Program PWSCF v.5.1.1 starts on 23Jul2015 at 11:10:23 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: ./InI.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file I.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 37 28 8 1031 668 106 Max 38 29 9 1034 687 111 Sum 1815 1373 393 49583 32559 5163 bravais-lattice index = 14 lattice parameter (alat) = 12.5037 a.u. unit-cell volume = 917.2290 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.503721 celldm(2)= 1.000000 celldm(3)= 0.700094 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.742182 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.742182 0.670199 0.000000 ) a(3) = ( 0.000000 0.000000 0.700094 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.107405 -0.000000 ) b(2) = ( 0.000000 1.492094 -0.000000 ) b(3) = ( 0.000000 0.000000 1.428380 ) PseudoPot. # 1 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 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 In 13.00 114.81800 In( 1.00) I 7.00 126.90450 I( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 362 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0075525 0.0196328 -0.0000000), wk = 0.0027624 k( 3) = ( 0.0151051 0.0392656 -0.0000000), wk = 0.0027624 k( 4) = ( 0.0226576 0.0588985 -0.0000000), wk = 0.0027624 k( 5) = ( 0.0302102 0.0785313 -0.0000000), wk = 0.0027624 k( 6) = ( 0.0377627 0.0981641 -0.0000000), wk = 0.0027624 k( 7) = ( 0.0453152 0.1177969 -0.0000000), wk = 0.0027624 k( 8) = ( 0.0528678 0.1374297 -0.0000000), wk = 0.0027624 k( 9) = ( 0.0604203 0.1570626 -0.0000000), wk = 0.0027624 k( 10) = ( 0.0679729 0.1766954 -0.0000000), wk = 0.0027624 k( 11) = ( 0.0755254 0.1963282 -0.0000000), wk = 0.0027624 k( 12) = ( 0.0830779 0.2159610 -0.0000000), wk = 0.0027624 k( 13) = ( 0.0906305 0.2355938 -0.0000000), wk = 0.0027624 k( 14) = ( 0.0981830 0.2552266 -0.0000000), wk = 0.0027624 k( 15) = ( 0.1057355 0.2748595 -0.0000000), wk = 0.0027624 k( 16) = ( 0.1132881 0.2944923 -0.0000000), wk = 0.0027624 k( 17) = ( 0.1208406 0.3141251 -0.0000000), wk = 0.0027624 k( 18) = ( 0.1283932 0.3337579 -0.0000000), wk = 0.0027624 k( 19) = ( 0.1359457 0.3533907 -0.0000000), wk = 0.0027624 k( 20) = ( 0.1434982 0.3730236 -0.0000000), wk = 0.0027624 k( 21) = ( 0.1510508 0.3926564 -0.0000000), wk = 0.0027624 k( 22) = ( 0.1586033 0.4122892 -0.0000000), wk = 0.0027624 k( 23) = ( 0.1661559 0.4319220 -0.0000000), wk = 0.0027624 k( 24) = ( 0.1737084 0.4515549 -0.0000000), wk = 0.0027624 k( 25) = ( 0.1812610 0.4711877 -0.0000000), wk = 0.0027624 k( 26) = ( 0.1888135 0.4908205 -0.0000000), wk = 0.0027624 k( 27) = ( 0.1963660 0.5104533 -0.0000000), wk = 0.0027624 k( 28) = ( 0.2039186 0.5300861 -0.0000000), wk = 0.0027624 k( 29) = ( 0.2114711 0.5497190 -0.0000000), wk = 0.0027624 k( 30) = ( 0.2190236 0.5693518 -0.0000000), wk = 0.0027624 k( 31) = ( 0.2265762 0.5889846 -0.0000000), wk = 0.0027624 k( 32) = ( 0.2341287 0.6086174 -0.0000000), wk = 0.0027624 k( 33) = ( 0.2416813 0.6282502 -0.0000000), wk = 0.0027624 k( 34) = ( 0.2492338 0.6478830 -0.0000000), wk = 0.0027624 k( 35) = ( 0.2567863 0.6675159 -0.0000000), wk = 0.0027624 k( 36) = ( 0.2643389 0.6871487 -0.0000000), wk = 0.0027624 k( 37) = ( 0.2718914 0.7067815 -0.0000000), wk = 0.0027624 k( 38) = ( 0.2794440 0.7264143 -0.0000000), wk = 0.0027624 k( 39) = ( 0.2869965 0.7460471 -0.0000000), wk = 0.0027624 k( 40) = ( 0.2869965 0.7460471 -0.0000000), wk = 0.0027624 k( 41) = ( 0.2664968 0.7460471 -0.0000000), wk = 0.0027624 k( 42) = ( 0.2459970 0.7460471 -0.0000000), wk = 0.0027624 k( 43) = ( 0.2254973 0.7460471 -0.0000000), wk = 0.0027624 k( 44) = ( 0.2049975 0.7460471 -0.0000000), wk = 0.0027624 k( 45) = ( 0.1844977 0.7460471 -0.0000000), wk = 0.0027624 k( 46) = ( 0.1639980 0.7460472 -0.0000000), wk = 0.0027624 k( 47) = ( 0.1434982 0.7460471 -0.0000000), wk = 0.0027624 k( 48) = ( 0.1229985 0.7460471 -0.0000000), wk = 0.0027624 k( 49) = ( 0.1024987 0.7460471 -0.0000000), wk = 0.0027624 k( 50) = ( 0.0819990 0.7460471 -0.0000000), wk = 0.0027624 k( 51) = ( 0.0614992 0.7460471 -0.0000000), wk = 0.0027624 k( 52) = ( 0.0409995 0.7460471 -0.0000000), wk = 0.0027624 k( 53) = ( 0.0204998 0.7460471 -0.0000000), wk = 0.0027624 k( 54) = ( 0.0000000 0.7460471 -0.0000000), wk = 0.0027624 k( 55) = ( 0.0000000 0.7460471 -0.0000000), wk = 0.0027624 k( 56) = ( 0.0000000 0.7460471 0.0210056), wk = 0.0027624 k( 57) = ( 0.0000000 0.7460471 0.0420112), wk = 0.0027624 k( 58) = ( 0.0000000 0.7460471 0.0630168), wk = 0.0027624 k( 59) = ( 0.0000000 0.7460471 0.0840224), wk = 0.0027624 k( 60) = ( 0.0000000 0.7460471 0.1050279), wk = 0.0027624 k( 61) = ( 0.0000000 0.7460471 0.1260335), wk = 0.0027624 k( 62) = ( 0.0000000 0.7460471 0.1470391), wk = 0.0027624 k( 63) = ( 0.0000000 0.7460471 0.1680447), wk = 0.0027624 k( 64) = ( 0.0000000 0.7460471 0.1890503), wk = 0.0027624 k( 65) = ( 0.0000000 0.7460471 0.2100559), wk = 0.0027624 k( 66) = ( 0.0000000 0.7460471 0.2310615), wk = 0.0027624 k( 67) = ( 0.0000000 0.7460471 0.2520671), wk = 0.0027624 k( 68) = ( 0.0000000 0.7460471 0.2730726), wk = 0.0027624 k( 69) = ( 0.0000000 0.7460471 0.2940782), wk = 0.0027624 k( 70) = ( 0.0000000 0.7460471 0.3150838), wk = 0.0027624 k( 71) = ( 0.0000000 0.7460471 0.3360894), wk = 0.0027624 k( 72) = ( 0.0000000 0.7460471 0.3570950), wk = 0.0027624 k( 73) = ( 0.0000000 0.7460471 0.3781006), wk = 0.0027624 k( 74) = ( 0.0000000 0.7460471 0.3991062), wk = 0.0027624 k( 75) = ( 0.0000000 0.7460471 0.4201118), wk = 0.0027624 k( 76) = ( 0.0000000 0.7460471 0.4411173), wk = 0.0027624 k( 77) = ( 0.0000000 0.7460471 0.4621229), wk = 0.0027624 k( 78) = ( 0.0000000 0.7460471 0.4831285), wk = 0.0027624 k( 79) = ( 0.0000000 0.7460471 0.5041341), wk = 0.0027624 k( 80) = ( 0.0000000 0.7460471 0.5251397), wk = 0.0027624 k( 81) = ( 0.0000000 0.7460471 0.5461453), wk = 0.0027624 k( 82) = ( 0.0000000 0.7460471 0.5671509), wk = 0.0027624 k( 83) = ( 0.0000000 0.7460471 0.5881565), wk = 0.0027624 k( 84) = ( 0.0000000 0.7460471 0.6091620), wk = 0.0027624 k( 85) = ( 0.0000000 0.7460471 0.6301676), wk = 0.0027624 k( 86) = ( 0.0000000 0.7460471 0.6511732), wk = 0.0027624 k( 87) = ( 0.0000000 0.7460471 0.6721788), wk = 0.0027624 k( 88) = ( 0.0000000 0.7460471 0.6931844), wk = 0.0027624 k( 89) = ( 0.0000000 0.7460471 0.7141900), wk = 0.0027624 k( 90) = ( 0.0000000 0.7460471 0.7141900), wk = 0.0027624 k( 91) = ( 0.0204998 0.7460471 0.7141900), wk = 0.0027624 k( 92) = ( 0.0409995 0.7460471 0.7141900), wk = 0.0027624 k( 93) = ( 0.0614992 0.7460471 0.7141900), wk = 0.0027624 k( 94) = ( 0.0819990 0.7460471 0.7141900), wk = 0.0027624 k( 95) = ( 0.1024987 0.7460471 0.7141900), wk = 0.0027624 k( 96) = ( 0.1229985 0.7460471 0.7141900), wk = 0.0027624 k( 97) = ( 0.1434982 0.7460471 0.7141900), wk = 0.0027624 k( 98) = ( 0.1639980 0.7460472 0.7141900), wk = 0.0027624 k( 99) = ( 0.1844977 0.7460471 0.7141900), wk = 0.0027624 k( 100) = ( 0.2049975 0.7460471 0.7141900), wk = 0.0027624 k( 101) = ( 0.2254973 0.7460471 0.7141900), wk = 0.0027624 k( 102) = ( 0.2459970 0.7460471 0.7141900), wk = 0.0027624 k( 103) = ( 0.2664968 0.7460471 0.7141900), wk = 0.0027624 k( 104) = ( 0.2869965 0.7460471 0.7141900), wk = 0.0027624 k( 105) = ( 0.2869965 0.7460471 0.7141900), wk = 0.0027624 k( 106) = ( 0.2794440 0.7264143 0.7141900), wk = 0.0027624 k( 107) = ( 0.2718914 0.7067815 0.7141900), wk = 0.0027624 k( 108) = ( 0.2643389 0.6871487 0.7141900), wk = 0.0027624 k( 109) = ( 0.2567863 0.6675159 0.7141900), wk = 0.0027624 k( 110) = ( 0.2492338 0.6478830 0.7141900), wk = 0.0027624 k( 111) = ( 0.2416813 0.6282502 0.7141900), wk = 0.0027624 k( 112) = ( 0.2341287 0.6086174 0.7141900), wk = 0.0027624 k( 113) = ( 0.2265762 0.5889846 0.7141900), wk = 0.0027624 k( 114) = ( 0.2190236 0.5693518 0.7141900), wk = 0.0027624 k( 115) = ( 0.2114711 0.5497190 0.7141900), wk = 0.0027624 k( 116) = ( 0.2039186 0.5300861 0.7141900), wk = 0.0027624 k( 117) = ( 0.1963660 0.5104533 0.7141900), wk = 0.0027624 k( 118) = ( 0.1888135 0.4908205 0.7141900), wk = 0.0027624 k( 119) = ( 0.1812610 0.4711877 0.7141900), wk = 0.0027624 k( 120) = ( 0.1737084 0.4515549 0.7141900), wk = 0.0027624 k( 121) = ( 0.1661559 0.4319220 0.7141900), wk = 0.0027624 k( 122) = ( 0.1586033 0.4122892 0.7141900), wk = 0.0027624 k( 123) = ( 0.1510508 0.3926564 0.7141900), wk = 0.0027624 k( 124) = ( 0.1434982 0.3730236 0.7141900), wk = 0.0027624 k( 125) = ( 0.1359457 0.3533907 0.7141900), wk = 0.0027624 k( 126) = ( 0.1283932 0.3337579 0.7141900), wk = 0.0027624 k( 127) = ( 0.1208406 0.3141251 0.7141900), wk = 0.0027624 k( 128) = ( 0.1132881 0.2944923 0.7141900), wk = 0.0027624 k( 129) = ( 0.1057355 0.2748595 0.7141900), wk = 0.0027624 k( 130) = ( 0.0981830 0.2552266 0.7141900), wk = 0.0027624 k( 131) = ( 0.0906305 0.2355938 0.7141900), wk = 0.0027624 k( 132) = ( 0.0830779 0.2159610 0.7141900), wk = 0.0027624 k( 133) = ( 0.0755254 0.1963282 0.7141900), wk = 0.0027624 k( 134) = ( 0.0679729 0.1766954 0.7141900), wk = 0.0027624 k( 135) = ( 0.0604203 0.1570626 0.7141900), wk = 0.0027624 k( 136) = ( 0.0528678 0.1374297 0.7141900), wk = 0.0027624 k( 137) = ( 0.0453152 0.1177969 0.7141900), wk = 0.0027624 k( 138) = ( 0.0377627 0.0981641 0.7141900), wk = 0.0027624 k( 139) = ( 0.0302102 0.0785313 0.7141900), wk = 0.0027624 k( 140) = ( 0.0226576 0.0588985 0.7141900), wk = 0.0027624 k( 141) = ( 0.0151051 0.0392656 0.7141900), wk = 0.0027624 k( 142) = ( 0.0075525 0.0196328 0.7141900), wk = 0.0027624 k( 143) = ( 0.0000000 0.0000000 0.7141900), wk = 0.0027624 k( 144) = ( 0.0000000 0.0000000 0.7141900), wk = 0.0027624 k( 145) = ( 0.0000000 0.0000000 0.6931844), wk = 0.0027624 k( 146) = ( 0.0000000 0.0000000 0.6721788), wk = 0.0027624 k( 147) = ( 0.0000000 0.0000000 0.6511732), wk = 0.0027624 k( 148) = ( 0.0000000 0.0000000 0.6301676), wk = 0.0027624 k( 149) = ( 0.0000000 0.0000000 0.6091620), wk = 0.0027624 k( 150) = ( 0.0000000 0.0000000 0.5881565), wk = 0.0027624 k( 151) = ( 0.0000000 0.0000000 0.5671509), wk = 0.0027624 k( 152) = ( 0.0000000 0.0000000 0.5461453), wk = 0.0027624 k( 153) = ( 0.0000000 0.0000000 0.5251397), wk = 0.0027624 k( 154) = ( 0.0000000 0.0000000 0.5041341), wk = 0.0027624 k( 155) = ( 0.0000000 0.0000000 0.4831285), wk = 0.0027624 k( 156) = ( 0.0000000 0.0000000 0.4621229), wk = 0.0027624 k( 157) = ( 0.0000000 0.0000000 0.4411173), wk = 0.0027624 k( 158) = ( 0.0000000 0.0000000 0.4201118), wk = 0.0027624 k( 159) = ( 0.0000000 0.0000000 0.3991062), wk = 0.0027624 k( 160) = ( 0.0000000 0.0000000 0.3781006), wk = 0.0027624 k( 161) = ( 0.0000000 0.0000000 0.3570950), wk = 0.0027624 k( 162) = ( 0.0000000 0.0000000 0.3360894), wk = 0.0027624 k( 163) = ( 0.0000000 0.0000000 0.3150838), wk = 0.0027624 k( 164) = ( 0.0000000 0.0000000 0.2940782), wk = 0.0027624 k( 165) = ( 0.0000000 0.0000000 0.2730726), wk = 0.0027624 k( 166) = ( 0.0000000 0.0000000 0.2520671), wk = 0.0027624 k( 167) = ( 0.0000000 0.0000000 0.2310615), wk = 0.0027624 k( 168) = ( 0.0000000 0.0000000 0.2100559), wk = 0.0027624 k( 169) = ( 0.0000000 0.0000000 0.1890503), wk = 0.0027624 k( 170) = ( 0.0000000 0.0000000 0.1680447), wk = 0.0027624 k( 171) = ( 0.0000000 0.0000000 0.1470391), wk = 0.0027624 k( 172) = ( 0.0000000 0.0000000 0.1260335), wk = 0.0027624 k( 173) = ( 0.0000000 0.0000000 0.1050279), wk = 0.0027624 k( 174) = ( 0.0000000 0.0000000 0.0840224), wk = 0.0027624 k( 175) = ( 0.0000000 0.0000000 0.0630168), wk = 0.0027624 k( 176) = ( 0.0000000 0.0000000 0.0420112), wk = 0.0027624 k( 177) = ( 0.0000000 0.0000000 0.0210056), wk = 0.0027624 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 180) = ( -0.0192308 0.0073979 0.0000000), wk = 0.0027624 k( 181) = ( -0.0384615 0.0147958 0.0000000), wk = 0.0027624 k( 182) = ( -0.0576923 0.0221936 0.0000000), wk = 0.0027624 k( 183) = ( -0.0769231 0.0295915 0.0000000), wk = 0.0027624 k( 184) = ( -0.0961538 0.0369894 0.0000000), wk = 0.0027624 k( 185) = ( -0.1153846 0.0443873 0.0000000), wk = 0.0027624 k( 186) = ( -0.1346154 0.0517851 0.0000000), wk = 0.0027624 k( 187) = ( -0.1538461 0.0591830 0.0000000), wk = 0.0027624 k( 188) = ( -0.1730769 0.0665809 0.0000000), wk = 0.0027624 k( 189) = ( -0.1923077 0.0739787 0.0000000), wk = 0.0027624 k( 190) = ( -0.2115385 0.0813766 0.0000000), wk = 0.0027624 k( 191) = ( -0.2307692 0.0887745 0.0000000), wk = 0.0027624 k( 192) = ( -0.2500000 0.0961724 0.0000000), wk = 0.0027624 k( 193) = ( -0.2692308 0.1035702 0.0000000), wk = 0.0027624 k( 194) = ( -0.2884615 0.1109681 0.0000000), wk = 0.0027624 k( 195) = ( -0.3076923 0.1183660 0.0000000), wk = 0.0027624 k( 196) = ( -0.3269231 0.1257639 0.0000000), wk = 0.0027624 k( 197) = ( -0.3461538 0.1331618 0.0000000), wk = 0.0027624 k( 198) = ( -0.3653846 0.1405596 0.0000000), wk = 0.0027624 k( 199) = ( -0.3846154 0.1479575 0.0000000), wk = 0.0027624 k( 200) = ( -0.4038462 0.1553554 0.0000000), wk = 0.0027624 k( 201) = ( -0.4230769 0.1627532 0.0000000), wk = 0.0027624 k( 202) = ( -0.4423077 0.1701511 0.0000000), wk = 0.0027624 k( 203) = ( -0.4615385 0.1775490 0.0000000), wk = 0.0027624 k( 204) = ( -0.4807692 0.1849469 0.0000000), wk = 0.0027624 k( 205) = ( -0.5000000 0.1923447 0.0000000), wk = 0.0027624 k( 206) = ( -0.5000000 0.1923447 0.0000000), wk = 0.0027624 k( 207) = ( -0.4926550 0.2114379 -0.0000000), wk = 0.0027624 k( 208) = ( -0.4853101 0.2305311 -0.0000000), wk = 0.0027624 k( 209) = ( -0.4779652 0.2496243 -0.0000000), wk = 0.0027624 k( 210) = ( -0.4706202 0.2687175 -0.0000000), wk = 0.0027624 k( 211) = ( -0.4632753 0.2878107 -0.0000000), wk = 0.0027624 k( 212) = ( -0.4559303 0.3069039 -0.0000000), wk = 0.0027624 k( 213) = ( -0.4485854 0.3259971 -0.0000000), wk = 0.0027624 k( 214) = ( -0.4412404 0.3450902 -0.0000000), wk = 0.0027624 k( 215) = ( -0.4338955 0.3641834 -0.0000000), wk = 0.0027624 k( 216) = ( -0.4265505 0.3832766 -0.0000000), wk = 0.0027624 k( 217) = ( -0.4192056 0.4023698 -0.0000000), wk = 0.0027624 k( 218) = ( -0.4118606 0.4214630 -0.0000000), wk = 0.0027624 k( 219) = ( -0.4045157 0.4405562 -0.0000000), wk = 0.0027624 k( 220) = ( -0.3971707 0.4596493 -0.0000000), wk = 0.0027624 k( 221) = ( -0.3898258 0.4787425 -0.0000000), wk = 0.0027624 k( 222) = ( -0.3824808 0.4978357 -0.0000000), wk = 0.0027624 k( 223) = ( -0.3751359 0.5169289 -0.0000000), wk = 0.0027624 k( 224) = ( -0.3677909 0.5360221 -0.0000000), wk = 0.0027624 k( 225) = ( -0.3604460 0.5551153 -0.0000000), wk = 0.0027624 k( 226) = ( -0.3531010 0.5742085 -0.0000000), wk = 0.0027624 k( 227) = ( -0.3457561 0.5933017 -0.0000000), wk = 0.0027624 k( 228) = ( -0.3384111 0.6123948 -0.0000000), wk = 0.0027624 k( 229) = ( -0.3310662 0.6314880 -0.0000000), wk = 0.0027624 k( 230) = ( -0.3237212 0.6505812 -0.0000000), wk = 0.0027624 k( 231) = ( -0.3163763 0.6696744 -0.0000000), wk = 0.0027624 k( 232) = ( -0.3090313 0.6887676 -0.0000000), wk = 0.0027624 k( 233) = ( -0.3016864 0.7078608 -0.0000000), wk = 0.0027624 k( 234) = ( -0.2943415 0.7269540 -0.0000000), wk = 0.0027624 k( 235) = ( -0.2869965 0.7460472 -0.0000000), wk = 0.0027624 k( 236) = ( -0.2869965 0.7460472 -0.0000000), wk = 0.0027624 k( 237) = ( -0.2869965 0.7460472 0.0210056), wk = 0.0027624 k( 238) = ( -0.2869965 0.7460472 0.0420112), wk = 0.0027624 k( 239) = ( -0.2869965 0.7460472 0.0630168), wk = 0.0027624 k( 240) = ( -0.2869965 0.7460472 0.0840224), wk = 0.0027624 k( 241) = ( -0.2869965 0.7460472 0.1050279), wk = 0.0027624 k( 242) = ( -0.2869965 0.7460472 0.1260335), wk = 0.0027624 k( 243) = ( -0.2869965 0.7460472 0.1470391), wk = 0.0027624 k( 244) = ( -0.2869965 0.7460472 0.1680447), wk = 0.0027624 k( 245) = ( -0.2869965 0.7460472 0.1890503), wk = 0.0027624 k( 246) = ( -0.2869965 0.7460472 0.2100559), wk = 0.0027624 k( 247) = ( -0.2869965 0.7460472 0.2310615), wk = 0.0027624 k( 248) = ( -0.2869965 0.7460472 0.2520671), wk = 0.0027624 k( 249) = ( -0.2869965 0.7460472 0.2730726), wk = 0.0027624 k( 250) = ( -0.2869965 0.7460472 0.2940782), wk = 0.0027624 k( 251) = ( -0.2869965 0.7460472 0.3150838), wk = 0.0027624 k( 252) = ( -0.2869965 0.7460472 0.3360894), wk = 0.0027624 k( 253) = ( -0.2869965 0.7460472 0.3570950), wk = 0.0027624 k( 254) = ( -0.2869965 0.7460472 0.3781006), wk = 0.0027624 k( 255) = ( -0.2869965 0.7460472 0.3991062), wk = 0.0027624 k( 256) = ( -0.2869965 0.7460472 0.4201118), wk = 0.0027624 k( 257) = ( -0.2869965 0.7460472 0.4411173), wk = 0.0027624 k( 258) = ( -0.2869965 0.7460472 0.4621229), wk = 0.0027624 k( 259) = ( -0.2869965 0.7460472 0.4831285), wk = 0.0027624 k( 260) = ( -0.2869965 0.7460472 0.5041341), wk = 0.0027624 k( 261) = ( -0.2869965 0.7460472 0.5251397), wk = 0.0027624 k( 262) = ( -0.2869965 0.7460472 0.5461453), wk = 0.0027624 k( 263) = ( -0.2869965 0.7460472 0.5671509), wk = 0.0027624 k( 264) = ( -0.2869965 0.7460472 0.5881565), wk = 0.0027624 k( 265) = ( -0.2869965 0.7460472 0.6091620), wk = 0.0027624 k( 266) = ( -0.2869965 0.7460472 0.6301676), wk = 0.0027624 k( 267) = ( -0.2869965 0.7460472 0.6511732), wk = 0.0027624 k( 268) = ( -0.2869965 0.7460472 0.6721788), wk = 0.0027624 k( 269) = ( -0.2869965 0.7460472 0.6931844), wk = 0.0027624 k( 270) = ( -0.2869965 0.7460472 0.7141900), wk = 0.0027624 k( 271) = ( -0.2869965 0.7460472 0.7141900), wk = 0.0027624 k( 272) = ( -0.2943415 0.7269540 0.7141900), wk = 0.0027624 k( 273) = ( -0.3016864 0.7078608 0.7141900), wk = 0.0027624 k( 274) = ( -0.3090313 0.6887676 0.7141900), wk = 0.0027624 k( 275) = ( -0.3163763 0.6696744 0.7141900), wk = 0.0027624 k( 276) = ( -0.3237212 0.6505812 0.7141900), wk = 0.0027624 k( 277) = ( -0.3310662 0.6314880 0.7141900), wk = 0.0027624 k( 278) = ( -0.3384111 0.6123948 0.7141900), wk = 0.0027624 k( 279) = ( -0.3457561 0.5933017 0.7141900), wk = 0.0027624 k( 280) = ( -0.3531010 0.5742085 0.7141900), wk = 0.0027624 k( 281) = ( -0.3604460 0.5551153 0.7141900), wk = 0.0027624 k( 282) = ( -0.3677909 0.5360221 0.7141900), wk = 0.0027624 k( 283) = ( -0.3751359 0.5169289 0.7141900), wk = 0.0027624 k( 284) = ( -0.3824808 0.4978357 0.7141900), wk = 0.0027624 k( 285) = ( -0.3898258 0.4787425 0.7141900), wk = 0.0027624 k( 286) = ( -0.3971707 0.4596493 0.7141900), wk = 0.0027624 k( 287) = ( -0.4045157 0.4405562 0.7141900), wk = 0.0027624 k( 288) = ( -0.4118606 0.4214630 0.7141900), wk = 0.0027624 k( 289) = ( -0.4192056 0.4023698 0.7141900), wk = 0.0027624 k( 290) = ( -0.4265505 0.3832766 0.7141900), wk = 0.0027624 k( 291) = ( -0.4338955 0.3641834 0.7141900), wk = 0.0027624 k( 292) = ( -0.4412404 0.3450902 0.7141900), wk = 0.0027624 k( 293) = ( -0.4485854 0.3259971 0.7141900), wk = 0.0027624 k( 294) = ( -0.4559303 0.3069039 0.7141900), wk = 0.0027624 k( 295) = ( -0.4632753 0.2878107 0.7141900), wk = 0.0027624 k( 296) = ( -0.4706202 0.2687175 0.7141900), wk = 0.0027624 k( 297) = ( -0.4779652 0.2496243 0.7141900), wk = 0.0027624 k( 298) = ( -0.4853101 0.2305311 0.7141900), wk = 0.0027624 k( 299) = ( -0.4926550 0.2114379 0.7141900), wk = 0.0027624 k( 300) = ( -0.5000000 0.1923447 0.7141900), wk = 0.0027624 k( 301) = ( -0.5000000 0.1923447 0.7141900), wk = 0.0027624 k( 302) = ( -0.5000000 0.1923447 0.6931844), wk = 0.0027624 k( 303) = ( -0.5000000 0.1923447 0.6721788), wk = 0.0027624 k( 304) = ( -0.5000000 0.1923447 0.6511732), wk = 0.0027624 k( 305) = ( -0.5000000 0.1923447 0.6301676), wk = 0.0027624 k( 306) = ( -0.5000000 0.1923447 0.6091620), wk = 0.0027624 k( 307) = ( -0.5000000 0.1923447 0.5881565), wk = 0.0027624 k( 308) = ( -0.5000000 0.1923447 0.5671509), wk = 0.0027624 k( 309) = ( -0.5000000 0.1923447 0.5461453), wk = 0.0027624 k( 310) = ( -0.5000000 0.1923447 0.5251397), wk = 0.0027624 k( 311) = ( -0.5000000 0.1923447 0.5041341), wk = 0.0027624 k( 312) = ( -0.5000000 0.1923447 0.4831285), wk = 0.0027624 k( 313) = ( -0.5000000 0.1923447 0.4621229), wk = 0.0027624 k( 314) = ( -0.5000000 0.1923447 0.4411173), wk = 0.0027624 k( 315) = ( -0.5000000 0.1923447 0.4201118), wk = 0.0027624 k( 316) = ( -0.5000000 0.1923447 0.3991062), wk = 0.0027624 k( 317) = ( -0.5000000 0.1923447 0.3781006), wk = 0.0027624 k( 318) = ( -0.5000000 0.1923447 0.3570950), wk = 0.0027624 k( 319) = ( -0.5000000 0.1923447 0.3360894), wk = 0.0027624 k( 320) = ( -0.5000000 0.1923447 0.3150838), wk = 0.0027624 k( 321) = ( -0.5000000 0.1923447 0.2940782), wk = 0.0027624 k( 322) = ( -0.5000000 0.1923447 0.2730726), wk = 0.0027624 k( 323) = ( -0.5000000 0.1923447 0.2520671), wk = 0.0027624 k( 324) = ( -0.5000000 0.1923447 0.2310615), wk = 0.0027624 k( 325) = ( -0.5000000 0.1923447 0.2100559), wk = 0.0027624 k( 326) = ( -0.5000000 0.1923447 0.1890503), wk = 0.0027624 k( 327) = ( -0.5000000 0.1923447 0.1680447), wk = 0.0027624 k( 328) = ( -0.5000000 0.1923447 0.1470391), wk = 0.0027624 k( 329) = ( -0.5000000 0.1923447 0.1260335), wk = 0.0027624 k( 330) = ( -0.5000000 0.1923447 0.1050279), wk = 0.0027624 k( 331) = ( -0.5000000 0.1923447 0.0840224), wk = 0.0027624 k( 332) = ( -0.5000000 0.1923447 0.0630168), wk = 0.0027624 k( 333) = ( -0.5000000 0.1923447 0.0420112), wk = 0.0027624 k( 334) = ( -0.5000000 0.1923447 0.0210056), wk = 0.0027624 k( 335) = ( -0.5000000 0.1923447 0.0000000), wk = 0.0027624 k( 336) = ( 0.0000000 0.0000000 0.7141900), wk = 0.0027624 k( 337) = ( -0.0192308 0.0073979 0.7141900), wk = 0.0027624 k( 338) = ( -0.0384615 0.0147958 0.7141900), wk = 0.0027624 k( 339) = ( -0.0576923 0.0221936 0.7141900), wk = 0.0027624 k( 340) = ( -0.0769231 0.0295915 0.7141900), wk = 0.0027624 k( 341) = ( -0.0961538 0.0369894 0.7141900), wk = 0.0027624 k( 342) = ( -0.1153846 0.0443873 0.7141900), wk = 0.0027624 k( 343) = ( -0.1346154 0.0517851 0.7141900), wk = 0.0027624 k( 344) = ( -0.1538461 0.0591830 0.7141900), wk = 0.0027624 k( 345) = ( -0.1730769 0.0665809 0.7141900), wk = 0.0027624 k( 346) = ( -0.1923077 0.0739787 0.7141900), wk = 0.0027624 k( 347) = ( -0.2115385 0.0813766 0.7141900), wk = 0.0027624 k( 348) = ( -0.2307692 0.0887745 0.7141900), wk = 0.0027624 k( 349) = ( -0.2500000 0.0961724 0.7141900), wk = 0.0027624 k( 350) = ( -0.2692308 0.1035702 0.7141900), wk = 0.0027624 k( 351) = ( -0.2884615 0.1109681 0.7141900), wk = 0.0027624 k( 352) = ( -0.3076923 0.1183660 0.7141900), wk = 0.0027624 k( 353) = ( -0.3269231 0.1257639 0.7141900), wk = 0.0027624 k( 354) = ( -0.3461538 0.1331618 0.7141900), wk = 0.0027624 k( 355) = ( -0.3653846 0.1405596 0.7141900), wk = 0.0027624 k( 356) = ( -0.3846154 0.1479575 0.7141900), wk = 0.0027624 k( 357) = ( -0.4038462 0.1553554 0.7141900), wk = 0.0027624 k( 358) = ( -0.4230769 0.1627532 0.7141900), wk = 0.0027624 k( 359) = ( -0.4423077 0.1701511 0.7141900), wk = 0.0027624 k( 360) = ( -0.4615385 0.1775490 0.7141900), wk = 0.0027624 k( 361) = ( -0.4807692 0.1849469 0.7141900), wk = 0.0027624 k( 362) = ( -0.5000000 0.1923447 0.7141900), wk = 0.0027624 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0075525 0.0075525 0.0000000), wk = 0.0027624 k( 3) = ( 0.0151051 0.0151051 0.0000000), wk = 0.0027624 k( 4) = ( 0.0226576 0.0226576 -0.0000000), wk = 0.0027624 k( 5) = ( 0.0302102 0.0302102 0.0000000), wk = 0.0027624 k( 6) = ( 0.0377627 0.0377627 0.0000000), wk = 0.0027624 k( 7) = ( 0.0453152 0.0453152 -0.0000000), wk = 0.0027624 k( 8) = ( 0.0528678 0.0528678 0.0000000), wk = 0.0027624 k( 9) = ( 0.0604203 0.0604203 0.0000000), wk = 0.0027624 k( 10) = ( 0.0679729 0.0679729 0.0000000), wk = 0.0027624 k( 11) = ( 0.0755254 0.0755254 0.0000000), wk = 0.0027624 k( 12) = ( 0.0830779 0.0830779 0.0000000), wk = 0.0027624 k( 13) = ( 0.0906305 0.0906305 0.0000000), wk = 0.0027624 k( 14) = ( 0.0981830 0.0981830 0.0000000), wk = 0.0027624 k( 15) = ( 0.1057355 0.1057355 0.0000000), wk = 0.0027624 k( 16) = ( 0.1132881 0.1132881 0.0000000), wk = 0.0027624 k( 17) = ( 0.1208406 0.1208406 0.0000000), wk = 0.0027624 k( 18) = ( 0.1283932 0.1283932 0.0000000), wk = 0.0027624 k( 19) = ( 0.1359457 0.1359457 0.0000000), wk = 0.0027624 k( 20) = ( 0.1434982 0.1434982 0.0000000), wk = 0.0027624 k( 21) = ( 0.1510508 0.1510508 -0.0000000), wk = 0.0027624 k( 22) = ( 0.1586033 0.1586033 0.0000000), wk = 0.0027624 k( 23) = ( 0.1661559 0.1661559 0.0000000), wk = 0.0027624 k( 24) = ( 0.1737084 0.1737084 0.0000000), wk = 0.0027624 k( 25) = ( 0.1812610 0.1812610 0.0000000), wk = 0.0027624 k( 26) = ( 0.1888135 0.1888135 0.0000000), wk = 0.0027624 k( 27) = ( 0.1963660 0.1963660 -0.0000000), wk = 0.0027624 k( 28) = ( 0.2039186 0.2039186 0.0000000), wk = 0.0027624 k( 29) = ( 0.2114711 0.2114711 0.0000000), wk = 0.0027624 k( 30) = ( 0.2190236 0.2190237 0.0000000), wk = 0.0027624 k( 31) = ( 0.2265762 0.2265762 0.0000000), wk = 0.0027624 k( 32) = ( 0.2341287 0.2341287 0.0000000), wk = 0.0027624 k( 33) = ( 0.2416813 0.2416813 0.0000000), wk = 0.0027624 k( 34) = ( 0.2492338 0.2492338 0.0000000), wk = 0.0027624 k( 35) = ( 0.2567863 0.2567863 0.0000000), wk = 0.0027624 k( 36) = ( 0.2643389 0.2643389 0.0000000), wk = 0.0027624 k( 37) = ( 0.2718914 0.2718914 0.0000000), wk = 0.0027624 k( 38) = ( 0.2794440 0.2794440 0.0000000), wk = 0.0027624 k( 39) = ( 0.2869965 0.2869965 0.0000000), wk = 0.0027624 k( 40) = ( 0.2869965 0.2869965 0.0000000), wk = 0.0027624 k( 41) = ( 0.2664968 0.3022110 0.0000000), wk = 0.0027624 k( 42) = ( 0.2459970 0.3174256 0.0000000), wk = 0.0027624 k( 43) = ( 0.2254973 0.3326401 0.0000000), wk = 0.0027624 k( 44) = ( 0.2049975 0.3478546 0.0000000), wk = 0.0027624 k( 45) = ( 0.1844977 0.3630692 0.0000000), wk = 0.0027624 k( 46) = ( 0.1639980 0.3782837 0.0000000), wk = 0.0027624 k( 47) = ( 0.1434982 0.3934982 0.0000000), wk = 0.0027624 k( 48) = ( 0.1229985 0.4087128 0.0000000), wk = 0.0027624 k( 49) = ( 0.1024987 0.4239273 0.0000000), wk = 0.0027624 k( 50) = ( 0.0819990 0.4391419 0.0000000), wk = 0.0027624 k( 51) = ( 0.0614992 0.4543564 0.0000000), wk = 0.0027624 k( 52) = ( 0.0409995 0.4695709 0.0000000), wk = 0.0027624 k( 53) = ( 0.0204998 0.4847855 0.0000000), wk = 0.0027624 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027624 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027624 k( 56) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0027624 k( 57) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0027624 k( 58) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0027624 k( 59) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0027624 k( 60) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0027624 k( 61) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0027624 k( 62) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0027624 k( 63) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0027624 k( 64) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0027624 k( 65) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0027624 k( 66) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0027624 k( 67) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0027624 k( 68) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0027624 k( 69) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0027624 k( 70) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0027624 k( 71) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0027624 k( 72) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027624 k( 73) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0027624 k( 74) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0027624 k( 75) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0027624 k( 76) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0027624 k( 77) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0027624 k( 78) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0027624 k( 79) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0027624 k( 80) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0027624 k( 81) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0027624 k( 82) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0027624 k( 83) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0027624 k( 84) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0027624 k( 85) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0027624 k( 86) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0027624 k( 87) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0027624 k( 88) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0027624 k( 89) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027624 k( 90) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027624 k( 91) = ( 0.0204998 0.4847855 0.5000000), wk = 0.0027624 k( 92) = ( 0.0409995 0.4695709 0.5000000), wk = 0.0027624 k( 93) = ( 0.0614992 0.4543564 0.5000000), wk = 0.0027624 k( 94) = ( 0.0819990 0.4391419 0.5000000), wk = 0.0027624 k( 95) = ( 0.1024987 0.4239273 0.5000000), wk = 0.0027624 k( 96) = ( 0.1229985 0.4087128 0.5000000), wk = 0.0027624 k( 97) = ( 0.1434982 0.3934982 0.5000000), wk = 0.0027624 k( 98) = ( 0.1639980 0.3782837 0.5000000), wk = 0.0027624 k( 99) = ( 0.1844977 0.3630692 0.5000000), wk = 0.0027624 k( 100) = ( 0.2049975 0.3478546 0.5000000), wk = 0.0027624 k( 101) = ( 0.2254973 0.3326401 0.5000000), wk = 0.0027624 k( 102) = ( 0.2459970 0.3174256 0.5000000), wk = 0.0027624 k( 103) = ( 0.2664968 0.3022110 0.5000000), wk = 0.0027624 k( 104) = ( 0.2869965 0.2869965 0.5000000), wk = 0.0027624 k( 105) = ( 0.2869965 0.2869965 0.5000000), wk = 0.0027624 k( 106) = ( 0.2794440 0.2794440 0.5000000), wk = 0.0027624 k( 107) = ( 0.2718914 0.2718914 0.5000000), wk = 0.0027624 k( 108) = ( 0.2643389 0.2643389 0.5000000), wk = 0.0027624 k( 109) = ( 0.2567863 0.2567863 0.5000000), wk = 0.0027624 k( 110) = ( 0.2492338 0.2492338 0.5000000), wk = 0.0027624 k( 111) = ( 0.2416813 0.2416813 0.5000000), wk = 0.0027624 k( 112) = ( 0.2341287 0.2341287 0.5000000), wk = 0.0027624 k( 113) = ( 0.2265762 0.2265762 0.5000000), wk = 0.0027624 k( 114) = ( 0.2190236 0.2190237 0.5000000), wk = 0.0027624 k( 115) = ( 0.2114711 0.2114711 0.5000000), wk = 0.0027624 k( 116) = ( 0.2039186 0.2039186 0.5000000), wk = 0.0027624 k( 117) = ( 0.1963660 0.1963660 0.5000000), wk = 0.0027624 k( 118) = ( 0.1888135 0.1888135 0.5000000), wk = 0.0027624 k( 119) = ( 0.1812610 0.1812610 0.5000000), wk = 0.0027624 k( 120) = ( 0.1737084 0.1737084 0.5000000), wk = 0.0027624 k( 121) = ( 0.1661559 0.1661559 0.5000000), wk = 0.0027624 k( 122) = ( 0.1586033 0.1586033 0.5000000), wk = 0.0027624 k( 123) = ( 0.1510508 0.1510508 0.5000000), wk = 0.0027624 k( 124) = ( 0.1434982 0.1434982 0.5000000), wk = 0.0027624 k( 125) = ( 0.1359457 0.1359457 0.5000000), wk = 0.0027624 k( 126) = ( 0.1283932 0.1283932 0.5000000), wk = 0.0027624 k( 127) = ( 0.1208406 0.1208406 0.5000000), wk = 0.0027624 k( 128) = ( 0.1132881 0.1132881 0.5000000), wk = 0.0027624 k( 129) = ( 0.1057355 0.1057355 0.5000000), wk = 0.0027624 k( 130) = ( 0.0981830 0.0981830 0.5000000), wk = 0.0027624 k( 131) = ( 0.0906305 0.0906305 0.5000000), wk = 0.0027624 k( 132) = ( 0.0830779 0.0830779 0.5000000), wk = 0.0027624 k( 133) = ( 0.0755254 0.0755254 0.5000000), wk = 0.0027624 k( 134) = ( 0.0679729 0.0679729 0.5000000), wk = 0.0027624 k( 135) = ( 0.0604203 0.0604203 0.5000000), wk = 0.0027624 k( 136) = ( 0.0528678 0.0528678 0.5000000), wk = 0.0027624 k( 137) = ( 0.0453152 0.0453152 0.5000000), wk = 0.0027624 k( 138) = ( 0.0377627 0.0377627 0.5000000), wk = 0.0027624 k( 139) = ( 0.0302102 0.0302102 0.5000000), wk = 0.0027624 k( 140) = ( 0.0226576 0.0226576 0.5000000), wk = 0.0027624 k( 141) = ( 0.0151051 0.0151051 0.5000000), wk = 0.0027624 k( 142) = ( 0.0075525 0.0075525 0.5000000), wk = 0.0027624 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 145) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0027624 k( 146) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0027624 k( 147) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0027624 k( 148) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0027624 k( 149) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0027624 k( 150) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0027624 k( 151) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0027624 k( 152) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0027624 k( 153) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0027624 k( 154) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0027624 k( 155) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0027624 k( 156) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0027624 k( 157) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0027624 k( 158) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0027624 k( 159) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0027624 k( 160) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0027624 k( 161) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027624 k( 162) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0027624 k( 163) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0027624 k( 164) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0027624 k( 165) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0027624 k( 166) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0027624 k( 167) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0027624 k( 168) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0027624 k( 169) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0027624 k( 170) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0027624 k( 171) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0027624 k( 172) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0027624 k( 173) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0027624 k( 174) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0027624 k( 175) = ( 0.0000000 0.0000000 0.0441176), wk = 0.0027624 k( 176) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0027624 k( 177) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0027624 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 180) = ( -0.0192308 0.0192308 0.0000000), wk = 0.0027624 k( 181) = ( -0.0384615 0.0384615 0.0000000), wk = 0.0027624 k( 182) = ( -0.0576923 0.0576923 0.0000000), wk = 0.0027624 k( 183) = ( -0.0769231 0.0769231 0.0000000), wk = 0.0027624 k( 184) = ( -0.0961538 0.0961538 0.0000000), wk = 0.0027624 k( 185) = ( -0.1153846 0.1153846 0.0000000), wk = 0.0027624 k( 186) = ( -0.1346154 0.1346154 -0.0000000), wk = 0.0027624 k( 187) = ( -0.1538461 0.1538461 -0.0000000), wk = 0.0027624 k( 188) = ( -0.1730769 0.1730769 0.0000000), wk = 0.0027624 k( 189) = ( -0.1923077 0.1923077 -0.0000000), wk = 0.0027624 k( 190) = ( -0.2115385 0.2115385 0.0000000), wk = 0.0027624 k( 191) = ( -0.2307692 0.2307692 -0.0000000), wk = 0.0027624 k( 192) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0027624 k( 193) = ( -0.2692308 0.2692308 -0.0000000), wk = 0.0027624 k( 194) = ( -0.2884615 0.2884615 0.0000000), wk = 0.0027624 k( 195) = ( -0.3076923 0.3076923 -0.0000000), wk = 0.0027624 k( 196) = ( -0.3269231 0.3269231 -0.0000000), wk = 0.0027624 k( 197) = ( -0.3461538 0.3461538 -0.0000000), wk = 0.0027624 k( 198) = ( -0.3653846 0.3653846 0.0000000), wk = 0.0027624 k( 199) = ( -0.3846154 0.3846154 -0.0000000), wk = 0.0027624 k( 200) = ( -0.4038462 0.4038462 -0.0000000), wk = 0.0027624 k( 201) = ( -0.4230769 0.4230769 0.0000000), wk = 0.0027624 k( 202) = ( -0.4423077 0.4423077 -0.0000000), wk = 0.0027624 k( 203) = ( -0.4615385 0.4615385 -0.0000000), wk = 0.0027624 k( 204) = ( -0.4807692 0.4807692 -0.0000000), wk = 0.0027624 k( 205) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 206) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 207) = ( -0.4926550 0.5073450 0.0000000), wk = 0.0027624 k( 208) = ( -0.4853101 0.5146899 -0.0000000), wk = 0.0027624 k( 209) = ( -0.4779652 0.5220348 -0.0000000), wk = 0.0027624 k( 210) = ( -0.4706202 0.5293798 -0.0000000), wk = 0.0027624 k( 211) = ( -0.4632753 0.5367247 -0.0000000), wk = 0.0027624 k( 212) = ( -0.4559303 0.5440697 -0.0000000), wk = 0.0027624 k( 213) = ( -0.4485854 0.5514146 -0.0000000), wk = 0.0027624 k( 214) = ( -0.4412404 0.5587596 0.0000000), wk = 0.0027624 k( 215) = ( -0.4338955 0.5661045 -0.0000000), wk = 0.0027624 k( 216) = ( -0.4265505 0.5734495 -0.0000000), wk = 0.0027624 k( 217) = ( -0.4192056 0.5807944 -0.0000000), wk = 0.0027624 k( 218) = ( -0.4118606 0.5881394 -0.0000000), wk = 0.0027624 k( 219) = ( -0.4045157 0.5954843 -0.0000000), wk = 0.0027624 k( 220) = ( -0.3971707 0.6028293 -0.0000000), wk = 0.0027624 k( 221) = ( -0.3898258 0.6101742 -0.0000000), wk = 0.0027624 k( 222) = ( -0.3824808 0.6175192 0.0000000), wk = 0.0027624 k( 223) = ( -0.3751359 0.6248641 0.0000000), wk = 0.0027624 k( 224) = ( -0.3677909 0.6322091 -0.0000000), wk = 0.0027624 k( 225) = ( -0.3604460 0.6395540 -0.0000000), wk = 0.0027624 k( 226) = ( -0.3531010 0.6468990 -0.0000000), wk = 0.0027624 k( 227) = ( -0.3457561 0.6542439 0.0000000), wk = 0.0027624 k( 228) = ( -0.3384111 0.6615889 -0.0000000), wk = 0.0027624 k( 229) = ( -0.3310662 0.6689338 -0.0000000), wk = 0.0027624 k( 230) = ( -0.3237212 0.6762788 -0.0000000), wk = 0.0027624 k( 231) = ( -0.3163763 0.6836237 0.0000000), wk = 0.0027624 k( 232) = ( -0.3090313 0.6909687 -0.0000000), wk = 0.0027624 k( 233) = ( -0.3016864 0.6983136 -0.0000000), wk = 0.0027624 k( 234) = ( -0.2943415 0.7056585 -0.0000000), wk = 0.0027624 k( 235) = ( -0.2869965 0.7130035 0.0000000), wk = 0.0027624 k( 236) = ( -0.2869965 0.7130035 0.0000000), wk = 0.0027624 k( 237) = ( -0.2869965 0.7130035 0.0147059), wk = 0.0027624 k( 238) = ( -0.2869965 0.7130035 0.0294118), wk = 0.0027624 k( 239) = ( -0.2869965 0.7130035 0.0441177), wk = 0.0027624 k( 240) = ( -0.2869965 0.7130035 0.0588235), wk = 0.0027624 k( 241) = ( -0.2869965 0.7130035 0.0735294), wk = 0.0027624 k( 242) = ( -0.2869965 0.7130035 0.0882353), wk = 0.0027624 k( 243) = ( -0.2869965 0.7130035 0.1029412), wk = 0.0027624 k( 244) = ( -0.2869965 0.7130035 0.1176471), wk = 0.0027624 k( 245) = ( -0.2869965 0.7130035 0.1323529), wk = 0.0027624 k( 246) = ( -0.2869965 0.7130035 0.1470588), wk = 0.0027624 k( 247) = ( -0.2869965 0.7130035 0.1617647), wk = 0.0027624 k( 248) = ( -0.2869965 0.7130035 0.1764706), wk = 0.0027624 k( 249) = ( -0.2869965 0.7130035 0.1911765), wk = 0.0027624 k( 250) = ( -0.2869965 0.7130035 0.2058823), wk = 0.0027624 k( 251) = ( -0.2869965 0.7130035 0.2205882), wk = 0.0027624 k( 252) = ( -0.2869965 0.7130035 0.2352941), wk = 0.0027624 k( 253) = ( -0.2869965 0.7130035 0.2500000), wk = 0.0027624 k( 254) = ( -0.2869965 0.7130035 0.2647059), wk = 0.0027624 k( 255) = ( -0.2869965 0.7130035 0.2794118), wk = 0.0027624 k( 256) = ( -0.2869965 0.7130035 0.2941177), wk = 0.0027624 k( 257) = ( -0.2869965 0.7130035 0.3088235), wk = 0.0027624 k( 258) = ( -0.2869965 0.7130035 0.3235294), wk = 0.0027624 k( 259) = ( -0.2869965 0.7130035 0.3382353), wk = 0.0027624 k( 260) = ( -0.2869965 0.7130035 0.3529412), wk = 0.0027624 k( 261) = ( -0.2869965 0.7130035 0.3676471), wk = 0.0027624 k( 262) = ( -0.2869965 0.7130035 0.3823529), wk = 0.0027624 k( 263) = ( -0.2869965 0.7130035 0.3970588), wk = 0.0027624 k( 264) = ( -0.2869965 0.7130035 0.4117647), wk = 0.0027624 k( 265) = ( -0.2869965 0.7130035 0.4264706), wk = 0.0027624 k( 266) = ( -0.2869965 0.7130035 0.4411765), wk = 0.0027624 k( 267) = ( -0.2869965 0.7130035 0.4558824), wk = 0.0027624 k( 268) = ( -0.2869965 0.7130035 0.4705882), wk = 0.0027624 k( 269) = ( -0.2869965 0.7130035 0.4852941), wk = 0.0027624 k( 270) = ( -0.2869965 0.7130035 0.5000000), wk = 0.0027624 k( 271) = ( -0.2869965 0.7130035 0.5000000), wk = 0.0027624 k( 272) = ( -0.2943415 0.7056585 0.5000000), wk = 0.0027624 k( 273) = ( -0.3016864 0.6983136 0.5000000), wk = 0.0027624 k( 274) = ( -0.3090313 0.6909687 0.5000000), wk = 0.0027624 k( 275) = ( -0.3163763 0.6836237 0.5000000), wk = 0.0027624 k( 276) = ( -0.3237212 0.6762788 0.5000000), wk = 0.0027624 k( 277) = ( -0.3310662 0.6689338 0.5000000), wk = 0.0027624 k( 278) = ( -0.3384111 0.6615889 0.5000000), wk = 0.0027624 k( 279) = ( -0.3457561 0.6542439 0.5000000), wk = 0.0027624 k( 280) = ( -0.3531010 0.6468990 0.5000000), wk = 0.0027624 k( 281) = ( -0.3604460 0.6395540 0.5000000), wk = 0.0027624 k( 282) = ( -0.3677909 0.6322091 0.5000000), wk = 0.0027624 k( 283) = ( -0.3751359 0.6248641 0.5000000), wk = 0.0027624 k( 284) = ( -0.3824808 0.6175192 0.5000000), wk = 0.0027624 k( 285) = ( -0.3898258 0.6101742 0.5000000), wk = 0.0027624 k( 286) = ( -0.3971707 0.6028293 0.5000000), wk = 0.0027624 k( 287) = ( -0.4045157 0.5954843 0.5000000), wk = 0.0027624 k( 288) = ( -0.4118606 0.5881394 0.5000000), wk = 0.0027624 k( 289) = ( -0.4192056 0.5807944 0.5000000), wk = 0.0027624 k( 290) = ( -0.4265505 0.5734495 0.5000000), wk = 0.0027624 k( 291) = ( -0.4338955 0.5661045 0.5000000), wk = 0.0027624 k( 292) = ( -0.4412404 0.5587596 0.5000000), wk = 0.0027624 k( 293) = ( -0.4485854 0.5514146 0.5000000), wk = 0.0027624 k( 294) = ( -0.4559303 0.5440697 0.5000000), wk = 0.0027624 k( 295) = ( -0.4632753 0.5367247 0.5000000), wk = 0.0027624 k( 296) = ( -0.4706202 0.5293798 0.5000000), wk = 0.0027624 k( 297) = ( -0.4779652 0.5220348 0.5000000), wk = 0.0027624 k( 298) = ( -0.4853101 0.5146899 0.5000000), wk = 0.0027624 k( 299) = ( -0.4926550 0.5073450 0.5000000), wk = 0.0027624 k( 300) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027624 k( 301) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027624 k( 302) = ( -0.5000000 0.5000000 0.4852941), wk = 0.0027624 k( 303) = ( -0.5000000 0.5000000 0.4705882), wk = 0.0027624 k( 304) = ( -0.5000000 0.5000000 0.4558823), wk = 0.0027624 k( 305) = ( -0.5000000 0.5000000 0.4411765), wk = 0.0027624 k( 306) = ( -0.5000000 0.5000000 0.4264706), wk = 0.0027624 k( 307) = ( -0.5000000 0.5000000 0.4117647), wk = 0.0027624 k( 308) = ( -0.5000000 0.5000000 0.3970588), wk = 0.0027624 k( 309) = ( -0.5000000 0.5000000 0.3823529), wk = 0.0027624 k( 310) = ( -0.5000000 0.5000000 0.3676471), wk = 0.0027624 k( 311) = ( -0.5000000 0.5000000 0.3529412), wk = 0.0027624 k( 312) = ( -0.5000000 0.5000000 0.3382353), wk = 0.0027624 k( 313) = ( -0.5000000 0.5000000 0.3235294), wk = 0.0027624 k( 314) = ( -0.5000000 0.5000000 0.3088235), wk = 0.0027624 k( 315) = ( -0.5000000 0.5000000 0.2941177), wk = 0.0027624 k( 316) = ( -0.5000000 0.5000000 0.2794118), wk = 0.0027624 k( 317) = ( -0.5000000 0.5000000 0.2647059), wk = 0.0027624 k( 318) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0027624 k( 319) = ( -0.5000000 0.5000000 0.2352941), wk = 0.0027624 k( 320) = ( -0.5000000 0.5000000 0.2205882), wk = 0.0027624 k( 321) = ( -0.5000000 0.5000000 0.2058823), wk = 0.0027624 k( 322) = ( -0.5000000 0.5000000 0.1911765), wk = 0.0027624 k( 323) = ( -0.5000000 0.5000000 0.1764706), wk = 0.0027624 k( 324) = ( -0.5000000 0.5000000 0.1617647), wk = 0.0027624 k( 325) = ( -0.5000000 0.5000000 0.1470588), wk = 0.0027624 k( 326) = ( -0.5000000 0.5000000 0.1323529), wk = 0.0027624 k( 327) = ( -0.5000000 0.5000000 0.1176471), wk = 0.0027624 k( 328) = ( -0.5000000 0.5000000 0.1029412), wk = 0.0027624 k( 329) = ( -0.5000000 0.5000000 0.0882353), wk = 0.0027624 k( 330) = ( -0.5000000 0.5000000 0.0735294), wk = 0.0027624 k( 331) = ( -0.5000000 0.5000000 0.0588235), wk = 0.0027624 k( 332) = ( -0.5000000 0.5000000 0.0441176), wk = 0.0027624 k( 333) = ( -0.5000000 0.5000000 0.0294118), wk = 0.0027624 k( 334) = ( -0.5000000 0.5000000 0.0147059), wk = 0.0027624 k( 335) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 336) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 337) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0027624 k( 338) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0027624 k( 339) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0027624 k( 340) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0027624 k( 341) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0027624 k( 342) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0027624 k( 343) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0027624 k( 344) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0027624 k( 345) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0027624 k( 346) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0027624 k( 347) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0027624 k( 348) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0027624 k( 349) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0027624 k( 350) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0027624 k( 351) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0027624 k( 352) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0027624 k( 353) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0027624 k( 354) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0027624 k( 355) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0027624 k( 356) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0027624 k( 357) = ( -0.4038462 0.4038462 0.5000000), wk = 0.0027624 k( 358) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0027624 k( 359) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0027624 k( 360) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0027624 k( 361) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0027624 k( 362) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027624 Dense grid: 49583 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 32559 G-vectors FFT dimensions: ( 54, 54, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 176, 48) NL pseudopotentials 0.18 Mb ( 88, 136) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1034) G-vector shells 0.00 Mb ( 506) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 176, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.20 Mb ( 136, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./InI.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.8 secs Computing kpt #: 2 total cpu time spent up to now is 44.5 secs Computing kpt #: 3 total cpu time spent up to now is 46.0 secs Computing kpt #: 4 total cpu time spent up to now is 47.6 secs Computing kpt #: 5 total cpu time spent up to now is 49.1 secs Computing kpt #: 6 total cpu time spent up to now is 50.5 secs Computing kpt #: 7 total cpu time spent up to now is 52.4 secs Computing kpt #: 8 total cpu time spent up to now is 54.0 secs Computing kpt #: 9 total cpu time spent up to now is 55.5 secs Computing kpt #: 10 total cpu time spent up to now is 57.2 secs Computing kpt #: 11 total cpu time spent up to now is 58.8 secs Computing kpt #: 12 total cpu time spent up to now is 60.3 secs Computing kpt #: 13 total cpu time spent up to now is 61.9 secs Computing kpt #: 14 total cpu time spent up to now is 63.5 secs Computing kpt #: 15 total cpu time spent up to now is 65.1 secs Computing kpt #: 16 total cpu time spent up to now is 66.5 secs Computing kpt #: 17 total cpu time spent up to now is 68.0 secs Computing kpt #: 18 total cpu time spent up to now is 69.5 secs Computing kpt #: 19 total cpu time spent up to now is 71.0 secs Computing kpt #: 20 total cpu time spent up to now is 72.6 secs Computing kpt #: 21 total cpu time spent up to now is 74.0 secs Computing kpt #: 22 total cpu time spent up to now is 75.5 secs Computing kpt #: 23 total cpu time spent up to now is 76.9 secs Computing kpt #: 24 total cpu time spent up to now is 78.4 secs Computing kpt #: 25 total cpu time spent up to now is 79.9 secs Computing kpt #: 26 total cpu time spent up to now is 81.4 secs Computing kpt #: 27 total cpu time spent up to now is 82.7 secs Computing kpt #: 28 total cpu time spent up to now is 84.1 secs Computing kpt #: 29 total cpu time spent up to now is 85.4 secs Computing kpt #: 30 total cpu time spent up to now is 86.7 secs Computing kpt #: 31 total cpu time spent up to now is 88.3 secs Computing kpt #: 32 total cpu time spent up to now is 89.6 secs Computing kpt #: 33 total cpu time spent up to now is 90.9 secs Computing kpt #: 34 total cpu time spent up to now is 92.0 secs Computing kpt #: 35 total cpu time spent up to now is 93.1 secs Computing kpt #: 36 total cpu time spent up to now is 94.2 secs Computing kpt #: 37 total cpu time spent up to now is 95.4 secs Computing kpt #: 38 total cpu time spent up to now is 96.5 secs Computing kpt #: 39 total cpu time spent up to now is 97.7 secs Computing kpt #: 40 total cpu time spent up to now is 98.8 secs Computing kpt #: 41 total cpu time spent up to now is 99.9 secs Computing kpt #: 42 total cpu time spent up to now is 101.0 secs Computing kpt #: 43 total cpu time spent up to now is 102.2 secs Computing kpt #: 44 total cpu time spent up to now is 103.5 secs Computing kpt #: 45 total cpu time spent up to now is 105.1 secs Computing kpt #: 46 total cpu time spent up to now is 106.3 secs Computing kpt #: 47 total cpu time spent up to now is 107.4 secs Computing kpt #: 48 total cpu time spent up to now is 108.5 secs Computing kpt #: 49 total cpu time spent up to now is 109.7 secs Computing kpt #: 50 total cpu time spent up to now is 110.8 secs Computing kpt #: 51 total cpu time spent up to now is 112.0 secs Computing kpt #: 52 total cpu time spent up to now is 113.2 secs Computing kpt #: 53 total cpu time spent up to now is 114.3 secs Computing kpt #: 54 total cpu time spent up to now is 115.5 secs Computing kpt #: 55 total cpu time spent up to now is 116.7 secs Computing kpt #: 56 total cpu time spent up to now is 117.8 secs Computing kpt #: 57 total cpu time spent up to now is 119.1 secs Computing kpt #: 58 total cpu time spent up to now is 120.4 secs Computing kpt #: 59 total cpu time spent up to now is 121.7 secs Computing kpt #: 60 total cpu time spent up to now is 123.1 secs Computing kpt #: 61 total cpu time spent up to now is 124.4 secs Computing kpt #: 62 total cpu time spent up to now is 125.6 secs Computing kpt #: 63 total cpu time spent up to now is 127.1 secs Computing kpt #: 64 total cpu time spent up to now is 128.4 secs Computing kpt #: 65 total cpu time spent up to now is 129.6 secs Computing kpt #: 66 total cpu time spent up to now is 131.3 secs Computing kpt #: 67 total cpu time spent up to now is 132.5 secs Computing kpt #: 68 total cpu time spent up to now is 133.6 secs Computing kpt #: 69 total cpu time spent up to now is 134.8 secs Computing kpt #: 70 total cpu time spent up to now is 136.1 secs Computing kpt #: 71 total cpu time spent up to now is 137.5 secs Computing kpt #: 72 total cpu time spent up to now is 138.9 secs Computing kpt #: 73 total cpu time spent up to now is 140.2 secs Computing kpt #: 74 total cpu time spent up to now is 141.5 secs Computing kpt #: 75 total cpu time spent up to now is 142.8 secs Computing kpt #: 76 total cpu time spent up to now is 144.2 secs Computing kpt #: 77 total cpu time spent up to now is 145.5 secs Computing kpt #: 78 total cpu time spent up to now is 146.8 secs Computing kpt #: 79 total cpu time spent up to now is 148.2 secs Computing kpt #: 80 total cpu time spent up to now is 149.6 secs Computing kpt #: 81 total cpu time spent up to now is 151.0 secs Computing kpt #: 82 total cpu time spent up to now is 152.3 secs Computing kpt #: 83 total cpu time spent up to now is 153.6 secs Computing kpt #: 84 total cpu time spent up to now is 155.0 secs Computing kpt #: 85 total cpu time spent up to now is 156.3 secs Computing kpt #: 86 total cpu time spent up to now is 157.7 secs Computing kpt #: 87 total cpu time spent up to now is 159.0 secs Computing kpt #: 88 total cpu time spent up to now is 160.4 secs Computing kpt #: 89 total cpu time spent up to now is 161.7 secs Computing kpt #: 90 total cpu time spent up to now is 163.0 secs Computing kpt #: 91 total cpu time spent up to now is 164.3 secs Computing kpt #: 92 total cpu time spent up to now is 165.8 secs Computing kpt #: 93 total cpu time spent up to now is 167.2 secs Computing kpt #: 94 total cpu time spent up to now is 168.8 secs Computing kpt #: 95 total cpu time spent up to now is 170.1 secs Computing kpt #: 96 total cpu time spent up to now is 171.5 secs Computing kpt #: 97 total cpu time spent up to now is 173.2 secs Computing kpt #: 98 total cpu time spent up to now is 174.5 secs Computing kpt #: 99 total cpu time spent up to now is 175.9 secs Computing kpt #: 100 total cpu time spent up to now is 177.1 secs Computing kpt #: 101 total cpu time spent up to now is 178.7 secs Computing kpt #: 102 total cpu time spent up to now is 180.0 secs Computing kpt #: 103 total cpu time spent up to now is 181.4 secs Computing kpt #: 104 total cpu time spent up to now is 182.6 secs Computing kpt #: 105 total cpu time spent up to now is 183.9 secs Computing kpt #: 106 total cpu time spent up to now is 185.3 secs Computing kpt #: 107 total cpu time spent up to now is 186.6 secs Computing kpt #: 108 total cpu time spent up to now is 187.9 secs Computing kpt #: 109 total cpu time spent up to now is 189.2 secs Computing kpt #: 110 total cpu time spent up to now is 190.4 secs Computing kpt #: 111 total cpu time spent up to now is 191.8 secs Computing kpt #: 112 total cpu time spent up to now is 193.1 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kpt #: 143 total cpu time spent up to now is 234.4 secs Computing kpt #: 144 total cpu time spent up to now is 235.6 secs Computing kpt #: 145 total cpu time spent up to now is 236.8 secs Computing kpt #: 146 total cpu time spent up to now is 238.2 secs Computing kpt #: 147 total cpu time spent up to now is 239.5 secs Computing kpt #: 148 total cpu time spent up to now is 240.6 secs Computing kpt #: 149 total cpu time spent up to now is 241.8 secs Computing kpt #: 150 total cpu time spent up to now is 243.1 secs Computing kpt #: 151 total cpu time spent up to now is 244.3 secs Computing kpt #: 152 total cpu time spent up to now is 245.6 secs Computing kpt #: 153 total cpu time spent up to now is 246.8 secs Computing kpt #: 154 total cpu time spent up to now is 248.0 secs Computing kpt #: 155 total cpu time spent up to now is 249.3 secs Computing kpt #: 156 total cpu time spent up to now is 250.5 secs Computing kpt #: 157 total cpu time spent up to now is 251.8 secs Computing kpt #: 158 total cpu time spent up to now is 253.1 secs Computing kpt #: 159 total cpu time spent up to now is 254.9 secs Computing kpt #: 160 total cpu time spent up to now is 256.2 secs Computing kpt #: 161 total cpu time spent up to now is 257.6 secs Computing kpt #: 162 total cpu time spent up to now is 258.9 secs Computing kpt #: 163 total cpu time spent up to now is 260.3 secs Computing kpt #: 164 total cpu time spent up to now is 261.7 secs Computing kpt #: 165 total cpu time spent up to now is 263.1 secs Computing kpt #: 166 total cpu time spent up to now is 264.9 secs Computing kpt #: 167 total cpu time spent up to now is 266.4 secs Computing kpt #: 168 total cpu time spent up to now is 267.9 secs Computing kpt #: 169 total cpu time spent up to now is 269.6 secs Computing kpt #: 170 total cpu time spent up to now is 271.1 secs Computing kpt #: 171 total cpu time spent up to now is 272.7 secs Computing kpt #: 172 total cpu time spent up to now is 274.2 secs Computing kpt #: 173 total cpu time spent up to now is 275.6 secs Computing kpt #: 174 total cpu time spent up to now is 277.3 secs Computing kpt #: 175 total cpu time spent up to now is 278.8 secs Computing kpt #: 176 total cpu time spent up to now is 280.5 secs Computing kpt #: 177 total cpu time spent up to now is 281.9 secs Computing kpt #: 178 total cpu time spent up to now is 283.4 secs Computing kpt #: 179 total cpu time spent up to now is 284.9 secs Computing kpt #: 180 total cpu time spent up to now is 286.4 secs Computing kpt #: 181 total cpu time spent up to now is 287.9 secs Computing kpt #: 182 total cpu time spent up to now is 289.3 secs Computing kpt #: 183 total cpu time spent up to now is 290.8 secs Computing kpt #: 184 total cpu time spent up to now is 292.3 secs Computing kpt #: 185 total cpu time spent up to now is 294.1 secs Computing kpt #: 186 total cpu time spent up to now is 295.7 secs Computing kpt #: 187 total cpu time spent up to now is 297.1 secs Computing kpt #: 188 total cpu time spent up to now is 298.5 secs Computing kpt #: 189 total cpu time spent up to now is 299.8 secs Computing kpt #: 190 total cpu time spent up to now is 301.3 secs Computing kpt #: 191 total cpu time spent up to now is 302.6 secs Computing kpt #: 192 total cpu time spent up to now is 304.3 secs Computing kpt #: 193 total cpu time spent up to now is 305.7 secs Computing kpt #: 194 total cpu time spent up to now is 307.1 secs Computing kpt #: 195 total cpu time spent up to now is 308.5 secs Computing kpt #: 196 total cpu time spent up to now is 309.9 secs Computing kpt #: 197 total cpu time spent up to now is 311.3 secs Computing kpt #: 198 total cpu time spent up to now is 312.7 secs Computing kpt #: 199 total cpu time spent up to now is 314.3 secs Computing kpt #: 200 total cpu time spent up to now is 315.7 secs Computing kpt #: 201 total cpu time spent up to now is 317.2 secs Computing kpt #: 202 total cpu time spent up to now is 319.1 secs Computing kpt #: 203 total cpu time spent up to now is 321.1 secs Computing kpt #: 204 total cpu time spent up to now is 322.9 secs Computing kpt #: 205 total cpu time spent up to now is 324.7 secs Computing kpt #: 206 total cpu time spent up to now is 326.4 secs Computing kpt #: 207 total cpu time spent up to now is 328.2 secs Computing kpt #: 208 total cpu time spent up to now is 330.1 secs Computing kpt #: 209 total cpu time spent up to now is 331.8 secs Computing kpt #: 210 total cpu time spent up to now is 333.8 secs Computing kpt #: 211 total cpu time spent up to now is 335.5 secs Computing kpt #: 212 total cpu time spent up to now is 337.3 secs Computing kpt #: 213 total cpu time spent up to now is 339.2 secs Computing kpt #: 214 total cpu time spent up to now is 340.8 secs Computing kpt #: 215 total cpu time spent up to now is 342.5 secs Computing kpt #: 216 total cpu time spent up to now is 344.1 secs Computing kpt #: 217 total cpu time spent up to now is 345.6 secs Computing kpt #: 218 total cpu time spent up to now is 347.2 secs Computing kpt #: 219 total cpu time spent up to now is 348.6 secs Computing kpt #: 220 total cpu time spent up to now is 349.9 secs Computing kpt #: 221 total cpu time spent up to now is 351.3 secs Computing kpt #: 222 total cpu time spent up to now is 352.8 secs Computing kpt #: 223 total cpu time spent up to now is 354.3 secs Computing kpt #: 224 total cpu time spent up to now is 355.6 secs Computing kpt #: 225 total cpu time spent up to now is 356.9 secs Computing kpt #: 226 total cpu time spent up to now is 358.2 secs Computing kpt #: 227 total cpu time spent up to now is 359.4 secs Computing kpt #: 228 total cpu time spent up to now is 360.6 secs Computing kpt #: 229 total cpu time spent up to now is 361.9 secs Computing kpt #: 230 total cpu time spent up to now is 363.0 secs Computing kpt #: 231 total cpu time spent up to now is 364.1 secs Computing kpt #: 232 total cpu time spent up to now is 365.3 secs Computing kpt #: 233 total cpu time spent up to now is 366.4 secs Computing kpt #: 234 total cpu time spent up to now is 367.6 secs Computing kpt #: 235 total cpu time spent up to now is 368.7 secs Computing kpt #: 236 total cpu time spent up to now is 369.8 secs Computing kpt #: 237 total cpu time spent up to now is 370.9 secs Computing kpt #: 238 total cpu time spent up to now is 372.1 secs Computing kpt #: 239 total cpu time spent up to now is 373.3 secs Computing kpt #: 240 total cpu time spent up to now is 374.5 secs Computing kpt #: 241 total cpu time spent up to now is 375.7 secs Computing kpt #: 242 total cpu time spent up to now is 377.0 secs Computing kpt #: 243 total cpu time spent up to now is 378.7 secs Computing kpt #: 244 total cpu time spent up to now is 379.9 secs Computing kpt #: 245 total cpu time spent up to now is 381.1 secs Computing kpt #: 246 total cpu time spent up to now is 382.4 secs Computing kpt #: 247 total cpu time spent up to now is 383.7 secs Computing kpt #: 248 total cpu time spent up to now is 384.9 secs Computing kpt #: 249 total cpu time spent up to now is 386.4 secs Computing kpt #: 250 total cpu time spent up to now is 387.8 secs Computing kpt #: 251 total cpu time spent up to now is 389.0 secs Computing kpt #: 252 total cpu time spent up to now is 390.3 secs Computing kpt #: 253 total cpu time spent up to now is 391.6 secs Computing kpt #: 254 total cpu time spent up to now is 392.9 secs Computing kpt #: 255 total cpu time spent up to now is 394.2 secs Computing kpt #: 256 total cpu time spent up to now is 395.5 secs Computing kpt #: 257 total cpu time spent up to now is 397.4 secs Computing kpt #: 258 total cpu time spent up to now is 398.9 secs Computing kpt #: 259 total cpu time spent up to now is 400.5 secs Computing kpt #: 260 total cpu time spent up to now is 401.9 secs Computing kpt #: 261 total cpu time spent up to now is 403.2 secs Computing kpt #: 262 total cpu time spent up to now is 404.6 secs Computing kpt #: 263 total cpu time spent up to now is 405.9 secs Computing kpt #: 264 total cpu time spent up to now is 407.2 secs Computing kpt #: 265 total cpu time spent up to now is 408.8 secs Computing kpt #: 266 total cpu time spent up to now is 410.1 secs Computing kpt #: 267 total cpu time spent up to now is 411.4 secs Computing kpt #: 268 total cpu time spent up to now is 412.7 secs Computing kpt #: 269 total cpu time spent up to now is 413.9 secs Computing kpt #: 270 total cpu time spent up to now is 415.2 secs Computing kpt #: 271 total cpu time spent up to now is 416.6 secs Computing kpt #: 272 total cpu time spent up to now is 418.0 secs Computing kpt #: 273 total cpu time spent up to now is 419.4 secs Computing kpt #: 274 total cpu time spent up to now is 420.7 secs Computing kpt #: 275 total cpu time spent up to now is 422.0 secs Computing kpt #: 276 total cpu time spent up to now is 423.3 secs Computing kpt #: 277 total cpu time spent up to now is 424.9 secs Computing kpt #: 278 total cpu time spent up to now is 426.4 secs Computing kpt #: 279 total cpu time spent up to now is 427.8 secs Computing kpt #: 280 total cpu time spent up to now is 429.2 secs Computing kpt #: 281 total cpu time spent up to now is 430.7 secs Computing kpt #: 282 total cpu time spent up to now is 432.1 secs Computing kpt #: 283 total cpu time spent up to now is 433.5 secs Computing kpt #: 284 total cpu time spent up to now is 435.1 secs Computing kpt #: 285 total cpu time spent up to now is 436.5 secs Computing kpt #: 286 total cpu time spent up to now is 438.0 secs Computing kpt #: 287 total cpu time spent up to now is 439.4 secs Computing kpt #: 288 total cpu time spent up to now is 440.8 secs Computing kpt #: 289 total cpu time spent up to now is 442.1 secs Computing kpt #: 290 total cpu time spent up to now is 443.4 secs Computing kpt #: 291 total cpu time spent up to now is 444.8 secs Computing kpt #: 292 total cpu time spent up to now is 446.3 secs Computing kpt #: 293 total cpu time spent up to now is 447.7 secs Computing kpt #: 294 total cpu time spent up to now is 449.1 secs Computing kpt #: 295 total cpu time spent up to now is 450.4 secs Computing kpt #: 296 total cpu time spent up to now is 451.7 secs Computing kpt #: 297 total cpu time spent up to now is 453.3 secs Computing kpt #: 298 total cpu time spent up to now is 454.5 secs Computing kpt #: 299 total cpu time spent up to now is 455.7 secs Computing kpt #: 300 total cpu time spent up to now is 456.9 secs Computing kpt #: 301 total cpu time spent up to now is 458.2 secs Computing kpt #: 302 total cpu time spent up to now is 459.4 secs Computing kpt #: 303 total cpu time spent up to now is 460.7 secs Computing kpt #: 304 total cpu time spent up to now is 462.1 secs Computing kpt #: 305 total cpu time spent up to now is 463.4 secs Computing kpt #: 306 total cpu time spent up to now is 464.8 secs Computing kpt #: 307 total cpu time spent up to now is 466.2 secs Computing kpt #: 308 total cpu time spent up to now is 467.6 secs Computing kpt #: 309 total cpu time spent up to now is 469.0 secs Computing kpt #: 310 total cpu time spent up to now is 470.5 secs Computing kpt #: 311 total cpu time spent up to now is 471.9 secs Computing kpt #: 312 total cpu time spent up to now is 473.3 secs Computing kpt #: 313 total cpu time spent up to now is 474.6 secs Computing kpt #: 314 total cpu time spent up to now is 476.3 secs Computing kpt #: 315 total cpu time spent up to now is 477.8 secs Computing kpt #: 316 total cpu time spent up to now is 479.3 secs Computing kpt #: 317 total cpu time spent up to now is 480.7 secs Computing kpt #: 318 total cpu time spent up to now is 482.2 secs Computing kpt #: 319 total cpu time spent up to now is 483.6 secs Computing kpt #: 320 total cpu time spent up to now is 485.2 secs Computing kpt #: 321 total cpu time spent up to now is 486.6 secs Computing kpt #: 322 total cpu time spent up to now is 488.0 secs Computing kpt #: 323 total cpu time spent up to now is 489.4 secs Computing kpt #: 324 total cpu time spent up to now is 490.9 secs Computing kpt #: 325 total cpu time spent up to now is 492.4 secs Computing kpt #: 326 total cpu time spent up to now is 493.9 secs Computing kpt #: 327 total cpu time spent up to now is 495.5 secs Computing kpt #: 328 total cpu time spent up to now is 497.4 secs Computing kpt #: 329 total cpu time spent up to now is 499.1 secs Computing kpt #: 330 total cpu time spent up to now is 501.0 secs Computing kpt #: 331 total cpu time spent up to now is 502.7 secs Computing kpt #: 332 total cpu time spent up to now is 504.5 secs Computing kpt #: 333 total cpu time spent up to now is 506.1 secs Computing kpt #: 334 total cpu time spent up to now is 507.9 secs Computing kpt #: 335 total cpu time spent up to now is 509.7 secs Computing kpt #: 336 total cpu time spent up to now is 510.9 secs Computing kpt #: 337 total cpu time spent up to now is 512.2 secs Computing kpt #: 338 total cpu time spent up to now is 513.3 secs Computing kpt #: 339 total cpu time spent up to now is 514.5 secs Computing kpt #: 340 total cpu time spent up to now is 515.6 secs Computing kpt #: 341 total cpu time spent up to now is 516.9 secs Computing kpt #: 342 total cpu time spent up to now is 518.3 secs Computing kpt #: 343 total cpu time spent up to now is 519.5 secs Computing kpt #: 344 total cpu time spent up to now is 520.6 secs Computing kpt #: 345 total cpu time spent up to now is 521.7 secs Computing kpt #: 346 total cpu time spent up to now is 522.9 secs Computing kpt #: 347 total cpu time spent up to now is 524.4 secs Computing kpt #: 348 total cpu time spent up to now is 525.6 secs Computing kpt #: 349 total cpu time spent up to now is 526.8 secs Computing kpt #: 350 total cpu time spent up to now is 528.0 secs Computing kpt #: 351 total cpu time spent up to now is 529.5 secs Computing kpt #: 352 total cpu time spent up to now is 531.0 secs Computing kpt #: 353 total cpu time spent up to now is 532.3 secs Computing kpt #: 354 total cpu time spent up to now is 533.5 secs Computing kpt #: 355 total cpu time spent up to now is 534.6 secs Computing kpt #: 356 total cpu time spent up to now is 535.8 secs Computing kpt #: 357 total cpu time spent up to now is 537.4 secs Computing kpt #: 358 total cpu time spent up to now is 538.6 secs Computing kpt #: 359 total cpu time spent up to now is 539.8 secs Computing kpt #: 360 total cpu time spent up to now is 541.0 secs Computing kpt #: 361 total cpu time spent up to now is 542.2 secs Computing kpt #: 362 total cpu time spent up to now is 543.4 secs ethr = 2.50E-11, avg # of iterations = 23.9 total cpu time spent up to now is 543.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4075 PWs) bands (ev): -8.2236 -8.2236 -8.2173 -8.2173 -8.2037 -8.2037 -8.1978 -8.1978 -7.4220 -7.4220 -7.3905 -7.3905 -7.3625 -7.3625 -7.3421 -7.3421 -7.3072 -7.3072 -7.2902 -7.2902 -6.7131 -6.7131 -5.8428 -5.8428 1.5012 1.5012 2.4914 2.4914 2.7331 2.7331 3.1369 3.1369 3.5646 3.5646 3.6707 3.6707 4.5684 4.5684 5.5343 5.5343 9.8337 9.8337 9.9678 9.9678 9.9921 9.9921 10.2020 10.2020 k = 0.0076 0.0196-0.0000 ( 4083 PWs) bands (ev): -8.2237 -8.2237 -8.2172 -8.2172 -8.2037 -8.2037 -8.1978 -8.1978 -7.4220 -7.4220 -7.3905 -7.3905 -7.3625 -7.3625 -7.3421 -7.3421 -7.3072 -7.3072 -7.2902 -7.2902 -6.7126 -6.7126 -5.8430 -5.8430 1.5001 1.5001 2.4821 2.4821 2.7243 2.7243 3.1399 3.1399 3.5741 3.5741 3.6793 3.6793 4.5703 4.5703 5.5346 5.5346 9.7940 9.7940 9.9699 9.9699 10.0070 10.0070 10.2208 10.2208 k = 0.0151 0.0393-0.0000 ( 4073 PWs) bands (ev): -8.2237 -8.2237 -8.2171 -8.2171 -8.2036 -8.2036 -8.1978 -8.1978 -7.4219 -7.4219 -7.3905 -7.3905 -7.3624 -7.3624 -7.3420 -7.3420 -7.3072 -7.3072 -7.2902 -7.2902 -6.7109 -6.7109 -5.8434 -5.8434 1.4966 1.4966 2.4553 2.4553 2.6994 2.6994 3.1481 3.1481 3.6006 3.6006 3.7051 3.7051 4.5763 4.5763 5.5353 5.5353 9.7112 9.7112 9.9594 9.9594 10.0384 10.0384 10.2709 10.2709 k = 0.0227 0.0589-0.0000 ( 4057 PWs) bands (ev): -8.2237 -8.2237 -8.2170 -8.2170 -8.2035 -8.2035 -8.1978 -8.1978 -7.4217 -7.4217 -7.3905 -7.3905 -7.3624 -7.3624 -7.3420 -7.3420 -7.3073 -7.3073 -7.2902 -7.2902 -6.7082 -6.7082 -5.8441 -5.8441 1.4902 1.4902 2.4146 2.4146 2.6620 2.6620 3.1599 3.1599 3.6391 3.6391 3.7476 3.7476 4.5865 4.5865 5.5365 5.5365 9.6127 9.6127 9.9390 9.9390 10.0702 10.0702 10.3383 10.3383 k = 0.0302 0.0785-0.0000 ( 4053 PWs) bands (ev): -8.2238 -8.2238 -8.2168 -8.2168 -8.2034 -8.2034 -8.1978 -8.1978 -7.4215 -7.4215 -7.3905 -7.3905 -7.3624 -7.3624 -7.3419 -7.3419 -7.3075 -7.3075 -7.2901 -7.2901 -6.7045 -6.7045 -5.8452 -5.8452 1.4804 1.4804 2.3643 2.3643 2.6160 2.6160 3.1741 3.1741 3.6844 3.6844 3.8053 3.8053 4.6012 4.6012 5.5382 5.5382 9.5067 9.5067 9.9101 9.9101 10.1037 10.1037 10.4117 10.4117 k = 0.0378 0.0982-0.0000 ( 4053 PWs) bands (ev): -8.2238 -8.2238 -8.2165 -8.2165 -8.2033 -8.2033 -8.1979 -8.1979 -7.4212 -7.4212 -7.3905 -7.3905 -7.3623 -7.3623 -7.3418 -7.3418 -7.3076 -7.3076 -7.2901 -7.2901 -6.6997 -6.6997 -5.8465 -5.8465 1.4661 1.4661 2.3091 2.3091 2.5646 2.5646 3.1900 3.1900 3.7332 3.7332 3.8747 3.8747 4.6212 4.6212 5.5405 5.5405 9.3961 9.3961 9.8732 9.8732 10.1413 10.1413 10.4846 10.4846 k = 0.0453 0.1178-0.0000 ( 4051 PWs) bands (ev): -8.2239 -8.2239 -8.2162 -8.2162 -8.2032 -8.2032 -8.1979 -8.1979 -7.4209 -7.4209 -7.3904 -7.3904 -7.3622 -7.3622 -7.3416 -7.3416 -7.3078 -7.3078 -7.2901 -7.2901 -6.6939 -6.6939 -5.8482 -5.8482 1.4462 1.4462 2.2530 2.2530 2.5099 2.5099 3.2074 3.2074 3.7837 3.7837 3.9516 3.9516 4.6471 4.6471 5.5435 5.5435 9.2828 9.2828 9.8287 9.8287 10.1835 10.1835 10.5538 10.5538 k = 0.0529 0.1374-0.0000 ( 4051 PWs) bands (ev): -8.2240 -8.2240 -8.2159 -8.2159 -8.2030 -8.2030 -8.1979 -8.1979 -7.4204 -7.4204 -7.3904 -7.3904 -7.3621 -7.3621 -7.3414 -7.3414 -7.3080 -7.3080 -7.2901 -7.2901 -6.6871 -6.6871 -5.8502 -5.8502 1.4194 1.4194 2.1993 2.1993 2.4542 2.4542 3.2262 3.2262 3.8348 3.8348 4.0321 4.0321 4.6798 4.6798 5.5473 5.5473 9.1676 9.1676 9.7770 9.7770 10.2296 10.2296 10.6166 10.6166 k = 0.0604 0.1571-0.0000 ( 4055 PWs) bands (ev): -8.2241 -8.2241 -8.2155 -8.2155 -8.2028 -8.2028 -8.1980 -8.1980 -7.4200 -7.4200 -7.3903 -7.3903 -7.3621 -7.3621 -7.3412 -7.3412 -7.3083 -7.3083 -7.2900 -7.2900 -6.6793 -6.6793 -5.8526 -5.8526 1.3847 1.3847 2.1502 2.1502 2.3991 2.3991 3.2466 3.2466 3.8852 3.8852 4.1129 4.1129 4.7202 4.7202 5.5520 5.5520 9.0515 9.0515 9.7186 9.7186 10.2776 10.2776 10.6708 10.6708 k = 0.0680 0.1767-0.0000 ( 4055 PWs) bands (ev): -8.2241 -8.2241 -8.2151 -8.2151 -8.2026 -8.2026 -8.1981 -8.1981 -7.4195 -7.4195 -7.3903 -7.3903 -7.3620 -7.3620 -7.3410 -7.3410 -7.3086 -7.3086 -7.2900 -7.2900 -6.6705 -6.6705 -5.8553 -5.8553 1.3415 1.3415 2.1066 2.1066 2.3467 2.3467 3.2687 3.2687 3.9340 3.9340 4.1917 4.1917 4.7692 4.7692 5.5578 5.5578 8.9351 8.9351 9.6540 9.6540 10.3230 10.3230 10.7134 10.7134 k = 0.0755 0.1963-0.0000 ( 4049 PWs) bands (ev): -8.2242 -8.2242 -8.2147 -8.2147 -8.2024 -8.2024 -8.1981 -8.1981 -7.4189 -7.4189 -7.3902 -7.3902 -7.3619 -7.3619 -7.3408 -7.3408 -7.3089 -7.3089 -7.2899 -7.2899 -6.6608 -6.6608 -5.8584 -5.8584 1.2899 1.2899 2.0678 2.0678 2.2993 2.2993 3.2924 3.2924 3.9801 3.9801 4.2670 4.2670 4.8269 4.8269 5.5650 5.5650 8.8190 8.8190 9.5840 9.5840 10.3570 10.3570 10.7389 10.7389 k = 0.0831 0.2160-0.0000 ( 4053 PWs) bands (ev): -8.2243 -8.2243 -8.2142 -8.2142 -8.2021 -8.2021 -8.1982 -8.1982 -7.4183 -7.4183 -7.3902 -7.3902 -7.3618 -7.3618 -7.3405 -7.3405 -7.3093 -7.3093 -7.2899 -7.2899 -6.6502 -6.6502 -5.8619 -5.8619 1.2307 1.2307 2.0314 2.0314 2.2598 2.2598 3.3178 3.3178 4.0227 4.0227 4.3380 4.3380 4.8929 4.8929 5.5738 5.5738 8.7040 8.7040 9.5090 9.5090 10.3645 10.3645 10.7421 10.7421 k = 0.0906 0.2356-0.0000 ( 4051 PWs) bands (ev): -8.2244 -8.2244 -8.2138 -8.2138 -8.2019 -8.2019 -8.1983 -8.1983 -7.4176 -7.4176 -7.3901 -7.3901 -7.3618 -7.3618 -7.3402 -7.3402 -7.3097 -7.3097 -7.2898 -7.2898 -6.6387 -6.6387 -5.8658 -5.8658 1.1654 1.1654 1.9945 1.9945 2.2308 2.2308 3.3450 3.3450 4.0612 4.0612 4.4047 4.4047 4.9660 4.9660 5.5849 5.5849 8.5904 8.5904 9.4300 9.4300 10.3316 10.3316 10.7351 10.7351 k = 0.0982 0.2552-0.0000 ( 4051 PWs) bands (ev): -8.2245 -8.2245 -8.2133 -8.2133 -8.2016 -8.2016 -8.1983 -8.1983 -7.4169 -7.4169 -7.3901 -7.3901 -7.3617 -7.3617 -7.3398 -7.3398 -7.3101 -7.3101 -7.2898 -7.2898 -6.6265 -6.6265 -5.8702 -5.8702 1.0953 1.0953 1.9548 1.9548 2.2139 2.2139 3.3738 3.3738 4.0954 4.0954 4.4675 4.4675 5.0442 5.0442 5.5987 5.5987 8.4791 8.4791 9.3475 9.3475 10.2621 10.2621 10.7225 10.7225 k = 0.1057 0.2749-0.0000 ( 4055 PWs) bands (ev): -8.2245 -8.2245 -8.2128 -8.2128 -8.2013 -8.2013 -8.1984 -8.1984 -7.4162 -7.4162 -7.3900 -7.3900 -7.3617 -7.3617 -7.3395 -7.3395 -7.3105 -7.3105 -7.2897 -7.2897 -6.6135 -6.6135 -5.8750 -5.8750 1.0220 1.0220 1.9120 1.9120 2.2088 2.2088 3.4042 3.4042 4.1251 4.1251 4.5268 4.5268 5.1252 5.1252 5.6160 5.6160 8.3705 8.3705 9.2623 9.2623 10.1704 10.1704 10.6934 10.6934 k = 0.1133 0.2945-0.0000 ( 4059 PWs) bands (ev): -8.2246 -8.2246 -8.2123 -8.2123 -8.2010 -8.2010 -8.1985 -8.1985 -7.4155 -7.4155 -7.3900 -7.3900 -7.3616 -7.3616 -7.3391 -7.3391 -7.3110 -7.3110 -7.2896 -7.2896 -6.5998 -6.5998 -5.8802 -5.8802 0.9468 0.9468 1.8671 1.8671 2.2138 2.2138 3.4362 3.4362 4.1505 4.1505 4.5829 4.5829 5.2063 5.2063 5.6379 5.6379 8.2655 8.2655 9.1752 9.1752 10.0674 10.0674 10.6461 10.6461 k = 0.1208 0.3141-0.0000 ( 4059 PWs) bands (ev): -8.2247 -8.2247 -8.2118 -8.2118 -8.2006 -8.2006 -8.1986 -8.1986 -7.4147 -7.4147 -7.3900 -7.3900 -7.3616 -7.3616 -7.3387 -7.3387 -7.3115 -7.3115 -7.2895 -7.2895 -6.5854 -6.5854 -5.8860 -5.8860 0.8708 0.8708 1.8215 1.8215 2.2269 2.2269 3.4696 3.4696 4.1719 4.1719 4.6359 4.6359 5.2849 5.2849 5.6656 5.6656 8.1649 8.1649 9.0868 9.0868 9.9590 9.9590 10.5866 10.5866 k = 0.1284 0.3338-0.0000 ( 4065 PWs) bands (ev): -8.2248 -8.2248 -8.2113 -8.2113 -8.2003 -8.2003 -8.1987 -8.1987 -7.4138 -7.4138 -7.3899 -7.3899 -7.3616 -7.3616 -7.3383 -7.3383 -7.3120 -7.3120 -7.2895 -7.2895 -6.5704 -6.5704 -5.8923 -5.8923 0.7949 0.7949 1.7763 1.7763 2.2465 2.2465 3.5043 3.5043 4.1896 4.1896 4.6854 4.6854 5.3586 5.3586 5.7000 5.7000 8.0696 8.0696 8.9978 8.9978 9.8483 9.8483 10.5214 10.5214 k = 0.1359 0.3534-0.0000 ( 4069 PWs) bands (ev): -8.2249 -8.2249 -8.2108 -8.2108 -8.1999 -8.1999 -8.1988 -8.1988 -7.4130 -7.4130 -7.3899 -7.3899 -7.3617 -7.3617 -7.3379 -7.3379 -7.3125 -7.3125 -7.2894 -7.2894 -6.5550 -6.5550 -5.8991 -5.8991 0.7199 0.7199 1.7324 1.7324 2.2713 2.2713 3.5402 3.5402 4.2039 4.2039 4.7312 4.7312 5.4257 5.4257 5.7418 5.7418 7.9806 7.9806 8.9087 8.9087 9.7369 9.7369 10.4547 10.4547 k = 0.1435 0.3730-0.0000 ( 4061 PWs) bands (ev): -8.2250 -8.2250 -8.2103 -8.2103 -8.1995 -8.1995 -8.1989 -8.1989 -7.4122 -7.4122 -7.3899 -7.3899 -7.3617 -7.3617 -7.3374 -7.3374 -7.3130 -7.3130 -7.2893 -7.2893 -6.5390 -6.5390 -5.9064 -5.9064 0.6463 0.6463 1.6904 1.6904 2.3005 2.3005 3.5772 3.5772 4.2150 4.2150 4.7727 4.7727 5.4859 5.4859 5.7899 5.7899 7.8992 7.8992 8.8203 8.8203 9.6261 9.6261 10.3892 10.3892 k = 0.1511 0.3927-0.0000 ( 4067 PWs) bands (ev): -8.2251 -8.2251 -8.2098 -8.2098 -8.1992 -8.1992 -8.1990 -8.1990 -7.4113 -7.4113 -7.3899 -7.3899 -7.3618 -7.3618 -7.3369 -7.3369 -7.3136 -7.3136 -7.2892 -7.2892 -6.5227 -6.5227 -5.9143 -5.9143 0.5746 0.5746 1.6508 1.6508 2.3333 2.3333 3.6149 3.6149 4.2233 4.2233 4.8093 4.8093 5.5402 5.5402 5.8418 5.8418 7.8270 7.8270 8.7331 8.7331 9.5165 9.5165 10.3263 10.3263 k = 0.1586 0.4123-0.0000 ( 4067 PWs) bands (ev): -8.2252 -8.2252 -8.2094 -8.2094 -8.1990 -8.1990 -8.1988 -8.1988 -7.4104 -7.4104 -7.3899 -7.3899 -7.3619 -7.3619 -7.3365 -7.3365 -7.3141 -7.3141 -7.2892 -7.2892 -6.5060 -6.5060 -5.9227 -5.9227 0.5053 0.5053 1.6140 1.6140 2.3693 2.3693 3.6533 3.6533 4.2289 4.2289 4.8407 4.8407 5.5903 5.5903 5.8941 5.8941 7.7655 7.7655 8.6477 8.6477 9.4088 9.4088 10.2665 10.2665 k = 0.1662 0.4319-0.0000 ( 4073 PWs) bands (ev): -8.2253 -8.2253 -8.2089 -8.2089 -8.1991 -8.1991 -8.1984 -8.1984 -7.4096 -7.4096 -7.3899 -7.3899 -7.3621 -7.3621 -7.3360 -7.3360 -7.3147 -7.3147 -7.2891 -7.2891 -6.4892 -6.4892 -5.9317 -5.9317 0.4387 0.4387 1.5802 1.5802 2.4079 2.4079 3.6922 3.6922 4.2321 4.2321 4.8667 4.8667 5.6380 5.6380 5.9433 5.9433 7.7165 7.7165 8.5645 8.5645 9.3034 9.3034 10.2096 10.2096 k = 0.1737 0.4516-0.0000 ( 4069 PWs) bands (ev): -8.2254 -8.2254 -8.2085 -8.2085 -8.1992 -8.1992 -8.1979 -8.1979 -7.4087 -7.4087 -7.3899 -7.3899 -7.3622 -7.3622 -7.3355 -7.3355 -7.3152 -7.3152 -7.2890 -7.2890 -6.4721 -6.4721 -5.9413 -5.9413 0.3751 0.3751 1.5497 1.5497 2.4488 2.4488 3.7312 3.7312 4.2329 4.2329 4.8871 4.8871 5.6839 5.6839 5.9867 5.9867 7.6816 7.6816 8.4842 8.4842 9.2008 9.2008 10.1542 10.1542 k = 0.1813 0.4712-0.0000 ( 4065 PWs) bands (ev): -8.2255 -8.2255 -8.2081 -8.2081 -8.1993 -8.1993 -8.1975 -8.1975 -7.4079 -7.4079 -7.3899 -7.3899 -7.3624 -7.3624 -7.3350 -7.3350 -7.3158 -7.3158 -7.2889 -7.2889 -6.4550 -6.4550 -5.9514 -5.9514 0.3148 0.3148 1.5225 1.5225 2.4917 2.4917 3.7701 3.7701 4.2316 4.2316 4.9022 4.9022 5.7277 5.7277 6.0227 6.0227 7.6622 7.6622 8.4072 8.4072 9.1015 9.1015 10.0972 10.0972 k = 0.1888 0.4908-0.0000 ( 4061 PWs) bands (ev): -8.2256 -8.2256 -8.2078 -8.2078 -8.1994 -8.1994 -8.1971 -8.1971 -7.4070 -7.4070 -7.3900 -7.3900 -7.3626 -7.3626 -7.3345 -7.3345 -7.3164 -7.3164 -7.2888 -7.2888 -6.4379 -6.4379 -5.9621 -5.9621 0.2579 0.2579 1.4990 1.4990 2.5364 2.5364 3.8085 3.8085 4.2283 4.2283 4.9121 4.9121 5.7677 5.7677 6.0517 6.0517 7.6589 7.6589 8.3342 8.3342 9.0059 9.0059 10.0341 10.0341 k = 0.1964 0.5105-0.0000 ( 4073 PWs) bands (ev): -8.2257 -8.2257 -8.2075 -8.2075 -8.1994 -8.1994 -8.1967 -8.1967 -7.4062 -7.4062 -7.3900 -7.3900 -7.3629 -7.3629 -7.3341 -7.3341 -7.3169 -7.3169 -7.2888 -7.2888 -6.4209 -6.4209 -5.9734 -5.9734 0.2048 0.2048 1.4791 1.4791 2.5824 2.5824 3.8462 3.8462 4.2232 4.2232 4.9173 4.9173 5.8006 5.8006 6.0762 6.0762 7.6714 7.6714 8.2657 8.2657 8.9145 8.9145 9.9618 9.9618 k = 0.2039 0.5301-0.0000 ( 4073 PWs) bands (ev): -8.2258 -8.2258 -8.2072 -8.2072 -8.1995 -8.1995 -8.1962 -8.1962 -7.4054 -7.4054 -7.3901 -7.3901 -7.3632 -7.3632 -7.3336 -7.3336 -7.3175 -7.3175 -7.2887 -7.2887 -6.4041 -6.4041 -5.9853 -5.9853 0.1554 0.1554 1.4629 1.4629 2.6296 2.6296 3.8826 3.8826 4.2165 4.2165 4.9181 4.9181 5.8220 5.8220 6.1009 6.1009 7.6984 7.6984 8.2025 8.2025 8.8279 8.8279 9.8821 9.8821 k = 0.2115 0.5497-0.0000 ( 4067 PWs) bands (ev): -8.2260 -8.2260 -8.2069 -8.2069 -8.1996 -8.1996 -8.1958 -8.1958 -7.4046 -7.4046 -7.3901 -7.3901 -7.3635 -7.3635 -7.3331 -7.3331 -7.3180 -7.3180 -7.2886 -7.2886 -6.3875 -6.3875 -5.9976 -5.9976 0.1101 0.1101 1.4506 1.4506 2.6777 2.6777 3.9172 3.9172 4.2086 4.2086 4.9150 4.9150 5.8282 5.8282 6.1301 6.1301 7.7377 7.7377 8.1457 8.1457 8.7467 8.7467 9.7982 9.7982 k = 0.2190 0.5694-0.0000 ( 4079 PWs) bands (ev): -8.2261 -8.2261 -8.2067 -8.2067 -8.1996 -8.1996 -8.1954 -8.1954 -7.4039 -7.4039 -7.3902 -7.3902 -7.3638 -7.3638 -7.3327 -7.3327 -7.3185 -7.3185 -7.2886 -7.2886 -6.3712 -6.3712 -6.0105 -6.0105 0.0688 0.0688 1.4420 1.4420 2.7264 2.7264 3.9492 3.9492 4.2000 4.2000 4.9085 4.9085 5.8182 5.8182 6.1658 6.1658 7.7855 7.7855 8.0971 8.0971 8.6716 8.6716 9.7126 9.7126 k = 0.2266 0.5890-0.0000 ( 4075 PWs) bands (ev): -8.2263 -8.2263 -8.2065 -8.2065 -8.1997 -8.1997 -8.1950 -8.1950 -7.4032 -7.4032 -7.3902 -7.3902 -7.3642 -7.3642 -7.3322 -7.3322 -7.3190 -7.3190 -7.2885 -7.2885 -6.3553 -6.3553 -6.0239 -6.0239 0.0318 0.0318 1.4374 1.4374 2.7754 2.7754 3.9776 3.9776 4.1916 4.1916 4.8989 4.8989 5.7945 5.7945 6.2067 6.2067 7.8357 7.8357 8.0611 8.0611 8.6035 8.6035 9.6270 9.6270 k = 0.2341 0.6086-0.0000 ( 4083 PWs) bands (ev): -8.2264 -8.2264 -8.2063 -8.2063 -8.1997 -8.1997 -8.1946 -8.1946 -7.4026 -7.4026 -7.3902 -7.3902 -7.3645 -7.3645 -7.3318 -7.3318 -7.3195 -7.3195 -7.2885 -7.2885 -6.3399 -6.3399 -6.0377 -6.0377 -0.0010 -0.0010 1.4366 1.4366 2.8243 2.8243 4.0010 4.0010 4.1847 4.1847 4.8866 4.8866 5.7607 5.7607 6.2501 6.2501 7.8748 7.8748 8.0487 8.0487 8.5434 8.5434 9.5428 9.5428 k = 0.2417 0.6283-0.0000 ( 4079 PWs) bands (ev): -8.2266 -8.2266 -8.2062 -8.2062 -8.1997 -8.1997 -8.1942 -8.1942 -7.4021 -7.4021 -7.3902 -7.3902 -7.3649 -7.3649 -7.3314 -7.3314 -7.3200 -7.3200 -7.2884 -7.2884 -6.3250 -6.3250 -6.0520 -6.0520 -0.0293 -0.0293 1.4396 1.4396 2.8730 2.8730 4.0173 4.0173 4.1809 4.1809 4.8720 4.8720 5.7200 5.7200 6.2933 6.2933 7.8866 7.8866 8.0744 8.0744 8.4927 8.4927 9.4612 9.4612 k = 0.2492 0.6479-0.0000 ( 4075 PWs) bands (ev): -8.2267 -8.2267 -8.2061 -8.2061 -8.1998 -8.1998 -8.1938 -8.1938 -7.4016 -7.4016 -7.3902 -7.3902 -7.3653 -7.3653 -7.3310 -7.3310 -7.3205 -7.3205 -7.2884 -7.2884 -6.3106 -6.3106 -6.0667 -6.0667 -0.0533 -0.0533 1.4465 1.4465 2.9210 2.9210 4.0247 4.0247 4.1821 4.1821 4.8553 4.8553 5.6752 5.6752 6.3341 6.3341 7.8775 7.8775 8.1288 8.1288 8.4531 8.4531 9.3832 9.3832 k = 0.2568 0.6675-0.0000 ( 4077 PWs) bands (ev): -8.2269 -8.2269 -8.2060 -8.2060 -8.1998 -8.1998 -8.1934 -8.1934 -7.4012 -7.4012 -7.3901 -7.3901 -7.3657 -7.3657 -7.3307 -7.3307 -7.3209 -7.3209 -7.2883 -7.2883 -6.2970 -6.2970 -6.0817 -6.0817 -0.0728 -0.0728 1.4571 1.4571 2.9679 2.9679 4.0228 4.0228 4.1885 4.1885 4.8369 4.8369 5.6282 5.6282 6.3704 6.3704 7.8637 7.8637 8.1920 8.1920 8.4275 8.4275 9.3106 9.3106 k = 0.2643 0.6871-0.0000 ( 4083 PWs) bands (ev): -8.2271 -8.2271 -8.2059 -8.2059 -8.1998 -8.1998 -8.1931 -8.1931 -7.4010 -7.4010 -7.3900 -7.3900 -7.3662 -7.3662 -7.3303 -7.3303 -7.3213 -7.3213 -7.2883 -7.2883 -6.2840 -6.2840 -6.0970 -6.0970 -0.0878 -0.0878 1.4714 1.4714 3.0133 3.0133 4.0131 4.0131 4.1985 4.1985 4.8171 4.8171 5.5806 5.5806 6.4006 6.4006 7.8524 7.8524 8.2503 8.2503 8.4206 8.4206 9.2456 9.2456 k = 0.2719 0.7068-0.0000 ( 4081 PWs) bands (ev): -8.2273 -8.2273 -8.2059 -8.2059 -8.1998 -8.1998 -8.1928 -8.1928 -7.4009 -7.4009 -7.3898 -7.3898 -7.3666 -7.3666 -7.3300 -7.3300 -7.3217 -7.3217 -7.2882 -7.2882 -6.2717 -6.2717 -6.1126 -6.1126 -0.0984 -0.0984 1.4894 1.4894 3.0568 3.0568 3.9978 3.9978 4.2098 4.2098 4.7961 4.7961 5.5337 5.5337 6.4234 6.4234 7.8463 7.8463 8.2935 8.2935 8.4373 8.4373 9.1913 9.1913 k = 0.2794 0.7264-0.0000 ( 4073 PWs) bands (ev): -8.2275 -8.2275 -8.2058 -8.2058 -8.1998 -8.1998 -8.1925 -8.1925 -7.4009 -7.4009 -7.3896 -7.3896 -7.3670 -7.3670 -7.3296 -7.3296 -7.3221 -7.3221 -7.2882 -7.2882 -6.2602 -6.2602 -6.1284 -6.1284 -0.1045 -0.1045 1.5109 1.5109 3.0980 3.0980 3.9787 3.9787 4.2206 4.2206 4.7741 4.7741 5.4884 5.4884 6.4379 6.4379 7.8464 7.8464 8.3221 8.3221 8.4718 8.4718 9.1526 9.1526 k = 0.2870 0.7460-0.0000 ( 4065 PWs) bands (ev): -8.2277 -8.2277 -8.2058 -8.2058 -8.1998 -8.1998 -8.1922 -8.1922 -7.4010 -7.4010 -7.3893 -7.3893 -7.3674 -7.3674 -7.3293 -7.3293 -7.3225 -7.3225 -7.2882 -7.2882 -6.2495 -6.2495 -6.1443 -6.1443 -0.1063 -0.1063 1.5358 1.5358 3.1364 3.1364 3.9572 3.9572 4.2296 4.2296 4.7516 4.7516 5.4458 5.4458 6.4436 6.4436 7.8529 7.8529 8.3468 8.3468 8.5073 8.5073 9.1350 9.1350 k = 0.2870 0.7460-0.0000 ( 4065 PWs) bands (ev): -8.2277 -8.2277 -8.2058 -8.2058 -8.1998 -8.1998 -8.1922 -8.1922 -7.4010 -7.4010 -7.3893 -7.3893 -7.3674 -7.3674 -7.3293 -7.3293 -7.3225 -7.3225 -7.2882 -7.2882 -6.2495 -6.2495 -6.1443 -6.1443 -0.1063 -0.1063 1.5358 1.5358 3.1364 3.1364 3.9572 3.9572 4.2296 4.2296 4.7516 4.7516 5.4458 5.4458 6.4436 6.4436 7.8529 7.8529 8.3468 8.3468 8.5073 8.5073 9.1350 9.1350 k = 0.2665 0.7460-0.0000 ( 4067 PWs) bands (ev): -8.2276 -8.2276 -8.2058 -8.2058 -8.1998 -8.1998 -8.1924 -8.1924 -7.4009 -7.4009 -7.3895 -7.3895 -7.3672 -7.3672 -7.3294 -7.3294 -7.3224 -7.3224 -7.2882 -7.2882 -6.2541 -6.2541 -6.1378 -6.1378 -0.1053 -0.1053 1.5246 1.5246 3.1272 3.1272 3.9629 3.9629 4.2274 4.2274 4.7547 4.7547 5.4636 5.4636 6.4399 6.4399 7.8509 7.8509 8.3315 8.3315 8.5101 8.5101 9.1350 9.1350 k = 0.2460 0.7460-0.0000 ( 4074 PWs) bands (ev): -8.2275 -8.2275 -8.2058 -8.2058 -8.1998 -8.1998 -8.1925 -8.1925 -7.4009 -7.4009 -7.3897 -7.3897 -7.3669 -7.3669 -7.3295 -7.3295 -7.3222 -7.3222 -7.2883 -7.2883 -6.2600 -6.2600 -6.1300 -6.1300 -0.1023 -0.1023 1.5096 1.5096 3.1257 3.1257 3.9645 3.9645 4.2263 4.2263 4.7489 4.7489 5.4876 5.4876 6.4304 6.4304 7.8514 7.8514 8.3084 8.3084 8.5336 8.5336 9.1328 9.1328 k = 0.2255 0.7460-0.0000 ( 4076 PWs) bands (ev): -8.2274 -8.2274 -8.2057 -8.2057 -8.1998 -8.1998 -8.1927 -8.1927 -7.4008 -7.4008 -7.3900 -7.3900 -7.3666 -7.3666 -7.3295 -7.3295 -7.3221 -7.3221 -7.2884 -7.2884 -6.2665 -6.2665 -6.1217 -6.1217 -0.0975 -0.0975 1.4912 1.4912 3.1317 3.1317 3.9623 3.9623 4.2257 4.2257 4.7354 4.7354 5.5162 5.5162 6.4164 6.4164 7.8540 7.8540 8.2853 8.2853 8.5664 8.5664 9.1308 9.1308 k = 0.2050 0.7460-0.0000 ( 4080 PWs) bands (ev): -8.2273 -8.2273 -8.2056 -8.2056 -8.1999 -8.1999 -8.1929 -8.1929 -7.4007 -7.4007 -7.3905 -7.3905 -7.3661 -7.3661 -7.3296 -7.3296 -7.3219 -7.3219 -7.2884 -7.2884 -6.2732 -6.2732 -6.1133 -6.1133 -0.0912 -0.0912 1.4699 1.4699 3.1450 3.1450 3.9564 3.9564 4.2253 4.2253 4.7164 4.7164 5.5476 5.5476 6.3993 6.3993 7.8586 7.8586 8.2663 8.2663 8.5997 8.5997 9.1322 9.1322 k = 0.1845 0.7460-0.0000 ( 4076 PWs) bands (ev): -8.2273 -8.2273 -8.2055 -8.2055 -8.1999 -8.1999 -8.1932 -8.1932 -7.4006 -7.4006 -7.3909 -7.3909 -7.3657 -7.3657 -7.3295 -7.3295 -7.3218 -7.3218 -7.2886 -7.2886 -6.2797 -6.2797 -6.1052 -6.1052 -0.0836 -0.0836 1.4467 1.4467 3.1647 3.1647 3.9472 3.9472 4.2244 4.2244 4.6937 4.6937 5.5802 5.5802 6.3803 6.3803 7.8647 7.8647 8.2530 8.2530 8.6266 8.6266 9.1408 9.1408 k = 0.1640 0.7460-0.0000 ( 4072 PWs) bands (ev): -8.2272 -8.2272 -8.2054 -8.2054 -8.1999 -8.1999 -8.1935 -8.1935 -7.4005 -7.4005 -7.3914 -7.3914 -7.3652 -7.3652 -7.3295 -7.3295 -7.3217 -7.3217 -7.2887 -7.2887 -6.2859 -6.2859 -6.0976 -6.0976 -0.0751 -0.0751 1.4222 1.4222 3.1902 3.1902 3.9350 3.9350 4.2226 4.2226 4.6694 4.6694 5.6123 5.6123 6.3606 6.3606 7.8721 7.8721 8.2461 8.2461 8.6418 8.6418 9.1597 9.1597 k = 0.1435 0.7460-0.0000 ( 4072 PWs) bands (ev): -8.2271 -8.2271 -8.2053 -8.2053 -8.1999 -8.1999 -8.1937 -8.1937 -7.4004 -7.4004 -7.3919 -7.3919 -7.3647 -7.3647 -7.3294 -7.3294 -7.3216 -7.3216 -7.2888 -7.2888 -6.2916 -6.2916 -6.0906 -6.0906 -0.0662 -0.0662 1.3975 1.3975 3.2204 3.2204 3.9200 3.9200 4.2194 4.2194 4.6453 4.6453 5.6430 5.6430 6.3411 6.3411 7.8803 7.8803 8.2455 8.2455 8.6429 8.6429 9.1895 9.1895 k = 0.1230 0.7460-0.0000 ( 4067 PWs) bands (ev): -8.2270 -8.2270 -8.2051 -8.2051 -8.2000 -8.2000 -8.1940 -8.1940 -7.4003 -7.4003 -7.3925 -7.3925 -7.3643 -7.3643 -7.3294 -7.3294 -7.3215 -7.3215 -7.2890 -7.2890 -6.2967 -6.2967 -6.0843 -6.0843 -0.0571 -0.0571 1.3736 1.3736 3.2540 3.2540 3.9024 3.9024 4.2149 4.2149 4.6228 4.6228 5.6712 5.6712 6.3227 6.3227 7.8890 7.8890 8.2510 8.2510 8.6309 8.6309 9.2279 9.2279 k = 0.1025 0.7460-0.0000 ( 4065 PWs) bands (ev): -8.2270 -8.2270 -8.2049 -8.2049 -8.2000 -8.2000 -8.1943 -8.1943 -7.4001 -7.4001 -7.3930 -7.3930 -7.3638 -7.3638 -7.3293 -7.3293 -7.3214 -7.3214 -7.2891 -7.2891 -6.3011 -6.3011 -6.0789 -6.0789 -0.0485 -0.0485 1.3514 1.3514 3.2895 3.2895 3.8826 3.8826 4.2093 4.2093 4.6030 4.6030 5.6961 5.6961 6.3061 6.3061 7.8976 7.8976 8.2621 8.2621 8.6085 8.6085 9.2706 9.2706 k = 0.0820 0.7460-0.0000 ( 4067 PWs) bands (ev): -8.2269 -8.2269 -8.2048 -8.2048 -8.2001 -8.2001 -8.1945 -8.1945 -7.3999 -7.3999 -7.3934 -7.3934 -7.3635 -7.3635 -7.3292 -7.3292 -7.3214 -7.3214 -7.2893 -7.2893 -6.3048 -6.3048 -6.0744 -6.0744 -0.0406 -0.0406 1.3318 1.3318 3.3251 3.3251 3.8613 3.8613 4.2033 4.2033 4.5867 4.5867 5.7173 5.7173 6.2917 6.2917 7.9057 7.9057 8.2783 8.2783 8.5793 8.5793 9.3128 9.3128 k = 0.0615 0.7460-0.0000 ( 4067 PWs) bands (ev): -8.2269 -8.2269 -8.2047 -8.2047 -8.2001 -8.2001 -8.1947 -8.1947 -7.3998 -7.3998 -7.3938 -7.3938 -7.3632 -7.3632 -7.3291 -7.3291 -7.3213 -7.3213 -7.2894 -7.2894 -6.3077 -6.3077 -6.0709 -6.0709 -0.0340 -0.0340 1.3157 1.3157 3.3583 3.3583 3.8400 3.8400 4.1975 4.1975 4.5741 4.5741 5.7342 5.7342 6.2801 6.2801 7.9127 7.9127 8.2984 8.2984 8.5469 8.5469 9.3505 9.3505 k = 0.0410 0.7460-0.0000 ( 4073 PWs) bands (ev): -8.2268 -8.2268 -8.2046 -8.2046 -8.2002 -8.2002 -8.1948 -8.1948 -7.3997 -7.3997 -7.3941 -7.3941 -7.3630 -7.3630 -7.3291 -7.3291 -7.3213 -7.3213 -7.2895 -7.2895 -6.3098 -6.3098 -6.0683 -6.0683 -0.0290 -0.0290 1.3036 1.3036 3.3863 3.3863 3.8211 3.8211 4.1928 4.1928 4.5653 4.5653 5.7465 5.7465 6.2716 6.2716 7.9181 7.9181 8.3205 8.3205 8.5148 8.5148 9.3800 9.3800 k = 0.0205 0.7460-0.0000 ( 4074 PWs) bands (ev): -8.2268 -8.2268 -8.2045 -8.2045 -8.2002 -8.2002 -8.1949 -8.1949 -7.3996 -7.3996 -7.3943 -7.3943 -7.3629 -7.3629 -7.3290 -7.3290 -7.3212 -7.3212 -7.2895 -7.2895 -6.3110 -6.3110 -6.0668 -6.0668 -0.0258 -0.0258 1.2962 1.2962 3.4053 3.4053 3.8076 3.8076 4.1896 4.1896 4.5600 4.5600 5.7540 5.7540 6.2664 6.2664 7.9215 7.9215 8.3401 8.3401 8.4888 8.4888 9.3988 9.3988 k = 0.0000 0.7460-0.0000 ( 4072 PWs) bands (ev): -8.2268 -8.2268 -8.2045 -8.2045 -8.2002 -8.2002 -8.1949 -8.1949 -7.3996 -7.3996 -7.3944 -7.3944 -7.3628 -7.3628 -7.3290 -7.3290 -7.3212 -7.3212 -7.2895 -7.2895 -6.3115 -6.3115 -6.0662 -6.0662 -0.0248 -0.0248 1.2937 1.2937 3.4121 3.4121 3.8026 3.8026 4.1885 4.1885 4.5583 4.5583 5.7565 5.7565 6.2646 6.2646 7.9226 7.9226 8.3488 8.3488 8.4778 8.4778 9.4053 9.4053 k = 0.0000 0.7460-0.0000 ( 4072 PWs) bands (ev): -8.2268 -8.2268 -8.2045 -8.2045 -8.2002 -8.2002 -8.1949 -8.1949 -7.3996 -7.3996 -7.3944 -7.3944 -7.3628 -7.3628 -7.3290 -7.3290 -7.3212 -7.3212 -7.2895 -7.2895 -6.3115 -6.3115 -6.0662 -6.0662 -0.0248 -0.0248 1.2937 1.2937 3.4121 3.4121 3.8026 3.8026 4.1885 4.1885 4.5583 4.5583 5.7565 5.7565 6.2646 6.2646 7.9226 7.9226 8.3488 8.3488 8.4778 8.4778 9.4053 9.4053 k = 0.0000 0.7460 0.0210 ( 4076 PWs) bands (ev): -8.2268 -8.2268 -8.2046 -8.2046 -8.2002 -8.2002 -8.1949 -8.1949 -7.4000 -7.4000 -7.3941 -7.3941 -7.3627 -7.3627 -7.3295 -7.3295 -7.3209 -7.3209 -7.2896 -7.2896 -6.3108 -6.3108 -6.0659 -6.0659 -0.0233 -0.0233 1.2950 1.2950 3.4095 3.4095 3.8003 3.8003 4.1855 4.1855 4.5572 4.5572 5.7544 5.7544 6.2475 6.2475 7.9379 7.9379 8.3547 8.3547 8.4870 8.4870 9.3914 9.3914 k = 0.0000 0.7460 0.0420 ( 4070 PWs) bands (ev): -8.2268 -8.2268 -8.2049 -8.2049 -8.2002 -8.2002 -8.1948 -8.1948 -7.4010 -7.4010 -7.3934 -7.3934 -7.3625 -7.3625 -7.3308 -7.3308 -7.3201 -7.3201 -7.2898 -7.2898 -6.3089 -6.3089 -6.0648 -6.0648 -0.0190 -0.0190 1.2988 1.2988 3.4016 3.4016 3.7933 3.7933 4.1768 4.1768 4.5538 4.5538 5.7483 5.7483 6.1983 6.1983 7.9815 7.9815 8.3724 8.3724 8.5140 8.5140 9.3542 9.3542 k = 0.0000 0.7460 0.0630 ( 4070 PWs) bands (ev): -8.2268 -8.2268 -8.2053 -8.2053 -8.2003 -8.2003 -8.1947 -8.1947 -7.4024 -7.4024 -7.3925 -7.3925 -7.3622 -7.3622 -7.3326 -7.3326 -7.3192 -7.3192 -7.2900 -7.2900 -6.3057 -6.3057 -6.0631 -6.0631 -0.0117 -0.0117 1.3053 1.3053 3.3883 3.3883 3.7811 3.7811 4.1632 4.1632 4.5484 4.5484 5.7378 5.7378 6.1221 6.1221 8.0480 8.0480 8.4022 8.4022 8.5580 8.5580 9.3025 9.3025 k = 0.0000 0.7460 0.0840 ( 4066 PWs) bands (ev): -8.2267 -8.2267 -8.2059 -8.2059 -8.2004 -8.2004 -8.1945 -8.1945 -7.4040 -7.4040 -7.3917 -7.3917 -7.3618 -7.3618 -7.3348 -7.3348 -7.3182 -7.3182 -7.2904 -7.2904 -6.3012 -6.3012 -6.0607 -6.0607 -0.0016 -0.0016 1.3143 1.3143 3.3698 3.3698 3.7632 3.7632 4.1459 4.1459 4.5412 4.5412 5.7230 5.7230 6.0251 6.0251 8.1309 8.1309 8.4441 8.4441 8.6176 8.6176 9.2445 9.2445 k = 0.0000 0.7460 0.1050 ( 4070 PWs) bands (ev): -8.2267 -8.2267 -8.2066 -8.2066 -8.2006 -8.2006 -8.1942 -8.1942 -7.4057 -7.4057 -7.3909 -7.3909 -7.3613 -7.3613 -7.3371 -7.3371 -7.3172 -7.3172 -7.2909 -7.2909 -6.2955 -6.2955 -6.0576 -6.0576 0.0114 0.0114 1.3258 1.3258 3.3460 3.3460 3.7391 3.7391 4.1265 4.1265 4.5325 4.5325 5.7035 5.7035 5.9132 5.9132 8.2239 8.2239 8.4976 8.4976 8.6905 8.6905 9.1865 9.1865 k = 0.0000 0.7460 0.1260 ( 4066 PWs) bands (ev): -8.2267 -8.2267 -8.2073 -8.2073 -8.2009 -8.2009 -8.1940 -8.1940 -7.4074 -7.4074 -7.3902 -7.3902 -7.3607 -7.3607 -7.3396 -7.3396 -7.3164 -7.3164 -7.2916 -7.2916 -6.2887 -6.2887 -6.0539 -6.0539 0.0273 0.0273 1.3399 1.3399 3.3171 3.3171 3.7082 3.7082 4.1063 4.1063 4.5228 4.5228 5.6782 5.6782 5.7922 5.7922 8.3218 8.3218 8.5622 8.5622 8.7737 8.7737 9.1341 9.1341 k = 0.0000 0.7460 0.1470 ( 4070 PWs) bands (ev): -8.2266 -8.2266 -8.2081 -8.2081 -8.2013 -8.2013 -8.1937 -8.1937 -7.4092 -7.4092 -7.3897 -7.3897 -7.3602 -7.3602 -7.3422 -7.3422 -7.3156 -7.3156 -7.2922 -7.2922 -6.2807 -6.2807 -6.0497 -6.0497 0.0461 0.0461 1.3565 1.3565 3.2833 3.2833 3.6705 3.6705 4.0862 4.0862 4.5124 4.5124 5.6340 5.6340 5.6789 5.6789 8.4196 8.4196 8.6363 8.6363 8.8615 8.8615 9.0952 9.0952 k = 0.0000 0.7460 0.1680 ( 4070 PWs) bands (ev): -8.2266 -8.2266 -8.2089 -8.2089 -8.2017 -8.2017 -8.1935 -8.1935 -7.4111 -7.4111 -7.3892 -7.3892 -7.3598 -7.3598 -7.3446 -7.3446 -7.3150 -7.3150 -7.2930 -7.2930 -6.2718 -6.2718 -6.0449 -6.0449 0.0678 0.0678 1.3756 1.3756 3.2446 3.2446 3.6262 3.6262 4.0666 4.0666 4.5018 4.5018 5.5180 5.5180 5.6290 5.6290 8.5111 8.5111 8.7177 8.7177 8.9400 8.9400 9.0875 9.0875 k = 0.0000 0.7460 0.1891 ( 4070 PWs) bands (ev): -8.2266 -8.2266 -8.2098 -8.2098 -8.2022 -8.2022 -8.1932 -8.1932 -7.4129 -7.4129 -7.3888 -7.3888 -7.3598 -7.3598 -7.3467 -7.3467 -7.3144 -7.3144 -7.2938 -7.2938 -6.2618 -6.2618 -6.0397 -6.0397 0.0923 0.0923 1.3972 1.3972 3.2015 3.2015 3.5762 3.5762 4.0476 4.0476 4.4911 4.4911 5.3836 5.3836 5.5918 5.5918 8.5860 8.5860 8.8039 8.8039 8.9912 8.9912 9.1375 9.1375 k = 0.0000 0.7460 0.2101 ( 4070 PWs) bands (ev): -8.2267 -8.2267 -8.2107 -8.2107 -8.2027 -8.2027 -8.1930 -8.1930 -7.4147 -7.4147 -7.3885 -7.3885 -7.3605 -7.3605 -7.3482 -7.3482 -7.3141 -7.3141 -7.2947 -7.2947 -6.2510 -6.2510 -6.0340 -6.0340 0.1196 0.1196 1.4212 1.4212 3.1544 3.1544 3.5214 3.5214 4.0285 4.0285 4.4804 4.4804 5.2476 5.2476 5.5529 5.5529 8.6303 8.6303 8.8941 8.8941 9.0452 9.0452 9.2245 9.2245 k = 0.0000 0.7460 0.2311 ( 4072 PWs) bands (ev): -8.2267 -8.2267 -8.2116 -8.2116 -8.2033 -8.2033 -8.1928 -8.1928 -7.4165 -7.4165 -7.3883 -7.3883 -7.3620 -7.3620 -7.3489 -7.3489 -7.3139 -7.3139 -7.2955 -7.2955 -6.2394 -6.2394 -6.0280 -6.0280 0.1498 0.1498 1.4476 1.4476 3.1036 3.1036 3.4629 3.4629 4.0086 4.0086 4.4694 4.4694 5.1128 5.1128 5.5117 5.5117 8.6411 8.6411 8.9918 8.9918 9.1270 9.1270 9.3184 9.3184 k = 0.0000 0.7460 0.2521 ( 4064 PWs) bands (ev): -8.2268 -8.2268 -8.2125 -8.2125 -8.2038 -8.2038 -8.1926 -8.1926 -7.4183 -7.4183 -7.3881 -7.3881 -7.3643 -7.3643 -7.3488 -7.3488 -7.3138 -7.3138 -7.2964 -7.2964 -6.2270 -6.2270 -6.0217 -6.0217 0.1829 0.1829 1.4763 1.4763 3.0496 3.0496 3.4020 3.4020 3.9868 3.9868 4.4569 4.4569 4.9819 4.9819 5.4687 5.4687 8.6302 8.6302 9.0980 9.0980 9.2296 9.2296 9.4077 9.4077 k = 0.0000 0.7460 0.2731 ( 4066 PWs) bands (ev): -8.2270 -8.2270 -8.2134 -8.2134 -8.2043 -8.2043 -8.1925 -8.1925 -7.4200 -7.4200 -7.3880 -7.3880 -7.3669 -7.3669 -7.3483 -7.3483 -7.3139 -7.3139 -7.2971 -7.2971 -6.2140 -6.2140 -6.0151 -6.0151 0.2187 0.2187 1.5073 1.5073 2.9930 2.9930 3.3395 3.3395 3.9621 3.9621 4.4407 4.4407 4.8585 4.8585 5.4245 5.4245 8.6100 8.6100 9.2099 9.2099 9.3435 9.3435 9.4875 9.4875 k = 0.0000 0.7460 0.2941 ( 4064 PWs) bands (ev): -8.2271 -8.2271 -8.2143 -8.2143 -8.2048 -8.2048 -8.1924 -8.1924 -7.4216 -7.4216 -7.3880 -7.3880 -7.3698 -7.3698 -7.3476 -7.3476 -7.3142 -7.3142 -7.2978 -7.2978 -6.2005 -6.2005 -6.0085 -6.0085 0.2573 0.2573 1.5406 1.5406 2.9343 2.9343 3.2765 3.2765 3.9334 3.9334 4.4153 4.4153 4.7490 4.7490 5.3797 5.3797 8.5870 8.5870 9.3235 9.3235 9.4634 9.4634 9.5553 9.5553 k = 0.0000 0.7460 0.3151 ( 4072 PWs) bands (ev): -8.2274 -8.2274 -8.2152 -8.2152 -8.2052 -8.2052 -8.1923 -8.1923 -7.4232 -7.4232 -7.3882 -7.3882 -7.3726 -7.3726 -7.3468 -7.3468 -7.3147 -7.3147 -7.2984 -7.2984 -6.1866 -6.1866 -6.0018 -6.0018 0.2987 0.2987 1.5759 1.5759 2.8739 2.8739 3.2138 3.2138 3.8992 3.8992 4.3716 4.3716 4.6638 4.6638 5.3352 5.3352 8.5644 8.5644 9.4329 9.4329 9.5852 9.5852 9.6137 9.6137 k = 0.0000 0.7460 0.3361 ( 4070 PWs) bands (ev): -8.2277 -8.2277 -8.2161 -8.2161 -8.2056 -8.2056 -8.1923 -8.1923 -7.4246 -7.4246 -7.3885 -7.3885 -7.3753 -7.3753 -7.3460 -7.3460 -7.3152 -7.3152 -7.2989 -7.2989 -6.1723 -6.1723 -5.9950 -5.9950 0.3429 0.3429 1.6132 1.6132 2.8124 2.8124 3.1521 3.1521 3.8583 3.8583 4.3029 4.3029 4.6109 4.6109 5.2916 5.2916 8.5437 8.5437 9.5235 9.5235 9.6699 9.6699 9.7117 9.7117 k = 0.0000 0.7460 0.3571 ( 4066 PWs) bands (ev): -8.2280 -8.2280 -8.2170 -8.2170 -8.2059 -8.2059 -8.1924 -8.1924 -7.4260 -7.4260 -7.3893 -7.3893 -7.3775 -7.3775 -7.3453 -7.3453 -7.3159 -7.3159 -7.2993 -7.2993 -6.1578 -6.1578 -5.9884 -5.9884 0.3897 0.3897 1.6524 1.6524 2.7502 2.7502 3.0921 3.0921 3.8092 3.8092 4.2155 4.2155 4.5852 4.5852 5.2495 5.2495 8.5259 8.5259 9.5715 9.5715 9.7538 9.7538 9.8338 9.8338 k = 0.0000 0.7460 0.3781 ( 4068 PWs) bands (ev): -8.2284 -8.2284 -8.2180 -8.2180 -8.2060 -8.2060 -8.1925 -8.1925 -7.4273 -7.4273 -7.3906 -7.3906 -7.3790 -7.3790 -7.3448 -7.3448 -7.3165 -7.3165 -7.2996 -7.2996 -6.1431 -6.1431 -5.9820 -5.9820 0.4392 0.4392 1.6931 1.6931 2.6878 2.6878 3.0344 3.0344 3.7505 3.7505 4.1217 4.1217 4.5759 4.5759 5.2094 5.2094 8.5112 8.5112 9.5801 9.5801 9.8591 9.8591 9.9537 9.9537 k = 0.0000 0.7460 0.3991 ( 4066 PWs) bands (ev): -8.2288 -8.2288 -8.2190 -8.2190 -8.2061 -8.2061 -8.1926 -8.1926 -7.4284 -7.4284 -7.3925 -7.3925 -7.3799 -7.3799 -7.3445 -7.3445 -7.3170 -7.3170 -7.2999 -7.2999 -6.1284 -6.1284 -5.9758 -5.9758 0.4914 0.4914 1.7352 1.7352 2.6256 2.6256 2.9794 2.9794 3.6814 3.6814 4.0294 4.0294 4.5757 4.5757 5.1716 5.1716 8.4999 8.4999 9.5653 9.5653 9.9710 9.9710 10.0693 10.0693 k = 0.0000 0.7460 0.4201 ( 4068 PWs) bands (ev): -8.2293 -8.2293 -8.2199 -8.2199 -8.2061 -8.2061 -8.1928 -8.1928 -7.4294 -7.4294 -7.3949 -7.3949 -7.3802 -7.3802 -7.3445 -7.3445 -7.3174 -7.3174 -7.3002 -7.3002 -6.1137 -6.1137 -5.9699 -5.9699 0.5461 0.5461 1.7781 1.7781 2.5642 2.5642 2.9278 2.9278 3.6026 3.6026 3.9420 3.9420 4.5811 4.5811 5.1365 5.1365 8.4921 8.4921 9.5353 9.5353 10.0828 10.0828 10.1792 10.1792 k = 0.0000 0.7460 0.4411 ( 4076 PWs) bands (ev): -8.2297 -8.2297 -8.2209 -8.2209 -8.2059 -8.2059 -8.1930 -8.1930 -7.4303 -7.4303 -7.3975 -7.3975 -7.3801 -7.3801 -7.3448 -7.3448 -7.3176 -7.3176 -7.3005 -7.3005 -6.0992 -6.0992 -5.9644 -5.9644 0.6033 0.6033 1.8212 1.8212 2.5041 2.5041 2.8799 2.8799 3.5160 3.5160 3.8600 3.8600 4.5902 4.5902 5.1039 5.1039 8.4880 8.4880 9.4947 9.4947 10.1915 10.1915 10.2820 10.2820 k = 0.0000 0.7460 0.4621 ( 4074 PWs) bands (ev): -8.2301 -8.2301 -8.2219 -8.2219 -8.2057 -8.2057 -8.1933 -8.1933 -7.4310 -7.4310 -7.4002 -7.4002 -7.3797 -7.3797 -7.3453 -7.3453 -7.3176 -7.3176 -7.3008 -7.3008 -6.0849 -6.0849 -5.9595 -5.9595 0.6629 0.6629 1.8635 1.8635 2.4462 2.4462 2.8362 2.8362 3.4245 3.4245 3.7819 3.7819 4.6021 4.6021 5.0739 5.0739 8.4875 8.4875 9.4464 9.4464 10.2953 10.2953 10.3768 10.3768 k = 0.0000 0.7460 0.4831 ( 4078 PWs) bands (ev): -8.2305 -8.2305 -8.2229 -8.2229 -8.2054 -8.2054 -8.1936 -8.1936 -7.4315 -7.4315 -7.4030 -7.4030 -7.3791 -7.3791 -7.3462 -7.3462 -7.3173 -7.3173 -7.3011 -7.3011 -6.0709 -6.0709 -5.9550 -5.9550 0.7249 0.7249 1.9031 1.9031 2.3921 2.3921 2.7970 2.7970 3.3312 3.3312 3.7061 3.7061 4.6159 4.6159 5.0463 5.0463 8.4907 8.4907 9.3926 9.3926 10.3928 10.3928 10.4630 10.4630 k = 0.0000 0.7460 0.5041 ( 4078 PWs) bands (ev): -8.2309 -8.2309 -8.2239 -8.2239 -8.2050 -8.2050 -8.1939 -8.1939 -7.4320 -7.4320 -7.4057 -7.4057 -7.3783 -7.3783 -7.3474 -7.3474 -7.3169 -7.3169 -7.3015 -7.3015 -6.0573 -6.0573 -5.9513 -5.9513 0.7891 0.7891 1.9370 1.9370 2.3445 2.3445 2.7629 2.7629 3.2387 3.2387 3.6315 3.6315 4.6314 4.6314 5.0208 5.0208 8.4976 8.4976 9.3352 9.3352 10.4828 10.4828 10.5403 10.5403 k = 0.0000 0.7460 0.5251 ( 4084 PWs) bands (ev): -8.2313 -8.2313 -8.2249 -8.2249 -8.2046 -8.2046 -8.1943 -8.1943 -7.4322 -7.4322 -7.4083 -7.4083 -7.3774 -7.3774 -7.3487 -7.3487 -7.3162 -7.3162 -7.3019 -7.3019 -6.0442 -6.0442 -5.9482 -5.9482 0.8555 0.8555 1.9596 1.9596 2.3082 2.3082 2.7341 2.7341 3.1492 3.1492 3.5574 3.5574 4.6481 4.6481 4.9972 4.9972 8.5082 8.5082 9.2755 9.2755 10.5642 10.5642 10.6090 10.6090 k = 0.0000 0.7460 0.5461 ( 4078 PWs) bands (ev): -8.2315 -8.2315 -8.2258 -8.2258 -8.2041 -8.2041 -8.1948 -8.1948 -7.4323 -7.4323 -7.4108 -7.4108 -7.3764 -7.3764 -7.3503 -7.3503 -7.3155 -7.3155 -7.3023 -7.3023 -6.0317 -6.0317 -5.9458 -5.9458 0.9239 0.9239 1.9639 1.9639 2.2896 2.2896 2.7109 2.7109 3.0647 3.0647 3.4834 3.4834 4.6657 4.6657 4.9750 4.9750 8.5226 8.5226 9.2147 9.2147 10.6360 10.6360 10.6697 10.6697 k = 0.0000 0.7460 0.5672 ( 4086 PWs) bands (ev): -8.2318 -8.2318 -8.2267 -8.2267 -8.2036 -8.2036 -8.1952 -8.1952 -7.4322 -7.4322 -7.4133 -7.4133 -7.3752 -7.3752 -7.3519 -7.3519 -7.3146 -7.3146 -7.3029 -7.3029 -6.0198 -6.0198 -5.9443 -5.9443 0.9940 0.9940 1.9454 1.9454 2.2921 2.2921 2.6932 2.6932 2.9873 2.9873 3.4095 3.4095 4.6841 4.6841 4.9540 4.9540 8.5407 8.5407 9.1538 9.1538 10.6974 10.6974 10.7234 10.7234 k = 0.0000 0.7460 0.5882 ( 4084 PWs) bands (ev): -8.2319 -8.2319 -8.2275 -8.2275 -8.2030 -8.2030 -8.1957 -8.1957 -7.4319 -7.4319 -7.4156 -7.4156 -7.3740 -7.3740 -7.3537 -7.3537 -7.3137 -7.3137 -7.3034 -7.3034 -6.0086 -6.0086 -5.9436 -5.9436 1.0658 1.0658 1.9071 1.9071 2.3119 2.3119 2.6798 2.6798 2.9197 2.9197 3.3361 3.3361 4.7030 4.7030 4.9338 4.9338 8.5626 8.5626 9.0934 9.0934 10.7482 10.7482 10.7704 10.7704 k = 0.0000 0.7460 0.6092 ( 4088 PWs) bands (ev): -8.2320 -8.2320 -8.2283 -8.2283 -8.2024 -8.2024 -8.1963 -8.1963 -7.4314 -7.4314 -7.4178 -7.4178 -7.3726 -7.3726 -7.3555 -7.3555 -7.3127 -7.3127 -7.3040 -7.3040 -5.9982 -5.9982 -5.9438 -5.9438 1.1390 1.1390 1.8554 1.8554 2.3414 2.3414 2.6677 2.6677 2.8668 2.8668 3.2634 3.2634 4.7222 4.7222 4.9143 4.9143 8.5883 8.5883 9.0342 9.0342 10.7894 10.7894 10.8105 10.8105 k = 0.0000 0.7460 0.6302 ( 4092 PWs) bands (ev): -8.2320 -8.2320 -8.2290 -8.2290 -8.2018 -8.2018 -8.1968 -8.1968 -7.4308 -7.4308 -7.4199 -7.4199 -7.3712 -7.3712 -7.3574 -7.3574 -7.3118 -7.3118 -7.3047 -7.3047 -5.9885 -5.9885 -5.9449 -5.9449 1.2133 1.2133 1.7952 1.7952 2.3751 2.3751 2.6504 2.6504 2.8359 2.8359 3.1922 3.1922 4.7416 4.7416 4.8952 4.8952 8.6178 8.6178 8.9768 8.9768 10.8226 10.8226 10.8426 10.8426 k = 0.0000 0.7460 0.6512 ( 4090 PWs) bands (ev): -8.2319 -8.2319 -8.2297 -8.2297 -8.2012 -8.2012 -8.1974 -8.1974 -7.4300 -7.4300 -7.4218 -7.4218 -7.3697 -7.3697 -7.3592 -7.3592 -7.3108 -7.3108 -7.3054 -7.3054 -5.9798 -5.9798 -5.9470 -5.9470 1.2884 1.2884 1.7296 1.7296 2.4098 2.4098 2.6230 2.6230 2.8323 2.8323 3.1229 3.1229 4.7611 4.7611 4.8762 4.8762 8.6509 8.6509 8.9215 8.9215 10.8488 10.8488 10.8662 10.8662 k = 0.0000 0.7460 0.6722 ( 4092 PWs) bands (ev): -8.2318 -8.2318 -8.2303 -8.2303 -8.2005 -8.2005 -8.1980 -8.1980 -7.4291 -7.4291 -7.4236 -7.4236 -7.3681 -7.3681 -7.3611 -7.3611 -7.3098 -7.3098 -7.3062 -7.3062 -5.9719 -5.9719 -5.9500 -5.9500 1.3639 1.3639 1.6601 1.6601 2.4443 2.4443 2.5880 2.5880 2.8526 2.8526 3.0566 3.0566 4.7806 4.7806 4.8573 4.8573 8.6877 8.6877 8.8687 8.8687 10.8686 10.8686 10.8815 10.8815 k = 0.0000 0.7460 0.6932 ( 4094 PWs) bands (ev): -8.2315 -8.2315 -8.2308 -8.2308 -8.1999 -8.1999 -8.1986 -8.1986 -7.4279 -7.4279 -7.4252 -7.4252 -7.3664 -7.3664 -7.3629 -7.3629 -7.3089 -7.3089 -7.3071 -7.3071 -5.9650 -5.9650 -5.9540 -5.9540 1.4393 1.4393 1.5881 1.5881 2.4789 2.4789 2.5508 2.5508 2.8896 2.8896 2.9944 2.9944 4.8000 4.8000 4.8383 4.8383 8.7280 8.7280 8.8187 8.8187 10.8820 10.8820 10.8889 10.8889 k = 0.0000 0.7460 0.7142 ( 4084 PWs) bands (ev): -8.2312 -8.2312 -8.2312 -8.2312 -8.1993 -8.1993 -8.1993 -8.1993 -7.4266 -7.4266 -7.4266 -7.4266 -7.3647 -7.3647 -7.3647 -7.3647 -7.3079 -7.3079 -7.3079 -7.3079 -5.9590 -5.9590 -5.9590 -5.9590 1.5143 1.5143 1.5143 1.5143 2.5143 2.5143 2.5143 2.5143 2.9380 2.9380 2.9380 2.9380 4.8192 4.8192 4.8192 4.8192 8.7717 8.7717 8.7717 8.7717 10.8890 10.8890 10.8890 10.8890 k = 0.0000 0.7460 0.7142 ( 4084 PWs) bands (ev): -8.2312 -8.2312 -8.2312 -8.2312 -8.1993 -8.1993 -8.1993 -8.1993 -7.4266 -7.4266 -7.4266 -7.4266 -7.3647 -7.3647 -7.3647 -7.3647 -7.3079 -7.3079 -7.3079 -7.3079 -5.9590 -5.9590 -5.9590 -5.9590 1.5143 1.5143 1.5143 1.5143 2.5143 2.5143 2.5143 2.5143 2.9380 2.9380 2.9380 2.9380 4.8192 4.8192 4.8192 4.8192 8.7717 8.7717 8.7717 8.7717 10.8890 10.8890 10.8890 10.8890 k = 0.0205 0.7460 0.7142 ( 4088 PWs) bands (ev): -8.2316 -8.2316 -8.2307 -8.2307 -8.2001 -8.2001 -8.1985 -8.1985 -7.4282 -7.4282 -7.4250 -7.4250 -7.3651 -7.3651 -7.3643 -7.3643 -7.3086 -7.3086 -7.3073 -7.3073 -5.9593 -5.9593 -5.9589 -5.9589 1.5085 1.5085 1.5211 1.5211 2.4894 2.4894 2.5128 2.5128 2.9524 2.9524 2.9541 2.9541 4.8074 4.8074 4.8280 4.8280 8.7607 8.7607 8.7835 8.7835 10.8835 10.8835 10.8934 10.8934 k = 0.0410 0.7460 0.7142 ( 4084 PWs) bands (ev): -8.2321 -8.2321 -8.2301 -8.2301 -8.2009 -8.2009 -8.1977 -8.1977 -7.4296 -7.4296 -7.4233 -7.4233 -7.3656 -7.3656 -7.3639 -7.3639 -7.3093 -7.3093 -7.3066 -7.3066 -5.9597 -5.9597 -5.9588 -5.9588 1.5037 1.5037 1.5290 1.5290 2.4446 2.4446 2.4882 2.4882 2.9910 2.9910 2.9976 2.9976 4.7924 4.7924 4.8338 4.8338 8.7504 8.7504 8.7959 8.7959 10.8770 10.8770 10.8968 10.8968 k = 0.0615 0.7460 0.7142 ( 4088 PWs) bands (ev): -8.2325 -8.2325 -8.2295 -8.2295 -8.2017 -8.2017 -8.1970 -8.1970 -7.4309 -7.4309 -7.4216 -7.4216 -7.3661 -7.3661 -7.3636 -7.3636 -7.3099 -7.3099 -7.3060 -7.3060 -5.9602 -5.9602 -5.9589 -5.9589 1.4996 1.4996 1.5381 1.5381 2.3885 2.3885 2.4496 2.4496 3.0445 3.0445 3.0596 3.0596 4.7746 4.7746 4.8368 4.8368 8.7408 8.7408 8.8085 8.8085 10.8697 10.8697 10.8993 10.8993 k = 0.0820 0.7460 0.7142 ( 4086 PWs) bands (ev): -8.2328 -8.2328 -8.2289 -8.2289 -8.2025 -8.2025 -8.1963 -8.1963 -7.4322 -7.4322 -7.4199 -7.4199 -7.3666 -7.3666 -7.3633 -7.3633 -7.3106 -7.3106 -7.3053 -7.3053 -5.9609 -5.9609 -5.9592 -5.9592 1.4961 1.4961 1.5481 1.5481 2.3277 2.3277 2.4048 2.4048 3.1063 3.1063 3.1324 3.1324 4.7542 4.7542 4.8374 4.8374 8.7316 8.7316 8.8208 8.8208 10.8620 10.8620 10.9011 10.9011 k = 0.1025 0.7460 0.7142 ( 4084 PWs) bands (ev): -8.2332 -8.2332 -8.2283 -8.2283 -8.2033 -8.2033 -8.1956 -8.1956 -7.4332 -7.4332 -7.4181 -7.4181 -7.3672 -7.3672 -7.3631 -7.3631 -7.3111 -7.3111 -7.3048 -7.3048 -5.9616 -5.9616 -5.9596 -5.9596 1.4927 1.4927 1.5590 1.5590 2.2659 2.2659 2.3584 2.3584 3.1724 3.1724 3.2112 3.2112 4.7316 4.7316 4.8360 4.8360 8.7223 8.7223 8.8322 8.8322 10.8543 10.8543 10.9025 10.9025 k = 0.1230 0.7460 0.7142 ( 4080 PWs) bands (ev): -8.2334 -8.2334 -8.2277 -8.2277 -8.2041 -8.2041 -8.1950 -8.1950 -7.4341 -7.4341 -7.4164 -7.4164 -7.3677 -7.3677 -7.3628 -7.3628 -7.3117 -7.3117 -7.3042 -7.3042 -5.9624 -5.9624 -5.9601 -5.9601 1.4893 1.4893 1.5704 1.5704 2.2054 2.2054 2.3134 2.3134 3.2401 3.2401 3.2930 3.2930 4.7073 4.7073 4.8333 4.8333 8.7126 8.7126 8.8419 8.8419 10.8470 10.8470 10.9038 10.9038 k = 0.1435 0.7460 0.7142 ( 4082 PWs) bands (ev): -8.2337 -8.2337 -8.2271 -8.2271 -8.2048 -8.2048 -8.1945 -8.1945 -7.4349 -7.4349 -7.4148 -7.4148 -7.3683 -7.3683 -7.3627 -7.3627 -7.3122 -7.3122 -7.3037 -7.3037 -5.9634 -5.9634 -5.9607 -5.9607 1.4854 1.4854 1.5817 1.5817 2.1480 2.1480 2.2715 2.2715 3.3075 3.3075 3.3756 3.3756 4.6822 4.6822 4.8299 4.8299 8.7019 8.7019 8.8491 8.8491 10.8404 10.8404 10.9054 10.9054 k = 0.1640 0.7460 0.7142 ( 4084 PWs) bands (ev): -8.2338 -8.2338 -8.2264 -8.2264 -8.2055 -8.2055 -8.1940 -8.1940 -7.4355 -7.4355 -7.4132 -7.4132 -7.3689 -7.3689 -7.3625 -7.3625 -7.3126 -7.3126 -7.3033 -7.3033 -5.9644 -5.9644 -5.9616 -5.9616 1.4807 1.4807 1.5923 1.5923 2.0951 2.0951 2.2341 2.2341 3.3729 3.3729 3.4574 3.4574 4.6571 4.6571 4.8267 4.8267 8.6898 8.6898 8.8532 8.8532 10.8351 10.8351 10.9072 10.9072 k = 0.1845 0.7460 0.7142 ( 4082 PWs) bands (ev): -8.2340 -8.2340 -8.2258 -8.2258 -8.2061 -8.2061 -8.1935 -8.1935 -7.4359 -7.4359 -7.4118 -7.4118 -7.3694 -7.3694 -7.3623 -7.3623 -7.3130 -7.3130 -7.3029 -7.3029 -5.9656 -5.9656 -5.9625 -5.9625 1.4746 1.4746 1.6009 1.6009 2.0486 2.0486 2.2021 2.2021 3.4350 3.4350 3.5365 3.5365 4.6332 4.6332 4.8246 4.8246 8.6761 8.6761 8.8533 8.8533 10.8311 10.8311 10.9094 10.9094 k = 0.2050 0.7460 0.7142 ( 4076 PWs) bands (ev): -8.2341 -8.2341 -8.2252 -8.2252 -8.2066 -8.2066 -8.1932 -8.1932 -7.4362 -7.4362 -7.4106 -7.4106 -7.3699 -7.3699 -7.3622 -7.3622 -7.3133 -7.3133 -7.3026 -7.3026 -5.9668 -5.9668 -5.9636 -5.9636 1.4670 1.4670 1.6061 1.6061 2.0102 2.0102 2.1762 2.1762 3.4922 3.4922 3.6109 3.6109 4.6122 4.6122 4.8244 4.8244 8.6604 8.6604 8.8491 8.8491 10.8284 10.8284 10.9116 10.9116 k = 0.2255 0.7460 0.7142 ( 4074 PWs) bands (ev): -8.2342 -8.2342 -8.2247 -8.2247 -8.2070 -8.2070 -8.1929 -8.1929 -7.4363 -7.4363 -7.4095 -7.4095 -7.3703 -7.3703 -7.3621 -7.3621 -7.3135 -7.3135 -7.3024 -7.3024 -5.9681 -5.9681 -5.9649 -5.9649 1.4575 1.4575 1.6059 1.6059 1.9820 1.9820 2.1569 2.1569 3.5434 3.5434 3.6784 3.6784 4.5957 4.5957 4.8269 4.8269 8.6428 8.6428 8.8402 8.8402 10.8265 10.8265 10.9136 10.9136 k = 0.2460 0.7460 0.7142 ( 4082 PWs) bands (ev): -8.2342 -8.2342 -8.2242 -8.2242 -8.2073 -8.2073 -8.1927 -8.1927 -7.4362 -7.4362 -7.4087 -7.4087 -7.3706 -7.3706 -7.3620 -7.3620 -7.3136 -7.3136 -7.3022 -7.3022 -5.9695 -5.9695 -5.9663 -5.9663 1.4462 1.4462 1.5990 1.5990 1.9657 1.9657 2.1443 2.1443 3.5874 3.5874 3.7365 3.7365 4.5860 4.5860 4.8330 4.8330 8.6235 8.6235 8.8267 8.8267 10.8249 10.8249 10.9144 10.9144 k = 0.2665 0.7460 0.7142 ( 4076 PWs) bands (ev): -8.2341 -8.2341 -8.2239 -8.2239 -8.2075 -8.2075 -8.1926 -8.1926 -7.4359 -7.4359 -7.4081 -7.4081 -7.3708 -7.3708 -7.3619 -7.3619 -7.3137 -7.3137 -7.3021 -7.3021 -5.9710 -5.9710 -5.9678 -5.9678 1.4332 1.4332 1.5850 1.5850 1.9616 1.9616 2.1385 2.1385 3.6231 3.6231 3.7826 3.7826 4.5851 4.5851 4.8429 4.8429 8.6030 8.6030 8.8089 8.8089 10.8224 10.8224 10.9133 10.9133 k = 0.2870 0.7460 0.7142 ( 4080 PWs) bands (ev): -8.2341 -8.2341 -8.2236 -8.2236 -8.2075 -8.2075 -8.1925 -8.1925 -7.4354 -7.4354 -7.4077 -7.4077 -7.3709 -7.3709 -7.3619 -7.3619 -7.3137 -7.3137 -7.3021 -7.3021 -5.9725 -5.9725 -5.9695 -5.9695 1.4188 1.4188 1.5650 1.5650 1.9689 1.9689 2.1393 2.1393 3.6502 3.6502 3.8148 3.8148 4.5946 4.5946 4.8567 4.8567 8.5820 8.5820 8.7876 8.7876 10.8178 10.8178 10.9091 10.9091 k = 0.2870 0.7460 0.7142 ( 4080 PWs) bands (ev): -8.2341 -8.2341 -8.2236 -8.2236 -8.2075 -8.2075 -8.1925 -8.1925 -7.4354 -7.4354 -7.4077 -7.4077 -7.3709 -7.3709 -7.3619 -7.3619 -7.3137 -7.3137 -7.3021 -7.3021 -5.9725 -5.9725 -5.9695 -5.9695 1.4188 1.4188 1.5650 1.5650 1.9689 1.9689 2.1393 2.1393 3.6502 3.6502 3.8148 3.8148 4.5946 4.5946 4.8567 4.8567 8.5820 8.5820 8.7876 8.7876 10.8178 10.8178 10.9091 10.9091 k = 0.2794 0.7264 0.7142 ( 4072 PWs) bands (ev): -8.2343 -8.2343 -8.2242 -8.2242 -8.2076 -8.2076 -8.1925 -8.1925 -7.4369 -7.4369 -7.4081 -7.4081 -7.3709 -7.3709 -7.3620 -7.3620 -7.3138 -7.3138 -7.3020 -7.3020 -5.9684 -5.9684 -5.9649 -5.9649 1.4585 1.4585 1.6264 1.6264 1.9389 1.9389 2.1339 2.1339 3.5864 3.5864 3.7447 3.7447 4.5529 4.5529 4.8130 4.8130 8.6410 8.6410 8.8520 8.8520 10.8353 10.8353 10.9272 10.9272 k = 0.2719 0.7068 0.7142 ( 4068 PWs) bands (ev): -8.2344 -8.2344 -8.2248 -8.2248 -8.2078 -8.2078 -8.1925 -8.1925 -7.4382 -7.4382 -7.4083 -7.4083 -7.3709 -7.3709 -7.3621 -7.3621 -7.3140 -7.3140 -7.3020 -7.3020 -5.9653 -5.9653 -5.9613 -5.9613 1.4911 1.4911 1.6774 1.6774 1.9240 1.9240 2.1405 2.1405 3.5247 3.5247 3.6768 3.6768 4.5127 4.5127 4.7709 4.7709 8.6982 8.6982 8.9148 8.9148 10.8535 10.8535 10.9467 10.9467 k = 0.2643 0.6871 0.7142 ( 4064 PWs) bands (ev): -8.2345 -8.2345 -8.2253 -8.2253 -8.2079 -8.2079 -8.1925 -8.1925 -7.4394 -7.4394 -7.4084 -7.4084 -7.3709 -7.3709 -7.3621 -7.3621 -7.3142 -7.3142 -7.3020 -7.3020 -5.9631 -5.9631 -5.9586 -5.9586 1.5156 1.5156 1.7073 1.7073 1.9345 1.9345 2.1599 2.1599 3.4659 3.4659 3.6114 3.6114 4.4740 4.4740 4.7304 4.7304 8.7537 8.7537 8.9758 8.9758 10.8718 10.8718 10.9669 10.9669 k = 0.2568 0.6675 0.7142 ( 4060 PWs) bands (ev): -8.2345 -8.2345 -8.2256 -8.2256 -8.2080 -8.2080 -8.1925 -8.1925 -7.4404 -7.4404 -7.4082 -7.4082 -7.3710 -7.3710 -7.3621 -7.3621 -7.3144 -7.3144 -7.3020 -7.3020 -5.9619 -5.9619 -5.9569 -5.9569 1.5319 1.5319 1.7117 1.7117 1.9743 1.9743 2.1919 2.1919 3.4108 3.4108 3.5494 3.5494 4.4368 4.4368 4.6915 4.6915 8.8074 8.8074 9.0350 9.0350 10.8893 10.8893 10.9870 10.9870 k = 0.2492 0.6479 0.7142 ( 4064 PWs) bands (ev): -8.2344 -8.2344 -8.2259 -8.2259 -8.2081 -8.2081 -8.1924 -8.1924 -7.4412 -7.4412 -7.4078 -7.4078 -7.3710 -7.3710 -7.3621 -7.3621 -7.3146 -7.3146 -7.3020 -7.3020 -5.9618 -5.9618 -5.9563 -5.9563 1.5407 1.5407 1.6997 1.6997 2.0336 2.0336 2.2353 2.2353 3.3600 3.3600 3.4910 3.4910 4.4013 4.4013 4.6541 4.6541 8.8591 8.8591 9.0923 9.0923 10.9052 10.9052 11.0060 11.0060 k = 0.2417 0.6283 0.7142 ( 4064 PWs) bands (ev): -8.2342 -8.2342 -8.2261 -8.2261 -8.2082 -8.2082 -8.1924 -8.1924 -7.4418 -7.4418 -7.4071 -7.4071 -7.3711 -7.3711 -7.3620 -7.3620 -7.3149 -7.3149 -7.3021 -7.3021 -5.9626 -5.9626 -5.9566 -5.9566 1.5432 1.5432 1.6808 1.6808 2.1023 2.1023 2.2883 2.2883 3.3146 3.3146 3.4369 3.4369 4.3674 4.3674 4.6184 4.6184 8.9086 8.9086 9.1475 9.1475 10.9183 10.9183 11.0226 11.0226 k = 0.2341 0.6086 0.7142 ( 4068 PWs) bands (ev): -8.2339 -8.2339 -8.2262 -8.2262 -8.2082 -8.2082 -8.1923 -8.1923 -7.4422 -7.4422 -7.4063 -7.4063 -7.3711 -7.3711 -7.3619 -7.3619 -7.3151 -7.3151 -7.3022 -7.3022 -5.9644 -5.9644 -5.9580 -5.9580 1.5408 1.5408 1.6593 1.6593 2.1747 2.1747 2.3490 2.3490 3.2755 3.2755 3.3875 3.3875 4.3356 4.3356 4.5845 4.5845 8.9557 8.9557 9.2003 9.2003 10.9274 10.9274 11.0356 11.0356 k = 0.2266 0.5890 0.7142 ( 4068 PWs) bands (ev): -8.2336 -8.2336 -8.2262 -8.2262 -8.2083 -8.2083 -8.1922 -8.1922 -7.4424 -7.4424 -7.4053 -7.4053 -7.3712 -7.3712 -7.3618 -7.3618 -7.3154 -7.3154 -7.3024 -7.3024 -5.9673 -5.9673 -5.9603 -5.9603 1.5349 1.5349 1.6372 1.6372 2.2479 2.2479 2.4154 2.4154 3.2440 3.2440 3.3432 3.3432 4.3062 4.3062 4.5525 4.5525 9.0000 9.0000 9.2504 9.2504 10.9313 10.9313 11.0434 11.0434 k = 0.2190 0.5694 0.7142 ( 4068 PWs) bands (ev): -8.2332 -8.2332 -8.2261 -8.2261 -8.2084 -8.2084 -8.1921 -8.1921 -7.4424 -7.4424 -7.4041 -7.4041 -7.3713 -7.3713 -7.3617 -7.3617 -7.3157 -7.3157 -7.3025 -7.3025 -5.9710 -5.9710 -5.9637 -5.9637 1.5262 1.5262 1.6150 1.6150 2.3196 2.3196 2.4860 2.4860 3.2214 3.2214 3.3043 3.3043 4.2796 4.2796 4.5225 4.5225 9.0412 9.0412 9.2972 9.2972 10.9287 10.9287 11.0446 11.0446 k = 0.2115 0.5497 0.7142 ( 4060 PWs) bands (ev): -8.2328 -8.2328 -8.2258 -8.2258 -8.2085 -8.2085 -8.1920 -8.1920 -7.4422 -7.4422 -7.4027 -7.4027 -7.3715 -7.3715 -7.3615 -7.3615 -7.3160 -7.3160 -7.3027 -7.3027 -5.9757 -5.9757 -5.9680 -5.9680 1.5154 1.5154 1.5931 1.5931 2.3879 2.3879 2.5592 2.5592 3.2093 3.2093 3.2713 3.2713 4.2563 4.2563 4.4949 4.4949 9.0786 9.0786 9.3403 9.3403 10.9184 10.9184 11.0377 11.0377 k = 0.2039 0.5301 0.7142 ( 4066 PWs) bands (ev): -8.2323 -8.2323 -8.2255 -8.2255 -8.2086 -8.2086 -8.1919 -8.1919 -7.4418 -7.4418 -7.4012 -7.4012 -7.3716 -7.3716 -7.3613 -7.3613 -7.3164 -7.3164 -7.3030 -7.3030 -5.9813 -5.9813 -5.9732 -5.9732 1.5030 1.5030 1.5714 1.5714 2.4508 2.4508 2.6336 2.6336 3.2093 3.2093 3.2445 3.2445 4.2370 4.2370 4.4700 4.4700 9.1116 9.1116 9.3788 9.3788 10.8997 10.8997 11.0213 11.0213 k = 0.1964 0.5105 0.7142 ( 4070 PWs) bands (ev): -8.2317 -8.2317 -8.2250 -8.2250 -8.2087 -8.2087 -8.1918 -8.1918 -7.4412 -7.4412 -7.3994 -7.3994 -7.3718 -7.3718 -7.3611 -7.3611 -7.3168 -7.3168 -7.3032 -7.3032 -5.9877 -5.9877 -5.9792 -5.9792 1.4891 1.4891 1.5497 1.5497 2.5067 2.5067 2.7079 2.7079 3.2228 3.2228 3.2240 3.2240 4.2225 4.2225 4.4481 4.4481 9.1395 9.1395 9.4117 9.4117 10.8716 10.8716 10.9943 10.9943 k = 0.1888 0.4908 0.7142 ( 4070 PWs) bands (ev): -8.2311 -8.2311 -8.2245 -8.2245 -8.2088 -8.2088 -8.1916 -8.1916 -7.4404 -7.4404 -7.3975 -7.3975 -7.3720 -7.3720 -7.3608 -7.3608 -7.3172 -7.3172 -7.3035 -7.3035 -5.9949 -5.9949 -5.9861 -5.9861 1.4740 1.4740 1.5280 1.5280 2.5545 2.5545 2.7808 2.7808 3.2101 3.2101 3.2504 3.2504 4.2137 4.2137 4.4297 4.4297 9.1614 9.1614 9.4381 9.4381 10.8339 10.8339 10.9559 10.9559 k = 0.1813 0.4712 0.7142 ( 4066 PWs) bands (ev): -8.2304 -8.2304 -8.2239 -8.2239 -8.2089 -8.2089 -8.1915 -8.1915 -7.4394 -7.4394 -7.3954 -7.3954 -7.3722 -7.3722 -7.3605 -7.3605 -7.3176 -7.3176 -7.3038 -7.3038 -6.0028 -6.0028 -5.9937 -5.9937 1.4578 1.4578 1.5060 1.5060 2.5943 2.5943 2.8507 2.8507 3.2031 3.2031 3.2917 3.2917 4.2117 4.2117 4.4152 4.4152 9.1763 9.1763 9.4564 9.4564 10.7863 10.7863 10.9056 10.9056 k = 0.1737 0.4516 0.7142 ( 4070 PWs) bands (ev): -8.2298 -8.2298 -8.2231 -8.2231 -8.2090 -8.2090 -8.1913 -8.1913 -7.4382 -7.4382 -7.3932 -7.3932 -7.3725 -7.3725 -7.3602 -7.3602 -7.3180 -7.3180 -7.3042 -7.3042 -6.0113 -6.0113 -6.0019 -6.0019 1.4405 1.4405 1.4837 1.4837 2.6269 2.6269 2.9162 2.9162 3.2029 3.2029 3.3448 3.3448 4.2176 4.2176 4.4055 4.4055 9.1831 9.1831 9.4654 9.4654 10.7289 10.7289 10.8434 10.8434 k = 0.1662 0.4319 0.7142 ( 4070 PWs) bands (ev): -8.2290 -8.2290 -8.2223 -8.2223 -8.2090 -8.2090 -8.1912 -8.1912 -7.4369 -7.4369 -7.3908 -7.3908 -7.3728 -7.3728 -7.3598 -7.3598 -7.3184 -7.3184 -7.3046 -7.3046 -6.0203 -6.0203 -6.0108 -6.0108 1.4222 1.4222 1.4611 1.4611 2.6541 2.6541 2.9755 2.9755 3.2098 3.2098 3.4072 3.4072 4.2327 4.2327 4.4013 4.4013 9.1809 9.1809 9.4633 9.4633 10.6620 10.6620 10.7697 10.7697 k = 0.1586 0.4123 0.7142 ( 4058 PWs) bands (ev): -8.2283 -8.2283 -8.2214 -8.2214 -8.2091 -8.2091 -8.1910 -8.1910 -7.4354 -7.4354 -7.3883 -7.3883 -7.3731 -7.3731 -7.3594 -7.3594 -7.3189 -7.3189 -7.3050 -7.3050 -6.0298 -6.0298 -6.0202 -6.0202 1.4031 1.4031 1.4381 1.4381 2.6778 2.6778 3.0270 3.0270 3.2242 3.2242 3.4757 3.4757 4.2580 4.2580 4.4036 4.4036 9.1687 9.1687 9.4489 9.4489 10.5859 10.5859 10.6851 10.6851 k = 0.1511 0.3927 0.7142 ( 4062 PWs) bands (ev): -8.2276 -8.2276 -8.2205 -8.2205 -8.2092 -8.2092 -8.1909 -8.1909 -7.4337 -7.4337 -7.3858 -7.3858 -7.3734 -7.3734 -7.3590 -7.3590 -7.3193 -7.3193 -7.3054 -7.3054 -6.0398 -6.0398 -6.0300 -6.0300 1.3833 1.3833 1.4148 1.4148 2.6993 2.6993 3.0694 3.0694 3.2460 3.2460 3.5474 3.5474 4.2942 4.2942 4.4135 4.4135 9.1457 9.1457 9.4210 9.4210 10.5010 10.5010 10.5909 10.5909 k = 0.1435 0.3730 0.7142 ( 4062 PWs) bands (ev): -8.2268 -8.2268 -8.2196 -8.2196 -8.2092 -8.2092 -8.1907 -8.1907 -7.4319 -7.4319 -7.3831 -7.3831 -7.3738 -7.3738 -7.3585 -7.3585 -7.3198 -7.3198 -7.3059 -7.3059 -6.0500 -6.0500 -6.0402 -6.0402 1.3629 1.3629 1.3913 1.3913 2.7198 2.7198 3.1023 3.1023 3.2750 3.2750 3.6193 3.6193 4.3415 4.3415 4.4325 4.4325 9.1116 9.1116 9.3790 9.3790 10.4080 10.4080 10.4882 10.4882 k = 0.1359 0.3534 0.7142 ( 4078 PWs) bands (ev): -8.2260 -8.2260 -8.2186 -8.2186 -8.2092 -8.2092 -8.1906 -8.1906 -7.4300 -7.4300 -7.3804 -7.3804 -7.3741 -7.3741 -7.3580 -7.3580 -7.3203 -7.3203 -7.3064 -7.3064 -6.0604 -6.0604 -6.0506 -6.0506 1.3422 1.3422 1.3678 1.3678 2.7399 2.7399 3.1264 3.1264 3.3100 3.3100 3.6889 3.6889 4.3998 4.3998 4.4617 4.4617 9.0665 9.0665 9.3231 9.3231 10.3076 10.3076 10.3785 10.3785 k = 0.1284 0.3338 0.7142 ( 4076 PWs) bands (ev): -8.2253 -8.2253 -8.2176 -8.2176 -8.2091 -8.2091 -8.1905 -8.1905 -7.4279 -7.4279 -7.3778 -7.3778 -7.3743 -7.3743 -7.3574 -7.3574 -7.3208 -7.3208 -7.3069 -7.3069 -6.0710 -6.0710 -6.0612 -6.0612 1.3213 1.3213 1.3443 1.3443 2.7599 2.7599 3.1431 3.1431 3.3500 3.3500 3.7542 3.7542 4.4681 4.4681 4.5023 4.5023 9.0107 9.0107 9.2543 9.2543 10.2008 10.2008 10.2630 10.2630 k = 0.1208 0.3141 0.7142 ( 4060 PWs) bands (ev): -8.2245 -8.2245 -8.2167 -8.2167 -8.2089 -8.2089 -8.1904 -8.1904 -7.4257 -7.4257 -7.3762 -7.3762 -7.3735 -7.3735 -7.3568 -7.3568 -7.3213 -7.3213 -7.3075 -7.3075 -6.0815 -6.0815 -6.0719 -6.0719 1.3004 1.3004 1.3212 1.3212 2.7800 2.7800 3.1535 3.1535 3.3940 3.3940 3.8138 3.8138 4.5455 4.5455 4.5548 4.5548 8.9455 8.9455 9.1740 9.1740 10.0886 10.0886 10.1429 10.1429 k = 0.1133 0.2945 0.7142 ( 4068 PWs) bands (ev): -8.2238 -8.2238 -8.2158 -8.2158 -8.2087 -8.2087 -8.1903 -8.1903 -7.4235 -7.4235 -7.3762 -7.3762 -7.3711 -7.3711 -7.3562 -7.3562 -7.3218 -7.3218 -7.3081 -7.3081 -6.0920 -6.0920 -6.0826 -6.0826 1.2798 1.2798 1.2984 1.2984 2.8001 2.8001 3.1587 3.1587 3.4416 3.4416 3.8671 3.8671 4.6189 4.6189 4.6303 4.6303 8.8721 8.8721 9.0843 9.0843 9.9722 9.9722 10.0194 10.0194 k = 0.1057 0.2749 0.7142 ( 4068 PWs) bands (ev): -8.2231 -8.2231 -8.2151 -8.2151 -8.2083 -8.2083 -8.1902 -8.1902 -7.4212 -7.4212 -7.3767 -7.3767 -7.3683 -7.3683 -7.3555 -7.3555 -7.3223 -7.3223 -7.3087 -7.3087 -6.1023 -6.1023 -6.0931 -6.0931 1.2596 1.2596 1.2763 1.2763 2.8199 2.8199 3.1597 3.1597 3.4922 3.4922 3.9145 3.9145 4.6935 4.6935 4.7213 4.7213 8.7921 8.7921 8.9873 8.9873 9.8528 9.8528 9.8935 9.8935 k = 0.0982 0.2552 0.7142 ( 4060 PWs) bands (ev): -8.2224 -8.2224 -8.2146 -8.2146 -8.2077 -8.2077 -8.1902 -8.1902 -7.4188 -7.4188 -7.3773 -7.3773 -7.3654 -7.3654 -7.3547 -7.3547 -7.3228 -7.3228 -7.3093 -7.3093 -6.1123 -6.1123 -6.1035 -6.1035 1.2401 1.2401 1.2550 1.2550 2.8394 2.8394 3.1573 3.1573 3.5456 3.5456 3.9568 3.9568 4.7768 4.7768 4.8168 4.8168 8.7076 8.7076 8.8854 8.8854 9.7315 9.7315 9.7663 9.7663 k = 0.0906 0.2356 0.7142 ( 4056 PWs) bands (ev): -8.2217 -8.2217 -8.2142 -8.2142 -8.2069 -8.2069 -8.1902 -8.1902 -7.4164 -7.4164 -7.3779 -7.3779 -7.3626 -7.3626 -7.3540 -7.3540 -7.3233 -7.3233 -7.3100 -7.3100 -6.1220 -6.1220 -6.1135 -6.1135 1.2213 1.2213 1.2346 1.2346 2.8583 2.8583 3.1521 3.1521 3.6011 3.6011 3.9950 3.9950 4.8667 4.8667 4.9155 4.9155 8.6202 8.6202 8.7806 8.7806 9.6094 9.6094 9.6388 9.6388 k = 0.0831 0.2160 0.7142 ( 4048 PWs) bands (ev): -8.2211 -8.2211 -8.2140 -8.2140 -8.2060 -8.2060 -8.1902 -8.1902 -7.4140 -7.4140 -7.3786 -7.3786 -7.3599 -7.3599 -7.3532 -7.3532 -7.3237 -7.3237 -7.3107 -7.3107 -6.1313 -6.1313 -6.1232 -6.1232 1.2036 1.2036 1.2153 1.2153 2.8764 2.8764 3.1448 3.1448 3.6582 3.6582 4.0299 4.0299 4.9612 4.9612 5.0159 5.0159 8.5320 8.5320 8.6750 8.6750 9.4878 9.4878 9.5120 9.5120 k = 0.0755 0.1963 0.7142 ( 4052 PWs) bands (ev): -8.2205 -8.2205 -8.2139 -8.2139 -8.2050 -8.2050 -8.1903 -8.1903 -7.4116 -7.4116 -7.3794 -7.3794 -7.3572 -7.3572 -7.3523 -7.3523 -7.3241 -7.3241 -7.3115 -7.3115 -6.1400 -6.1400 -6.1324 -6.1324 1.1869 1.1869 1.1972 1.1972 2.8936 2.8936 3.1360 3.1360 3.7163 3.7163 4.0620 4.0620 5.0583 5.0583 5.1165 5.1165 8.4448 8.4448 8.5706 8.5706 9.3678 9.3678 9.3872 9.3872 k = 0.0680 0.1767 0.7142 ( 4048 PWs) bands (ev): -8.2199 -8.2199 -8.2139 -8.2139 -8.2039 -8.2039 -8.1905 -8.1905 -7.4092 -7.4092 -7.3803 -7.3803 -7.3547 -7.3547 -7.3515 -7.3515 -7.3245 -7.3245 -7.3123 -7.3123 -6.1481 -6.1481 -6.1411 -6.1411 1.1715 1.1715 1.1805 1.1805 2.9099 2.9099 3.1261 3.1261 3.7745 3.7745 4.0917 4.0917 5.1560 5.1560 5.2159 5.2159 8.3602 8.3602 8.4691 8.4691 9.2509 9.2509 9.2656 9.2656 k = 0.0604 0.1571 0.7142 ( 4048 PWs) bands (ev): -8.2193 -8.2193 -8.2140 -8.2140 -8.2028 -8.2028 -8.1907 -8.1907 -7.4069 -7.4069 -7.3812 -7.3812 -7.3524 -7.3524 -7.3506 -7.3506 -7.3248 -7.3248 -7.3132 -7.3132 -6.1555 -6.1555 -6.1491 -6.1491 1.1574 1.1574 1.1652 1.1652 2.9253 2.9253 3.1154 3.1154 3.8321 3.8321 4.1186 4.1186 5.2526 5.2526 5.3124 5.3124 8.2799 8.2799 8.3722 8.3722 9.1383 9.1383 9.1486 9.1486 k = 0.0529 0.1374 0.7142 ( 4044 PWs) bands (ev): -8.2188 -8.2188 -8.2141 -8.2141 -8.2017 -8.2017 -8.1910 -8.1910 -7.4046 -7.4046 -7.3821 -7.3821 -7.3503 -7.3503 -7.3497 -7.3497 -7.3250 -7.3250 -7.3141 -7.3141 -6.1622 -6.1622 -6.1565 -6.1565 1.1448 1.1448 1.1515 1.1515 2.9397 2.9397 3.1043 3.1043 3.8883 3.8883 4.1425 4.1425 5.3462 5.3462 5.4043 5.4043 8.2054 8.2054 8.2816 8.2816 9.0318 9.0318 9.0381 9.0381 k = 0.0453 0.1178 0.7142 ( 4050 PWs) bands (ev): -8.2183 -8.2183 -8.2143 -8.2143 -8.2006 -8.2006 -8.1913 -8.1913 -7.4024 -7.4024 -7.3832 -7.3832 -7.3488 -7.3488 -7.3485 -7.3485 -7.3250 -7.3250 -7.3150 -7.3150 -6.1680 -6.1680 -6.1630 -6.1630 1.1338 1.1338 1.1394 1.1394 2.9534 2.9534 3.0929 3.0929 3.9421 3.9421 4.1627 4.1627 5.4348 5.4348 5.4896 5.4896 8.1379 8.1379 8.1989 8.1989 8.9330 8.9330 8.9357 8.9357 k = 0.0378 0.0982 0.7142 ( 4054 PWs) bands (ev): -8.2178 -8.2178 -8.2145 -8.2145 -8.1995 -8.1995 -8.1917 -8.1917 -7.4003 -7.4003 -7.3843 -7.3843 -7.3479 -7.3479 -7.3470 -7.3470 -7.3249 -7.3249 -7.3160 -7.3160 -6.1730 -6.1730 -6.1688 -6.1688 1.1244 1.1244 1.1290 1.1290 2.9663 2.9663 3.0814 3.0814 3.9927 3.9927 4.1785 4.1785 5.5165 5.5165 5.5663 5.5663 8.0788 8.0788 8.1255 8.1255 8.8437 8.8437 8.8439 8.8439 k = 0.0302 0.0785 0.7142 ( 4050 PWs) bands (ev): -8.2174 -8.2174 -8.2147 -8.2147 -8.1984 -8.1984 -8.1922 -8.1922 -7.3983 -7.3983 -7.3855 -7.3855 -7.3471 -7.3471 -7.3459 -7.3459 -7.3245 -7.3245 -7.3171 -7.3171 -6.1771 -6.1771 -6.1736 -6.1736 1.1167 1.1167 1.1203 1.1203 2.9786 2.9786 3.0699 3.0699 4.0392 4.0392 4.1892 4.1892 5.5891 5.5891 5.6320 5.6320 8.0291 8.0291 8.0630 8.0630 8.7643 8.7643 8.7664 8.7664 k = 0.0227 0.0589 0.7142 ( 4042 PWs) bands (ev): -8.2170 -8.2170 -8.2150 -8.2150 -8.1974 -8.1974 -8.1927 -8.1927 -7.3963 -7.3963 -7.3867 -7.3867 -7.3463 -7.3463 -7.3451 -7.3451 -7.3240 -7.3240 -7.3181 -7.3181 -6.1801 -6.1801 -6.1775 -6.1775 1.1108 1.1108 1.1135 1.1135 2.9905 2.9905 3.0584 3.0584 4.0807 4.0807 4.1940 4.1940 5.6502 5.6502 5.6846 5.6846 7.9897 7.9897 8.0127 8.0127 8.6998 8.6998 8.7028 8.7028 k = 0.0151 0.0393 0.7142 ( 4038 PWs) bands (ev): -8.2166 -8.2166 -8.2152 -8.2152 -8.1965 -8.1965 -8.1933 -8.1933 -7.3945 -7.3945 -7.3881 -7.3881 -7.3457 -7.3457 -7.3447 -7.3447 -7.3233 -7.3233 -7.3192 -7.3192 -6.1822 -6.1822 -6.1805 -6.1805 1.1066 1.1066 1.1084 1.1084 3.0020 3.0020 3.0471 3.0471 4.1164 4.1164 4.1924 4.1924 5.6979 5.6979 5.7219 5.7219 7.9614 7.9614 7.9753 7.9753 8.6523 8.6523 8.6551 8.6551 k = 0.0076 0.0196 0.7142 ( 4042 PWs) bands (ev): -8.2162 -8.2162 -8.2155 -8.2155 -8.1956 -8.1956 -8.1940 -8.1940 -7.3927 -7.3927 -7.3895 -7.3895 -7.3451 -7.3451 -7.3446 -7.3446 -7.3224 -7.3224 -7.3203 -7.3203 -6.1833 -6.1833 -6.1825 -6.1825 1.1043 1.1043 1.1052 1.1052 3.0134 3.0134 3.0358 3.0358 4.1459 4.1459 4.1840 4.1840 5.7300 5.7300 5.7424 5.7424 7.9452 7.9452 7.9517 7.9517 8.6235 8.6235 8.6252 8.6252 k = 0.0000 0.0000 0.7142 ( 4038 PWs) bands (ev): -8.2159 -8.2159 -8.2159 -8.2159 -8.1948 -8.1948 -8.1948 -8.1948 -7.3911 -7.3911 -7.3911 -7.3911 -7.3447 -7.3447 -7.3447 -7.3447 -7.3214 -7.3214 -7.3214 -7.3214 -6.1834 -6.1834 -6.1834 -6.1834 1.1038 1.1038 1.1038 1.1038 3.0246 3.0246 3.0246 3.0246 4.1685 4.1685 4.1685 4.1685 5.7451 5.7451 5.7451 5.7451 7.9417 7.9417 7.9417 7.9417 8.6144 8.6144 8.6144 8.6144 k = 0.0000 0.0000 0.7142 ( 4038 PWs) bands (ev): -8.2159 -8.2159 -8.2159 -8.2159 -8.1948 -8.1948 -8.1948 -8.1948 -7.3911 -7.3911 -7.3911 -7.3911 -7.3447 -7.3447 -7.3447 -7.3447 -7.3214 -7.3214 -7.3214 -7.3214 -6.1834 -6.1834 -6.1834 -6.1834 1.1038 1.1038 1.1038 1.1038 3.0246 3.0246 3.0246 3.0246 4.1685 4.1685 4.1685 4.1685 5.7451 5.7451 5.7451 5.7451 7.9417 7.9417 7.9417 7.9417 8.6144 8.6144 8.6144 8.6144 k = 0.0000 0.0000 0.6932 ( 4042 PWs) bands (ev): -8.2161 -8.2161 -8.2157 -8.2157 -8.1950 -8.1950 -8.1945 -8.1945 -7.3922 -7.3922 -7.3900 -7.3900 -7.3454 -7.3454 -7.3441 -7.3441 -7.3222 -7.3222 -7.3205 -7.3205 -6.2049 -6.2049 -6.1623 -6.1623 1.1003 1.1003 1.1109 1.1109 2.9728 2.9728 3.0760 3.0760 4.1544 4.1544 4.1803 4.1803 5.7060 5.7060 5.7804 5.7804 7.8904 7.8904 8.0009 8.0009 8.5978 8.5978 8.6392 8.6392 k = 0.0000 0.0000 0.6722 ( 4042 PWs) bands (ev): -8.2163 -8.2163 -8.2155 -8.2155 -8.1953 -8.1953 -8.1943 -8.1943 -7.3934 -7.3934 -7.3890 -7.3890 -7.3461 -7.3461 -7.3434 -7.3434 -7.3228 -7.3228 -7.3195 -7.3195 -6.2268 -6.2268 -6.1417 -6.1417 1.1004 1.1004 1.1214 1.1214 2.9209 2.9209 3.1267 3.1267 4.1382 4.1382 4.1899 4.1899 5.6637 5.6637 5.8113 5.8113 7.8478 7.8478 8.0669 8.0669 8.5898 8.5898 8.6721 8.6721 k = 0.0000 0.0000 0.6512 ( 4050 PWs) bands (ev): -8.2165 -8.2165 -8.2153 -8.2153 -8.1957 -8.1957 -8.1942 -8.1942 -7.3947 -7.3947 -7.3882 -7.3882 -7.3468 -7.3468 -7.3429 -7.3429 -7.3233 -7.3233 -7.3185 -7.3185 -6.2489 -6.2489 -6.1216 -6.1216 1.1042 1.1042 1.1351 1.1351 2.8693 2.8693 3.1763 3.1763 4.1199 4.1199 4.1973 4.1973 5.6190 5.6190 5.8369 5.8369 7.8149 7.8149 8.1387 8.1387 8.5908 8.5908 8.7128 8.7128 k = 0.0000 0.0000 0.6302 ( 4054 PWs) bands (ev): -8.2167 -8.2167 -8.2152 -8.2152 -8.1960 -8.1960 -8.1941 -8.1941 -7.3959 -7.3959 -7.3874 -7.3874 -7.3474 -7.3474 -7.3426 -7.3426 -7.3236 -7.3236 -7.3174 -7.3174 -6.2713 -6.2713 -6.1021 -6.1021 1.1118 1.1118 1.1519 1.1519 2.8183 2.8183 3.2242 3.2242 4.0997 4.0997 4.2027 4.2027 5.5725 5.5725 5.8567 5.8567 7.7923 7.7923 8.2149 8.2149 8.6012 8.6012 8.7610 8.7610 k = 0.0000 0.0000 0.6092 ( 4054 PWs) bands (ev): -8.2170 -8.2170 -8.2150 -8.2150 -8.1964 -8.1964 -8.1940 -8.1940 -7.3973 -7.3973 -7.3867 -7.3867 -7.3479 -7.3479 -7.3424 -7.3424 -7.3237 -7.3237 -7.3164 -7.3164 -6.2938 -6.2938 -6.0832 -6.0832 1.1231 1.1231 1.1716 1.1716 2.7683 2.7683 3.2702 3.2702 4.0776 4.0776 4.2061 4.2061 5.5246 5.5246 5.8703 5.8703 7.7805 7.7805 8.2940 8.2940 8.6218 8.6218 8.8165 8.8165 k = 0.0000 0.0000 0.5882 ( 4058 PWs) bands (ev): -8.2172 -8.2172 -8.2149 -8.2149 -8.1968 -8.1968 -8.1939 -8.1939 -7.3986 -7.3986 -7.3861 -7.3861 -7.3484 -7.3484 -7.3424 -7.3424 -7.3235 -7.3235 -7.3153 -7.3153 -6.3164 -6.3164 -6.0650 -6.0650 1.1383 1.1383 1.1940 1.1940 2.7195 2.7195 3.3138 3.3138 4.0540 4.0540 4.2079 4.2079 5.4759 5.4759 5.8775 5.8775 7.7800 7.7800 8.3740 8.3740 8.6541 8.6541 8.8790 8.8790 k = 0.0000 0.0000 0.5672 ( 4062 PWs) bands (ev): -8.2175 -8.2175 -8.2147 -8.2147 -8.1972 -8.1972 -8.1939 -8.1939 -7.3999 -7.3999 -7.3857 -7.3857 -7.3487 -7.3487 -7.3426 -7.3426 -7.3231 -7.3231 -7.3142 -7.3142 -6.3390 -6.3390 -6.0475 -6.0475 1.1573 1.1573 1.2189 1.2189 2.6722 2.6722 3.3545 3.3545 4.0289 4.0289 4.2082 4.2082 5.4267 5.4267 5.8783 5.8783 7.7907 7.7907 8.4522 8.4522 8.6999 8.6999 8.9482 8.9482 k = 0.0000 0.0000 0.5461 ( 4068 PWs) bands (ev): -8.2177 -8.2177 -8.2146 -8.2146 -8.1976 -8.1976 -8.1939 -8.1939 -7.4013 -7.4013 -7.3853 -7.3853 -7.3490 -7.3490 -7.3430 -7.3430 -7.3225 -7.3225 -7.3131 -7.3131 -6.3614 -6.3614 -6.0307 -6.0307 1.1799 1.1799 1.2460 1.2460 2.6267 2.6267 3.3919 3.3919 4.0026 4.0026 4.2072 4.2072 5.3773 5.3773 5.8731 5.8731 7.8124 7.8124 8.5263 8.5263 8.7608 8.7608 9.0238 9.0238 k = 0.0000 0.0000 0.5251 ( 4068 PWs) bands (ev): -8.2180 -8.2180 -8.2146 -8.2146 -8.1980 -8.1980 -8.1940 -8.1940 -7.4026 -7.4026 -7.3851 -7.3851 -7.3492 -7.3492 -7.3436 -7.3436 -7.3218 -7.3218 -7.3119 -7.3119 -6.3838 -6.3838 -6.0147 -6.0147 1.2060 1.2060 1.2751 1.2751 2.5835 2.5835 3.4255 3.4255 3.9754 3.9754 4.2051 4.2051 5.3281 5.3281 5.8623 5.8623 7.8446 7.8446 8.5953 8.5953 8.8368 8.8368 9.1056 9.1056 k = 0.0000 0.0000 0.5041 ( 4058 PWs) bands (ev): -8.2182 -8.2182 -8.2145 -8.2145 -8.1985 -8.1985 -8.1941 -8.1941 -7.4040 -7.4040 -7.3850 -7.3850 -7.3493 -7.3493 -7.3442 -7.3442 -7.3208 -7.3208 -7.3108 -7.3108 -6.4059 -6.4059 -5.9994 -5.9994 1.2354 1.2354 1.3062 1.3062 2.5428 2.5428 3.4549 3.4549 3.9474 3.9474 4.2022 4.2022 5.2793 5.2793 5.8469 5.8469 7.8867 7.8867 8.6608 8.6608 8.9258 8.9258 9.1931 9.1931 k = 0.0000 0.0000 0.4831 ( 4062 PWs) bands (ev): -8.2185 -8.2185 -8.2145 -8.2145 -8.1989 -8.1989 -8.1942 -8.1942 -7.4053 -7.4053 -7.3850 -7.3850 -7.3494 -7.3494 -7.3449 -7.3449 -7.3198 -7.3198 -7.3097 -7.3097 -6.4277 -6.4277 -5.9850 -5.9850 1.2675 1.2675 1.3391 1.3391 2.5050 2.5050 3.4799 3.4799 3.9190 3.9190 4.1984 4.1984 5.2310 5.2310 5.8276 5.8276 7.9378 7.9378 8.7251 8.7251 9.0244 9.0244 9.2860 9.2860 k = 0.0000 0.0000 0.4621 ( 4060 PWs) bands (ev): -8.2188 -8.2188 -8.2144 -8.2144 -8.1993 -8.1993 -8.1943 -8.1943 -7.4066 -7.4066 -7.3850 -7.3850 -7.3496 -7.3496 -7.3456 -7.3456 -7.3188 -7.3188 -7.3086 -7.3086 -6.4491 -6.4491 -5.9713 -5.9713 1.3017 1.3017 1.3740 1.3740 2.4705 2.4705 3.5002 3.5002 3.8903 3.8903 4.1939 4.1939 5.1835 5.1835 5.8054 5.8054 7.9972 7.9972 8.7902 8.7902 9.1298 9.1298 9.3841 9.3841 k = 0.0000 0.0000 0.4411 ( 4060 PWs) bands (ev): -8.2191 -8.2191 -8.2144 -8.2144 -8.1997 -8.1997 -8.1945 -8.1945 -7.4079 -7.4079 -7.3852 -7.3852 -7.3499 -7.3499 -7.3460 -7.3460 -7.3177 -7.3177 -7.3075 -7.3075 -6.4701 -6.4701 -5.9584 -5.9584 1.3368 1.3368 1.4113 1.4113 2.4397 2.4397 3.5157 3.5157 3.8615 3.8615 4.1884 4.1884 5.1368 5.1368 5.7813 5.7813 8.0641 8.0641 8.8573 8.8573 9.2396 9.2396 9.4869 9.4869 k = 0.0000 0.0000 0.4201 ( 4048 PWs) bands (ev): -8.2194 -8.2194 -8.2145 -8.2145 -8.2001 -8.2001 -8.1947 -8.1947 -7.4091 -7.4091 -7.3854 -7.3854 -7.3503 -7.3503 -7.3463 -7.3463 -7.3166 -7.3166 -7.3063 -7.3063 -6.4905 -6.4905 -5.9463 -5.9463 1.3714 1.3714 1.4519 1.4519 2.4130 2.4130 3.5264 3.5264 3.8329 3.8329 4.1818 4.1818 5.0912 5.0912 5.7560 5.7560 8.1375 8.1375 8.9269 8.9269 9.3523 9.3523 9.5942 9.5942 k = 0.0000 0.0000 0.3991 ( 4048 PWs) bands (ev): -8.2197 -8.2197 -8.2145 -8.2145 -8.2005 -8.2005 -8.1949 -8.1949 -7.4103 -7.4103 -7.3856 -7.3856 -7.3510 -7.3510 -7.3463 -7.3463 -7.3156 -7.3156 -7.3052 -7.3052 -6.5104 -6.5104 -5.9350 -5.9350 1.4039 1.4039 1.4966 1.4966 2.3909 2.3909 3.5325 3.5325 3.8048 3.8048 4.1736 4.1736 5.0466 5.0466 5.7305 5.7305 8.2168 8.2168 8.9990 8.9990 9.4663 9.4663 9.7055 9.7055 k = 0.0000 0.0000 0.3781 ( 4046 PWs) bands (ev): -8.2200 -8.2200 -8.2146 -8.2146 -8.2009 -8.2009 -8.1951 -8.1951 -7.4114 -7.4114 -7.3859 -7.3859 -7.3518 -7.3518 -7.3462 -7.3462 -7.3146 -7.3146 -7.3041 -7.3041 -6.5296 -6.5296 -5.9245 -5.9245 1.4330 1.4330 1.5458 1.5458 2.3738 2.3738 3.5342 3.5342 3.7773 3.7773 4.1635 4.1635 5.0032 5.0032 5.7054 5.7054 8.3012 8.3012 9.0734 9.0734 9.5798 9.5798 9.8204 9.8204 k = 0.0000 0.0000 0.3571 ( 4050 PWs) bands (ev): -8.2203 -8.2203 -8.2147 -8.2147 -8.2012 -8.2012 -8.1953 -8.1953 -7.4126 -7.4126 -7.3862 -7.3862 -7.3527 -7.3527 -7.3460 -7.3460 -7.3136 -7.3136 -7.3029 -7.3029 -6.5482 -6.5482 -5.9147 -5.9147 1.4583 1.4583 1.5994 1.5994 2.3620 2.3620 3.5318 3.5318 3.7506 3.7506 4.1509 4.1509 4.9610 4.9610 5.6814 5.6814 8.3901 8.3901 9.1499 9.1499 9.6908 9.6908 9.9384 9.9384 k = 0.0000 0.0000 0.3361 ( 4054 PWs) bands (ev): -8.2206 -8.2206 -8.2148 -8.2148 -8.2016 -8.2016 -8.1955 -8.1955 -7.4136 -7.4136 -7.3866 -7.3866 -7.3536 -7.3536 -7.3457 -7.3457 -7.3127 -7.3127 -7.3018 -7.3018 -6.5659 -6.5659 -5.9057 -5.9057 1.4794 1.4794 1.6569 1.6569 2.3558 2.3558 3.5257 3.5257 3.7250 3.7250 4.1354 4.1354 4.9203 4.9203 5.6589 5.6589 8.4828 8.4828 9.2280 9.2280 9.7964 9.7964 10.0590 10.0590 k = 0.0000 0.0000 0.3151 ( 4058 PWs) bands (ev): -8.2209 -8.2209 -8.2150 -8.2150 -8.2018 -8.2018 -8.1958 -8.1958 -7.4146 -7.4146 -7.3870 -7.3870 -7.3545 -7.3545 -7.3454 -7.3454 -7.3119 -7.3119 -7.3006 -7.3006 -6.5829 -6.5829 -5.8974 -5.8974 1.4964 1.4964 1.7179 1.7179 2.3552 2.3552 3.5161 3.5161 3.7007 3.7007 4.1166 4.1166 4.8812 4.8812 5.6384 5.6384 8.5788 8.5788 9.3072 9.3072 9.8923 9.8923 10.1815 10.1815 k = 0.0000 0.0000 0.2941 ( 4066 PWs) bands (ev): -8.2212 -8.2212 -8.2152 -8.2152 -8.2021 -8.2021 -8.1960 -8.1960 -7.4156 -7.4156 -7.3873 -7.3873 -7.3554 -7.3554 -7.3450 -7.3450 -7.3112 -7.3112 -7.2995 -7.2995 -6.5989 -6.5989 -5.8897 -5.8897 1.5093 1.5093 1.7818 1.7818 2.3601 2.3601 3.5035 3.5035 3.6779 3.6779 4.0942 4.0942 4.8437 4.8437 5.6199 5.6199 8.6774 8.6774 9.3868 9.3868 9.9728 9.9728 10.3052 10.3052 k = 0.0000 0.0000 0.2731 ( 4066 PWs) bands (ev): -8.2214 -8.2214 -8.2154 -8.2154 -8.2024 -8.2024 -8.1962 -8.1962 -7.4164 -7.4164 -7.3877 -7.3877 -7.3563 -7.3563 -7.3447 -7.3447 -7.3106 -7.3106 -7.2984 -7.2984 -6.6141 -6.6141 -5.8828 -5.8828 1.5183 1.5183 1.8483 1.8483 2.3700 2.3700 3.4880 3.4880 3.6567 3.6567 4.0681 4.0681 4.8080 4.8080 5.6036 5.6036 8.7782 8.7782 9.4662 9.4662 10.0318 10.0318 10.4290 10.4290 k = 0.0000 0.0000 0.2521 ( 4066 PWs) bands (ev): -8.2217 -8.2217 -8.2155 -8.2155 -8.2026 -8.2026 -8.1964 -8.1964 -7.4173 -7.4173 -7.3881 -7.3881 -7.3572 -7.3572 -7.3443 -7.3443 -7.3100 -7.3100 -7.2973 -7.2973 -6.6283 -6.6283 -5.8765 -5.8765 1.5239 1.5239 1.9167 1.9167 2.3845 2.3845 3.4699 3.4699 3.6374 3.6374 4.0383 4.0383 4.7743 4.7743 5.5896 5.5896 8.8806 8.8806 9.5444 9.5444 10.0654 10.0654 10.5508 10.5508 k = 0.0000 0.0000 0.2311 ( 4078 PWs) bands (ev): -8.2220 -8.2220 -8.2158 -8.2158 -8.2028 -8.2028 -8.1966 -8.1966 -7.4180 -7.4180 -7.3884 -7.3884 -7.3580 -7.3580 -7.3440 -7.3440 -7.3095 -7.3095 -7.2963 -7.2963 -6.6415 -6.6415 -5.8708 -5.8708 1.5266 1.5266 1.9866 1.9866 2.4029 2.4029 3.4494 3.4494 3.6200 3.6200 4.0051 4.0051 4.7428 4.7428 5.5776 5.5776 8.9839 8.9839 9.6208 9.6208 10.0751 10.0751 10.6613 10.6613 k = 0.0000 0.0000 0.2101 ( 4074 PWs) bands (ev): -8.2223 -8.2223 -8.2160 -8.2160 -8.2029 -8.2029 -8.1968 -8.1968 -7.4187 -7.4187 -7.3887 -7.3887 -7.3587 -7.3587 -7.3437 -7.3437 -7.3090 -7.3090 -7.2953 -7.2953 -6.6537 -6.6537 -5.8657 -5.8657 1.5269 1.5269 2.0574 2.0574 2.4246 2.4246 3.4265 3.4265 3.6047 3.6047 3.9691 3.9691 4.7135 4.7135 5.5677 5.5677 9.0875 9.0875 9.6940 9.6940 10.0671 10.0671 10.6824 10.6824 k = 0.0000 0.0000 0.1891 ( 4062 PWs) bands (ev): -8.2225 -8.2225 -8.2162 -8.2162 -8.2031 -8.2031 -8.1970 -8.1970 -7.4193 -7.4193 -7.3891 -7.3891 -7.3594 -7.3594 -7.3434 -7.3434 -7.3086 -7.3086 -7.2944 -7.2944 -6.6648 -6.6648 -5.8611 -5.8611 1.5254 1.5254 2.1281 2.1281 2.4489 2.4489 3.4012 3.4012 3.5915 3.5915 3.9307 3.9307 4.6867 4.6867 5.5595 5.5595 9.1907 9.1907 9.7625 9.7625 10.0485 10.0485 10.6168 10.6168 k = 0.0000 0.0000 0.1680 ( 4058 PWs) bands (ev): -8.2227 -8.2227 -8.2164 -8.2164 -8.2032 -8.2032 -8.1971 -8.1971 -7.4199 -7.4199 -7.3893 -7.3893 -7.3600 -7.3600 -7.3431 -7.3431 -7.3083 -7.3083 -7.2936 -7.2936 -6.6748 -6.6748 -5.8572 -5.8572 1.5227 1.5227 2.1976 2.1976 2.4754 2.4754 3.3735 3.3735 3.5805 3.5805 3.8910 3.8910 4.6624 4.6624 5.5529 5.5529 9.2928 9.2928 9.8237 9.8237 10.0267 10.0267 10.5449 10.5449 k = 0.0000 0.0000 0.1470 ( 4056 PWs) bands (ev): -8.2229 -8.2229 -8.2166 -8.2166 -8.2033 -8.2033 -8.1973 -8.1973 -7.4204 -7.4204 -7.3896 -7.3896 -7.3606 -7.3606 -7.3429 -7.3429 -7.3080 -7.3080 -7.2928 -7.2928 -6.6837 -6.6837 -5.8537 -5.8537 1.5192 1.5192 2.2644 2.2644 2.5043 2.5043 3.3433 3.3433 3.5719 3.5719 3.8510 3.8510 4.6407 4.6407 5.5477 5.5477 9.3931 9.3931 9.8716 9.8716 10.0105 10.0105 10.4756 10.4756 k = 0.0000 0.0000 0.1260 ( 4062 PWs) bands (ev): -8.2231 -8.2231 -8.2167 -8.2167 -8.2034 -8.2034 -8.1974 -8.1974 -7.4208 -7.4208 -7.3899 -7.3899 -7.3611 -7.3611 -7.3427 -7.3427 -7.3078 -7.3078 -7.2921 -7.2921 -6.6914 -6.6914 -5.8508 -5.8508 1.5154 1.5154 2.3260 2.3260 2.5362 2.5362 3.3105 3.3105 3.5655 3.5655 3.8120 3.8120 4.6218 4.6218 5.5436 5.5436 9.4906 9.4906 9.8943 9.8943 10.0132 10.0132 10.4100 10.4100 k = 0.0000 0.0000 0.1050 ( 4061 PWs) bands (ev): -8.2233 -8.2233 -8.2169 -8.2169 -8.2035 -8.2035 -8.1975 -8.1975 -7.4212 -7.4212 -7.3901 -7.3901 -7.3615 -7.3615 -7.3425 -7.3425 -7.3076 -7.3076 -7.2916 -7.2916 -6.6980 -6.6980 -5.8483 -5.8483 1.5116 1.5116 2.3798 2.3798 2.5720 2.5720 3.2755 3.2755 3.5615 3.5615 3.7750 3.7750 4.6056 4.6056 5.5404 5.5404 9.5846 9.5846 9.8901 9.8901 10.0367 10.0367 10.3487 10.3487 k = 0.0000 0.0000 0.0840 ( 4069 PWs) bands (ev): -8.2234 -8.2234 -8.2170 -8.2170 -8.2036 -8.2036 -8.1976 -8.1976 -7.4215 -7.4215 -7.3902 -7.3902 -7.3619 -7.3619 -7.3423 -7.3423 -7.3074 -7.3074 -7.2911 -7.2911 -6.7034 -6.7034 -5.8463 -5.8463 1.5081 1.5081 2.4230 2.4230 2.6120 2.6120 3.2390 3.2390 3.5598 3.5598 3.7416 3.7416 4.5923 4.5923 5.5381 5.5381 9.6740 9.6740 9.8756 9.8756 10.0634 10.0634 10.2926 10.2926 k = 0.0000 0.0000 0.0630 ( 4073 PWs) bands (ev): -8.2235 -8.2235 -8.2171 -8.2171 -8.2036 -8.2036 -8.1977 -8.1977 -7.4217 -7.4217 -7.3904 -7.3904 -7.3621 -7.3621 -7.3422 -7.3422 -7.3073 -7.3073 -7.2907 -7.2907 -6.7076 -6.7076 -5.8448 -5.8448 1.5052 1.5052 2.4546 2.4546 2.6543 2.6543 3.2027 3.2027 3.5600 3.5600 3.7130 3.7130 4.5819 4.5819 5.5363 5.5363 9.7578 9.7578 9.8612 9.8612 10.0791 10.0791 10.2454 10.2454 k = 0.0000 0.0000 0.0420 ( 4081 PWs) bands (ev): -8.2236 -8.2236 -8.2172 -8.2172 -8.2036 -8.2036 -8.1977 -8.1977 -7.4219 -7.4219 -7.3905 -7.3905 -7.3623 -7.3623 -7.3422 -7.3422 -7.3072 -7.3072 -7.2904 -7.2904 -6.7107 -6.7107 -5.8437 -5.8437 1.5030 1.5030 2.4756 2.4756 2.6935 2.6935 3.1699 3.1699 3.5617 3.5617 3.6905 3.6905 4.5744 4.5744 5.5352 5.5352 9.8272 9.8272 9.8584 9.8584 10.0714 10.0714 10.2149 10.2149 k = 0.0000 0.0000 0.0210 ( 4083 PWs) bands (ev): -8.2236 -8.2236 -8.2172 -8.2172 -8.2037 -8.2037 -8.1978 -8.1978 -7.4220 -7.4220 -7.3905 -7.3905 -7.3624 -7.3624 -7.3421 -7.3421 -7.3072 -7.3072 -7.2902 -7.2902 -6.7125 -6.7125 -5.8430 -5.8430 1.5017 1.5017 2.4876 2.4876 2.7223 2.7223 3.1459 3.1459 3.5637 3.5637 3.6759 3.6759 4.5699 4.5699 5.5345 5.5345 9.8354 9.8354 9.9146 9.9146 10.0358 10.0358 10.2038 10.2038 k = 0.0000 0.0000 0.0000 ( 4075 PWs) bands (ev): -8.2236 -8.2236 -8.2173 -8.2173 -8.2037 -8.2037 -8.1978 -8.1978 -7.4220 -7.4220 -7.3905 -7.3905 -7.3625 -7.3625 -7.3421 -7.3421 -7.3072 -7.3072 -7.2902 -7.2902 -6.7131 -6.7131 -5.8428 -5.8428 1.5012 1.5012 2.4914 2.4914 2.7331 2.7331 3.1369 3.1369 3.5646 3.5646 3.6707 3.6707 4.5684 4.5684 5.5343 5.5343 9.8337 9.8337 9.9678 9.9678 9.9921 9.9921 10.2020 10.2020 k = 0.0000 0.0000 0.0000 ( 4075 PWs) bands (ev): -8.2236 -8.2236 -8.2173 -8.2173 -8.2037 -8.2037 -8.1978 -8.1978 -7.4220 -7.4220 -7.3905 -7.3905 -7.3625 -7.3625 -7.3421 -7.3421 -7.3072 -7.3072 -7.2902 -7.2902 -6.7131 -6.7131 -5.8428 -5.8428 1.5012 1.5012 2.4914 2.4914 2.7331 2.7331 3.1369 3.1369 3.5646 3.5646 3.6707 3.6707 4.5684 4.5684 5.5343 5.5343 9.8337 9.8337 9.9678 9.9678 9.9921 9.9921 10.2020 10.2020 k =-0.0192 0.0074 0.0000 ( 4079 PWs) bands (ev): -8.2238 -8.2238 -8.2171 -8.2171 -8.2036 -8.2036 -8.1978 -8.1978 -7.4220 -7.4220 -7.3905 -7.3905 -7.3625 -7.3625 -7.3421 -7.3421 -7.3072 -7.3072 -7.2902 -7.2902 -6.7125 -6.7125 -5.8436 -5.8436 1.4947 1.4947 2.4911 2.4911 2.7427 2.7427 3.1378 3.1378 3.5585 3.5585 3.6778 3.6778 4.5677 4.5677 5.5337 5.5337 9.8231 9.8231 9.9610 9.9610 10.0014 10.0014 10.2063 10.2063 k =-0.0385 0.0148 0.0000 ( 4073 PWs) bands (ev): -8.2241 -8.2241 -8.2167 -8.2167 -8.2036 -8.2036 -8.1978 -8.1978 -7.4220 -7.4220 -7.3904 -7.3904 -7.3626 -7.3626 -7.3420 -7.3420 -7.3074 -7.3074 -7.2901 -7.2901 -6.7108 -6.7108 -5.8461 -5.8461 1.4759 1.4759 2.4904 2.4904 2.7705 2.7705 3.1408 3.1408 3.5440 3.5440 3.6955 3.6955 4.5656 4.5656 5.5320 5.5320 9.7961 9.7961 9.9475 9.9475 10.0185 10.0185 10.2185 10.2185 k =-0.0577 0.0222 0.0000 ( 4061 PWs) bands (ev): -8.2246 -8.2246 -8.2161 -8.2161 -8.2035 -8.2035 -8.1978 -8.1978 -7.4220 -7.4220 -7.3902 -7.3902 -7.3627 -7.3627 -7.3419 -7.3419 -7.3076 -7.3076 -7.2901 -7.2901 -6.7078 -6.7078 -5.8502 -5.8502 1.4464 1.4464 2.4898 2.4898 2.8135 2.8135 3.1462 3.1462 3.5265 3.5265 3.7185 3.7185 4.5622 4.5622 5.5291 5.5291 9.7602 9.7602 9.9295 9.9295 10.0349 10.0349 10.2362 10.2362 k =-0.0769 0.0296 0.0000 ( 4061 PWs) bands (ev): -8.2252 -8.2252 -8.2154 -8.2154 -8.2033 -8.2033 -8.1978 -8.1978 -7.4220 -7.4220 -7.3899 -7.3899 -7.3628 -7.3628 -7.3417 -7.3417 -7.3079 -7.3079 -7.2900 -7.2900 -6.7038 -6.7038 -5.8559 -5.8559 1.4086 1.4086 2.4896 2.4896 2.8673 2.8673 3.1552 3.1552 3.5094 3.5094 3.7439 3.7439 4.5575 4.5575 5.5250 5.5250 9.7205 9.7205 9.9074 9.9074 10.0475 10.0475 10.2558 10.2558 k =-0.0962 0.0370 0.0000 ( 4065 PWs) bands (ev): -8.2258 -8.2258 -8.2146 -8.2146 -8.2031 -8.2031 -8.1978 -8.1978 -7.4220 -7.4220 -7.3896 -7.3896 -7.3630 -7.3630 -7.3415 -7.3415 -7.3083 -7.3083 -7.2898 -7.2898 -6.6985 -6.6985 -5.8632 -5.8632 1.3647 1.3647 2.4898 2.4898 2.9261 2.9261 3.1702 3.1702 3.4949 3.4949 3.7703 3.7703 4.5516 4.5516 5.5200 5.5200 9.6792 9.6792 9.8819 9.8819 10.0553 10.0553 10.2734 10.2734 k =-0.1154 0.0444 0.0000 ( 4070 PWs) bands (ev): -8.2264 -8.2264 -8.2138 -8.2138 -8.2029 -8.2029 -8.1979 -8.1979 -7.4219 -7.4219 -7.3892 -7.3892 -7.3632 -7.3632 -7.3412 -7.3412 -7.3087 -7.3087 -7.2897 -7.2897 -6.6922 -6.6922 -5.8720 -5.8720 1.3168 1.3168 2.4906 2.4906 2.9815 2.9815 3.1955 3.1955 3.4854 3.4854 3.7971 3.7971 4.5448 4.5448 5.5139 5.5139 9.6372 9.6372 9.8538 9.8538 10.0577 10.0577 10.2857 10.2857 k =-0.1346 0.0518 0.0000 ( 4070 PWs) bands (ev): -8.2270 -8.2270 -8.2130 -8.2130 -8.2026 -8.2026 -8.1979 -8.1979 -7.4219 -7.4219 -7.3888 -7.3888 -7.3634 -7.3634 -7.3409 -7.3409 -7.3092 -7.3092 -7.2896 -7.2896 -6.6847 -6.6847 -5.8824 -5.8824 1.2667 1.2667 2.4918 2.4918 3.0242 3.0242 3.2351 3.2351 3.4846 3.4846 3.8237 3.8237 4.5372 4.5372 5.5070 5.5070 9.5943 9.5943 9.8239 9.8239 10.0536 10.0536 10.2912 10.2912 k =-0.1538 0.0592 0.0000 ( 4072 PWs) bands (ev): -8.2276 -8.2276 -8.2122 -8.2122 -8.2022 -8.2022 -8.1980 -8.1980 -7.4218 -7.4218 -7.3884 -7.3884 -7.3636 -7.3636 -7.3405 -7.3405 -7.3098 -7.3098 -7.2895 -7.2895 -6.6761 -6.6761 -5.8941 -5.8941 1.2156 1.2156 2.4933 2.4933 3.0506 3.0506 3.2838 3.2838 3.4996 3.4996 3.8504 3.8504 4.5290 4.5290 5.4993 5.4993 9.5496 9.5496 9.7931 9.7931 10.0409 10.0409 10.2905 10.2905 k =-0.1731 0.0666 0.0000 ( 4066 PWs) bands (ev): -8.2281 -8.2281 -8.2115 -8.2115 -8.2018 -8.2018 -8.1980 -8.1980 -7.4217 -7.4217 -7.3879 -7.3879 -7.3639 -7.3639 -7.3401 -7.3401 -7.3104 -7.3104 -7.2894 -7.2894 -6.6664 -6.6664 -5.9071 -5.9071 1.1648 1.1648 2.4950 2.4950 3.0643 3.0643 3.3259 3.3259 3.5403 3.5403 3.8776 3.8776 4.5205 4.5205 5.4910 5.4910 9.5008 9.5008 9.7623 9.7623 10.0176 10.0176 10.2870 10.2870 k =-0.1923 0.0740 0.0000 ( 4068 PWs) bands (ev): -8.2287 -8.2287 -8.2108 -8.2108 -8.2013 -8.2013 -8.1980 -8.1980 -7.4216 -7.4216 -7.3875 -7.3875 -7.3642 -7.3642 -7.3396 -7.3396 -7.3111 -7.3111 -7.2893 -7.2893 -6.6557 -6.6557 -5.9214 -5.9214 1.1149 1.1149 2.4969 2.4969 3.0703 3.0703 3.3523 3.3523 3.6080 3.6080 3.9068 3.9068 4.5120 4.5120 5.4822 5.4822 9.4450 9.4450 9.7325 9.7325 9.9833 9.9833 10.2845 10.2845 k =-0.2115 0.0814 0.0000 ( 4060 PWs) bands (ev): -8.2292 -8.2292 -8.2102 -8.2102 -8.2007 -8.2007 -8.1981 -8.1981 -7.4215 -7.4215 -7.3871 -7.3871 -7.3645 -7.3645 -7.3391 -7.3391 -7.3118 -7.3118 -7.2892 -7.2892 -6.6439 -6.6439 -5.9369 -5.9369 1.0665 1.0665 2.4989 2.4989 3.0714 3.0714 3.3685 3.3685 3.6891 3.6891 3.9424 3.9424 4.5038 4.5038 5.4730 5.4730 9.3782 9.3782 9.7046 9.7046 9.9413 9.9413 10.2862 10.2862 k =-0.2308 0.0888 0.0000 ( 4054 PWs) bands (ev): -8.2296 -8.2296 -8.2096 -8.2096 -8.2001 -8.2001 -8.1981 -8.1981 -7.4213 -7.4213 -7.3867 -7.3867 -7.3648 -7.3648 -7.3386 -7.3386 -7.3125 -7.3125 -7.2892 -7.2892 -6.6313 -6.6313 -5.9534 -5.9534 1.0202 1.0202 2.5008 2.5008 3.0694 3.0694 3.3810 3.3810 3.7650 3.7650 3.9931 3.9931 4.4963 4.4963 5.4636 5.4636 9.2968 9.2968 9.6787 9.6787 9.8977 9.8977 10.2929 10.2929 k =-0.2500 0.0962 0.0000 ( 4058 PWs) bands (ev): -8.2300 -8.2300 -8.2092 -8.2092 -8.1994 -8.1994 -8.1982 -8.1982 -7.4211 -7.4211 -7.3863 -7.3863 -7.3650 -7.3650 -7.3380 -7.3380 -7.3133 -7.3133 -7.2892 -7.2892 -6.6177 -6.6177 -5.9708 -5.9708 0.9763 0.9763 2.5027 2.5027 3.0653 3.0653 3.3933 3.3933 3.8201 3.8201 4.0690 4.0690 4.4898 4.4898 5.4540 5.4540 9.1987 9.1987 9.6545 9.6545 9.8593 9.8593 10.3044 10.3044 k =-0.2692 0.1036 0.0000 ( 4054 PWs) bands (ev): -8.2304 -8.2304 -8.2088 -8.2088 -8.1988 -8.1988 -8.1981 -8.1981 -7.4209 -7.4209 -7.3860 -7.3860 -7.3653 -7.3653 -7.3374 -7.3374 -7.3140 -7.3140 -7.2892 -7.2892 -6.6033 -6.6033 -5.9891 -5.9891 0.9350 0.9350 2.5045 2.5045 3.0598 3.0598 3.4068 3.4068 3.8522 3.8522 4.1685 4.1685 4.4853 4.4853 5.4446 5.4446 9.0846 9.0846 9.6308 9.6308 9.8314 9.8314 10.3204 10.3204 k =-0.2885 0.1110 0.0000 ( 4046 PWs) bands (ev): -8.2308 -8.2308 -8.2084 -8.2084 -8.1985 -8.1985 -8.1977 -8.1977 -7.4207 -7.4207 -7.3858 -7.3858 -7.3655 -7.3655 -7.3367 -7.3367 -7.3148 -7.3148 -7.2892 -7.2892 -6.5881 -6.5881 -6.0080 -6.0080 0.8966 0.8966 2.5062 2.5062 3.0537 3.0537 3.4219 3.4219 3.8689 3.8689 4.2805 4.2805 4.4844 4.4844 5.4354 5.4354 8.9569 8.9569 9.6070 9.6070 9.8162 9.8162 10.3401 10.3401 k =-0.3077 0.1184 0.0000 ( 4040 PWs) bands (ev): -8.2311 -8.2311 -8.2081 -8.2081 -8.1985 -8.1985 -8.1971 -8.1971 -7.4204 -7.4204 -7.3856 -7.3856 -7.3657 -7.3657 -7.3360 -7.3360 -7.3156 -7.3156 -7.2893 -7.2893 -6.5724 -6.5724 -6.0273 -6.0273 0.8612 0.8612 2.5077 2.5077 3.0472 3.0472 3.4385 3.4385 3.8761 3.8761 4.3881 4.3881 4.4966 4.4966 5.4265 5.4265 8.8194 8.8194 9.5829 9.5829 9.8136 9.8136 10.3631 10.3631 k =-0.3269 0.1258 0.0000 ( 4042 PWs) bands (ev): -8.2314 -8.2314 -8.2079 -8.2079 -8.1985 -8.1985 -8.1964 -8.1964 -7.4201 -7.4201 -7.3855 -7.3855 -7.3659 -7.3659 -7.3353 -7.3353 -7.3163 -7.3163 -7.2893 -7.2893 -6.5562 -6.5562 -6.0470 -6.0470 0.8289 0.8289 2.5089 2.5089 3.0408 3.0408 3.4566 3.4566 3.8767 3.8767 4.4426 4.4426 4.5662 4.5662 5.4181 5.4181 8.6761 8.6761 9.5594 9.5594 9.8222 9.8222 10.3890 10.3890 k =-0.3462 0.1332 0.0000 ( 4046 PWs) bands (ev): -8.2317 -8.2317 -8.2077 -8.2077 -8.1986 -8.1986 -8.1957 -8.1957 -7.4199 -7.4199 -7.3854 -7.3854 -7.3661 -7.3661 -7.3346 -7.3346 -7.3171 -7.3171 -7.2894 -7.2894 -6.5398 -6.5398 -6.0666 -6.0666 0.7999 0.7999 2.5100 2.5100 3.0347 3.0347 3.4758 3.4758 3.8725 3.8725 4.4526 4.4526 4.6817 4.6817 5.4103 5.4103 8.5309 8.5309 9.5372 9.5372 9.8403 9.8403 10.4172 10.4172 k =-0.3654 0.1406 0.0000 ( 4040 PWs) bands (ev): -8.2319 -8.2319 -8.2075 -8.2075 -8.1986 -8.1986 -8.1951 -8.1951 -7.4196 -7.4196 -7.3854 -7.3854 -7.3662 -7.3662 -7.3339 -7.3339 -7.3179 -7.3179 -7.2895 -7.2895 -6.5233 -6.5233 -6.0861 -6.0861 0.7742 0.7742 2.5109 2.5109 3.0291 3.0291 3.4959 3.4959 3.8645 3.8645 4.4551 4.4551 4.8034 4.8034 5.4031 5.4031 8.3875 8.3875 9.5169 9.5169 9.8663 9.8663 10.4471 10.4471 k =-0.3846 0.1480 0.0000 ( 4048 PWs) bands (ev): -8.2321 -8.2321 -8.2073 -8.2073 -8.1986 -8.1986 -8.1945 -8.1945 -7.4193 -7.4193 -7.3855 -7.3855 -7.3663 -7.3663 -7.3332 -7.3332 -7.3186 -7.3186 -7.2896 -7.2896 -6.5072 -6.5072 -6.1049 -6.1049 0.7518 0.7518 2.5116 2.5116 3.0242 3.0242 3.5163 3.5163 3.8536 3.8536 4.4562 4.4562 4.9222 4.9222 5.3968 5.3968 8.2495 8.2495 9.4988 9.4988 9.8992 9.8992 10.4778 10.4778 k =-0.4038 0.1554 0.0000 ( 4050 PWs) bands (ev): -8.2322 -8.2322 -8.2072 -8.2072 -8.1987 -8.1987 -8.1940 -8.1940 -7.4191 -7.4191 -7.3855 -7.3855 -7.3664 -7.3664 -7.3326 -7.3326 -7.3192 -7.3192 -7.2897 -7.2897 -6.4917 -6.4917 -6.1227 -6.1227 0.7328 0.7328 2.5121 2.5121 3.0199 3.0199 3.5367 3.5367 3.8407 3.8407 4.4571 4.4571 5.0339 5.0339 5.3913 5.3913 8.1208 8.1208 9.4833 9.4833 9.9377 9.9377 10.5078 10.5078 k =-0.4231 0.1628 0.0000 ( 4044 PWs) bands (ev): -8.2324 -8.2324 -8.2071 -8.2071 -8.1987 -8.1987 -8.1936 -8.1936 -7.4189 -7.4189 -7.3856 -7.3856 -7.3664 -7.3664 -7.3320 -7.3320 -7.3198 -7.3198 -7.2898 -7.2898 -6.4775 -6.4775 -6.1388 -6.1388 0.7172 0.7172 2.5125 2.5125 3.0164 3.0164 3.5564 3.5564 3.8269 3.8269 4.4580 4.4580 5.1347 5.1347 5.3866 5.3866 8.0057 8.0057 9.4705 9.4705 9.9805 9.9805 10.5335 10.5335 k =-0.4423 0.1702 0.0000 ( 4048 PWs) bands (ev): -8.2325 -8.2325 -8.2071 -8.2071 -8.1987 -8.1987 -8.1933 -8.1933 -7.4187 -7.4187 -7.3857 -7.3857 -7.3664 -7.3664 -7.3314 -7.3314 -7.3204 -7.3204 -7.2899 -7.2899 -6.4652 -6.4652 -6.1527 -6.1527 0.7051 0.7051 2.5128 2.5128 3.0137 3.0137 3.5743 3.5743 3.8132 3.8132 4.4587 4.4587 5.2204 5.2204 5.3827 5.3827 7.9086 7.9086 9.4604 9.4604 10.0258 10.0258 10.5338 10.5338 k =-0.4615 0.1775 0.0000 ( 4050 PWs) bands (ev): -8.2325 -8.2325 -8.2070 -8.2070 -8.1988 -8.1988 -8.1930 -8.1930 -7.4186 -7.4186 -7.3858 -7.3858 -7.3665 -7.3665 -7.3310 -7.3310 -7.3208 -7.3208 -7.2900 -7.2900 -6.4555 -6.4555 -6.1635 -6.1635 0.6964 0.6964 2.5130 2.5130 3.0117 3.0117 3.5891 3.5891 3.8012 3.8012 4.4593 4.4593 5.2866 5.2866 5.3794 5.3794 7.8345 7.8345 9.4532 9.4532 10.0700 10.0700 10.4831 10.4831 k =-0.4808 0.1849 0.0000 ( 4054 PWs) bands (ev): -8.2326 -8.2326 -8.2070 -8.2070 -8.1988 -8.1988 -8.1929 -8.1929 -7.4185 -7.4185 -7.3858 -7.3858 -7.3665 -7.3665 -7.3308 -7.3308 -7.3210 -7.3210 -7.2900 -7.2900 -6.4492 -6.4492 -6.1704 -6.1704 0.6912 0.6912 2.5131 2.5131 3.0106 3.0106 3.5992 3.5992 3.7927 3.7927 4.4597 4.4597 5.3296 5.3296 5.3764 5.3764 7.7878 7.7878 9.4488 9.4488 10.1058 10.1058 10.4361 10.4361 k =-0.5000 0.1923 0.0000 ( 4050 PWs) bands (ev): -8.2326 -8.2326 -8.2070 -8.2070 -8.1988 -8.1988 -8.1928 -8.1928 -7.4185 -7.4185 -7.3858 -7.3858 -7.3665 -7.3665 -7.3307 -7.3307 -7.3211 -7.3211 -7.2900 -7.2900 -6.4471 -6.4471 -6.1728 -6.1728 0.6894 0.6894 2.5131 2.5131 3.0102 3.0102 3.6029 3.6029 3.7897 3.7897 4.4598 4.4598 5.3453 5.3453 5.3743 5.3743 7.7718 7.7718 9.4474 9.4474 10.1205 10.1205 10.4173 10.4173 k =-0.5000 0.1923 0.0000 ( 4050 PWs) bands (ev): -8.2326 -8.2326 -8.2070 -8.2070 -8.1988 -8.1988 -8.1928 -8.1928 -7.4185 -7.4185 -7.3858 -7.3858 -7.3665 -7.3665 -7.3307 -7.3307 -7.3211 -7.3211 -7.2900 -7.2900 -6.4471 -6.4471 -6.1728 -6.1728 0.6894 0.6894 2.5131 2.5131 3.0102 3.0102 3.6029 3.6029 3.7897 3.7897 4.4598 4.4598 5.3453 5.3453 5.3743 5.3743 7.7718 7.7718 9.4474 9.4474 10.1205 10.1205 10.4173 10.4173 k =-0.4927 0.2114-0.0000 ( 4054 PWs) bands (ev): -8.2326 -8.2326 -8.2070 -8.2070 -8.1988 -8.1988 -8.1928 -8.1928 -7.4184 -7.4184 -7.3858 -7.3858 -7.3665 -7.3665 -7.3306 -7.3306 -7.3212 -7.3212 -7.2900 -7.2900 -6.4466 -6.4466 -6.1728 -6.1728 0.6865 0.6865 2.5119 2.5119 3.0107 3.0107 3.6029 3.6029 3.7913 3.7913 4.4593 4.4593 5.3466 5.3466 5.3766 5.3766 7.7718 7.7718 9.4422 9.4422 10.1237 10.1237 10.4188 10.4188 k =-0.4853 0.2305-0.0000 ( 4052 PWs) bands (ev): -8.2326 -8.2326 -8.2069 -8.2069 -8.1988 -8.1988 -8.1928 -8.1928 -7.4183 -7.4183 -7.3858 -7.3858 -7.3665 -7.3665 -7.3306 -7.3306 -7.3212 -7.3212 -7.2900 -7.2900 -6.4452 -6.4452 -6.1727 -6.1727 0.6778 0.6778 2.5080 2.5080 3.0124 3.0124 3.6033 3.6033 3.7962 3.7962 4.4579 4.4579 5.3492 5.3492 5.3844 5.3844 7.7720 7.7720 9.4268 9.4268 10.1334 10.1334 10.4233 10.4233 k =-0.4780 0.2496-0.0000 ( 4052 PWs) bands (ev): -8.2325 -8.2325 -8.2069 -8.2069 -8.1988 -8.1988 -8.1928 -8.1928 -7.4181 -7.4181 -7.3858 -7.3858 -7.3666 -7.3666 -7.3305 -7.3305 -7.3213 -7.3213 -7.2900 -7.2900 -6.4430 -6.4430 -6.1726 -6.1726 0.6636 0.6636 2.5012 2.5012 3.0157 3.0157 3.6039 3.6039 3.8042 3.8042 4.4558 4.4558 5.3510 5.3510 5.3995 5.3995 7.7725 7.7725 9.4015 9.4015 10.1491 10.1491 10.4308 10.4308 k =-0.4706 0.2687-0.0000 ( 4058 PWs) bands (ev): -8.2325 -8.2325 -8.2069 -8.2069 -8.1988 -8.1988 -8.1927 -8.1927 -7.4178 -7.4178 -7.3858 -7.3858 -7.3667 -7.3667 -7.3304 -7.3304 -7.3214 -7.3214 -7.2899 -7.2899 -6.4398 -6.4398 -6.1724 -6.1724 0.6441 0.6441 2.4910 2.4910 3.0208 3.0208 3.6051 3.6051 3.8149 3.8149 4.4534 4.4534 5.3514 5.3514 5.4220 5.4220 7.7734 7.7734 9.3671 9.3671 10.1703 10.1703 10.4412 10.4412 k =-0.4633 0.2878-0.0000 ( 4050 PWs) bands (ev): -8.2324 -8.2324 -8.2069 -8.2069 -8.1988 -8.1988 -8.1926 -8.1926 -7.4175 -7.4175 -7.3858 -7.3858 -7.3668 -7.3668 -7.3302 -7.3302 -7.3216 -7.3216 -7.2899 -7.2899 -6.4357 -6.4357 -6.1723 -6.1723 0.6199 0.6199 2.4767 2.4767 3.0283 3.0283 3.6070 3.6070 3.8283 3.8283 4.4510 4.4510 5.3506 5.3506 5.4508 5.4508 7.7750 7.7750 9.3241 9.3241 10.1958 10.1958 10.4536 10.4536 k =-0.4559 0.3069-0.0000 ( 4052 PWs) bands (ev): -8.2323 -8.2323 -8.2069 -8.2069 -8.1989 -8.1989 -8.1925 -8.1925 -7.4170 -7.4170 -7.3858 -7.3858 -7.3669 -7.3669 -7.3301 -7.3301 -7.3218 -7.3218 -7.2898 -7.2898 -6.4308 -6.4308 -6.1721 -6.1721 0.5913 0.5913 2.4581 2.4581 3.0384 3.0384 3.6096 3.6096 3.8440 3.8440 4.4489 4.4489 5.3487 5.3487 5.4850 5.4850 7.7777 7.7777 9.2737 9.2737 10.2235 10.2235 10.4661 10.4661 k =-0.4486 0.3260-0.0000 ( 4038 PWs) bands (ev): -8.2322 -8.2322 -8.2069 -8.2069 -8.1989 -8.1989 -8.1924 -8.1924 -7.4165 -7.4165 -7.3858 -7.3858 -7.3670 -7.3670 -7.3299 -7.3299 -7.3220 -7.3220 -7.2897 -7.2897 -6.4250 -6.4250 -6.1719 -6.1719 0.5591 0.5591 2.4349 2.4349 3.0515 3.0515 3.6132 3.6132 3.8618 3.8618 4.4477 4.4477 5.3457 5.3457 5.5238 5.5238 7.7819 7.7819 9.2166 9.2166 10.2491 10.2491 10.4741 10.4741 k =-0.4412 0.3451-0.0000 ( 4040 PWs) bands (ev): -8.2320 -8.2320 -8.2068 -8.2068 -8.1989 -8.1989 -8.1923 -8.1923 -7.4159 -7.4159 -7.3858 -7.3858 -7.3672 -7.3672 -7.3296 -7.3296 -7.3223 -7.3223 -7.2897 -7.2897 -6.4184 -6.4184 -6.1718 -6.1718 0.5237 0.5237 2.4070 2.4070 3.0673 3.0673 3.6178 3.6178 3.8814 3.8814 4.4475 4.4475 5.3416 5.3416 5.5663 5.5663 7.7878 7.7878 9.1540 9.1540 10.2637 10.2637 10.4714 10.4714 k =-0.4339 0.3642-0.0000 ( 4038 PWs) bands (ev): -8.2319 -8.2319 -8.2068 -8.2068 -8.1990 -8.1990 -8.1922 -8.1922 -7.4153 -7.4153 -7.3858 -7.3858 -7.3674 -7.3674 -7.3294 -7.3294 -7.3226 -7.3226 -7.2896 -7.2896 -6.4109 -6.4109 -6.1718 -6.1718 0.4857 0.4857 2.3747 2.3747 3.0856 3.0856 3.6234 3.6234 3.9026 3.9026 4.4486 4.4486 5.3364 5.3364 5.6120 5.6120 7.7958 7.7958 9.0869 9.0869 10.2509 10.2509 10.4539 10.4539 k =-0.4266 0.3833-0.0000 ( 4040 PWs) bands (ev): -8.2317 -8.2317 -8.2068 -8.2068 -8.1990 -8.1990 -8.1921 -8.1921 -7.4146 -7.4146 -7.3858 -7.3858 -7.3676 -7.3676 -7.3291 -7.3291 -7.3228 -7.3228 -7.2895 -7.2895 -6.4027 -6.4027 -6.1719 -6.1719 0.4458 0.4458 2.3385 2.3385 3.1060 3.1060 3.6301 3.6301 3.9253 3.9253 4.4512 4.4512 5.3300 5.3300 5.6602 5.6602 7.8064 7.8064 9.0162 9.0162 10.1967 10.1967 10.4231 10.4231 k =-0.4192 0.4024-0.0000 ( 4047 PWs) bands (ev): -8.2316 -8.2316 -8.2067 -8.2067 -8.1991 -8.1991 -8.1919 -8.1919 -7.4139 -7.4139 -7.3858 -7.3858 -7.3678 -7.3678 -7.3288 -7.3288 -7.3232 -7.3232 -7.2894 -7.2894 -6.3937 -6.3937 -6.1721 -6.1721 0.4045 0.4045 2.2988 2.2988 3.1280 3.1280 3.6377 3.6377 3.9491 3.9491 4.4553 4.4553 5.3226 5.3226 5.7104 5.7104 7.8196 7.8196 8.9430 8.9430 10.1073 10.1073 10.3824 10.3824 k =-0.4119 0.4215-0.0000 ( 4043 PWs) bands (ev): -8.2314 -8.2314 -8.2067 -8.2067 -8.1991 -8.1991 -8.1918 -8.1918 -7.4131 -7.4131 -7.3858 -7.3858 -7.3680 -7.3680 -7.3286 -7.3286 -7.3235 -7.3235 -7.2893 -7.2893 -6.3839 -6.3839 -6.1725 -6.1725 0.3624 0.3624 2.2561 2.2561 3.1510 3.1510 3.6463 3.6463 3.9739 3.9739 4.4611 4.4611 5.3142 5.3142 5.7620 5.7620 7.8358 7.8358 8.8682 8.8682 9.9985 9.9985 10.3334 10.3334 k =-0.4045 0.4406-0.0000 ( 4043 PWs) bands (ev): -8.2312 -8.2312 -8.2066 -8.2066 -8.1992 -8.1992 -8.1917 -8.1917 -7.4123 -7.4123 -7.3859 -7.3859 -7.3682 -7.3682 -7.3282 -7.3282 -7.3238 -7.3238 -7.2892 -7.2892 -6.3735 -6.3735 -6.1731 -6.1731 0.3199 0.3199 2.2112 2.2112 3.1742 3.1742 3.6559 3.6559 3.9994 3.9994 4.4684 4.4684 5.3050 5.3050 5.8148 5.8148 7.8549 7.8549 8.7928 8.7928 9.8806 9.8806 10.2766 10.2766 k =-0.3972 0.4596-0.0000 ( 4055 PWs) bands (ev): -8.2310 -8.2310 -8.2066 -8.2066 -8.1992 -8.1992 -8.1916 -8.1916 -7.4114 -7.4114 -7.3859 -7.3859 -7.3684 -7.3684 -7.3279 -7.3279 -7.3241 -7.3241 -7.2891 -7.2891 -6.3624 -6.3624 -6.1741 -6.1741 0.2775 0.2775 2.1645 2.1645 3.1971 3.1971 3.6664 3.6664 4.0253 4.0253 4.4774 4.4774 5.2955 5.2955 5.8683 5.8683 7.8770 7.8770 8.7179 8.7179 9.7589 9.7589 10.2128 10.2128 k =-0.3898 0.4787-0.0000 ( 4043 PWs) bands (ev): -8.2308 -8.2308 -8.2065 -8.2065 -8.1993 -8.1993 -8.1915 -8.1915 -7.4105 -7.4105 -7.3860 -7.3860 -7.3686 -7.3686 -7.3276 -7.3276 -7.3244 -7.3244 -7.2890 -7.2890 -6.3506 -6.3506 -6.1753 -6.1753 0.2357 0.2357 2.1165 2.1165 3.2190 3.2190 3.6780 3.6780 4.0514 4.0514 4.4879 4.4879 5.2860 5.2860 5.9220 5.9220 7.9017 7.9017 8.6443 8.6443 9.6364 9.6364 10.1428 10.1428 k =-0.3825 0.4978-0.0000 ( 4059 PWs) bands (ev): -8.2306 -8.2306 -8.2065 -8.2065 -8.1993 -8.1993 -8.1914 -8.1914 -7.4096 -7.4096 -7.3861 -7.3861 -7.3688 -7.3688 -7.3274 -7.3274 -7.3247 -7.3247 -7.2889 -7.2889 -6.3383 -6.3383 -6.1768 -6.1768 0.1950 0.1950 2.0679 2.0679 3.2392 3.2392 3.6906 3.6906 4.0774 4.0774 4.4999 4.4999 5.2769 5.2769 5.9757 5.9757 7.9285 7.9285 8.5733 8.5733 9.5146 9.5146 10.0674 10.0674 k =-0.3751 0.5169-0.0000 ( 4071 PWs) bands (ev): -8.2303 -8.2303 -8.2064 -8.2064 -8.1994 -8.1994 -8.1913 -8.1913 -7.4088 -7.4088 -7.3862 -7.3862 -7.3689 -7.3689 -7.3271 -7.3271 -7.3250 -7.3250 -7.2888 -7.2888 -6.3254 -6.3254 -6.1788 -6.1788 0.1556 0.1556 2.0190 2.0190 3.2570 3.2570 3.7045 3.7045 4.1027 4.1027 4.5133 4.5133 5.2690 5.2690 6.0290 6.0290 7.9564 7.9564 8.5063 8.5063 9.3947 9.3947 9.9874 9.9874 k =-0.3678 0.5360-0.0000 ( 4067 PWs) bands (ev): -8.2301 -8.2301 -8.2063 -8.2063 -8.1994 -8.1994 -8.1912 -8.1912 -7.4079 -7.4079 -7.3863 -7.3863 -7.3690 -7.3690 -7.3269 -7.3269 -7.3252 -7.3252 -7.2887 -7.2887 -6.3120 -6.3120 -6.1812 -6.1812 0.1179 0.1179 1.9702 1.9702 3.2717 3.2717 3.7196 3.7196 4.1272 4.1272 4.5281 4.5281 5.2628 5.2628 6.0815 6.0815 7.9838 7.9838 8.4454 8.4454 9.2779 9.2779 9.9037 9.9037 k =-0.3604 0.5551-0.0000 ( 4075 PWs) bands (ev): -8.2299 -8.2299 -8.2063 -8.2063 -8.1995 -8.1995 -8.1912 -8.1912 -7.4070 -7.4070 -7.3865 -7.3865 -7.3691 -7.3691 -7.3269 -7.3269 -7.3253 -7.3253 -7.2886 -7.2886 -6.2982 -6.2982 -6.1841 -6.1841 0.0823 0.0823 1.9220 1.9220 3.2827 3.2827 3.7361 3.7361 4.1502 4.1502 4.5441 4.5441 5.2590 5.2590 6.1328 6.1328 8.0078 8.0078 8.3936 8.3936 9.1648 9.1648 9.8171 9.8171 k =-0.3531 0.5742-0.0000 ( 4071 PWs) bands (ev): -8.2296 -8.2296 -8.2062 -8.2062 -8.1995 -8.1995 -8.1912 -8.1912 -7.4061 -7.4061 -7.3866 -7.3866 -7.3692 -7.3692 -7.3269 -7.3269 -7.3252 -7.3252 -7.2885 -7.2885 -6.2839 -6.2839 -6.1875 -6.1875 0.0491 0.0491 1.8748 1.8748 3.2895 3.2895 3.7541 3.7541 4.1714 4.1714 4.5613 4.5613 5.2582 5.2582 6.1824 6.1824 8.0242 8.0242 8.3553 8.3553 9.0565 9.0565 9.7286 9.7286 k =-0.3458 0.5933-0.0000 ( 4073 PWs) bands (ev): -8.2294 -8.2294 -8.2061 -8.2061 -8.1996 -8.1996 -8.1912 -8.1912 -7.4053 -7.4053 -7.3869 -7.3869 -7.3692 -7.3692 -7.3271 -7.3271 -7.3250 -7.3250 -7.2885 -7.2885 -6.2694 -6.2694 -6.1915 -6.1915 0.0185 0.0185 1.8288 1.8288 3.2917 3.2917 3.7736 3.7736 4.1903 4.1903 4.5796 4.5796 5.2610 5.2610 6.2298 6.2298 8.0276 8.0276 8.3355 8.3355 8.9537 8.9537 9.6390 9.6390 k =-0.3384 0.6124-0.0000 ( 4069 PWs) bands (ev): -8.2292 -8.2292 -8.2061 -8.2061 -8.1996 -8.1996 -8.1912 -8.1912 -7.4045 -7.4045 -7.3871 -7.3871 -7.3691 -7.3691 -7.3274 -7.3274 -7.3247 -7.3247 -7.2884 -7.2884 -6.2546 -6.2546 -6.1960 -6.1960 -0.0092 -0.0092 1.7843 1.7843 3.2889 3.2889 3.7944 3.7944 4.2066 4.2066 4.5990 4.5990 5.2679 5.2679 6.2744 6.2744 8.0159 8.0159 8.3357 8.3357 8.8575 8.8575 9.5496 9.5496 k =-0.3311 0.6315-0.0000 ( 4057 PWs) bands (ev): -8.2290 -8.2290 -8.2060 -8.2060 -8.1997 -8.1997 -8.1913 -8.1913 -7.4038 -7.4038 -7.3874 -7.3874 -7.3690 -7.3690 -7.3276 -7.3276 -7.3244 -7.3244 -7.2883 -7.2883 -6.2397 -6.2397 -6.2009 -6.2009 -0.0338 -0.0338 1.7416 1.7416 3.2810 3.2810 3.8165 3.8165 4.2199 4.2199 4.6192 4.6192 5.2794 5.2794 6.3156 6.3156 7.9927 7.9927 8.3514 8.3514 8.7695 8.7695 9.4616 9.4616 k =-0.3237 0.6506-0.0000 ( 4061 PWs) bands (ev): -8.2287 -8.2287 -8.2060 -8.2060 -8.1997 -8.1997 -8.1914 -8.1914 -7.4031 -7.4031 -7.3877 -7.3877 -7.3688 -7.3688 -7.3279 -7.3279 -7.3241 -7.3241 -7.2883 -7.2883 -6.2255 -6.2255 -6.2057 -6.2057 -0.0551 -0.0551 1.7010 1.7010 3.2681 3.2681 3.8395 3.8395 4.2299 4.2299 4.6403 4.6403 5.2956 5.2956 6.3524 6.3524 7.9639 7.9639 8.3741 8.3741 8.6915 8.6915 9.3770 9.3770 k =-0.3164 0.6697-0.0000 ( 4061 PWs) bands (ev): -8.2285 -8.2285 -8.2059 -8.2059 -8.1997 -8.1997 -8.1915 -8.1915 -7.4025 -7.4025 -7.3880 -7.3880 -7.3686 -7.3686 -7.3282 -7.3282 -7.3238 -7.3238 -7.2883 -7.2883 -6.2185 -6.2185 -6.2038 -6.2038 -0.0729 -0.0729 1.6626 1.6626 3.2504 3.2504 3.8632 3.8632 4.2365 4.2365 4.6620 4.6620 5.3167 5.3167 6.3842 6.3842 7.9343 7.9343 8.3950 8.3950 8.6267 8.6267 9.2983 9.2983 k =-0.3090 0.6888-0.0000 ( 4065 PWs) bands (ev): -8.2283 -8.2283 -8.2059 -8.2059 -8.1998 -8.1998 -8.1916 -8.1916 -7.4020 -7.4020 -7.3884 -7.3884 -7.3684 -7.3684 -7.3284 -7.3284 -7.3235 -7.3235 -7.2882 -7.2882 -6.2236 -6.2236 -6.1906 -6.1906 -0.0870 -0.0870 1.6268 1.6268 3.2280 3.2280 3.8872 3.8872 4.2396 4.2396 4.6842 4.6842 5.3425 5.3425 6.4101 6.4101 7.9070 7.9070 8.4040 8.4040 8.5800 8.5800 9.2295 9.2295 k =-0.3017 0.7079-0.0000 ( 4073 PWs) bands (ev): -8.2281 -8.2281 -8.2058 -8.2058 -8.1998 -8.1998 -8.1918 -8.1918 -7.4016 -7.4016 -7.3887 -7.3887 -7.3681 -7.3681 -7.3287 -7.3287 -7.3232 -7.3232 -7.2882 -7.2882 -6.2312 -6.2312 -6.1754 -6.1754 -0.0974 -0.0974 1.5936 1.5936 3.2012 3.2012 3.9111 3.9111 4.2394 4.2394 4.7067 4.7067 5.3729 5.3729 6.4291 6.4291 7.8837 7.8837 8.3944 8.3944 8.5525 8.5525 9.1757 9.1757 k =-0.2943 0.7270-0.0000 ( 4065 PWs) bands (ev): -8.2279 -8.2279 -8.2058 -8.2058 -8.1998 -8.1998 -8.1920 -8.1920 -7.4012 -7.4012 -7.3890 -7.3890 -7.3677 -7.3677 -7.3290 -7.3290 -7.3228 -7.3228 -7.2882 -7.2882 -6.2399 -6.2399 -6.1599 -6.1599 -0.1038 -0.1038 1.5632 1.5632 3.1706 3.1706 3.9346 3.9346 4.2359 4.2359 4.7292 4.7292 5.4075 5.4075 6.4404 6.4404 7.8654 7.8654 8.3719 8.3719 8.5329 8.5329 9.1428 9.1428 k =-0.2870 0.7460-0.0000 ( 4065 PWs) bands (ev): -8.2277 -8.2277 -8.2058 -8.2058 -8.1998 -8.1998 -8.1922 -8.1922 -7.4010 -7.4010 -7.3893 -7.3893 -7.3674 -7.3674 -7.3293 -7.3293 -7.3225 -7.3225 -7.2882 -7.2882 -6.2495 -6.2495 -6.1443 -6.1443 -0.1063 -0.1063 1.5358 1.5358 3.1364 3.1364 3.9572 3.9572 4.2296 4.2296 4.7516 4.7516 5.4458 5.4458 6.4436 6.4436 7.8529 7.8529 8.3468 8.3468 8.5073 8.5073 9.1350 9.1350 k =-0.2870 0.7460-0.0000 ( 4065 PWs) bands (ev): -8.2277 -8.2277 -8.2058 -8.2058 -8.1998 -8.1998 -8.1922 -8.1922 -7.4010 -7.4010 -7.3893 -7.3893 -7.3674 -7.3674 -7.3293 -7.3293 -7.3225 -7.3225 -7.2882 -7.2882 -6.2495 -6.2495 -6.1443 -6.1443 -0.1063 -0.1063 1.5358 1.5358 3.1364 3.1364 3.9572 3.9572 4.2296 4.2296 4.7516 4.7516 5.4458 5.4458 6.4436 6.4436 7.8529 7.8529 8.3468 8.3468 8.5073 8.5073 9.1350 9.1350 k =-0.2870 0.7460 0.0210 ( 4071 PWs) bands (ev): -8.2277 -8.2277 -8.2059 -8.2059 -8.1999 -8.1999 -8.1922 -8.1922 -7.4010 -7.4010 -7.3895 -7.3895 -7.3673 -7.3673 -7.3296 -7.3296 -7.3223 -7.3223 -7.2883 -7.2883 -6.2490 -6.2490 -6.1439 -6.1439 -0.1048 -0.1048 1.5366 1.5366 3.1348 3.1348 3.9529 3.9529 4.2275 4.2275 4.7480 4.7480 5.4484 5.4484 6.4257 6.4257 7.8718 7.8718 8.3498 8.3498 8.5047 8.5047 9.1398 9.1398 k =-0.2870 0.7460 0.0420 ( 4069 PWs) bands (ev): -8.2276 -8.2276 -8.2060 -8.2060 -8.2000 -8.2000 -8.1921 -8.1921 -7.4011 -7.4011 -7.3901 -7.3901 -7.3669 -7.3669 -7.3303 -7.3303 -7.3218 -7.3218 -7.2885 -7.2885 -6.2473 -6.2473 -6.1427 -6.1427 -0.1004 -0.1004 1.5390 1.5390 3.1299 3.1299 3.9405 3.9405 4.2212 4.2212 4.7373 4.7373 5.4558 5.4558 6.3753 6.3753 7.9249 7.9249 8.3558 8.3558 8.5008 8.5008 9.1541 9.1541 k =-0.2870 0.7460 0.0630 ( 4069 PWs) bands (ev): -8.2276 -8.2276 -8.2063 -8.2063 -8.2003 -8.2003 -8.1920 -8.1920 -7.4013 -7.4013 -7.3910 -7.3910 -7.3663 -7.3663 -7.3313 -7.3313 -7.3212 -7.3212 -7.2889 -7.2889 -6.2445 -6.2445 -6.1406 -6.1406 -0.0930 -0.0930 1.5430 1.5430 3.1216 3.1216 3.9203 3.9203 4.2109 4.2109 4.7202 4.7202 5.4668 5.4668 6.2998 6.2998 8.0024 8.0024 8.3564 8.3564 8.5082 8.5082 9.1777 9.1777 k =-0.2870 0.7460 0.0840 ( 4073 PWs) bands (ev): -8.2276 -8.2276 -8.2066 -8.2066 -8.2006 -8.2006 -8.1918 -8.1918 -7.4015 -7.4015 -7.3922 -7.3922 -7.3655 -7.3655 -7.3325 -7.3325 -7.3204 -7.3204 -7.2894 -7.2894 -6.2407 -6.2407 -6.1378 -6.1378 -0.0826 -0.0826 1.5485 1.5485 3.1098 3.1098 3.8931 3.8931 4.1969 4.1969 4.6973 4.6973 5.4795 5.4795 6.2079 6.2079 8.0879 8.0879 8.3506 8.3506 8.5382 8.5382 9.2103 9.2103 k =-0.2870 0.7460 0.1050 ( 4069 PWs) bands (ev): -8.2275 -8.2275 -8.2070 -8.2070 -8.2010 -8.2010 -8.1916 -8.1916 -7.4018 -7.4018 -7.3936 -7.3936 -7.3647 -7.3647 -7.3339 -7.3339 -7.3197 -7.3197 -7.2901 -7.2901 -6.2358 -6.2358 -6.1341 -6.1341 -0.0693 -0.0693 1.5555 1.5555 3.0943 3.0943 3.8599 3.8599 4.1800 4.1800 4.6689 4.6689 5.4912 5.4912 6.1076 6.1076 8.1463 8.1463 8.3694 8.3694 8.5902 8.5902 9.2515 9.2515 k =-0.2870 0.7460 0.1260 ( 4061 PWs) bands (ev): -8.2275 -8.2275 -8.2075 -8.2075 -8.2015 -8.2015 -8.1914 -8.1914 -7.4023 -7.4023 -7.3950 -7.3950 -7.3639 -7.3639 -7.3353 -7.3353 -7.3189 -7.3189 -7.2909 -7.2909 -6.2299 -6.2299 -6.1298 -6.1298 -0.0530 -0.0530 1.5638 1.5638 3.0747 3.0747 3.8216 3.8216 4.1606 4.1606 4.6354 4.6354 5.4989 5.4989 6.0057 6.0057 8.1431 8.1431 8.4487 8.4487 8.6593 8.6593 9.3009 9.3009 k =-0.2870 0.7460 0.1470 ( 4068 PWs) bands (ev): -8.2274 -8.2274 -8.2080 -8.2080 -8.2021 -8.2021 -8.1912 -8.1912 -7.4029 -7.4029 -7.3964 -7.3964 -7.3631 -7.3631 -7.3367 -7.3367 -7.3182 -7.3182 -7.2917 -7.2917 -6.2231 -6.2231 -6.1247 -6.1247 -0.0338 -0.0338 1.5735 1.5735 3.0509 3.0509 3.7793 3.7793 4.1398 4.1398 4.5965 4.5965 5.4984 5.4984 5.9091 5.9091 8.1033 8.1033 8.5641 8.5641 8.7428 8.7428 9.3581 9.3581 k =-0.2870 0.7460 0.1680 ( 4063 PWs) bands (ev): -8.2274 -8.2274 -8.2085 -8.2085 -8.2028 -8.2028 -8.1910 -8.1910 -7.4038 -7.4038 -7.3977 -7.3977 -7.3625 -7.3625 -7.3381 -7.3381 -7.3176 -7.3176 -7.2927 -7.2927 -6.2154 -6.2154 -6.1190 -6.1190 -0.0116 -0.0116 1.5844 1.5844 3.0227 3.0227 3.7338 3.7338 4.1183 4.1183 4.5520 4.5520 5.4840 5.4840 5.8251 5.8251 8.0519 8.0519 8.6898 8.6898 8.8394 8.8394 9.4225 9.4225 k =-0.2870 0.7460 0.1891 ( 4057 PWs) bands (ev): -8.2274 -8.2274 -8.2090 -8.2090 -8.2035 -8.2035 -8.1907 -8.1907 -7.4049 -7.4049 -7.3988 -7.3988 -7.3621 -7.3621 -7.3394 -7.3394 -7.3170 -7.3170 -7.2937 -7.2937 -6.2069 -6.2069 -6.1127 -6.1127 0.0135 0.0135 1.5963 1.5963 2.9902 2.9902 3.6861 3.6861 4.0967 4.0967 4.5014 4.5014 5.4506 5.4506 5.7602 5.7602 7.9986 7.9986 8.8149 8.8149 8.9491 8.9491 9.4936 9.4936 k =-0.2870 0.7460 0.2101 ( 4051 PWs) bands (ev): -8.2273 -8.2273 -8.2095 -8.2095 -8.2043 -8.2043 -8.1905 -8.1905 -7.4064 -7.4064 -7.3995 -7.3995 -7.3619 -7.3619 -7.3405 -7.3405 -7.3166 -7.3166 -7.2948 -7.2948 -6.1976 -6.1976 -6.1058 -6.1058 0.0415 0.0415 1.6091 1.6091 2.9534 2.9534 3.6370 3.6370 4.0755 4.0755 4.4443 4.4443 5.3986 5.3986 5.7149 5.7149 7.9475 7.9475 8.9342 8.9342 9.0712 9.0712 9.5706 9.5706 k =-0.2870 0.7460 0.2311 ( 4049 PWs) bands (ev): -8.2274 -8.2274 -8.2100 -8.2100 -8.2051 -8.2051 -8.1904 -8.1904 -7.4082 -7.4082 -7.4001 -7.4001 -7.3620 -7.3620 -7.3413 -7.3413 -7.3162 -7.3162 -7.2958 -7.2958 -6.1877 -6.1877 -6.0985 -6.0985 0.0725 0.0725 1.6227 1.6227 2.9126 2.9126 3.5871 3.5871 4.0545 4.0545 4.3810 4.3810 5.3354 5.3354 5.6825 5.6825 7.9013 7.9013 9.0463 9.0463 9.2028 9.2028 9.6526 9.6526 k =-0.2870 0.7460 0.2521 ( 4053 PWs) bands (ev): -8.2274 -8.2274 -8.2105 -8.2105 -8.2060 -8.2060 -8.1902 -8.1902 -7.4101 -7.4101 -7.4006 -7.4006 -7.3624 -7.3624 -7.3419 -7.3419 -7.3161 -7.3161 -7.2968 -7.2968 -6.1771 -6.1771 -6.0907 -6.0907 0.1064 0.1064 1.6367 1.6367 2.8682 2.8682 3.5370 3.5370 4.0325 4.0325 4.3131 4.3131 5.2694 5.2694 5.6546 5.6546 7.8618 7.8618 9.1512 9.1512 9.3400 9.3400 9.7386 9.7386 k =-0.2870 0.7460 0.2731 ( 4053 PWs) bands (ev): -8.2275 -8.2275 -8.2109 -8.2109 -8.2070 -8.2070 -8.1901 -8.1901 -7.4120 -7.4120 -7.4009 -7.4009 -7.3632 -7.3632 -7.3422 -7.3422 -7.3161 -7.3161 -7.2976 -7.2976 -6.1661 -6.1661 -6.0827 -6.0827 0.1433 0.1433 1.6510 1.6510 2.8207 2.8207 3.4872 3.4872 4.0063 4.0063 4.2447 4.2447 5.2057 5.2057 5.6259 5.6259 7.8301 7.8301 9.2482 9.2482 9.4802 9.4802 9.8277 9.8277 k =-0.2870 0.7460 0.2941 ( 4056 PWs) bands (ev): -8.2277 -8.2277 -8.2113 -8.2113 -8.2079 -8.2079 -8.1900 -8.1900 -7.4140 -7.4140 -7.4012 -7.4012 -7.3643 -7.3643 -7.3423 -7.3423 -7.3162 -7.3162 -7.2984 -7.2984 -6.1547 -6.1547 -6.0743 -6.0743 0.1830 0.1830 1.6654 1.6654 2.7706 2.7706 3.4381 3.4381 3.9692 3.9692 4.1835 4.1835 5.1464 5.1464 5.5937 5.5937 7.8069 7.8069 9.3354 9.3354 9.6216 9.6216 9.9186 9.9186 k =-0.2870 0.7460 0.3151 ( 4065 PWs) bands (ev): -8.2279 -8.2279 -8.2116 -8.2116 -8.2089 -8.2089 -8.1899 -8.1899 -7.4159 -7.4159 -7.4014 -7.4014 -7.3655 -7.3655 -7.3423 -7.3423 -7.3166 -7.3166 -7.2990 -7.2990 -6.1429 -6.1429 -6.0658 -6.0658 0.2256 0.2256 1.6795 1.6795 2.7187 2.7187 3.3897 3.3897 3.9138 3.9138 4.1387 4.1387 5.0922 5.0922 5.5568 5.5568 7.7927 7.7927 9.4105 9.4105 9.7631 9.7631 10.0106 10.0106 k =-0.2870 0.7460 0.3361 ( 4067 PWs) bands (ev): -8.2282 -8.2282 -8.2119 -8.2119 -8.2098 -8.2098 -8.1899 -8.1899 -7.4179 -7.4179 -7.4017 -7.4017 -7.3669 -7.3669 -7.3422 -7.3422 -7.3170 -7.3170 -7.2995 -7.2995 -6.1309 -6.1309 -6.0572 -6.0572 0.2711 0.2711 1.6930 1.6930 2.6656 2.6656 3.3419 3.3419 3.8400 3.8400 4.1123 4.1123 5.0425 5.0425 5.5150 5.5150 7.7875 7.7875 9.4714 9.4714 9.9035 9.9035 10.1028 10.1028 k =-0.2870 0.7460 0.3571 ( 4071 PWs) bands (ev): -8.2285 -8.2285 -8.2123 -8.2123 -8.2105 -8.2105 -8.1899 -8.1899 -7.4197 -7.4197 -7.4019 -7.4019 -7.3684 -7.3684 -7.3421 -7.3421 -7.3176 -7.3176 -7.2999 -7.2999 -6.1188 -6.1188 -6.0485 -6.0485 0.3195 0.3195 1.7058 1.7058 2.6118 2.6118 3.2938 3.2938 3.7555 3.7555 4.0992 4.0992 4.9963 4.9963 5.4689 5.4689 7.7910 7.7910 9.5163 9.5163 10.0410 10.0410 10.1948 10.1948 k =-0.2870 0.7460 0.3781 ( 4063 PWs) bands (ev): -8.2289 -8.2289 -8.2129 -8.2129 -8.2110 -8.2110 -8.1900 -8.1900 -7.4215 -7.4215 -7.4021 -7.4021 -7.3698 -7.3698 -7.3422 -7.3422 -7.3181 -7.3181 -7.3001 -7.3001 -6.1065 -6.1065 -6.0400 -6.0400 0.3706 0.3706 1.7174 1.7174 2.5581 2.5581 3.2438 3.2438 3.6690 3.6690 4.0938 4.0938 4.9529 4.9529 5.4193 5.4193 7.8027 7.8027 9.5444 9.5444 10.1731 10.1731 10.2864 10.2864 k =-0.2870 0.7460 0.3991 ( 4065 PWs) bands (ev): -8.2293 -8.2293 -8.2138 -8.2138 -8.2111 -8.2111 -8.1901 -8.1901 -7.4232 -7.4232 -7.4023 -7.4023 -7.3711 -7.3711 -7.3425 -7.3425 -7.3185 -7.3185 -7.3003 -7.3003 -6.0944 -6.0944 -6.0315 -6.0315 0.4246 0.4246 1.7277 1.7277 2.5049 2.5049 3.1891 3.1891 3.5875 3.5875 4.0927 4.0927 4.9112 4.9112 5.3673 5.3673 7.8221 7.8221 9.5559 9.5559 10.2954 10.2954 10.3786 10.3786 k =-0.2870 0.7460 0.4201 ( 4057 PWs) bands (ev): -8.2298 -8.2298 -8.2147 -8.2147 -8.2111 -8.2111 -8.1902 -8.1902 -7.4248 -7.4248 -7.4025 -7.4025 -7.3724 -7.3724 -7.3430 -7.3430 -7.3188 -7.3188 -7.3004 -7.3004 -6.0824 -6.0824 -6.0233 -6.0233 0.4813 0.4813 1.7363 1.7363 2.4526 2.4526 3.1263 3.1263 3.5174 3.5174 4.0941 4.0941 4.8706 4.8706 5.3142 5.3142 7.8486 7.8486 9.5515 9.5515 10.4022 10.4022 10.4733 10.4733 k =-0.2870 0.7460 0.4411 ( 4063 PWs) bands (ev): -8.2302 -8.2302 -8.2157 -8.2157 -8.2109 -8.2109 -8.1903 -8.1903 -7.4264 -7.4264 -7.4028 -7.4028 -7.3734 -7.3734 -7.3437 -7.3437 -7.3189 -7.3189 -7.3005 -7.3005 -6.0706 -6.0706 -6.0154 -6.0154 0.5407 0.5407 1.7432 1.7432 2.4018 2.4018 3.0528 3.0528 3.4631 3.4631 4.0963 4.0963 4.8307 4.8307 5.2610 5.2610 7.8815 7.8815 9.5328 9.5328 10.4909 10.4909 10.5682 10.5682 k =-0.2870 0.7460 0.4621 ( 4069 PWs) bands (ev): -8.2307 -8.2307 -8.2167 -8.2167 -8.2107 -8.2107 -8.1905 -8.1905 -7.4278 -7.4278 -7.4031 -7.4031 -7.3743 -7.3743 -7.3448 -7.3448 -7.3189 -7.3189 -7.3006 -7.3006 -6.0591 -6.0591 -6.0079 -6.0079 0.6028 0.6028 1.7481 1.7481 2.3529 2.3529 2.9688 2.9688 3.4259 3.4259 4.0982 4.0982 4.7914 4.7914 5.2091 5.2091 7.9202 7.9202 9.5017 9.5017 10.5653 10.5653 10.6549 10.6549 k =-0.2870 0.7460 0.4831 ( 4071 PWs) bands (ev): -8.2312 -8.2312 -8.2177 -8.2177 -8.2104 -8.2104 -8.1906 -8.1906 -7.4290 -7.4290 -7.4035 -7.4035 -7.3749 -7.3749 -7.3460 -7.3460 -7.3186 -7.3186 -7.3006 -7.3006 -6.0480 -6.0480 -6.0008 -6.0008 0.6675 0.6675 1.7510 1.7510 2.3060 2.3060 2.8766 2.8766 3.4045 3.4045 4.0983 4.0983 4.7530 4.7530 5.1593 5.1593 7.9641 7.9641 9.4600 9.4600 10.6284 10.6284 10.7271 10.7271 k =-0.2870 0.7460 0.5041 ( 4065 PWs) bands (ev): -8.2316 -8.2316 -8.2186 -8.2186 -8.2100 -8.2100 -8.1909 -8.1909 -7.4302 -7.4302 -7.4040 -7.4040 -7.3753 -7.3753 -7.3475 -7.3475 -7.3182 -7.3182 -7.3007 -7.3007 -6.0374 -6.0374 -5.9942 -5.9942 0.7346 0.7346 1.7517 1.7517 2.2615 2.2615 2.7797 2.7797 3.3964 3.3964 4.0953 4.0953 4.7163 4.7163 5.1124 5.1124 8.0126 8.0126 9.4096 9.4096 10.6807 10.6807 10.7828 10.7828 k =-0.2870 0.7460 0.5251 ( 4065 PWs) bands (ev): -8.2321 -8.2321 -8.2194 -8.2194 -8.2097 -8.2097 -8.1911 -8.1911 -7.4312 -7.4312 -7.4044 -7.4044 -7.3755 -7.3755 -7.3491 -7.3491 -7.3177 -7.3177 -7.3009 -7.3009 -6.0273 -6.0273 -5.9883 -5.9883 0.8040 0.8040 1.7503 1.7503 2.2195 2.2195 2.6811 2.6811 3.3992 3.3992 4.0876 4.0876 4.6825 4.6825 5.0688 5.0688 8.0653 8.0653 9.3523 9.3523 10.7226 10.7226 10.8236 10.8236 k =-0.2870 0.7460 0.5461 ( 4069 PWs) bands (ev): -8.2325 -8.2325 -8.2202 -8.2202 -8.2093 -8.2093 -8.1913 -8.1913 -7.4321 -7.4321 -7.4050 -7.4050 -7.3754 -7.3754 -7.3508 -7.3508 -7.3171 -7.3171 -7.3010 -7.3010 -6.0178 -6.0178 -5.9830 -5.9830 0.8757 0.8757 1.7465 1.7465 2.1800 2.1800 2.5834 2.5834 3.4111 3.4111 4.0740 4.0740 4.6532 4.6532 5.0287 5.0287 8.1217 8.1217 9.2895 9.2895 10.7542 10.7542 10.8528 10.8528 k =-0.2870 0.7460 0.5672 ( 4063 PWs) bands (ev): -8.2328 -8.2328 -8.2210 -8.2210 -8.2090 -8.2090 -8.1915 -8.1915 -7.4329 -7.4329 -7.4055 -7.4055 -7.3752 -7.3752 -7.3526 -7.3526 -7.3165 -7.3165 -7.3012 -7.3012 -6.0091 -6.0091 -5.9785 -5.9785 0.9492 0.9492 1.7399 1.7399 2.1431 2.1431 2.4889 2.4889 3.4309 3.4309 4.0533 4.0533 4.6295 4.6295 4.9923 4.9923 8.1812 8.1812 9.2226 9.2226 10.7769 10.7769 10.8734 10.8734 k =-0.2870 0.7460 0.5882 ( 4067 PWs) bands (ev): -8.2331 -8.2331 -8.2216 -8.2216 -8.2086 -8.2086 -8.1918 -8.1918 -7.4336 -7.4336 -7.4060 -7.4060 -7.3747 -7.3747 -7.3544 -7.3544 -7.3159 -7.3159 -7.3013 -7.3013 -6.0011 -6.0011 -5.9747 -5.9747 1.0244 1.0244 1.7300 1.7300 2.1084 2.1084 2.4003 2.4003 3.4572 3.4572 4.0254 4.0254 4.6122 4.6122 4.9595 4.9595 8.2434 8.2434 9.1527 9.1527 10.7923 10.7923 10.8878 10.8878 k =-0.2870 0.7460 0.6092 ( 4079 PWs) bands (ev): -8.2334 -8.2334 -8.2222 -8.2222 -8.2083 -8.2083 -8.1920 -8.1920 -7.4342 -7.4342 -7.4065 -7.4065 -7.3740 -7.3740 -7.3561 -7.3561 -7.3153 -7.3153 -7.3015 -7.3015 -5.9939 -5.9939 -5.9718 -5.9718 1.1008 1.1008 1.7156 1.7156 2.0754 2.0754 2.3205 2.3205 3.4890 3.4890 3.9907 3.9907 4.6011 4.6011 4.9306 4.9306 8.3078 8.3078 9.0811 9.0811 10.8025 10.8025 10.8975 10.8975 k =-0.2870 0.7460 0.6302 ( 4078 PWs) bands (ev): -8.2337 -8.2337 -8.2227 -8.2227 -8.2080 -8.2080 -8.1922 -8.1922 -7.4346 -7.4346 -7.4069 -7.4069 -7.3733 -7.3733 -7.3578 -7.3578 -7.3148 -7.3148 -7.3017 -7.3017 -5.9875 -5.9875 -5.9698 -5.9698 1.1775 1.1775 1.6951 1.6951 2.0441 2.0441 2.2532 2.2532 3.5250 3.5250 3.9509 3.9509 4.5952 4.5952 4.9056 4.9056 8.3736 8.3736 9.0087 9.0087 10.8090 10.8090 10.9035 10.9035 k =-0.2870 0.7460 0.6512 ( 4076 PWs) bands (ev): -8.2338 -8.2338 -8.2231 -8.2231 -8.2078 -8.2078 -8.1923 -8.1923 -7.4350 -7.4350 -7.4073 -7.4073 -7.3725 -7.3725 -7.3594 -7.3594 -7.3143 -7.3143 -7.3019 -7.3019 -5.9821 -5.9821 -5.9686 -5.9686 1.2535 1.2535 1.6665 1.6665 2.0150 2.0150 2.2012 2.2012 3.5638 3.5638 3.9080 3.9080 4.5932 4.5932 4.8851 4.8851 8.4396 8.4396 8.9374 8.9374 10.8132 10.8132 10.9068 10.9068 k =-0.2870 0.7460 0.6722 ( 4070 PWs) bands (ev): -8.2340 -8.2340 -8.2233 -8.2233 -8.2076 -8.2076 -8.1924 -8.1924 -7.4352 -7.4352 -7.4075 -7.4075 -7.3717 -7.3717 -7.3607 -7.3607 -7.3140 -7.3140 -7.3020 -7.3020 -5.9776 -5.9776 -5.9683 -5.9683 1.3260 1.3260 1.6293 1.6293 1.9907 1.9907 2.1658 2.1658 3.6026 3.6026 3.8657 3.8657 4.5933 4.5933 4.8697 4.8697 8.5032 8.5032 8.8697 8.8697 10.8159 10.8159 10.9084 10.9084 k =-0.2870 0.7460 0.6932 ( 4080 PWs) bands (ev): -8.2341 -8.2341 -8.2235 -8.2235 -8.2075 -8.2075 -8.1925 -8.1925 -7.4353 -7.4353 -7.4077 -7.4077 -7.3711 -7.3711 -7.3616 -7.3616 -7.3138 -7.3138 -7.3021 -7.3021 -5.9742 -5.9742 -5.9689 -5.9689 1.3887 1.3887 1.5880 1.5880 1.9745 1.9745 2.1457 2.1457 3.6356 3.6356 3.8302 3.8302 4.5942 4.5942 4.8600 4.8600 8.5573 8.5573 8.8131 8.8131 10.8174 10.8174 10.9090 10.9090 k =-0.2870 0.7460 0.7142 ( 4080 PWs) bands (ev): -8.2341 -8.2341 -8.2236 -8.2236 -8.2075 -8.2075 -8.1925 -8.1925 -7.4354 -7.4354 -7.4077 -7.4077 -7.3709 -7.3709 -7.3619 -7.3619 -7.3137 -7.3137 -7.3021 -7.3021 -5.9725 -5.9725 -5.9695 -5.9695 1.4188 1.4188 1.5650 1.5650 1.9689 1.9689 2.1393 2.1393 3.6502 3.6502 3.8148 3.8148 4.5946 4.5946 4.8567 4.8567 8.5820 8.5820 8.7876 8.7876 10.8178 10.8178 10.9091 10.9091 k =-0.2870 0.7460 0.7142 ( 4080 PWs) bands (ev): -8.2341 -8.2341 -8.2236 -8.2236 -8.2075 -8.2075 -8.1925 -8.1925 -7.4354 -7.4354 -7.4077 -7.4077 -7.3709 -7.3709 -7.3619 -7.3619 -7.3137 -7.3137 -7.3021 -7.3021 -5.9725 -5.9725 -5.9695 -5.9695 1.4188 1.4188 1.5650 1.5650 1.9689 1.9689 2.1393 2.1393 3.6502 3.6502 3.8148 3.8148 4.5946 4.5946 4.8567 4.8567 8.5820 8.5820 8.7876 8.7876 10.8178 10.8178 10.9091 10.9091 k =-0.2943 0.7270 0.7142 ( 4084 PWs) bands (ev): -8.2338 -8.2338 -8.2229 -8.2229 -8.2073 -8.2073 -8.1925 -8.1925 -7.4338 -7.4338 -7.4072 -7.4072 -7.3708 -7.3708 -7.3618 -7.3618 -7.3136 -7.3136 -7.3022 -7.3022 -5.9774 -5.9774 -5.9749 -5.9749 1.3750 1.3750 1.5014 1.5014 2.0068 2.0068 2.1548 2.1548 3.7136 3.7136 3.8842 3.8842 4.6367 4.6367 4.9010 4.9010 8.5230 8.5230 8.7234 8.7234 10.8020 10.8020 10.8933 10.8933 k =-0.3017 0.7079 0.7142 ( 4084 PWs) bands (ev): -8.2335 -8.2335 -8.2222 -8.2222 -8.2072 -8.2072 -8.1924 -8.1924 -7.4320 -7.4320 -7.4064 -7.4064 -7.3708 -7.3708 -7.3616 -7.3616 -7.3135 -7.3135 -7.3024 -7.3024 -5.9831 -5.9831 -5.9810 -5.9810 1.3275 1.3275 1.4370 1.4370 2.0507 2.0507 2.1792 2.1792 3.7777 3.7777 3.9544 3.9544 4.6805 4.6805 4.9471 4.9471 8.4626 8.4626 8.6578 8.6578 10.7874 10.7874 10.8797 10.8797 k =-0.3090 0.6888 0.7142 ( 4084 PWs) bands (ev): -8.2331 -8.2331 -8.2214 -8.2214 -8.2069 -8.2069 -8.1924 -8.1924 -7.4301 -7.4301 -7.4055 -7.4055 -7.3708 -7.3708 -7.3614 -7.3614 -7.3134 -7.3134 -7.3025 -7.3025 -5.9895 -5.9895 -5.9879 -5.9879 1.2776 1.2776 1.3730 1.3730 2.0993 2.0993 2.2111 2.2111 3.8419 3.8419 4.0244 4.0244 4.7264 4.7264 4.9952 4.9952 8.4006 8.4006 8.5909 8.5909 10.7741 10.7741 10.8683 10.8683 k =-0.3164 0.6697 0.7142 ( 4092 PWs) bands (ev): -8.2326 -8.2326 -8.2206 -8.2206 -8.2067 -8.2067 -8.1923 -8.1923 -7.4281 -7.4281 -7.4044 -7.4044 -7.3707 -7.3707 -7.3612 -7.3612 -7.3133 -7.3133 -7.3027 -7.3027 -5.9967 -5.9967 -5.9956 -5.9956 1.2266 1.2266 1.3101 1.3101 2.1522 2.1522 2.2497 2.2497 3.9054 3.9054 4.0937 4.0937 4.7745 4.7745 5.0454 5.0454 8.3372 8.3372 8.5227 8.5227 10.7620 10.7620 10.8590 10.8590 k =-0.3237 0.6506 0.7142 ( 4096 PWs) bands (ev): -8.2321 -8.2321 -8.2198 -8.2198 -8.2064 -8.2064 -8.1922 -8.1922 -7.4260 -7.4260 -7.4032 -7.4032 -7.3706 -7.3706 -7.3609 -7.3609 -7.3132 -7.3132 -7.3029 -7.3029 -6.0046 -6.0046 -6.0038 -6.0038 1.1751 1.1751 1.2488 1.2488 2.2089 2.2089 2.2941 2.2941 3.9677 3.9677 4.1612 4.1612 4.8253 4.8253 5.0980 5.0980 8.2725 8.2725 8.4534 8.4534 10.7505 10.7505 10.8515 10.8515 k =-0.3311 0.6315 0.7142 ( 4088 PWs) bands (ev): -8.2315 -8.2315 -8.2191 -8.2191 -8.2060 -8.2060 -8.1921 -8.1921 -7.4238 -7.4238 -7.4019 -7.4019 -7.3705 -7.3705 -7.3605 -7.3605 -7.3131 -7.3131 -7.3031 -7.3031 -6.0130 -6.0130 -6.0127 -6.0127 1.1239 1.1239 1.1893 1.1893 2.2693 2.2693 2.3436 2.3436 4.0282 4.0282 4.2263 4.2263 4.8789 4.8789 5.1529 5.1529 8.2067 8.2067 8.3832 8.3832 10.7388 10.7388 10.8452 10.8452 k =-0.3384 0.6124 0.7142 ( 4084 PWs) bands (ev): -8.2309 -8.2309 -8.2184 -8.2184 -8.2055 -8.2055 -8.1919 -8.1919 -7.4215 -7.4215 -7.4004 -7.4004 -7.3703 -7.3703 -7.3601 -7.3601 -7.3131 -7.3131 -7.3034 -7.3034 -6.0220 -6.0220 -6.0219 -6.0219 1.0735 1.0735 1.1319 1.1319 2.3332 2.3332 2.3978 2.3978 4.0863 4.0863 4.2883 4.2883 4.9357 4.9357 5.2103 5.2103 8.1399 8.1399 8.3124 8.3124 10.7258 10.7258 10.8391 10.8391 k =-0.3458 0.5933 0.7142 ( 4092 PWs) bands (ev): -8.2303 -8.2303 -8.2177 -8.2177 -8.2050 -8.2050 -8.1918 -8.1918 -7.4192 -7.4192 -7.3989 -7.3989 -7.3701 -7.3701 -7.3597 -7.3597 -7.3130 -7.3130 -7.3036 -7.3036 -6.0318 -6.0318 -6.0313 -6.0313 1.0242 1.0242 1.0766 1.0766 2.4004 2.4004 2.4562 2.4562 4.1414 4.1414 4.3464 4.3464 4.9954 4.9954 5.2701 5.2701 8.0725 8.0725 8.2415 8.2415 10.7101 10.7101 10.8319 10.8319 k =-0.3531 0.5742 0.7142 ( 4088 PWs) bands (ev): -8.2296 -8.2296 -8.2172 -8.2172 -8.2044 -8.2044 -8.1916 -8.1916 -7.4168 -7.4168 -7.3973 -7.3973 -7.3698 -7.3698 -7.3592 -7.3592 -7.3130 -7.3130 -7.3039 -7.3039 -6.0419 -6.0419 -6.0411 -6.0411 0.9764 0.9764 1.0235 1.0235 2.4707 2.4707 2.5185 2.5185 4.1932 4.1932 4.4003 4.4003 5.0580 5.0580 5.3320 5.3320 8.0050 8.0050 8.1709 8.1709 10.6899 10.6899 10.8217 10.8217 k =-0.3604 0.5551 0.7142 ( 4076 PWs) bands (ev): -8.2289 -8.2289 -8.2167 -8.2167 -8.2037 -8.2037 -8.1914 -8.1914 -7.4145 -7.4145 -7.3956 -7.3956 -7.3694 -7.3694 -7.3586 -7.3586 -7.3130 -7.3130 -7.3042 -7.3042 -6.0522 -6.0522 -6.0512 -6.0512 0.9303 0.9303 0.9728 0.9728 2.5441 2.5441 2.5843 2.5843 4.2414 4.2414 4.4499 4.4499 5.1227 5.1227 5.3957 5.3957 7.9380 7.9380 8.1014 8.1014 10.6632 10.6632 10.8063 10.8063 k =-0.3678 0.5360 0.7142 ( 4088 PWs) bands (ev): -8.2282 -8.2282 -8.2162 -8.2162 -8.2029 -8.2029 -8.1912 -8.1912 -7.4121 -7.4121 -7.3940 -7.3940 -7.3689 -7.3689 -7.3580 -7.3580 -7.3129 -7.3129 -7.3045 -7.3045 -6.0627 -6.0627 -6.0614 -6.0614 0.8860 0.8860 0.9244 0.9244 2.6203 2.6203 2.6532 2.6532 4.2858 4.2858 4.4951 4.4951 5.1887 5.1887 5.4603 5.4603 7.8722 7.8722 8.0337 8.0337 10.6280 10.6280 10.7830 10.7830 k =-0.3751 0.5169 0.7142 ( 4088 PWs) bands (ev): -8.2275 -8.2275 -8.2159 -8.2159 -8.2020 -8.2020 -8.1910 -8.1910 -7.4098 -7.4098 -7.3924 -7.3924 -7.3683 -7.3683 -7.3573 -7.3573 -7.3129 -7.3129 -7.3048 -7.3048 -6.0734 -6.0734 -6.0718 -6.0718 0.8438 0.8438 0.8785 0.8785 2.6990 2.6990 2.7250 2.7250 4.3263 4.3263 4.5361 4.5361 5.2547 5.2547 5.5249 5.5249 7.8087 7.8087 7.9690 7.9690 10.5831 10.5831 10.7492 10.7492 k =-0.3825 0.4978 0.7142 ( 4084 PWs) bands (ev): -8.2268 -8.2268 -8.2157 -8.2157 -8.2011 -8.2011 -8.1907 -8.1907 -7.4075 -7.4075 -7.3910 -7.3910 -7.3675 -7.3675 -7.3565 -7.3565 -7.3128 -7.3128 -7.3052 -7.3052 -6.0840 -6.0840 -6.0823 -6.0823 0.8036 0.8036 0.8350 0.8350 2.7802 2.7802 2.7994 2.7994 4.3628 4.3628 4.5732 4.5732 5.3193 5.3193 5.5883 5.5883 7.7489 7.7489 7.9085 7.9085 10.5277 10.5277 10.7025 10.7025 k =-0.3898 0.4787 0.7142 ( 4078 PWs) bands (ev): -8.2261 -8.2261 -8.2155 -8.2155 -8.2001 -8.2001 -8.1905 -8.1905 -7.4053 -7.4053 -7.3896 -7.3896 -7.3665 -7.3665 -7.3557 -7.3557 -7.3128 -7.3128 -7.3055 -7.3055 -6.0945 -6.0945 -6.0926 -6.0926 0.7656 0.7656 0.7941 0.7941 2.8633 2.8633 2.8759 2.8759 4.3956 4.3956 4.6067 4.6067 5.3808 5.3808 5.6488 5.6488 7.6942 7.6942 7.8537 7.8537 10.4621 10.4621 10.6417 10.6417 k =-0.3972 0.4596 0.7142 ( 4072 PWs) bands (ev): -8.2254 -8.2254 -8.2154 -8.2154 -8.1991 -8.1991 -8.1903 -8.1903 -7.4032 -7.4032 -7.3884 -7.3884 -7.3654 -7.3654 -7.3548 -7.3548 -7.3128 -7.3128 -7.3058 -7.3058 -6.1048 -6.1048 -6.1028 -6.1028 0.7299 0.7299 0.7556 0.7556 2.9482 2.9482 2.9542 2.9542 4.4248 4.4248 4.6369 4.6369 5.4372 5.4372 5.7045 5.7045 7.6468 7.6468 7.8064 7.8064 10.3869 10.3869 10.5668 10.5668 k =-0.4045 0.4406 0.7142 ( 4082 PWs) bands (ev): -8.2247 -8.2247 -8.2153 -8.2153 -8.1981 -8.1981 -8.1900 -8.1900 -7.4012 -7.4012 -7.3874 -7.3874 -7.3641 -7.3641 -7.3539 -7.3539 -7.3127 -7.3127 -7.3062 -7.3062 -6.1149 -6.1149 -6.1128 -6.1128 0.6965 0.6965 0.7197 0.7197 3.0338 3.0338 3.0344 3.0344 4.4505 4.4505 4.6642 4.6642 5.4868 5.4868 5.7533 5.7533 7.6086 7.6086 7.7682 7.7682 10.3031 10.3031 10.4790 10.4790 k =-0.4119 0.4215 0.7142 ( 4082 PWs) bands (ev): -8.2240 -8.2240 -8.2153 -8.2153 -8.1971 -8.1971 -8.1898 -8.1898 -7.3993 -7.3993 -7.3866 -7.3866 -7.3626 -7.3626 -7.3529 -7.3529 -7.3126 -7.3126 -7.3065 -7.3065 -6.1246 -6.1246 -6.1225 -6.1225 0.6655 0.6655 0.6864 0.6864 3.1142 3.1142 3.1214 3.1214 4.4732 4.4732 4.6887 4.6887 5.5277 5.5277 5.7928 5.7928 7.5821 7.5821 7.7411 7.7411 10.2117 10.2117 10.3802 10.3802 k =-0.4192 0.4024 0.7142 ( 4082 PWs) bands (ev): -8.2233 -8.2233 -8.2154 -8.2154 -8.1962 -8.1962 -8.1896 -8.1896 -7.3975 -7.3975 -7.3859 -7.3859 -7.3609 -7.3609 -7.3519 -7.3519 -7.3125 -7.3125 -7.3069 -7.3069 -6.1339 -6.1339 -6.1318 -6.1318 0.6369 0.6369 0.6556 0.6556 3.1950 3.1950 3.2087 3.2087 4.4932 4.4932 4.7107 4.7107 5.5586 5.5586 5.8210 5.8210 7.5691 7.5691 7.7266 7.7266 10.1135 10.1135 10.2727 10.2727 k =-0.4266 0.3833 0.7142 ( 4086 PWs) bands (ev): -8.2227 -8.2227 -8.2154 -8.2154 -8.1952 -8.1952 -8.1893 -8.1893 -7.3959 -7.3959 -7.3854 -7.3854 -7.3592 -7.3592 -7.3509 -7.3509 -7.3125 -7.3125 -7.3072 -7.3072 -6.1426 -6.1426 -6.1406 -6.1406 0.6107 0.6107 0.6274 0.6274 3.2753 3.2753 3.2955 3.2955 4.5108 4.5108 4.7301 4.7301 5.5786 5.5786 5.8365 5.8365 7.5714 7.5714 7.7257 7.7257 10.0097 10.0097 10.1586 10.1586 k =-0.4339 0.3642 0.7142 ( 4084 PWs) bands (ev): -8.2221 -8.2221 -8.2156 -8.2156 -8.1943 -8.1943 -8.1891 -8.1891 -7.3944 -7.3944 -7.3851 -7.3851 -7.3575 -7.3575 -7.3500 -7.3500 -7.3123 -7.3123 -7.3076 -7.3076 -6.1508 -6.1508 -6.1488 -6.1488 0.5871 0.5871 0.6018 0.6018 3.3546 3.3546 3.3810 3.3810 4.5264 4.5264 4.7468 4.7468 5.5876 5.5876 5.8385 5.8385 7.5896 7.5896 7.7389 7.7389 9.9015 9.9015 10.0400 10.0400 k =-0.4412 0.3451 0.7142 ( 4096 PWs) bands (ev): -8.2215 -8.2215 -8.2157 -8.2157 -8.1935 -8.1935 -8.1890 -8.1890 -7.3931 -7.3931 -7.3849 -7.3849 -7.3557 -7.3557 -7.3490 -7.3490 -7.3122 -7.3122 -7.3079 -7.3079 -6.1583 -6.1583 -6.1565 -6.1565 0.5659 0.5659 0.5788 0.5788 3.4319 3.4319 3.4640 3.4640 4.5407 4.5407 4.7606 4.7606 5.5867 5.5867 5.8277 5.8277 7.6230 7.6230 7.7655 7.7655 9.7906 9.7906 9.9190 9.9190 k =-0.4486 0.3260 0.7142 ( 4092 PWs) bands (ev): -8.2209 -8.2209 -8.2159 -8.2159 -8.1927 -8.1927 -8.1888 -8.1888 -7.3918 -7.3918 -7.3847 -7.3847 -7.3540 -7.3540 -7.3482 -7.3482 -7.3121 -7.3121 -7.3083 -7.3083 -6.1651 -6.1651 -6.1634 -6.1634 0.5473 0.5473 0.5584 0.5584 3.5063 3.5063 3.5431 3.5431 4.5544 4.5544 4.7711 4.7711 5.5778 5.5778 5.8055 5.8055 7.6702 7.6702 7.8041 7.8041 9.6790 9.6790 9.7976 9.7976 k =-0.4559 0.3069 0.7142 ( 4092 PWs) bands (ev): -8.2204 -8.2204 -8.2161 -8.2161 -8.1920 -8.1920 -8.1887 -8.1887 -7.3907 -7.3907 -7.3847 -7.3847 -7.3524 -7.3524 -7.3474 -7.3474 -7.3119 -7.3119 -7.3086 -7.3086 -6.1710 -6.1710 -6.1695 -6.1695 0.5312 0.5312 0.5407 0.5407 3.5766 3.5766 3.6169 3.6169 4.5682 4.5682 4.7774 4.7774 5.5636 5.5636 5.7742 5.7742 7.7286 7.7286 7.8521 7.8521 9.5692 9.5692 9.6778 9.6778 k =-0.4633 0.2878 0.7142 ( 4088 PWs) bands (ev): -8.2199 -8.2199 -8.2163 -8.2163 -8.1913 -8.1913 -8.1886 -8.1886 -7.3898 -7.3898 -7.3848 -7.3848 -7.3510 -7.3510 -7.3468 -7.3468 -7.3117 -7.3117 -7.3090 -7.3090 -6.1762 -6.1762 -6.1748 -6.1748 0.5177 0.5177 0.5255 0.5255 3.6416 3.6416 3.6831 3.6831 4.5831 4.5831 4.7787 4.7787 5.5476 5.5476 5.7366 5.7366 7.7949 7.7949 7.9063 7.9063 9.4640 9.4640 9.5621 9.5621 k =-0.4706 0.2687 0.7142 ( 4088 PWs) bands (ev): -8.2194 -8.2194 -8.2165 -8.2165 -8.1908 -8.1908 -8.1886 -8.1886 -7.3889 -7.3889 -7.3850 -7.3850 -7.3496 -7.3496 -7.3463 -7.3463 -7.3115 -7.3115 -7.3093 -7.3093 -6.1804 -6.1804 -6.1793 -6.1793 0.5068 0.5068 0.5130 0.5130 3.6998 3.6998 3.7398 3.7398 4.6001 4.6001 4.7742 4.7742 5.5336 5.5336 5.6956 5.6956 7.8649 7.8649 7.9620 7.9620 9.3676 9.3676 9.4535 9.4535 k =-0.4780 0.2496 0.7142 ( 4078 PWs) bands (ev): -8.2190 -8.2190 -8.2168 -8.2168 -8.1902 -8.1902 -8.1887 -8.1887 -7.3881 -7.3881 -7.3852 -7.3852 -7.3485 -7.3485 -7.3460 -7.3460 -7.3113 -7.3113 -7.3096 -7.3096 -6.1837 -6.1837 -6.1828 -6.1828 0.4984 0.4984 0.5030 0.5030 3.7496 3.7496 3.7845 3.7845 4.6200 4.6200 4.7631 4.7631 5.5250 5.5250 5.6540 5.6540 7.9339 7.9339 8.0133 8.0133 9.2850 9.2850 9.3559 9.3559 k =-0.4853 0.2305 0.7142 ( 4078 PWs) bands (ev): -8.2185 -8.2185 -8.2171 -8.2171 -8.1898 -8.1898 -8.1888 -8.1888 -7.3874 -7.3874 -7.3855 -7.3855 -7.3475 -7.3475 -7.3459 -7.3459 -7.3111 -7.3111 -7.3099 -7.3099 -6.1860 -6.1860 -6.1854 -6.1854 0.4927 0.4927 0.4957 0.4957 3.7893 3.7893 3.8154 3.8154 4.6432 4.6432 4.7456 4.7456 5.5244 5.5244 5.6145 5.6145 7.9960 7.9960 8.0534 8.0534 9.2227 9.2227 9.2743 9.2743 k =-0.4927 0.2114 0.7142 ( 4076 PWs) bands (ev): -8.2182 -8.2182 -8.2174 -8.2174 -8.1894 -8.1894 -8.1889 -8.1889 -7.3868 -7.3868 -7.3859 -7.3859 -7.3468 -7.3468 -7.3460 -7.3460 -7.3108 -7.3108 -7.3102 -7.3102 -6.1873 -6.1873 -6.1871 -6.1871 0.4895 0.4895 0.4911 0.4911 3.8172 3.8172 3.8312 3.8312 4.6691 4.6691 4.7227 4.7227 5.5335 5.5335 5.5799 5.5799 8.0442 8.0442 8.0747 8.0747 9.1876 9.1876 9.2152 9.2152 k =-0.5000 0.1923 0.7142 ( 4084 PWs) bands (ev): -8.2178 -8.2178 -8.2178 -8.2178 -8.1891 -8.1891 -8.1891 -8.1891 -7.3863 -7.3863 -7.3863 -7.3863 -7.3463 -7.3463 -7.3463 -7.3463 -7.3105 -7.3105 -7.3105 -7.3105 -6.1877 -6.1877 -6.1877 -6.1877 0.4890 0.4890 0.4890 0.4890 3.8316 3.8316 3.8316 3.8316 4.6964 4.6964 4.6964 4.6964 5.5523 5.5523 5.5523 5.5523 8.0719 8.0719 8.0719 8.0719 9.1849 9.1849 9.1849 9.1849 k =-0.5000 0.1923 0.7142 ( 4084 PWs) bands (ev): -8.2178 -8.2178 -8.2178 -8.2178 -8.1891 -8.1891 -8.1891 -8.1891 -7.3863 -7.3863 -7.3863 -7.3863 -7.3463 -7.3463 -7.3463 -7.3463 -7.3105 -7.3105 -7.3105 -7.3105 -6.1877 -6.1877 -6.1877 -6.1877 0.4890 0.4890 0.4890 0.4890 3.8316 3.8316 3.8316 3.8316 4.6964 4.6964 4.6964 4.6964 5.5523 5.5523 5.5523 5.5523 8.0719 8.0719 8.0719 8.0719 9.1849 9.1849 9.1849 9.1849 k =-0.5000 0.1923 0.6932 ( 4080 PWs) bands (ev): -8.2182 -8.2182 -8.2174 -8.2174 -8.1896 -8.1896 -8.1887 -8.1887 -7.3874 -7.3874 -7.3853 -7.3853 -7.3470 -7.3470 -7.3455 -7.3455 -7.3111 -7.3111 -7.3099 -7.3099 -6.1947 -6.1947 -6.1813 -6.1813 0.4651 0.4651 0.5165 0.5165 3.7964 3.7964 3.8647 3.8647 4.6653 4.6653 4.7224 4.7224 5.5139 5.5139 5.5978 5.5978 8.0011 8.0011 8.1376 8.1376 9.1639 9.1639 9.2116 9.2116 k =-0.5000 0.1923 0.6722 ( 4076 PWs) bands (ev): -8.2186 -8.2186 -8.2170 -8.2170 -8.1900 -8.1900 -8.1884 -8.1884 -7.3886 -7.3886 -7.3843 -7.3843 -7.3477 -7.3477 -7.3447 -7.3447 -7.3117 -7.3117 -7.3094 -7.3094 -6.2021 -6.2021 -6.1755 -6.1755 0.4448 0.4448 0.5478 0.5478 3.7595 3.7595 3.8954 3.8954 4.6298 4.6298 4.7430 4.7430 5.4823 5.4823 5.6503 5.6503 7.9262 7.9262 8.1973 8.1973 9.1493 9.1493 9.2437 9.2437 k =-0.5000 0.1923 0.6512 ( 4082 PWs) bands (ev): -8.2191 -8.2191 -8.2166 -8.2166 -8.1905 -8.1905 -8.1880 -8.1880 -7.3898 -7.3898 -7.3834 -7.3834 -7.3484 -7.3484 -7.3439 -7.3439 -7.3122 -7.3122 -7.3088 -7.3088 -6.2101 -6.2101 -6.1703 -6.1703 0.4280 0.4280 0.5828 0.5828 3.7209 3.7209 3.9236 3.9236 4.5907 4.5907 4.7582 4.7582 5.4570 5.4570 5.7095 5.7095 7.8482 7.8482 8.2498 8.2498 9.1413 9.1413 9.2805 9.2805 k =-0.5000 0.1923 0.6302 ( 4082 PWs) bands (ev): -8.2196 -8.2196 -8.2162 -8.2162 -8.1910 -8.1910 -8.1877 -8.1877 -7.3911 -7.3911 -7.3827 -7.3827 -7.3491 -7.3491 -7.3432 -7.3432 -7.3128 -7.3128 -7.3082 -7.3082 -6.2186 -6.2186 -6.1656 -6.1656 0.4147 0.4147 0.6215 0.6215 3.6811 3.6811 3.9491 3.9491 4.5487 4.5487 4.7683 4.7683 5.4372 5.4372 5.7749 5.7749 7.7680 7.7680 8.2943 8.2943 9.1402 9.1402 9.3216 9.3216 k =-0.5000 0.1923 0.6092 ( 4084 PWs) bands (ev): -8.2200 -8.2200 -8.2158 -8.2158 -8.1914 -8.1914 -8.1874 -8.1874 -7.3924 -7.3924 -7.3820 -7.3820 -7.3497 -7.3497 -7.3424 -7.3424 -7.3134 -7.3134 -7.3077 -7.3077 -6.2275 -6.2275 -6.1616 -6.1616 0.4048 0.4048 0.6639 0.6639 3.6402 3.6402 3.9717 3.9717 4.5049 4.5049 4.7736 4.7736 5.4222 5.4222 5.8456 5.8456 7.6866 7.6866 8.3302 8.3302 9.1463 9.1463 9.3666 9.3666 k =-0.5000 0.1923 0.5882 ( 4076 PWs) bands (ev): -8.2205 -8.2205 -8.2154 -8.2154 -8.1919 -8.1919 -8.1872 -8.1872 -7.3937 -7.3937 -7.3814 -7.3814 -7.3503 -7.3503 -7.3417 -7.3417 -7.3139 -7.3139 -7.3071 -7.3071 -6.2368 -6.2368 -6.1581 -6.1581 0.3980 0.3980 0.7100 0.7100 3.5985 3.5985 3.9911 3.9911 4.4602 4.4602 4.7746 4.7746 5.4110 5.4110 5.9206 5.9206 7.6050 7.6050 8.3569 8.3569 9.1595 9.1595 9.4152 9.4152 k =-0.5000 0.1923 0.5672 ( 4072 PWs) bands (ev): -8.2210 -8.2210 -8.2150 -8.2150 -8.1924 -8.1924 -8.1870 -8.1870 -7.3951 -7.3951 -7.3810 -7.3810 -7.3508 -7.3508 -7.3410 -7.3410 -7.3144 -7.3144 -7.3065 -7.3065 -6.2464 -6.2464 -6.1552 -6.1552 0.3944 0.3944 0.7597 0.7597 3.5564 3.5564 4.0071 4.0071 4.4154 4.4154 4.7721 4.7721 5.4030 5.4030 5.9986 5.9986 7.5244 7.5244 8.3745 8.3745 9.1798 9.1798 9.4671 9.4671 k =-0.5000 0.1923 0.5461 ( 4074 PWs) bands (ev): -8.2216 -8.2216 -8.2147 -8.2147 -8.1929 -8.1929 -8.1869 -8.1869 -7.3964 -7.3964 -7.3806 -7.3806 -7.3513 -7.3513 -7.3403 -7.3403 -7.3149 -7.3149 -7.3060 -7.3060 -6.2564 -6.2564 -6.1529 -6.1529 0.3936 0.3936 0.8130 0.8130 3.5139 3.5139 4.0197 4.0197 4.3713 4.3713 4.7665 4.7665 5.3973 5.3973 6.0779 6.0779 7.4463 7.4463 8.3833 8.3833 9.2072 9.2072 9.5221 9.5221 k =-0.5000 0.1923 0.5251 ( 4074 PWs) bands (ev): -8.2221 -8.2221 -8.2143 -8.2143 -8.1933 -8.1933 -8.1868 -8.1868 -7.3978 -7.3978 -7.3804 -7.3804 -7.3518 -7.3518 -7.3396 -7.3396 -7.3154 -7.3154 -7.3053 -7.3053 -6.2666 -6.2666 -6.1511 -6.1511 0.3956 0.3956 0.8698 0.8698 3.4715 3.4715 4.0284 4.0284 4.3287 4.3287 4.7584 4.7584 5.3933 5.3933 6.1564 6.1564 7.3729 7.3729 8.3839 8.3839 9.2415 9.2415 9.5800 9.5800 k =-0.5000 0.1923 0.5041 ( 4060 PWs) bands (ev): -8.2226 -8.2226 -8.2139 -8.2139 -8.1938 -8.1938 -8.1867 -8.1867 -7.3991 -7.3991 -7.3802 -7.3802 -7.3523 -7.3523 -7.3390 -7.3390 -7.3159 -7.3159 -7.3047 -7.3047 -6.2769 -6.2769 -6.1497 -6.1497 0.4002 0.4002 0.9300 0.9300 3.4293 3.4293 4.0331 4.0331 4.2883 4.2883 4.7484 4.7484 5.3905 5.3905 6.2307 6.2307 7.3072 7.3072 8.3772 8.3772 9.2826 9.2826 9.6405 9.6405 k =-0.5000 0.1923 0.4831 ( 4068 PWs) bands (ev): -8.2232 -8.2232 -8.2136 -8.2136 -8.1942 -8.1942 -8.1867 -8.1867 -7.4005 -7.4005 -7.3802 -7.3802 -7.3528 -7.3528 -7.3384 -7.3384 -7.3163 -7.3163 -7.3041 -7.3041 -6.2874 -6.2874 -6.1489 -6.1489 0.4071 0.4071 0.9935 0.9935 3.3875 3.3875 4.0334 4.0334 4.2509 4.2509 4.7367 4.7367 5.3885 5.3885 6.2964 6.2964 7.2536 7.2536 8.3641 8.3641 9.3305 9.3305 9.7030 9.7030 k =-0.5000 0.1923 0.4621 ( 4072 PWs) bands (ev): -8.2238 -8.2238 -8.2132 -8.2132 -8.1946 -8.1946 -8.1868 -8.1868 -7.4018 -7.4018 -7.3802 -7.3802 -7.3534 -7.3534 -7.3379 -7.3379 -7.3167 -7.3167 -7.3034 -7.3034 -6.2981 -6.2981 -6.1485 -6.1485 0.4161 0.4161 1.0601 1.0601 3.3464 3.3464 4.0289 4.0289 4.2172 4.2172 4.7238 4.7238 5.3869 5.3869 6.3473 6.3473 7.2183 7.2183 8.3456 8.3456 9.3851 9.3851 9.7672 9.7672 k =-0.5000 0.1923 0.4411 ( 4084 PWs) bands (ev): -8.2243 -8.2243 -8.2129 -8.2129 -8.1950 -8.1950 -8.1869 -8.1869 -7.4031 -7.4031 -7.3804 -7.3804 -7.3539 -7.3539 -7.3373 -7.3373 -7.3170 -7.3170 -7.3027 -7.3027 -6.3087 -6.3087 -6.1485 -6.1485 0.4271 0.4271 1.1297 1.1297 3.3062 3.3062 4.0195 4.0195 4.1875 4.1875 4.7099 4.7099 5.3856 5.3856 6.3764 6.3764 7.2080 7.2080 8.3227 8.3227 9.4464 9.4464 9.8325 9.8325 k =-0.5000 0.1923 0.4201 ( 4076 PWs) bands (ev): -8.2249 -8.2249 -8.2125 -8.2125 -8.1954 -8.1954 -8.1870 -8.1870 -7.4044 -7.4044 -7.3805 -7.3805 -7.3545 -7.3545 -7.3368 -7.3368 -7.3174 -7.3174 -7.3019 -7.3019 -6.3193 -6.3193 -6.1488 -6.1488 0.4397 0.4397 1.2022 1.2022 3.2670 3.2670 4.0055 4.0055 4.1619 4.1619 4.6953 4.6953 5.3843 5.3843 6.3792 6.3792 7.2274 7.2274 8.2964 8.2964 9.5140 9.5140 9.8980 9.8980 k =-0.5000 0.1923 0.3991 ( 4068 PWs) bands (ev): -8.2255 -8.2255 -8.2122 -8.2122 -8.1957 -8.1957 -8.1872 -8.1872 -7.4056 -7.4056 -7.3808 -7.3808 -7.3552 -7.3552 -7.3363 -7.3363 -7.3177 -7.3177 -7.3011 -7.3011 -6.3297 -6.3297 -6.1495 -6.1495 0.4538 0.4538 1.2773 1.2773 3.2291 3.2291 3.9876 3.9876 4.1398 4.1398 4.6803 4.6803 5.3829 5.3829 6.3562 6.3562 7.2758 7.2758 8.2675 8.2675 9.5878 9.5878 9.9632 9.9632 k =-0.5000 0.1923 0.3781 ( 4064 PWs) bands (ev): -8.2261 -8.2261 -8.2118 -8.2118 -8.1961 -8.1961 -8.1874 -8.1874 -7.4068 -7.4068 -7.3811 -7.3811 -7.3558 -7.3558 -7.3359 -7.3359 -7.3180 -7.3180 -7.3003 -7.3003 -6.3401 -6.3401 -6.1504 -6.1504 0.4691 0.4691 1.3548 1.3548 3.1926 3.1926 3.9673 3.9673 4.1198 4.1198 4.6649 4.6649 5.3814 5.3814 6.3124 6.3124 7.3481 7.3481 8.2369 8.2369 9.6675 9.6675 10.0274 10.0274 k =-0.5000 0.1923 0.3571 ( 4056 PWs) bands (ev): -8.2267 -8.2267 -8.2114 -8.2114 -8.1964 -8.1964 -8.1877 -8.1877 -7.4080 -7.4080 -7.3814 -7.3814 -7.3566 -7.3566 -7.3354 -7.3354 -7.3183 -7.3183 -7.2995 -7.2995 -6.3502 -6.3502 -6.1516 -6.1516 0.4853 0.4853 1.4346 1.4346 3.1577 3.1577 3.9459 3.9459 4.1009 4.1009 4.6493 4.6493 5.3796 5.3796 6.2541 6.2541 7.4379 7.4379 8.2054 8.2054 9.7528 9.7528 10.0899 10.0899 k =-0.5000 0.1923 0.3361 ( 4062 PWs) bands (ev): -8.2272 -8.2272 -8.2111 -8.2111 -8.1967 -8.1967 -8.1880 -8.1880 -7.4091 -7.4091 -7.3817 -7.3817 -7.3573 -7.3573 -7.3350 -7.3350 -7.3186 -7.3186 -7.2987 -7.2987 -6.3600 -6.3600 -6.1530 -6.1530 0.5022 0.5022 1.5162 1.5162 3.1247 3.1247 3.9244 3.9244 4.0819 4.0819 4.6336 4.6336 5.3777 5.3777 6.1866 6.1866 7.5396 7.5396 8.1741 8.1741 9.8432 9.8432 10.1499 10.1499 k =-0.5000 0.1923 0.3151 ( 4062 PWs) bands (ev): -8.2278 -8.2278 -8.2107 -8.2107 -8.1969 -8.1969 -8.1883 -8.1883 -7.4102 -7.4102 -7.3821 -7.3821 -7.3581 -7.3581 -7.3345 -7.3345 -7.3188 -7.3188 -7.2978 -7.2978 -6.3696 -6.3696 -6.1545 -6.1545 0.5195 0.5195 1.5993 1.5993 3.0935 3.0935 3.9037 3.9037 4.0621 4.0621 4.6180 4.6180 5.3756 5.3756 6.1137 6.1137 7.6483 7.6483 8.1447 8.1447 9.9382 9.9382 10.2070 10.2070 k =-0.5000 0.1923 0.2941 ( 4066 PWs) bands (ev): -8.2283 -8.2283 -8.2104 -8.2104 -8.1972 -8.1972 -8.1887 -8.1887 -7.4112 -7.4112 -7.3825 -7.3825 -7.3589 -7.3589 -7.3341 -7.3341 -7.3191 -7.3191 -7.2970 -7.2970 -6.3788 -6.3788 -6.1562 -6.1562 0.5370 0.5370 1.6837 1.6837 3.0646 3.0646 3.8842 3.8842 4.0409 4.0409 4.6024 4.6024 5.3733 5.3733 6.0381 6.0381 7.7588 7.7588 8.1202 8.1202 10.0373 10.0373 10.2604 10.2604 k =-0.5000 0.1923 0.2731 ( 4070 PWs) bands (ev): -8.2289 -8.2289 -8.2100 -8.2100 -8.1974 -8.1974 -8.1890 -8.1890 -7.4122 -7.4122 -7.3829 -7.3829 -7.3597 -7.3597 -7.3337 -7.3337 -7.3193 -7.3193 -7.2962 -7.2962 -6.3875 -6.3875 -6.1579 -6.1579 0.5545 0.5545 1.7689 1.7689 3.0380 3.0380 3.8663 3.8663 4.0180 4.0180 4.5871 4.5871 5.3708 5.3708 5.9619 5.9619 7.8602 7.8602 8.1104 8.1104 10.1397 10.1397 10.3099 10.3099 k =-0.5000 0.1923 0.2521 ( 4076 PWs) bands (ev): -8.2294 -8.2294 -8.2097 -8.2097 -8.1976 -8.1976 -8.1894 -8.1894 -7.4131 -7.4131 -7.3832 -7.3832 -7.3605 -7.3605 -7.3333 -7.3333 -7.3196 -7.3196 -7.2954 -7.2954 -6.3958 -6.3958 -6.1596 -6.1596 0.5716 0.5716 1.8542 1.8542 3.0141 3.0141 3.8499 3.8499 3.9931 3.9931 4.5720 4.5720 5.3683 5.3683 5.8865 5.8865 7.9253 7.9253 8.1414 8.1414 10.2447 10.2447 10.3550 10.3550 k =-0.5000 0.1923 0.2311 ( 4076 PWs) bands (ev): -8.2299 -8.2299 -8.2093 -8.2093 -8.1978 -8.1978 -8.1899 -8.1899 -7.4139 -7.4139 -7.3836 -7.3836 -7.3613 -7.3613 -7.3329 -7.3329 -7.3198 -7.3198 -7.2946 -7.2946 -6.4036 -6.4036 -6.1614 -6.1614 0.5883 0.5883 1.9391 1.9391 2.9930 2.9930 3.8350 3.8350 3.9661 3.9661 4.5572 4.5572 5.3657 5.3657 5.8132 5.8132 7.9371 7.9371 8.2295 8.2295 10.3505 10.3505 10.3957 10.3957 k =-0.5000 0.1923 0.2101 ( 4066 PWs) bands (ev): -8.2303 -8.2303 -8.2090 -8.2090 -8.1980 -8.1980 -8.1903 -8.1903 -7.4147 -7.4147 -7.3839 -7.3839 -7.3621 -7.3621 -7.3326 -7.3326 -7.3200 -7.3200 -7.2939 -7.2939 -6.4108 -6.4108 -6.1631 -6.1631 0.6042 0.6042 2.0229 2.0229 2.9752 2.9752 3.8215 3.8215 3.9371 3.9371 4.5430 4.5430 5.3632 5.3632 5.7430 5.7430 7.9229 7.9229 8.3471 8.3471 10.4279 10.4279 10.4595 10.4595 k =-0.5000 0.1923 0.1891 ( 4068 PWs) bands (ev): -8.2307 -8.2307 -8.2087 -8.2087 -8.1981 -8.1981 -8.1907 -8.1907 -7.4154 -7.4154 -7.3843 -7.3843 -7.3629 -7.3629 -7.3322 -7.3322 -7.3202 -7.3202 -7.2932 -7.2932 -6.4175 -6.4175 -6.1647 -6.1647 0.6192 0.6192 2.1044 2.1044 2.9611 2.9611 3.8088 3.8088 3.9063 3.9063 4.5293 4.5293 5.3607 5.3607 5.6770 5.6770 7.9013 7.9013 8.4752 8.4752 10.4583 10.4583 10.5608 10.5608 k =-0.5000 0.1923 0.1680 ( 4068 PWs) bands (ev): -8.2311 -8.2311 -8.2084 -8.2084 -8.1983 -8.1983 -8.1911 -8.1911 -7.4161 -7.4161 -7.3846 -7.3846 -7.3636 -7.3636 -7.3319 -7.3319 -7.3204 -7.3204 -7.2926 -7.2926 -6.4235 -6.4235 -6.1663 -6.1663 0.6331 0.6331 2.1826 2.1826 2.9512 2.9512 3.7959 3.7959 3.8748 3.8748 4.5163 4.5163 5.3583 5.3583 5.6160 5.6160 7.8781 7.8781 8.6073 8.6073 10.4809 10.4809 10.6480 10.6480 k =-0.5000 0.1923 0.1470 ( 4068 PWs) bands (ev): -8.2314 -8.2314 -8.2081 -8.2081 -8.1984 -8.1984 -8.1914 -8.1914 -7.4166 -7.4166 -7.3849 -7.3849 -7.3642 -7.3642 -7.3316 -7.3316 -7.3206 -7.3206 -7.2920 -7.2920 -6.4289 -6.4289 -6.1677 -6.1677 0.6457 0.6457 2.2559 2.2559 2.9460 2.9460 3.7803 3.7803 3.8453 3.8453 4.5043 4.5043 5.3560 5.3560 5.5607 5.5607 7.8555 7.8555 8.7407 8.7407 10.4939 10.4939 10.6152 10.6152 k =-0.5000 0.1923 0.1260 ( 4058 PWs) bands (ev): -8.2317 -8.2317 -8.2078 -8.2078 -8.1985 -8.1985 -8.1918 -8.1918 -7.4171 -7.4171 -7.3851 -7.3851 -7.3648 -7.3648 -7.3314 -7.3314 -7.3207 -7.3207 -7.2915 -7.2915 -6.4337 -6.4337 -6.1690 -6.1690 0.6569 0.6569 2.3227 2.3227 2.9463 2.9463 3.7577 3.7577 3.8224 3.8224 4.4933 4.4933 5.3539 5.3539 5.5117 5.5117 7.8347 7.8347 8.8735 8.8735 10.4919 10.4919 10.5749 10.5749 k =-0.5000 0.1923 0.1050 ( 4050 PWs) bands (ev): -8.2320 -8.2320 -8.2076 -8.2076 -8.1986 -8.1986 -8.1921 -8.1921 -7.4175 -7.4175 -7.3853 -7.3853 -7.3653 -7.3653 -7.3312 -7.3312 -7.3208 -7.3208 -7.2911 -7.2911 -6.4377 -6.4377 -6.1701 -6.1701 0.6667 0.6667 2.3811 2.3811 2.9521 2.9521 3.7268 3.7268 3.8083 3.8083 4.4836 4.4836 5.3520 5.3520 5.4697 5.4697 7.8163 7.8163 9.0038 9.0038 10.4648 10.4648 10.5136 10.5136 k =-0.5000 0.1923 0.0840 ( 4046 PWs) bands (ev): -8.2322 -8.2322 -8.2074 -8.2074 -8.1986 -8.1986 -8.1923 -8.1923 -7.4179 -7.4179 -7.3855 -7.3855 -7.3657 -7.3657 -7.3310 -7.3310 -7.3209 -7.3209 -7.2907 -7.2907 -6.4411 -6.4411 -6.1711 -6.1711 0.6747 0.6747 2.4295 2.4295 2.9633 2.9633 3.6920 3.6920 3.8000 3.8000 4.4753 4.4753 5.3502 5.3502 5.4350 5.4350 7.8007 7.8007 9.1293 9.1293 10.3900 10.3900 10.4720 10.4720 k =-0.5000 0.1923 0.0630 ( 4046 PWs) bands (ev): -8.2324 -8.2324 -8.2072 -8.2072 -8.1987 -8.1987 -8.1926 -8.1926 -7.4181 -7.4181 -7.3856 -7.3856 -7.3660 -7.3660 -7.3308 -7.3308 -7.3210 -7.3210 -7.2904 -7.2904 -6.4437 -6.4437 -6.1718 -6.1718 0.6811 0.6811 2.4668 2.4668 2.9783 2.9783 3.6581 3.6581 3.7950 3.7950 4.4687 4.4687 5.3486 5.3486 5.4081 5.4081 7.7882 7.7882 9.2459 9.2459 10.2968 10.2968 10.4481 10.4481 k =-0.5000 0.1923 0.0420 ( 4046 PWs) bands (ev): -8.2325 -8.2325 -8.2071 -8.2071 -8.1987 -8.1987 -8.1927 -8.1927 -7.4183 -7.4183 -7.3857 -7.3857 -7.3663 -7.3663 -7.3307 -7.3307 -7.3211 -7.3211 -7.2902 -7.2902 -6.4455 -6.4455 -6.1724 -6.1724 0.6857 0.6857 2.4929 2.4929 2.9938 2.9938 3.6293 3.6293 3.7919 3.7919 4.4638 4.4638 5.3471 5.3471 5.3890 5.3890 7.7792 7.7792 9.3469 9.3469 10.2102 10.2102 10.4311 10.4311 k =-0.5000 0.1923 0.0210 ( 4050 PWs) bands (ev): -8.2326 -8.2326 -8.2070 -8.2070 -8.1988 -8.1988 -8.1928 -8.1928 -7.4184 -7.4184 -7.3858 -7.3858 -7.3664 -7.3664 -7.3307 -7.3307 -7.3211 -7.3211 -7.2901 -7.2901 -6.4467 -6.4467 -6.1727 -6.1727 0.6885 0.6885 2.5081 2.5081 3.0057 3.0057 3.6098 3.6098 3.7902 3.7902 4.4608 4.4608 5.3459 5.3459 5.3779 5.3779 7.7736 7.7736 9.4198 9.4198 10.1454 10.1454 10.4208 10.4208 k =-0.5000 0.1923 0.0000 ( 4050 PWs) bands (ev): -8.2326 -8.2326 -8.2070 -8.2070 -8.1988 -8.1988 -8.1928 -8.1928 -7.4185 -7.4185 -7.3858 -7.3858 -7.3665 -7.3665 -7.3307 -7.3307 -7.3211 -7.3211 -7.2900 -7.2900 -6.4471 -6.4471 -6.1728 -6.1728 0.6894 0.6894 2.5131 2.5131 3.0102 3.0102 3.6029 3.6029 3.7897 3.7897 4.4598 4.4598 5.3453 5.3453 5.3743 5.3743 7.7718 7.7718 9.4474 9.4474 10.1205 10.1205 10.4173 10.4173 k = 0.0000 0.0000 0.7142 ( 4038 PWs) bands (ev): -8.2159 -8.2159 -8.2159 -8.2159 -8.1948 -8.1948 -8.1948 -8.1948 -7.3911 -7.3911 -7.3911 -7.3911 -7.3447 -7.3447 -7.3447 -7.3447 -7.3214 -7.3214 -7.3214 -7.3214 -6.1834 -6.1834 -6.1834 -6.1834 1.1038 1.1038 1.1038 1.1038 3.0246 3.0246 3.0246 3.0246 4.1685 4.1685 4.1685 4.1685 5.7451 5.7451 5.7451 5.7451 7.9417 7.9417 7.9417 7.9417 8.6144 8.6144 8.6144 8.6144 k =-0.0192 0.0074 0.7142 ( 4042 PWs) bands (ev): -8.2159 -8.2159 -8.2159 -8.2159 -8.1947 -8.1947 -8.1947 -8.1947 -7.3911 -7.3911 -7.3911 -7.3911 -7.3447 -7.3447 -7.3447 -7.3447 -7.3213 -7.3213 -7.3213 -7.3213 -6.1834 -6.1834 -6.1834 -6.1834 1.1005 1.1005 1.1005 1.1005 3.0298 3.0298 3.0298 3.0298 4.1686 4.1686 4.1686 4.1686 5.7441 5.7441 5.7441 5.7441 7.9438 7.9438 7.9438 7.9438 8.6163 8.6163 8.6163 8.6163 k =-0.0385 0.0148 0.7142 ( 4042 PWs) bands (ev): -8.2159 -8.2159 -8.2159 -8.2159 -8.1947 -8.1947 -8.1947 -8.1947 -7.3910 -7.3910 -7.3910 -7.3910 -7.3448 -7.3448 -7.3448 -7.3448 -7.3212 -7.3212 -7.3212 -7.3212 -6.1835 -6.1835 -6.1835 -6.1835 1.0905 1.0905 1.0905 1.0905 3.0452 3.0452 3.0452 3.0452 4.1691 4.1691 4.1691 4.1691 5.7410 5.7410 5.7410 5.7410 7.9502 7.9502 7.9502 7.9502 8.6219 8.6219 8.6219 8.6219 k =-0.0577 0.0222 0.7142 ( 4046 PWs) bands (ev): -8.2159 -8.2159 -8.2159 -8.2159 -8.1946 -8.1946 -8.1946 -8.1946 -7.3909 -7.3909 -7.3909 -7.3909 -7.3448 -7.3448 -7.3448 -7.3448 -7.3210 -7.3210 -7.3210 -7.3210 -6.1835 -6.1835 -6.1835 -6.1835 1.0744 1.0744 1.0744 1.0744 3.0703 3.0703 3.0703 3.0703 4.1699 4.1699 4.1699 4.1699 5.7359 5.7359 5.7359 5.7359 7.9606 7.9606 7.9606 7.9606 8.6311 8.6311 8.6311 8.6311 k =-0.0769 0.0296 0.7142 ( 4052 PWs) bands (ev): -8.2160 -8.2160 -8.2160 -8.2160 -8.1944 -8.1944 -8.1944 -8.1944 -7.3908 -7.3908 -7.3908 -7.3908 -7.3449 -7.3449 -7.3449 -7.3449 -7.3208 -7.3208 -7.3208 -7.3208 -6.1837 -6.1837 -6.1837 -6.1837 1.0529 1.0529 1.0529 1.0529 3.1042 3.1042 3.1042 3.1042 4.1713 4.1713 4.1713 4.1713 5.7290 5.7290 5.7290 5.7290 7.9747 7.9747 7.9747 7.9747 8.6439 8.6439 8.6439 8.6439 k =-0.0962 0.0370 0.7142 ( 4052 PWs) bands (ev): -8.2161 -8.2161 -8.2161 -8.2161 -8.1942 -8.1942 -8.1942 -8.1942 -7.3906 -7.3906 -7.3906 -7.3906 -7.3449 -7.3449 -7.3449 -7.3449 -7.3204 -7.3204 -7.3204 -7.3204 -6.1838 -6.1838 -6.1838 -6.1838 1.0265 1.0265 1.0265 1.0265 3.1460 3.1460 3.1460 3.1460 4.1734 4.1734 4.1734 4.1734 5.7205 5.7205 5.7205 5.7205 7.9921 7.9921 7.9921 7.9921 8.6602 8.6602 8.6602 8.6602 k =-0.1154 0.0444 0.7142 ( 4064 PWs) bands (ev): -8.2162 -8.2162 -8.2162 -8.2162 -8.1940 -8.1940 -8.1940 -8.1940 -7.3904 -7.3904 -7.3904 -7.3904 -7.3450 -7.3450 -7.3450 -7.3450 -7.3200 -7.3200 -7.3200 -7.3200 -6.1839 -6.1839 -6.1839 -6.1839 0.9963 0.9963 0.9963 0.9963 3.1945 3.1945 3.1945 3.1945 4.1764 4.1764 4.1764 4.1764 5.7105 5.7105 5.7105 5.7105 8.0123 8.0123 8.0123 8.0123 8.6797 8.6797 8.6797 8.6797 k =-0.1346 0.0518 0.7142 ( 4062 PWs) bands (ev): -8.2163 -8.2163 -8.2163 -8.2163 -8.1937 -8.1937 -8.1937 -8.1937 -7.3902 -7.3902 -7.3902 -7.3902 -7.3451 -7.3451 -7.3451 -7.3451 -7.3196 -7.3196 -7.3196 -7.3196 -6.1841 -6.1841 -6.1841 -6.1841 0.9632 0.9632 0.9632 0.9632 3.2482 3.2482 3.2482 3.2482 4.1808 4.1808 4.1808 4.1808 5.6994 5.6994 5.6994 5.6994 8.0347 8.0347 8.0347 8.0347 8.7023 8.7023 8.7023 8.7023 k =-0.1538 0.0592 0.7142 ( 4060 PWs) bands (ev): -8.2164 -8.2164 -8.2164 -8.2164 -8.1934 -8.1934 -8.1934 -8.1934 -7.3899 -7.3899 -7.3899 -7.3899 -7.3452 -7.3452 -7.3452 -7.3452 -7.3191 -7.3191 -7.3191 -7.3191 -6.1843 -6.1843 -6.1843 -6.1843 0.9279 0.9279 0.9279 0.9279 3.3058 3.3058 3.3058 3.3058 4.1868 4.1868 4.1868 4.1868 5.6873 5.6873 5.6873 5.6873 8.0585 8.0585 8.0585 8.0585 8.7277 8.7277 8.7277 8.7277 k =-0.1731 0.0666 0.7142 ( 4060 PWs) bands (ev): -8.2165 -8.2165 -8.2165 -8.2165 -8.1931 -8.1931 -8.1931 -8.1931 -7.3897 -7.3897 -7.3897 -7.3897 -7.3453 -7.3453 -7.3453 -7.3453 -7.3185 -7.3185 -7.3185 -7.3185 -6.1845 -6.1845 -6.1845 -6.1845 0.8912 0.8912 0.8912 0.8912 3.3658 3.3658 3.3658 3.3658 4.1950 4.1950 4.1950 4.1950 5.6745 5.6745 5.6745 5.6745 8.0829 8.0829 8.0829 8.0829 8.7555 8.7555 8.7555 8.7555 k =-0.1923 0.0740 0.7142 ( 4056 PWs) bands (ev): -8.2166 -8.2166 -8.2166 -8.2166 -8.1928 -8.1928 -8.1928 -8.1928 -7.3894 -7.3894 -7.3894 -7.3894 -7.3454 -7.3454 -7.3454 -7.3454 -7.3179 -7.3179 -7.3179 -7.3179 -6.1848 -6.1848 -6.1848 -6.1848 0.8538 0.8538 0.8538 0.8538 3.4267 3.4267 3.4267 3.4267 4.2061 4.2061 4.2061 4.2061 5.6614 5.6614 5.6614 5.6614 8.1070 8.1070 8.1070 8.1070 8.7856 8.7856 8.7856 8.7856 k =-0.2115 0.0814 0.7142 ( 4064 PWs) bands (ev): -8.2167 -8.2167 -8.2167 -8.2167 -8.1925 -8.1925 -8.1925 -8.1925 -7.3891 -7.3891 -7.3891 -7.3891 -7.3455 -7.3455 -7.3455 -7.3455 -7.3173 -7.3173 -7.3173 -7.3173 -6.1850 -6.1850 -6.1850 -6.1850 0.8165 0.8165 0.8165 0.8165 3.4867 3.4867 3.4867 3.4867 4.2208 4.2208 4.2208 4.2208 5.6482 5.6482 5.6482 5.6482 8.1298 8.1298 8.1298 8.1298 8.8173 8.8173 8.8173 8.8173 k =-0.2308 0.0888 0.7142 ( 4068 PWs) bands (ev): -8.2168 -8.2168 -8.2168 -8.2168 -8.1922 -8.1922 -8.1922 -8.1922 -7.3888 -7.3888 -7.3888 -7.3888 -7.3456 -7.3456 -7.3456 -7.3456 -7.3167 -7.3167 -7.3167 -7.3167 -6.1853 -6.1853 -6.1853 -6.1853 0.7796 0.7796 0.7796 0.7796 3.5442 3.5442 3.5442 3.5442 4.2399 4.2399 4.2399 4.2399 5.6351 5.6351 5.6351 5.6351 8.1503 8.1503 8.1503 8.1503 8.8505 8.8505 8.8505 8.8505 k =-0.2500 0.0962 0.7142 ( 4068 PWs) bands (ev): -8.2169 -8.2169 -8.2169 -8.2169 -8.1918 -8.1918 -8.1918 -8.1918 -7.3885 -7.3885 -7.3885 -7.3885 -7.3457 -7.3457 -7.3457 -7.3457 -7.3160 -7.3160 -7.3160 -7.3160 -6.1855 -6.1855 -6.1855 -6.1855 0.7437 0.7437 0.7437 0.7437 3.5976 3.5976 3.5976 3.5976 4.2641 4.2641 4.2641 4.2641 5.6224 5.6224 5.6224 5.6224 8.1675 8.1675 8.1675 8.1675 8.8845 8.8845 8.8845 8.8845 k =-0.2692 0.1036 0.7142 ( 4062 PWs) bands (ev): -8.2171 -8.2171 -8.2171 -8.2171 -8.1915 -8.1915 -8.1915 -8.1915 -7.3882 -7.3882 -7.3882 -7.3882 -7.3457 -7.3457 -7.3457 -7.3457 -7.3153 -7.3153 -7.3153 -7.3153 -6.1858 -6.1858 -6.1858 -6.1858 0.7091 0.7091 0.7091 0.7091 3.6456 3.6456 3.6456 3.6456 4.2939 4.2939 4.2939 4.2939 5.6103 5.6103 5.6103 5.6103 8.1805 8.1805 8.1805 8.1805 8.9189 8.9189 8.9189 8.9189 k =-0.2885 0.1110 0.7142 ( 4076 PWs) bands (ev): -8.2172 -8.2172 -8.2172 -8.2172 -8.1912 -8.1912 -8.1912 -8.1912 -7.3880 -7.3880 -7.3880 -7.3880 -7.3458 -7.3458 -7.3458 -7.3458 -7.3147 -7.3147 -7.3147 -7.3147 -6.1861 -6.1861 -6.1861 -6.1861 0.6763 0.6763 0.6763 0.6763 3.6871 3.6871 3.6871 3.6871 4.3292 4.3292 4.3292 4.3292 5.5991 5.5991 5.5991 5.5991 8.1884 8.1884 8.1884 8.1884 8.9532 8.9532 8.9532 8.9532 k =-0.3077 0.1184 0.7142 ( 4068 PWs) bands (ev): -8.2173 -8.2173 -8.2173 -8.2173 -8.1908 -8.1908 -8.1908 -8.1908 -7.3877 -7.3877 -7.3877 -7.3877 -7.3459 -7.3459 -7.3459 -7.3459 -7.3141 -7.3141 -7.3141 -7.3141 -6.1863 -6.1863 -6.1863 -6.1863 0.6455 0.6455 0.6455 0.6455 3.7220 3.7220 3.7220 3.7220 4.3695 4.3695 4.3695 4.3695 5.5889 5.5889 5.5889 5.5889 8.1907 8.1907 8.1907 8.1907 8.9869 8.9869 8.9869 8.9869 k =-0.3269 0.1258 0.7142 ( 4080 PWs) bands (ev): -8.2174 -8.2174 -8.2174 -8.2174 -8.1905 -8.1905 -8.1905 -8.1905 -7.3874 -7.3874 -7.3874 -7.3874 -7.3460 -7.3460 -7.3460 -7.3460 -7.3135 -7.3135 -7.3135 -7.3135 -6.1865 -6.1865 -6.1865 -6.1865 0.6170 0.6170 0.6170 0.6170 3.7502 3.7502 3.7502 3.7502 4.4137 4.4137 4.4137 4.4137 5.5799 5.5799 5.5799 5.5799 8.1874 8.1874 8.1874 8.1874 9.0195 9.0195 9.0195 9.0195 k =-0.3462 0.1332 0.7142 ( 4080 PWs) bands (ev): -8.2174 -8.2174 -8.2174 -8.2174 -8.1903 -8.1903 -8.1903 -8.1903 -7.3872 -7.3872 -7.3872 -7.3872 -7.3460 -7.3460 -7.3460 -7.3460 -7.3129 -7.3129 -7.3129 -7.3129 -6.1868 -6.1868 -6.1868 -6.1868 0.5910 0.5910 0.5910 0.5910 3.7726 3.7726 3.7726 3.7726 4.4599 4.4599 4.4599 4.4599 5.5723 5.5723 5.5723 5.5723 8.1788 8.1788 8.1788 8.1788 9.0504 9.0504 9.0504 9.0504 k =-0.3654 0.1406 0.7142 ( 4074 PWs) bands (ev): -8.2175 -8.2175 -8.2175 -8.2175 -8.1900 -8.1900 -8.1900 -8.1900 -7.3870 -7.3870 -7.3870 -7.3870 -7.3461 -7.3461 -7.3461 -7.3461 -7.3124 -7.3124 -7.3124 -7.3124 -6.1870 -6.1870 -6.1870 -6.1870 0.5677 0.5677 0.5677 0.5677 3.7900 3.7900 3.7900 3.7900 4.5063 4.5063 4.5063 4.5063 5.5660 5.5660 5.5660 5.5660 8.1655 8.1655 8.1655 8.1655 9.0792 9.0792 9.0792 9.0792 k =-0.3846 0.1480 0.7142 ( 4086 PWs) bands (ev): -8.2176 -8.2176 -8.2176 -8.2176 -8.1898 -8.1898 -8.1898 -8.1898 -7.3868 -7.3868 -7.3868 -7.3868 -7.3461 -7.3461 -7.3461 -7.3461 -7.3119 -7.3119 -7.3119 -7.3119 -6.1872 -6.1872 -6.1872 -6.1872 0.5471 0.5471 0.5471 0.5471 3.8032 3.8032 3.8032 3.8032 4.5509 4.5509 4.5509 4.5509 5.5611 5.5611 5.5611 5.5611 8.1490 8.1490 8.1490 8.1490 9.1055 9.1055 9.1055 9.1055 k =-0.4038 0.1554 0.7142 ( 4080 PWs) bands (ev): -8.2176 -8.2176 -8.2176 -8.2176 -8.1896 -8.1896 -8.1896 -8.1896 -7.3867 -7.3867 -7.3867 -7.3867 -7.3462 -7.3462 -7.3462 -7.3462 -7.3115 -7.3115 -7.3115 -7.3115 -6.1873 -6.1873 -6.1873 -6.1873 0.5296 0.5296 0.5296 0.5296 3.8131 3.8131 3.8131 3.8131 4.5919 4.5919 4.5919 4.5919 5.5575 5.5575 5.5575 5.5575 8.1307 8.1307 8.1307 8.1307 9.1286 9.1286 9.1286 9.1286 k =-0.4231 0.1628 0.7142 ( 4074 PWs) bands (ev): -8.2177 -8.2177 -8.2177 -8.2177 -8.1894 -8.1894 -8.1894 -8.1894 -7.3865 -7.3865 -7.3865 -7.3865 -7.3462 -7.3462 -7.3462 -7.3462 -7.3111 -7.3111 -7.3111 -7.3111 -6.1875 -6.1875 -6.1875 -6.1875 0.5151 0.5151 0.5151 0.5151 3.8204 3.8204 3.8204 3.8204 4.6277 4.6277 4.6277 4.6277 5.5551 5.5551 5.5551 5.5551 8.1125 8.1125 8.1125 8.1125 9.1482 9.1482 9.1482 9.1482 k =-0.4423 0.1702 0.7142 ( 4068 PWs) bands (ev): -8.2177 -8.2177 -8.2177 -8.2177 -8.1893 -8.1893 -8.1893 -8.1893 -7.3864 -7.3864 -7.3864 -7.3864 -7.3462 -7.3462 -7.3462 -7.3462 -7.3109 -7.3109 -7.3109 -7.3109 -6.1876 -6.1876 -6.1876 -6.1876 0.5037 0.5037 0.5037 0.5037 3.8256 3.8256 3.8256 3.8256 4.6570 4.6570 4.6570 4.6570 5.5536 5.5536 5.5536 5.5536 8.0961 8.0961 8.0961 8.0961 9.1640 9.1640 9.1640 9.1640 k =-0.4615 0.1775 0.7142 ( 4076 PWs) bands (ev): -8.2178 -8.2178 -8.2178 -8.2178 -8.1892 -8.1892 -8.1892 -8.1892 -7.3864 -7.3864 -7.3864 -7.3864 -7.3462 -7.3462 -7.3462 -7.3462 -7.3107 -7.3107 -7.3107 -7.3107 -6.1876 -6.1876 -6.1876 -6.1876 0.4955 0.4955 0.4955 0.4955 3.8290 3.8290 3.8290 3.8290 4.6786 4.6786 4.6786 4.6786 5.5528 5.5528 5.5528 5.5528 8.0831 8.0831 8.0831 8.0831 9.1755 9.1755 9.1755 9.1755 k =-0.4808 0.1849 0.7142 ( 4076 PWs) bands (ev): -8.2178 -8.2178 -8.2178 -8.2178 -8.1892 -8.1892 -8.1892 -8.1892 -7.3863 -7.3863 -7.3863 -7.3863 -7.3463 -7.3463 -7.3463 -7.3463 -7.3106 -7.3106 -7.3106 -7.3106 -6.1877 -6.1877 -6.1877 -6.1877 0.4906 0.4906 0.4906 0.4906 3.8309 3.8309 3.8309 3.8309 4.6919 4.6919 4.6919 4.6919 5.5524 5.5524 5.5524 5.5524 8.0748 8.0748 8.0748 8.0748 9.1825 9.1825 9.1825 9.1825 k =-0.5000 0.1923 0.7142 ( 4084 PWs) bands (ev): -8.2178 -8.2178 -8.2178 -8.2178 -8.1891 -8.1891 -8.1891 -8.1891 -7.3863 -7.3863 -7.3863 -7.3863 -7.3463 -7.3463 -7.3463 -7.3463 -7.3105 -7.3105 -7.3105 -7.3105 -6.1877 -6.1877 -6.1877 -6.1877 0.4890 0.4890 0.4890 0.4890 3.8316 3.8316 3.8316 3.8316 4.6964 4.6964 4.6964 4.6964 5.5523 5.5523 5.5523 5.5523 8.0719 8.0719 8.0719 8.0719 9.1849 9.1849 9.1849 9.1849 Writing output data file InI.save init_run : 4.05s CPU 13.11s WALL ( 1 calls) electrons : 498.40s CPU 505.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.59s CPU 1.43s WALL ( 1 calls) Called by electrons: c_bands : 498.37s CPU 504.61s WALL ( 1 calls) v_of_rho : 0.26s CPU 0.78s WALL ( 1 calls) v_h : 0.05s CPU 0.05s WALL ( 1 calls) v_xc : 0.21s CPU 0.55s WALL ( 1 calls) newd : 0.52s CPU 0.66s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 362 calls) cegterg : 451.16s CPU 454.47s WALL ( 621 calls) Called by sum_band: Called by *egterg: h_psi : 227.70s CPU 233.86s WALL ( 9635 calls) s_psi : 25.99s CPU 26.35s WALL ( 9635 calls) g_psi : 0.48s CPU 0.60s WALL ( 8652 calls) cdiaghg : 138.70s CPU 137.00s WALL ( 9014 calls) cegterg:over : 41.33s CPU 38.90s WALL ( 8652 calls) cegterg:upda : 7.55s CPU 10.09s WALL ( 8652 calls) cegterg:last : 6.86s CPU 7.50s WALL ( 1707 calls) Called by h_psi: h_psi:vloc : 179.60s CPU 184.37s WALL ( 9635 calls) h_psi:vnl : 47.88s CPU 48.92s WALL ( 9635 calls) add_vuspsi : 17.00s CPU 20.02s WALL ( 9635 calls) General routines calbec : 30.85s CPU 28.76s WALL ( 9635 calls) fft : 0.48s CPU 1.34s WALL ( 19 calls) ffts : 0.00s CPU 0.08s WALL ( 4 calls) fftw : 171.45s CPU 175.17s WALL ( 1027272 calls) interpolate : 0.16s CPU 0.26s WALL ( 4 calls) davcio : 0.02s CPU 1.99s WALL ( 724 calls) Parallel routines fft_scatter : 100.45s CPU 101.98s WALL ( 1027295 calls) PWSCF : 9m25.89s CPU 11m20.18s WALL This run was terminated on: 11:21:43 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=