0.8905 6.8599 6.8599 7.3063 7.3063 7.5751 7.5751 8.4339 8.4339 9.0745 9.0746 k = 0.2035 0.3067-0.0000 ( 5379 PWs) bands (ev): -21.0266 -21.0266 -20.8885 -20.8885 -20.2761 -20.2761 -20.2581 -20.2581 -20.1991 -20.1991 -20.0718 -20.0718 -6.6364 -6.6364 -6.3065 -6.3065 -3.3795 -3.3795 -3.3149 -3.3149 -3.2247 -3.2247 -3.0105 -3.0105 -2.4071 -2.4071 -2.0722 -2.0722 -1.7734 -1.7734 -1.4836 -1.4836 -1.4120 -1.4120 -1.3797 -1.3797 -0.8938 -0.8938 -0.8553 -0.8553 -0.8407 -0.8407 -0.8198 -0.8198 -0.6795 -0.6795 -0.5817 -0.5817 0.3593 0.3593 0.8782 0.8782 6.8953 6.8953 7.2798 7.2798 7.5731 7.5732 8.3866 8.3866 9.0456 9.0457 k = 0.2113 0.3185-0.0000 ( 5383 PWs) bands (ev): -21.0165 -21.0165 -20.8912 -20.8912 -20.2808 -20.2808 -20.2619 -20.2619 -20.1909 -20.1909 -20.0799 -20.0799 -6.6251 -6.6251 -6.3636 -6.3636 -3.3561 -3.3561 -3.2884 -3.2884 -3.2015 -3.2015 -3.0471 -3.0471 -2.3927 -2.3927 -2.0757 -2.0757 -1.7869 -1.7869 -1.5053 -1.5053 -1.3937 -1.3937 -1.3758 -1.3758 -0.8959 -0.8959 -0.8543 -0.8543 -0.8374 -0.8374 -0.8085 -0.8085 -0.6696 -0.6696 -0.5928 -0.5928 0.4122 0.4122 0.8667 0.8667 6.9255 6.9255 7.2591 7.2591 7.5738 7.5739 8.3386 8.3386 9.0163 9.0163 k = 0.2192 0.3303-0.0000 ( 5385 PWs) bands (ev): -21.0062 -21.0062 -20.8940 -20.8940 -20.2855 -20.2855 -20.2657 -20.2657 -20.1826 -20.1826 -20.0882 -20.0882 -6.6133 -6.6132 -6.4198 -6.4198 -3.3353 -3.3353 -3.2602 -3.2602 -3.1794 -3.1794 -3.0809 -3.0809 -2.3784 -2.3784 -2.0783 -2.0782 -1.8010 -1.8010 -1.5277 -1.5276 -1.3753 -1.3753 -1.3715 -1.3715 -0.8989 -0.8989 -0.8539 -0.8539 -0.8365 -0.8365 -0.7974 -0.7974 -0.6579 -0.6579 -0.6042 -0.6042 0.4654 0.4654 0.8559 0.8559 6.9478 6.9478 7.2467 7.2467 7.5770 7.5771 8.2900 8.2900 8.9864 8.9865 k = 0.2270 0.3421-0.0000 ( 5381 PWs) bands (ev): -20.9958 -20.9958 -20.8970 -20.8970 -20.2901 -20.2901 -20.2695 -20.2695 -20.1741 -20.1741 -20.0965 -20.0965 -6.6008 -6.6008 -6.4751 -6.4751 -3.3178 -3.3178 -3.2308 -3.2308 -3.1621 -3.1621 -3.1071 -3.1071 -2.3642 -2.3642 -2.0796 -2.0796 -1.8155 -1.8155 -1.5505 -1.5505 -1.3682 -1.3682 -1.3559 -1.3559 -0.9028 -0.9028 -0.8542 -0.8542 -0.8375 -0.8375 -0.7869 -0.7869 -0.6446 -0.6446 -0.6158 -0.6158 0.5189 0.5189 0.8461 0.8461 6.9597 6.9597 7.2448 7.2448 7.5828 7.5828 8.2410 8.2410 8.9561 8.9562 k = 0.2348 0.3539-0.0000 ( 5385 PWs) bands (ev): -20.9854 -20.9854 -20.9002 -20.9002 -20.2945 -20.2945 -20.2733 -20.2733 -20.1656 -20.1656 -20.1048 -20.1048 -6.5880 -6.5880 -6.5293 -6.5293 -3.3045 -3.3045 -3.2037 -3.2037 -3.1617 -3.1617 -3.1095 -3.1095 -2.3501 -2.3501 -2.0796 -2.0796 -1.8305 -1.8305 -1.5737 -1.5737 -1.3643 -1.3643 -1.3371 -1.3371 -0.9075 -0.9075 -0.8554 -0.8554 -0.8401 -0.8401 -0.7772 -0.7772 -0.6316 -0.6316 -0.6259 -0.6258 0.5723 0.5723 0.8373 0.8373 6.9603 6.9603 7.2537 7.2537 7.5912 7.5913 8.1920 8.1920 8.9253 8.9254 k = 0.2427 0.3657-0.0000 ( 5401 PWs) bands (ev): -20.9749 -20.9749 -20.9035 -20.9035 -20.2988 -20.2988 -20.2771 -20.2771 -20.1570 -20.1570 -20.1132 -20.1132 -6.5866 -6.5866 -6.5705 -6.5705 -3.2975 -3.2975 -3.1989 -3.1988 -3.1535 -3.1535 -3.0907 -3.0907 -2.3362 -2.3362 -2.0783 -2.0783 -1.8458 -1.8458 -1.5972 -1.5972 -1.3606 -1.3605 -1.3185 -1.3185 -0.9129 -0.9128 -0.8574 -0.8574 -0.8439 -0.8439 -0.7688 -0.7688 -0.6387 -0.6386 -0.6146 -0.6146 0.6255 0.6255 0.8296 0.8296 6.9515 6.9516 7.2708 7.2708 7.6025 7.6026 8.1431 8.1431 8.8940 8.8940 k = 0.2505 0.3775-0.0000 ( 5389 PWs) bands (ev): -20.9644 -20.9644 -20.9069 -20.9069 -20.3030 -20.3030 -20.2808 -20.2808 -20.1484 -20.1484 -20.1216 -20.1216 -6.6365 -6.6365 -6.5587 -6.5587 -3.3005 -3.3005 -3.2108 -3.2108 -3.1240 -3.1240 -3.0662 -3.0662 -2.3226 -2.3226 -2.0755 -2.0755 -1.8613 -1.8613 -1.6208 -1.6208 -1.3569 -1.3569 -1.3003 -1.3002 -0.9185 -0.9185 -0.8605 -0.8605 -0.8486 -0.8486 -0.7623 -0.7623 -0.6481 -0.6481 -0.5992 -0.5992 0.6778 0.6779 0.8235 0.8235 6.9364 6.9364 7.2925 7.2925 7.6170 7.6170 8.0947 8.0947 8.8620 8.8621 k = 0.2583 0.3893-0.0000 ( 5379 PWs) bands (ev): -20.9540 -20.9539 -20.9105 -20.9105 -20.3070 -20.3070 -20.2845 -20.2845 -20.1397 -20.1397 -20.1299 -20.1299 -6.6876 -6.6876 -6.5441 -6.5441 -3.3154 -3.3154 -3.2167 -3.2167 -3.0913 -3.0912 -3.0389 -3.0389 -2.3092 -2.3092 -2.0712 -2.0712 -1.8770 -1.8770 -1.6445 -1.6445 -1.3535 -1.3534 -1.2826 -1.2826 -0.9244 -0.9244 -0.8646 -0.8646 -0.8539 -0.8539 -0.7586 -0.7586 -0.6555 -0.6555 -0.5835 -0.5835 0.7281 0.7281 0.8201 0.8201 6.9174 6.9174 7.3150 7.3151 7.6349 7.6349 8.0471 8.0471 8.8294 8.8295 k = 0.2661 0.4011-0.0000 ( 5378 PWs) bands (ev): -20.9435 -20.9435 -20.9142 -20.9142 -20.3109 -20.3109 -20.2881 -20.2881 -20.1383 -20.1383 -20.1311 -20.1311 -6.7377 -6.7377 -6.5287 -6.5287 -3.3386 -3.3386 -3.2166 -3.2166 -3.0587 -3.0586 -3.0090 -3.0090 -2.2962 -2.2961 -2.0653 -2.0653 -1.8928 -1.8928 -1.6680 -1.6680 -1.3502 -1.3502 -1.2660 -1.2660 -0.9301 -0.9301 -0.8698 -0.8698 -0.8598 -0.8598 -0.7589 -0.7589 -0.6596 -0.6596 -0.5679 -0.5679 0.7704 0.7704 0.8253 0.8253 6.8965 6.8965 7.3357 7.3357 7.6562 7.6562 8.0009 8.0009 8.7962 8.7963 k = 0.2740 0.4129-0.0000 ( 5382 PWs) bands (ev): -20.9333 -20.9333 -20.9180 -20.9180 -20.3146 -20.3146 -20.2917 -20.2917 -20.1465 -20.1465 -20.1225 -20.1225 -6.7867 -6.7867 -6.5128 -6.5128 -3.3657 -3.3657 -3.2144 -3.2144 -3.0273 -3.0273 -2.9761 -2.9761 -2.2835 -2.2835 -2.0579 -2.0579 -1.9086 -1.9086 -1.6913 -1.6912 -1.3471 -1.3471 -1.2506 -1.2506 -0.9353 -0.9353 -0.8761 -0.8761 -0.8661 -0.8660 -0.7635 -0.7635 -0.6600 -0.6600 -0.5524 -0.5524 0.7886 0.7886 0.8548 0.8548 6.8749 6.8749 7.3525 7.3525 7.6807 7.6807 7.9567 7.9568 8.7629 8.7629 k = 0.2818 0.4247-0.0000 ( 5376 PWs) bands (ev): -20.9239 -20.9239 -20.9211 -20.9211 -20.3181 -20.3181 -20.2952 -20.2952 -20.1548 -20.1547 -20.1139 -20.1139 -6.8344 -6.8344 -6.4964 -6.4964 -3.3941 -3.3941 -3.2123 -3.2123 -2.9976 -2.9976 -2.9403 -2.9403 -2.2714 -2.2713 -2.0489 -2.0489 -1.9244 -1.9244 -1.7141 -1.7141 -1.3443 -1.3443 -1.2369 -1.2369 -0.9396 -0.9396 -0.8833 -0.8833 -0.8729 -0.8729 -0.7721 -0.7721 -0.6570 -0.6570 -0.5372 -0.5372 0.7907 0.7907 0.9006 0.9006 6.8532 6.8532 7.3642 7.3642 7.7071 7.7071 7.9160 7.9160 8.7298 8.7299 k = 0.2896 0.4365-0.0000 ( 5384 PWs) bands (ev): -20.9263 -20.9263 -20.9126 -20.9126 -20.3215 -20.3215 -20.2986 -20.2986 -20.1629 -20.1629 -20.1054 -20.1054 -6.8808 -6.8808 -6.4796 -6.4796 -3.4227 -3.4227 -3.2113 -3.2113 -2.9692 -2.9692 -2.9021 -2.9020 -2.2598 -2.2598 -2.0386 -2.0386 -1.9401 -1.9401 -1.7364 -1.7364 -1.3419 -1.3419 -1.2253 -1.2253 -0.9425 -0.9425 -0.8913 -0.8913 -0.8803 -0.8803 -0.7837 -0.7837 -0.6514 -0.6514 -0.5225 -0.5225 0.7897 0.7898 0.9495 0.9496 6.8320 6.8320 7.3699 7.3700 7.7323 7.7323 7.8816 7.8816 8.6981 8.6982 k = 0.2974 0.4483-0.0000 ( 5386 PWs) bands (ev): -20.9303 -20.9303 -20.9027 -20.9027 -20.3247 -20.3247 -20.3019 -20.3019 -20.1709 -20.1709 -20.0970 -20.0970 -6.9258 -6.9258 -6.4623 -6.4623 -3.4509 -3.4509 -3.2118 -3.2118 -2.9416 -2.9416 -2.8620 -2.8620 -2.2488 -2.2488 -2.0270 -2.0270 -1.9556 -1.9556 -1.7580 -1.7579 -1.3397 -1.3397 -1.2162 -1.2162 -0.9437 -0.9437 -0.9000 -0.9000 -0.8884 -0.8884 -0.7972 -0.7972 -0.6443 -0.6443 -0.5082 -0.5082 0.7885 0.7885 0.9987 0.9987 6.8116 6.8116 7.3695 7.3695 7.7479 7.7479 7.8615 7.8615 8.6686 8.6687 k = 0.3053 0.4601-0.0000 ( 5390 PWs) bands (ev): -20.9345 -20.9345 -20.8930 -20.8930 -20.3277 -20.3277 -20.3052 -20.3052 -20.1787 -20.1787 -20.0888 -20.0888 -6.9694 -6.9694 -6.4447 -6.4447 -3.4785 -3.4785 -3.2139 -3.2139 -2.9146 -2.9145 -2.8205 -2.8205 -2.2386 -2.2386 -2.0145 -2.0145 -1.9703 -1.9703 -1.7786 -1.7786 -1.3379 -1.3379 -1.2100 -1.2100 -0.9428 -0.9428 -0.9092 -0.9092 -0.8971 -0.8971 -0.8121 -0.8121 -0.6362 -0.6362 -0.4945 -0.4945 0.7875 0.7875 1.0473 1.0473 6.7920 6.7920 7.3628 7.3628 7.7419 7.7419 7.8667 7.8668 8.6422 8.6423 k = 0.3131 0.4719-0.0000 ( 5396 PWs) bands (ev): -20.9387 -20.9387 -20.8834 -20.8834 -20.3305 -20.3305 -20.3082 -20.3082 -20.1865 -20.1865 -20.0806 -20.0806 -7.0116 -7.0116 -6.4267 -6.4267 -3.5054 -3.5054 -3.2177 -3.2177 -2.8878 -2.8878 -2.7780 -2.7780 -2.2294 -2.2293 -2.0036 -2.0036 -1.9823 -1.9823 -1.7980 -1.7980 -1.3365 -1.3365 -1.2068 -1.2068 -0.9402 -0.9402 -0.9189 -0.9189 -0.9060 -0.9060 -0.8278 -0.8278 -0.6277 -0.6277 -0.4813 -0.4813 0.7870 0.7870 1.0950 1.0950 6.7735 6.7735 7.3501 7.3501 7.7189 7.7189 7.8921 7.8922 8.6195 8.6195 k = 0.3209 0.4837-0.0000 ( 5396 PWs) bands (ev): -20.9429 -20.9429 -20.8741 -20.8741 -20.3331 -20.3331 -20.3112 -20.3112 -20.1940 -20.1940 -20.0726 -20.0726 -7.0523 -7.0523 -6.4085 -6.4085 -3.5313 -3.5313 -3.2232 -3.2232 -2.8612 -2.8612 -2.7347 -2.7347 -2.2211 -2.2211 -2.0067 -2.0067 -1.9790 -1.9790 -1.8161 -1.8160 -1.3356 -1.3356 -1.2067 -1.2067 -0.9378 -0.9378 -0.9284 -0.9284 -0.9136 -0.9136 -0.8440 -0.8440 -0.6189 -0.6189 -0.4687 -0.4687 0.7871 0.7871 1.1416 1.1416 6.7560 6.7561 7.3321 7.3321 7.6898 7.6898 7.9256 7.9256 8.6006 8.6006 k = 0.3288 0.4955-0.0000 ( 5400 PWs) bands (ev): -20.9472 -20.9472 -20.8650 -20.8650 -20.3356 -20.3356 -20.3140 -20.3140 -20.2014 -20.2014 -20.0648 -20.0648 -7.0916 -7.0916 -6.3901 -6.3901 -3.5563 -3.5563 -3.2302 -3.2302 -2.8349 -2.8348 -2.6908 -2.6908 -2.2140 -2.2140 -2.0195 -2.0195 -1.9649 -1.9649 -1.8324 -1.8324 -1.3351 -1.3351 -1.2093 -1.2093 -0.9433 -0.9433 -0.9356 -0.9356 -0.9148 -0.9148 -0.8604 -0.8604 -0.6100 -0.6100 -0.4568 -0.4568 0.7877 0.7877 1.1868 1.1869 6.7397 6.7397 7.3094 7.3094 7.6590 7.6590 7.9619 7.9619 8.5850 8.5850 k = 0.3366 0.5073-0.0000 ( 5402 PWs) bands (ev): -20.9514 -20.9514 -20.8562 -20.8562 -20.3379 -20.3379 -20.3167 -20.3167 -20.2085 -20.2085 -20.0572 -20.0572 -7.1292 -7.1292 -6.3715 -6.3715 -3.5803 -3.5803 -3.2386 -3.2385 -2.8087 -2.8086 -2.6464 -2.6464 -2.2083 -2.2083 -2.0334 -2.0334 -1.9489 -1.9489 -1.8468 -1.8468 -1.3352 -1.3352 -1.2144 -1.2144 -0.9546 -0.9546 -0.9447 -0.9447 -0.9078 -0.9078 -0.8764 -0.8764 -0.6012 -0.6012 -0.4456 -0.4456 0.7888 0.7888 1.2307 1.2307 6.7245 6.7245 7.2832 7.2832 7.6275 7.6275 7.9988 7.9988 8.5713 8.5713 k = 0.3444 0.5191-0.0000 ( 5410 PWs) bands (ev): -20.9556 -20.9556 -20.8477 -20.8477 -20.3400 -20.3400 -20.3193 -20.3193 -20.2155 -20.2155 -20.0498 -20.0498 -7.1653 -7.1653 -6.3529 -6.3529 -3.6032 -3.6032 -3.2482 -3.2482 -2.7827 -2.7827 -2.6017 -2.6017 -2.2041 -2.2041 -2.0472 -2.0472 -1.9325 -1.9325 -1.8587 -1.8587 -1.3359 -1.3359 -1.2214 -1.2214 -0.9675 -0.9675 -0.9555 -0.9555 -0.9013 -0.9013 -0.8882 -0.8882 -0.5926 -0.5926 -0.4351 -0.4351 0.7904 0.7904 1.2731 1.2731 6.7102 6.7102 7.2543 7.2543 7.5956 7.5957 8.0354 8.0354 8.5579 8.5579 k = 0.3522 0.5309-0.0000 ( 5410 PWs) bands (ev): -20.9598 -20.9598 -20.8396 -20.8396 -20.3420 -20.3420 -20.3217 -20.3216 -20.2222 -20.2222 -20.0426 -20.0426 -7.1998 -7.1998 -6.3343 -6.3343 -3.6251 -3.6251 -3.2590 -3.2589 -2.7570 -2.7570 -2.5568 -2.5568 -2.2014 -2.2014 -2.0607 -2.0607 -1.9167 -1.9167 -1.8675 -1.8675 -1.3372 -1.3372 -1.2299 -1.2299 -0.9815 -0.9815 -0.9670 -0.9669 -0.9123 -0.9123 -0.8805 -0.8805 -0.5841 -0.5841 -0.4252 -0.4252 0.7925 0.7925 1.3139 1.3139 6.6970 6.6970 7.2237 7.2237 7.5633 7.5633 8.0711 8.0711 8.5434 8.5434 k = 0.3601 0.5427-0.0000 ( 5410 PWs) bands (ev): -20.9638 -20.9638 -20.8318 -20.8318 -20.3438 -20.3438 -20.3239 -20.3239 -20.2286 -20.2286 -20.0357 -20.0357 -7.2327 -7.2327 -6.3158 -6.3158 -3.6459 -3.6459 -3.2706 -3.2706 -2.7317 -2.7317 -2.5117 -2.5117 -2.2004 -2.2004 -2.0738 -2.0738 -1.9036 -1.9036 -1.8709 -1.8709 -1.3392 -1.3392 -1.2394 -1.2394 -0.9964 -0.9964 -0.9787 -0.9787 -0.9279 -0.9279 -0.8669 -0.8669 -0.5759 -0.5759 -0.4160 -0.4160 0.7949 0.7949 1.3530 1.3530 6.6845 6.6845 7.1924 7.1924 7.5306 7.5306 8.1055 8.1055 8.5278 8.5279 k = 0.3601 0.5427-0.0000 ( 5410 PWs) bands (ev): -20.9638 -20.9638 -20.8318 -20.8318 -20.3438 -20.3438 -20.3239 -20.3239 -20.2286 -20.2286 -20.0357 -20.0357 -7.2327 -7.2327 -6.3158 -6.3158 -3.6459 -3.6459 -3.2706 -3.2706 -2.7317 -2.7317 -2.5117 -2.5117 -2.2004 -2.2004 -2.0738 -2.0738 -1.9036 -1.9036 -1.8709 -1.8709 -1.3392 -1.3392 -1.2394 -1.2394 -0.9964 -0.9964 -0.9787 -0.9787 -0.9279 -0.9279 -0.8669 -0.8669 -0.5759 -0.5759 -0.4160 -0.4160 0.7949 0.7949 1.3530 1.3530 6.6845 6.6845 7.1924 7.1924 7.5306 7.5306 8.1055 8.1055 8.5278 8.5279 k = 0.3462 0.5427-0.0000 ( 5408 PWs) bands (ev): -20.9620 -20.9618 -20.8359 -20.8358 -20.3442 -20.3431 -20.3224 -20.3210 -20.2252 -20.2252 -20.0394 -20.0394 -7.2149 -7.2148 -6.3254 -6.3249 -3.6348 -3.6346 -3.2653 -3.2644 -2.7470 -2.7451 -2.5367 -2.5359 -2.2014 -2.2005 -2.0664 -2.0663 -1.9104 -1.9095 -1.8708 -1.8687 -1.3383 -1.3378 -1.2341 -1.2339 -0.9893 -0.9875 -0.9732 -0.9727 -0.9197 -0.9178 -0.8748 -0.8737 -0.5809 -0.5798 -0.4213 -0.4205 0.7919 0.7938 1.3317 1.3320 6.6825 6.6969 7.1880 7.2332 7.5460 7.5490 8.0839 8.0930 8.5241 8.5468 k = 0.3324 0.5427-0.0000 ( 5410 PWs) bands (ev): -20.9605 -20.9601 -20.8399 -20.8397 -20.3458 -20.3439 -20.3189 -20.3167 -20.2218 -20.2218 -20.0431 -20.0431 -7.1962 -7.1959 -6.3338 -6.3327 -3.6233 -3.6230 -3.2620 -3.2600 -2.7636 -2.7598 -2.5620 -2.5605 -2.2035 -2.2015 -2.0580 -2.0579 -1.9174 -1.9159 -1.8684 -1.8647 -1.3376 -1.3367 -1.2288 -1.2285 -0.9835 -0.9791 -0.9682 -0.9681 -0.9104 -0.9075 -0.8819 -0.8793 -0.5861 -0.5838 -0.4269 -0.4252 0.7876 0.7913 1.3098 1.3100 6.6772 6.7072 7.1849 7.2770 7.5584 7.5657 8.0651 8.0828 8.5171 8.5652 k = 0.3185 0.5427-0.0000 ( 5402 PWs) bands (ev): -20.9596 -20.9589 -20.8437 -20.8434 -20.3480 -20.3458 -20.3142 -20.3116 -20.2183 -20.2183 -20.0468 -20.0468 -7.1765 -7.1763 -6.3407 -6.3391 -3.6115 -3.6110 -3.2610 -3.2578 -2.7809 -2.7754 -2.5877 -2.5853 -2.2066 -2.2034 -2.0487 -2.0487 -1.9237 -1.9216 -1.8646 -1.8595 -1.3372 -1.3358 -1.2236 -1.2232 -0.9791 -0.9717 -0.9646 -0.9630 -0.9013 -0.8990 -0.8869 -0.8816 -0.5914 -0.5880 -0.4326 -0.4300 0.7821 0.7877 1.2873 1.2874 6.6692 6.7144 7.1839 7.3223 7.5675 7.5798 8.0495 8.0753 8.5097 8.5808 k = 0.3047 0.5427-0.0000 ( 5398 PWs) bands (ev): -20.9591 -20.9582 -20.8473 -20.8469 -20.3504 -20.3481 -20.3088 -20.3059 -20.2149 -20.2148 -20.0506 -20.0506 -7.1563 -7.1560 -6.3463 -6.3441 -3.5993 -3.5986 -3.2630 -3.2586 -2.7983 -2.7913 -2.6135 -2.6103 -2.2107 -2.2061 -2.0387 -2.0387 -1.9288 -1.9261 -1.8599 -1.8536 -1.3370 -1.3352 -1.2186 -1.2181 -0.9762 -0.9669 -0.9603 -0.9582 -0.8990 -0.8966 -0.8835 -0.8761 -0.5968 -0.5923 -0.4385 -0.4351 0.7756 0.7829 1.2641 1.2647 6.6591 6.7182 7.1853 7.3673 7.5736 7.5906 8.0372 8.0711 8.5046 8.5933 k = 0.2908 0.5427-0.0000 ( 5396 PWs) bands (ev): -20.9591 -20.9580 -20.8505 -20.8500 -20.3529 -20.3506 -20.3029 -20.2999 -20.2114 -20.2114 -20.0543 -20.0543 -7.1355 -7.1353 -6.3504 -6.3476 -3.5867 -3.5859 -3.2685 -3.2629 -2.8150 -2.8069 -2.6395 -2.6355 -2.2157 -2.2096 -2.0281 -2.0280 -1.9327 -1.9293 -1.8543 -1.8470 -1.3370 -1.3348 -1.2140 -1.2133 -0.9745 -0.9650 -0.9551 -0.9540 -0.9019 -0.8975 -0.8729 -0.8656 -0.6022 -0.5966 -0.4446 -0.4403 0.7680 0.7770 1.2405 1.2418 6.6474 6.7181 7.1895 7.4097 7.5775 7.5978 8.0283 8.0705 8.5034 8.6045 k = 0.2770 0.5427-0.0000 ( 5389 PWs) bands (ev): -20.9595 -20.9582 -20.8534 -20.8527 -20.3555 -20.3531 -20.2968 -20.2937 -20.2079 -20.2079 -20.0581 -20.0581 -7.1145 -7.1143 -6.3529 -6.3495 -3.5739 -3.5729 -3.2782 -3.2712 -2.8303 -2.8212 -2.6656 -2.6609 -2.2214 -2.2138 -2.0168 -2.0167 -1.9353 -1.9313 -1.8479 -1.8396 -1.3372 -1.3346 -1.2098 -1.2091 -0.9735 -0.9644 -0.9512 -0.9509 -0.9039 -0.8976 -0.8610 -0.8538 -0.6077 -0.6010 -0.4508 -0.4456 0.7596 0.7701 1.2169 1.2190 6.6346 6.7142 7.1962 7.4458 7.5820 7.6012 8.0226 8.0732 8.5072 8.6167 k = 0.2631 0.5427-0.0000 ( 5391 PWs) bands (ev): -20.9604 -20.9589 -20.8560 -20.8551 -20.3580 -20.3557 -20.2906 -20.2875 -20.2044 -20.2044 -20.0619 -20.0619 -7.0934 -7.0932 -6.3538 -6.3499 -3.5610 -3.5597 -3.2923 -3.2841 -2.8434 -2.8337 -2.6917 -2.6862 -2.2275 -2.2186 -2.0051 -2.0050 -1.9368 -1.9321 -1.8406 -1.8316 -1.3376 -1.3346 -1.2063 -1.2057 -0.9732 -0.9645 -0.9497 -0.9486 -0.9036 -0.8960 -0.8488 -0.8417 -0.6131 -0.6054 -0.4571 -0.4511 0.7503 0.7622 1.1933 1.1963 6.6209 6.7067 7.2048 7.4705 7.5914 7.6012 8.0199 8.0791 8.5165 8.6312 k = 0.2493 0.5427-0.0000 ( 5391 PWs) bands (ev): -20.9617 -20.9601 -20.8581 -20.8572 -20.3605 -20.3583 -20.2844 -20.2813 -20.2010 -20.2009 -20.0656 -20.0656 -7.0724 -7.0724 -6.3530 -6.3486 -3.5480 -3.5465 -3.3110 -3.3016 -2.8538 -2.8437 -2.7177 -2.7115 -2.2339 -2.2238 -1.9932 -1.9929 -1.9372 -1.9319 -1.8324 -1.8230 -1.3382 -1.3349 -1.2037 -1.2031 -0.9733 -0.9651 -0.9495 -0.9481 -0.9010 -0.8926 -0.8364 -0.8296 -0.6184 -0.6098 -0.4634 -0.4566 0.7402 0.7534 1.1701 1.1740 6.6066 6.6962 7.2148 7.4801 7.5985 7.6090 8.0201 8.0877 8.5315 8.6483 k = 0.2354 0.5427-0.0000 ( 5394 PWs) bands (ev): -20.9634 -20.9616 -20.8599 -20.8588 -20.3629 -20.3608 -20.2782 -20.2751 -20.1975 -20.1974 -20.0694 -20.0694 -7.0519 -7.0518 -6.3505 -6.3456 -3.5354 -3.5335 -3.3339 -3.3234 -2.8615 -2.8509 -2.7436 -2.7366 -2.2405 -2.2294 -1.9810 -1.9806 -1.9365 -1.9307 -1.8235 -1.8138 -1.3390 -1.3353 -1.2021 -1.2016 -0.9738 -0.9660 -0.9499 -0.9489 -0.8965 -0.8880 -0.8242 -0.8176 -0.6237 -0.6140 -0.4698 -0.4623 0.7295 0.7436 1.1475 1.1523 6.5920 6.6830 7.2253 7.4770 7.5938 7.6321 8.0231 8.0983 8.5519 8.6682 k = 0.2216 0.5427-0.0000 ( 5393 PWs) bands (ev): -20.9653 -20.9635 -20.8613 -20.8602 -20.3652 -20.3632 -20.2721 -20.2691 -20.1940 -20.1940 -20.0732 -20.0732 -7.0320 -7.0318 -6.3463 -6.3408 -3.5237 -3.5213 -3.3598 -3.3488 -2.8665 -2.8554 -2.7694 -2.7613 -2.2471 -2.2353 -1.9690 -1.9683 -1.9349 -1.9286 -1.8139 -1.8040 -1.3400 -1.3359 -1.2017 -1.2014 -0.9746 -0.9672 -0.9504 -0.9501 -0.8910 -0.8825 -0.8120 -0.8058 -0.6287 -0.6182 -0.4762 -0.4680 0.7181 0.7331 1.1257 1.1313 6.5773 6.6680 7.2356 7.4662 7.5880 7.6553 8.0290 8.1104 8.5773 8.6906 k = 0.2077 0.5427-0.0000 ( 5391 PWs) bands (ev): -20.9675 -20.9656 -20.8624 -20.8612 -20.3674 -20.3655 -20.2661 -20.2632 -20.1905 -20.1905 -20.0769 -20.0769 -7.0130 -7.0125 -6.3403 -6.3344 -3.5145 -3.5110 -3.3866 -3.3759 -2.8695 -2.8572 -2.7950 -2.7854 -2.2536 -2.2413 -1.9575 -1.9563 -1.9322 -1.9255 -1.8037 -1.7938 -1.3411 -1.3368 -1.2025 -1.2024 -0.9756 -0.9686 -0.9511 -0.9507 -0.8849 -0.8765 -0.8001 -0.7942 -0.6335 -0.6222 -0.4827 -0.4738 0.7062 0.7218 1.1049 1.1113 6.5627 6.6515 7.2451 7.4513 7.5819 7.6754 8.0380 8.1233 8.6068 8.7152 k = 0.1939 0.5427-0.0000 ( 5399 PWs) bands (ev): -20.9699 -20.9680 -20.8632 -20.8620 -20.3695 -20.3677 -20.2603 -20.2575 -20.1871 -20.1870 -20.0807 -20.0807 -6.9949 -6.9943 -6.3326 -6.3263 -3.5115 -3.5057 -3.4098 -3.4008 -2.8716 -2.8570 -2.8203 -2.8080 -2.2600 -2.2473 -1.9471 -1.9454 -1.9278 -1.9208 -1.7929 -1.7833 -1.3423 -1.3378 -1.2048 -1.2048 -0.9769 -0.9703 -0.9516 -0.9505 -0.8785 -0.8704 -0.7883 -0.7830 -0.6381 -0.6260 -0.4891 -0.4797 0.6939 0.7099 1.0853 1.0922 6.5485 6.6341 7.2531 7.4341 7.5764 7.6909 8.0499 8.1366 8.6395 8.7413 k = 0.1800 0.5427-0.0000 ( 5401 PWs) bands (ev): -20.9723 -20.9705 -20.8638 -20.8626 -20.3715 -20.3698 -20.2547 -20.2521 -20.1836 -20.1836 -20.0844 -20.0844 -6.9780 -6.9772 -6.3233 -6.3167 -3.5211 -3.5118 -3.4222 -3.4163 -2.8750 -2.8558 -2.8445 -2.8273 -2.2661 -2.2534 -1.9386 -1.9371 -1.9206 -1.9140 -1.7817 -1.7724 -1.3437 -1.3390 -1.2085 -1.2083 -0.9784 -0.9723 -0.9512 -0.9496 -0.8721 -0.8642 -0.7769 -0.7722 -0.6424 -0.6295 -0.4955 -0.4856 0.6813 0.6974 1.0669 1.0743 6.5346 6.6162 7.2593 7.4159 7.5720 7.7014 8.0643 8.1499 8.6745 8.7686 k = 0.1662 0.5427-0.0000 ( 5400 PWs) bands (ev): -20.9749 -20.9730 -20.8641 -20.8630 -20.3734 -20.3718 -20.2494 -20.2469 -20.1802 -20.1801 -20.0881 -20.0881 -6.9623 -6.9614 -6.3125 -6.3057 -3.5451 -3.5332 -3.4211 -3.4178 -2.8843 -2.8714 -2.8502 -2.8390 -2.2720 -2.2595 -1.9323 -1.9316 -1.9105 -1.9050 -1.7702 -1.7614 -1.3452 -1.3404 -1.2133 -1.2131 -0.9803 -0.9747 -0.9499 -0.9480 -0.8657 -0.8580 -0.7658 -0.7618 -0.6463 -0.6327 -0.5019 -0.4916 0.6685 0.6844 1.0500 1.0576 6.5214 6.5982 7.2635 7.3974 7.5691 7.7073 8.0807 8.1630 8.7107 8.7965 k = 0.1523 0.5427-0.0000 ( 5393 PWs) bands (ev): -20.9774 -20.9756 -20.8643 -20.8632 -20.3751 -20.3736 -20.2444 -20.2421 -20.1767 -20.1767 -20.0918 -20.0918 -6.9480 -6.9470 -6.3004 -6.2936 -3.5772 -3.5646 -3.4119 -3.4096 -2.9012 -2.8955 -2.8460 -2.8419 -2.2775 -2.2654 -1.9276 -1.9274 -1.8993 -1.8946 -1.7585 -1.7503 -1.3468 -1.3420 -1.2192 -1.2189 -0.9824 -0.9774 -0.9478 -0.9458 -0.8594 -0.8520 -0.7551 -0.7519 -0.6498 -0.6356 -0.5082 -0.4976 0.6558 0.6713 1.0345 1.0422 6.5090 6.5804 7.2656 7.3790 7.5680 7.7094 8.0982 8.1756 8.7472 8.8244 k = 0.1385 0.5427-0.0000 ( 5383 PWs) bands (ev): -20.9798 -20.9781 -20.8644 -20.8633 -20.3767 -20.3753 -20.2397 -20.2375 -20.1733 -20.1733 -20.0954 -20.0954 -6.9351 -6.9340 -6.2874 -6.2806 -3.6125 -3.5999 -3.3989 -3.3971 -2.9219 -2.9195 -2.8410 -2.8399 -2.2827 -2.2712 -1.9237 -1.9237 -1.8878 -1.8839 -1.7469 -1.7393 -1.3484 -1.3437 -1.2259 -1.2256 -0.9846 -0.9802 -0.9451 -0.9431 -0.8533 -0.8462 -0.7449 -0.7426 -0.6529 -0.6381 -0.5144 -0.5036 0.6433 0.6581 1.0206 1.0281 6.4974 6.5631 7.2659 7.3612 7.5688 7.7084 8.1162 8.1874 8.7832 8.8518 k = 0.1246 0.5427-0.0000 ( 5393 PWs) bands (ev): -20.9821 -20.9806 -20.8644 -20.8634 -20.3781 -20.3769 -20.2353 -20.2334 -20.1699 -20.1699 -20.0990 -20.0990 -6.9237 -6.9225 -6.2737 -6.2671 -3.6482 -3.6361 -3.3842 -3.3826 -2.9437 -2.9429 -2.8360 -2.8356 -2.2875 -2.2767 -1.9203 -1.9203 -1.8767 -1.8732 -1.7354 -1.7284 -1.3501 -1.3454 -1.2332 -1.2328 -0.9870 -0.9831 -0.9420 -0.9401 -0.8474 -0.8407 -0.7353 -0.7339 -0.6555 -0.6401 -0.5205 -0.5095 0.6312 0.6451 1.0082 1.0154 6.4869 6.5465 7.2647 7.3442 7.5713 7.7050 8.1340 8.1983 8.8180 8.8781 k = 0.1108 0.5427-0.0000 ( 5397 PWs) bands (ev): -20.9842 -20.9829 -20.8643 -20.8634 -20.3794 -20.3783 -20.2314 -20.2296 -20.1666 -20.1666 -20.1025 -20.1025 -6.9136 -6.9125 -6.2597 -6.2534 -3.6829 -3.6716 -3.3687 -3.3671 -2.9658 -2.9657 -2.8312 -2.8302 -2.2919 -2.2819 -1.9173 -1.9172 -1.8661 -1.8630 -1.7243 -1.7180 -1.3517 -1.3473 -1.2408 -1.2405 -0.9893 -0.9861 -0.9388 -0.9370 -0.8419 -0.8356 -0.7263 -0.7261 -0.6576 -0.6417 -0.5263 -0.5154 0.6197 0.6325 0.9974 1.0041 6.4775 6.5308 7.2624 7.3283 7.5752 7.6999 8.1511 8.2082 8.8509 8.9029 k = 0.0969 0.5427-0.0000 ( 5394 PWs) bands (ev): -20.9862 -20.9850 -20.8641 -20.8633 -20.3805 -20.3796 -20.2278 -20.2263 -20.1633 -20.1633 -20.1060 -20.1060 -6.9050 -6.9039 -6.2459 -6.2400 -3.7155 -3.7052 -3.3527 -3.3512 -2.9878 -2.9872 -2.8263 -2.8249 -2.2958 -2.2868 -1.9145 -1.9143 -1.8563 -1.8535 -1.7136 -1.7081 -1.3533 -1.3492 -1.2484 -1.2481 -0.9916 -0.9889 -0.9355 -0.9339 -0.8367 -0.8309 -0.7191 -0.7182 -0.6589 -0.6427 -0.5318 -0.5212 0.6090 0.6206 0.9880 0.9941 6.4694 6.5162 7.2595 7.3136 7.5805 7.6935 8.1672 8.2168 8.8813 8.9257 k = 0.0831 0.5427-0.0000 ( 5394 PWs) bands (ev): -20.9880 -20.9869 -20.8640 -20.8633 -20.3815 -20.3807 -20.2247 -20.2233 -20.1601 -20.1601 -20.1093 -20.1093 -6.8976 -6.8966 -6.2327 -6.2273 -3.7452 -3.7360 -3.3368 -3.3353 -3.0089 -3.0080 -2.8215 -2.8200 -2.2992 -2.2913 -1.9120 -1.9117 -1.8474 -1.8449 -1.7037 -1.6989 -1.3548 -1.3511 -1.2558 -1.2556 -0.9937 -0.9915 -0.9324 -0.9310 -0.8319 -0.8268 -0.7131 -0.7112 -0.6594 -0.6434 -0.5370 -0.5268 0.5994 0.6096 0.9801 0.9855 6.4626 6.5029 7.2565 7.3003 7.5867 7.6862 8.1820 8.2242 8.9090 8.9461 k = 0.0692 0.5427-0.0000 ( 5396 PWs) bands (ev): -20.9895 -20.9885 -20.8638 -20.8632 -20.3823 -20.3816 -20.2219 -20.2208 -20.1571 -20.1571 -20.1125 -20.1125 -6.8915 -6.8906 -6.2205 -6.2158 -3.7713 -3.7635 -3.3213 -3.3199 -3.0287 -3.0276 -2.8171 -2.8157 -2.3021 -2.2953 -1.9099 -1.9095 -1.8395 -1.8373 -1.6947 -1.6907 -1.3561 -1.3528 -1.2627 -1.2626 -0.9956 -0.9938 -0.9295 -0.9284 -0.8276 -0.8232 -0.7080 -0.7054 -0.6590 -0.6436 -0.5415 -0.5321 0.5910 0.5996 0.9736 0.9782 6.4572 6.4908 7.2536 7.2884 7.5937 7.6783 8.1952 8.2301 8.9334 8.9637 k = 0.0554 0.5427-0.0000 ( 5380 PWs) bands (ev): -20.9907 -20.9900 -20.8636 -20.8631 -20.3830 -20.3824 -20.2197 -20.2188 -20.1542 -20.1542 -20.1155 -20.1155 -6.8866 -6.8858 -6.2097 -6.2058 -3.7934 -3.7869 -3.3067 -3.3054 -3.0466 -3.0455 -2.8132 -2.8120 -2.3043 -2.2988 -1.9080 -1.9076 -1.8327 -1.8310 -1.6869 -1.6837 -1.3571 -1.3545 -1.2689 -1.2688 -0.9972 -0.9958 -0.9270 -0.9261 -0.8238 -0.8202 -0.7040 -0.7011 -0.6575 -0.6437 -0.5454 -0.5371 0.5841 0.5911 0.9684 0.9722 6.4533 6.4803 7.2513 7.2781 7.6013 7.6699 8.2068 8.2345 8.9543 8.9781 k = 0.0415 0.5427-0.0000 ( 5378 PWs) bands (ev): -20.9916 -20.9911 -20.8635 -20.8631 -20.3835 -20.3831 -20.2179 -20.2172 -20.1516 -20.1516 -20.1181 -20.1181 -6.8828 -6.8822 -6.2007 -6.1977 -3.8108 -3.8059 -3.2936 -3.2925 -3.0622 -3.0612 -2.8101 -2.8090 -2.3059 -2.3017 -1.9065 -1.9062 -1.8273 -1.8260 -1.6804 -1.6780 -1.3580 -1.3559 -1.2740 -1.2739 -0.9985 -0.9975 -0.9250 -0.9244 -0.8207 -0.8179 -0.7008 -0.6982 -0.6553 -0.6439 -0.5483 -0.5415 0.5787 0.5840 0.9645 0.9674 6.4510 6.4712 7.2499 7.2694 7.6094 7.6613 8.2166 8.2373 8.9714 8.9890 k = 0.0277 0.5427-0.0000 ( 5378 PWs) bands (ev): -20.9923 -20.9919 -20.8633 -20.8631 -20.3839 -20.3836 -20.2166 -20.2161 -20.1495 -20.1495 -20.1203 -20.1203 -6.8801 -6.8797 -6.1939 -6.1919 -3.8233 -3.8200 -3.2829 -3.2821 -3.0745 -3.0737 -2.8077 -2.8069 -2.3069 -2.3041 -1.9054 -1.9051 -1.8233 -1.8224 -1.6755 -1.6739 -1.3585 -1.3571 -1.2778 -1.2778 -0.9994 -0.9988 -0.9235 -0.9231 -0.8183 -0.8164 -0.6985 -0.6965 -0.6526 -0.6445 -0.5501 -0.5453 0.5750 0.5786 0.9619 0.9639 6.4503 6.4638 7.2496 7.2623 7.6177 7.6526 8.2246 8.2383 8.9846 8.9962 k = 0.0138 0.5427-0.0000 ( 5378 PWs) bands (ev): -20.9927 -20.9925 -20.8632 -20.8631 -20.3840 -20.3839 -20.2157 -20.2155 -20.1480 -20.1480 -20.1218 -20.1218 -6.8785 -6.8783 -6.1895 -6.1885 -3.8306 -3.8289 -3.2757 -3.2753 -3.0825 -3.0820 -2.8061 -2.8057 -2.3072 -2.3058 -1.9046 -1.9045 -1.8208 -1.8203 -1.6724 -1.6715 -1.3586 -1.3579 -1.2802 -1.2802 -0.9999 -0.9996 -0.9226 -0.9223 -0.8166 -0.8157 -0.6970 -0.6959 -0.6498 -0.6456 -0.5507 -0.5482 0.5731 0.5749 0.9606 0.9615 6.4512 6.4579 7.2506 7.2569 7.6263 7.6438 8.2308 8.2376 8.9937 8.9994 k = 0.0000 0.5427-0.0000 ( 5376 PWs) bands (ev): -20.9927 -20.9927 -20.8632 -20.8632 -20.3840 -20.3840 -20.2154 -20.2154 -20.1475 -20.1475 -20.1223 -20.1223 -6.8778 -6.8778 -6.1877 -6.1877 -3.8325 -3.8325 -3.2730 -3.2730 -3.0851 -3.0851 -2.8055 -2.8055 -2.3068 -2.3068 -1.9044 -1.9044 -1.8198 -1.8198 -1.6710 -1.6710 -1.3585 -1.3585 -1.2810 -1.2810 -1.0000 -1.0000 -0.9222 -0.9222 -0.8158 -0.8158 -0.6961 -0.6961 -0.6474 -0.6474 -0.5501 -0.5501 0.5731 0.5731 0.9605 0.9605 6.4537 6.4537 7.2530 7.2530 7.6350 7.6350 8.2351 8.2351 8.9986 8.9986 k = 0.0000 0.5427-0.0000 ( 5376 PWs) bands (ev): -20.9927 -20.9927 -20.8632 -20.8632 -20.3840 -20.3840 -20.2154 -20.2154 -20.1475 -20.1475 -20.1223 -20.1223 -6.8778 -6.8778 -6.1877 -6.1877 -3.8325 -3.8325 -3.2730 -3.2730 -3.0851 -3.0851 -2.8055 -2.8055 -2.3068 -2.3068 -1.9044 -1.9044 -1.8198 -1.8198 -1.6710 -1.6710 -1.3585 -1.3585 -1.2810 -1.2810 -1.0000 -1.0000 -0.9222 -0.9222 -0.8158 -0.8158 -0.6961 -0.6961 -0.6474 -0.6474 -0.5501 -0.5501 0.5731 0.5731 0.9605 0.9605 6.4537 6.4537 7.2530 7.2530 7.6350 7.6350 8.2351 8.2351 8.9986 8.9986 k = 0.0000 0.5427 0.0140 ( 5382 PWs) bands (ev): -20.9927 -20.9927 -20.8631 -20.8631 -20.3842 -20.3841 -20.2159 -20.2156 -20.1477 -20.1468 -20.1226 -20.1219 -6.8777 -6.8775 -6.1874 -6.1872 -3.8334 -3.8317 -3.2774 -3.2726 -3.0941 -3.0900 -2.8004 -2.7961 -2.3064 -2.3046 -1.9055 -1.9037 -1.8205 -1.8186 -1.6714 -1.6710 -1.3584 -1.3582 -1.2813 -1.2808 -1.0007 -0.9998 -0.9233 -0.9225 -0.8171 -0.8158 -0.6965 -0.6952 -0.6473 -0.6467 -0.5506 -0.5500 0.5742 0.5755 0.9602 0.9620 6.4451 6.4609 7.2154 7.2818 7.5932 7.6814 8.2125 8.2569 8.9880 9.0135 k = 0.0000 0.5427 0.0280 ( 5378 PWs) bands (ev): -20.9926 -20.9926 -20.8631 -20.8631 -20.3844 -20.3844 -20.2171 -20.2165 -20.1473 -20.1455 -20.1225 -20.1213 -6.8769 -6.8766 -6.1864 -6.1859 -3.8345 -3.8312 -3.2857 -3.2761 -3.1147 -3.1074 -2.7823 -2.7747 -2.3034 -2.2997 -1.9072 -1.9037 -1.8206 -1.8169 -1.6722 -1.6714 -1.3582 -1.3578 -1.2815 -1.2806 -1.0018 -1.0000 -0.9258 -0.9242 -0.8197 -0.8173 -0.6964 -0.6938 -0.6465 -0.6453 -0.5516 -0.5505 0.5787 0.5814 0.9611 0.9647 6.4352 6.4666 7.1721 7.2968 7.5611 7.7292 8.1893 8.2776 8.9820 9.0323 k = 0.0000 0.5427 0.0420 ( 5380 PWs) bands (ev): -20.9924 -20.9923 -20.8630 -20.8629 -20.3849 -20.3849 -20.2189 -20.2181 -20.1464 -20.1438 -20.1223 -20.1205 -6.8756 -6.8752 -6.1846 -6.1839 -3.8358 -3.8308 -3.2975 -3.2833 -3.1430 -3.1332 -2.7551 -2.7450 -2.2979 -2.2925 -1.9092 -1.9042 -1.8202 -1.8148 -1.6734 -1.6723 -1.3577 -1.3571 -1.2818 -1.2803 -1.0035 -1.0008 -0.9296 -0.9274 -0.8236 -0.8200 -0.6957 -0.6921 -0.6449 -0.6433 -0.5531 -0.5513 0.5866 0.5906 0.9633 0.9686 6.4240 6.4707 7.1250 7.2923 7.5443 7.7764 8.1663 8.2971 8.9806 9.0544 k = 0.0000 0.5427 0.0561 ( 5378 PWs) bands (ev): -20.9921 -20.9920 -20.8629 -20.8628 -20.3856 -20.3855 -20.2213 -20.2202 -20.1451 -20.1418 -20.1218 -20.1194 -6.8739 -6.8733 -6.1821 -6.1811 -3.8373 -3.8307 -3.3126 -3.2941 -3.1756 -3.1641 -2.7223 -2.7104 -2.2903 -2.2833 -1.9116 -1.9053 -1.8192 -1.8125 -1.6749 -1.6735 -1.3571 -1.3563 -1.2820 -1.2801 -1.0056 -1.0021 -0.9346 -0.9317 -0.8286 -0.8239 -0.6945 -0.6901 -0.6426 -0.6408 -0.5549 -0.5526 0.5977 0.6030 0.9666 0.9736 6.4117 6.4734 7.0753 7.2675 7.5440 7.8214 8.1442 8.3154 8.9837 9.0793 k = 0.0000 0.5427 0.0701 ( 5388 PWs) bands (ev): -20.9918 -20.9917 -20.8627 -20.8626 -20.3864 -20.3863 -20.2240 -20.2228 -20.1435 -20.1396 -20.1211 -20.1182 -6.8716 -6.8709 -6.1790 -6.1777 -3.8390 -3.8309 -3.3305 -3.3080 -3.2104 -3.1974 -2.6865 -2.6730 -2.2808 -2.2722 -1.9142 -1.9068 -1.8178 -1.8099 -1.6769 -1.6752 -1.3563 -1.3554 -1.2821 -1.2798 -1.0082 -1.0039 -0.9406 -0.9372 -0.8344 -0.8288 -0.6927 -0.6878 -0.6399 -0.6379 -0.5571 -0.5542 0.6118 0.6184 0.9708 0.9796 6.3986 6.4745 7.0238 7.2280 7.5547 7.8626 8.1244 8.3327 8.9910 9.1063 k = 0.0000 0.5427 0.0841 ( 5390 PWs) bands (ev): -20.9913 -20.9912 -20.8625 -20.8624 -20.3873 -20.3872 -20.2270 -20.2258 -20.1417 -20.1373 -20.1201 -20.1168 -6.8689 -6.8681 -6.1752 -6.1737 -3.8408 -3.8313 -3.3508 -3.3249 -3.2457 -3.2316 -2.6490 -2.6343 -2.2697 -2.2598 -1.9168 -1.9087 -1.8159 -1.8071 -1.6793 -1.6774 -1.3555 -1.3544 -1.2821 -1.2794 -1.0113 -1.0064 -0.9474 -0.9436 -0.8411 -0.8346 -0.6905 -0.6853 -0.6369 -0.6347 -0.5595 -0.5560 0.6284 0.6363 0.9760 0.9865 6.3847 6.4742 6.9714 7.1802 7.5703 7.8977 8.1093 8.3490 9.0023 9.1346 k = 0.0000 0.5427 0.0981 ( 5390 PWs) bands (ev): -20.9909 -20.9907 -20.8623 -20.8622 -20.3883 -20.3882 -20.2302 -20.2289 -20.1397 -20.1350 -20.1189 -20.1153 -6.8658 -6.8649 -6.1708 -6.1692 -3.8429 -3.8319 -3.3729 -3.3443 -3.2805 -3.2656 -2.6108 -2.5949 -2.2575 -2.2464 -1.9196 -1.9108 -1.8138 -1.8042 -1.6822 -1.6801 -1.3547 -1.3534 -1.2819 -1.2788 -1.0149 -1.0094 -0.9547 -0.9506 -0.8482 -0.8411 -0.6879 -0.6826 -0.6338 -0.6313 -0.5621 -0.5581 0.6474 0.6565 0.9819 0.9940 6.3704 6.4725 6.9186 7.1283 7.5871 7.9230 8.1022 8.3644 9.0169 9.1635 k = 0.0000 0.5427 0.1121 ( 5392 PWs) bands (ev): -20.9903 -20.9902 -20.8620 -20.8619 -20.3895 -20.3894 -20.2335 -20.2323 -20.1377 -20.1327 -20.1175 -20.1137 -6.8624 -6.8614 -6.1659 -6.1642 -3.8451 -3.8329 -3.3963 -3.3662 -3.3138 -3.2989 -2.5727 -2.5557 -2.2446 -2.2323 -1.9222 -1.9131 -1.8114 -1.8014 -1.6855 -1.6832 -1.3540 -1.3526 -1.2814 -1.2779 -1.0190 -1.0131 -0.9624 -0.9580 -0.8558 -0.8482 -0.6850 -0.6797 -0.6306 -0.6278 -0.5648 -0.5603 0.6682 0.6786 0.9884 1.0020 6.3558 6.4696 6.8659 7.0746 7.6034 7.9352 8.1069 8.3788 9.0344 9.1923 k = 0.0000 0.5427 0.1261 ( 5400 PWs) bands (ev): -20.9898 -20.9896 -20.8618 -20.8616 -20.3907 -20.3906 -20.2369 -20.2356 -20.1357 -20.1307 -20.1159 -20.1120 -6.8588 -6.8577 -6.1607 -6.1589 -3.8474 -3.8343 -3.4207 -3.3904 -3.3449 -3.3306 -2.5350 -2.5171 -2.2313 -2.2179 -1.9247 -1.9155 -1.8088 -1.7985 -1.6893 -1.6869 -1.3536 -1.3520 -1.2805 -1.2768 -1.0235 -1.0175 -0.9703 -0.9655 -0.8636 -0.8555 -0.6818 -0.6766 -0.6276 -0.6244 -0.5676 -0.5625 0.6906 0.7022 0.9952 1.0103 6.3413 6.4656 6.8140 7.0206 7.6184 7.9344 8.1230 8.3921 9.0544 9.2202 k = 0.0000 0.5427 0.1401 ( 5398 PWs) bands (ev): -20.9892 -20.9890 -20.8615 -20.8614 -20.3919 -20.3918 -20.2402 -20.2390 -20.1338 -20.1288 -20.1142 -20.1102 -6.8549 -6.8538 -6.1552 -6.1533 -3.8499 -3.8359 -3.4455 -3.4165 -3.3734 -3.3603 -2.4983 -2.4794 -2.2178 -2.2034 -1.9271 -1.9178 -1.8061 -1.7957 -1.6937 -1.6912 -1.3535 -1.3517 -1.2792 -1.2752 -1.0284 -1.0225 -0.9783 -0.9731 -0.8713 -0.8630 -0.6784 -0.6735 -0.6249 -0.6211 -0.5703 -0.5646 0.7142 0.7269 1.0022 1.0186 6.3271 6.4606 6.7633 6.9672 7.6319 7.9249 8.1465 8.4041 9.0762 9.2466 k = 0.0000 0.5427 0.1541 ( 5388 PWs) bands (ev): -20.9885 -20.9884 -20.8612 -20.8611 -20.3932 -20.3931 -20.2434 -20.2423 -20.1319 -20.1271 -20.1123 -20.1085 -6.8510 -6.8498 -6.1495 -6.1475 -3.8525 -3.8380 -3.4702 -3.4437 -3.3996 -3.3875 -2.4628 -2.4431 -2.2043 -2.1891 -1.9292 -1.9201 -1.8034 -1.7929 -1.6986 -1.6959 -1.3537 -1.3517 -1.2774 -1.2732 -1.0337 -1.0280 -0.9861 -0.9804 -0.8789 -0.8705 -0.6749 -0.6703 -0.6225 -0.6180 -0.5729 -0.5667 0.7384 0.7522 1.0091 1.0268 6.3136 6.4548 6.7144 6.9150 7.6441 7.9110 8.1731 8.4147 9.0994 9.2708 k = 0.0000 0.5427 0.1682 ( 5390 PWs) bands (ev): -20.9879 -20.9878 -20.8609 -20.8608 -20.3944 -20.3943 -20.2466 -20.2455 -20.1301 -20.1257 -20.1103 -20.1068 -6.8470 -6.8459 -6.1437 -6.1418 -3.8552 -3.8404 -3.4946 -3.4707 -3.4240 -3.4118 -2.4289 -2.4086 -2.1911 -2.1751 -1.9310 -1.9223 -1.8007 -1.7902 -1.7041 -1.7012 -1.3543 -1.3521 -1.2752 -1.2709 -1.0390 -1.0338 -0.9937 -0.9875 -0.8862 -0.8778 -0.6714 -0.6671 -0.6204 -0.6153 -0.5752 -0.5686 0.7629 0.7776 1.0159 1.0346 6.3010 6.4482 6.6680 6.8647 7.6551 7.8952 8.2004 8.4236 9.1237 9.2925 k = 0.0000 0.5427 0.1822 ( 5394 PWs) bands (ev): -20.9873 -20.9872 -20.8607 -20.8605 -20.3956 -20.3955 -20.2495 -20.2486 -20.1284 -20.1244 -20.1084 -20.1052 -6.8430 -6.8419 -6.1380 -6.1361 -3.8580 -3.8431 -3.5180 -3.4968 -3.4464 -3.4336 -2.3970 -2.3762 -2.1782 -2.1615 -1.9327 -1.9244 -1.7980 -1.7875 -1.7102 -1.7069 -1.3552 -1.3529 -1.2724 -1.2681 -1.0444 -1.0399 -1.0012 -0.9944 -0.8930 -0.8848 -0.6679 -0.6640 -0.6188 -0.6130 -0.5773 -0.5702 0.7872 0.8028 1.0222 1.0417 6.2897 6.4406 6.6249 6.8165 7.6652 7.8788 8.2271 8.4305 9.1485 9.3111 k = 0.0000 0.5427 0.1962 ( 5388 PWs) bands (ev): -20.9867 -20.9866 -20.8604 -20.8603 -20.3968 -20.3967 -20.2522 -20.2514 -20.1269 -20.1232 -20.1066 -20.1036 -6.8392 -6.8382 -6.1325 -6.1306 -3.8606 -3.8462 -3.5402 -3.5214 -3.4665 -3.4530 -2.3674 -2.3463 -2.1656 -2.1485 -1.9341 -1.9264 -1.7954 -1.7850 -1.7169 -1.7130 -1.3564 -1.3541 -1.2693 -1.2650 -1.0495 -1.0457 -1.0083 -1.0011 -0.8992 -0.8914 -0.6645 -0.6609 -0.6175 -0.6114 -0.5789 -0.5717 0.8111 0.8273 1.0280 1.0480 6.2800 6.4318 6.5862 6.7709 7.6747 7.8625 8.2526 8.4354 9.1734 9.3265 k = 0.0000 0.5427 0.2102 ( 5386 PWs) bands (ev): -20.9862 -20.9860 -20.8601 -20.8600 -20.3979 -20.3977 -20.2547 -20.2540 -20.1255 -20.1223 -20.1048 -20.1022 -6.8356 -6.8347 -6.1272 -6.1255 -3.8632 -3.8495 -3.5606 -3.5440 -3.4841 -3.4704 -2.3403 -2.3196 -2.1532 -2.1361 -1.9353 -1.9284 -1.7929 -1.7824 -1.7241 -1.7194 -1.3578 -1.3555 -1.2659 -1.2618 -1.0542 -1.0513 -1.0151 -1.0077 -0.9047 -0.8975 -0.6611 -0.6580 -0.6167 -0.6103 -0.5800 -0.5729 0.8340 0.8505 1.0331 1.0532 6.2722 6.4208 6.5534 6.7282 7.6839 7.8466 8.2766 8.4381 9.1980 9.3387 k = 0.0000 0.5427 0.2242 ( 5380 PWs) bands (ev): -20.9856 -20.9855 -20.8599 -20.8598 -20.3988 -20.3987 -20.2569 -20.2563 -20.1242 -20.1215 -20.1032 -20.1010 -6.8323 -6.8314 -6.1223 -6.1208 -3.8654 -3.8529 -3.5788 -3.5644 -3.4991 -3.4857 -2.3162 -2.2964 -2.1409 -2.1244 -1.9363 -1.9303 -1.7904 -1.7799 -1.7316 -1.7260 -1.3592 -1.3570 -1.2624 -1.2585 -1.0583 -1.0562 -1.0214 -1.0141 -0.9094 -0.9029 -0.6580 -0.6553 -0.6162 -0.6100 -0.5806 -0.5739 0.8555 0.8719 1.0375 1.0572 6.2667 6.4066 6.5282 6.6886 7.6930 7.8313 8.2990 8.4387 9.2220 9.3475 k = 0.0000 0.5427 0.2382 ( 5374 PWs) bands (ev): -20.9852 -20.9851 -20.8597 -20.8596 -20.3997 -20.3996 -20.2588 -20.2583 -20.1231 -20.1208 -20.1018 -20.0999 -6.8294 -6.8286 -6.1180 -6.1166 -3.8674 -3.8563 -3.5946 -3.5823 -3.5113 -3.4990 -2.2952 -2.2771 -2.1289 -2.1136 -1.9373 -1.9321 -1.7880 -1.7773 -1.7394 -1.7326 -1.3607 -1.3586 -1.2589 -1.2554 -1.0617 -1.0605 -1.0273 -1.0203 -0.9133 -0.9077 -0.6551 -0.6528 -0.6160 -0.6102 -0.5807 -0.5747 0.8753 0.8911 1.0412 1.0599 6.2637 6.3889 6.5116 6.6525 7.7022 7.8167 8.3198 8.4371 9.2450 9.3530 k = 0.0000 0.5427 0.2522 ( 5384 PWs) bands (ev): -20.9848 -20.9847 -20.8595 -20.8594 -20.4004 -20.4003 -20.2604 -20.2600 -20.1221 -20.1203 -20.1006 -20.0991 -6.8268 -6.8262 -6.1143 -6.1131 -3.8689 -3.8596 -3.6075 -3.5975 -3.5209 -3.5103 -2.2775 -2.2619 -2.1173 -2.1039 -1.9382 -1.9340 -1.7856 -1.7746 -1.7470 -1.7391 -1.3619 -1.3602 -1.2556 -1.2527 -1.0644 -1.0638 -1.0324 -1.0261 -0.9164 -0.9117 -0.6525 -0.6506 -0.6160 -0.6110 -0.5804 -0.5753 0.8930 0.9075 1.0443 1.0612 6.2635 6.3684 6.5033 6.6199 7.7116 7.8027 8.3390 8.4334 9.2666 9.3552 k = 0.0000 0.5427 0.2663 ( 5378 PWs) bands (ev): -20.9845 -20.9844 -20.8594 -20.8593 -20.4009 -20.4009 -20.2616 -20.2613 -20.1213 -20.1200 -20.0995 -20.0984 -6.8248 -6.8243 -6.1112 -6.1103 -3.8699 -3.8627 -3.6175 -3.6098 -3.5278 -3.5194 -2.2633 -2.2510 -2.1067 -2.0960 -1.9389 -1.9358 -1.7830 -1.7717 -1.7543 -1.7453 -1.3630 -1.3616 -1.2528 -1.2504 -1.0664 -1.0662 -1.0366 -1.0312 -0.9186 -0.9150 -0.6503 -0.6489 -0.6160 -0.6120 -0.5798 -0.5759 0.9081 0.9204 1.0471 1.0612 6.2662 6.3473 6.5018 6.5910 7.7212 7.7893 8.3566 8.4277 9.2864 9.3542 k = 0.0000 0.5427 0.2803 ( 5382 PWs) bands (ev): -20.9843 -20.9842 -20.8593 -20.8592 -20.4013 -20.4013 -20.2625 -20.2623 -20.1207 -20.1198 -20.0988 -20.0980 -6.8233 -6.8229 -6.1089 -6.1083 -3.8703 -3.8654 -3.6243 -3.6192 -3.5323 -3.5264 -2.2526 -2.2440 -2.0977 -2.0902 -1.9395 -1.9374 -1.7801 -1.7686 -1.7610 -1.7510 -1.3637 -1.3627 -1.2505 -1.2488 -1.0678 -1.0676 -1.0395 -1.0356 -0.9200 -0.9176 -0.6486 -0.6476 -0.6159 -0.6131 -0.5792 -0.5765 0.9202 0.9292 1.0497 1.0600 6.2721 6.3271 6.5058 6.5659 7.7313 7.7766 8.3725 8.4202 9.3043 9.3501 k = 0.0000 0.5427 0.2943 ( 5382 PWs) bands (ev): -20.9841 -20.9841 -20.8592 -20.8592 -20.4016 -20.4016 -20.2630 -20.2629 -20.1202 -20.1198 -20.0982 -20.0978 -6.8223 -6.8221 -6.1075 -6.1072 -3.8700 -3.8675 -3.6279 -3.6253 -3.5343 -3.5313 -2.2453 -2.2409 -2.0911 -2.0873 -1.9397 -1.9386 -1.7766 -1.7676 -1.7645 -1.7562 -1.3640 -1.3635 -1.2488 -1.2480 -1.0686 -1.0684 -1.0409 -1.0388 -0.9206 -0.9194 -0.6474 -0.6469 -0.6156 -0.6141 -0.5785 -0.5771 0.9288 0.9336 1.0524 1.0579 6.2813 6.3090 6.5145 6.5448 7.7419 7.7645 8.3869 8.4108 9.3198 9.3429 k = 0.0000 0.5427 0.3083 ( 5380 PWs) bands (ev): -20.9841 -20.9841 -20.8592 -20.8592 -20.4017 -20.4017 -20.2631 -20.2631 -20.1199 -20.1199 -20.0979 -20.0979 -6.8219 -6.8219 -6.1069 -6.1069 -3.8691 -3.8691 -3.6283 -3.6283 -3.5339 -3.5339 -2.2414 -2.2414 -2.0875 -2.0875 -1.9394 -1.9394 -1.7724 -1.7724 -1.7608 -1.7608 -1.3640 -1.3640 -1.2480 -1.2480 -1.0687 -1.0687 -1.0407 -1.0407 -0.9204 -0.9204 -0.6468 -0.6468 -0.6150 -0.6150 -0.5778 -0.5778 0.9334 0.9334 1.0552 1.0552 6.2936 6.2936 6.5276 6.5276 7.7529 7.7529 8.3997 8.3997 9.3327 9.3327 k = 0.0000 0.5427 0.3083 ( 5380 PWs) bands (ev): -20.9841 -20.9841 -20.8592 -20.8592 -20.4017 -20.4017 -20.2631 -20.2631 -20.1199 -20.1199 -20.0979 -20.0979 -6.8219 -6.8219 -6.1069 -6.1069 -3.8691 -3.8691 -3.6283 -3.6283 -3.5339 -3.5339 -2.2414 -2.2414 -2.0875 -2.0875 -1.9394 -1.9394 -1.7724 -1.7724 -1.7608 -1.7608 -1.3640 -1.3640 -1.2480 -1.2480 -1.0687 -1.0687 -1.0407 -1.0407 -0.9204 -0.9204 -0.6468 -0.6468 -0.6150 -0.6150 -0.5778 -0.5778 0.9334 0.9334 1.0552 1.0552 6.2936 6.2936 6.5276 6.5276 7.7529 7.7529 8.3997 8.3997 9.3327 9.3327 k = 0.0138 0.5427 0.3083 ( 5386 PWs) bands (ev): -20.9840 -20.9838 -20.8593 -20.8592 -20.4016 -20.4016 -20.2634 -20.2633 -20.1199 -20.1198 -20.0980 -20.0979 -6.8221 -6.8218 -6.1099 -6.1086 -3.8699 -3.8632 -3.6284 -3.6275 -3.5348 -3.5311 -2.2428 -2.2427 -2.0877 -2.0875 -1.9404 -1.9392 -1.7732 -1.7710 -1.7611 -1.7601 -1.3640 -1.3639 -1.2479 -1.2478 -1.0691 -1.0689 -1.0439 -1.0401 -0.9201 -0.9172 -0.6472 -0.6467 -0.6168 -0.6139 -0.5799 -0.5757 0.9323 0.9358 1.0548 1.0566 6.2929 6.2963 6.5264 6.5307 7.7492 7.7534 8.3887 8.4070 9.3228 9.3398 k = 0.0277 0.5427 0.3083 ( 5380 PWs) bands (ev): -20.9835 -20.9832 -20.8595 -20.8593 -20.4015 -20.4013 -20.2640 -20.2637 -20.1199 -20.1197 -20.0981 -20.0981 -6.8223 -6.8218 -6.1175 -6.1149 -3.8656 -3.8522 -3.6279 -3.6262 -3.5336 -3.5261 -2.2471 -2.2468 -2.0881 -2.0877 -1.9420 -1.9395 -1.7737 -1.7691 -1.7611 -1.7588 -1.3640 -1.3637 -1.2476 -1.2473 -1.0699 -1.0697 -1.0495 -1.0423 -0.9165 -0.9111 -0.6477 -0.6468 -0.6192 -0.6136 -0.5819 -0.5738 0.9326 0.9396 1.0554 1.0589 6.2942 6.3010 6.5270 6.5357 7.7425 7.7507 8.3741 8.4105 9.3103 9.3441 k = 0.0415 0.5427 0.3083 ( 5378 PWs) bands (ev): -20.9827 -20.9822 -20.8598 -20.8595 -20.4012 -20.4010 -20.2649 -20.2646 -20.1198 -20.1196 -20.0984 -20.0983 -6.8226 -6.8218 -6.1296 -6.1257 -3.8565 -3.8363 -3.6267 -3.6242 -3.5303 -3.5188 -2.2540 -2.2535 -2.0887 -2.0881 -1.9442 -1.9405 -1.7742 -1.7678 -1.7598 -1.7567 -1.3639 -1.3635 -1.2469 -1.2465 -1.0713 -1.0709 -1.0566 -1.0467 -0.9099 -0.9028 -0.6484 -0.6472 -0.6221 -0.6143 -0.5837 -0.5721 0.9342 0.9447 1.0569 1.0622 6.2974 6.3078 6.5294 6.5426 7.7327 7.7449 8.3558 8.4099 9.2955 9.3457 k = 0.0554 0.5427 0.3083 ( 5378 PWs) bands (ev): -20.9815 -20.9808 -20.8603 -20.8599 -20.4007 -20.4005 -20.2662 -20.2658 -20.1197 -20.1194 -20.0987 -20.0985 -6.8229 -6.8218 -6.1458 -6.1407 -3.8434 -3.8163 -3.6250 -3.6217 -3.5248 -3.5091 -2.2634 -2.2627 -2.0894 -2.0887 -1.9470 -1.9422 -1.7752 -1.7679 -1.7565 -1.7535 -1.3637 -1.3633 -1.2461 -1.2456 -1.0734 -1.0726 -1.0645 -1.0525 -0.9010 -0.8929 -0.6493 -0.6477 -0.6255 -0.6162 -0.5850 -0.5707 0.9372 0.9510 1.0594 1.0663 6.3026 6.3165 6.5337 6.5513 7.7201 7.7360 8.3339 8.4050 9.2788 9.3449 k = 0.0692 0.5427 0.3083 ( 5386 PWs) bands (ev): -20.9800 -20.9791 -20.8608 -20.8604 -20.4002 -20.3998 -20.2679 -20.2673 -20.1196 -20.1192 -20.0990 -20.0989 -6.8233 -6.8220 -6.1658 -6.1597 -3.8267 -3.7927 -3.6226 -3.6185 -3.5165 -3.4964 -2.2750 -2.2741 -2.0903 -2.0894 -1.9503 -1.9446 -1.7767 -1.7691 -1.7517 -1.7494 -1.3635 -1.3630 -1.2452 -1.2447 -1.0761 -1.0759 -1.0717 -1.0590 -0.8906 -0.8820 -0.6504 -0.6486 -0.6291 -0.6191 -0.5859 -0.5695 0.9415 0.9586 1.0628 1.0713 6.3097 6.3271 6.5398 6.5618 7.7048 7.7241 8.3083 8.3955 9.2608 9.3421 k = 0.0831 0.5427 0.3083 ( 5392 PWs) bands (ev): -20.9781 -20.9771 -20.8615 -20.8610 -20.3995 -20.3991 -20.2699 -20.2692 -20.1194 -20.1189 -20.0995 -20.0993 -6.8237 -6.8221 -6.1892 -6.1822 -3.8075 -3.7666 -3.6195 -3.6148 -3.5051 -3.4805 -2.2886 -2.2876 -2.0913 -2.0903 -1.9542 -1.9475 -1.7788 -1.7710 -1.7463 -1.7446 -1.3634 -1.3627 -1.2442 -1.2438 -1.0828 -1.0797 -1.0754 -1.0652 -0.8791 -0.8704 -0.6518 -0.6498 -0.6329 -0.6229 -0.5865 -0.5686 0.9470 0.9674 1.0670 1.0772 6.3187 6.3397 6.5475 6.5742 7.6869 7.7093 8.2790 8.3809 9.2424 9.3376 k = 0.0969 0.5427 0.3083 ( 5392 PWs) bands (ev): -20.9759 -20.9747 -20.8623 -20.8617 -20.3987 -20.3982 -20.2723 -20.2715 -20.1192 -20.1186 -20.1000 -20.0998 -6.8241 -6.8222 -6.2156 -6.2078 -3.7867 -3.7392 -3.6158 -3.6105 -3.4899 -3.4610 -2.3040 -2.3027 -2.0924 -2.0912 -1.9586 -1.9510 -1.7812 -1.7732 -1.7405 -1.7394 -1.3632 -1.3624 -1.2434 -1.2431 -1.0907 -1.0843 -1.0780 -1.0705 -0.8669 -0.8584 -0.6534 -0.6515 -0.6367 -0.6275 -0.5867 -0.5679 0.9537 0.9773 1.0721 1.0839 6.3294 6.3542 6.5570 6.5882 7.6667 7.6918 8.2459 8.3609 9.2242 9.3320 k = 0.1108 0.5427 0.3083 ( 5394 PWs) bands (ev): -20.9734 -20.9721 -20.8632 -20.8625 -20.3977 -20.3972 -20.2750 -20.2741 -20.1189 -20.1182 -20.1005 -20.1003 -6.8245 -6.8224 -6.2445 -6.2361 -3.7650 -3.7119 -3.6115 -3.6057 -3.4700 -3.4373 -2.3209 -2.3194 -2.0936 -2.0923 -1.9635 -1.9552 -1.7839 -1.7758 -1.7347 -1.7341 -1.3631 -1.3622 -1.2428 -1.2428 -1.0982 -1.0898 -1.0804 -1.0748 -0.8543 -0.8463 -0.6553 -0.6541 -0.6400 -0.6326 -0.5868 -0.5675 0.9617 0.9882 1.0780 1.0912 6.3418 6.3705 6.5681 6.6040 7.6444 7.6717 8.2089 8.3351 9.2071 9.3256 k = 0.1246 0.5427 0.3083 ( 5394 PWs) bands (ev): -20.9706 -20.9691 -20.8642 -20.8634 -20.3967 -20.3960 -20.2781 -20.2771 -20.1186 -20.1178 -20.1010 -20.1009 -6.8249 -6.8225 -6.2755 -6.2665 -3.7435 -3.6860 -3.6065 -3.6003 -3.4447 -3.4094 -2.3390 -2.3374 -2.0948 -2.0933 -1.9689 -1.9599 -1.7868 -1.7785 -1.7292 -1.7289 -1.3631 -1.3620 -1.2430 -1.2427 -1.1050 -1.0955 -1.0827 -1.0781 -0.8415 -0.8342 -0.6578 -0.6576 -0.6426 -0.6379 -0.5868 -0.5672 0.9707 1.0002 1.0846 1.0993 6.3558 6.3885 6.5808 6.6214 7.6203 7.6493 8.1683 8.3034 9.1919 9.3191 k = 0.1385 0.5427 0.3083 ( 5390 PWs) bands (ev): -20.9675 -20.9658 -20.8653 -20.8644 -20.3955 -20.3948 -20.2815 -20.2804 -20.1183 -20.1173 -20.1015 -20.1014 -6.8253 -6.8227 -6.3082 -6.2988 -3.7227 -3.6625 -3.6008 -3.5944 -3.4136 -3.3772 -2.3583 -2.3563 -2.0959 -2.0944 -1.9748 -1.9652 -1.7898 -1.7813 -1.7242 -1.7242 -1.3633 -1.3620 -1.2439 -1.2431 -1.1109 -1.1010 -1.0848 -1.0807 -0.8287 -0.8223 -0.6625 -0.6605 -0.6443 -0.6431 -0.5867 -0.5671 0.9807 1.0130 1.0919 1.1079 6.3713 6.4082 6.5950 6.6403 7.5945 7.6249 8.1241 8.2657 9.1790 9.3127 k = 0.1523 0.5427 0.3083 ( 5388 PWs) bands (ev): -20.9640 -20.9623 -20.8666 -20.8656 -20.3942 -20.3934 -20.2853 -20.2840 -20.1179 -20.1168 -20.1020 -20.1019 -6.8256 -6.8227 -6.3421 -6.3324 -3.7031 -3.6417 -3.5945 -3.5879 -3.3770 -3.3408 -2.3784 -2.3762 -2.0971 -2.0955 -1.9811 -1.9709 -1.7927 -1.7842 -1.7200 -1.7197 -1.3637 -1.3622 -1.2458 -1.2444 -1.1158 -1.1059 -1.0865 -1.0827 -0.8162 -0.8108 -0.6680 -0.6642 -0.6476 -0.6453 -0.5867 -0.5672 0.9917 1.0266 1.0999 1.1171 6.3882 6.4295 6.6106 6.6607 7.5676 7.5985 8.0764 8.2221 9.1690 9.3070 k = 0.1662 0.5427 0.3083 ( 5388 PWs) bands (ev): -20.9604 -20.9585 -20.8679 -20.8669 -20.3927 -20.3919 -20.2893 -20.2880 -20.1175 -20.1162 -20.1025 -20.1024 -6.8258 -6.8227 -6.3769 -6.3669 -3.6847 -3.6236 -3.5875 -3.5809 -3.3355 -3.3007 -2.3992 -2.3967 -2.0981 -2.0965 -1.9879 -1.9773 -1.7956 -1.7870 -1.7165 -1.7160 -1.3643 -1.3627 -1.2487 -1.2467 -1.1194 -1.1099 -1.0877 -1.0841 -0.8040 -0.7998 -0.6740 -0.6691 -0.6510 -0.6457 -0.5867 -0.5674 1.0035 1.0409 1.1083 1.1267 6.4062 6.4522 6.6275 6.6824 7.5396 7.5707 8.0256 8.1729 9.1620 9.3021 k = 0.1800 0.5427 0.3083 ( 5398 PWs) bands (ev): -20.9565 -20.9545 -20.8694 -20.8683 -20.3912 -20.3903 -20.2937 -20.2923 -20.1170 -20.1157 -20.1030 -20.1028 -6.8260 -6.8226 -6.4121 -6.4021 -3.6675 -3.6078 -3.5798 -3.5733 -3.2902 -3.2575 -2.4207 -2.4178 -2.0991 -2.0975 -1.9951 -1.9841 -1.7981 -1.7896 -1.7137 -1.7131 -1.3653 -1.3634 -1.2527 -1.2501 -1.1219 -1.1129 -1.0885 -1.0848 -0.7924 -0.7896 -0.6804 -0.6750 -0.6534 -0.6455 -0.5868 -0.5677 1.0161 1.0559 1.1172 1.1366 6.4253 6.4764 6.6457 6.7054 7.5110 7.5415 7.9719 8.1188 9.1581 9.2984 k = 0.1939 0.5427 0.3083 ( 5402 PWs) bands (ev): -20.9524 -20.9503 -20.8710 -20.8698 -20.3895 -20.3886 -20.2983 -20.2969 -20.1166 -20.1150 -20.1035 -20.1032 -6.8260 -6.8224 -6.4476 -6.4375 -3.6514 -3.5937 -3.5714 -3.5653 -3.2421 -3.2119 -2.4425 -2.4393 -2.1001 -2.0985 -2.0027 -1.9913 -1.8003 -1.7918 -1.7118 -1.7111 -1.3666 -1.3644 -1.2581 -1.2546 -1.1232 -1.1148 -1.0886 -1.0848 -0.7815 -0.7803 -0.6870 -0.6815 -0.6548 -0.6447 -0.5869 -0.5681 1.0294 1.0713 1.1265 1.1468 6.4453 6.5018 6.6650 6.7293 7.4821 7.5114 7.9159 8.0604 9.1572 9.2959 k = 0.2077 0.5427 0.3083 ( 5404 PWs) bands (ev): -20.9481 -20.9459 -20.8727 -20.8714 -20.3878 -20.3868 -20.3032 -20.3017 -20.1161 -20.1143 -20.1039 -20.1035 -6.8259 -6.8221 -6.4830 -6.4730 -3.6362 -3.5808 -3.5622 -3.5567 -3.1922 -3.1646 -2.4647 -2.4611 -2.1010 -2.0994 -2.0107 -1.9990 -1.8019 -1.7936 -1.7107 -1.7101 -1.3683 -1.3658 -1.2646 -1.2605 -1.1232 -1.1157 -1.0882 -1.0841 -0.7720 -0.7717 -0.6938 -0.6884 -0.6552 -0.6430 -0.5871 -0.5686 1.0432 1.0872 1.1361 1.1571 6.4658 6.5283 6.6853 6.7541 7.4532 7.4806 7.8579 7.9984 9.1591 9.2946 k = 0.2216 0.5427 0.3083 ( 5396 PWs) bands (ev): -20.9436 -20.9414 -20.8745 -20.8732 -20.3859 -20.3848 -20.3083 -20.3068 -20.1155 -20.1136 -20.1042 -20.1037 -6.8256 -6.8216 -6.5180 -6.5081 -3.6217 -3.5688 -3.5524 -3.5476 -3.1413 -3.1163 -2.4871 -2.4831 -2.1018 -2.1003 -2.0191 -2.0070 -1.8030 -1.7948 -1.7105 -1.7099 -1.3702 -1.3675 -1.2724 -1.2675 -1.1220 -1.1154 -1.0873 -1.0828 -0.7651 -0.7631 -0.7006 -0.6954 -0.6545 -0.6404 -0.5873 -0.5691 1.0575 1.1033 1.1459 1.1675 6.4867 6.5558 6.7065 6.7795 7.4248 7.4496 7.7984 7.9337 9.1635 9.2946 k = 0.2354 0.5427 0.3083 ( 5388 PWs) bands (ev): -20.9390 -20.9367 -20.8764 -20.8751 -20.3840 -20.3828 -20.3136 -20.3120 -20.1150 -20.1128 -20.1045 -20.1038 -6.8251 -6.8209 -6.5524 -6.5427 -3.6077 -3.5573 -3.5420 -3.5380 -3.0904 -3.0677 -2.5096 -2.5052 -2.1026 -2.1011 -2.0277 -2.0154 -1.8032 -1.7953 -1.7111 -1.7107 -1.3724 -1.3694 -1.2813 -1.2757 -1.1198 -1.1140 -1.0860 -1.0810 -0.7596 -0.7562 -0.7075 -0.7024 -0.6526 -0.6369 -0.5875 -0.5696 1.0721 1.1196 1.1558 1.1778 6.5077 6.5841 6.7284 6.8050 7.3972 7.4188 7.7381 7.8671 9.1702 9.2957 k = 0.2493 0.5427 0.3083 ( 5386 PWs) bands (ev): -20.9343 -20.9320 -20.8785 -20.8770 -20.3819 -20.3807 -20.3191 -20.3175 -20.1144 -20.1120 -20.1048 -20.1039 -6.8244 -6.8199 -6.5860 -6.5766 -3.5941 -3.5460 -3.5311 -3.5279 -3.0400 -3.0193 -2.5321 -2.5272 -2.1034 -2.1021 -2.0366 -2.0240 -1.8026 -1.7949 -1.7127 -1.7125 -1.3748 -1.3716 -1.2912 -1.2850 -1.1166 -1.1118 -1.0843 -1.0787 -0.7555 -0.7511 -0.7142 -0.7094 -0.6493 -0.6323 -0.5878 -0.5702 1.0868 1.1360 1.1658 1.1879 6.5285 6.6130 6.7509 6.8304 7.3708 7.3886 7.6774 7.7995 9.1789 9.2978 k = 0.2631 0.5427 0.3083 ( 5382 PWs) bands (ev): -20.9296 -20.9273 -20.8806 -20.8791 -20.3798 -20.3785 -20.3246 -20.3230 -20.1138 -20.1112 -20.1050 -20.1038 -6.8235 -6.8188 -6.6186 -6.6095 -3.5808 -3.5347 -3.5198 -3.5173 -2.9908 -2.9718 -2.5547 -2.5493 -2.1043 -2.1031 -2.0457 -2.0329 -1.8010 -1.7935 -1.7151 -1.7150 -1.3773 -1.3739 -1.3021 -1.2951 -1.1126 -1.1086 -1.0825 -1.0761 -0.7530 -0.7478 -0.7209 -0.7162 -0.6447 -0.6268 -0.5881 -0.5707 1.1016 1.1522 1.1757 1.1978 6.5486 6.6421 6.7738 6.8548 7.3462 7.3598 7.6171 7.7319 9.1893 9.3008 k = 0.2770 0.5427 0.3083 ( 5378 PWs) bands (ev): -20.9249 -20.9225 -20.8829 -20.8813 -20.3776 -20.3762 -20.3302 -20.3286 -20.1132 -20.1103 -20.1051 -20.1037 -6.8223 -6.8173 -6.6501 -6.6413 -3.5676 -3.5232 -3.5082 -3.5063 -2.9431 -2.9256 -2.5771 -2.5712 -2.1052 -2.1044 -2.0550 -2.0418 -1.7983 -1.7911 -1.7185 -1.7180 -1.3799 -1.3764 -1.3137 -1.3061 -1.1078 -1.1048 -1.0805 -1.0732 -0.7519 -0.7465 -0.7273 -0.7226 -0.6388 -0.6204 -0.5883 -0.5713 1.1162 1.1682 1.1855 1.2073 6.5678 6.6713 6.7967 6.8776 7.3238 7.3333 7.5578 7.6651 9.2010 9.3042 k = 0.2908 0.5427 0.3083 ( 5372 PWs) bands (ev): -20.9202 -20.9179 -20.8853 -20.8837 -20.3753 -20.3738 -20.3357 -20.3343 -20.1126 -20.1094 -20.1051 -20.1034 -6.8207 -6.8156 -6.6802 -6.6719 -3.5545 -3.5114 -3.4963 -3.4948 -2.8977 -2.8813 -2.5993 -2.5929 -2.1063 -2.1059 -2.0644 -2.0508 -1.7945 -1.7875 -1.7228 -1.7217 -1.3825 -1.3791 -1.3259 -1.3176 -1.1024 -1.1004 -1.0785 -1.0702 -0.7522 -0.7469 -0.7335 -0.7287 -0.6319 -0.6134 -0.5886 -0.5718 1.1304 1.1838 1.1952 1.2163 6.5855 6.7000 6.8193 6.8975 7.3041 7.3100 7.5002 7.6003 9.2139 9.3078 k = 0.3047 0.5427 0.3083 ( 5372 PWs) bands (ev): -20.9156 -20.9133 -20.8878 -20.8861 -20.3730 -20.3714 -20.3412 -20.3399 -20.1120 -20.1084 -20.1051 -20.1031 -6.8189 -6.8136 -6.7090 -6.7011 -3.5414 -3.4993 -3.4841 -3.4829 -2.8547 -2.8391 -2.6212 -2.6144 -2.1078 -2.1076 -2.0739 -2.0597 -1.7898 -1.7827 -1.7278 -1.7259 -1.3849 -1.3818 -1.3387 -1.3294 -1.0966 -1.0956 -1.0765 -1.0670 -0.7536 -0.7489 -0.7392 -0.7343 -0.6243 -0.6059 -0.5888 -0.5722 1.1440 1.1988 1.2047 1.2247 6.6013 6.7276 6.8412 6.9132 7.2876 7.2915 7.4453 7.5385 9.2278 9.3110 k = 0.3185 0.5427 0.3083 ( 5368 PWs) bands (ev): -20.9111 -20.9088 -20.8903 -20.8886 -20.3706 -20.3688 -20.3465 -20.3454 -20.1114 -20.1074 -20.1050 -20.1027 -6.8168 -6.8112 -6.7362 -6.7287 -3.5283 -3.4869 -3.4717 -3.4705 -2.8147 -2.7994 -2.6427 -2.6356 -2.1102 -2.1092 -2.0833 -2.0683 -1.7841 -1.7769 -1.7334 -1.7305 -1.3873 -1.3848 -1.3517 -1.3413 -1.0906 -1.0904 -1.0746 -1.0638 -0.7562 -0.7520 -0.7446 -0.7396 -0.6163 -0.5982 -0.5888 -0.5726 1.1568 1.2131 1.2140 1.2324 6.6149 6.7534 6.8616 6.9232 7.2748 7.2790 7.3942 7.4813 9.2422 9.3135 k = 0.3324 0.5427 0.3083 ( 5362 PWs) bands (ev): -20.9068 -20.9046 -20.8930 -20.8913 -20.3683 -20.3662 -20.3515 -20.3508 -20.1107 -20.1064 -20.1048 -20.1021 -6.8143 -6.8084 -6.7617 -6.7548 -3.5152 -3.4741 -3.4590 -3.4578 -2.7782 -2.7624 -2.6634 -2.6564 -2.1133 -2.1111 -2.0927 -2.0765 -1.7781 -1.7700 -1.7397 -1.7350 -1.3894 -1.3882 -1.3649 -1.3529 -1.0855 -1.0839 -1.0729 -1.0604 -0.7597 -0.7560 -0.7495 -0.7445 -0.6082 -0.5904 -0.5887 -0.5728 1.1686 1.2231 1.2265 1.2393 6.6259 6.7757 6.8796 6.9269 7.2656 7.2736 7.3484 7.4303 9.2571 9.3145 k = 0.3462 0.5427 0.3083 ( 5360 PWs) bands (ev): -20.9028 -20.9007 -20.8957 -20.8940 -20.3664 -20.3636 -20.3560 -20.3558 -20.1101 -20.1054 -20.1046 -20.1015 -6.8116 -6.8053 -6.7853 -6.7791 -3.5021 -3.4610 -3.4461 -3.4448 -2.7467 -2.7285 -2.6820 -2.6769 -2.1172 -2.1137 -2.1015 -2.0839 -1.7728 -1.7623 -1.7464 -1.7385 -1.3926 -1.3916 -1.3780 -1.3633 -1.0806 -1.0773 -1.0713 -1.0569 -0.7638 -0.7605 -0.7541 -0.7493 -0.6006 -0.5880 -0.5828 -0.5726 1.1790 1.2319 1.2386 1.2454 6.6341 6.7923 6.8941 6.9253 7.2592 7.2740 7.3106 7.3883 9.2720 9.3098 k = 0.3601 0.5427 0.3083 ( 5360 PWs) bands (ev): -20.8998 -20.8977 -20.8976 -20.8962 -20.3659 -20.3611 -20.3607 -20.3584 -20.1094 -20.1044 -20.1043 -20.1009 -6.8112 -6.8043 -6.8029 -6.8006 -3.4888 -3.4476 -3.4330 -3.4314 -2.7283 -2.7005 -2.6939 -2.6904 -2.1223 -2.1180 -2.1088 -2.0904 -1.7699 -1.7554 -1.7522 -1.7394 -1.3988 -1.3953 -1.3890 -1.3717 -1.0761 -1.0713 -1.0693 -1.0531 -0.7683 -0.7651 -0.7587 -0.7541 -0.5948 -0.5855 -0.5769 -0.5709 1.1878 1.2405 1.2483 1.2518 6.6395 6.7995 6.9034 6.9218 7.2510 7.2755 7.2875 7.3610 9.2843 9.2957 k = 0.3601 0.5427 0.3083 ( 5360 PWs) bands (ev): -20.8998 -20.8977 -20.8976 -20.8962 -20.3659 -20.3611 -20.3607 -20.3584 -20.1094 -20.1044 -20.1043 -20.1009 -6.8112 -6.8043 -6.8029 -6.8006 -3.4888 -3.4476 -3.4330 -3.4314 -2.7283 -2.7005 -2.6939 -2.6904 -2.1223 -2.1180 -2.1088 -2.0904 -1.7699 -1.7554 -1.7522 -1.7394 -1.3988 -1.3953 -1.3890 -1.3717 -1.0761 -1.0713 -1.0693 -1.0531 -0.7683 -0.7651 -0.7587 -0.7541 -0.5948 -0.5855 -0.5769 -0.5709 1.1878 1.2405 1.2483 1.2518 6.6395 6.7995 6.9034 6.9218 7.2510 7.2755 7.2875 7.3610 9.2843 9.2957 k = 0.3522 0.5309 0.3083 ( 5352 PWs) bands (ev): -20.9006 -20.8984 -20.8983 -20.8968 -20.3641 -20.3589 -20.3589 -20.3566 -20.1106 -20.1057 -20.1054 -20.1022 -6.7945 -6.7880 -6.7859 -6.7838 -3.5127 -3.4720 -3.4569 -3.4559 -2.7372 -2.7103 -2.7035 -2.6990 -2.1118 -2.1074 -2.0977 -2.0793 -1.7717 -1.7558 -1.7544 -1.7417 -1.3853 -1.3824 -1.3751 -1.3587 -1.0836 -1.0788 -1.0760 -1.0602 -0.7598 -0.7564 -0.7502 -0.7450 -0.6028 -0.5932 -0.5844 -0.5779 1.1727 1.2246 1.2350 1.2371 6.6318 6.7969 6.8895 6.9244 7.2760 7.2804 7.3116 7.3942 9.2758 9.3072 k = 0.3444 0.5191 0.3083 ( 5364 PWs) bands (ev): -20.9016 -20.8994 -20.8992 -20.8977 -20.3620 -20.3570 -20.3566 -20.3547 -20.1118 -20.1072 -20.1064 -20.1034 -6.7771 -6.7711 -6.7683 -6.7665 -3.5353 -3.4952 -3.4797 -3.4792 -2.7478 -2.7218 -2.7149 -2.7093 -2.1013 -2.0966 -2.0865 -2.0683 -1.7738 -1.7570 -1.7566 -1.7443 -1.3721 -1.3697 -1.3614 -1.3462 -1.0905 -1.0856 -1.0821 -1.0667 -0.7514 -0.7476 -0.7419 -0.7360 -0.6111 -0.6011 -0.5922 -0.5852 1.1572 1.2080 1.2208 1.2217 6.6240 6.7935 6.8720 6.9218 7.2918 7.3064 7.3373 7.4298 9.2679 9.3193 k = 0.3366 0.5073 0.3083 ( 5376 PWs) bands (ev): -20.9028 -20.9006 -20.9003 -20.8987 -20.3597 -20.3549 -20.3542 -20.3526 -20.1128 -20.1086 -20.1074 -20.1047 -6.7591 -6.7536 -6.7502 -6.7486 -3.5565 -3.5169 -3.5013 -3.5013 -2.7599 -2.7348 -2.7279 -2.7212 -2.0907 -2.0859 -2.0752 -2.0574 -1.7760 -1.7597 -1.7574 -1.7470 -1.3595 -1.3577 -1.3485 -1.3345 -1.0965 -1.0916 -1.0874 -1.0724 -0.7429 -0.7388 -0.7337 -0.7273 -0.6196 -0.6090 -0.6002 -0.5926 1.1411 1.1907 1.2055 1.2059 6.6162 6.7896 6.8524 6.9146 7.3091 7.3405 7.3643 7.4674 9.2606 9.3319 k = 0.3288 0.4955 0.3083 ( 5372 PWs) bands (ev): -20.9042 -20.9020 -20.9017 -20.9001 -20.3572 -20.3525 -20.3515 -20.3504 -20.1138 -20.1099 -20.1083 -20.1058 -6.7406 -6.7357 -6.7316 -6.7301 -3.5762 -3.5371 -3.5220 -3.5216 -2.7735 -2.7492 -2.7424 -2.7346 -2.0804 -2.0753 -2.0639 -2.0469 -1.7779 -1.7624 -1.7580 -1.7493 -1.3481 -1.3468 -1.3367 -1.3241 -1.1012 -1.0965 -1.0917 -1.0771 -0.7348 -0.7301 -0.7259 -0.7190 -0.6283 -0.6167 -0.6082 -0.6000 1.1244 1.1726 1.1887 1.1902 6.6088 6.7856 6.8317 6.9037 7.3314 7.3774 7.3923 7.5066 9.2542 9.3414 k = 0.3209 0.4837 0.3083 ( 5372 PWs) bands (ev): -20.9059 -20.9037 -20.9033 -20.9016 -20.3546 -20.3500 -20.3486 -20.3479 -20.1147 -20.1111 -20.1091 -20.1069 -6.7217 -6.7173 -6.7126 -6.7112 -3.5944 -3.5557 -3.5414 -3.5405 -2.7886 -2.7651 -2.7583 -2.7495 -2.0703 -2.0650 -2.0529 -2.0369 -1.7794 -1.7648 -1.7583 -1.7513 -1.3382 -1.3373 -1.3265 -1.3156 -1.1044 -1.1001 -1.0947 -1.0806 -0.7271 -0.7219 -0.7189 -0.7118 -0.6368 -0.6238 -0.6160 -0.6071 1.1073 1.1538 1.1712 1.1738 6.6020 6.7817 6.8107 6.8903 7.3577 7.4163 7.4209 7.5470 9.2486 9.3501 k = 0.3131 0.4719 0.3083 ( 5368 PWs) bands (ev): -20.9078 -20.9056 -20.9051 -20.9035 -20.3517 -20.3473 -20.3455 -20.3453 -20.1154 -20.1123 -20.1098 -20.1079 -6.7023 -6.6986 -6.6932 -6.6919 -3.6110 -3.5726 -3.5593 -3.5581 -2.8049 -2.7822 -2.7755 -2.7656 -2.0608 -2.0551 -2.0422 -2.0276 -1.7802 -1.7668 -1.7581 -1.7527 -1.3300 -1.3295 -1.3182 -1.3092 -1.1058 -1.1022 -1.0963 -1.0828 -0.7204 -0.7146 -0.7129 -0.7062 -0.6447 -0.6296 -0.6233 -0.6135 1.0897 1.1342 1.1530 1.1567 6.5960 6.7781 6.7899 6.8753 7.3870 7.4501 7.4567 7.5883 9.2442 9.3595 k = 0.3053 0.4601 0.3083 ( 5376 PWs) bands (ev): -20.9100 -20.9079 -20.9073 -20.9056 -20.3486 -20.3444 -20.3425 -20.3422 -20.1161 -20.1133 -20.1104 -20.1088 -6.6825 -6.6795 -6.6735 -6.6723 -3.6260 -3.5879 -3.5759 -3.5742 -2.8224 -2.8005 -2.7937 -2.7829 -2.0518 -2.0459 -2.0320 -2.0191 -1.7802 -1.7682 -1.7573 -1.7533 -1.3239 -1.3236 -1.3120 -1.3052 -1.1053 -1.1028 -1.0964 -1.0835 -0.7151 -0.7091 -0.7086 -0.7033 -0.6511 -0.6331 -0.6295 -0.6186 1.0715 1.1140 1.1341 1.1388 6.5910 6.7696 6.7752 6.8594 7.4186 7.4795 7.4980 7.6302 9.2409 9.3696 k = 0.2974 0.4483 0.3083 ( 5388 PWs) bands (ev): -20.9124 -20.9104 -20.9097 -20.9080 -20.3453 -20.3412 -20.3395 -20.3388 -20.1166 -20.1143 -20.1109 -20.1096 -6.6624 -6.6602 -6.6535 -6.6523 -3.6393 -3.6015 -3.5909 -3.5889 -2.8409 -2.8198 -2.8129 -2.8012 -2.0435 -2.0374 -2.0226 -2.0117 -1.7792 -1.7688 -1.7556 -1.7531 -1.3198 -1.3197 -1.3080 -1.3037 -1.1030 -1.1017 -1.0950 -1.0827 -0.7119 -0.7067 -0.7066 -0.7038 -0.6548 -0.6340 -0.6336 -0.6220 1.0529 1.0931 1.1145 1.1202 6.5872 6.7503 6.7730 6.8433 7.4519 7.5090 7.5400 7.6723 9.2388 9.3804 k = 0.2896 0.4365 0.3083 ( 5392 PWs) bands (ev): -20.9152 -20.9131 -20.9124 -20.9107 -20.3418 -20.3379 -20.3364 -20.3352 -20.1170 -20.1151 -20.1112 -20.1102 -6.6421 -6.6406 -6.6333 -6.6321 -3.6508 -3.6134 -3.6045 -3.6021 -2.8604 -2.8401 -2.8329 -2.8203 -2.0361 -2.0297 -2.0139 -2.0055 -1.7770 -1.7685 -1.7532 -1.7519 -1.3181 -1.3176 -1.3061 -1.3045 -1.0991 -1.0991 -1.0922 -1.0807 -0.7115 -0.7085 -0.7076 -0.7074 -0.6546 -0.6360 -0.6311 -0.6230 1.0339 1.0716 1.0942 1.1010 6.5847 6.7320 6.7718 6.8273 7.4865 7.5385 7.5823 7.7146 9.2380 9.3920 k = 0.2818 0.4247 0.3083 ( 5396 PWs) bands (ev): -20.9182 -20.9162 -20.9153 -20.9137 -20.3381 -20.3345 -20.3331 -20.3314 -20.1172 -20.1158 -20.1115 -20.1108 -6.6215 -6.6209 -6.6129 -6.6117 -3.6606 -3.6235 -3.6165 -3.6138 -2.8806 -2.8611 -2.8534 -2.8400 -2.0297 -2.0230 -2.0062 -2.0006 -1.7736 -1.7672 -1.7499 -1.7498 -1.3181 -1.3173 -1.3073 -1.3061 -1.0953 -1.0939 -1.0883 -1.0775 -0.7142 -0.7142 -0.7142 -0.7108 -0.6510 -0.6354 -0.6263 -0.6217 1.0144 1.0494 1.0733 1.0810 6.5837 6.7149 6.7717 6.8120 7.5221 7.5678 7.6249 7.7566 9.2386 9.4044 k = 0.2740 0.4129 0.3083 ( 5396 PWs) bands (ev): -20.9214 -20.9195 -20.9186 -20.9169 -20.3342 -20.3308 -20.3296 -20.3274 -20.1173 -20.1163 -20.1116 -20.1112 -6.6011 -6.6009 -6.5925 -6.5912 -3.6687 -3.6319 -3.6271 -3.6240 -2.9014 -2.8828 -2.8743 -2.8602 -2.0243 -2.0174 -1.9996 -1.9970 -1.7690 -1.7649 -1.7468 -1.7455 -1.3197 -1.3187 -1.3117 -1.3078 -1.0906 -1.0879 -1.0836 -1.0736 -0.7225 -0.7222 -0.7194 -0.7166 -0.6452 -0.6325 -0.6201 -0.6185 0.9944 1.0266 1.0517 1.0605 6.5843 6.6993 6.7727 6.7974 7.5584 7.5969 7.6676 7.7983 9.2407 9.4175 k = 0.2661 0.4011 0.3083 ( 5388 PWs) bands (ev): -20.9249 -20.9231 -20.9221 -20.9204 -20.3301 -20.3270 -20.3259 -20.3233 -20.1172 -20.1167 -20.1116 -20.1115 -6.5812 -6.5801 -6.5720 -6.5706 -3.6749 -3.6386 -3.6362 -3.6328 -2.9227 -2.9050 -2.8955 -2.8807 -2.0200 -2.0129 -1.9947 -1.9942 -1.7633 -1.7614 -1.7429 -1.7403 -1.3225 -1.3213 -1.3173 -1.3108 -1.0854 -1.0816 -1.0785 -1.0693 -0.7318 -0.7315 -0.7265 -0.7240 -0.6384 -0.6280 -0.6141 -0.6132 0.9741 1.0033 1.0296 1.0393 6.5865 6.6851 6.7750 6.7839 7.5952 7.6256 7.7101 7.8394 9.2442 9.4314 k = 0.2583 0.3893 0.3083 ( 5398 PWs) bands (ev): -20.9286 -20.9269 -20.9258 -20.9242 -20.3260 -20.3231 -20.3222 -20.3191 -20.1170 -20.1169 -20.1117 -20.1114 -6.5613 -6.5593 -6.5515 -6.5500 -3.6795 -3.6440 -3.6436 -3.6401 -2.9443 -2.9275 -2.9166 -2.9013 -2.0168 -2.0096 -1.9938 -1.9900 -1.7569 -1.7566 -1.7380 -1.7342 -1.3263 -1.3250 -1.3239 -1.3147 -1.0800 -1.0752 -1.0734 -1.0648 -0.7417 -0.7413 -0.7348 -0.7325 -0.6314 -0.6228 -0.6089 -0.6061 0.9533 0.9795 1.0068 1.0175 6.5904 6.6725 6.7715 6.7787 7.6325 7.6540 7.7524 7.8797 9.2491 9.4459 k = 0.2505 0.3775 0.3083 ( 5406 PWs) bands (ev): -20.9326 -20.9309 -20.9298 -20.9282 -20.3216 -20.3191 -20.3184 -20.3147 -20.1171 -20.1165 -20.1117 -20.1111 -6.5415 -6.5385 -6.5311 -6.5295 -3.6824 -3.6503 -3.6469 -3.6460 -2.9659 -2.9501 -2.9376 -2.9219 -2.0147 -2.0074 -1.9942 -1.9872 -1.7514 -1.7490 -1.7325 -1.7274 -1.3311 -1.3307 -1.3294 -1.3194 -1.0747 -1.0692 -1.0685 -1.0607 -0.7517 -0.7513 -0.7437 -0.7416 -0.6243 -0.6172 -0.6034 -0.5990 0.9322 0.9551 0.9835 0.9952 6.5961 6.6615 6.7605 6.7838 7.6701 7.6819 7.7945 7.9192 9.2554 9.4609 k = 0.2427 0.3657 0.3083 ( 5394 PWs) bands (ev): -20.9367 -20.9352 -20.9340 -20.9324 -20.3172 -20.3150 -20.3144 -20.3103 -20.1170 -20.1159 -20.1116 -20.1107 -6.5218 -6.5178 -6.5108 -6.5091 -3.6836 -3.6554 -3.6507 -3.6487 -2.9874 -2.9727 -2.9581 -2.9420 -2.0138 -2.0064 -1.9957 -1.9855 -1.7450 -1.7408 -1.7262 -1.7199 -1.3386 -1.3354 -1.3343 -1.3246 -1.0699 -1.0642 -1.0638 -1.0571 -0.7617 -0.7612 -0.7527 -0.7510 -0.6174 -0.6116 -0.5978 -0.5922 0.9108 0.9303 0.9596 0.9724 6.6036 6.6523 6.7508 6.7904 7.7079 7.7095 7.8362 7.9577 9.2631 9.4764 k = 0.2348 0.3539 0.3083 ( 5392 PWs) bands (ev): -20.9411 -20.9396 -20.9384 -20.9368 -20.3127 -20.3108 -20.3104 -20.3058 -20.1168 -20.1152 -20.1114 -20.1100 -6.5023 -6.4973 -6.4907 -6.4889 -3.6832 -3.6594 -3.6541 -3.6491 -3.0086 -2.9951 -2.9779 -2.9617 -2.0139 -2.0066 -1.9982 -1.9851 -1.7379 -1.7321 -1.7196 -1.7120 -1.3462 -1.3403 -1.3395 -1.3299 -1.0658 -1.0607 -1.0593 -1.0542 -0.7713 -0.7707 -0.7616 -0.7603 -0.6110 -0.6062 -0.5924 -0.5857 0.8890 0.9052 0.9353 0.9491 6.6130 6.6447 6.7427 6.7984 7.7366 7.7460 7.8775 7.9951 9.2720 9.4923 k = 0.2270 0.3421 0.3083 ( 5408 PWs) bands (ev): -20.9456 -20.9442 -20.9430 -20.9414 -20.3081 -20.3066 -20.3064 -20.3013 -20.1164 -20.1142 -20.1110 -20.1093 -6.4830 -6.4770 -6.4709 -6.4688 -3.6814 -3.6624 -3.6565 -3.6482 -3.0292 -3.0171 -2.9969 -2.9806 -2.0150 -2.0078 -2.0018 -1.9858 -1.7304 -1.7232 -1.7126 -1.7037 -1.3537 -1.3452 -1.3447 -1.3354 -1.0626 -1.0581 -1.0558 -1.0523 -0.7805 -0.7797 -0.7702 -0.7694 -0.6050 -0.6012 -0.5874 -0.5797 0.8671 0.8797 0.9105 0.9255 6.6243 6.6388 6.7360 6.8080 7.7633 7.7842 7.9183 8.0314 9.2822 9.5084 k = 0.2192 0.3303 0.3083 ( 5414 PWs) bands (ev): -20.9503 -20.9490 -20.9477 -20.9461 -20.3035 -20.3023 -20.3023 -20.2967 -20.1158 -20.1132 -20.1104 -20.1083 -6.4639 -6.4569 -6.4514 -6.4491 -3.6783 -3.6645 -3.6579 -3.6462 -3.0489 -3.0384 -3.0146 -2.9985 -2.0172 -2.0101 -2.0061 -1.9876 -1.7226 -1.7143 -1.7055 -1.6953 -1.3611 -1.3498 -1.3498 -1.3407 -1.0604 -1.0565 -1.0535 -1.0516 -0.7891 -0.7881 -0.7784 -0.7780 -0.5995 -0.5968 -0.5829 -0.5744 0.8449 0.8541 0.8854 0.9015 6.6347 6.6375 6.7309 6.8191 7.7896 7.8225 7.9587 8.0663 9.2933 9.5245 k = 0.2113 0.3185 0.3083 ( 5414 PWs) bands (ev): -20.9551 -20.9539 -20.9526 -20.9510 -20.2989 -20.2982 -20.2981 -20.2922 -20.1151 -20.1119 -20.1097 -20.1073 -6.4452 -6.4372 -6.4321 -6.4297 -3.6741 -3.6659 -3.6586 -3.6432 -3.0675 -3.0589 -3.0310 -3.0151 -2.0202 -2.0133 -2.0113 -1.9904 -1.7147 -1.7055 -1.6985 -1.6870 -1.3680 -1.3547 -1.3541 -1.3458 -1.0593 -1.0561 -1.0524 -1.0519 -0.7971 -0.7957 -0.7861 -0.7859 -0.5947 -0.5930 -0.5788 -0.5696 0.8226 0.8282 0.8600 0.8773 6.6324 6.6526 6.7274 6.8317 7.8156 7.8609 7.9986 8.1000 9.3054 9.5405 k = 0.2035 0.3067 0.3083 ( 5410 PWs) bands (ev): -20.9600 -20.9589 -20.9576 -20.9560 -20.2943 -20.2942 -20.2938 -20.2877 -20.1142 -20.1105 -20.1088 -20.1060 -6.4268 -6.4178 -6.4133 -6.4107 -3.6689 -3.6668 -3.6587 -3.6396 -3.0847 -3.0781 -3.0456 -3.0302 -2.0242 -2.0175 -2.0172 -1.9940 -1.7069 -1.6972 -1.6917 -1.6789 -1.3745 -1.3592 -1.3579 -1.3505 -1.0594 -1.0567 -1.0535 -1.0525 -0.8042 -0.8027 -0.7936 -0.7928 -0.5906 -0.5899 -0.5755 -0.5656 0.8003 0.8023 0.8344 0.8529 6.6318 6.6696 6.7255 6.8458 7.8412 7.8993 8.0379 8.1322 9.3183 9.5562 k = 0.1957 0.2949 0.3083 ( 5406 PWs) bands (ev): -20.9650 -20.9640 -20.9626 -20.9611 -20.2901 -20.2898 -20.2897 -20.2833 -20.1131 -20.1089 -20.1078 -20.1046 -6.4087 -6.3988 -6.3949 -6.3921 -3.6675 -3.6630 -3.6585 -3.6356 -3.1000 -3.0958 -3.0582 -3.0434 -2.0290 -2.0238 -2.0225 -1.9985 -1.6996 -1.6895 -1.6854 -1.6713 -1.3804 -1.3632 -1.3611 -1.3547 -1.0605 -1.0583 -1.0561 -1.0538 -0.8107 -0.8089 -0.8005 -0.7990 -0.5876 -0.5872 -0.5728 -0.5624 0.7764 0.7780 0.8087 0.8284 6.6328 6.6884 6.7251 6.8614 7.8663 7.9377 8.0766 8.1630 9.3318 9.5715 k = 0.1879 0.2831 0.3083 ( 5410 PWs) bands (ev): -20.9700 -20.9691 -20.9677 -20.9663 -20.2862 -20.2856 -20.2853 -20.2790 -20.1119 -20.1071 -20.1067 -20.1031 -6.3911 -6.3803 -6.3769 -6.3740 -3.6682 -3.6581 -3.6568 -3.6317 -3.1131 -3.1117 -3.0685 -3.0546 -2.0345 -2.0310 -2.0284 -2.0038 -1.6929 -1.6825 -1.6798 -1.6643 -1.3856 -1.3666 -1.3637 -1.3585 -1.0625 -1.0608 -1.0596 -1.0560 -0.8164 -0.8144 -0.8067 -0.8046 -0.5861 -0.5846 -0.5709 -0.5599 0.7506 0.7558 0.7829 0.8039 6.6356 6.7090 6.7263 6.8785 7.8911 7.9761 8.1147 8.1923 9.3458 9.5862 k = 0.1800 0.2713 0.3083 ( 5418 PWs) bands (ev): -20.9750 -20.9743 -20.9729 -20.9714 -20.2824 -20.2816 -20.2809 -20.2747 -20.1105 -20.1054 -20.1053 -20.1014 -6.3740 -6.3623 -6.3595 -6.3564 -3.6691 -3.6579 -3.6506 -3.6281 -3.1253 -3.1236 -3.0763 -3.0634 -2.0409 -2.0389 -2.0351 -2.0099 -1.6870 -1.6765 -1.6749 -1.6582 -1.3900 -1.3694 -1.3657 -1.3618 -1.0654 -1.0639 -1.0638 -1.0591 -0.8215 -0.8192 -0.8122 -0.8096 -0.5855 -0.5828 -0.5698 -0.5584 0.7250 0.7337 0.7572 0.7796 6.6400 6.7289 6.7315 6.8970 7.9155 8.0144 8.1521 8.2200 9.3601 9.6002 k = 0.1722 0.2595 0.3083 ( 5418 PWs) bands (ev): -20.9801 -20.9794 -20.9781 -20.9766 -20.2786 -20.2777 -20.2766 -20.2706 -20.1089 -20.1040 -20.1033 -20.0996 -6.3573 -6.3448 -6.3426 -6.3393 -3.6705 -3.6579 -3.6448 -3.6253 -3.1363 -3.1311 -3.0812 -3.0696 -2.0480 -2.0473 -2.0427 -2.0167 -1.6821 -1.6715 -1.6710 -1.6531 -1.3936 -1.3715 -1.3669 -1.3644 -1.0689 -1.0685 -1.0674 -1.0627 -0.8260 -0.8235 -0.8172 -0.8140 -0.5858 -0.5819 -0.5696 -0.5578 0.6997 0.7119 0.7317 0.7554 6.6460 6.7331 6.7556 6.9169 7.9395 8.0525 8.1888 8.2460 9.3747 9.6133 k = 0.1644 0.2477 0.3083 ( 5422 PWs) bands (ev): -20.9851 -20.9846 -20.9832 -20.9818 -20.2750 -20.2740 -20.2724 -20.2667 -20.1073 -20.1025 -20.1011 -20.0977 -6.3411 -6.3278 -6.3262 -6.3229 -3.6724 -3.6586 -3.6398 -3.6237 -3.1444 -3.1353 -3.0832 -3.0730 -2.0563 -2.0558 -2.0510 -2.0242 -1.6783 -1.6681 -1.6676 -1.6491 -1.3964 -1.3729 -1.3674 -1.3665 -1.0735 -1.0728 -1.0712 -1.0667 -0.8300 -0.8275 -0.8218 -0.8181 -0.5871 -0.5819 -0.5704 -0.5581 0.6749 0.6905 0.7064 0.7316 6.6535 6.7385 6.7814 6.9381 7.9630 8.0904 8.2246 8.2703 9.3893 9.6254 k = 0.1566 0.2359 0.3083 ( 5422 PWs) bands (ev): -20.9901 -20.9896 -20.9883 -20.9869 -20.2715 -20.2704 -20.2684 -20.2629 -20.1055 -20.1008 -20.0989 -20.0957 -6.3255 -6.3115 -6.3104 -6.3071 -3.6752 -3.6599 -3.6358 -3.6235 -3.1490 -3.1357 -3.0820 -3.0734 -2.0659 -2.0643 -2.0600 -2.0324 -1.6757 -1.6665 -1.6651 -1.6463 -1.3983 -1.3736 -1.3680 -1.3673 -1.0783 -1.0767 -1.0748 -1.0707 -0.8337 -0.8311 -0.8259 -0.8218 -0.5893 -0.5828 -0.5720 -0.5595 0.6507 0.6695 0.6816 0.7081 6.6624 6.7453 6.8087 6.9605 7.9860 8.1279 8.2597 8.2926 9.4040 9.6363 k = 0.1487 0.2241 0.3083 ( 5428 PWs) bands (ev): -20.9950 -20.9946 -20.9933 -20.9919 -20.2682 -20.2670 -20.2646 -20.2593 -20.1035 -20.0991 -20.0966 -20.0936 -6.3105 -6.2958 -6.2952 -6.2919 -3.6787 -3.6621 -3.6334 -3.6249 -3.1500 -3.1324 -3.0776 -3.0708 -2.0762 -2.0735 -2.0699 -2.0413 -1.6745 -1.6660 -1.6637 -1.6450 -1.3994 -1.3737 -1.3690 -1.3666 -1.0827 -1.0804 -1.0780 -1.0745 -0.8371 -0.8345 -0.8298 -0.8253 -0.5925 -0.5848 -0.5747 -0.5618 0.6270 0.6491 0.6572 0.6852 6.6727 6.7533 6.8375 6.9840 8.0084 8.1651 8.2937 8.3130 9.4186 9.6462 k = 0.1409 0.2123 0.3083 ( 5426 PWs) bands (ev): -20.9998 -20.9995 -20.9983 -20.9969 -20.2650 -20.2638 -20.2609 -20.2559 -20.1015 -20.0973 -20.0942 -20.0914 -6.2960 -6.2808 -6.2807 -6.2774 -3.6832 -3.6651 -3.6327 -3.6281 -3.1471 -3.1251 -3.0701 -3.0651 -2.0870 -2.0835 -2.0805 -2.0509 -1.6746 -1.6668 -1.6637 -1.6450 -1.3997 -1.3732 -1.3696 -1.3655 -1.0866 -1.0837 -1.0806 -1.0778 -0.8404 -0.8378 -0.8335 -0.8287 -0.5967 -0.5876 -0.5783 -0.5651 0.6042 0.6293 0.6335 0.6630 6.6842 6.7623 6.8676 7.0086 8.0302 8.2016 8.3268 8.3313 9.4331 9.6548 k = 0.1331 0.2005 0.3083 ( 5430 PWs) bands (ev): -21.0045 -21.0043 -21.0031 -21.0017 -20.2620 -20.2607 -20.2575 -20.2528 -20.0994 -20.0954 -20.0918 -20.0892 -6.2822 -6.2668 -6.2665 -6.2637 -3.6884 -3.6691 -3.6338 -3.6329 -3.1403 -3.1140 -3.0594 -3.0565 -2.0984 -2.0941 -2.0919 -2.0612 -1.6760 -1.6688 -1.6649 -1.6464 -1.3993 -1.3723 -1.3699 -1.3639 -1.0895 -1.0863 -1.0824 -1.0805 -0.8436 -0.8411 -0.8372 -0.8320 -0.6017 -0.5915 -0.5828 -0.5695 0.5823 0.6102 0.6106 0.6415 6.6968 6.7723 6.8989 7.0339 8.0512 8.2376 8.3474 8.3586 9.4475 9.6622 k = 0.1252 0.1887 0.3083 ( 5424 PWs) bands (ev): -21.0090 -21.0089 -21.0077 -21.0064 -20.2592 -20.2578 -20.2542 -20.2498 -20.0973 -20.0935 -20.0893 -20.0869 -6.2689 -6.2536 -6.2529 -6.2507 -3.6944 -3.6738 -3.6394 -3.6367 -3.1297 -3.0993 -3.0459 -3.0450 -2.1105 -2.1054 -2.1041 -2.0722 -1.6787 -1.6720 -1.6673 -1.6491 -1.3983 -1.3709 -1.3698 -1.3621 -1.0913 -1.0878 -1.0832 -1.0822 -0.8469 -0.8444 -0.8409 -0.8354 -0.6077 -0.5962 -0.5883 -0.5748 0.5613 0.5885 0.5919 0.6208 6.7104 6.7830 6.9312 7.0600 8.0715 8.2727 8.3612 8.3893 9.4617 9.6683 k = 0.1174 0.1770 0.3083 ( 5416 PWs) bands (ev): -21.0134 -21.0134 -21.0122 -21.0109 -20.2565 -20.2552 -20.2511 -20.2470 -20.0951 -20.0915 -20.0868 -20.0846 -6.2563 -6.2411 -6.2400 -6.2384 -3.7009 -3.6792 -3.6471 -3.6412 -3.1155 -3.0814 -3.0309 -3.0297 -2.1233 -2.1175 -2.1171 -2.0840 -1.6825 -1.6762 -1.6708 -1.6530 -1.3969 -1.3695 -1.3693 -1.3602 -1.0919 -1.0883 -1.0829 -1.0828 -0.8503 -0.8479 -0.8446 -0.8390 -0.6144 -0.6019 -0.5947 -0.5811 0.5414 0.5673 0.5746 0.6011 6.7248 6.7944 6.9644 7.0867 8.0909 8.3069 8.3725 8.4185 9.4758 9.6733 k = 0.1096 0.1652 0.3083 ( 5412 PWs) bands (ev): -21.0176 -21.0176 -21.0165 -21.0152 -20.2541 -20.2527 -20.2482 -20.2444 -20.0929 -20.0895 -20.0844 -20.0824 -6.2444 -6.2293 -6.2279 -6.2270 -3.7079 -3.6851 -3.6559 -3.6472 -3.0981 -3.0606 -3.0145 -3.0110 -2.1367 -2.1309 -2.1302 -2.0965 -1.6873 -1.6814 -1.6752 -1.6581 -1.3951 -1.3692 -1.3675 -1.3583 -1.0911 -1.0875 -1.0824 -1.0812 -0.8538 -0.8516 -0.8485 -0.8427 -0.6218 -0.6084 -0.6019 -0.5882 0.5227 0.5472 0.5582 0.5824 6.7398 6.8063 6.9982 7.1136 8.1094 8.3401 8.3813 8.4463 9.4898 9.6772 k = 0.1018 0.1534 0.3083 ( 5420 PWs) bands (ev): -21.0217 -21.0215 -21.0207 -21.0194 -20.2518 -20.2504 -20.2456 -20.2421 -20.0907 -20.0876 -20.0820 -20.0801 -6.2331 -6.2182 -6.2166 -6.2163 -3.7151 -3.6914 -3.6654 -3.6542 -3.0780 -3.0373 -2.9960 -2.9902 -2.1509 -2.1455 -2.1436 -2.1098 -1.6929 -1.6875 -1.6805 -1.6641 -1.3932 -1.3688 -1.3656 -1.3564 -1.0889 -1.0853 -1.0806 -1.0782 -0.8576 -0.8555 -0.8527 -0.8468 -0.6297 -0.6156 -0.6099 -0.5962 0.5051 0.5282 0.5428 0.5647 6.7553 6.8183 7.0323 7.1406 8.1269 8.3721 8.3876 8.4724 9.5037 9.6800 k = 0.0939 0.1416 0.3083 ( 5432 PWs) bands (ev): -21.0255 -21.0253 -21.0245 -21.0233 -20.2497 -20.2483 -20.2432 -20.2399 -20.0885 -20.0857 -20.0796 -20.0780 -6.2226 -6.2078 -6.2064 -6.2061 -3.7224 -3.6979 -3.6755 -3.6621 -3.0555 -3.0120 -2.9759 -2.9677 -2.1658 -2.1610 -2.1577 -2.1238 -1.6991 -1.6941 -1.6863 -1.6708 -1.3910 -1.3683 -1.3637 -1.3547 -1.0852 -1.0818 -1.0775 -1.0739 -0.8616 -0.8598 -0.8572 -0.8512 -0.6381 -0.6234 -0.6184 -0.6048 0.4889 0.5104 0.5285 0.5482 6.7711 6.8305 7.0666 7.1675 8.1434 8.3912 8.4027 8.4968 9.5175 9.6819 k = 0.0861 0.1298 0.3083 ( 5438 PWs) bands (ev): -21.0291 -21.0288 -21.0282 -21.0270 -20.2477 -20.2465 -20.2409 -20.2380 -20.0864 -20.0838 -20.0774 -20.0759 -6.2127 -6.1983 -6.1974 -6.1964 -3.7296 -3.7044 -3.6857 -3.6705 -3.0312 -2.9851 -2.9546 -2.9437 -2.1813 -2.1772 -2.1722 -2.1385 -1.7058 -1.7012 -1.6926 -1.6781 -1.3889 -1.3680 -1.3619 -1.3532 -1.0801 -1.0768 -1.0731 -1.0684 -0.8660 -0.8645 -0.8620 -0.8561 -0.6467 -0.6317 -0.6273 -0.6140 0.4740 0.4939 0.5153 0.5330 6.7869 6.8425 7.1007 7.1940 8.1589 8.3923 8.4318 8.5193 9.5312 9.6830 k = 0.0783 0.1180 0.3083 ( 5444 PWs) bands (ev): -21.0324 -21.0321 -21.0316 -21.0304 -20.2460 -20.2448 -20.2389 -20.2362 -20.0844 -20.0821 -20.0752 -20.0739 -6.2036 -6.1894 -6.1892 -6.1875 -3.7364 -3.7108 -3.6960 -3.6791 -3.0054 -2.9570 -2.9324 -2.9188 -2.1975 -2.1941 -2.1873 -2.1538 -1.7127 -1.7084 -1.6991 -1.6858 -1.3867 -1.3676 -1.3601 -1.3519 -1.0737 -1.0706 -1.0674 -1.0617 -0.8707 -0.8696 -0.8673 -0.8616 -0.6554 -0.6402 -0.6365 -0.6235 0.4605 0.4787 0.5032 0.5190 6.8027 6.8542 7.1342 7.2196 8.1734 8.3908 8.4593 8.5398 9.5449 9.6834 k = 0.0704 0.1062 0.3083 ( 5444 PWs) bands (ev): -21.0355 -21.0350 -21.0347 -21.0335 -20.2444 -20.2433 -20.2371 -20.2347 -20.0825 -20.0804 -20.0732 -20.0720 -6.1951 -6.1818 -6.1814 -6.1794 -3.7429 -3.7168 -3.7060 -3.6877 -2.9788 -2.9282 -2.9099 -2.8931 -2.2143 -2.2117 -2.2026 -2.1697 -1.7195 -1.7157 -1.7057 -1.6935 -1.3845 -1.3674 -1.3584 -1.3508 -1.0659 -1.0630 -1.0605 -1.0538 -0.8759 -0.8753 -0.8732 -0.8677 -0.6638 -0.6489 -0.6458 -0.6333 0.4483 0.4648 0.4924 0.5062 6.8181 6.8653 7.1669 7.2442 8.1870 8.3871 8.4850 8.5582 9.5587 9.6833 k = 0.0626 0.0944 0.3083 ( 5448 PWs) bands (ev): -21.0382 -21.0377 -21.0375 -21.0364 -20.2430 -20.2419 -20.2355 -20.2334 -20.0807 -20.0789 -20.0714 -20.0703 -6.1875 -6.1753 -6.1741 -6.1722 -3.7488 -3.7224 -3.7156 -3.6961 -2.9519 -2.8992 -2.8875 -2.8674 -2.2315 -2.2296 -2.2179 -2.1860 -1.7262 -1.7229 -1.7121 -1.7012 -1.3824 -1.3672 -1.3568 -1.3498 -1.0571 -1.0544 -1.0525 -1.0450 -0.8816 -0.8816 -0.8798 -0.8745 -0.6718 -0.6574 -0.6549 -0.6431 0.4376 0.4523 0.4827 0.4947 6.8329 6.8756 7.1983 7.2673 8.1997 8.3811 8.5088 8.5745 9.5723 9.6828 k = 0.0548 0.0826 0.3083 ( 5436 PWs) bands (ev): -21.0407 -21.0401 -21.0401 -21.0389 -20.2417 -20.2408 -20.2340 -20.2322 -20.0791 -20.0775 -20.0696 -20.0688 -6.1805 -6.1697 -6.1676 -6.1659 -3.7540 -3.7274 -3.7247 -3.7041 -2.9251 -2.8705 -2.8659 -2.8420 -2.2488 -2.2477 -2.2330 -2.2024 -1.7326 -1.7296 -1.7182 -1.7085 -1.3804 -1.3672 -1.3553 -1.3491 -1.0472 -1.0447 -1.0434 -1.0353 -0.8885 -0.8879 -0.8870 -0.8821 -0.6791 -0.6656 -0.6636 -0.6527 0.4282 0.4411 0.4743 0.4845 6.8470 6.8849 7.2280 7.2886 8.2117 8.3732 8.5305 8.5885 9.5860 9.6821 k = 0.0470 0.0708 0.3083 ( 5432 PWs) bands (ev): -21.0428 -21.0423 -21.0422 -21.0412 -20.2406 -20.2398 -20.2328 -20.2312 -20.0776 -20.0762 -20.0681 -20.0674 -6.1744 -6.1649 -6.1620 -6.1604 -3.7584 -3.7331 -3.7318 -3.7115 -2.8989 -2.8457 -2.8426 -2.8175 -2.2660 -2.2657 -2.2474 -2.2187 -1.7384 -1.7358 -1.7237 -1.7154 -1.3786 -1.3672 -1.3540 -1.3486 -1.0365 -1.0342 -1.0335 -1.0249 -0.8963 -0.8949 -0.8948 -0.8905 -0.6855 -0.6732 -0.6716 -0.6619 0.4203 0.4313 0.4670 0.4757 6.8600 6.8930 7.2555 7.3076 8.2232 8.3637 8.5501 8.6002 9.5996 9.6813 k = 0.0391 0.0590 0.3083 ( 5432 PWs) bands (ev): -21.0446 -21.0442 -21.0440 -21.0431 -20.2397 -20.2390 -20.2317 -20.2304 -20.0763 -20.0752 -20.0668 -20.0662 -6.1690 -6.1610 -6.1571 -6.1557 -3.7619 -3.7407 -3.7353 -3.7183 -2.8741 -2.8276 -2.8163 -2.7948 -2.2829 -2.2826 -2.2605 -2.2346 -1.7435 -1.7414 -1.7285 -1.7216 -1.3768 -1.3674 -1.3528 -1.3482 -1.0251 -1.0231 -1.0228 -1.0141 -0.9047 -0.9037 -0.9024 -0.8997 -0.6909 -0.6800 -0.6788 -0.6705 0.4137 0.4230 0.4610 0.4681 6.8720 6.8998 7.2805 7.3239 8.2343 8.3530 8.5675 8.6095 9.6130 9.6806 k = 0.0313 0.0472 0.3083 ( 5430 PWs) bands (ev): -21.0461 -21.0457 -21.0454 -21.0447 -20.2389 -20.2383 -20.2308 -20.2298 -20.0752 -20.0743 -20.0657 -20.0652 -6.1645 -6.1580 -6.1531 -6.1519 -3.7645 -3.7475 -3.7380 -3.7243 -2.8513 -2.8123 -2.7922 -2.7745 -2.2988 -2.2981 -2.2719 -2.2494 -1.7478 -1.7461 -1.7325 -1.7269 -1.3752 -1.3677 -1.3517 -1.3480 -1.0132 -1.0115 -1.0114 -1.0030 -0.9139 -0.9132 -0.9106 -0.9096 -0.6950 -0.6859 -0.6849 -0.6782 0.4085 0.4159 0.4562 0.4618 6.8825 6.9050 7.3024 7.3372 8.2453 8.3412 8.5826 8.6163 9.6264 9.6800 k = 0.0235 0.0354 0.3083 ( 5422 PWs) bands (ev): -21.0472 -21.0470 -21.0465 -21.0460 -20.2383 -20.2379 -20.2301 -20.2293 -20.0743 -20.0736 -20.0648 -20.0644 -6.1607 -6.1558 -6.1500 -6.1491 -3.7661 -3.7532 -3.7397 -3.7294 -2.8311 -2.8007 -2.7714 -2.7578 -2.3125 -2.3116 -2.2808 -2.2628 -1.7512 -1.7500 -1.7356 -1.7314 -1.3737 -1.3681 -1.3507 -1.3479 -1.0011 -1.0000 -0.9996 -0.9919 -0.9237 -0.9233 -0.9200 -0.9193 -0.6978 -0.6905 -0.6899 -0.6849 0.4047 0.4103 0.4526 0.4567 6.8916 6.9085 7.3209 7.3470 8.2564 8.3289 8.5954 8.6207 9.6396 9.6798 k = 0.0157 0.0236 0.3083 ( 5422 PWs) bands (ev): -21.0481 -21.0479 -21.0473 -21.0469 -20.2378 -20.2375 -20.2295 -20.2290 -20.0737 -20.0732 -20.0642 -20.0639 -6.1578 -6.1545 -6.1477 -6.1470 -3.7666 -3.7580 -3.7405 -3.7336 -2.8144 -2.7935 -2.7548 -2.7455 -2.3231 -2.3223 -2.2866 -2.2740 -1.7536 -1.7528 -1.7377 -1.7349 -1.3724 -1.3687 -1.3499 -1.3480 -0.9892 -0.9885 -0.9880 -0.9814 -0.9338 -0.9337 -0.9303 -0.9283 -0.6992 -0.6940 -0.6935 -0.6905 0.4023 0.4060 0.4502 0.4530 6.8990 6.9103 7.3356 7.3530 8.2676 8.3163 8.6057 8.6227 9.6526 9.6798 k = 0.0078 0.0118 0.3083 ( 5414 PWs) bands (ev): -21.0485 -21.0485 -21.0477 -21.0475 -20.2375 -20.2374 -20.2292 -20.2289 -20.0732 -20.0730 -20.0637 -20.0636 -6.1557 -6.1540 -6.1462 -6.1459 -3.7661 -3.7618 -3.7403 -3.7368 -2.8018 -2.7911 -2.7433 -2.7386 -2.3298 -2.3293 -2.2890 -2.2824 -1.7550 -1.7546 -1.7386 -1.7372 -1.3713 -1.3694 -1.3492 -1.3482 -0.9784 -0.9779 -0.9777 -0.9731 -0.9434 -0.9433 -0.9391 -0.9368 -0.6992 -0.6960 -0.6958 -0.6948 0.4012 0.4030 0.4491 0.4504 6.9046 6.9103 7.3463 7.3550 8.2793 8.3037 8.6137 8.6222 9.6654 9.6804 k = 0.0000 0.0000 0.3083 ( 5410 PWs) bands (ev): -21.0487 -21.0487 -21.0478 -21.0478 -20.2374 -20.2374 -20.2290 -20.2290 -20.0730 -20.0730 -20.0636 -20.0636 -6.1544 -6.1544 -6.1456 -6.1456 -3.7645 -3.7645 -3.7391 -3.7391 -2.7939 -2.7939 -2.7378 -2.7378 -2.3320 -2.3320 -2.2875 -2.2875 -1.7554 -1.7554 -1.7385 -1.7385 -1.3702 -1.3702 -1.3486 -1.3486 -0.9727 -0.9727 -0.9712 -0.9712 -0.9484 -0.9484 -0.9420 -0.9420 -0.6977 -0.6977 -0.6966 -0.6966 0.4014 0.4014 0.4491 0.4491 6.9084 6.9084 7.3528 7.3528 8.2913 8.2913 8.6191 8.6191 9.6780 9.6780 k = 0.0000 0.0000 0.3083 ( 5410 PWs) bands (ev): -21.0487 -21.0487 -21.0478 -21.0478 -20.2374 -20.2374 -20.2290 -20.2290 -20.0730 -20.0730 -20.0636 -20.0636 -6.1544 -6.1544 -6.1456 -6.1456 -3.7645 -3.7645 -3.7391 -3.7391 -2.7939 -2.7939 -2.7378 -2.7378 -2.3320 -2.3320 -2.2875 -2.2875 -1.7554 -1.7554 -1.7385 -1.7385 -1.3702 -1.3702 -1.3486 -1.3486 -0.9727 -0.9727 -0.9712 -0.9712 -0.9484 -0.9484 -0.9420 -0.9420 -0.6977 -0.6977 -0.6966 -0.6966 0.4014 0.4014 0.4491 0.4491 6.9084 6.9084 7.3528 7.3528 8.2913 8.2913 8.6191 8.6191 9.6780 9.6780 k = 0.0000 0.0000 0.2943 ( 5406 PWs) bands (ev): -21.0592 -21.0583 -21.0379 -21.0370 -20.2408 -20.2341 -20.2320 -20.2261 -20.0823 -20.0725 -20.0637 -20.0547 -6.2051 -6.1966 -6.1021 -6.0929 -3.7695 -3.7599 -3.7416 -3.7369 -2.8446 -2.7869 -2.7436 -2.6892 -2.3568 -2.3131 -2.3072 -2.2620 -1.7730 -1.7563 -1.7373 -1.7203 -1.3752 -1.3653 -1.3524 -1.3449 -0.9751 -0.9749 -0.9726 -0.9707 -0.9574 -0.9476 -0.9382 -0.9340 -0.7106 -0.7080 -0.6843 -0.6841 0.3456 0.3925 0.4570 0.5055 6.8268 6.9928 7.2648 7.4434 8.2584 8.3215 8.5866 8.6482 9.6602 9.6693 k = 0.0000 0.0000 0.2803 ( 5410 PWs) bands (ev): -21.0694 -21.0685 -21.0270 -21.0261 -20.2445 -20.2353 -20.2309 -20.2234 -20.0916 -20.0815 -20.0545 -20.0459 -6.2539 -6.2459 -6.0482 -6.0387 -3.7749 -3.7557 -3.7446 -3.7351 -2.8957 -2.8365 -2.6939 -2.6411 -2.3815 -2.3387 -2.2827 -2.2368 -1.7901 -1.7735 -1.7188 -1.7016 -1.3803 -1.3604 -1.3565 -1.3412 -0.9815 -0.9793 -0.9767 -0.9729 -0.9629 -0.9511 -0.9276 -0.9244 -0.7227 -0.7184 -0.6714 -0.6702 0.2898 0.3358 0.5121 0.5612 6.7486 7.0796 7.1798 7.5363 8.2231 8.3489 8.5506 8.6737 9.6436 9.6591 k = 0.0000 0.0000 0.2663 ( 5419 PWs) bands (ev): -21.0793 -21.0784 -21.0159 -21.0150 -20.2484 -20.2389 -20.2280 -20.2208 -20.1008 -20.0904 -20.0455 -20.0373 -6.3009 -6.2933 -5.9930 -5.9831 -3.7806 -3.7519 -3.7480 -3.7337 -2.9471 -2.8866 -2.6449 -2.5936 -2.4059 -2.3640 -2.2585 -2.2120 -1.8066 -1.7901 -1.7000 -1.6826 -1.3858 -1.3608 -1.3552 -1.3373 -0.9894 -0.9857 -0.9838 -0.9772 -0.9653 -0.9535 -0.9172 -0.9142 -0.7338 -0.7275 -0.6580 -0.6559 0.2343 0.2794 0.5663 0.6161 6.6740 7.0979 7.1684 7.6311 8.1856 8.3735 8.5114 8.6960 9.6281 9.6507 k = 0.0000 0.0000 0.2522 ( 5419 PWs) bands (ev): -21.0888 -21.0880 -21.0047 -21.0038 -20.2524 -20.2426 -20.2251 -20.2184 -20.1099 -20.0992 -20.0366 -20.0289 -6.3460 -6.3387 -5.9364 -5.9263 -3.7868 -3.7517 -3.7485 -3.7327 -2.9989 -2.9372 -2.5969 -2.5470 -2.4298 -2.3886 -2.2346 -2.1875 -1.8225 -1.8061 -1.6809 -1.6633 -1.3916 -1.3657 -1.3498 -1.3332 -0.9979 -0.9944 -0.9909 -0.9832 -0.9671 -0.9558 -0.9073 -0.9037 -0.7437 -0.7350 -0.6443 -0.6415 0.1794 0.2235 0.6195 0.6696 6.6034 7.0195 7.2587 7.7274 8.1465 8.3953 8.4692 8.7151 9.6138 9.6440 k = 0.0000 0.0000 0.2382 ( 5423 PWs) bands (ev): -21.0980 -21.0972 -20.9934 -20.9926 -20.2567 -20.2467 -20.2224 -20.2161 -20.1187 -20.1078 -20.0281 -20.0208 -6.3890 -6.3821 -5.8788 -5.8683 -3.7932 -3.7557 -3.7454 -3.7321 -3.0509 -2.9882 -2.5505 -2.5021 -2.4521 -2.4120 -2.2111 -2.1636 -1.8377 -1.8215 -1.6617 -1.6439 -1.3980 -1.3711 -1.3441 -1.3287 -1.0062 -1.0033 -0.9990 -0.9906 -0.9692 -0.9584 -0.8982 -0.8936 -0.7522 -0.7409 -0.6305 -0.6271 0.1252 0.1684 0.6714 0.7217 6.5372 6.9446 7.3499 7.8244 8.1062 8.4143 8.4242 8.7315 9.6005 9.6388 k = 0.0000 0.0000 0.2242 ( 5419 PWs) bands (ev): -21.1068 -21.1061 -20.9822 -20.9814 -20.2611 -20.2510 -20.2199 -20.2140 -20.1271 -20.1161 -20.0198 -20.0130 -6.4298 -6.4234 -5.8202 -5.8095 -3.8000 -3.7601 -3.7427 -3.7318 -3.1032 -3.0396 -2.5082 -2.4810 -2.4509 -2.4317 -2.1880 -2.1400 -1.8523 -1.8361 -1.6424 -1.6243 -1.4049 -1.3772 -1.3378 -1.3238 -1.0141 -1.0121 -1.0078 -0.9992 -0.9717 -0.9614 -0.8902 -0.8842 -0.7590 -0.7447 -0.6167 -0.6128 0.0721 0.1143 0.7216 0.7718 6.4757 6.8736 7.4414 7.9201 8.0668 8.3770 8.4309 8.7457 9.5882 9.6349 k = 0.0000 0.0000 0.2102 ( 5415 PWs) bands (ev): -21.1152 -21.1145 -20.9710 -20.9702 -20.2658 -20.2557 -20.2175 -20.2120 -20.1351 -20.1242 -20.0118 -20.0055 -6.4685 -6.4625 -5.7610 -5.7501 -3.8070 -3.7647 -3.7403 -3.7318 -3.1557 -3.0915 -2.5002 -2.4849 -2.4327 -2.4098 -2.1651 -2.1169 -1.8660 -1.8501 -1.6232 -1.6048 -1.4126 -1.3842 -1.3310 -1.3184 -1.0218 -1.0215 -1.0164 -1.0087 -0.9748 -0.9648 -0.8837 -0.8760 -0.7638 -0.7464 -0.6029 -0.5988 0.0203 0.0615 0.7699 0.8199 6.4192 6.8064 7.5327 7.9923 8.0504 8.3278 8.4454 8.7581 9.5767 9.6321 k = 0.0000 0.0000 0.1962 ( 5417 PWs) bands (ev): -21.1231 -21.1224 -20.9599 -20.9591 -20.2707 -20.2607 -20.2152 -20.2102 -20.1427 -20.1318 -20.0043 -19.9983 -6.5050 -6.4994 -5.7013 -5.6902 -3.8142 -3.7695 -3.7381 -3.7322 -3.2083 -3.1437 -2.5205 -2.4950 -2.4008 -2.3679 -2.1424 -2.0942 -1.8790 -1.8633 -1.6041 -1.5855 -1.4211 -1.3921 -1.3235 -1.3124 -1.0323 -1.0295 -1.0238 -1.0185 -0.9783 -0.9687 -0.8790 -0.8697 -0.7661 -0.7457 -0.5895 -0.5851 -0.0301 0.0102 0.8162 0.8655 6.3679 6.7431 7.6230 7.9695 8.1277 8.2773 8.4587 8.7695 9.5658 9.6299 k = 0.0000 0.0000 0.1822 ( 5417 PWs) bands (ev): -21.1306 -21.1299 -20.9490 -20.9482 -20.2757 -20.2659 -20.2131 -20.2085 -20.1496 -20.1391 -19.9971 -19.9916 -6.5391 -6.5339 -5.6414 -5.6302 -3.8215 -3.7743 -3.7362 -3.7329 -3.2609 -3.1961 -2.5399 -2.5136 -2.3612 -2.3278 -2.1195 -2.0717 -1.8910 -1.8757 -1.5852 -1.5665 -1.4305 -1.4010 -1.3153 -1.3057 -1.0441 -1.0385 -1.0299 -1.0272 -0.9821 -0.9728 -0.8762 -0.8656 -0.7656 -0.7428 -0.5764 -0.5719 -0.0788 -0.0394 0.8601 0.9084 6.3221 6.6837 7.7115 7.9294 8.2198 8.2260 8.4724 8.7806 9.5555 9.6282 k = 0.0000 0.0000 0.1682 ( 5429 PWs) bands (ev): -21.1376 -21.1370 -20.9383 -20.9376 -20.2809 -20.2715 -20.2111 -20.2069 -20.1560 -20.1458 -19.9903 -19.9852 -6.5709 -6.5661 -5.5816 -5.5705 -3.8288 -3.7793 -3.7346 -3.7339 -3.3131 -3.2486 -2.5581 -2.5327 -2.3219 -2.2900 -2.0961 -2.0494 -1.9020 -1.8873 -1.5668 -1.5480 -1.4407 -1.4110 -1.3065 -1.2984 -1.0565 -1.0494 -1.0350 -1.0337 -0.9863 -0.9773 -0.8753 -0.8641 -0.7624 -0.7378 -0.5637 -0.5592 -0.1256 -0.0873 0.9015 0.9484 6.2818 6.6282 7.7969 7.8886 8.1747 8.3062 8.4906 8.7921 9.5453 9.6265 k = 0.0000 0.0000 0.1541 ( 5431 PWs) bands (ev): -21.1441 -21.1435 -20.9280 -20.9274 -20.2862 -20.2772 -20.2093 -20.2054 -20.1617 -20.1521 -19.9840 -19.9794 -6.6003 -6.5959 -5.5224 -5.5113 -3.8361 -3.7842 -3.7353 -3.7331 -3.3648 -3.3008 -2.5749 -2.5510 -2.2845 -2.2552 -2.0720 -2.0273 -1.9118 -1.8980 -1.5489 -1.5301 -1.4519 -1.4221 -1.2970 -1.2905 -1.0692 -1.0617 -1.0392 -1.0384 -0.9907 -0.9820 -0.8762 -0.8650 -0.7565 -0.7310 -0.5516 -0.5471 -0.1704 -0.1330 0.9402 0.9854 6.2472 6.5765 7.8491 7.8775 8.1248 8.3751 8.5236 8.8049 9.5352 9.6246 k = 0.0000 0.0000 0.1401 ( 5427 PWs) bands (ev): -21.1500 -21.1495 -20.9182 -20.9176 -20.2915 -20.2831 -20.2076 -20.2041 -20.1668 -20.1578 -19.9781 -19.9739 -6.6272 -6.6233 -5.4642 -5.4533 -3.8433 -3.7889 -3.7370 -3.7318 -3.4154 -3.3523 -2.5901 -2.5682 -2.2498 -2.2239 -2.0468 -2.0056 -1.9199 -1.9078 -1.5317 -1.5130 -1.4640 -1.4343 -1.2868 -1.2819 -1.0819 -1.0746 -1.0424 -1.0419 -0.9952 -0.9869 -0.8787 -0.8680 -0.7487 -0.7227 -0.5402 -0.5358 -0.2129 -0.1766 0.9761 1.0191 6.2183 6.5285 7.8117 7.9481 8.0810 8.4142 8.5831 8.8199 9.5249 9.6222 k = 0.0000 0.0000 0.1261 ( 5435 PWs) bands (ev): -21.1555 -21.1550 -20.9088 -20.9083 -20.2967 -20.2890 -20.2060 -20.2029 -20.1712 -20.1630 -19.9727 -19.9690 -6.6517 -6.6481 -5.4074 -5.3968 -3.8503 -3.7936 -3.7392 -3.7306 -3.4644 -3.4029 -2.6039 -2.5840 -2.2182 -2.1964 -2.0207 -1.9857 -1.9247 -1.9165 -1.5155 -1.4971 -1.4768 -1.4475 -1.2761 -1.2730 -1.0942 -1.0875 -1.0447 -1.0445 -0.9999 -0.9918 -0.8824 -0.8725 -0.7393 -0.7134 -0.5295 -0.5253 -0.2529 -0.2178 1.0090 1.0494 6.1951 6.4839 7.7771 7.9799 8.0716 8.4307 8.6611 8.8378 9.5143 9.6188 k = 0.0000 0.0000 0.1121 ( 5431 PWs) bands (ev): -21.1604 -21.1599 -20.9001 -20.8996 -20.3018 -20.2948 -20.2046 -20.2019 -20.1750 -20.1676 -19.9679 -19.9645 -6.6737 -6.6705 -5.3527 -5.3425 -3.8570 -3.7981 -3.7419 -3.7296 -3.5111 -3.4519 -2.6161 -2.5983 -2.1902 -2.1729 -1.9944 -1.9712 -1.9234 -1.9226 -1.5017 -1.4889 -1.4833 -1.4607 -1.2651 -1.2638 -1.1059 -1.1001 -1.0462 -1.0462 -1.0045 -0.9969 -0.8871 -0.8782 -0.7290 -0.7035 -0.5196 -0.5157 -0.2901 -0.2564 1.0389 1.0762 6.1774 6.4425 7.7460 7.9506 8.1183 8.4370 8.7445 8.8594 9.5031 9.6142 k = 0.0000 0.0000 0.0981 ( 5433 PWs) bands (ev): -21.1647 -21.1643 -20.8921 -20.8916 -20.3066 -20.3004 -20.2033 -20.2010 -20.1783 -20.1717 -19.9635 -19.9606 -6.6931 -6.6903 -5.3008 -5.2913 -3.8631 -3.8026 -3.7452 -3.7286 -3.5545 -3.4988 -2.6267 -2.6111 -2.1659 -2.1530 -1.9707 -1.9663 -1.9262 -1.9096 -1.5073 -1.4832 -1.4818 -1.4638 -1.2548 -1.2542 -1.1165 -1.1120 -1.0472 -1.0468 -1.0092 -1.0019 -0.8926 -0.8847 -0.7180 -0.6932 -0.5107 -0.5070 -0.3244 -0.2924 1.0658 1.0995 6.1652 6.4042 7.7190 7.9078 8.1734 8.4386 8.8268 8.8853 9.4917 9.6080 k = 0.0000 0.0000 0.0841 ( 5443 PWs) bands (ev): -21.1685 -21.1681 -20.8849 -20.8845 -20.3110 -20.3056 -20.2022 -20.2002 -20.1809 -20.1753 -19.9597 -19.9572 -6.7100 -6.7076 -5.2525 -5.2438 -3.8686 -3.8076 -3.7490 -3.7278 -3.5932 -3.5427 -2.6357 -2.6223 -2.1452 -2.1365 -1.9676 -1.9581 -1.9170 -1.8895 -1.5217 -1.4961 -1.4703 -1.4534 -1.2463 -1.2438 -1.1256 -1.1228 -1.0475 -1.0468 -1.0138 -1.0068 -0.8986 -0.8917 -0.7067 -0.6829 -0.5028 -0.4994 -0.3554 -0.3254 1.0894 1.1192 6.1583 6.3688 7.6967 7.8647 8.2236 8.4373 8.9046 8.9153 9.4802 9.5998 k = 0.0000 0.0000 0.0701 ( 5443 PWs) bands (ev): -21.1717 -21.1714 -20.8785 -20.8782 -20.3149 -20.3104 -20.2012 -20.1996 -20.1830 -20.1784 -19.9564 -19.9543 -6.7242 -6.7223 -5.2088 -5.2011 -3.8732 -3.8136 -3.7531 -3.7272 -3.6259 -3.5830 -2.6431 -2.6320 -2.1283 -2.1230 -1.9707 -1.9582 -1.8951 -1.8672 -1.5366 -1.5125 -1.4581 -1.4431 -1.2388 -1.2346 -1.1329 -1.1320 -1.0472 -1.0461 -1.0182 -1.0117 -0.9046 -0.8988 -0.6953 -0.6731 -0.4960 -0.4929 -0.3827 -0.3553 1.1099 1.1354 6.1562 6.3359 7.6796 7.8239 8.2669 8.4340 8.9491 8.9751 9.4697 9.5890 k = 0.0000 0.0000 0.0561 ( 5445 PWs) bands (ev): -21.1743 -21.1741 -20.8732 -20.8730 -20.3182 -20.3146 -20.2003 -20.1991 -20.1847 -20.1809 -19.9537 -19.9520 -6.7359 -6.7343 -5.1707 -5.1642 -3.8764 -3.8217 -3.7565 -3.7269 -3.6515 -3.6187 -2.6490 -2.6401 -2.1148 -2.1122 -1.9737 -1.9619 -1.8703 -1.8455 -1.5510 -1.5292 -1.4472 -1.4343 -1.2327 -1.2272 -1.1390 -1.1382 -1.0463 -1.0447 -1.0224 -1.0164 -0.9105 -0.9057 -0.6841 -0.6641 -0.4903 -0.4877 -0.4058 -0.3817 1.1272 1.1480 6.1588 6.3055 7.6681 7.7863 8.3030 8.4290 8.9852 9.0351 9.4616 9.5755 k = 0.0000 0.0000 0.0420 ( 5449 PWs) bands (ev): -21.1763 -21.1762 -20.8690 -20.8688 -20.3207 -20.3181 -20.1996 -20.1987 -20.1858 -20.1830 -19.9515 -19.9502 -6.7450 -6.7438 -5.1393 -5.1342 -3.8779 -3.8323 -3.7577 -3.7274 -3.6699 -3.6486 -2.6533 -2.6466 -2.1046 -2.1038 -1.9759 -1.9662 -1.8468 -1.8264 -1.5638 -1.5454 -1.4379 -1.4276 -1.2282 -1.2223 -1.1434 -1.1415 -1.0449 -1.0429 -1.0264 -1.0208 -0.9156 -0.9120 -0.6735 -0.6568 -0.4859 -0.4836 -0.4239 -0.4043 1.1413 1.1572 6.1657 6.2775 7.6624 7.7528 8.3326 8.4225 9.0220 9.0808 9.4585 9.5588 k = 0.0000 0.0000 0.0280 ( 5443 PWs) bands (ev): -21.1778 -21.1777 -20.8659 -20.8658 -20.3225 -20.3207 -20.1991 -20.1985 -20.1865 -20.1846 -19.9498 -19.9490 -6.7514 -6.7506 -5.1157 -5.1121 -3.8770 -3.8445 -3.7557 -3.7296 -3.6819 -3.6714 -2.6560 -2.6516 -2.0976 -2.0976 -1.9771 -1.9702 -1.8266 -1.8118 -1.5736 -1.5599 -1.4304 -1.4232 -1.2249 -1.2200 -1.1454 -1.1433 -1.0431 -1.0406 -1.0299 -1.0250 -0.9196 -0.9171 -0.6641 -0.6518 -0.4827 -0.4810 -0.4363 -0.4223 1.1522 1.1629 6.1765 6.2519 7.6628 7.7239 8.3566 8.4143 9.0570 9.1088 9.4629 9.5391 k = 0.0000 0.0000 0.0140 ( 5441 PWs) bands (ev): -21.1786 -21.1786 -20.8640 -20.8640 -20.3234 -20.3225 -20.1987 -20.1984 -20.1867 -20.1857 -19.9488 -19.9484 -6.7551 -6.7547 -5.1007 -5.0989 -3.8732 -3.8564 -3.7504 -3.7349 -3.6885 -3.6852 -2.6572 -2.6550 -2.0938 -2.0936 -1.9770 -1.9734 -1.8116 -1.8037 -1.5787 -1.5713 -1.4250 -1.4213 -1.2226 -1.2198 -1.1456 -1.1443 -1.0410 -1.0387 -1.0323 -1.0288 -0.9219 -0.9207 -0.6565 -0.6499 -0.4807 -0.4797 -0.4424 -0.4351 1.1598 1.1652 6.1908 6.2288 7.6693 7.7001 8.3759 8.4041 9.0872 9.1175 9.4758 9.5173 k = 0.0000 0.0000 0.0000 ( 5443 PWs) bands (ev): -21.1789 -21.1789 -20.8634 -20.8634 -20.3234 -20.3234 -20.1985 -20.1985 -20.1864 -20.1864 -19.9483 -19.9483 -6.7563 -6.7563 -5.0950 -5.0950 -3.8663 -3.8663 -3.7427 -3.7427 -3.6902 -3.6902 -2.6569 -2.6569 -2.0924 -2.0924 -1.9758 -1.9758 -1.8036 -1.8036 -1.5780 -1.5780 -1.4219 -1.4219 -1.2209 -1.2209 -1.1451 -1.1451 -1.0390 -1.0390 -1.0318 -1.0318 -0.9223 -0.9223 -0.6515 -0.6515 -0.4797 -0.4797 -0.4419 -0.4419 1.1641 1.1641 6.2084 6.2084 7.6818 7.6818 8.3915 8.3915 9.1088 9.1088 9.4951 9.4951 k = 0.0000 0.0000 0.0000 ( 5443 PWs) bands (ev): -21.1789 -21.1789 -20.8634 -20.8634 -20.3234 -20.3234 -20.1985 -20.1985 -20.1864 -20.1864 -19.9483 -19.9483 -6.7563 -6.7563 -5.0950 -5.0950 -3.8663 -3.8663 -3.7427 -3.7427 -3.6902 -3.6902 -2.6569 -2.6569 -2.0924 -2.0924 -1.9758 -1.9758 -1.8036 -1.8036 -1.5780 -1.5780 -1.4219 -1.4219 -1.2209 -1.2209 -1.1451 -1.1451 -1.0390 -1.0390 -1.0318 -1.0318 -0.9223 -0.9223 -0.6515 -0.6515 -0.4797 -0.4797 -0.4419 -0.4419 1.1641 1.1641 6.2084 6.2084 7.6818 7.6818 8.3915 8.3915 9.1088 9.1088 9.4951 9.4951 k =-0.0116 0.0077 0.0000 ( 5445 PWs) bands (ev): -21.1788 -21.1787 -20.8634 -20.8632 -20.3234 -20.3234 -20.1988 -20.1987 -20.1867 -20.1862 -19.9483 -19.9483 -6.7580 -6.7572 -5.0992 -5.0960 -3.8655 -3.8648 -3.7443 -3.7381 -3.6894 -3.6881 -2.6586 -2.6542 -2.0923 -2.0920 -1.9761 -1.9758 -1.8043 -1.8039 -1.5781 -1.5780 -1.4220 -1.4219 -1.2221 -1.2212 -1.1484 -1.1449 -1.0433 -1.0395 -1.0387 -1.0324 -0.9150 -0.9131 -0.6513 -0.6511 -0.4796 -0.4795 -0.4423 -0.4388 1.1630 1.1665 6.2079 6.2102 7.6711 7.6899 8.3830 8.3976 9.1059 9.1097 9.4888 9.4989 k =-0.0233 0.0154 0.0000 ( 5449 PWs) bands (ev): -21.1783 -21.1780 -20.8631 -20.8628 -20.3233 -20.3233 -20.1998 -20.1995 -20.1871 -20.1862 -19.9484 -19.9484 -6.7624 -6.7609 -5.1085 -5.1023 -3.8625 -3.8609 -3.7423 -3.7313 -3.6862 -3.6825 -2.6593 -2.6507 -2.0918 -2.0912 -1.9767 -1.9761 -1.8059 -1.8052 -1.5784 -1.5781 -1.4223 -1.4221 -1.2249 -1.2232 -1.1543 -1.1478 -1.0633 -1.0535 -1.0362 -1.0287 -0.8948 -0.8933 -0.6503 -0.6499 -0.4793 -0.4790 -0.4401 -0.4330 1.1630 1.1701 6.2087 6.2133 7.6578 7.6954 8.3722 8.4014 9.1009 9.1085 9.4801 9.5001 k =-0.0349 0.0231 0.0000 ( 5453 PWs) bands (ev): -21.1774 -21.1770 -20.8626 -20.8621 -20.3231 -20.3231 -20.2013 -20.2009 -20.1876 -20.1863 -19.9485 -19.9485 -6.7694 -6.7672 -5.1226 -5.1136 -3.8577 -3.8548 -3.7372 -3.7241 -3.6801 -3.6719 -2.6591 -2.6463 -2.0908 -2.0900 -1.9776 -1.9768 -1.8085 -1.8074 -1.5788 -1.5783 -1.4228 -1.4224 -1.2298 -1.2274 -1.1620 -1.1533 -1.0857 -1.0730 -1.0313 -1.0217 -0.8693 -0.8690 -0.6486 -0.6480 -0.4787 -0.4783 -0.4349 -0.4242 1.1643 1.1749 6.2109 6.2177 7.6421 7.6981 8.3590 8.4029 9.0937 9.1053 9.4693 9.4986 k =-0.0465 0.0309 0.0000 ( 5443 PWs) bands (ev): -21.1761 -21.1757 -20.8619 -20.8612 -20.3228 -20.3228 -20.2032 -20.2028 -20.1883 -20.1867 -19.9487 -19.9487 -6.7790 -6.7760 -5.1411 -5.1296 -3.8513 -3.8468 -3.7298 -3.7175 -3.6702 -3.6555 -2.6578 -2.6409 -2.0894 -2.0883 -1.9789 -1.9778 -1.8121 -1.8107 -1.5793 -1.5787 -1.4235 -1.4229 -1.2373 -1.2346 -1.1708 -1.1605 -1.1066 -1.0921 -1.0249 -1.0138 -0.8445 -0.8416 -0.6461 -0.6454 -0.4779 -0.4775 -0.4268 -0.4123 1.1669 1.1810 6.2142 6.2235 7.6240 7.6982 8.3432 8.4020 9.0843 9.1001 9.4565 9.4944 k =-0.0581 0.0386 0.0000 ( 5443 PWs) bands (ev): -21.1745 -21.1739 -20.8610 -20.8601 -20.3224 -20.3224 -20.2055 -20.2052 -20.1892 -20.1873 -19.9490 -19.9490 -6.7910 -6.7874 -5.1637 -5.1498 -3.8440 -3.8375 -3.7211 -3.7113 -3.6557 -3.6335 -2.6553 -2.6344 -2.0876 -2.0862 -1.9807 -1.9792 -1.8166 -1.8148 -1.5799 -1.5792 -1.4243 -1.4236 -1.2482 -1.2457 -1.1802 -1.1687 -1.1237 -1.1086 -1.0176 -1.0054 -0.8203 -0.8146 -0.6429 -0.6421 -0.4768 -0.4764 -0.4152 -0.3970 1.1706 1.1882 6.2188 6.2306 7.6036 7.6956 8.3248 8.3985 9.0726 9.0930 9.4420 9.4875 k =-0.0698 0.0463 0.0000 ( 5440 PWs) bands (ev): -21.1725 -21.1718 -20.8598 -20.8588 -20.3220 -20.3220 -20.2083 -20.2080 -20.1904 -20.1882 -19.9493 -19.9492 -6.8053 -6.8011 -5.1896 -5.1739 -3.8362 -3.8276 -3.7119 -3.7046 -3.6360 -3.6070 -2.6515 -2.6268 -2.0855 -2.0837 -1.9828 -1.9811 -1.8220 -1.8198 -1.5808 -1.5798 -1.4253 -1.4244 -1.2625 -1.2611 -1.1898 -1.1773 -1.1362 -1.1212 -1.0101 -0.9970 -0.7976 -0.7890 -0.6390 -0.6382 -0.4756 -0.4751 -0.4001 -0.3782 1.1756 1.1965 6.2246 6.2390 7.5810 7.6903 8.3037 8.3924 9.0588 9.0838 9.4261 9.4774 k =-0.0814 0.0540 0.0000 ( 5438 PWs) bands (ev): -21.1702 -21.1693 -20.8585 -20.8573 -20.3214 -20.3214 -20.2114 -20.2112 -20.1918 -20.1894 -19.9496 -19.9496 -6.8218 -6.8170 -5.2185 -5.2012 -3.8284 -3.8177 -3.7022 -3.6966 -3.6113 -3.5768 -2.6463 -2.6180 -2.0830 -2.0809 -1.9856 -1.9836 -1.8282 -1.8258 -1.5818 -1.5807 -1.4264 -1.4254 -1.2798 -1.2798 -1.1993 -1.1859 -1.1442 -1.1300 -1.0027 -0.9889 -0.7769 -0.7656 -0.6344 -0.6336 -0.4742 -0.4735 -0.3810 -0.3557 1.1818 1.2060 6.2316 6.2487 7.5564 7.6823 8.2797 8.3835 9.0426 9.0726 9.4086 9.4633 k =-0.0930 0.0617 0.0000 ( 5440 PWs) bands (ev): -21.1675 -21.1665 -20.8569 -20.8556 -20.3209 -20.3208 -20.2148 -20.2147 -20.1936 -20.1910 -19.9500 -19.9500 -6.8402 -6.8349 -5.2498 -5.2313 -3.8210 -3.8087 -3.6916 -3.6867 -3.5824 -3.5436 -2.6395 -2.6079 -2.0803 -2.0779 -1.9889 -1.9867 -1.8353 -1.8325 -1.5831 -1.5818 -1.4277 -1.4264 -1.3007 -1.2991 -1.2086 -1.1943 -1.1486 -1.1354 -0.9956 -0.9813 -0.7585 -0.7449 -0.6291 -0.6285 -0.4726 -0.4717 -0.3579 -0.3297 1.1892 1.2167 6.2396 6.2596 7.5299 7.6716 8.2527 8.3716 9.0243 9.0594 9.3888 9.4424 k =-0.1047 0.0694 0.0000 ( 5446 PWs) bands (ev): -21.1644 -21.1634 -20.8551 -20.8536 -20.3202 -20.3202 -20.2186 -20.2185 -20.1956 -20.1928 -19.9504 -19.9504 -6.8605 -6.8547 -5.2831 -5.2637 -3.8145 -3.8012 -3.6800 -3.6744 -3.5498 -3.5080 -2.6310 -2.5964 -2.0775 -2.0746 -1.9929 -1.9905 -1.8431 -1.8399 -1.5846 -1.5832 -1.4292 -1.4277 -1.3222 -1.3194 -1.2174 -1.2025 -1.1506 -1.1384 -0.9892 -0.9744 -0.7425 -0.7271 -0.6232 -0.6230 -0.4708 -0.4697 -0.3310 -0.3003 1.1977 1.2284 6.2486 6.2718 7.5017 7.6582 8.2228 8.3565 9.0037 9.0440 9.3644 9.4100 k =-0.1163 0.0772 0.0000 ( 5434 PWs) bands (ev): -21.1610 -21.1599 -20.8531 -20.8515 -20.3195 -20.3194 -20.2227 -20.2225 -20.1979 -20.1950 -19.9509 -19.9509 -6.8823 -6.8761 -5.3180 -5.2978 -3.8091 -3.7953 -3.6670 -3.6599 -3.5142 -3.4704 -2.6206 -2.5833 -2.0746 -2.0712 -1.9976 -1.9950 -1.8516 -1.8481 -1.5864 -1.5849 -1.4307 -1.4290 -1.3435 -1.3396 -1.2256 -1.2102 -1.1510 -1.1397 -0.9834 -0.9683 -0.7287 -0.7120 -0.6170 -0.6168 -0.4687 -0.4673 -0.3003 -0.2677 1.2074 1.2411 6.2586 6.2852 7.4720 7.6423 8.1898 8.3380 8.9809 9.0263 9.3279 9.3651 k =-0.1279 0.0849 0.0000 ( 5432 PWs) bands (ev): -21.1573 -21.1561 -20.8509 -20.8491 -20.3187 -20.3186 -20.2271 -20.2268 -20.2006 -20.1975 -19.9514 -19.9514 -6.9056 -6.8991 -5.3539 -5.3334 -3.8048 -3.7911 -3.6529 -3.6434 -3.4762 -3.4313 -2.6082 -2.5687 -2.0717 -2.0679 -2.0031 -2.0002 -1.8607 -1.8567 -1.5886 -1.5869 -1.4325 -1.4305 -1.3637 -1.3591 -1.2331 -1.2173 -1.1502 -1.1397 -0.9783 -0.9629 -0.7170 -0.6996 -0.6108 -0.6100 -0.4664 -0.4646 -0.2662 -0.2323 1.2183 1.2549 6.2694 6.2997 7.4410 7.6239 8.1539 8.3160 8.9559 9.0064 9.2734 9.3141 k =-0.1395 0.0926 0.0000 ( 5422 PWs) bands (ev): -21.1533 -21.1519 -20.8485 -20.8466 -20.3178 -20.3178 -20.2318 -20.2314 -20.2035 -20.2003 -19.9520 -19.9520 -6.9302 -6.9233 -5.3907 -5.3700 -3.8017 -3.7884 -3.6379 -3.6256 -3.4363 -3.3910 -2.5937 -2.5523 -2.0691 -2.0648 -2.0092 -2.0063 -1.8702 -1.8659 -1.5912 -1.5894 -1.4343 -1.4321 -1.3825 -1.3774 -1.2400 -1.2237 -1.1487 -1.1389 -0.9741 -0.9584 -0.7071 -0.6894 -0.6044 -0.6028 -0.4639 -0.4616 -0.2293 -0.1944 1.2303 1.2697 6.2809 6.3153 7.4090 7.6030 8.1152 8.2903 8.9285 8.9840 9.2101 9.2627 k =-0.1512 0.1003 0.0000 ( 5422 PWs) bands (ev): -21.1490 -21.1475 -20.8459 -20.8439 -20.3169 -20.3169 -20.2367 -20.2361 -20.2068 -20.2034 -19.9526 -19.9526 -6.9558 -6.9487 -5.4280 -5.4072 -3.7995 -3.7869 -3.6223 -3.6071 -3.3947 -3.3496 -2.5769 -2.5343 -2.0669 -2.0622 -2.0158 -2.0129 -1.8801 -1.8753 -1.5942 -1.5923 -1.4363 -1.4339 -1.3994 -1.3942 -1.2460 -1.2294 -1.1468 -1.1375 -0.9706 -0.9547 -0.6988 -0.6812 -0.5979 -0.5955 -0.4610 -0.4583 -0.1900 -0.1545 1.2433 1.2853 6.2931 6.3320 7.3763 7.5798 8.0739 8.2608 8.8985 8.9591 9.1471 9.2137 k =-0.1628 0.1080 0.0000 ( 5420 PWs) bands (ev): -21.1444 -21.1428 -20.8432 -20.8411 -20.3160 -20.3159 -20.2418 -20.2411 -20.2104 -20.2068 -19.9533 -19.9532 -6.9822 -6.9749 -5.4655 -5.4448 -3.7982 -3.7863 -3.6065 -3.5886 -3.3518 -3.3073 -2.5580 -2.5146 -2.0657 -2.0608 -2.0225 -2.0200 -1.8902 -1.8848 -1.5976 -1.5956 -1.4384 -1.4360 -1.4141 -1.4091 -1.2513 -1.2343 -1.1445 -1.1358 -0.9679 -0.9519 -0.6919 -0.6747 -0.5914 -0.5881 -0.4579 -0.4546 -0.1486 -0.1128 1.2573 1.3018 6.3058 6.3497 7.3430 7.5544 8.0302 8.2275 8.8654 8.9317 9.0885 9.1681 k =-0.1744 0.1157 0.0000 ( 5412 PWs) bands (ev): -21.1395 -21.1379 -20.8403 -20.8381 -20.3150 -20.3149 -20.2470 -20.2462 -20.2142 -20.2105 -19.9539 -19.9539 -7.0093 -7.0019 -5.5031 -5.4826 -3.7975 -3.7864 -3.5908 -3.5705 -3.3078 -3.2644 -2.5368 -2.4931 -2.0660 -2.0616 -2.0284 -2.0270 -1.9002 -1.8943 -1.6014 -1.5993 -1.4406 -1.4387 -1.4262 -1.4220 -1.2557 -1.2384 -1.1421 -1.1339 -0.9660 -0.9498 -0.6862 -0.6695 -0.5850 -0.5807 -0.4545 -0.4505 -0.1056 -0.0697 1.2723 1.3191 6.3188 6.3683 7.3096 7.5269 7.9844 8.1905 8.8293 8.9021 9.0357 9.1261 k =-0.1860 0.1234 0.0000 ( 5412 PWs) bands (ev): -21.1344 -21.1327 -20.8373 -20.8349 -20.3140 -20.3139 -20.2524 -20.2515 -20.2183 -20.2145 -19.9546 -19.9546 -7.0369 -7.0294 -5.5404 -5.5202 -3.7975 -3.7870 -3.5757 -3.5532 -3.2630 -3.2208 -2.5136 -2.4701 -2.0688 -2.0657 -2.0331 -2.0325 -1.9099 -1.9034 -1.6055 -1.6033 -1.4434 -1.4431 -1.4343 -1.4328 -1.2593 -1.2417 -1.1397 -1.1319 -0.9648 -0.9485 -0.6815 -0.6655 -0.5788 -0.5735 -0.4507 -0.4460 -0.0614 -0.0255 1.2882 1.3372 6.3320 6.3877 7.2764 7.4976 7.9370 8.1500 8.7902 8.8704 8.9893 9.0877 k =-0.1977 0.1312 0.0000 ( 5412 PWs) bands (ev): -21.1291 -21.1273 -20.8341 -20.8316 -20.3130 -20.3128 -20.2580 -20.2569 -20.2226 -20.2188 -19.9554 -19.9553 -7.0648 -7.0573 -5.5773 -5.5576 -3.7979 -3.7881 -3.5612 -3.5370 -3.2176 -3.1768 -2.4883 -2.4455 -2.0747 -2.0734 -2.0379 -2.0349 -1.9190 -1.9119 -1.6098 -1.6075 -1.4503 -1.4463 -1.4412 -1.4382 -1.2620 -1.2442 -1.1374 -1.1300 -0.9643 -0.9479 -0.6776 -0.6625 -0.5729 -0.5665 -0.4466 -0.4412 -0.0162 0.0195 1.3049 1.3558 6.3452 6.4078 7.2438 7.4665 7.8883 8.1062 8.7489 8.8371 8.9489 9.0523 k =-0.2093 0.1389 0.0000 ( 5400 PWs) bands (ev): -21.1235 -21.1216 -20.8308 -20.8282 -20.3119 -20.3117 -20.2637 -20.2624 -20.2272 -20.2233 -19.9561 -19.9561 -7.0929 -7.0854 -5.6137 -5.5945 -3.7986 -3.7895 -3.5476 -3.5222 -3.1716 -3.1325 -2.4612 -2.4196 -2.0838 -2.0836 -2.0417 -2.0365 -1.9271 -1.9194 -1.6143 -1.6118 -1.4570 -1.4513 -1.4459 -1.4407 -1.2640 -1.2459 -1.1353 -1.1282 -0.9645 -0.9479 -0.6745 -0.6604 -0.5672 -0.5598 -0.4422 -0.4361 0.0297 0.0651 1.3224 1.3751 6.3581 6.4286 7.2121 7.4340 7.8386 8.0595 8.7067 8.8028 8.9136 9.0195 k =-0.2209 0.1466 0.0000 ( 5402 PWs) bands (ev): -21.1178 -21.1158 -20.8274 -20.8247 -20.3109 -20.3106 -20.2694 -20.2679 -20.2320 -20.2281 -19.9569 -19.9569 -7.1210 -7.1135 -5.6494 -5.6307 -3.7996 -3.7911 -3.5351 -3.5088 -3.1255 -3.0880 -2.4325 -2.3924 -2.0959 -2.0947 -2.0454 -2.0387 -1.9338 -1.9257 -1.6188 -1.6161 -1.4624 -1.4565 -1.4488 -1.4428 -1.2651 -1.2468 -1.1335 -1.1267 -0.9653 -0.9486 -0.6721 -0.6589 -0.5618 -0.5535 -0.4374 -0.4307 0.0760 0.1110 1.3405 1.3947 6.3705 6.4500 7.1818 7.4002 7.7884 8.0102 8.6646 8.7678 8.8820 8.9887 k =-0.2326 0.1543 0.0000 ( 5402 PWs) bands (ev): -21.1119 -21.1099 -20.8238 -20.8212 -20.3100 -20.3095 -20.2752 -20.2735 -20.2370 -20.2330 -19.9577 -19.9577 -7.1489 -7.1415 -5.6843 -5.6662 -3.8009 -3.7929 -3.5236 -3.4970 -3.0792 -3.0433 -2.4024 -2.3643 -2.1091 -2.1073 -2.0497 -2.0421 -1.9389 -1.9306 -1.6233 -1.6203 -1.4667 -1.4608 -1.4513 -1.4447 -1.2654 -1.2468 -1.1320 -1.1255 -0.9667 -0.9499 -0.6703 -0.6581 -0.5568 -0.5477 -0.4323 -0.4251 0.1226 0.1571 1.3593 1.4147 6.3821 6.4717 7.1533 7.3655 7.7381 7.9588 8.6236 8.7325 8.8533 8.9595 k =-0.2442 0.1620 0.0000 ( 5410 PWs) bands (ev): -21.1058 -21.1038 -20.8202 -20.8175 -20.3091 -20.3084 -20.2810 -20.2790 -20.2422 -20.2382 -19.9585 -19.9584 -7.1765 -7.1693 -5.7182 -5.7009 -3.8023 -3.7948 -3.5132 -3.4866 -3.0331 -2.9989 -2.3712 -2.3353 -2.1230 -2.1208 -2.0551 -2.0470 -1.9421 -1.9340 -1.6275 -1.6241 -1.4699 -1.4639 -1.4537 -1.4465 -1.2649 -1.2461 -1.1310 -1.1247 -0.9686 -0.9518 -0.6690 -0.6578 -0.5521 -0.5422 -0.4270 -0.4193 0.1692 0.2032 1.3785 1.4350 6.3928 6.4937 7.1271 7.3301 7.6878 7.9059 8.5843 8.6974 8.8267 8.9315 k =-0.2558 0.1697 0.0000 ( 5398 PWs) bands (ev): -21.0997 -21.0976 -20.8166 -20.8138 -20.3084 -20.3073 -20.2868 -20.2843 -20.2475 -20.2435 -19.9593 -19.9593 -7.2038 -7.1967 -5.7512 -5.7345 -3.8038 -3.7969 -3.5039 -3.4776 -2.9873 -2.9547 -2.3391 -2.3056 -2.1373 -2.1348 -2.0617 -2.0536 -1.9436 -1.9358 -1.6316 -1.6277 -1.4721 -1.4660 -1.4561 -1.4481 -1.2636 -1.2447 -1.1304 -1.1243 -0.9711 -0.9541 -0.6682 -0.6579 -0.5477 -0.5372 -0.4215 -0.4134 0.2157 0.2491 1.3982 1.4554 6.4022 6.5157 7.1035 7.2943 7.6380 7.8518 8.5470 8.6626 8.8017 8.9045 k =-0.2674 0.1775 0.0000 ( 5394 PWs) bands (ev): -21.0934 -21.0913 -20.8129 -20.8101 -20.3080 -20.3062 -20.2925 -20.2892 -20.2529 -20.2490 -19.9601 -19.9601 -7.2305 -7.2235 -5.7830 -5.7671 -3.8055 -3.7989 -3.4957 -3.4699 -2.9420 -2.9110 -2.3065 -2.2756 -2.1517 -2.1490 -2.0693 -2.0615 -1.9435 -1.9364 -1.6353 -1.6309 -1.4737 -1.4673 -1.4583 -1.4495 -1.2616 -1.2425 -1.1304 -1.1245 -0.9740 -0.9570 -0.6678 -0.6585 -0.5437 -0.5327 -0.4159 -0.4074 0.2618 0.2946 1.4181 1.4758 6.4100 6.5377 7.0829 7.2585 7.5888 7.7970 8.5121 8.6284 8.7778 8.8782 k =-0.2791 0.1852 0.0000 ( 5398 PWs) bands (ev): -21.0871 -21.0850 -20.8091 -20.8063 -20.3084 -20.3053 -20.2981 -20.2934 -20.2584 -20.2546 -19.9609 -19.9609 -7.2565 -7.2498 -5.8137 -5.7985 -3.8072 -3.8011 -3.4884 -3.4634 -2.8975 -2.8680 -2.2737 -2.2455 -2.1659 -2.1632 -2.0778 -2.0705 -1.9423 -1.9359 -1.6388 -1.6337 -1.4748 -1.4680 -1.4603 -1.4505 -1.2588 -1.2396 -1.1310 -1.1252 -0.9775 -0.9604 -0.6677 -0.6594 -0.5398 -0.5285 -0.4103 -0.4016 0.3074 0.3394 1.4383 1.4961 6.4163 6.5593 7.0657 7.2229 7.5405 7.7420 8.4795 8.5950 8.7550 8.8526 k =-0.2907 0.1929 0.0000 ( 5404 PWs) bands (ev): -21.0808 -21.0786 -20.8054 -20.8026 -20.3101 -20.3055 -20.3027 -20.2962 -20.2639 -20.2603 -19.9617 -19.9617 -7.2818 -7.2753 -5.8431 -5.8287 -3.8089 -3.8032 -3.4820 -3.4580 -2.8540 -2.8261 -2.2415 -2.2158 -2.1791 -2.1770 -2.0868 -2.0800 -1.9402 -1.9347 -1.6421 -1.6362 -1.4756 -1.4685 -1.4618 -1.4511 -1.2554 -1.2360 -1.1323 -1.1266 -0.9814 -0.9643 -0.6680 -0.6606 -0.5363 -0.5247 -0.4046 -0.3958 0.3523 0.3835 1.4584 1.5161 6.4208 6.5804 7.0520 7.1878 7.4932 7.6872 8.4493 8.5624 8.7330 8.8275 k =-0.3023 0.2006 0.0000 ( 5404 PWs) bands (ev): -21.0744 -21.0723 -20.8016 -20.7989 -20.3134 -20.3098 -20.3030 -20.2973 -20.2693 -20.2660 -19.9625 -19.9625 -7.3062 -7.3000 -5.8712 -5.8575 -3.8107 -3.8053 -3.4764 -3.4535 -2.8118 -2.7854 -2.2146 -2.1944 -2.1867 -2.1822 -2.0961 -2.0900 -1.9375 -1.9328 -1.6451 -1.6384 -1.4763 -1.4693 -1.4621 -1.4511 -1.2513 -1.2318 -1.1343 -1.1286 -0.9858 -0.9686 -0.6686 -0.6621 -0.5329 -0.5212 -0.3990 -0.3902 0.3964 0.4267 1.4786 1.5357 6.4235 6.6006 7.0419 7.1537 7.4472 7.6330 8.4216 8.5309 8.7118 8.8030 k =-0.3140 0.2083 0.0000 ( 5410 PWs) bands (ev): -21.0682 -21.0661 -20.7979 -20.7952 -20.3175 -20.3150 -20.3025 -20.2974 -20.2747 -20.2718 -19.9633 -19.9632 -7.3297 -7.3238 -5.8979 -5.8850 -3.8124 -3.8074 -3.4715 -3.4499 -2.7711 -2.7461 -2.2139 -2.2052 -2.1679 -2.1553 -2.1052 -2.1000 -1.9345 -1.9305 -1.6479 -1.6403 -1.4770 -1.4708 -1.4612 -1.4504 -1.2466 -1.2269 -1.1370 -1.1313 -0.9906 -0.9733 -0.6694 -0.6638 -0.5297 -0.5181 -0.3936 -0.3848 0.4394 0.4687 1.4985 1.5549 6.4248 6.6197 7.0354 7.1208 7.4026 7.5798 8.3962 8.5006 8.6914 8.7790 k =-0.3256 0.2160 0.0000 ( 5406 PWs) bands (ev): -21.0620 -21.0599 -20.7943 -20.7916 -20.3220 -20.3200 -20.3022 -20.2971 -20.2797 -20.2776 -19.9640 -19.9640 -7.3521 -7.3465 -5.9231 -5.9111 -3.8141 -3.8095 -3.4674 -3.4470 -2.7321 -2.7087 -2.2246 -2.2174 -2.1377 -2.1294 -2.1117 -2.1095 -1.9313 -1.9280 -1.6506 -1.6421 -1.4778 -1.4727 -1.4592 -1.4488 -1.2412 -1.2215 -1.1405 -1.1348 -0.9958 -0.9785 -0.6705 -0.6656 -0.5267 -0.5152 -0.3884 -0.3797 0.4812 0.5093 1.5182 1.5734 6.4249 6.6372 7.0323 7.0894 7.3595 7.5281 8.3731 8.4716 8.6718 8.7556 k =-0.3372 0.2238 0.0000 ( 5394 PWs) bands (ev): -21.0559 -21.0538 -20.7907 -20.7881 -20.3266 -20.3249 -20.3024 -20.2965 -20.2842 -20.2833 -19.9648 -19.9647 -7.3735 -7.3681 -5.9470 -5.9357 -3.8157 -3.8115 -3.4637 -3.4448 -2.6952 -2.6732 -2.2358 -2.2288 -2.1272 -2.1218 -2.1038 -2.0947 -1.9279 -1.9254 -1.6533 -1.6437 -1.4788 -1.4747 -1.4563 -1.4463 -1.2353 -1.2155 -1.1448 -1.1389 -1.0014 -0.9841 -0.6717 -0.6676 -0.5238 -0.5125 -0.3833 -0.3749 0.5215 0.5485 1.5375 1.5912 6.4240 6.6527 7.0320 7.0598 7.3180 7.4783 8.3522 8.4441 8.6530 8.7329 k =-0.3488 0.2315 0.0000 ( 5400 PWs) bands (ev): -21.0500 -21.0480 -20.7873 -20.7848 -20.3311 -20.3295 -20.3036 -20.2961 -20.2887 -20.2876 -19.9655 -19.9654 -7.3936 -7.3886 -5.9693 -5.9588 -3.8173 -3.8134 -3.4606 -3.4431 -2.6607 -2.6401 -2.2461 -2.2391 -2.1353 -2.1303 -2.0739 -2.0679 -1.9246 -1.9228 -1.6561 -1.6455 -1.4800 -1.4768 -1.4527 -1.4428 -1.2289 -1.2090 -1.1499 -1.1439 -1.0075 -0.9900 -0.6731 -0.6697 -0.5210 -0.5101 -0.3786 -0.3704 0.5602 0.5859 1.5562 1.6081 6.4228 6.6659 7.0323 7.0341 7.2784 7.4310 8.3335 8.4182 8.6351 8.7108 k =-0.3605 0.2392 0.0000 ( 5392 PWs) bands (ev): -21.0442 -21.0423 -20.7839 -20.7815 -20.3353 -20.3338 -20.3061 -20.2970 -20.2926 -20.2898 -19.9661 -19.9661 -7.4125 -7.4078 -5.9900 -5.9804 -3.8188 -3.8152 -3.4579 -3.4418 -2.6288 -2.6097 -2.2553 -2.2481 -2.1437 -2.1392 -2.0439 -2.0413 -1.9212 -1.9201 -1.6590 -1.6473 -1.4813 -1.4788 -1.4484 -1.4384 -1.2219 -1.2021 -1.1558 -1.1495 -1.0139 -0.9964 -0.6745 -0.6718 -0.5184 -0.5079 -0.3741 -0.3663 0.5972 0.6214 1.5743 1.6239 6.4217 6.6761 7.0071 7.0380 7.2410 7.3868 8.3169 8.3940 8.6182 8.6895 k =-0.3721 0.2469 0.0000 ( 5396 PWs) bands (ev): -21.0387 -21.0369 -20.7808 -20.7785 -20.3393 -20.3377 -20.3097 -20.3013 -20.2931 -20.2907 -19.9668 -19.9667 -7.4301 -7.4258 -6.0092 -6.0004 -3.8202 -3.8170 -3.4556 -3.4409 -2.5997 -2.5821 -2.2631 -2.2557 -2.1518 -2.1478 -2.0154 -2.0149 -1.9178 -1.9176 -1.6621 -1.6495 -1.4827 -1.4807 -1.4433 -1.4331 -1.2146 -1.1947 -1.1624 -1.1560 -1.0207 -1.0031 -0.6761 -0.6739 -0.5159 -0.5059 -0.3700 -0.3625 0.6321 0.6548 1.5916 1.6387 6.4212 6.6829 6.9842 7.0428 7.2061 7.3461 8.3022 8.3715 8.6023 8.6691 k =-0.3837 0.2546 0.0000 ( 5392 PWs) bands (ev): -21.0335 -21.0318 -20.7778 -20.7756 -20.3429 -20.3413 -20.3139 -20.3064 -20.2926 -20.2909 -19.9674 -19.9673 -7.4463 -7.4423 -6.0268 -6.0187 -3.8215 -3.8186 -3.4536 -3.4403 -2.5739 -2.5577 -2.2692 -2.2618 -2.1594 -2.1558 -1.9905 -1.9874 -1.9151 -1.9143 -1.6656 -1.6520 -1.4841 -1.4825 -1.4375 -1.4270 -1.2068 -1.1870 -1.1698 -1.1631 -1.0278 -1.0101 -0.6777 -0.6760 -0.5135 -0.5041 -0.3661 -0.3592 0.6649 0.6859 1.6081 1.6523 6.4218 6.6859 6.9639 7.0471 7.1748 7.3095 8.2894 8.3509 8.5877 8.6496 k =-0.3953 0.2623 0.0000 ( 5394 PWs) bands (ev): -21.0286 -21.0270 -20.7750 -20.7730 -20.3462 -20.3445 -20.3183 -20.3115 -20.2919 -20.2907 -19.9679 -19.9679 -7.4611 -7.4575 -6.0427 -6.0355 -3.8227 -3.8201 -3.4519 -3.4399 -2.5513 -2.5367 -2.2736 -2.2662 -2.1664 -2.1632 -1.9668 -1.9619 -1.9128 -1.9104 -1.6694 -1.6550 -1.4855 -1.4843 -1.4309 -1.4200 -1.1987 -1.1794 -1.1774 -1.1709 -1.0352 -1.0175 -0.6792 -0.6780 -0.5112 -0.5025 -0.3626 -0.3562 0.6953 0.7146 1.6237 1.6645 6.4237 6.6847 6.9462 7.0488 7.1488 7.2775 8.2784 8.3322 8.5745 8.6312 k =-0.4070 0.2700 0.0000 ( 5388 PWs) bands (ev): -21.0241 -21.0227 -20.7724 -20.7706 -20.3491 -20.3473 -20.3226 -20.3164 -20.2913 -20.2904 -19.9684 -19.9684 -7.4744 -7.4712 -6.0570 -6.0506 -3.8238 -3.8214 -3.4504 -3.4398 -2.5322 -2.5191 -2.2761 -2.2689 -2.1728 -2.1700 -1.9444 -1.9396 -1.9104 -1.9051 -1.6737 -1.6586 -1.4868 -1.4858 -1.4235 -1.4123 -1.1905 -1.1867 -1.1790 -1.1704 -1.0430 -1.0252 -0.6808 -0.6799 -0.5090 -0.5011 -0.3595 -0.3536 0.7232 0.7406 1.6381 1.6754 6.4275 6.6793 6.9310 7.0446 7.1312 7.2504 8.2691 8.3153 8.5626 8.6139 k =-0.4186 0.2778 0.0000 ( 5396 PWs) bands (ev): -21.0200 -21.0187 -20.7700 -20.7684 -20.3516 -20.3497 -20.3267 -20.3210 -20.2907 -20.2900 -19.9689 -19.9688 -7.4862 -7.4834 -6.0696 -6.0640 -3.8247 -3.8227 -3.4490 -3.4398 -2.5164 -2.5050 -2.2769 -2.2701 -2.1785 -2.1761 -1.9240 -1.9235 -1.9074 -1.8955 -1.6784 -1.6628 -1.4880 -1.4872 -1.4155 -1.4040 -1.1958 -1.1888 -1.1808 -1.1618 -1.0510 -1.0332 -0.6823 -0.6816 -0.5070 -0.4999 -0.3566 -0.3513 0.7484 0.7639 1.6514 1.6848 6.4332 6.6698 6.9185 7.0321 7.1239 7.2281 8.2613 8.3004 8.5523 8.5979 k =-0.4302 0.2855 0.0000 ( 5390 PWs) bands (ev): -21.0163 -21.0152 -20.7679 -20.7665 -20.3536 -20.3517 -20.3305 -20.3253 -20.2902 -20.2896 -19.9693 -19.9692 -7.4965 -7.4941 -6.0805 -6.0757 -3.8255 -3.8238 -3.4479 -3.4400 -2.5038 -2.4940 -2.2762 -2.2700 -2.1835 -2.1814 -1.9153 -1.9114 -1.8983 -1.8802 -1.6835 -1.6677 -1.4890 -1.4885 -1.4068 -1.3954 -1.2051 -1.1977 -1.1723 -1.1530 -1.0593 -1.0414 -0.6836 -0.6832 -0.5052 -0.4989 -0.3541 -0.3495 0.7708 0.7842 1.6635 1.6928 6.4412 6.6564 6.9086 7.0138 7.1245 7.2104 8.2550 8.2874 8.5436 8.5833 k =-0.4419 0.2932 0.0000 ( 5380 PWs) bands (ev): -21.0131 -21.0121 -20.7661 -20.7649 -20.3552 -20.3533 -20.3339 -20.3293 -20.2897 -20.2893 -19.9696 -19.9696 -7.5052 -7.5032 -6.0896 -6.0856 -3.8262 -3.8248 -3.4468 -3.4403 -2.4941 -2.4860 -2.2744 -2.2689 -2.1877 -2.1859 -1.9112 -1.9081 -1.8815 -1.8634 -1.6888 -1.6732 -1.4900 -1.4896 -1.3978 -1.3867 -1.2144 -1.2070 -1.1632 -1.1441 -1.0678 -1.0499 -0.6848 -0.6846 -0.5035 -0.4982 -0.3519 -0.3480 0.7902 0.8015 1.6743 1.6991 6.4515 6.6398 6.9016 6.9935 7.1289 7.1966 8.2501 8.2762 8.5367 8.5702 k =-0.4535 0.3009 0.0000 ( 5366 PWs) bands (ev): -21.0104 -21.0096 -20.7646 -20.7636 -20.3563 -20.3545 -20.3367 -20.3327 -20.2893 -20.2890 -19.9699 -19.9698 -7.5123 -7.5107 -6.0971 -6.0939 -3.8267 -3.8256 -3.4459 -3.4407 -2.4868 -2.4804 -2.2720 -2.2674 -2.1912 -2.1897 -1.9087 -1.9066 -1.8650 -1.8479 -1.6938 -1.6791 -1.4908 -1.4905 -1.3887 -1.3785 -1.2232 -1.2161 -1.1540 -1.1352 -1.0763 -1.0585 -0.6859 -0.6857 -0.5020 -0.4977 -0.3501 -0.3469 0.8064 0.8155 1.6837 1.7038 6.4640 6.6207 6.8976 6.9735 7.1349 7.1860 8.2466 8.2667 8.5316 8.5587 k =-0.4651 0.3086 0.0000 ( 5366 PWs) bands (ev): -21.0083 -21.0077 -20.7634 -20.7626 -20.3570 -20.3555 -20.3390 -20.3357 -20.2889 -20.2887 -19.9701 -19.9701 -7.5179 -7.5166 -6.1028 -6.1004 -3.8271 -3.8263 -3.4450 -3.4411 -2.4815 -2.4767 -2.2694 -2.2658 -2.1938 -2.1927 -1.9071 -1.9056 -1.8501 -1.8353 -1.6982 -1.6853 -1.4914 -1.4912 -1.3800 -1.3712 -1.2309 -1.2247 -1.1447 -1.1265 -1.0848 -1.0673 -0.6867 -0.6866 -0.5006 -0.4974 -0.3485 -0.3461 0.8194 0.8263 1.6917 1.7070 6.4789 6.5999 6.8967 6.9549 7.1413 7.1777 8.2443 8.2590 8.5283 8.5488 k =-0.4767 0.3163 0.0000 ( 5370 PWs) bands (ev): -21.0067 -21.0063 -20.7624 -20.7619 -20.3574 -20.3562 -20.3404 -20.3381 -20.2887 -20.2886 -19.9702 -19.9702 -7.5218 -7.5209 -6.1068 -6.1052 -3.8274 -3.8268 -3.4442 -3.4416 -2.4778 -2.4746 -2.2670 -2.2646 -2.1957 -2.1950 -1.9059 -1.9050 -1.8376 -1.8264 -1.7012 -1.6914 -1.4918 -1.4917 -1.3724 -1.3658 -1.2369 -1.2321 -1.1356 -1.1186 -1.0924 -1.0760 -0.6873 -0.6873 -0.4995 -0.4973 -0.3473 -0.3457 0.8291 0.8337 1.6982 1.7085 6.4958 6.5782 6.8990 6.9383 7.1476 7.1708 8.2433 8.2530 8.5270 8.5407 k =-0.4884 0.3241 0.0000 ( 5364 PWs) bands (ev): -21.0057 -21.0055 -20.7618 -20.7616 -20.3574 -20.3567 -20.3411 -20.3399 -20.2886 -20.2885 -19.9703 -19.9703 -7.5240 -7.5236 -6.1090 -6.1082 -3.8274 -3.8272 -3.4435 -3.4422 -2.4754 -2.4738 -2.2652 -2.2640 -2.1967 -2.1964 -1.9052 -1.9047 -1.8283 -1.8222 -1.7020 -1.6967 -1.4921 -1.4920 -1.3664 -1.3629 -1.2403 -1.2376 -1.1266 -1.1146 -1.0964 -1.0847 -0.6877 -0.6877 -0.4986 -0.4975 -0.3464 -0.3456 0.8354 0.8377 1.7032 1.7083 6.5146 6.5563 6.9044 6.9243 7.1535 7.1649 8.2437 8.2484 8.5276 8.5345 k =-0.5000 0.3318 0.0000 ( 5354 PWs) bands (ev): -21.0053 -21.0053 -20.7615 -20.7615 -20.3572 -20.3572 -20.3409 -20.3409 -20.2885 -20.2885 -19.9704 -19.9704 -7.5246 -7.5246 -6.1095 -6.1095 -3.8274 -3.8274 -3.4428 -3.4428 -2.4741 -2.4741 -2.2642 -2.2642 -2.1969 -2.1969 -1.9048 -1.9048 -1.8229 -1.8229 -1.7004 -1.7004 -1.4922 -1.4922 -1.3631 -1.3631 -1.2405 -1.2405 -1.1187 -1.1187 -1.0924 -1.0924 -0.6878 -0.6878 -0.4980 -0.4980 -0.3459 -0.3459 0.8383 0.8383 1.7065 1.7065 6.5349 6.5349 6.9129 6.9129 7.1592 7.1592 8.2453 8.2453 8.5301 8.5301 k =-0.5000 0.3318 0.0000 ( 5354 PWs) bands (ev): -21.0053 -21.0053 -20.7615 -20.7615 -20.3572 -20.3572 -20.3409 -20.3409 -20.2885 -20.2885 -19.9704 -19.9704 -7.5246 -7.5246 -6.1095 -6.1095 -3.8274 -3.8274 -3.4428 -3.4428 -2.4741 -2.4741 -2.2642 -2.2642 -2.1969 -2.1969 -1.9048 -1.9048 -1.8229 -1.8229 -1.7004 -1.7004 -1.4922 -1.4922 -1.3631 -1.3631 -1.2405 -1.2405 -1.1187 -1.1187 -1.0924 -1.0924 -0.6878 -0.6878 -0.4980 -0.4980 -0.3459 -0.3459 0.8383 0.8383 1.7065 1.7065 6.5349 6.5349 6.9129 6.9129 7.1592 7.1592 8.2453 8.2453 8.5301 8.5301 k =-0.4922 0.3435-0.0000 ( 5370 PWs) bands (ev): -21.0052 -21.0052 -20.7618 -20.7618 -20.3571 -20.3571 -20.3409 -20.3409 -20.2883 -20.2883 -19.9706 -19.9706 -7.5237 -7.5237 -6.1103 -6.1103 -3.8268 -3.8268 -3.4421 -3.4421 -2.4749 -2.4749 -2.2640 -2.2640 -2.1966 -2.1966 -1.9084 -1.9084 -1.8237 -1.8237 -1.7011 -1.7011 -1.4901 -1.4901 -1.3627 -1.3627 -1.2392 -1.2392 -1.1182 -1.1182 -1.0918 -1.0918 -0.6885 -0.6885 -0.4982 -0.4982 -0.3461 -0.3461 0.8381 0.8381 1.7054 1.7054 6.5357 6.5357 6.9135 6.9135 7.1605 7.1605 8.2460 8.2460 8.5290 8.5290 k =-0.4845 0.3552-0.0000 ( 5374 PWs) bands (ev): -21.0047 -21.0047 -20.7624 -20.7624 -20.3570 -20.3570 -20.3407 -20.3407 -20.2877 -20.2877 -19.9712 -19.9712 -7.5210 -7.5210 -6.1127 -6.1127 -3.8251 -3.8251 -3.4398 -3.4398 -2.4773 -2.4773 -2.2632 -2.2632 -2.1954 -2.1954 -1.9191 -1.9191 -1.8260 -1.8260 -1.7029 -1.7029 -1.4843 -1.4843 -1.3614 -1.3614 -1.2352 -1.2352 -1.1167 -1.1167 -1.0901 -1.0901 -0.6906 -0.6906 -0.4990 -0.4990 -0.3466 -0.3466 0.8375 0.8375 1.7021 1.7021 6.5382 6.5382 6.9153 6.9153 7.1643 7.1643 8.2481 8.2481 8.5257 8.5257 k =-0.4767 0.3669-0.0000 ( 5392 PWs) bands (ev): -21.0040 -21.0040 -20.7635 -20.7635 -20.3569 -20.3569 -20.3405 -20.3405 -20.2867 -20.2867 -19.9723 -19.9723 -7.5164 -7.5164 -6.1166 -6.1166 -3.8224 -3.8224 -3.4361 -3.4361 -2.4813 -2.4813 -2.2620 -2.2620 -2.1934 -2.1934 -1.9361 -1.9361 -1.8298 -1.8298 -1.7060 -1.7060 -1.4753 -1.4753 -1.3592 -1.3592 -1.2287 -1.2287 -1.1141 -1.1141 -1.0873 -1.0873 -0.6941 -0.6941 -0.5003 -0.5003 -0.3475 -0.3475 0.8365 0.8365 1.6965 1.6965 6.5423 6.5423 6.9184 6.9184 7.1706 7.1706 8.2513 8.2513 8.5205 8.5205 k =-0.4689 0.3786-0.0000 ( 5394 PWs) bands (ev): -21.0030 -21.0030 -20.7651 -20.7651 -20.3566 -20.3566 -20.3402 -20.3402 -20.2854 -20.2854 -19.9738 -19.9738 -7.5100 -7.5100 -6.1221 -6.1221 -3.8184 -3.8184 -3.4309 -3.4309 -2.4870 -2.4870 -2.2601 -2.2601 -2.1906 -2.1906 -1.9585 -1.9585 -1.8348 -1.8348 -1.7103 -1.7103 -1.4641 -1.4640 -1.3561 -1.3561 -1.2199 -1.2199 -1.1106 -1.1106 -1.0833 -1.0833 -0.6988 -0.6988 -0.5021 -0.5021 -0.3488 -0.3488 0.8351 0.8351 1.6886 1.6886 6.5478 6.5478 6.9228 6.9228 7.1796 7.1796 8.2556 8.2557 8.5133 8.5133 k =-0.4611 0.3903-0.0000 ( 5390 PWs) bands (ev): -21.0017 -21.0017 -20.7670 -20.7670 -20.3563 -20.3563 -20.3398 -20.3398 -20.2836 -20.2836 -19.9758 -19.9758 -7.5017 -7.5017 -6.1290 -6.1290 -3.8134 -3.8134 -3.4244 -3.4244 -2.4944 -2.4944 -2.2577 -2.2577 -2.1870 -2.1870 -1.9854 -1.9854 -1.8408 -1.8407 -1.7160 -1.7160 -1.4514 -1.4514 -1.3522 -1.3522 -1.2090 -1.2090 -1.1060 -1.1060 -1.0782 -1.0782 -0.7049 -0.7049 -0.5044 -0.5044 -0.3505 -0.3505 0.8333 0.8333 1.6786 1.6786 6.5546 6.5546 6.9287 6.9287 7.1911 7.1911 8.2608 8.2608 8.5045 8.5045 k =-0.4534 0.4021-0.0000 ( 5384 PWs) bands (ev): -21.0001 -21.0001 -20.7694 -20.7694 -20.3559 -20.3559 -20.3393 -20.3393 -20.2815 -20.2815 -19.9781 -19.9781 -7.4917 -7.4917 -6.1374 -6.1374 -3.8072 -3.8072 -3.4165 -3.4165 -2.5036 -2.5036 -2.2545 -2.2545 -2.1827 -2.1827 -2.0160 -2.0160 -1.8474 -1.8474 -1.7230 -1.7230 -1.4381 -1.4381 -1.3474 -1.3474 -1.1963 -1.1963 -1.1004 -1.1004 -1.0720 -1.0720 -0.7123 -0.7123 -0.5072 -0.5072 -0.3526 -0.3526 0.8312 0.8312 1.6663 1.6663 6.5625 6.5625 6.9362 6.9362 7.2053 7.2053 8.2663 8.2663 8.4944 8.4944 k =-0.4456 0.4138-0.0000 ( 5404 PWs) bands (ev): -20.9983 -20.9983 -20.7723 -20.7723 -20.3554 -20.3554 -20.3388 -20.3388 -20.2790 -20.2790 -19.9809 -19.9809 -7.4798 -7.4798 -6.1471 -6.1471 -3.7999 -3.7999 -3.4075 -3.4075 -2.5147 -2.5147 -2.2507 -2.2507 -2.1776 -2.1776 -2.0495 -2.0495 -1.8546 -1.8546 -1.7313 -1.7313 -1.4247 -1.4247 -1.3417 -1.3417 -1.1821 -1.1821 -1.0938 -1.0938 -1.0648 -1.0648 -0.7208 -0.7208 -0.5105 -0.5105 -0.3551 -0.3551 0.8288 0.8288 1.6518 1.6518 6.5712 6.5712 6.9455 6.9455 7.2220 7.2220 8.2717 8.2717 8.4835 8.4835 k =-0.4378 0.4255-0.0000 ( 5410 PWs) bands (ev): -20.9962 -20.9962 -20.7756 -20.7756 -20.3549 -20.3549 -20.3381 -20.3381 -20.2762 -20.2762 -19.9840 -19.9840 -7.4661 -7.4661 -6.1581 -6.1581 -3.7915 -3.7915 -3.3975 -3.3975 -2.5275 -2.5275 -2.2462 -2.2462 -2.1718 -2.1718 -2.0853 -2.0853 -1.8619 -1.8619 -1.7409 -1.7409 -1.4119 -1.4119 -1.3352 -1.3352 -1.1666 -1.1666 -1.0863 -1.0863 -1.0565 -1.0565 -0.7305 -0.7305 -0.5143 -0.5143 -0.3580 -0.3580 0.8261 0.8261 1.6351 1.6351 6.5806 6.5806 6.9568 6.9568 7.2413 7.2413 8.2761 8.2761 8.4728 8.4728 k =-0.4300 0.4372-0.0000 ( 5394 PWs) bands (ev): -20.9939 -20.9939 -20.7793 -20.7793 -20.3542 -20.3542 -20.3372 -20.3372 -20.2729 -20.2729 -19.9876 -19.9876 -7.4507 -7.4506 -6.1702 -6.1702 -3.7820 -3.7820 -3.3865 -3.3865 -2.5421 -2.5421 -2.2412 -2.2412 -2.1655 -2.1655 -2.1227 -2.1227 -1.8691 -1.8691 -1.7517 -1.7517 -1.3998 -1.3998 -1.3279 -1.3279 -1.1503 -1.1503 -1.0779 -1.0779 -1.0472 -1.0472 -0.7412 -0.7412 -0.5185 -0.5185 -0.3614 -0.3614 0.8232 0.8232 1.6162 1.6163 6.5904 6.5904 6.9703 6.9703 7.2629 7.2629 8.2784 8.2784 8.4632 8.4632 k =-0.4223 0.4489-0.0000 ( 5398 PWs) bands (ev): -20.9913 -20.9913 -20.7835 -20.7835 -20.3535 -20.3535 -20.3363 -20.3363 -20.2693 -20.2693 -19.9915 -19.9915 -7.4334 -7.4334 -6.1835 -6.1835 -3.7713 -3.7713 -3.3747 -3.3746 -2.5583 -2.5583 -2.2360 -2.2360 -2.1662 -2.1662 -2.1537 -2.1537 -1.8759 -1.8759 -1.7637 -1.7637 -1.3887 -1.3887 -1.3198 -1.3198 -1.1332 -1.1332 -1.0686 -1.0686 -1.0370 -1.0370 -0.7529 -0.7529 -0.5232 -0.5232 -0.3652 -0.3652 0.8201 0.8201 1.5952 1.5952 6.6004 6.6004 6.9862 6.9862 7.2869 7.2869 8.2772 8.2772 8.4562 8.4562 k =-0.4145 0.4606-0.0000 ( 5398 PWs) bands (ev): -20.9885 -20.9885 -20.7881 -20.7881 -20.3527 -20.3527 -20.3353 -20.3352 -20.2654 -20.2654 -19.9959 -19.9959 -7.4144 -7.4144 -6.1977 -6.1977 -3.7595 -3.7595 -3.3622 -3.3622 -2.5760 -2.5760 -2.2321 -2.2321 -2.2021 -2.2021 -2.1486 -2.1486 -1.8821 -1.8821 -1.7767 -1.7767 -1.3787 -1.3787 -1.3110 -1.3110 -1.1157 -1.1157 -1.0587 -1.0586 -1.0259 -1.0258 -0.7655 -0.7655 -0.5284 -0.5284 -0.3696 -0.3696 0.8169 0.8169 1.5720 1.5720 6.6105 6.6105 7.0046 7.0046 7.3129 7.3129 8.2713 8.2713 8.4531 8.4531 k =-0.4067 0.4724-0.0000 ( 5398 PWs) bands (ev): -20.9855 -20.9855 -20.7931 -20.7931 -20.3518 -20.3518 -20.3341 -20.3341 -20.2611 -20.2611 -20.0006 -20.0006 -7.3936 -7.3936 -6.2127 -6.2127 -3.7466 -3.7466 -3.3492 -3.3492 -2.5952 -2.5951 -2.2503 -2.2503 -2.2196 -2.2196 -2.1400 -2.1400 -1.8874 -1.8874 -1.7907 -1.7907 -1.3699 -1.3699 -1.3016 -1.3016 -1.0980 -1.0980 -1.0481 -1.0481 -1.0139 -1.0139 -0.7789 -0.7789 -0.5340 -0.5340 -0.3745 -0.3745 0.8136 0.8136 1.5468 1.5468 6.6206 6.6206 7.0254 7.0254 7.3408 7.3408 8.2599 8.2599 8.4545 8.4545 k =-0.3989 0.4841-0.0000 ( 5398 PWs) bands (ev): -20.9823 -20.9823 -20.7985 -20.7985 -20.3507 -20.3507 -20.3327 -20.3327 -20.2564 -20.2564 -20.0056 -20.0056 -7.3710 -7.3710 -6.2286 -6.2286 -3.7326 -3.7326 -3.3359 -3.3359 -2.6156 -2.6156 -2.2911 -2.2911 -2.2158 -2.2158 -2.1306 -2.1306 -1.8916 -1.8916 -1.8056 -1.8056 -1.3622 -1.3622 -1.2917 -1.2917 -1.0802 -1.0802 -1.0370 -1.0370 -1.0011 -1.0011 -0.7929 -0.7929 -0.5400 -0.5400 -0.3799 -0.3799 0.8102 0.8102 1.5194 1.5194 6.6307 6.6307 7.0487 7.0487 7.3703 7.3703 8.2431 8.2431 8.4604 8.4604 k =-0.3912 0.4958-0.0000 ( 5402 PWs) bands (ev): -20.9789 -20.9789 -20.8044 -20.8044 -20.3496 -20.3496 -20.3313 -20.3313 -20.2515 -20.2515 -20.0110 -20.0110 -7.3467 -7.3467 -6.2451 -6.2451 -3.7175 -3.7175 -3.3225 -3.3225 -2.6371 -2.6371 -2.3342 -2.3341 -2.2109 -2.2109 -2.1205 -2.1205 -1.8945 -1.8945 -1.8210 -1.8210 -1.3556 -1.3556 -1.2813 -1.2813 -1.0626 -1.0626 -1.0256 -1.0256 -0.9876 -0.9876 -0.8074 -0.8074 -0.5465 -0.5465 -0.3859 -0.3859 0.8069 0.8069 1.4900 1.4900 6.6409 6.6409 7.0742 7.0742 7.4010 7.4011 8.2218 8.2218 8.4699 8.4699 k =-0.3834 0.5075-0.0000 ( 5406 PWs) bands (ev): -20.9753 -20.9753 -20.8106 -20.8106 -20.3483 -20.3483 -20.3296 -20.3296 -20.2462 -20.2462 -20.0167 -20.0167 -7.3208 -7.3208 -6.2622 -6.2622 -3.7012 -3.7012 -3.3091 -3.3091 -2.6596 -2.6596 -2.3780 -2.3780 -2.2065 -2.2065 -2.1097 -2.1097 -1.8961 -1.8960 -1.8368 -1.8368 -1.3501 -1.3501 -1.2707 -1.2707 -1.0453 -1.0453 -1.0140 -1.0140 -0.9734 -0.9734 -0.8223 -0.8223 -0.5533 -0.5533 -0.3925 -0.3925 0.8036 0.8036 1.4586 1.4586 6.6513 6.6513 7.1018 7.1018 7.4328 7.4328 8.1967 8.1967 8.4823 8.4823 k =-0.3756 0.5192-0.0000 ( 5406 PWs) bands (ev): -20.9716 -20.9716 -20.8173 -20.8173 -20.3470 -20.3470 -20.3279 -20.3279 -20.2406 -20.2406 -20.0228 -20.0228 -7.2931 -7.2931 -6.2797 -6.2797 -3.6839 -3.6839 -3.2958 -3.2958 -2.6830 -2.6830 -2.4223 -2.4223 -2.2031 -2.2031 -2.0983 -2.0983 -1.8965 -1.8964 -1.8522 -1.8522 -1.3456 -1.3456 -1.2601 -1.2601 -1.0284 -1.0284 -1.0022 -1.0022 -0.9586 -0.9586 -0.8373 -0.8373 -0.5605 -0.5605 -0.3997 -0.3997 0.8005 0.8005 1.4252 1.4253 6.6619 6.6619 7.1310 7.1310 7.4652 7.4652 8.1686 8.1686 8.4966 8.4966 k =-0.3678 0.5309-0.0000 ( 5414 PWs) bands (ev): -20.9678 -20.9678 -20.8243 -20.8243 -20.3455 -20.3455 -20.3260 -20.3260 -20.2348 -20.2348 -20.0291 -20.0291 -7.2637 -7.2637 -6.2977 -6.2976 -3.6654 -3.6654 -3.2829 -3.2829 -2.7071 -2.7071 -2.4669 -2.4669 -2.2010 -2.2010 -2.0863 -2.0863 -1.8974 -1.8974 -1.8652 -1.8652 -1.3420 -1.3420 -1.2495 -1.2495 -1.0120 -1.0120 -0.9904 -0.9904 -0.9434 -0.9434 -0.8523 -0.8523 -0.5680 -0.5680 -0.4075 -0.4075 0.7975 0.7976 1.3900 1.3900 6.6729 6.6729 7.1614 7.1614 7.4979 7.4979 8.1381 8.1381 8.5120 8.5120 k =-0.3601 0.5427-0.0000 ( 5410 PWs) bands (ev): -20.9638 -20.9638 -20.8318 -20.8318 -20.3438 -20.3438 -20.3239 -20.3239 -20.2286 -20.2286 -20.0357 -20.0357 -7.2327 -7.2327 -6.3158 -6.3158 -3.6459 -3.6459 -3.2706 -3.2706 -2.7317 -2.7317 -2.5117 -2.5117 -2.2004 -2.2004 -2.0738 -2.0738 -1.9036 -1.9036 -1.8709 -1.8709 -1.3392 -1.3392 -1.2394 -1.2394 -0.9964 -0.9964 -0.9787 -0.9787 -0.9279 -0.9279 -0.8669 -0.8669 -0.5759 -0.5759 -0.4160 -0.4160 0.7949 0.7949 1.3530 1.3530 6.6845 6.6845 7.1924 7.1924 7.5306 7.5306 8.1055 8.1055 8.5278 8.5279 k =-0.3601 0.5427-0.0000 ( 5410 PWs) bands (ev): -20.9638 -20.9638 -20.8318 -20.8318 -20.3438 -20.3438 -20.3239 -20.3239 -20.2286 -20.2286 -20.0357 -20.0357 -7.2327 -7.2327 -6.3158 -6.3158 -3.6459 -3.6459 -3.2706 -3.2706 -2.7317 -2.7317 -2.5117 -2.5117 -2.2004 -2.2004 -2.0738 -2.0738 -1.9036 -1.9036 -1.8709 -1.8709 -1.3392 -1.3392 -1.2394 -1.2394 -0.9964 -0.9964 -0.9787 -0.9787 -0.9279 -0.9279 -0.8669 -0.8669 -0.5759 -0.5759 -0.4160 -0.4160 0.7949 0.7949 1.3530 1.3530 6.6845 6.6845 7.1924 7.1924 7.5306 7.5306 8.1055 8.1055 8.5278 8.5279 k =-0.3601 0.5427 0.0140 ( 5412 PWs) bands (ev): -20.9637 -20.9637 -20.8319 -20.8319 -20.3440 -20.3437 -20.3247 -20.3239 -20.2285 -20.2276 -20.0360 -20.0357 -7.2318 -7.2316 -6.3174 -6.3169 -3.6482 -3.6461 -3.2683 -3.2664 -2.7390 -2.7295 -2.5195 -2.5070 -2.2008 -2.1969 -2.0751 -2.0733 -1.9029 -1.9023 -1.8712 -1.8685 -1.3404 -1.3390 -1.2411 -1.2396 -1.0052 -1.0046 -0.9705 -0.9698 -0.9282 -0.9266 -0.8682 -0.8653 -0.5767 -0.5756 -0.4167 -0.4164 0.7954 0.7971 1.3521 1.3544 6.6720 6.6969 7.1892 7.1940 7.5161 7.5390 8.0712 8.1250 8.5309 8.5329 k =-0.3601 0.5427 0.0280 ( 5404 PWs) bands (ev): -20.9632 -20.9631 -20.8324 -20.8324 -20.3444 -20.3438 -20.3262 -20.3246 -20.2271 -20.2253 -20.0365 -20.0360 -7.2289 -7.2284 -6.3216 -6.3205 -3.6527 -3.6486 -3.2598 -3.2560 -2.7511 -2.7327 -2.5294 -2.5056 -2.1980 -2.1908 -2.0773 -2.0737 -1.9000 -1.8992 -1.8692 -1.8641 -1.3426 -1.3396 -1.2447 -1.2418 -1.0189 -1.0181 -0.9571 -0.9559 -0.9276 -0.9244 -0.8693 -0.8636 -0.5779 -0.5759 -0.4185 -0.4178 0.7986 0.8021 1.3518 1.3564 6.6593 6.7090 7.1843 7.1939 7.4959 7.5412 8.0260 8.1266 8.5416 8.5468 k =-0.3601 0.5427 0.0420 ( 5406 PWs) bands (ev): -20.9624 -20.9623 -20.8332 -20.8332 -20.3449 -20.3440 -20.3283 -20.3261 -20.2246 -20.2221 -20.0374 -20.0367 -7.2239 -7.2232 -6.3284 -6.3268 -3.6588 -3.6530 -3.2455 -3.2401 -2.7678 -2.7419 -2.5401 -2.5072 -2.1925 -2.1828 -2.0800 -2.0748 -1.8952 -1.8946 -1.8649 -1.8580 -1.3455 -1.3412 -1.2501 -1.2458 -1.0329 -1.0321 -0.9438 -0.9415 -0.9265 -0.9209 -0.8699 -0.8615 -0.5795 -0.5766 -0.4213 -0.4203 0.8046 0.8098 1.3520 1.3589 6.6466 6.7210 7.1778 7.1921 7.4710 7.5378 7.9735 8.1104 8.5610 8.5699 k =-0.3601 0.5427 0.0561 ( 5403 PWs) bands (ev): -20.9613 -20.9611 -20.8344 -20.8343 -20.3456 -20.3444 -20.3308 -20.3281 -20.2211 -20.2180 -20.0385 -20.0376 -7.2169 -7.2160 -6.3377 -6.3357 -3.6657 -3.6585 -3.2262 -3.2196 -2.7888 -2.7573 -2.5504 -2.5111 -2.1852 -2.1737 -2.0833 -2.0766 -1.8888 -1.8886 -1.8581 -1.8502 -1.3492 -1.3435 -1.2571 -1.2515 -1.0466 -1.0459 -0.9324 -0.9277 -0.9246 -0.9156 -0.8697 -0.8589 -0.5816 -0.5777 -0.4251 -0.4238 0.8132 0.8201 1.3526 1.3617 6.6339 6.7326 7.1696 7.1887 7.4426 7.5298 7.9164 8.0796 8.5894 8.6013 k =-0.3601 0.5427 0.0701 ( 5405 PWs) bands (ev): -20.9598 -20.9597 -20.8358 -20.8358 -20.3464 -20.3449 -20.3336 -20.3306 -20.2168 -20.2132 -20.0400 -20.0388 -7.2079 -7.2068 -6.3495 -6.3470 -3.6727 -3.6641 -3.2030 -3.1952 -2.8138 -2.7787 -2.5594 -2.5165 -2.1768 -2.1643 -2.0869 -2.0790 -1.8823 -1.8805 -1.8493 -1.8411 -1.3535 -1.3465 -1.2655 -1.2586 -1.0598 -1.0592 -0.9256 -0.9244 -0.9128 -0.9067 -0.8683 -0.8556 -0.5841 -0.5793 -0.4299 -0.4283 0.8243 0.8329 1.3535 1.3648 6.6213 6.7440 7.1600 7.1837 7.4121 7.5183 7.8567 8.0385 8.6258 8.6396 k =-0.3601 0.5427 0.0841 ( 5406 PWs) bands (ev): -20.9581 -20.9579 -20.8376 -20.8375 -20.3474 -20.3455 -20.3366 -20.3333 -20.2118 -20.2077 -20.0417 -20.0403 -7.1970 -7.1957 -6.3637 -6.3608 -3.6789 -3.6693 -3.1766 -3.1680 -2.8425 -2.8056 -2.5670 -2.5227 -2.1680 -2.1551 -2.0907 -2.0817 -1.8751 -1.8714 -1.8388 -1.8308 -1.3582 -1.3500 -1.2749 -1.2668 -1.0723 -1.0717 -0.9239 -0.9233 -0.8992 -0.8951 -0.8650 -0.8514 -0.5868 -0.5811 -0.4357 -0.4338 0.8378 0.8481 1.3545 1.3678 6.6091 6.7552 7.1490 7.1772 7.3806 7.5042 7.7959 7.9907 8.6682 8.6834 k =-0.3601 0.5427 0.0981 ( 5403 PWs) bands (ev): -20.9560 -20.9558 -20.8397 -20.8396 -20.3485 -20.3462 -20.3396 -20.3362 -20.2062 -20.2018 -20.0437 -20.0421 -7.1842 -7.1826 -6.3802 -6.3769 -3.6839 -3.6732 -3.1478 -3.1384 -2.8743 -2.8370 -2.5732 -2.5294 -2.1594 -2.1465 -2.0945 -2.0846 -1.8673 -1.8615 -1.8273 -1.8197 -1.3631 -1.3538 -1.2851 -1.2760 -1.0839 -1.0835 -0.9244 -0.9238 -0.8859 -0.8831 -0.8596 -0.8462 -0.5897 -0.5833 -0.4423 -0.4401 0.8536 0.8655 1.3554 1.3706 6.5975 6.7659 7.1368 7.1691 7.3492 7.4883 7.7353 7.9389 8.7150 8.7313 k =-0.3601 0.5427 0.1121 ( 5405 PWs) bands (ev): -20.9536 -20.9534 -20.8420 -20.8419 -20.3499 -20.3471 -20.3424 -20.3391 -20.2002 -20.1956 -20.0460 -20.0442 -7.1694 -7.1676 -6.3990 -6.3953 -3.6871 -3.6756 -3.1174 -3.1074 -2.9088 -2.8719 -2.5785 -2.5362 -2.1514 -2.1386 -2.0983 -2.0875 -1.8591 -1.8512 -1.8154 -1.8082 -1.3679 -1.3576 -1.2960 -1.2859 -1.0944 -1.0943 -0.9265 -0.9262 -0.8732 -0.8715 -0.8522 -0.8400 -0.5928 -0.5856 -0.4496 -0.4472 0.8715 0.8851 1.3559 1.3730 6.5868 6.7763 7.1238 7.1592 7.3189 7.4713 7.6762 7.8848 8.7648 8.7820 k =-0.3601 0.5427 0.1261 ( 5392 PWs) bands (ev): -20.9510 -20.9507 -20.8447 -20.8446 -20.3514 -20.3480 -20.3450 -20.3420 -20.1938 -20.1891 -20.0486 -20.0466 -7.1529 -7.1508 -6.4198 -6.4159 -3.6882 -3.6758 -3.0861 -3.0755 -2.9453 -2.9093 -2.5833 -2.5431 -2.1441 -2.1318 -2.1018 -2.0902 -1.8505 -1.8407 -1.8038 -1.7967 -1.3725 -1.3614 -1.3071 -1.2962 -1.1039 -1.1037 -0.9310 -0.9294 -0.8610 -0.8604 -0.8433 -0.8328 -0.5959 -0.5881 -0.4577 -0.4551 0.8913 0.9065 1.3559 1.3746 6.5772 6.7861 7.1103 7.1473 7.2903 7.4533 7.6199 7.8298 8.8163 8.8342 k =-0.3601 0.5427 0.1401 ( 5400 PWs) bands (ev): -20.9481 -20.9478 -20.8476 -20.8475 -20.3531 -20.3491 -20.3473 -20.3447 -20.1873 -20.1824 -20.0515 -20.0493 -7.1345 -7.1323 -6.4426 -6.4384 -3.6869 -3.6737 -3.0549 -3.0441 -2.9823 -2.9479 -2.5879 -2.5502 -2.1377 -2.1261 -2.1049 -2.0925 -1.8417 -1.8302 -1.7929 -1.7857 -1.3766 -1.3648 -1.3184 -1.3066 -1.1123 -1.1116 -0.9370 -0.9338 -0.8498 -0.8493 -0.8335 -0.8250 -0.5989 -0.5906 -0.4664 -0.4636 0.9128 0.9296 1.3550 1.3753 6.5691 6.7954 7.0966 7.1330 7.2638 7.4343 7.5681 7.7747 8.8686 8.8869 k =-0.3601 0.5427 0.1541 ( 5398 PWs) bands (ev): -20.9449 -20.9446 -20.8508 -20.8507 -20.3549 -20.3502 -20.3494 -20.3472 -20.1805 -20.1756 -20.0547 -20.0523 -7.1145 -7.1120 -6.4672 -6.4628 -3.6830 -3.6690 -3.0330 -3.0287 -3.0001 -2.9825 -2.5926 -2.5576 -2.1324 -2.1217 -2.1075 -2.0941 -1.8329 -1.8199 -1.7832 -1.7756 -1.3802 -1.3678 -1.3296 -1.3169 -1.1192 -1.1179 -0.9443 -0.9396 -0.8396 -0.8382 -0.8234 -0.8168 -0.6018 -0.5930 -0.4757 -0.4727 0.9358 0.9541 1.3532 1.3748 6.5629 6.8042 7.0831 7.1157 7.2400 7.4139 7.5225 7.7202 8.9207 8.9392 k =-0.3601 0.5427 0.1682 ( 5394 PWs) bands (ev): -20.9415 -20.9412 -20.8543 -20.8541 -20.3568 -20.3515 -20.3512 -20.3494 -20.1736 -20.1687 -20.0582 -20.0555 -7.0928 -7.0901 -6.4935 -6.4888 -3.6764 -3.6616 -3.0685 -3.0418 -2.9788 -2.9722 -2.5978 -2.5653 -2.1282 -2.1188 -2.1094 -2.0947 -1.8241 -1.8099 -1.7749 -1.7666 -1.3832 -1.3704 -1.3403 -1.3268 -1.1245 -1.1225 -0.9527 -0.9466 -0.8296 -0.8277 -0.8134 -0.8084 -0.6043 -0.5953 -0.4854 -0.4823 0.9600 0.9799 1.3501 1.3729 6.5589 6.8123 7.0700 7.0946 7.2192 7.3919 7.4847 7.6669 8.9719 8.9902 k =-0.3601 0.5427 0.1822 ( 5397 PWs) bands (ev): -20.9379 -20.9375 -20.8580 -20.8578 -20.3586 -20.3529 -20.3528 -20.3512 -20.1667 -20.1617 -20.0619 -20.0590 -7.0696 -7.0667 -6.5212 -6.5164 -3.6670 -3.6514 -3.1091 -3.0811 -2.9500 -2.9401 -2.6035 -2.5735 -2.1254 -2.1173 -2.1104 -2.0945 -1.8155 -1.8003 -1.7682 -1.7590 -1.3856 -1.3726 -1.3506 -1.3362 -1.1279 -1.1251 -0.9621 -0.9547 -0.8198 -0.8177 -0.8037 -0.8000 -0.6065 -0.5973 -0.4954 -0.4922 0.9851 1.0066 1.3455 1.3693 6.5573 6.8199 7.0571 7.0692 7.2021 7.3692 7.4552 7.6152 9.0214 9.0392 k =-0.3601 0.5427 0.1962 ( 5393 PWs) bands (ev): -20.9340 -20.9336 -20.8618 -20.8617 -20.3603 -20.3545 -20.3543 -20.3526 -20.1598 -20.1548 -20.0659 -20.0628 -7.0448 -7.0417 -6.5502 -6.5454 -3.6549 -3.6384 -3.1504 -3.1230 -2.9192 -2.9082 -2.6100 -2.5824 -2.1240 -2.1169 -2.1104 -2.0936 -1.8073 -1.7914 -1.7630 -1.7528 -1.3876 -1.3745 -1.3600 -1.3447 -1.1295 -1.1257 -0.9724 -0.9639 -0.8105 -0.8082 -0.7945 -0.7920 -0.6081 -0.5989 -0.5057 -0.5024 1.0110 1.0340 1.3394 1.3639 6.5586 6.8273 7.0393 7.0440 7.1893 7.3477 7.4325 7.5654 9.0687 9.0855 k =-0.3601 0.5427 0.2102 ( 5397 PWs) bands (ev): -20.9300 -20.9296 -20.8659 -20.8657 -20.3617 -20.3560 -20.3557 -20.3538 -20.1528 -20.1479 -20.0701 -20.0669 -7.0188 -7.0154 -6.5804 -6.5755 -3.6401 -3.6226 -3.1918 -3.1654 -2.8887 -2.8769 -2.6174 -2.5921 -2.1235 -2.1170 -2.1098 -2.0926 -1.7996 -1.7831 -1.7593 -1.7480 -1.3894 -1.3764 -1.3686 -1.3521 -1.1289 -1.1242 -0.9835 -0.9741 -0.8017 -0.7995 -0.7860 -0.7844 -0.6090 -0.6000 -0.5161 -0.5128 1.0373 1.0618 1.3316 1.3565 6.5627 6.8345 7.0054 7.0302 7.1813 7.3293 7.4148 7.5179 9.1131 9.1284 k =-0.3601 0.5427 0.2242 ( 5387 PWs) bands (ev): -20.9258 -20.9254 -20.8702 -20.8700 -20.3629 -20.3574 -20.3570 -20.3549 -20.1459 -20.1410 -20.0746 -20.0713 -6.9914 -6.9878 -6.6115 -6.6065 -3.6225 -3.6040 -3.2327 -3.2076 -2.8592 -2.8467 -2.6260 -2.6028 -2.1234 -2.1174 -2.1090 -2.0916 -1.7925 -1.7756 -1.7569 -1.7445 -1.3910 -1.3785 -1.3761 -1.3583 -1.1262 -1.1206 -0.9953 -0.9851 -0.7935 -0.7914 -0.7782 -0.7776 -0.6092 -0.6005 -0.5265 -0.5233 1.0636 1.0898 1.3220 1.3470 6.5699 6.8422 6.9688 7.0154 7.1787 7.3149 7.4004 7.4729 9.1540 9.1672 k =-0.3601 0.5427 0.2382 ( 5387 PWs) bands (ev): -20.9214 -20.9210 -20.8746 -20.8744 -20.3639 -20.3585 -20.3581 -20.3558 -20.1392 -20.1343 -20.0794 -20.0758 -6.9629 -6.9591 -6.6433 -6.6383 -3.6023 -3.5828 -3.2729 -3.2491 -2.8310 -2.8177 -2.6357 -2.6146 -2.1234 -2.1177 -2.1085 -2.0909 -1.7862 -1.7689 -1.7555 -1.7421 -1.3926 -1.3824 -1.3808 -1.3630 -1.1215 -1.1149 -1.0077 -0.9969 -0.7863 -0.7842 -0.7716 -0.7713 -0.6083 -0.6001 -0.5368 -0.5336 1.0898 1.1177 1.3107 1.3354 6.5801 6.8505 6.9310 6.9993 7.1815 7.3044 7.3886 7.4307 9.1909 9.2014 k =-0.3601 0.5427 0.2522 ( 5382 PWs) bands (ev): -20.9169 -20.9165 -20.8791 -20.8789 -20.3647 -20.3593 -20.3591 -20.3567 -20.1325 -20.1276 -20.0844 -20.0807 -6.9333 -6.9293 -6.6756 -6.6707 -3.5798 -3.5589 -3.3121 -3.2898 -2.8043 -2.7901 -2.6468 -2.6277 -2.1232 -2.1179 -2.1083 -2.0905 -1.7808 -1.7633 -1.7548 -1.7405 -1.3943 -1.3873 -1.3833 -1.3664 -1.1147 -1.1074 -1.0205 -1.0091 -0.7800 -0.7779 -0.7667 -0.7654 -0.6065 -0.5988 -0.5468 -0.5436 1.1153 1.1452 1.2977 1.3217 6.5929 6.8598 6.8937 6.9823 7.1892 7.2971 7.3789 7.3914 9.2234 9.2303 k =-0.3601 0.5427 0.2663 ( 5378 PWs) bands (ev): -20.9123 -20.9119 -20.8837 -20.8835 -20.3653 -20.3599 -20.3599 -20.3574 -20.1259 -20.1212 -20.0896 -20.0858 -6.9028 -6.8986 -6.7083 -6.7035 -3.5551 -3.5326 -3.3498 -3.3293 -2.7794 -2.7640 -2.6592 -2.6422 -2.1230 -2.1180 -2.1083 -2.0903 -1.7763 -1.7587 -1.7547 -1.7397 -1.3960 -1.3910 -1.3856 -1.3688 -1.1062 -1.0983 -1.0335 -1.0218 -0.7750 -0.7727 -0.7630 -0.7606 -0.6037 -0.5964 -0.5563 -0.5531 1.1396 1.1719 1.2833 1.3059 6.6076 6.8588 6.8704 6.9648 7.2015 7.2923 7.3552 7.3712 9.2510 9.2535 k =-0.3601 0.5427 0.2803 ( 5366 PWs) bands (ev): -20.9077 -20.9072 -20.8883 -20.8882 -20.3657 -20.3606 -20.3604 -20.3579 -20.1195 -20.1148 -20.0950 -20.0911 -6.8715 -6.8672 -6.7412 -6.7365 -3.5290 -3.5040 -3.3854 -3.3673 -2.7569 -2.7396 -2.6727 -2.6581 -2.1227 -2.1181 -2.1085 -2.0903 -1.7729 -1.7552 -1.7550 -1.7394 -1.3974 -1.3935 -1.3875 -1.3705 -1.0963 -1.0880 -1.0466 -1.0344 -0.7713 -0.7686 -0.7604 -0.7570 -0.6001 -0.5929 -0.5650 -0.5616 1.1619 1.1977 1.2683 1.2880 6.6225 6.8289 6.8823 6.9476 7.2176 7.2894 7.3222 7.3656 9.2705 9.2731 k =-0.3601 0.5427 0.2943 ( 5364 PWs) bands (ev): -20.9031 -20.9025 -20.8929 -20.8929 -20.3659 -20.3609 -20.3606 -20.3583 -20.1135 -20.1088 -20.1005 -20.0965 -6.8397 -6.8351 -6.7740 -6.7695 -3.5033 -3.4735 -3.4167 -3.4036 -2.7378 -2.7172 -2.6863 -2.6755 -2.1224 -2.1180 -2.1088 -2.0904 -1.7707 -1.7553 -1.7530 -1.7393 -1.3985 -1.3948 -1.3886 -1.3714 -1.0853 -1.0776 -1.0595 -1.0463 -0.7691 -0.7660 -0.7591 -0.7549 -0.5965 -0.5886 -0.5727 -0.5681 1.1799 1.2221 1.2547 1.2685 6.6346 6.8075 6.8949 6.9315 7.2366 7.2879 7.2932 7.3621 9.2809 9.2890 k =-0.3601 0.5427 0.3083 ( 5360 PWs) bands (ev): -20.8998 -20.8977 -20.8976 -20.8962 -20.3659 -20.3611 -20.3607 -20.3584 -20.1094 -20.1044 -20.1043 -20.1009 -6.8112 -6.8043 -6.8029 -6.8006 -3.4888 -3.4476 -3.4330 -3.4314 -2.7283 -2.7005 -2.6939 -2.6904 -2.1223 -2.1180 -2.1088 -2.0904 -1.7699 -1.7554 -1.7522 -1.7394 -1.3988 -1.3953 -1.3890 -1.3717 -1.0761 -1.0713 -1.0693 -1.0531 -0.7683 -0.7651 -0.7587 -0.7541 -0.5948 -0.5855 -0.5769 -0.5709 1.1878 1.2405 1.2483 1.2518 6.6395 6.7995 6.9034 6.9218 7.2510 7.2755 7.2875 7.3610 9.2843 9.2957 k =-0.3601 0.5427 0.3083 ( 5360 PWs) bands (ev): -20.8998 -20.8977 -20.8976 -20.8962 -20.3659 -20.3611 -20.3607 -20.3584 -20.1094 -20.1044 -20.1043 -20.1009 -6.8112 -6.8043 -6.8029 -6.8006 -3.4888 -3.4476 -3.4330 -3.4314 -2.7283 -2.7005 -2.6939 -2.6904 -2.1223 -2.1180 -2.1088 -2.0904 -1.7699 -1.7554 -1.7522 -1.7394 -1.3988 -1.3953 -1.3890 -1.3717 -1.0761 -1.0713 -1.0693 -1.0531 -0.7683 -0.7651 -0.7587 -0.7541 -0.5948 -0.5855 -0.5769 -0.5709 1.1878 1.2405 1.2483 1.2518 6.6395 6.7995 6.9034 6.9218 7.2510 7.2755 7.2875 7.3610 9.2843 9.2957 k =-0.3678 0.5309 0.3083 ( 5364 PWs) bands (ev): -20.8993 -20.8972 -20.8972 -20.8958 -20.3676 -20.3630 -20.3623 -20.3600 -20.1081 -20.1033 -20.1027 -20.0995 -6.8272 -6.8199 -6.8191 -6.8166 -3.4640 -3.4220 -3.4083 -3.4060 -2.7212 -2.6925 -2.6862 -2.6837 -2.1325 -2.1284 -2.1196 -2.1014 -1.7688 -1.7556 -1.7507 -1.7376 -1.4121 -1.4079 -1.4028 -1.3846 -1.0681 -1.0633 -1.0623 -1.0455 -0.7765 -0.7735 -0.7669 -0.7631 -0.5873 -0.5781 -0.5698 -0.5643 1.2022 1.2554 1.2608 1.2656 6.6467 6.8008 6.9122 6.9140 7.2329 7.2654 7.2772 7.3307 9.2849 9.2932 k =-0.3756 0.5192 0.3083 ( 5372 PWs) bands (ev): -20.8989 -20.8969 -20.8968 -20.8956 -20.3691 -20.3648 -20.3637 -20.3614 -20.1068 -20.1022 -20.1012 -20.0982 -6.8424 -6.8349 -6.8346 -6.8319 -3.4380 -3.3952 -3.3827 -3.3796 -2.7159 -2.6861 -2.6805 -2.6788 -2.1423 -2.1384 -2.1300 -2.1121 -1.7685 -1.7566 -1.7502 -1.7367 -1.4249 -1.4201 -1.4159 -1.3970 -1.0599 -1.0551 -1.0550 -1.0378 -0.7845 -0.7817 -0.7750 -0.7719 -0.5802 -0.5711 -0.5631 -0.5581 1.2160 1.2696 1.2725 1.2788 6.6531 6.8006 6.9016 6.9144 7.2230 7.2454 7.2845 7.3036 9.2745 9.2974 k =-0.3834 0.5075 0.3083 ( 5376 PWs) bands (ev): -20.8986 -20.8967 -20.8966 -20.8955 -20.3705 -20.3664 -20.3649 -20.3627 -20.1055 -20.1011 -20.0997 -20.0968 -6.8569 -6.8495 -6.8491 -6.8464 -3.4111 -3.3674 -3.3562 -3.3523 -2.7124 -2.6816 -2.6768 -2.6759 -2.1517 -2.1479 -2.1399 -2.1225 -1.7692 -1.7586 -1.7507 -1.7369 -1.4367 -1.4314 -1.4280 -1.4085 -1.0516 -1.0475 -1.0467 -1.0298 -0.7921 -0.7895 -0.7829 -0.7804 -0.5735 -0.5646 -0.5569 -0.5523 1.2293 1.2830 1.2834 1.2912 6.6586 6.7985 6.8856 6.9095 7.2220 7.2279 7.2800 7.2966 9.2647 9.2907 k =-0.3912 0.4958 0.3083 ( 5376 PWs) bands (ev): -20.8985 -20.8967 -20.8966 -20.8956 -20.3717 -20.3679 -20.3660 -20.3639 -20.1042 -20.1000 -20.0982 -20.0955 -6.8707 -6.8636 -6.8626 -6.8602 -3.3833 -3.3386 -3.3291 -3.3242 -2.7107 -2.6788 -2.6752 -2.6749 -2.1606 -2.1569 -2.1493 -2.1324 -1.7713 -1.7620 -1.7526 -1.7386 -1.4472 -1.4414 -1.4386 -1.4189 -1.0432 -1.0401 -1.0383 -1.0219 -0.7995 -0.7969 -0.7904 -0.7886 -0.5673 -0.5584 -0.5511 -0.5471 1.2419 1.2936 1.2956 1.3029 6.6628 6.7943 6.8673 6.8980 7.2130 7.2291 7.2600 7.3120 9.2552 9.2839 k =-0.3989 0.4841 0.3083 ( 5370 PWs) bands (ev): -20.8985 -20.8968 -20.8966 -20.8957 -20.3727 -20.3692 -20.3670 -20.3649 -20.1028 -20.0989 -20.0967 -20.0942 -6.8836 -6.8769 -6.8754 -6.8732 -3.3548 -3.3089 -3.3015 -3.2955 -2.7110 -2.6779 -2.6758 -2.6757 -2.1688 -2.1651 -2.1580 -2.1419 -1.7749 -1.7668 -1.7560 -1.7420 -1.4562 -1.4501 -1.4475 -1.4278 -1.0350 -1.0327 -1.0299 -1.0141 -0.8064 -0.8039 -0.7976 -0.7964 -0.5615 -0.5527 -0.5458 -0.5423 1.2540 1.3029 1.3074 1.3139 6.6657 6.7880 6.8475 6.8817 7.2008 7.2426 7.2438 7.3297 9.2463 9.2771 k =-0.4067 0.4724 0.3083 ( 5376 PWs) bands (ev): -20.8986 -20.8970 -20.8968 -20.8960 -20.3737 -20.3704 -20.3678 -20.3658 -20.1015 -20.0978 -20.0952 -20.0929 -6.8956 -6.8893 -6.8873 -6.8854 -3.3257 -3.2786 -3.2735 -3.2661 -2.7131 -2.6788 -2.6787 -2.6785 -2.1763 -2.1727 -2.1661 -2.1507 -1.7799 -1.7730 -1.7609 -1.7472 -1.4635 -1.4572 -1.4545 -1.4352 -1.0271 -1.0255 -1.0216 -1.0065 -0.8129 -0.8105 -0.8044 -0.8038 -0.5562 -0.5475 -0.5410 -0.5381 1.2654 1.3114 1.3184 1.3241 6.6671 6.7796 6.8272 6.8622 7.1915 7.2312 7.2608 7.3488 9.2378 9.2700 k =-0.4145 0.4606 0.3083 ( 5372 PWs) bands (ev): -20.8987 -20.8972 -20.8970 -20.8963 -20.3745 -20.3714 -20.3685 -20.3667 -20.1002 -20.0968 -20.0938 -20.0917 -6.9068 -6.9009 -6.8983 -6.8967 -3.2963 -3.2476 -3.2453 -3.2364 -2.7173 -2.6835 -2.6835 -2.6815 -2.1830 -2.1795 -2.1734 -2.1589 -1.7863 -1.7806 -1.7671 -1.7540 -1.4691 -1.4627 -1.4595 -1.4410 -1.0194 -1.0185 -1.0136 -0.9992 -0.8190 -0.8166 -0.8108 -0.8108 -0.5514 -0.5428 -0.5367 -0.5344 1.2763 1.3190 1.3286 1.3335 6.6672 6.7694 6.8070 6.8411 7.1849 7.2218 7.2820 7.3684 9.2298 9.2629 k =-0.4223 0.4489 0.3083 ( 5380 PWs) bands (ev): -20.8989 -20.8975 -20.8973 -20.8967 -20.3751 -20.3724 -20.3692 -20.3674 -20.0990 -20.0958 -20.0924 -20.0906 -6.9171 -6.9117 -6.9085 -6.9071 -3.2667 -3.2172 -3.2163 -3.2064 -2.7234 -2.6908 -2.6901 -2.6860 -2.1889 -2.1854 -2.1800 -2.1664 -1.7939 -1.7894 -1.7746 -1.7622 -1.4730 -1.4668 -1.4627 -1.4452 -1.0122 -1.0118 -1.0059 -0.9922 -0.8246 -0.8222 -0.8174 -0.8167 -0.5469 -0.5384 -0.5329 -0.5311 1.2864 1.3259 1.3379 1.3422 6.6661 6.7578 6.7874 6.8196 7.1808 7.2154 7.3048 7.3879 9.2224 9.2556 k =-0.4300 0.4372 0.3083 ( 5376 PWs) bands (ev): -20.8991 -20.8978 -20.8976 -20.8972 -20.3757 -20.3733 -20.3697 -20.3681 -20.0978 -20.0949 -20.0912 -20.0895 -6.9264 -6.9215 -6.9178 -6.9166 -3.2370 -3.1894 -3.1846 -3.1762 -2.7314 -2.7002 -2.6984 -2.6922 -2.1939 -2.1904 -2.1858 -2.1731 -1.8024 -1.7989 -1.7830 -1.7716 -1.4754 -1.4695 -1.4642 -1.4481 -1.0054 -1.0053 -0.9986 -0.9858 -0.8298 -0.8273 -0.8234 -0.8221 -0.5429 -0.5346 -0.5295 -0.5284 1.2959 1.3319 1.3464 1.3501 6.6641 6.7452 6.7689 6.7985 7.1790 7.2113 7.3283 7.4066 9.2156 9.2483 k =-0.4378 0.4255 0.3083 ( 5376 PWs) bands (ev): -20.8994 -20.8982 -20.8980 -20.8976 -20.3762 -20.3740 -20.3701 -20.3686 -20.0967 -20.0941 -20.0900 -20.0885 -6.9348 -6.9304 -6.9262 -6.9252 -3.2076 -3.1621 -3.1529 -3.1461 -2.7412 -2.7118 -2.7081 -2.6999 -2.1982 -2.1947 -2.1909 -2.1791 -1.8115 -1.8089 -1.7919 -1.7816 -1.4766 -1.4711 -1.4644 -1.4499 -0.9995 -0.9990 -0.9917 -0.9799 -0.8344 -0.8319 -0.8290 -0.8271 -0.5393 -0.5311 -0.5266 -0.5261 1.3046 1.3370 1.3540 1.3571 6.6614 6.7322 6.7518 6.7784 7.1791 7.2089 7.3518 7.4241 9.2095 9.2409 k =-0.4456 0.4138 0.3083 ( 5368 PWs) bands (ev): -20.8996 -20.8985 -20.8983 -20.8981 -20.3766 -20.3747 -20.3704 -20.3691 -20.0957 -20.0934 -20.0889 -20.0876 -6.9422 -6.9383 -6.9337 -6.9328 -3.1788 -3.1358 -3.1214 -3.1163 -2.7528 -2.7254 -2.7190 -2.7091 -2.2017 -2.1981 -2.1952 -2.1843 -1.8207 -1.8190 -1.8009 -1.7918 -1.4769 -1.4719 -1.4636 -1.4508 -0.9941 -0.9933 -0.9853 -0.9745 -0.8386 -0.8360 -0.8340 -0.8316 -0.5360 -0.5281 -0.5243 -0.5241 1.3127 1.3413 1.3608 1.3634 6.6584 6.7192 6.7363 6.7597 7.1807 7.2079 7.3745 7.4399 9.2042 9.2336 k =-0.4534 0.4021 0.3083 ( 5378 PWs) bands (ev): -20.8998 -20.8988 -20.8987 -20.8985 -20.3769 -20.3753 -20.3707 -20.3696 -20.0947 -20.0927 -20.0879 -20.0868 -6.9486 -6.9452 -6.9401 -6.9394 -3.1508 -3.1110 -3.0903 -3.0870 -2.7661 -2.7409 -2.7308 -2.7195 -2.2044 -2.2007 -2.1988 -2.1889 -1.8298 -1.8286 -1.8097 -1.8019 -1.4765 -1.4720 -1.4621 -1.4511 -0.9892 -0.9882 -0.9794 -0.9699 -0.8422 -0.8395 -0.8384 -0.8355 -0.5331 -0.5255 -0.5229 -0.5220 1.3200 1.3448 1.3667 1.3688 6.6555 6.7066 6.7227 6.7429 7.1834 7.2076 7.3960 7.4537 9.1997 9.2265 k =-0.4611 0.3903 0.3083 ( 5382 PWs) bands (ev): -20.9000 -20.8991 -20.8990 -20.8989 -20.3771 -20.3758 -20.3709 -20.3700 -20.0939 -20.0922 -20.0871 -20.0861 -6.9540 -6.9512 -6.9457 -6.9451 -3.1242 -3.0881 -3.0600 -3.0585 -2.7807 -2.7579 -2.7428 -2.7307 -2.2065 -2.2026 -2.2017 -2.1927 -1.8381 -1.8375 -1.8177 -1.8112 -1.4756 -1.4718 -1.4602 -1.4510 -0.9848 -0.9838 -0.9742 -0.9660 -0.8454 -0.8424 -0.8423 -0.8390 -0.5306 -0.5233 -0.5219 -0.5203 1.3265 1.3473 1.3717 1.3734 6.6529 6.6949 6.7112 6.7280 7.1868 7.2076 7.4158 7.4651 9.1962 9.2196 k =-0.4689 0.3786 0.3083 ( 5378 PWs) bands (ev): -20.9002 -20.8993 -20.8993 -20.8992 -20.3773 -20.3762 -20.3711 -20.3703 -20.0931 -20.0918 -20.0864 -20.0856 -6.9584 -6.9561 -6.9502 -6.9497 -3.0995 -3.0681 -3.0313 -3.0311 -2.7962 -2.7762 -2.7543 -2.7422 -2.2079 -2.2041 -2.2038 -2.1959 -1.8455 -1.8452 -1.8247 -1.8195 -1.4745 -1.4714 -1.4582 -1.4508 -0.9812 -0.9802 -0.9697 -0.9630 -0.8479 -0.8455 -0.8448 -0.8419 -0.5283 -0.5214 -0.5213 -0.5191 1.3323 1.3491 1.3759 1.3772 6.6511 6.6842 6.7019 6.7153 7.1905 7.2077 7.4336 7.4738 9.1938 9.2133 k =-0.4767 0.3669 0.3083 ( 5370 PWs) bands (ev): -20.9003 -20.8996 -20.8995 -20.8995 -20.3773 -20.3765 -20.3711 -20.3706 -20.0925 -20.0915 -20.0858 -20.0852 -6.9618 -6.9600 -6.9537 -6.9533 -3.0774 -3.0519 -3.0060 -3.0043 -2.8117 -2.7951 -2.7644 -2.7534 -2.2089 -2.2060 -2.2045 -2.1986 -1.8516 -1.8515 -1.8304 -1.8265 -1.4734 -1.4710 -1.4562 -1.4507 -0.9782 -0.9774 -0.9659 -0.9607 -0.8499 -0.8481 -0.8465 -0.8443 -0.5264 -0.5211 -0.5199 -0.5181 1.3373 1.3499 1.3791 1.3801 6.6503 6.6748 6.6949 6.7050 7.1943 7.2074 7.4490 7.4796 9.1924 9.2075 k =-0.4845 0.3552 0.3083 ( 5374 PWs) bands (ev): -20.9003 -20.8999 -20.8997 -20.8996 -20.3774 -20.3768 -20.3712 -20.3708 -20.0920 -20.0914 -20.0853 -20.0849 -6.9641 -6.9629 -6.9562 -6.9559 -3.0589 -3.0407 -2.9839 -2.9814 -2.8259 -2.8133 -2.7719 -2.7635 -2.2093 -2.2074 -2.2046 -2.2007 -1.8562 -1.8562 -1.8344 -1.8318 -1.4724 -1.4708 -1.4544 -1.4508 -0.9759 -0.9753 -0.9629 -0.9594 -0.8512 -0.8501 -0.8476 -0.8461 -0.5248 -0.5212 -0.5188 -0.5176 1.3415 1.3499 1.3815 1.3821 6.6507 6.6669 6.6903 6.6970 7.1979 7.2068 7.4617 7.4824 9.1922 9.2025 k =-0.4922 0.3435 0.3083 ( 5376 PWs) bands (ev): -20.9003 -20.9001 -20.8998 -20.8997 -20.3773 -20.3771 -20.3712 -20.3710 -20.0917 -20.0913 -20.0850 -20.0848 -6.9654 -6.9648 -6.9576 -6.9575 -3.0451 -3.0355 -2.9674 -2.9653 -2.8357 -2.8286 -2.7759 -2.7712 -2.2094 -2.2084 -2.2043 -2.2023 -1.8591 -1.8591 -1.8367 -1.8354 -1.4715 -1.4707 -1.4529 -1.4511 -0.9745 -0.9742 -0.9607 -0.9589 -0.8519 -0.8514 -0.8482 -0.8474 -0.5234 -0.5216 -0.5180 -0.5174 1.3449 1.3491 1.3830 1.3833 6.6524 6.6605 6.6882 6.6916 7.2010 7.2055 7.4715 7.4819 9.1932 9.1984 k =-0.5000 0.3318 0.3083 ( 5372 PWs) bands (ev): -20.9002 -20.9002 -20.8998 -20.8998 -20.3772 -20.3772 -20.3711 -20.3711 -20.0914 -20.0914 -20.0848 -20.0848 -6.9656 -6.9656 -6.9581 -6.9581 -3.0370 -3.0370 -2.9601 -2.9601 -2.8371 -2.8371 -2.7756 -2.7756 -2.2091 -2.2091 -2.2035 -2.2035 -1.8600 -1.8600 -1.8370 -1.8370 -1.4710 -1.4710 -1.4518 -1.4518 -0.9739 -0.9739 -0.9593 -0.9593 -0.8520 -0.8520 -0.8481 -0.8481 -0.5224 -0.5224 -0.5175 -0.5175 1.3474 1.3474 1.3836 1.3836 6.6557 6.6557 6.6886 6.6886 7.2036 7.2036 7.4783 7.4783 9.1953 9.1953 k =-0.5000 0.3318 0.3083 ( 5372 PWs) bands (ev): -20.9002 -20.9002 -20.8998 -20.8998 -20.3772 -20.3772 -20.3711 -20.3711 -20.0914 -20.0914 -20.0848 -20.0848 -6.9656 -6.9656 -6.9581 -6.9581 -3.0370 -3.0370 -2.9601 -2.9601 -2.8371 -2.8371 -2.7756 -2.7756 -2.2091 -2.2091 -2.2035 -2.2035 -1.8600 -1.8600 -1.8370 -1.8370 -1.4710 -1.4710 -1.4518 -1.4518 -0.9739 -0.9739 -0.9593 -0.9593 -0.8520 -0.8520 -0.8481 -0.8481 -0.5224 -0.5224 -0.5175 -0.5175 1.3474 1.3474 1.3836 1.3836 6.6557 6.6557 6.6886 6.6886 7.2036 7.2036 7.4783 7.4783 9.1953 9.1953 k =-0.5000 0.3318 0.2943 ( 5376 PWs) bands (ev): -20.9085 -20.9081 -20.8917 -20.8913 -20.3781 -20.3762 -20.3717 -20.3704 -20.1014 -20.0945 -20.0817 -20.0754 -7.0115 -7.0043 -6.9184 -6.9107 -3.0801 -3.0009 -2.9944 -2.9202 -2.8922 -2.8268 -2.7816 -2.7243 -2.2101 -2.2082 -2.2052 -2.2019 -1.8753 -1.8514 -1.8438 -1.8217 -1.4818 -1.4624 -1.4598 -1.4409 -0.9860 -0.9674 -0.9645 -0.9536 -0.8673 -0.8661 -0.8377 -0.8288 -0.5311 -0.5245 -0.5130 -0.5096 1.3142 1.3493 1.3798 1.4170 6.6257 6.6797 6.6857 6.6986 7.1733 7.2377 7.4252 7.5342 9.1644 9.2208 k =-0.5000 0.3318 0.2803 ( 5370 PWs) bands (ev): -20.9167 -20.9162 -20.8831 -20.8827 -20.3789 -20.3751 -20.3721 -20.3696 -20.1116 -20.1045 -20.0723 -20.0662 -7.0561 -7.0491 -6.8702 -6.8623 -3.1235 -3.0423 -2.9531 -2.9474 -2.8798 -2.8769 -2.7262 -2.6733 -2.2110 -2.2073 -2.2070 -2.2004 -1.8894 -1.8646 -1.8270 -1.8056 -1.4919 -1.4724 -1.4482 -1.4297 -1.0008 -0.9783 -0.9578 -0.9501 -0.8858 -0.8798 -0.8233 -0.8098 -0.5389 -0.5305 -0.5029 -0.5009 1.2806 1.3144 1.4112 1.4492 6.5964 6.6717 6.7096 6.7153 7.1466 7.2760 7.3749 7.5924 9.1285 9.2409 k =-0.5000 0.3318 0.2663 ( 5374 PWs) bands (ev): -20.9246 -20.9241 -20.8744 -20.8741 -20.3796 -20.3739 -20.3724 -20.3688 -20.1221 -20.1147 -20.0631 -20.0574 -7.0991 -7.0924 -6.8210 -6.8129 -3.1672 -3.0849 -3.0005 -2.9356 -2.9032 -2.8407 -2.6714 -2.6227 -2.2120 -2.2088 -2.2064 -2.1990 -1.9021 -1.8764 -1.8098 -1.7891 -1.5011 -1.4817 -1.4365 -1.4184 -1.0182 -0.9923 -0.9536 -0.9484 -0.9033 -0.8930 -0.8091 -0.7916 -0.5456 -0.5353 -0.4924 -0.4915 1.2466 1.2790 1.4414 1.4801 6.5684 6.6649 6.7215 6.7441 7.1233 7.3183 7.3277 7.6529 9.0880 9.2553 k =-0.5000 0.3318 0.2522 ( 5372 PWs) bands (ev): -20.9323 -20.9318 -20.8657 -20.8654 -20.3800 -20.3727 -20.3725 -20.3679 -20.1327 -20.1250 -20.0543 -20.0489 -7.1406 -7.1341 -6.7711 -6.7629 -3.2111 -3.1295 -3.0509 -2.9808 -2.8666 -2.8024 -2.6173 -2.5730 -2.2129 -2.2106 -2.2056 -2.1976 -1.9133 -1.8865 -1.7925 -1.7725 -1.5092 -1.4899 -1.4248 -1.4071 -1.0379 -1.0094 -0.9518 -0.9485 -0.9193 -0.9060 -0.7954 -0.7743 -0.5512 -0.5389 -0.4816 -0.4816 1.2126 1.2436 1.4702 1.5093 6.5422 6.6590 6.7343 6.7716 7.1031 7.2837 7.3648 7.7154 9.0432 9.2570 k =-0.5000 0.3318 0.2382 ( 5366 PWs) bands (ev): -20.9396 -20.9391 -20.8570 -20.8567 -20.3803 -20.3724 -20.3714 -20.3669 -20.1434 -20.1355 -20.0459 -20.0407 -7.1803 -7.1742 -6.7206 -6.7123 -3.2554 -3.1769 -3.0974 -3.0286 -2.8271 -2.7650 -2.5641 -2.5242 -2.2137 -2.2125 -2.2048 -2.1964 -1.9225 -1.8948 -1.7756 -1.7561 -1.5159 -1.4969 -1.4133 -1.3960 -1.0595 -1.0295 -0.9522 -0.9503 -0.9339 -0.9188 -0.7823 -0.7583 -0.5554 -0.5411 -0.4713 -0.4705 1.1787 1.2082 1.4974 1.5368 6.5183 6.6541 6.7480 6.7976 7.0857 7.2431 7.4153 7.7796 8.9945 9.2043 k =-0.5000 0.3318 0.2242 ( 5376 PWs) bands (ev): -20.9467 -20.9462 -20.8483 -20.8481 -20.3803 -20.3722 -20.3701 -20.3660 -20.1542 -20.1461 -20.0378 -20.0329 -7.2181 -7.2123 -6.6699 -6.6616 -3.3001 -3.2272 -3.1396 -3.0750 -2.7885 -2.7289 -2.5120 -2.4766 -2.2143 -2.2142 -2.2040 -2.1952 -1.9298 -1.9012 -1.7594 -1.7405 -1.5207 -1.5021 -1.4020 -1.3851 -1.0828 -1.0521 -0.9546 -0.9541 -0.9472 -0.9315 -0.7702 -0.7438 -0.5581 -0.5420 -0.4608 -0.4593 1.1454 1.1733 1.5230 1.5624 6.4971 6.6500 6.7624 6.8219 7.0711 7.2061 7.4693 7.8452 8.9425 9.1481 k =-0.5000 0.3318 0.2102 ( 5382 PWs) bands (ev): -20.9535 -20.9530 -20.8397 -20.8395 -20.3801 -20.3716 -20.3688 -20.3650 -20.1652 -20.1568 -20.0301 -20.0255 -7.2541 -7.2486 -6.6191 -6.6108 -3.3451 -3.2797 -3.1778 -3.1194 -2.7512 -2.6945 -2.4612 -2.4307 -2.2158 -2.2144 -2.2032 -2.1941 -1.9347 -1.9054 -1.7444 -1.7261 -1.5232 -1.5053 -1.3913 -1.3746 -1.1074 -1.0764 -0.9625 -0.9591 -0.9568 -0.9442 -0.7591 -0.7310 -0.5593 -0.5417 -0.4501 -0.4482 1.1126 1.1390 1.5468 1.5858 6.4789 6.6467 6.7776 6.8444 7.0592 7.1729 7.5267 7.9119 8.8877 9.0889 k =-0.5000 0.3318 0.1962 ( 5378 PWs) bands (ev): -20.9599 -20.9594 -20.8312 -20.8312 -20.3796 -20.3708 -20.3675 -20.3640 -20.1761 -20.1675 -20.0228 -20.0185 -7.2881 -7.2830 -6.5686 -6.5603 -3.3904 -3.3332 -3.2125 -3.1613 -2.7157 -2.6620 -2.4122 -2.3869 -2.2170 -2.2136 -2.2022 -2.1930 -1.9372 -1.9074 -1.7312 -1.7134 -1.5231 -1.5058 -1.3812 -1.3646 -1.1330 -1.1020 -0.9747 -0.9657 -0.9636 -0.9566 -0.7490 -0.7200 -0.5588 -0.5402 -0.4395 -0.4371 1.0808 1.1055 1.5688 1.6072 6.4640 6.6439 6.7933 6.8649 7.0499 7.1438 7.5870 7.9794 8.8307 9.0272 k =-0.5000 0.3318 0.1822 ( 5374 PWs) bands (ev): -20.9659 -20.9655 -20.8230 -20.8230 -20.3789 -20.3698 -20.3663 -20.3631 -20.1871 -20.1783 -20.0160 -20.0120 -7.3200 -7.3152 -6.5185 -6.5103 -3.4360 -3.3869 -3.2445 -3.2004 -2.6823 -2.6317 -2.3657 -2.3465 -2.2173 -2.2112 -2.2007 -2.1919 -1.9371 -1.9072 -1.7202 -1.7029 -1.5199 -1.5034 -1.3722 -1.3554 -1.1592 -1.1281 -0.9875 -0.9750 -0.9712 -0.9679 -0.7400 -0.7109 -0.5568 -0.5376 -0.4289 -0.4262 1.0502 1.0732 1.5888 1.6263 6.4524 6.6412 6.8094 6.8831 7.0436 7.1191 7.6496 8.0474 8.7721 8.9636 k =-0.5000 0.3318 0.1682 ( 5372 PWs) bands (ev): -20.9716 -20.9712 -20.8151 -20.8150 -20.3778 -20.3684 -20.3650 -20.3622 -20.1980 -20.1890 -20.0095 -20.0058 -7.3498 -7.3453 -6.4694 -6.4614 -3.4814 -3.4401 -3.2739 -3.2366 -2.6511 -2.6038 -2.3232 -2.3118 -2.2155 -2.2071 -2.1965 -2.1902 -1.9344 -1.9048 -1.7117 -1.6949 -1.5134 -1.4978 -1.3646 -1.3473 -1.1855 -1.1541 -1.0004 -0.9871 -0.9799 -0.9782 -0.7320 -0.7035 -0.5533 -0.5342 -0.4186 -0.4157 1.0209 1.0422 1.6070 1.6431 6.4444 6.6386 6.8254 6.8987 7.0407 7.0991 7.7141 8.1154 8.7126 8.8988 k =-0.5000 0.3318 0.1541 ( 5376 PWs) bands (ev): -20.9769 -20.9765 -20.8075 -20.8074 -20.3764 -20.3667 -20.3638 -20.3613 -20.2088 -20.1996 -20.0036 -20.0002 -7.3774 -7.3733 -6.4215 -6.4137 -3.5263 -3.4920 -3.3010 -3.2697 -2.6225 -2.5787 -2.2885 -2.2862 -2.2096 -2.2041 -2.1864 -2.1830 -1.9291 -1.9004 -1.7056 -1.6896 -1.5039 -1.4891 -1.3591 -1.3410 -1.2112 -1.1791 -1.0135 -1.0004 -0.9896 -0.9885 -0.7250 -0.6978 -0.5486 -0.5302 -0.4086 -0.4056 0.9931 1.0128 1.6232 1.6578 6.4396 6.6355 6.8409 6.9111 7.0415 7.0843 7.7799 8.1831 8.6528 8.8333 k =-0.5000 0.3318 0.1401 ( 5380 PWs) bands (ev): -20.9817 -20.9813 -20.8003 -20.8002 -20.3746 -20.3647 -20.3626 -20.3605 -20.2194 -20.2101 -19.9980 -19.9950 -7.4027 -7.3990 -6.3753 -6.3678 -3.5704 -3.5421 -3.3257 -3.2999 -2.5964 -2.5564 -2.2716 -2.2674 -2.2027 -2.2010 -2.1733 -2.1583 -1.9215 -1.8942 -1.7018 -1.6866 -1.4916 -1.4777 -1.3568 -1.3376 -1.2346 -1.2019 -1.0266 -1.0141 -1.0002 -0.9995 -0.7189 -0.6934 -0.5431 -0.5258 -0.3990 -0.3960 0.9672 0.9851 1.6377 1.6703 6.4382 6.6318 6.8553 6.9200 7.0465 7.0752 7.8465 8.2500 8.5936 8.7680 k =-0.5000 0.3318 0.1261 ( 5376 PWs) bands (ev): -20.9862 -20.9858 -20.7935 -20.7934 -20.3725 -20.3623 -20.3614 -20.3597 -20.2298 -20.2204 -19.9930 -19.9902 -7.4258 -7.4224 -6.3311 -6.3240 -3.6129 -3.5898 -3.3482 -3.3269 -2.5732 -2.5370 -2.2648 -2.2588 -2.2019 -2.1970 -2.1449 -2.1264 -1.9116 -1.8866 -1.6997 -1.6855 -1.4771 -1.4642 -1.3592 -1.3398 -1.2533 -1.2208 -1.0398 -1.0280 -1.0115 -1.0112 -0.7135 -0.6902 -0.5370 -0.5211 -0.3899 -0.3870 0.9431 0.9593 1.6504 1.6807 6.4397 6.6271 6.8678 6.9255 7.0553 7.0722 7.9134 8.3154 8.5358 8.7037 k =-0.5000 0.3318 0.1121 ( 5374 PWs) bands (ev): -20.9901 -20.9898 -20.7872 -20.7871 -20.3701 -20.3603 -20.3597 -20.3589 -20.2400 -20.2305 -19.9884 -19.9860 -7.4465 -7.4435 -6.2895 -6.2829 -3.6532 -3.6347 -3.3683 -3.3510 -2.5527 -2.5205 -2.2621 -2.2565 -2.2012 -2.1957 -2.1095 -2.0914 -1.9000 -1.8780 -1.6988 -1.6857 -1.4613 -1.4493 -1.3675 -1.3502 -1.2641 -1.2343 -1.0528 -1.0418 -1.0234 -1.0233 -0.7088 -0.6880 -0.5308 -0.5165 -0.3815 -0.3787 0.9212 0.9357 1.6615 1.6893 6.4440 6.6213 6.8780 6.9282 7.0674 7.0752 7.9798 8.3786 8.4804 8.6415 k =-0.5000 0.3318 0.0981 ( 5376 PWs) bands (ev): -20.9937 -20.9934 -20.7815 -20.7813 -20.3673 -20.3591 -20.3585 -20.3565 -20.2497 -20.2403 -19.9844 -19.9822 -7.4648 -7.4622 -6.2510 -6.2450 -3.6909 -3.6761 -3.3862 -3.3722 -2.5349 -2.5067 -2.2615 -2.2566 -2.2007 -2.1952 -2.0729 -2.0558 -1.8871 -1.8689 -1.6989 -1.6870 -1.4447 -1.4336 -1.3820 -1.3685 -1.2671 -1.2418 -1.0655 -1.0554 -1.0355 -1.0355 -0.7047 -0.6864 -0.5246 -0.5120 -0.3737 -0.3712 0.9016 0.9143 1.6710 1.6961 6.4506 6.6142 6.8859 6.9288 7.0817 7.0835 8.0449 8.4282 8.4385 8.5827 k =-0.5000 0.3318 0.0841 ( 5372 PWs) bands (ev): -20.9968 -20.9965 -20.7764 -20.7762 -20.3645 -20.3580 -20.3578 -20.3533 -20.2589 -20.2497 -19.9808 -19.9790 -7.4808 -7.4785 -6.2161 -6.2107 -3.7251 -3.7135 -3.4017 -3.3905 -2.5197 -2.4956 -2.2618 -2.2577 -2.2001 -2.1950 -2.0373 -2.0211 -1.8736 -1.8598 -1.6994 -1.6888 -1.4280 -1.4179 -1.4010 -1.3911 -1.2653 -1.2446 -1.0777 -1.0686 -1.0477 -1.0475 -0.7012 -0.6855 -0.5187 -0.5080 -0.3668 -0.3645 0.8844 0.8953 1.6793 1.7012 6.4594 6.6059 6.8918 6.9280 7.0958 7.0971 8.1073 8.3806 8.4931 8.5291 k =-0.5000 0.3318 0.0701 ( 5370 PWs) bands (ev): -20.9994 -20.9992 -20.7720 -20.7718 -20.3619 -20.3576 -20.3559 -20.3499 -20.2675 -20.2586 -19.9778 -19.9762 -7.4943 -7.4924 -6.1854 -6.1807 -3.7553 -3.7464 -3.4147 -3.4060 -2.5069 -2.4869 -2.2624 -2.2591 -2.1996 -2.1951 -2.0040 -1.9883 -1.8601 -1.8512 -1.7001 -1.6909 -1.4229 -1.4151 -1.4114 -1.4029 -1.2614 -1.2444 -1.0891 -1.0811 -1.0593 -1.0592 -0.6980 -0.6850 -0.5134 -0.5044 -0.3608 -0.3588 0.8698 0.8789 1.6863 1.7049 6.4698 6.5963 6.8964 6.9264 7.1103 7.1126 8.1648 8.3385 8.4837 8.5398 k =-0.5000 0.3318 0.0561 ( 5366 PWs) bands (ev): -21.0015 -21.0013 -20.7683 -20.7682 -20.3600 -20.3572 -20.3533 -20.3465 -20.2752 -20.2669 -19.9752 -19.9740 -7.5053 -7.5038 -6.1592 -6.1554 -3.7810 -3.7743 -3.4254 -3.4187 -2.4964 -2.4804 -2.2631 -2.2605 -2.1990 -2.1953 -1.9738 -1.9588 -1.8473 -1.8434 -1.7008 -1.6931 -1.4441 -1.4383 -1.3967 -1.3893 -1.2566 -1.2429 -1.0993 -1.0926 -1.0700 -1.0699 -0.6953 -0.6850 -0.5087 -0.5015 -0.3557 -0.3540 0.8579 0.8652 1.6922 1.7073 6.4816 6.5856 6.9002 6.9242 7.1253 7.1274 8.2129 8.3032 8.4517 8.5741 k =-0.5000 0.3318 0.0420 ( 5374 PWs) bands (ev): -21.0032 -21.0031 -20.7654 -20.7653 -20.3588 -20.3570 -20.3499 -20.3435 -20.2816 -20.2744 -19.9732 -19.9723 -7.5139 -7.5128 -6.1382 -6.1352 -3.8014 -3.7967 -3.4335 -3.4288 -2.4880 -2.4761 -2.2638 -2.2618 -2.1985 -2.1957 -1.9478 -1.9339 -1.8366 -1.8363 -1.7014 -1.6952 -1.4636 -1.4592 -1.3836 -1.3778 -1.2516 -1.2410 -1.1078 -1.1026 -1.0792 -1.0791 -0.6930 -0.6852 -0.5047 -0.4994 -0.3516 -0.3503 0.8487 0.8541 1.6970 1.7085 6.4943 6.5739 6.9036 6.9216 7.1389 7.1403 8.2436 8.2757 8.4415 8.5906 k =-0.5000 0.3318 0.0280 ( 5362 PWs) bands (ev): -21.0044 -21.0043 -20.7633 -20.7632 -20.3580 -20.3570 -20.3463 -20.3412 -20.2863 -20.2808 -19.9717 -19.9711 -7.5200 -7.5192 -6.1227 -6.1207 -3.8162 -3.8132 -3.4392 -3.4361 -2.4815 -2.4736 -2.2642 -2.2629 -2.1980 -2.1960 -1.9269 -1.9157 -1.8307 -1.8280 -1.7016 -1.6972 -1.4793 -1.4762 -1.3733 -1.3692 -1.2470 -1.2396 -1.1142 -1.1107 -1.0863 -1.0862 -0.6910 -0.6858 -0.5016 -0.4980 -0.3486 -0.3477 0.8423 0.8460 1.7010 1.7088 6.5076 6.5615 6.9067 6.9188 7.1498 7.1505 8.2527 8.2569 8.4580 8.5863 k =-0.5000 0.3318 0.0140 ( 5364 PWs) bands (ev): -21.0051 -21.0050 -20.7620 -20.7619 -20.3575 -20.3570 -20.3431 -20.3402 -20.2887 -20.2857 -19.9708 -19.9705 -7.5236 -7.5232 -6.1131 -6.1121 -3.8249 -3.8235 -3.4423 -3.4408 -2.4769 -2.4730 -2.2643 -2.2637 -2.1974 -2.1965 -1.9122 -1.9057 -1.8258 -1.8234 -1.7013 -1.6990 -1.4892 -1.4876 -1.3662 -1.3641 -1.2432 -1.2394 -1.1180 -1.1162 -1.0909 -1.0908 -0.6892 -0.6867 -0.4993 -0.4976 -0.3467 -0.3462 0.8388 0.8407 1.7042 1.7081 6.5212 6.5484 6.9098 6.9159 7.1568 7.1570 8.2470 8.2493 8.4917 8.5640 k =-0.5000 0.3318 0.0000 ( 5354 PWs) bands (ev): -21.0053 -21.0053 -20.7615 -20.7615 -20.3572 -20.3572 -20.3409 -20.3409 -20.2885 -20.2885 -19.9704 -19.9704 -7.5246 -7.5246 -6.1095 -6.1095 -3.8274 -3.8274 -3.4428 -3.4428 -2.4741 -2.4741 -2.2642 -2.2642 -2.1969 -2.1969 -1.9048 -1.9048 -1.8229 -1.8229 -1.7004 -1.7004 -1.4922 -1.4922 -1.3631 -1.3631 -1.2405 -1.2405 -1.1187 -1.1187 -1.0924 -1.0924 -0.6878 -0.6878 -0.4980 -0.4980 -0.3459 -0.3459 0.8383 0.8383 1.7065 1.7065 6.5349 6.5349 6.9129 6.9129 7.1592 7.1592 8.2453 8.2453 8.5301 8.5301 k = 0.0000 0.0000 0.3083 ( 5410 PWs) bands (ev): -21.0487 -21.0487 -21.0478 -21.0478 -20.2374 -20.2374 -20.2290 -20.2290 -20.0730 -20.0730 -20.0636 -20.0636 -6.1544 -6.1544 -6.1456 -6.1456 -3.7645 -3.7645 -3.7391 -3.7391 -2.7939 -2.7939 -2.7378 -2.7378 -2.3320 -2.3320 -2.2875 -2.2875 -1.7554 -1.7554 -1.7385 -1.7385 -1.3702 -1.3702 -1.3486 -1.3486 -0.9727 -0.9727 -0.9712 -0.9712 -0.9484 -0.9484 -0.9420 -0.9420 -0.6977 -0.6977 -0.6966 -0.6966 0.4014 0.4014 0.4491 0.4491 6.9084 6.9084 7.3528 7.3528 8.2913 8.2913 8.6191 8.6191 9.6780 9.6780 k =-0.0116 0.0077 0.3083 ( 5414 PWs) bands (ev): -21.0485 -21.0485 -21.0476 -21.0476 -20.2375 -20.2375 -20.2291 -20.2291 -20.0730 -20.0730 -20.0636 -20.0636 -6.1560 -6.1560 -6.1471 -6.1471 -3.7629 -3.7629 -3.7372 -3.7372 -2.7939 -2.7939 -2.7378 -2.7378 -2.3320 -2.3320 -2.2876 -2.2876 -1.7555 -1.7555 -1.7386 -1.7386 -1.3710 -1.3710 -1.3495 -1.3495 -0.9737 -0.9737 -0.9710 -0.9710 -0.9475 -0.9475 -0.9413 -0.9413 -0.6972 -0.6972 -0.6959 -0.6959 0.4025 0.4025 0.4502 0.4502 6.9078 6.9078 7.3522 7.3522 8.2902 8.2902 8.6182 8.6182 9.6747 9.6748 k =-0.0233 0.0154 0.3083 ( 5410 PWs) bands (ev): -21.0480 -21.0480 -21.0471 -21.0471 -20.2379 -20.2379 -20.2295 -20.2295 -20.0731 -20.0731 -20.0637 -20.0637 -6.1607 -6.1607 -6.1515 -6.1515 -3.7582 -3.7582 -3.7316 -3.7316 -2.7938 -2.7938 -2.7377 -2.7377 -2.3322 -2.3322 -2.2880 -2.2879 -1.7560 -1.7560 -1.7390 -1.7390 -1.3733 -1.3733 -1.3520 -1.3520 -0.9757 -0.9757 -0.9714 -0.9714 -0.9450 -0.9450 -0.9393 -0.9393 -0.6956 -0.6956 -0.6938 -0.6938 0.4057 0.4057 0.4536 0.4536 6.9061 6.9061 7.3504 7.3504 8.2871 8.2871 8.6153 8.6153 9.6660 9.6661 k =-0.0349 0.0231 0.3083 ( 5414 PWs) bands (ev): -21.0473 -21.0473 -21.0463 -21.0463 -20.2387 -20.2387 -20.2303 -20.2303 -20.0733 -20.0733 -20.0639 -20.0639 -6.1685 -6.1685 -6.1589 -6.1589 -3.7505 -3.7505 -3.7225 -3.7225 -2.7938 -2.7938 -2.7376 -2.7376 -2.3326 -2.3326 -2.2885 -2.2885 -1.7568 -1.7568 -1.7398 -1.7398 -1.3769 -1.3769 -1.3560 -1.3560 -0.9782 -0.9782 -0.9724 -0.9724 -0.9414 -0.9414 -0.9362 -0.9362 -0.6928 -0.6928 -0.6906 -0.6906 0.4110 0.4110 0.4591 0.4591 6.9032 6.9032 7.3476 7.3476 8.2818 8.2818 8.6105 8.6105 9.6527 9.6528 k =-0.0465 0.0309 0.3083 ( 5418 PWs) bands (ev): -21.0462 -21.0462 -21.0451 -21.0451 -20.2397 -20.2397 -20.2313 -20.2313 -20.0735 -20.0735 -20.0642 -20.0642 -6.1792 -6.1792 -6.1691 -6.1691 -3.7398 -3.7398 -3.7099 -3.7099 -2.7937 -2.7937 -2.7374 -2.7374 -2.3330 -2.3330 -2.2891 -2.2891 -1.7580 -1.7580 -1.7409 -1.7409 -1.3817 -1.3817 -1.3612 -1.3612 -0.9810 -0.9810 -0.9739 -0.9739 -0.9371 -0.9371 -0.9320 -0.9320 -0.6890 -0.6890 -0.6861 -0.6861 0.4185 0.4185 0.4668 0.4668 6.8992 6.8992 7.3435 7.3436 8.2743 8.2743 8.6035 8.6035 9.6352 9.6353 k =-0.0581 0.0386 0.3083 ( 5422 PWs) bands (ev): -21.0448 -21.0448 -21.0436 -21.0436 -20.2409 -20.2409 -20.2326 -20.2326 -20.0738 -20.0738 -20.0645 -20.0645 -6.1927 -6.1927 -6.1820 -6.1820 -3.7262 -3.7262 -3.6941 -3.6941 -2.7937 -2.7937 -2.7372 -2.7372 -2.3335 -2.3335 -2.2900 -2.2899 -1.7596 -1.7596 -1.7424 -1.7424 -1.3873 -1.3873 -1.3674 -1.3674 -0.9839 -0.9839 -0.9757 -0.9757 -0.9325 -0.9325 -0.9271 -0.9271 -0.6841 -0.6841 -0.6807 -0.6807 0.4280 0.4281 0.4767 0.4767 6.8942 6.8942 7.3384 7.3384 8.2646 8.2646 8.5943 8.5943 9.6141 9.6142 k =-0.0698 0.0463 0.3083 ( 5424 PWs) bands (ev): -21.0431 -21.0430 -21.0418 -21.0418 -20.2425 -20.2425 -20.2341 -20.2341 -20.0742 -20.0742 -20.0649 -20.0649 -6.2087 -6.2087 -6.1974 -6.1974 -3.7098 -3.7098 -3.6754 -3.6754 -2.7936 -2.7936 -2.7370 -2.7370 -2.3340 -2.3340 -2.2908 -2.2908 -1.7618 -1.7618 -1.7445 -1.7445 -1.3934 -1.3934 -1.3742 -1.3742 -0.9869 -0.9869 -0.9780 -0.9780 -0.9278 -0.9278 -0.9216 -0.9216 -0.6782 -0.6782 -0.6742 -0.6742 0.4397 0.4397 0.4887 0.4887 6.8880 6.8880 7.3322 7.3322 8.2526 8.2526 8.5826 8.5826 9.5901 9.5902 k =-0.0814 0.0540 0.3083 ( 5422 PWs) bands (ev): -21.0410 -21.0410 -21.0397 -21.0397 -20.2443 -20.2443 -20.2360 -20.2360 -20.0746 -20.0746 -20.0653 -20.0653 -6.2271 -6.2271 -6.2153 -6.2153 -3.6910 -3.6910 -3.6540 -3.6540 -2.7936 -2.7936 -2.7369 -2.7368 -2.3345 -2.3345 -2.2918 -2.2918 -1.7645 -1.7645 -1.7472 -1.7472 -1.3998 -1.3998 -1.3814 -1.3814 -0.9902 -0.9902 -0.9805 -0.9805 -0.9230 -0.9230 -0.9158 -0.9158 -0.6714 -0.6714 -0.6670 -0.6670 0.4534 0.4535 0.5028 0.5028 6.8809 6.8809 7.3249 7.3249 8.2382 8.2382 8.5684 8.5684 9.5639 9.5640 k =-0.0930 0.0617 0.3083 ( 5418 PWs) bands (ev): -21.0387 -21.0387 -21.0373 -21.0373 -20.2464 -20.2464 -20.2381 -20.2381 -20.0750 -20.0750 -20.0659 -20.0659 -6.2477 -6.2477 -6.2353 -6.2353 -3.6698 -3.6698 -3.6302 -3.6301 -2.7936 -2.7935 -2.7367 -2.7367 -2.3349 -2.3349 -2.2927 -2.2926 -1.7679 -1.7679 -1.7505 -1.7505 -1.4060 -1.4060 -1.3885 -1.3885 -0.9935 -0.9935 -0.9834 -0.9834 -0.9181 -0.9181 -0.9099 -0.9099 -0.6639 -0.6639 -0.6591 -0.6591 0.4692 0.4692 0.5190 0.5191 6.8727 6.8727 7.3166 7.3166 8.2213 8.2213 8.5514 8.5514 9.5362 9.5363 k =-0.1047 0.0694 0.3083 ( 5414 PWs) bands (ev): -21.0361 -21.0361 -21.0346 -21.0346 -20.2488 -20.2488 -20.2405 -20.2405 -20.0755 -20.0755 -20.0664 -20.0664 -6.2702 -6.2702 -6.2573 -6.2573 -3.6466 -3.6466 -3.6042 -3.6042 -2.7936 -2.7936 -2.7366 -2.7366 -2.3351 -2.3351 -2.2934 -2.2934 -1.7720 -1.7720 -1.7546 -1.7546 -1.4119 -1.4119 -1.3953 -1.3953 -0.9971 -0.9971 -0.9865 -0.9865 -0.9133 -0.9133 -0.9039 -0.9039 -0.6558 -0.6558 -0.6506 -0.6506 0.4870 0.4870 0.5373 0.5373 6.8637 6.8637 7.3072 7.3073 8.2018 8.2018 8.5314 8.5314 9.5079 9.5079 k =-0.1163 0.0772 0.3083 ( 5416 PWs) bands (ev): -21.0332 -21.0332 -21.0316 -21.0316 -20.2515 -20.2515 -20.2432 -20.2432 -20.0761 -20.0761 -20.0670 -20.0670 -6.2943 -6.2943 -6.2810 -6.2810 -3.6216 -3.6216 -3.5765 -3.5765 -2.7937 -2.7937 -2.7365 -2.7365 -2.3350 -2.3350 -2.2941 -2.2941 -1.7769 -1.7769 -1.7595 -1.7595 -1.4173 -1.4173 -1.4017 -1.4017 -1.0008 -1.0008 -0.9900 -0.9900 -0.9086 -0.9086 -0.8981 -0.8981 -0.6473 -0.6473 -0.6418 -0.6418 0.5067 0.5067 0.5575 0.5575 6.8537 6.8537 7.2970 7.2970 8.1798 8.1798 8.5084 8.5084 9.4794 9.4795 k =-0.1279 0.0849 0.3083 ( 5420 PWs) bands (ev): -21.0301 -21.0300 -21.0284 -21.0283 -20.2544 -20.2544 -20.2461 -20.2461 -20.0767 -20.0767 -20.0677 -20.0677 -6.3199 -6.3199 -6.3062 -6.3062 -3.5951 -3.5951 -3.5473 -3.5472 -2.7939 -2.7938 -2.7366 -2.7366 -2.3347 -2.3347 -2.2945 -2.2945 -1.7825 -1.7825 -1.7651 -1.7651 -1.4220 -1.4220 -1.4073 -1.4073 -1.0046 -1.0046 -0.9937 -0.9937 -0.9038 -0.9038 -0.8924 -0.8924 -0.6385 -0.6385 -0.6328 -0.6328 0.5283 0.5284 0.5796 0.5796 6.8430 6.8430 7.2858 7.2858 8.1552 8.1552 8.4824 8.4824 9.4515 9.4516 k =-0.1395 0.0926 0.3083 ( 5420 PWs) bands (ev): -21.0266 -21.0266 -21.0248 -21.0248 -20.2575 -20.2575 -20.2493 -20.2493 -20.0773 -20.0773 -20.0684 -20.0684 -6.3467 -6.3467 -6.3327 -6.3327 -3.5674 -3.5674 -3.5168 -3.5168 -2.7941 -2.7941 -2.7367 -2.7367 -2.3341 -2.3341 -2.2947 -2.2946 -1.7887 -1.7887 -1.7715 -1.7715 -1.4259 -1.4259 -1.4123 -1.4123 -1.0085 -1.0085 -0.9976 -0.9976 -0.8992 -0.8992 -0.8869 -0.8869 -0.6296 -0.6296 -0.6237 -0.6237 0.5518 0.5518 0.6035 0.6035 6.8315 6.8315 7.2737 7.2738 8.1281 8.1281 8.4532 8.4532 9.4247 9.4248 k =-0.1512 0.1003 0.3083 ( 5422 PWs) bands (ev): -21.0229 -21.0229 -21.0210 -21.0210 -20.2609 -20.2609 -20.2528 -20.2528 -20.0779 -20.0779 -20.0691 -20.0691 -6.3745 -6.3745 -6.3603 -6.3603 -3.5388 -3.5388 -3.4855 -3.4855 -2.7945 -2.7945 -2.7370 -2.7370 -2.3330 -2.3330 -2.2944 -2.2944 -1.7956 -1.7956 -1.7785 -1.7785 -1.4290 -1.4290 -1.4164 -1.4164 -1.0124 -1.0124 -1.0017 -1.0017 -0.8946 -0.8946 -0.8816 -0.8815 -0.6206 -0.6206 -0.6147 -0.6147 0.5769 0.5769 0.6290 0.6291 6.8193 6.8193 7.2609 7.2609 8.0984 8.0984 8.4212 8.4212 9.3993 9.3993 k =-0.1628 0.1080 0.3083 ( 5426 PWs) bands (ev): -21.0190 -21.0190 -21.0170 -21.0170 -20.2646 -20.2646 -20.2565 -20.2565 -20.0786 -20.0786 -20.0699 -20.0699 -6.4031 -6.4030 -6.3887 -6.3887 -3.5095 -3.5095 -3.4536 -3.4536 -2.7950 -2.7950 -2.7375 -2.7375 -2.3314 -2.3314 -2.2939 -2.2938 -1.8030 -1.8030 -1.7859 -1.7859 -1.4314 -1.4314 -1.4197 -1.4197 -1.0162 -1.0162 -1.0058 -1.0058 -0.8901 -0.8901 -0.8764 -0.8764 -0.6118 -0.6118 -0.6059 -0.6059 0.6036 0.6036 0.6562 0.6562 6.8065 6.8065 7.2473 7.2473 8.0664 8.0664 8.3863 8.3864 9.3756 9.3756 k =-0.1744 0.1157 0.3083 ( 5432 PWs) bands (ev): -21.0149 -21.0148 -21.0128 -21.0128 -20.2684 -20.2684 -20.2604 -20.2604 -20.0793 -20.0793 -20.0707 -20.0706 -6.4322 -6.4322 -6.4177 -6.4177 -3.4798 -3.4798 -3.4214 -3.4214 -2.7957 -2.7957 -2.7381 -2.7381 -2.3294 -2.3293 -2.2928 -2.2928 -1.8107 -1.8107 -1.7938 -1.7938 -1.4332 -1.4332 -1.4223 -1.4223 -1.0200 -1.0200 -1.0099 -1.0099 -0.8857 -0.8857 -0.8715 -0.8715 -0.6033 -0.6033 -0.5974 -0.5974 0.6318 0.6318 0.6848 0.6848 6.7932 6.7932 7.2330 7.2331 8.0321 8.0321 8.3491 8.3491 9.3538 9.3538 k =-0.1860 0.1234 0.3083 ( 5434 PWs) bands (ev): -21.0105 -21.0105 -21.0083 -21.0083 -20.2725 -20.2725 -20.2645 -20.2645 -20.0800 -20.0800 -20.0714 -20.0714 -6.4617 -6.4617 -6.4472 -6.4472 -3.4500 -3.4500 -3.3891 -3.3891 -2.7965 -2.7965 -2.7389 -2.7389 -2.3267 -2.3267 -2.2913 -2.2913 -1.8187 -1.8187 -1.8018 -1.8018 -1.4344 -1.4344 -1.4243 -1.4243 -1.0236 -1.0236 -1.0139 -1.0139 -0.8814 -0.8814 -0.8668 -0.8668 -0.5951 -0.5950 -0.5892 -0.5892 0.6614 0.6614 0.7148 0.7148 6.7795 6.7795 7.2182 7.2182 7.9956 7.9956 8.3097 8.3097 9.3339 9.3340 k =-0.1977 0.1312 0.3083 ( 5428 PWs) bands (ev): -21.0059 -21.0059 -21.0037 -21.0037 -20.2768 -20.2768 -20.2688 -20.2688 -20.0806 -20.0806 -20.0722 -20.0722 -6.4914 -6.4914 -6.4770 -6.4770 -3.4203 -3.4203 -3.3570 -3.3570 -2.7974 -2.7974 -2.7398 -2.7398 -2.3235 -2.3235 -2.2894 -2.2893 -1.8267 -1.8267 -1.8098 -1.8098 -1.4352 -1.4352 -1.4257 -1.4257 -1.0269 -1.0269 -1.0177 -1.0177 -0.8772 -0.8772 -0.8622 -0.8622 -0.5872 -0.5872 -0.5815 -0.5815 0.6922 0.6922 0.7459 0.7459 6.7654 6.7654 7.2027 7.2027 7.9573 7.9573 8.2685 8.2686 9.3161 9.3161 k =-0.2093 0.1389 0.3083 ( 5424 PWs) bands (ev): -21.0012 -21.0012 -20.9989 -20.9989 -20.2812 -20.2812 -20.2734 -20.2734 -20.0813 -20.0813 -20.0730 -20.0730 -6.5211 -6.5211 -6.5068 -6.5068 -3.3910 -3.3910 -3.3254 -3.3254 -2.7985 -2.7985 -2.7410 -2.7410 -2.3197 -2.3197 -2.2869 -2.2869 -1.8345 -1.8345 -1.8177 -1.8177 -1.4357 -1.4357 -1.4268 -1.4268 -1.0299 -1.0299 -1.0212 -1.0211 -0.8732 -0.8732 -0.8579 -0.8579 -0.5798 -0.5798 -0.5743 -0.5743 0.7240 0.7240 0.7780 0.7780 6.7511 6.7511 7.1867 7.1868 7.9173 7.9173 8.2261 8.2261 9.3001 9.3001 k =-0.2209 0.1466 0.3083 ( 5424 PWs) bands (ev): -20.9963 -20.9962 -20.9939 -20.9939 -20.2859 -20.2859 -20.2780 -20.2780 -20.0820 -20.0820 -20.0738 -20.0738 -6.5507 -6.5507 -6.5365 -6.5365 -3.3623 -3.3623 -3.2945 -3.2945 -2.7998 -2.7998 -2.7423 -2.7423 -2.3154 -2.3154 -2.2839 -2.2839 -1.8420 -1.8420 -1.8253 -1.8253 -1.4361 -1.4361 -1.4277 -1.4277 -1.0325 -1.0324 -1.0242 -1.0242 -0.8693 -0.8693 -0.8538 -0.8538 -0.5729 -0.5728 -0.5676 -0.5676 0.7568 0.7568 0.8110 0.8110 6.7366 6.7366 7.1704 7.1704 7.8758 7.8759 8.1826 8.1827 9.2860 9.2860 k =-0.2326 0.1543 0.3083 ( 5428 PWs) bands (ev): -20.9912 -20.9912 -20.9888 -20.9888 -20.2906 -20.2906 -20.2829 -20.2829 -20.0827 -20.0827 -20.0746 -20.0746 -6.5800 -6.5800 -6.5660 -6.5660 -3.3343 -3.3343 -3.2645 -3.2645 -2.8013 -2.8013 -2.7438 -2.7438 -2.3105 -2.3105 -2.2805 -2.2805 -1.8492 -1.8491 -1.8325 -1.8325 -1.4364 -1.4364 -1.4286 -1.4285 -1.0346 -1.0346 -1.0267 -1.0267 -0.8655 -0.8655 -0.8500 -0.8500 -0.5664 -0.5664 -0.5614 -0.5614 0.7903 0.7903 0.8446 0.8446 6.7220 6.7220 7.1536 7.1536 7.8332 7.8332 8.1386 8.1387 9.2735 9.2735 k =-0.2442 0.1620 0.3083 ( 5424 PWs) bands (ev): -20.9860 -20.9860 -20.9836 -20.9836 -20.2955 -20.2955 -20.2879 -20.2879 -20.0833 -20.0833 -20.0754 -20.0754 -6.6088 -6.6088 -6.5951 -6.5951 -3.3072 -3.3072 -3.2355 -3.2355 -2.8029 -2.8029 -2.7454 -2.7454 -2.3051 -2.3051 -2.2766 -2.2766 -1.8557 -1.8557 -1.8390 -1.8390 -1.4369 -1.4369 -1.4294 -1.4294 -1.0362 -1.0362 -1.0286 -1.0286 -0.8620 -0.8620 -0.8464 -0.8464 -0.5605 -0.5605 -0.5557 -0.5557 0.8244 0.8244 0.8787 0.8787 6.7075 6.7075 7.1365 7.1365 7.7896 7.7896 8.0945 8.0945 9.2626 9.2626 k =-0.2558 0.1697 0.3083 ( 5422 PWs) bands (ev): -20.9808 -20.9807 -20.9783 -20.9783 -20.3005 -20.3005 -20.2929 -20.2929 -20.0840 -20.0840 -20.0761 -20.0761 -6.6372 -6.6372 -6.6237 -6.6237 -3.2811 -3.2811 -3.2078 -3.2078 -2.8047 -2.8047 -2.7472 -2.7472 -2.2993 -2.2993 -2.2724 -2.2724 -1.8615 -1.8615 -1.8448 -1.8448 -1.4375 -1.4375 -1.4303 -1.4303 -1.0372 -1.0372 -1.0298 -1.0298 -0.8587 -0.8587 -0.8431 -0.8430 -0.5551 -0.5551 -0.5506 -0.5506 0.8588 0.8588 0.9132 0.9132 6.6932 6.6932 7.1192 7.1192 7.7454 7.7454 8.0505 8.0505 9.2530 9.2530 k =-0.2674 0.1775 0.3083 ( 5418 PWs) bands (ev): -20.9754 -20.9754 -20.9729 -20.9729 -20.3056 -20.3056 -20.2981 -20.2981 -20.0846 -20.0846 -20.0769 -20.0769 -6.6649 -6.6649 -6.6517 -6.6517 -3.2563 -3.2563 -3.1815 -3.1815 -2.8066 -2.8066 -2.7491 -2.7491 -2.2931 -2.2931 -2.2679 -2.2679 -1.8665 -1.8665 -1.8498 -1.8498 -1.4384 -1.4384 -1.4314 -1.4314 -1.0377 -1.0377 -1.0302 -1.0302 -0.8556 -0.8556 -0.8400 -0.8400 -0.5502 -0.5502 -0.5460 -0.5460 0.8935 0.8935 0.9477 0.9477 6.6792 6.6792 7.1016 7.1016 7.7009 7.7009 8.0069 8.0069 9.2447 9.2447 k =-0.2791 0.1852 0.3083 ( 5418 PWs) bands (ev): -20.9700 -20.9700 -20.9675 -20.9675 -20.3108 -20.3108 -20.3033 -20.3033 -20.0852 -20.0852 -20.0776 -20.0776 -6.6918 -6.6918 -6.6789 -6.6789 -3.2328 -3.2328 -3.1566 -3.1566 -2.8087 -2.8086 -2.7511 -2.7511 -2.2866 -2.2866 -2.2632 -2.2632 -1.8706 -1.8706 -1.8540 -1.8540 -1.4396 -1.4396 -1.4327 -1.4327 -1.0375 -1.0375 -1.0298 -1.0298 -0.8528 -0.8528 -0.8373 -0.8373 -0.5459 -0.5459 -0.5419 -0.5419 0.9282 0.9282 0.9822 0.9822 6.6657 6.6657 7.0837 7.0837 7.6564 7.6564 7.9640 7.9640 9.2375 9.2375 k =-0.2907 0.1929 0.3083 ( 5406 PWs) bands (ev): -20.9646 -20.9646 -20.9621 -20.9621 -20.3160 -20.3160 -20.3086 -20.3086 -20.0858 -20.0858 -20.0783 -20.0783 -6.7178 -6.7178 -6.7053 -6.7053 -3.2106 -3.2106 -3.1333 -3.1333 -2.8108 -2.8108 -2.7531 -2.7531 -2.2799 -2.2799 -2.2583 -2.2583 -1.8739 -1.8739 -1.8572 -1.8571 -1.4412 -1.4412 -1.4342 -1.4342 -1.0367 -1.0367 -1.0286 -1.0286 -0.8503 -0.8503 -0.8349 -0.8349 -0.5420 -0.5420 -0.5382 -0.5382 0.9628 0.9628 1.0164 1.0164 6.6527 6.6527 7.0657 7.0657 7.6122 7.6122 7.9220 7.9220 9.2312 9.2312 k =-0.3023 0.2006 0.3083 ( 5408 PWs) bands (ev): -20.9592 -20.9592 -20.9567 -20.9567 -20.3211 -20.3211 -20.3138 -20.3138 -20.0864 -20.0864 -20.0790 -20.0790 -6.7429 -6.7429 -6.7308 -6.7308 -3.1898 -3.1898 -3.1116 -3.1116 -2.8130 -2.8130 -2.7552 -2.7552 -2.2732 -2.2732 -2.2534 -2.2533 -1.8762 -1.8762 -1.8594 -1.8594 -1.4431 -1.4430 -1.4359 -1.4359 -1.0353 -1.0353 -1.0267 -1.0267 -0.8481 -0.8481 -0.8329 -0.8329 -0.5386 -0.5386 -0.5350 -0.5350 0.9969 0.9970 1.0501 1.0501 6.6405 6.6405 7.0473 7.0473 7.5687 7.5687 7.8811 7.8811 9.2257 9.2257 k =-0.3140 0.2083 0.3083 ( 5404 PWs) bands (ev): -20.9538 -20.9538 -20.9513 -20.9513 -20.3263 -20.3263 -20.3190 -20.3190 -20.0870 -20.0870 -20.0796 -20.0796 -6.7670 -6.7670 -6.7552 -6.7552 -3.1705 -3.1705 -3.0916 -3.0915 -2.8153 -2.8153 -2.7573 -2.7572 -2.2665 -2.2665 -2.2484 -2.2484 -1.8777 -1.8777 -1.8607 -1.8607 -1.4453 -1.4453 -1.4376 -1.4376 -1.0333 -1.0333 -1.0240 -1.0240 -0.8463 -0.8463 -0.8313 -0.8313 -0.5356 -0.5356 -0.5321 -0.5321 1.0306 1.0306 1.0831 1.0832 6.6292 6.6292 7.0287 7.0287 7.5263 7.5263 7.8414 7.8414 9.2210 9.2210 k =-0.3256 0.2160 0.3083 ( 5400 PWs) bands (ev): -20.9485 -20.9485 -20.9461 -20.9461 -20.3314 -20.3314 -20.3242 -20.3242 -20.0875 -20.0875 -20.0802 -20.0802 -6.7899 -6.7899 -6.7785 -6.7785 -3.1527 -3.1527 -3.0732 -3.0731 -2.8176 -2.8176 -2.7593 -2.7593 -2.2599 -2.2599 -2.2436 -2.2436 -1.8783 -1.8783 -1.8612 -1.8612 -1.4477 -1.4477 -1.4395 -1.4394 -1.0306 -1.0306 -1.0206 -1.0206 -0.8449 -0.8449 -0.8301 -0.8300 -0.5330 -0.5330 -0.5297 -0.5297 1.0635 1.0635 1.1153 1.1154 6.6189 6.6189 7.0096 7.0096 7.4854 7.4854 7.8031 7.8031 9.2169 9.2169 k =-0.3372 0.2238 0.3083 ( 5388 PWs) bands (ev): -20.9433 -20.9433 -20.9409 -20.9409 -20.3363 -20.3363 -20.3293 -20.3293 -20.0880 -20.0880 -20.0808 -20.0808 -6.8116 -6.8116 -6.8006 -6.8006 -3.1363 -3.1363 -3.0564 -3.0564 -2.8198 -2.8198 -2.7613 -2.7613 -2.2535 -2.2535 -2.2389 -2.2389 -1.8782 -1.8782 -1.8608 -1.8608 -1.4503 -1.4503 -1.4413 -1.4413 -1.0274 -1.0274 -1.0167 -1.0167 -0.8438 -0.8438 -0.8292 -0.8292 -0.5309 -0.5309 -0.5275 -0.5275 1.0955 1.0955 1.1465 1.1465 6.6098 6.6098 6.9901 6.9901 7.4464 7.4464 7.7663 7.7663 9.2134 9.2134 k =-0.3488 0.2315 0.3083 ( 5402 PWs) bands (ev): -20.9383 -20.9383 -20.9359 -20.9359 -20.3412 -20.3412 -20.3342 -20.3342 -20.0884 -20.0884 -20.0813 -20.0813 -6.8321 -6.8321 -6.8215 -6.8215 -3.1214 -3.1213 -3.0412 -3.0412 -2.8221 -2.8221 -2.7632 -2.7632 -2.2475 -2.2475 -2.2344 -2.2344 -1.8775 -1.8775 -1.8597 -1.8597 -1.4531 -1.4531 -1.4431 -1.4431 -1.0237 -1.0237 -1.0123 -1.0123 -0.8431 -0.8431 -0.8289 -0.8289 -0.5291 -0.5291 -0.5257 -0.5257 1.1263 1.1263 1.1764 1.1764 6.6020 6.6020 6.9699 6.9699 7.4096 7.4096 7.7311 7.7311 9.2103 9.2103 k =-0.3605 0.2392 0.3083 ( 5390 PWs) bands (ev): -20.9334 -20.9334 -20.9311 -20.9311 -20.3459 -20.3459 -20.3390 -20.3390 -20.0889 -20.0889 -20.0818 -20.0818 -6.8513 -6.8513 -6.8411 -6.8410 -3.1078 -3.1078 -3.0276 -3.0276 -2.8242 -2.8242 -2.7650 -2.7650 -2.2418 -2.2418 -2.2301 -2.2301 -1.8763 -1.8763 -1.8581 -1.8581 -1.4558 -1.4558 -1.4448 -1.4448 -1.0196 -1.0196 -1.0074 -1.0074 -0.8429 -0.8429 -0.8289 -0.8289 -0.5276 -0.5276 -0.5241 -0.5241 1.1559 1.1559 1.2049 1.2049 6.5956 6.5957 6.9490 6.9490 7.3755 7.3756 7.6975 7.6976 9.2076 9.2076 k =-0.3721 0.2469 0.3083 ( 5390 PWs) bands (ev): -20.9287 -20.9287 -20.9265 -20.9265 -20.3504 -20.3504 -20.3436 -20.3436 -20.0893 -20.0893 -20.0823 -20.0823 -6.8692 -6.8692 -6.8593 -6.8592 -3.0956 -3.0956 -3.0155 -3.0155 -2.8262 -2.8262 -2.7667 -2.7667 -2.2365 -2.2365 -2.2261 -2.2261 -1.8747 -1.8747 -1.8560 -1.8560 -1.4584 -1.4584 -1.4463 -1.4463 -1.0150 -1.0150 -1.0023 -1.0023 -0.8430 -0.8430 -0.8294 -0.8294 -0.5263 -0.5263 -0.5228 -0.5228 1.1839 1.1839 1.2317 1.2317 6.5909 6.5909 6.9273 6.9274 7.3444 7.3445 7.6658 7.6659 9.2053 9.2053 k =-0.3837 0.2546 0.3083 ( 5392 PWs) bands (ev): -20.9242 -20.9242 -20.9222 -20.9222 -20.3547 -20.3547 -20.3479 -20.3479 -20.0896 -20.0896 -20.0827 -20.0827 -6.8856 -6.8856 -6.8760 -6.8760 -3.0848 -3.0848 -3.0048 -3.0048 -2.8281 -2.8281 -2.7683 -2.7683 -2.2317 -2.2317 -2.2223 -2.2223 -1.8729 -1.8729 -1.8536 -1.8536 -1.4608 -1.4608 -1.4477 -1.4477 -1.0103 -1.0103 -0.9969 -0.9969 -0.8435 -0.8435 -0.8304 -0.8304 -0.5253 -0.5253 -0.5217 -0.5217 1.2103 1.2103 1.2568 1.2568 6.5880 6.5880 6.9048 6.9048 7.3165 7.3166 7.6360 7.6361 9.2033 9.2033 k =-0.3953 0.2623 0.3083 ( 5384 PWs) bands (ev): -20.9201 -20.9200 -20.9182 -20.9182 -20.3586 -20.3586 -20.3520 -20.3520 -20.0900 -20.0900 -20.0831 -20.0831 -6.9006 -6.9006 -6.8914 -6.8913 -3.0752 -3.0752 -2.9955 -2.9955 -2.8299 -2.8299 -2.7697 -2.7697 -2.2274 -2.2273 -2.2189 -2.2189 -1.8709 -1.8709 -1.8511 -1.8511 -1.4630 -1.4630 -1.4489 -1.4489 -1.0053 -1.0053 -0.9915 -0.9915 -0.8442 -0.8442 -0.8317 -0.8317 -0.5246 -0.5246 -0.5207 -0.5207 1.2348 1.2349 1.2800 1.2800 6.5868 6.5869 6.8815 6.8815 7.2921 7.2921 7.6083 7.6083 9.2016 9.2016 k =-0.4070 0.2700 0.3083 ( 5384 PWs) bands (ev): -20.9162 -20.9162 -20.9145 -20.9145 -20.3623 -20.3623 -20.3558 -20.3558 -20.0903 -20.0903 -20.0835 -20.0835 -6.9141 -6.9140 -6.9052 -6.9052 -3.0668 -3.0668 -2.9875 -2.9875 -2.8314 -2.8314 -2.7710 -2.7710 -2.2235 -2.2235 -2.2158 -2.2158 -1.8689 -1.8689 -1.8485 -1.8485 -1.4650 -1.4650 -1.4498 -1.4498 -1.0003 -1.0002 -0.9860 -0.9860 -0.8453 -0.8453 -0.8333 -0.8333 -0.5240 -0.5240 -0.5199 -0.5199 1.2574 1.2574 1.3011 1.3011 6.5877 6.5877 6.8575 6.8576 7.2710 7.2710 7.5828 7.5828 9.2002 9.2002 k =-0.4186 0.2778 0.3083 ( 5380 PWs) bands (ev): -20.9127 -20.9127 -20.9111 -20.9111 -20.3657 -20.3657 -20.3592 -20.3592 -20.0906 -20.0906 -20.0838 -20.0838 -6.9260 -6.9260 -6.9174 -6.9174 -3.0595 -3.0595 -2.9806 -2.9806 -2.8328 -2.8328 -2.7721 -2.7721 -2.2201 -2.2201 -2.2130 -2.2129 -1.8670 -1.8670 -1.8460 -1.8460 -1.4666 -1.4666 -1.4505 -1.4505 -0.9953 -0.9953 -0.9808 -0.9808 -0.8465 -0.8465 -0.8353 -0.8353 -0.5235 -0.5235 -0.5193 -0.5193 1.2777 1.2777 1.3200 1.3201 6.5905 6.5905 6.8331 6.8331 7.2533 7.2533 7.5596 7.5596 9.1989 9.1989 k =-0.4302 0.2855 0.3083 ( 5380 PWs) bands (ev): -20.9095 -20.9095 -20.9081 -20.9081 -20.3686 -20.3686 -20.3622 -20.3622 -20.0908 -20.0908 -20.0841 -20.0841 -6.9365 -6.9364 -6.9281 -6.9281 -3.0534 -3.0534 -2.9749 -2.9749 -2.8340 -2.8340 -2.7730 -2.7730 -2.2172 -2.2172 -2.2105 -2.2105 -1.8652 -1.8652 -1.8438 -1.8438 -1.4679 -1.4679 -1.4511 -1.4511 -0.9905 -0.9905 -0.9757 -0.9757 -0.8479 -0.8478 -0.8375 -0.8375 -0.5231 -0.5231 -0.5188 -0.5188 1.2957 1.2957 1.3366 1.3367 6.5955 6.5955 6.8085 6.8085 7.2387 7.2388 7.5389 7.5389 9.1979 9.1979 k =-0.4419 0.2932 0.3083 ( 5376 PWs) bands (ev): -20.9068 -20.9068 -20.9056 -20.9056 -20.3712 -20.3712 -20.3649 -20.3649 -20.0910 -20.0910 -20.0843 -20.0843 -6.9453 -6.9453 -6.9373 -6.9372 -3.0483 -3.0483 -2.9702 -2.9702 -2.8350 -2.8349 -2.7738 -2.7738 -2.2147 -2.2147 -2.2084 -2.2084 -1.8637 -1.8637 -1.8418 -1.8417 -1.4690 -1.4690 -1.4514 -1.4514 -0.9860 -0.9860 -0.9712 -0.9712 -0.8491 -0.8491 -0.8398 -0.8398 -0.5229 -0.5229 -0.5184 -0.5184 1.3111 1.3112 1.3508 1.3509 6.6025 6.6025 6.7841 6.7841 7.2271 7.2271 7.5210 7.5210 9.1971 9.1971 k =-0.4535 0.3009 0.3083 ( 5376 PWs) bands (ev): -20.9045 -20.9045 -20.9035 -20.9035 -20.3733 -20.3733 -20.3671 -20.3671 -20.0912 -20.0912 -20.0845 -20.0845 -6.9526 -6.9526 -6.9447 -6.9447 -3.0442 -3.0442 -2.9665 -2.9665 -2.8357 -2.8357 -2.7745 -2.7745 -2.2127 -2.2127 -2.2067 -2.2066 -1.8624 -1.8624 -1.8401 -1.8401 -1.4698 -1.4698 -1.4516 -1.4516 -0.9820 -0.9820 -0.9671 -0.9671 -0.8503 -0.8503 -0.8422 -0.8422 -0.5227 -0.5227 -0.5180 -0.5180 1.3240 1.3240 1.3626 1.3626 6.6116 6.6116 6.7602 6.7603 7.2181 7.2182 7.5059 7.5060 9.1964 9.1964 k =-0.4651 0.3086 0.3083 ( 5384 PWs) bands (ev): -20.9027 -20.9027 -20.9019 -20.9019 -20.3750 -20.3750 -20.3688 -20.3688 -20.0913 -20.0913 -20.0847 -20.0847 -6.9583 -6.9583 -6.9506 -6.9506 -3.0410 -3.0410 -2.9637 -2.9637 -2.8363 -2.8363 -2.7750 -2.7750 -2.2111 -2.2111 -2.2053 -2.2053 -1.8614 -1.8614 -1.8387 -1.8387 -1.4703 -1.4703 -1.4518 -1.4518 -0.9786 -0.9786 -0.9638 -0.9638 -0.8512 -0.8512 -0.8444 -0.8444 -0.5225 -0.5225 -0.5178 -0.5178 1.3342 1.3342 1.3717 1.3717 6.6226 6.6226 6.7374 6.7374 7.2115 7.2116 7.4940 7.4940 9.1959 9.1959 k =-0.4767 0.3163 0.3083 ( 5376 PWs) bands (ev): -20.9013 -20.9013 -20.9007 -20.9007 -20.3762 -20.3762 -20.3701 -20.3701 -20.0914 -20.0914 -20.0848 -20.0848 -6.9623 -6.9623 -6.9548 -6.9548 -3.0388 -3.0388 -2.9617 -2.9617 -2.8368 -2.8368 -2.7753 -2.7753 -2.2100 -2.2100 -2.2043 -2.2043 -1.8606 -1.8606 -1.8378 -1.8378 -1.4707 -1.4707 -1.4518 -1.4518 -0.9761 -0.9761 -0.9614 -0.9614 -0.8518 -0.8518 -0.8463 -0.8462 -0.5225 -0.5225 -0.5177 -0.5177 1.3415 1.3415 1.3783 1.3783 6.6352 6.6352 6.7161 6.7161 7.2070 7.2070 7.4853 7.4854 9.1955 9.1955 k =-0.4884 0.3241 0.3083 ( 5376 PWs) bands (ev): -20.9005 -20.9005 -20.9000 -20.9000 -20.3770 -20.3770 -20.3708 -20.3708 -20.0914 -20.0914 -20.0848 -20.0848 -6.9648 -6.9648 -6.9573 -6.9573 -3.0374 -3.0374 -2.9605 -2.9605 -2.8370 -2.8370 -2.7755 -2.7755 -2.2093 -2.2093 -2.2037 -2.2037 -1.8602 -1.8602 -1.8372 -1.8372 -1.4709 -1.4709 -1.4518 -1.4518 -0.9745 -0.9745 -0.9598 -0.9598 -0.8520 -0.8520 -0.8476 -0.8476 -0.5224 -0.5224 -0.5176 -0.5176 1.3459 1.3459 1.3823 1.3823 6.6482 6.6482 6.6978 6.6979 7.2044 7.2044 7.4801 7.4801 9.1953 9.1953 k =-0.5000 0.3318 0.3083 ( 5372 PWs) bands (ev): -20.9002 -20.9002 -20.8998 -20.8998 -20.3772 -20.3772 -20.3711 -20.3711 -20.0914 -20.0914 -20.0848 -20.0848 -6.9656 -6.9656 -6.9581 -6.9581 -3.0370 -3.0370 -2.9601 -2.9601 -2.8371 -2.8371 -2.7756 -2.7756 -2.2091 -2.2091 -2.2035 -2.2035 -1.8600 -1.8600 -1.8370 -1.8370 -1.4710 -1.4710 -1.4518 -1.4518 -0.9739 -0.9739 -0.9593 -0.9593 -0.8520 -0.8520 -0.8481 -0.8481 -0.5224 -0.5224 -0.5175 -0.5175 1.3474 1.3474 1.3836 1.3836 6.6557 6.6557 6.6886 6.6886 7.2036 7.2036 7.4783 7.4783 9.1953 9.1953 Writing output data file SbF3.save init_run : 3.10s CPU 13.33s WALL ( 1 calls) electrons : 824.28s CPU 833.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.61s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 824.26s CPU 833.07s WALL ( 1 calls) v_of_rho : 0.39s CPU 1.00s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.37s CPU 0.62s WALL ( 1 calls) newd : 0.45s CPU 0.61s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.14s WALL ( 366 calls) cegterg : 736.05s CPU 740.83s WALL ( 638 calls) Called by sum_band: Called by *egterg: h_psi : 343.55s CPU 349.83s WALL ( 8968 calls) s_psi : 32.52s CPU 32.89s WALL ( 8968 calls) g_psi : 0.97s CPU 1.00s WALL ( 7964 calls) cdiaghg : 243.83s CPU 242.30s WALL ( 8330 calls) cegterg:over : 74.74s CPU 73.12s WALL ( 7964 calls) cegterg:upda : 19.60s CPU 21.78s WALL ( 7964 calls) cegterg:last : 17.09s CPU 17.75s WALL ( 1736 calls) Called by h_psi: h_psi:vloc : 273.38s CPU 277.96s WALL ( 8968 calls) h_psi:vnl : 69.71s CPU 70.93s WALL ( 8968 calls) add_vuspsi : 24.19s CPU 26.97s WALL ( 8968 calls) General routines calbec : 45.48s CPU 43.85s WALL ( 8968 calls) fft : 0.79s CPU 1.54s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 260.46s CPU 263.68s WALL ( 1302344 calls) interpolate : 0.07s CPU 0.09s WALL ( 4 calls) davcio : 0.04s CPU 4.71s WALL ( 732 calls) Parallel routines fft_scatter : 169.32s CPU 167.87s WALL ( 1302367 calls) PWSCF : 15m31.10s CPU 22m38.42s WALL This run was terminated on: 11:35:39 23Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=