Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 4: 1 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Br.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 27 7 1893 1397 211 Max 34 28 8 1904 1416 220 Sum 1205 983 283 68265 50579 7867 bravais-lattice index = 14 lattice parameter (alat) = 8.7409 a.u. unit-cell volume = 1060.2289 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.740877 celldm(2)= 1.000000 celldm(3)= 1.952931 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.582376 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.582376 0.812920 0.000000 ) a(3) = ( 0.000000 0.000000 1.952931 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.716400 -0.000000 ) b(2) = ( 0.000000 1.230134 -0.000000 ) b(3) = ( 0.000000 0.000000 0.512051 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0067230 0.0130865 -0.0000000), wk = 0.0028090 k( 3) = ( 0.0134460 0.0261730 -0.0000000), wk = 0.0028090 k( 4) = ( 0.0201690 0.0392596 -0.0000000), wk = 0.0028090 k( 5) = ( 0.0268920 0.0523461 -0.0000000), wk = 0.0028090 k( 6) = ( 0.0336150 0.0654326 -0.0000000), wk = 0.0028090 k( 7) = ( 0.0403379 0.0785192 -0.0000000), wk = 0.0028090 k( 8) = ( 0.0470609 0.0916057 -0.0000000), wk = 0.0028090 k( 9) = ( 0.0537839 0.1046922 -0.0000000), wk = 0.0028090 k( 10) = ( 0.0605069 0.1177787 -0.0000000), wk = 0.0028090 k( 11) = ( 0.0672299 0.1308653 -0.0000000), wk = 0.0028090 k( 12) = ( 0.0739529 0.1439518 -0.0000000), wk = 0.0028090 k( 13) = ( 0.0806759 0.1570383 -0.0000000), wk = 0.0028090 k( 14) = ( 0.0873989 0.1701249 -0.0000000), wk = 0.0028090 k( 15) = ( 0.0941219 0.1832114 -0.0000000), wk = 0.0028090 k( 16) = ( 0.1008449 0.1962979 -0.0000000), wk = 0.0028090 k( 17) = ( 0.1075679 0.2093844 -0.0000000), wk = 0.0028090 k( 18) = ( 0.1142909 0.2224710 -0.0000000), wk = 0.0028090 k( 19) = ( 0.1210139 0.2355575 -0.0000000), wk = 0.0028090 k( 20) = ( 0.1277368 0.2486440 -0.0000000), wk = 0.0028090 k( 21) = ( 0.1344598 0.2617305 -0.0000000), wk = 0.0028090 k( 22) = ( 0.1411828 0.2748171 -0.0000000), wk = 0.0028090 k( 23) = ( 0.1479058 0.2879036 -0.0000000), wk = 0.0028090 k( 24) = ( 0.1546288 0.3009901 -0.0000000), wk = 0.0028090 k( 25) = ( 0.1613518 0.3140767 -0.0000000), wk = 0.0028090 k( 26) = ( 0.1680748 0.3271632 -0.0000000), wk = 0.0028090 k( 27) = ( 0.1747978 0.3402497 -0.0000000), wk = 0.0028090 k( 28) = ( 0.1815208 0.3533362 -0.0000000), wk = 0.0028090 k( 29) = ( 0.1882438 0.3664228 -0.0000000), wk = 0.0028090 k( 30) = ( 0.1949668 0.3795093 -0.0000000), wk = 0.0028090 k( 31) = ( 0.2016898 0.3925958 -0.0000000), wk = 0.0028090 k( 32) = ( 0.2084127 0.4056824 -0.0000000), wk = 0.0028090 k( 33) = ( 0.2151357 0.4187689 -0.0000000), wk = 0.0028090 k( 34) = ( 0.2218587 0.4318554 -0.0000000), wk = 0.0028090 k( 35) = ( 0.2285817 0.4449419 -0.0000000), wk = 0.0028090 k( 36) = ( 0.2353047 0.4580285 -0.0000000), wk = 0.0028090 k( 37) = ( 0.2420277 0.4711150 -0.0000000), wk = 0.0028090 k( 38) = ( 0.2487507 0.4842015 -0.0000000), wk = 0.0028090 k( 39) = ( 0.2554737 0.4972880 -0.0000000), wk = 0.0028090 k( 40) = ( 0.2621967 0.5103746 -0.0000000), wk = 0.0028090 k( 41) = ( 0.2689197 0.5234611 -0.0000000), wk = 0.0028090 k( 42) = ( 0.2756427 0.5365476 -0.0000000), wk = 0.0028090 k( 43) = ( 0.2823657 0.5496342 -0.0000000), wk = 0.0028090 k( 44) = ( 0.2890886 0.5627207 -0.0000000), wk = 0.0028090 k( 45) = ( 0.2958116 0.5758072 -0.0000000), wk = 0.0028090 k( 46) = ( 0.3025346 0.5888937 -0.0000000), wk = 0.0028090 k( 47) = ( 0.3092576 0.6019803 -0.0000000), wk = 0.0028090 k( 48) = ( 0.3159806 0.6150668 -0.0000000), wk = 0.0028090 k( 49) = ( 0.3159806 0.6150668 -0.0000000), wk = 0.0028090 k( 50) = ( 0.3016179 0.6150668 -0.0000000), wk = 0.0028090 k( 51) = ( 0.2872551 0.6150668 -0.0000000), wk = 0.0028090 k( 52) = ( 0.2728923 0.6150668 -0.0000000), wk = 0.0028090 k( 53) = ( 0.2585296 0.6150668 -0.0000000), wk = 0.0028090 k( 54) = ( 0.2441668 0.6150668 -0.0000000), wk = 0.0028090 k( 55) = ( 0.2298041 0.6150668 -0.0000000), wk = 0.0028090 k( 56) = ( 0.2154413 0.6150668 -0.0000000), wk = 0.0028090 k( 57) = ( 0.2010786 0.6150668 -0.0000000), wk = 0.0028090 k( 58) = ( 0.1867158 0.6150668 -0.0000000), wk = 0.0028090 k( 59) = ( 0.1723531 0.6150668 -0.0000000), wk = 0.0028090 k( 60) = ( 0.1579903 0.6150668 -0.0000000), wk = 0.0028090 k( 61) = ( 0.1436275 0.6150668 -0.0000000), wk = 0.0028090 k( 62) = ( 0.1292648 0.6150668 -0.0000000), wk = 0.0028090 k( 63) = ( 0.1149020 0.6150668 -0.0000000), wk = 0.0028090 k( 64) = ( 0.1005393 0.6150668 -0.0000000), wk = 0.0028090 k( 65) = ( 0.0861765 0.6150668 -0.0000000), wk = 0.0028090 k( 66) = ( 0.0718138 0.6150668 -0.0000000), wk = 0.0028090 k( 67) = ( 0.0574510 0.6150668 -0.0000000), wk = 0.0028090 k( 68) = ( 0.0430883 0.6150668 -0.0000000), wk = 0.0028090 k( 69) = ( 0.0287255 0.6150668 -0.0000000), wk = 0.0028090 k( 70) = ( 0.0143628 0.6150668 -0.0000000), wk = 0.0028090 k( 71) = ( 0.0000000 0.6150668 -0.0000000), wk = 0.0028090 k( 72) = ( 0.0000000 0.6150668 -0.0000000), wk = 0.0028090 k( 73) = ( 0.0000000 0.6150668 0.0142236), wk = 0.0028090 k( 74) = ( 0.0000000 0.6150668 0.0284473), wk = 0.0028090 k( 75) = ( 0.0000000 0.6150668 0.0426709), wk = 0.0028090 k( 76) = ( 0.0000000 0.6150668 0.0568945), wk = 0.0028090 k( 77) = ( 0.0000000 0.6150668 0.0711182), wk = 0.0028090 k( 78) = ( 0.0000000 0.6150668 0.0853418), wk = 0.0028090 k( 79) = ( 0.0000000 0.6150668 0.0995654), wk = 0.0028090 k( 80) = ( 0.0000000 0.6150668 0.1137891), wk = 0.0028090 k( 81) = ( 0.0000000 0.6150668 0.1280127), wk = 0.0028090 k( 82) = ( 0.0000000 0.6150668 0.1422364), wk = 0.0028090 k( 83) = ( 0.0000000 0.6150668 0.1564600), wk = 0.0028090 k( 84) = ( 0.0000000 0.6150668 0.1706836), wk = 0.0028090 k( 85) = ( 0.0000000 0.6150668 0.1849073), wk = 0.0028090 k( 86) = ( 0.0000000 0.6150668 0.1991309), wk = 0.0028090 k( 87) = ( 0.0000000 0.6150668 0.2133545), wk = 0.0028090 k( 88) = ( 0.0000000 0.6150668 0.2275782), wk = 0.0028090 k( 89) = ( 0.0000000 0.6150668 0.2418018), wk = 0.0028090 k( 90) = ( 0.0000000 0.6150668 0.2560254), wk = 0.0028090 k( 91) = ( 0.0000000 0.6150668 0.2560254), wk = 0.0028090 k( 92) = ( 0.0143628 0.6150668 0.2560254), wk = 0.0028090 k( 93) = ( 0.0287255 0.6150668 0.2560254), wk = 0.0028090 k( 94) = ( 0.0430883 0.6150668 0.2560254), wk = 0.0028090 k( 95) = ( 0.0574510 0.6150668 0.2560254), wk = 0.0028090 k( 96) = ( 0.0718138 0.6150668 0.2560254), wk = 0.0028090 k( 97) = ( 0.0861765 0.6150668 0.2560254), wk = 0.0028090 k( 98) = ( 0.1005393 0.6150668 0.2560254), wk = 0.0028090 k( 99) = ( 0.1149020 0.6150668 0.2560254), wk = 0.0028090 k( 100) = ( 0.1292648 0.6150668 0.2560254), wk = 0.0028090 k( 101) = ( 0.1436275 0.6150668 0.2560254), wk = 0.0028090 k( 102) = ( 0.1579903 0.6150668 0.2560254), wk = 0.0028090 k( 103) = ( 0.1723531 0.6150668 0.2560254), wk = 0.0028090 k( 104) = ( 0.1867158 0.6150668 0.2560254), wk = 0.0028090 k( 105) = ( 0.2010786 0.6150668 0.2560254), wk = 0.0028090 k( 106) = ( 0.2154413 0.6150668 0.2560254), wk = 0.0028090 k( 107) = ( 0.2298041 0.6150668 0.2560254), wk = 0.0028090 k( 108) = ( 0.2441668 0.6150668 0.2560254), wk = 0.0028090 k( 109) = ( 0.2585296 0.6150668 0.2560254), wk = 0.0028090 k( 110) = ( 0.2728923 0.6150668 0.2560254), wk = 0.0028090 k( 111) = ( 0.2872551 0.6150668 0.2560254), wk = 0.0028090 k( 112) = ( 0.3016179 0.6150668 0.2560254), wk = 0.0028090 k( 113) = ( 0.3159806 0.6150668 0.2560254), wk = 0.0028090 k( 114) = ( 0.3159806 0.6150668 0.2560254), wk = 0.0028090 k( 115) = ( 0.3092576 0.6019803 0.2560254), wk = 0.0028090 k( 116) = ( 0.3025346 0.5888937 0.2560254), wk = 0.0028090 k( 117) = ( 0.2958116 0.5758072 0.2560254), wk = 0.0028090 k( 118) = ( 0.2890886 0.5627207 0.2560254), wk = 0.0028090 k( 119) = ( 0.2823657 0.5496342 0.2560254), wk = 0.0028090 k( 120) = ( 0.2756427 0.5365476 0.2560254), wk = 0.0028090 k( 121) = ( 0.2689197 0.5234611 0.2560254), wk = 0.0028090 k( 122) = ( 0.2621967 0.5103746 0.2560254), wk = 0.0028090 k( 123) = ( 0.2554737 0.4972880 0.2560254), wk = 0.0028090 k( 124) = ( 0.2487507 0.4842015 0.2560254), wk = 0.0028090 k( 125) = ( 0.2420277 0.4711150 0.2560254), wk = 0.0028090 k( 126) = ( 0.2353047 0.4580285 0.2560254), wk = 0.0028090 k( 127) = ( 0.2285817 0.4449419 0.2560254), wk = 0.0028090 k( 128) = ( 0.2218587 0.4318554 0.2560254), wk = 0.0028090 k( 129) = ( 0.2151357 0.4187689 0.2560254), wk = 0.0028090 k( 130) = ( 0.2084127 0.4056824 0.2560254), wk = 0.0028090 k( 131) = ( 0.2016898 0.3925958 0.2560254), wk = 0.0028090 k( 132) = ( 0.1949668 0.3795093 0.2560254), wk = 0.0028090 k( 133) = ( 0.1882438 0.3664228 0.2560254), wk = 0.0028090 k( 134) = ( 0.1815208 0.3533362 0.2560254), wk = 0.0028090 k( 135) = ( 0.1747978 0.3402497 0.2560254), wk = 0.0028090 k( 136) = ( 0.1680748 0.3271632 0.2560254), wk = 0.0028090 k( 137) = ( 0.1613518 0.3140767 0.2560254), wk = 0.0028090 k( 138) = ( 0.1546288 0.3009901 0.2560254), wk = 0.0028090 k( 139) = ( 0.1479058 0.2879036 0.2560254), wk = 0.0028090 k( 140) = ( 0.1411828 0.2748171 0.2560254), wk = 0.0028090 k( 141) = ( 0.1344598 0.2617305 0.2560254), wk = 0.0028090 k( 142) = ( 0.1277368 0.2486440 0.2560254), wk = 0.0028090 k( 143) = ( 0.1210139 0.2355575 0.2560254), wk = 0.0028090 k( 144) = ( 0.1142909 0.2224710 0.2560254), wk = 0.0028090 k( 145) = ( 0.1075679 0.2093844 0.2560254), wk = 0.0028090 k( 146) = ( 0.1008449 0.1962979 0.2560254), wk = 0.0028090 k( 147) = ( 0.0941219 0.1832114 0.2560254), wk = 0.0028090 k( 148) = ( 0.0873989 0.1701249 0.2560254), wk = 0.0028090 k( 149) = ( 0.0806759 0.1570383 0.2560254), wk = 0.0028090 k( 150) = ( 0.0739529 0.1439518 0.2560254), wk = 0.0028090 k( 151) = ( 0.0672299 0.1308653 0.2560254), wk = 0.0028090 k( 152) = ( 0.0605069 0.1177787 0.2560254), wk = 0.0028090 k( 153) = ( 0.0537839 0.1046922 0.2560254), wk = 0.0028090 k( 154) = ( 0.0470609 0.0916057 0.2560254), wk = 0.0028090 k( 155) = ( 0.0403379 0.0785192 0.2560254), wk = 0.0028090 k( 156) = ( 0.0336150 0.0654326 0.2560254), wk = 0.0028090 k( 157) = ( 0.0268920 0.0523461 0.2560254), wk = 0.0028090 k( 158) = ( 0.0201690 0.0392596 0.2560254), wk = 0.0028090 k( 159) = ( 0.0134460 0.0261730 0.2560254), wk = 0.0028090 k( 160) = ( 0.0067230 0.0130865 0.2560254), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.2560254), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.2560254), wk = 0.0028090 k( 163) = ( 0.0000000 0.0000000 0.2418018), wk = 0.0028090 k( 164) = ( 0.0000000 0.0000000 0.2275782), wk = 0.0028090 k( 165) = ( 0.0000000 0.0000000 0.2133545), wk = 0.0028090 k( 166) = ( 0.0000000 0.0000000 0.1991309), wk = 0.0028090 k( 167) = ( 0.0000000 0.0000000 0.1849073), wk = 0.0028090 k( 168) = ( 0.0000000 0.0000000 0.1706836), wk = 0.0028090 k( 169) = ( 0.0000000 0.0000000 0.1564600), wk = 0.0028090 k( 170) = ( 0.0000000 0.0000000 0.1422364), wk = 0.0028090 k( 171) = ( 0.0000000 0.0000000 0.1280127), wk = 0.0028090 k( 172) = ( 0.0000000 0.0000000 0.1137891), wk = 0.0028090 k( 173) = ( 0.0000000 0.0000000 0.0995654), wk = 0.0028090 k( 174) = ( 0.0000000 0.0000000 0.0853418), wk = 0.0028090 k( 175) = ( 0.0000000 0.0000000 0.0711182), wk = 0.0028090 k( 176) = ( 0.0000000 0.0000000 0.0568945), wk = 0.0028090 k( 177) = ( 0.0000000 0.0000000 0.0426709), wk = 0.0028090 k( 178) = ( 0.0000000 0.0000000 0.0284473), wk = 0.0028090 k( 179) = ( 0.0000000 0.0000000 0.0142236), wk = 0.0028090 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 182) = ( -0.0128205 0.0065863 0.0000000), wk = 0.0028090 k( 183) = ( -0.0256410 0.0131727 0.0000000), wk = 0.0028090 k( 184) = ( -0.0384615 0.0197590 0.0000000), wk = 0.0028090 k( 185) = ( -0.0512821 0.0263453 0.0000000), wk = 0.0028090 k( 186) = ( -0.0641026 0.0329317 0.0000000), wk = 0.0028090 k( 187) = ( -0.0769231 0.0395180 0.0000000), wk = 0.0028090 k( 188) = ( -0.0897436 0.0461043 0.0000000), wk = 0.0028090 k( 189) = ( -0.1025641 0.0526906 0.0000000), wk = 0.0028090 k( 190) = ( -0.1153846 0.0592770 0.0000000), wk = 0.0028090 k( 191) = ( -0.1282051 0.0658633 0.0000000), wk = 0.0028090 k( 192) = ( -0.1410256 0.0724496 0.0000000), wk = 0.0028090 k( 193) = ( -0.1538461 0.0790360 0.0000000), wk = 0.0028090 k( 194) = ( -0.1666667 0.0856223 0.0000000), wk = 0.0028090 k( 195) = ( -0.1794872 0.0922086 0.0000000), wk = 0.0028090 k( 196) = ( -0.1923077 0.0987950 0.0000000), wk = 0.0028090 k( 197) = ( -0.2051282 0.1053813 0.0000000), wk = 0.0028090 k( 198) = ( -0.2179487 0.1119676 0.0000000), wk = 0.0028090 k( 199) = ( -0.2307692 0.1185540 0.0000000), wk = 0.0028090 k( 200) = ( -0.2435897 0.1251403 0.0000000), wk = 0.0028090 k( 201) = ( -0.2564103 0.1317266 0.0000000), wk = 0.0028090 k( 202) = ( -0.2692308 0.1383129 0.0000000), wk = 0.0028090 k( 203) = ( -0.2820513 0.1448993 0.0000000), wk = 0.0028090 k( 204) = ( -0.2948718 0.1514856 0.0000000), wk = 0.0028090 k( 205) = ( -0.3076923 0.1580719 0.0000000), wk = 0.0028090 k( 206) = ( -0.3205128 0.1646583 0.0000000), wk = 0.0028090 k( 207) = ( -0.3333333 0.1712446 0.0000000), wk = 0.0028090 k( 208) = ( -0.3461538 0.1778309 0.0000000), wk = 0.0028090 k( 209) = ( -0.3589744 0.1844173 0.0000000), wk = 0.0028090 k( 210) = ( -0.3717949 0.1910036 0.0000000), wk = 0.0028090 k( 211) = ( -0.3846154 0.1975899 0.0000000), wk = 0.0028090 k( 212) = ( -0.3974359 0.2041763 0.0000000), wk = 0.0028090 k( 213) = ( -0.4102564 0.2107626 0.0000000), wk = 0.0028090 k( 214) = ( -0.4230769 0.2173489 0.0000000), wk = 0.0028090 k( 215) = ( -0.4358974 0.2239353 0.0000000), wk = 0.0028090 k( 216) = ( -0.4487179 0.2305216 0.0000000), wk = 0.0028090 k( 217) = ( -0.4615385 0.2371079 0.0000000), wk = 0.0028090 k( 218) = ( -0.4743590 0.2436942 0.0000000), wk = 0.0028090 k( 219) = ( -0.4871795 0.2502806 0.0000000), wk = 0.0028090 k( 220) = ( -0.5000000 0.2568669 0.0000000), wk = 0.0028090 k( 221) = ( -0.5000000 0.2568669 0.0000000), wk = 0.0028090 k( 222) = ( -0.4934279 0.2696598 -0.0000000), wk = 0.0028090 k( 223) = ( -0.4868558 0.2824526 -0.0000000), wk = 0.0028090 k( 224) = ( -0.4802836 0.2952455 -0.0000000), wk = 0.0028090 k( 225) = ( -0.4737115 0.3080383 -0.0000000), wk = 0.0028090 k( 226) = ( -0.4671394 0.3208312 -0.0000000), wk = 0.0028090 k( 227) = ( -0.4605673 0.3336240 -0.0000000), wk = 0.0028090 k( 228) = ( -0.4539952 0.3464169 -0.0000000), wk = 0.0028090 k( 229) = ( -0.4474230 0.3592097 -0.0000000), wk = 0.0028090 k( 230) = ( -0.4408509 0.3720026 -0.0000000), wk = 0.0028090 k( 231) = ( -0.4342788 0.3847954 -0.0000000), wk = 0.0028090 k( 232) = ( -0.4277067 0.3975883 -0.0000000), wk = 0.0028090 k( 233) = ( -0.4211345 0.4103811 -0.0000000), wk = 0.0028090 k( 234) = ( -0.4145624 0.4231740 -0.0000000), wk = 0.0028090 k( 235) = ( -0.4079903 0.4359669 -0.0000000), wk = 0.0028090 k( 236) = ( -0.4014182 0.4487597 -0.0000000), wk = 0.0028090 k( 237) = ( -0.3948461 0.4615526 -0.0000000), wk = 0.0028090 k( 238) = ( -0.3882739 0.4743454 -0.0000000), wk = 0.0028090 k( 239) = ( -0.3817018 0.4871383 -0.0000000), wk = 0.0028090 k( 240) = ( -0.3751297 0.4999311 -0.0000000), wk = 0.0028090 k( 241) = ( -0.3685576 0.5127240 -0.0000000), wk = 0.0028090 k( 242) = ( -0.3619854 0.5255168 -0.0000000), wk = 0.0028090 k( 243) = ( -0.3554133 0.5383097 -0.0000000), wk = 0.0028090 k( 244) = ( -0.3488412 0.5511025 -0.0000000), wk = 0.0028090 k( 245) = ( -0.3422691 0.5638954 -0.0000000), wk = 0.0028090 k( 246) = ( -0.3356970 0.5766882 -0.0000000), wk = 0.0028090 k( 247) = ( -0.3291249 0.5894811 -0.0000000), wk = 0.0028090 k( 248) = ( -0.3225527 0.6022739 -0.0000000), wk = 0.0028090 k( 249) = ( -0.3159806 0.6150668 -0.0000000), wk = 0.0028090 k( 250) = ( -0.3159806 0.6150668 -0.0000000), wk = 0.0028090 k( 251) = ( -0.3159806 0.6150668 0.0142236), wk = 0.0028090 k( 252) = ( -0.3159806 0.6150668 0.0284473), wk = 0.0028090 k( 253) = ( -0.3159806 0.6150668 0.0426709), wk = 0.0028090 k( 254) = ( -0.3159806 0.6150668 0.0568945), wk = 0.0028090 k( 255) = ( -0.3159806 0.6150668 0.0711182), wk = 0.0028090 k( 256) = ( -0.3159806 0.6150668 0.0853418), wk = 0.0028090 k( 257) = ( -0.3159806 0.6150668 0.0995654), wk = 0.0028090 k( 258) = ( -0.3159806 0.6150668 0.1137891), wk = 0.0028090 k( 259) = ( -0.3159806 0.6150668 0.1280127), wk = 0.0028090 k( 260) = ( -0.3159806 0.6150668 0.1422364), wk = 0.0028090 k( 261) = ( -0.3159806 0.6150668 0.1564600), wk = 0.0028090 k( 262) = ( -0.3159806 0.6150668 0.1706836), wk = 0.0028090 k( 263) = ( -0.3159806 0.6150668 0.1849073), wk = 0.0028090 k( 264) = ( -0.3159806 0.6150668 0.1991309), wk = 0.0028090 k( 265) = ( -0.3159806 0.6150668 0.2133545), wk = 0.0028090 k( 266) = ( -0.3159806 0.6150668 0.2275782), wk = 0.0028090 k( 267) = ( -0.3159806 0.6150668 0.2418018), wk = 0.0028090 k( 268) = ( -0.3159806 0.6150668 0.2560254), wk = 0.0028090 k( 269) = ( -0.3159806 0.6150668 0.2560254), wk = 0.0028090 k( 270) = ( -0.3225527 0.6022739 0.2560254), wk = 0.0028090 k( 271) = ( -0.3291249 0.5894811 0.2560254), wk = 0.0028090 k( 272) = ( -0.3356970 0.5766882 0.2560254), wk = 0.0028090 k( 273) = ( -0.3422691 0.5638954 0.2560254), wk = 0.0028090 k( 274) = ( -0.3488412 0.5511025 0.2560254), wk = 0.0028090 k( 275) = ( -0.3554133 0.5383097 0.2560254), wk = 0.0028090 k( 276) = ( -0.3619854 0.5255168 0.2560254), wk = 0.0028090 k( 277) = ( -0.3685576 0.5127240 0.2560254), wk = 0.0028090 k( 278) = ( -0.3751297 0.4999311 0.2560254), wk = 0.0028090 k( 279) = ( -0.3817018 0.4871383 0.2560254), wk = 0.0028090 k( 280) = ( -0.3882739 0.4743454 0.2560254), wk = 0.0028090 k( 281) = ( -0.3948461 0.4615526 0.2560254), wk = 0.0028090 k( 282) = ( -0.4014182 0.4487597 0.2560254), wk = 0.0028090 k( 283) = ( -0.4079903 0.4359669 0.2560254), wk = 0.0028090 k( 284) = ( -0.4145624 0.4231740 0.2560254), wk = 0.0028090 k( 285) = ( -0.4211345 0.4103811 0.2560254), wk = 0.0028090 k( 286) = ( -0.4277067 0.3975883 0.2560254), wk = 0.0028090 k( 287) = ( -0.4342788 0.3847954 0.2560254), wk = 0.0028090 k( 288) = ( -0.4408509 0.3720026 0.2560254), wk = 0.0028090 k( 289) = ( -0.4474230 0.3592097 0.2560254), wk = 0.0028090 k( 290) = ( -0.4539952 0.3464169 0.2560254), wk = 0.0028090 k( 291) = ( -0.4605673 0.3336240 0.2560254), wk = 0.0028090 k( 292) = ( -0.4671394 0.3208312 0.2560254), wk = 0.0028090 k( 293) = ( -0.4737115 0.3080383 0.2560254), wk = 0.0028090 k( 294) = ( -0.4802836 0.2952455 0.2560254), wk = 0.0028090 k( 295) = ( -0.4868558 0.2824526 0.2560254), wk = 0.0028090 k( 296) = ( -0.4934279 0.2696598 0.2560254), wk = 0.0028090 k( 297) = ( -0.5000000 0.2568669 0.2560254), wk = 0.0028090 k( 298) = ( -0.5000000 0.2568669 0.2560254), wk = 0.0028090 k( 299) = ( -0.5000000 0.2568669 0.2418018), wk = 0.0028090 k( 300) = ( -0.5000000 0.2568669 0.2275782), wk = 0.0028090 k( 301) = ( -0.5000000 0.2568669 0.2133545), wk = 0.0028090 k( 302) = ( -0.5000000 0.2568669 0.1991309), wk = 0.0028090 k( 303) = ( -0.5000000 0.2568669 0.1849073), wk = 0.0028090 k( 304) = ( -0.5000000 0.2568669 0.1706836), wk = 0.0028090 k( 305) = ( -0.5000000 0.2568669 0.1564600), wk = 0.0028090 k( 306) = ( -0.5000000 0.2568669 0.1422364), wk = 0.0028090 k( 307) = ( -0.5000000 0.2568669 0.1280127), wk = 0.0028090 k( 308) = ( -0.5000000 0.2568669 0.1137891), wk = 0.0028090 k( 309) = ( -0.5000000 0.2568669 0.0995654), wk = 0.0028090 k( 310) = ( -0.5000000 0.2568669 0.0853418), wk = 0.0028090 k( 311) = ( -0.5000000 0.2568669 0.0711182), wk = 0.0028090 k( 312) = ( -0.5000000 0.2568669 0.0568945), wk = 0.0028090 k( 313) = ( -0.5000000 0.2568669 0.0426709), wk = 0.0028090 k( 314) = ( -0.5000000 0.2568669 0.0284473), wk = 0.0028090 k( 315) = ( -0.5000000 0.2568669 0.0142236), wk = 0.0028090 k( 316) = ( -0.5000000 0.2568669 0.0000000), wk = 0.0028090 k( 317) = ( 0.0000000 0.0000000 0.2560254), wk = 0.0028090 k( 318) = ( -0.0128205 0.0065863 0.2560254), wk = 0.0028090 k( 319) = ( -0.0256410 0.0131727 0.2560254), wk = 0.0028090 k( 320) = ( -0.0384615 0.0197590 0.2560254), wk = 0.0028090 k( 321) = ( -0.0512821 0.0263453 0.2560254), wk = 0.0028090 k( 322) = ( -0.0641026 0.0329317 0.2560254), wk = 0.0028090 k( 323) = ( -0.0769231 0.0395180 0.2560254), wk = 0.0028090 k( 324) = ( -0.0897436 0.0461043 0.2560254), wk = 0.0028090 k( 325) = ( -0.1025641 0.0526906 0.2560254), wk = 0.0028090 k( 326) = ( -0.1153846 0.0592770 0.2560254), wk = 0.0028090 k( 327) = ( -0.1282051 0.0658633 0.2560254), wk = 0.0028090 k( 328) = ( -0.1410256 0.0724496 0.2560254), wk = 0.0028090 k( 329) = ( -0.1538461 0.0790360 0.2560254), wk = 0.0028090 k( 330) = ( -0.1666667 0.0856223 0.2560254), wk = 0.0028090 k( 331) = ( -0.1794872 0.0922086 0.2560254), wk = 0.0028090 k( 332) = ( -0.1923077 0.0987950 0.2560254), wk = 0.0028090 k( 333) = ( -0.2051282 0.1053813 0.2560254), wk = 0.0028090 k( 334) = ( -0.2179487 0.1119676 0.2560254), wk = 0.0028090 k( 335) = ( -0.2307692 0.1185540 0.2560254), wk = 0.0028090 k( 336) = ( -0.2435897 0.1251403 0.2560254), wk = 0.0028090 k( 337) = ( -0.2564103 0.1317266 0.2560254), wk = 0.0028090 k( 338) = ( -0.2692308 0.1383129 0.2560254), wk = 0.0028090 k( 339) = ( -0.2820513 0.1448993 0.2560254), wk = 0.0028090 k( 340) = ( -0.2948718 0.1514856 0.2560254), wk = 0.0028090 k( 341) = ( -0.3076923 0.1580719 0.2560254), wk = 0.0028090 k( 342) = ( -0.3205128 0.1646583 0.2560254), wk = 0.0028090 k( 343) = ( -0.3333333 0.1712446 0.2560254), wk = 0.0028090 k( 344) = ( -0.3461538 0.1778309 0.2560254), wk = 0.0028090 k( 345) = ( -0.3589744 0.1844173 0.2560254), wk = 0.0028090 k( 346) = ( -0.3717949 0.1910036 0.2560254), wk = 0.0028090 k( 347) = ( -0.3846154 0.1975899 0.2560254), wk = 0.0028090 k( 348) = ( -0.3974359 0.2041763 0.2560254), wk = 0.0028090 k( 349) = ( -0.4102564 0.2107626 0.2560254), wk = 0.0028090 k( 350) = ( -0.4230769 0.2173489 0.2560254), wk = 0.0028090 k( 351) = ( -0.4358974 0.2239353 0.2560254), wk = 0.0028090 k( 352) = ( -0.4487179 0.2305216 0.2560254), wk = 0.0028090 k( 353) = ( -0.4615385 0.2371079 0.2560254), wk = 0.0028090 k( 354) = ( -0.4743590 0.2436942 0.2560254), wk = 0.0028090 k( 355) = ( -0.4871795 0.2502806 0.2560254), wk = 0.0028090 k( 356) = ( -0.5000000 0.2568669 0.2560254), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0067230 0.0067230 0.0000000), wk = 0.0028090 k( 3) = ( 0.0134460 0.0134460 0.0000000), wk = 0.0028090 k( 4) = ( 0.0201690 0.0201690 -0.0000000), wk = 0.0028090 k( 5) = ( 0.0268920 0.0268920 0.0000000), wk = 0.0028090 k( 6) = ( 0.0336150 0.0336150 -0.0000000), wk = 0.0028090 k( 7) = ( 0.0403379 0.0403379 -0.0000000), wk = 0.0028090 k( 8) = ( 0.0470609 0.0470609 -0.0000000), wk = 0.0028090 k( 9) = ( 0.0537839 0.0537839 0.0000000), wk = 0.0028090 k( 10) = ( 0.0605069 0.0605069 0.0000000), wk = 0.0028090 k( 11) = ( 0.0672299 0.0672299 -0.0000000), wk = 0.0028090 k( 12) = ( 0.0739529 0.0739529 0.0000000), wk = 0.0028090 k( 13) = ( 0.0806759 0.0806759 -0.0000000), wk = 0.0028090 k( 14) = ( 0.0873989 0.0873989 -0.0000000), wk = 0.0028090 k( 15) = ( 0.0941219 0.0941219 -0.0000000), wk = 0.0028090 k( 16) = ( 0.1008449 0.1008449 -0.0000000), wk = 0.0028090 k( 17) = ( 0.1075679 0.1075679 -0.0000000), wk = 0.0028090 k( 18) = ( 0.1142909 0.1142909 -0.0000000), wk = 0.0028090 k( 19) = ( 0.1210139 0.1210139 0.0000000), wk = 0.0028090 k( 20) = ( 0.1277368 0.1277368 -0.0000000), wk = 0.0028090 k( 21) = ( 0.1344598 0.1344598 0.0000000), wk = 0.0028090 k( 22) = ( 0.1411828 0.1411828 -0.0000000), wk = 0.0028090 k( 23) = ( 0.1479058 0.1479058 0.0000000), wk = 0.0028090 k( 24) = ( 0.1546288 0.1546288 -0.0000000), wk = 0.0028090 k( 25) = ( 0.1613518 0.1613518 -0.0000000), wk = 0.0028090 k( 26) = ( 0.1680748 0.1680748 -0.0000000), wk = 0.0028090 k( 27) = ( 0.1747978 0.1747978 -0.0000000), wk = 0.0028090 k( 28) = ( 0.1815208 0.1815208 -0.0000000), wk = 0.0028090 k( 29) = ( 0.1882438 0.1882438 -0.0000000), wk = 0.0028090 k( 30) = ( 0.1949668 0.1949668 -0.0000000), wk = 0.0028090 k( 31) = ( 0.2016898 0.2016898 0.0000000), wk = 0.0028090 k( 32) = ( 0.2084127 0.2084127 -0.0000000), wk = 0.0028090 k( 33) = ( 0.2151357 0.2151357 0.0000000), wk = 0.0028090 k( 34) = ( 0.2218587 0.2218587 -0.0000000), wk = 0.0028090 k( 35) = ( 0.2285817 0.2285817 0.0000000), wk = 0.0028090 k( 36) = ( 0.2353047 0.2353047 0.0000000), wk = 0.0028090 k( 37) = ( 0.2420277 0.2420277 0.0000000), wk = 0.0028090 k( 38) = ( 0.2487507 0.2487507 -0.0000000), wk = 0.0028090 k( 39) = ( 0.2554737 0.2554737 -0.0000000), wk = 0.0028090 k( 40) = ( 0.2621967 0.2621967 0.0000000), wk = 0.0028090 k( 41) = ( 0.2689197 0.2689197 0.0000000), wk = 0.0028090 k( 42) = ( 0.2756427 0.2756427 -0.0000000), wk = 0.0028090 k( 43) = ( 0.2823657 0.2823657 0.0000000), wk = 0.0028090 k( 44) = ( 0.2890886 0.2890886 -0.0000000), wk = 0.0028090 k( 45) = ( 0.2958116 0.2958116 -0.0000000), wk = 0.0028090 k( 46) = ( 0.3025346 0.3025346 0.0000000), wk = 0.0028090 k( 47) = ( 0.3092576 0.3092576 -0.0000000), wk = 0.0028090 k( 48) = ( 0.3159806 0.3159806 -0.0000000), wk = 0.0028090 k( 49) = ( 0.3159806 0.3159806 -0.0000000), wk = 0.0028090 k( 50) = ( 0.3016179 0.3243451 -0.0000000), wk = 0.0028090 k( 51) = ( 0.2872551 0.3327096 -0.0000000), wk = 0.0028090 k( 52) = ( 0.2728923 0.3410742 -0.0000000), wk = 0.0028090 k( 53) = ( 0.2585296 0.3494387 0.0000000), wk = 0.0028090 k( 54) = ( 0.2441668 0.3578032 0.0000000), wk = 0.0028090 k( 55) = ( 0.2298041 0.3661677 0.0000000), wk = 0.0028090 k( 56) = ( 0.2154413 0.3745322 0.0000000), wk = 0.0028090 k( 57) = ( 0.2010786 0.3828968 -0.0000000), wk = 0.0028090 k( 58) = ( 0.1867158 0.3912613 -0.0000000), wk = 0.0028090 k( 59) = ( 0.1723531 0.3996258 -0.0000000), wk = 0.0028090 k( 60) = ( 0.1579903 0.4079903 -0.0000000), wk = 0.0028090 k( 61) = ( 0.1436275 0.4163548 0.0000000), wk = 0.0028090 k( 62) = ( 0.1292648 0.4247193 0.0000000), wk = 0.0028090 k( 63) = ( 0.1149020 0.4330839 0.0000000), wk = 0.0028090 k( 64) = ( 0.1005393 0.4414484 0.0000000), wk = 0.0028090 k( 65) = ( 0.0861765 0.4498129 0.0000000), wk = 0.0028090 k( 66) = ( 0.0718138 0.4581774 0.0000000), wk = 0.0028090 k( 67) = ( 0.0574510 0.4665419 0.0000000), wk = 0.0028090 k( 68) = ( 0.0430883 0.4749065 0.0000000), wk = 0.0028090 k( 69) = ( 0.0287255 0.4832710 0.0000000), wk = 0.0028090 k( 70) = ( 0.0143628 0.4916355 0.0000000), wk = 0.0028090 k( 71) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 72) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 73) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0028090 k( 74) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0028090 k( 75) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0028090 k( 76) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0028090 k( 77) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0028090 k( 78) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028090 k( 79) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0028090 k( 80) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0028090 k( 81) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028090 k( 82) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0028090 k( 83) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0028090 k( 84) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028090 k( 85) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0028090 k( 86) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0028090 k( 87) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0028090 k( 88) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0028090 k( 89) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0028090 k( 90) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 91) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 92) = ( 0.0143628 0.4916355 0.5000000), wk = 0.0028090 k( 93) = ( 0.0287255 0.4832710 0.5000000), wk = 0.0028090 k( 94) = ( 0.0430883 0.4749065 0.5000000), wk = 0.0028090 k( 95) = ( 0.0574510 0.4665419 0.5000000), wk = 0.0028090 k( 96) = ( 0.0718138 0.4581774 0.5000000), wk = 0.0028090 k( 97) = ( 0.0861765 0.4498129 0.5000000), wk = 0.0028090 k( 98) = ( 0.1005393 0.4414484 0.5000000), wk = 0.0028090 k( 99) = ( 0.1149020 0.4330839 0.5000000), wk = 0.0028090 k( 100) = ( 0.1292648 0.4247193 0.5000000), wk = 0.0028090 k( 101) = ( 0.1436275 0.4163548 0.5000000), wk = 0.0028090 k( 102) = ( 0.1579903 0.4079903 0.5000000), wk = 0.0028090 k( 103) = ( 0.1723531 0.3996258 0.5000000), wk = 0.0028090 k( 104) = ( 0.1867158 0.3912613 0.5000000), wk = 0.0028090 k( 105) = ( 0.2010786 0.3828968 0.5000000), wk = 0.0028090 k( 106) = ( 0.2154413 0.3745322 0.5000000), wk = 0.0028090 k( 107) = ( 0.2298041 0.3661677 0.5000000), wk = 0.0028090 k( 108) = ( 0.2441668 0.3578032 0.5000000), wk = 0.0028090 k( 109) = ( 0.2585296 0.3494387 0.5000000), wk = 0.0028090 k( 110) = ( 0.2728923 0.3410742 0.5000000), wk = 0.0028090 k( 111) = ( 0.2872551 0.3327096 0.5000000), wk = 0.0028090 k( 112) = ( 0.3016179 0.3243451 0.5000000), wk = 0.0028090 k( 113) = ( 0.3159806 0.3159806 0.5000000), wk = 0.0028090 k( 114) = ( 0.3159806 0.3159806 0.5000000), wk = 0.0028090 k( 115) = ( 0.3092576 0.3092576 0.5000000), wk = 0.0028090 k( 116) = ( 0.3025346 0.3025346 0.5000000), wk = 0.0028090 k( 117) = ( 0.2958116 0.2958116 0.5000000), wk = 0.0028090 k( 118) = ( 0.2890886 0.2890886 0.5000000), wk = 0.0028090 k( 119) = ( 0.2823657 0.2823657 0.5000000), wk = 0.0028090 k( 120) = ( 0.2756427 0.2756427 0.5000000), wk = 0.0028090 k( 121) = ( 0.2689197 0.2689197 0.5000000), wk = 0.0028090 k( 122) = ( 0.2621967 0.2621967 0.5000000), wk = 0.0028090 k( 123) = ( 0.2554737 0.2554737 0.5000000), wk = 0.0028090 k( 124) = ( 0.2487507 0.2487507 0.5000000), wk = 0.0028090 k( 125) = ( 0.2420277 0.2420277 0.5000000), wk = 0.0028090 k( 126) = ( 0.2353047 0.2353047 0.5000000), wk = 0.0028090 k( 127) = ( 0.2285817 0.2285817 0.5000000), wk = 0.0028090 k( 128) = ( 0.2218587 0.2218587 0.5000000), wk = 0.0028090 k( 129) = ( 0.2151357 0.2151357 0.5000000), wk = 0.0028090 k( 130) = ( 0.2084127 0.2084127 0.5000000), wk = 0.0028090 k( 131) = ( 0.2016898 0.2016898 0.5000000), wk = 0.0028090 k( 132) = ( 0.1949668 0.1949668 0.5000000), wk = 0.0028090 k( 133) = ( 0.1882438 0.1882438 0.5000000), wk = 0.0028090 k( 134) = ( 0.1815208 0.1815208 0.5000000), wk = 0.0028090 k( 135) = ( 0.1747978 0.1747978 0.5000000), wk = 0.0028090 k( 136) = ( 0.1680748 0.1680748 0.5000000), wk = 0.0028090 k( 137) = ( 0.1613518 0.1613518 0.5000000), wk = 0.0028090 k( 138) = ( 0.1546288 0.1546288 0.5000000), wk = 0.0028090 k( 139) = ( 0.1479058 0.1479058 0.5000000), wk = 0.0028090 k( 140) = ( 0.1411828 0.1411828 0.5000000), wk = 0.0028090 k( 141) = ( 0.1344598 0.1344598 0.5000000), wk = 0.0028090 k( 142) = ( 0.1277368 0.1277368 0.5000000), wk = 0.0028090 k( 143) = ( 0.1210139 0.1210139 0.5000000), wk = 0.0028090 k( 144) = ( 0.1142909 0.1142909 0.5000000), wk = 0.0028090 k( 145) = ( 0.1075679 0.1075679 0.5000000), wk = 0.0028090 k( 146) = ( 0.1008449 0.1008449 0.5000000), wk = 0.0028090 k( 147) = ( 0.0941219 0.0941219 0.5000000), wk = 0.0028090 k( 148) = ( 0.0873989 0.0873989 0.5000000), wk = 0.0028090 k( 149) = ( 0.0806759 0.0806759 0.5000000), wk = 0.0028090 k( 150) = ( 0.0739529 0.0739529 0.5000000), wk = 0.0028090 k( 151) = ( 0.0672299 0.0672299 0.5000000), wk = 0.0028090 k( 152) = ( 0.0605069 0.0605069 0.5000000), wk = 0.0028090 k( 153) = ( 0.0537839 0.0537839 0.5000000), wk = 0.0028090 k( 154) = ( 0.0470609 0.0470609 0.5000000), wk = 0.0028090 k( 155) = ( 0.0403379 0.0403379 0.5000000), wk = 0.0028090 k( 156) = ( 0.0336150 0.0336150 0.5000000), wk = 0.0028090 k( 157) = ( 0.0268920 0.0268920 0.5000000), wk = 0.0028090 k( 158) = ( 0.0201690 0.0201690 0.5000000), wk = 0.0028090 k( 159) = ( 0.0134460 0.0134460 0.5000000), wk = 0.0028090 k( 160) = ( 0.0067230 0.0067230 0.5000000), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 163) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0028090 k( 164) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0028090 k( 165) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028090 k( 166) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0028090 k( 167) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0028090 k( 168) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028090 k( 169) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0028090 k( 170) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0028090 k( 171) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028090 k( 172) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0028090 k( 173) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0028090 k( 174) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028090 k( 175) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0028090 k( 176) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0028090 k( 177) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028090 k( 178) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0028090 k( 179) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0028090 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 182) = ( -0.0128205 0.0128205 0.0000000), wk = 0.0028090 k( 183) = ( -0.0256410 0.0256410 0.0000000), wk = 0.0028090 k( 184) = ( -0.0384615 0.0384615 0.0000000), wk = 0.0028090 k( 185) = ( -0.0512821 0.0512821 0.0000000), wk = 0.0028090 k( 186) = ( -0.0641026 0.0641026 0.0000000), wk = 0.0028090 k( 187) = ( -0.0769231 0.0769231 0.0000000), wk = 0.0028090 k( 188) = ( -0.0897436 0.0897436 0.0000000), wk = 0.0028090 k( 189) = ( -0.1025641 0.1025641 0.0000000), wk = 0.0028090 k( 190) = ( -0.1153846 0.1153846 0.0000000), wk = 0.0028090 k( 191) = ( -0.1282051 0.1282051 0.0000000), wk = 0.0028090 k( 192) = ( -0.1410256 0.1410256 0.0000000), wk = 0.0028090 k( 193) = ( -0.1538461 0.1538462 0.0000000), wk = 0.0028090 k( 194) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0028090 k( 195) = ( -0.1794872 0.1794872 0.0000000), wk = 0.0028090 k( 196) = ( -0.1923077 0.1923077 0.0000000), wk = 0.0028090 k( 197) = ( -0.2051282 0.2051282 0.0000000), wk = 0.0028090 k( 198) = ( -0.2179487 0.2179487 0.0000000), wk = 0.0028090 k( 199) = ( -0.2307692 0.2307692 0.0000000), wk = 0.0028090 k( 200) = ( -0.2435897 0.2435897 0.0000000), wk = 0.0028090 k( 201) = ( -0.2564103 0.2564103 0.0000000), wk = 0.0028090 k( 202) = ( -0.2692308 0.2692308 0.0000000), wk = 0.0028090 k( 203) = ( -0.2820513 0.2820513 0.0000000), wk = 0.0028090 k( 204) = ( -0.2948718 0.2948718 0.0000000), wk = 0.0028090 k( 205) = ( -0.3076923 0.3076923 0.0000000), wk = 0.0028090 k( 206) = ( -0.3205128 0.3205128 0.0000000), wk = 0.0028090 k( 207) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0028090 k( 208) = ( -0.3461538 0.3461539 0.0000000), wk = 0.0028090 k( 209) = ( -0.3589744 0.3589744 0.0000000), wk = 0.0028090 k( 210) = ( -0.3717949 0.3717949 0.0000000), wk = 0.0028090 k( 211) = ( -0.3846154 0.3846154 0.0000000), wk = 0.0028090 k( 212) = ( -0.3974359 0.3974359 0.0000000), wk = 0.0028090 k( 213) = ( -0.4102564 0.4102564 0.0000000), wk = 0.0028090 k( 214) = ( -0.4230769 0.4230769 0.0000000), wk = 0.0028090 k( 215) = ( -0.4358974 0.4358974 0.0000000), wk = 0.0028090 k( 216) = ( -0.4487179 0.4487180 0.0000000), wk = 0.0028090 k( 217) = ( -0.4615385 0.4615385 0.0000000), wk = 0.0028090 k( 218) = ( -0.4743590 0.4743590 0.0000000), wk = 0.0028090 k( 219) = ( -0.4871795 0.4871795 0.0000000), wk = 0.0028090 k( 220) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 221) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 222) = ( -0.4934279 0.5065721 0.0000000), wk = 0.0028090 k( 223) = ( -0.4868558 0.5131442 0.0000000), wk = 0.0028090 k( 224) = ( -0.4802836 0.5197164 0.0000000), wk = 0.0028090 k( 225) = ( -0.4737115 0.5262885 0.0000000), wk = 0.0028090 k( 226) = ( -0.4671394 0.5328606 0.0000000), wk = 0.0028090 k( 227) = ( -0.4605673 0.5394327 0.0000000), wk = 0.0028090 k( 228) = ( -0.4539952 0.5460049 0.0000000), wk = 0.0028090 k( 229) = ( -0.4474230 0.5525770 0.0000000), wk = 0.0028090 k( 230) = ( -0.4408509 0.5591491 0.0000000), wk = 0.0028090 k( 231) = ( -0.4342788 0.5657212 0.0000000), wk = 0.0028090 k( 232) = ( -0.4277067 0.5722933 0.0000000), wk = 0.0028090 k( 233) = ( -0.4211345 0.5788655 0.0000000), wk = 0.0028090 k( 234) = ( -0.4145624 0.5854376 0.0000000), wk = 0.0028090 k( 235) = ( -0.4079903 0.5920097 0.0000000), wk = 0.0028090 k( 236) = ( -0.4014182 0.5985818 0.0000000), wk = 0.0028090 k( 237) = ( -0.3948461 0.6051539 0.0000000), wk = 0.0028090 k( 238) = ( -0.3882739 0.6117261 0.0000000), wk = 0.0028090 k( 239) = ( -0.3817018 0.6182982 0.0000000), wk = 0.0028090 k( 240) = ( -0.3751297 0.6248703 0.0000000), wk = 0.0028090 k( 241) = ( -0.3685576 0.6314424 0.0000000), wk = 0.0028090 k( 242) = ( -0.3619854 0.6380146 0.0000000), wk = 0.0028090 k( 243) = ( -0.3554133 0.6445867 0.0000000), wk = 0.0028090 k( 244) = ( -0.3488412 0.6511588 0.0000000), wk = 0.0028090 k( 245) = ( -0.3422691 0.6577309 0.0000000), wk = 0.0028090 k( 246) = ( -0.3356970 0.6643030 0.0000000), wk = 0.0028090 k( 247) = ( -0.3291249 0.6708752 0.0000000), wk = 0.0028090 k( 248) = ( -0.3225527 0.6774473 0.0000000), wk = 0.0028090 k( 249) = ( -0.3159806 0.6840194 0.0000000), wk = 0.0028090 k( 250) = ( -0.3159806 0.6840194 0.0000000), wk = 0.0028090 k( 251) = ( -0.3159806 0.6840194 0.0277778), wk = 0.0028090 k( 252) = ( -0.3159806 0.6840194 0.0555556), wk = 0.0028090 k( 253) = ( -0.3159806 0.6840194 0.0833333), wk = 0.0028090 k( 254) = ( -0.3159806 0.6840194 0.1111111), wk = 0.0028090 k( 255) = ( -0.3159806 0.6840194 0.1388889), wk = 0.0028090 k( 256) = ( -0.3159806 0.6840194 0.1666667), wk = 0.0028090 k( 257) = ( -0.3159806 0.6840194 0.1944444), wk = 0.0028090 k( 258) = ( -0.3159806 0.6840194 0.2222222), wk = 0.0028090 k( 259) = ( -0.3159806 0.6840194 0.2500000), wk = 0.0028090 k( 260) = ( -0.3159806 0.6840194 0.2777778), wk = 0.0028090 k( 261) = ( -0.3159806 0.6840194 0.3055556), wk = 0.0028090 k( 262) = ( -0.3159806 0.6840194 0.3333333), wk = 0.0028090 k( 263) = ( -0.3159806 0.6840194 0.3611111), wk = 0.0028090 k( 264) = ( -0.3159806 0.6840194 0.3888889), wk = 0.0028090 k( 265) = ( -0.3159806 0.6840194 0.4166667), wk = 0.0028090 k( 266) = ( -0.3159806 0.6840194 0.4444444), wk = 0.0028090 k( 267) = ( -0.3159806 0.6840194 0.4722222), wk = 0.0028090 k( 268) = ( -0.3159806 0.6840194 0.5000000), wk = 0.0028090 k( 269) = ( -0.3159806 0.6840194 0.5000000), wk = 0.0028090 k( 270) = ( -0.3225527 0.6774473 0.5000000), wk = 0.0028090 k( 271) = ( -0.3291249 0.6708752 0.5000000), wk = 0.0028090 k( 272) = ( -0.3356970 0.6643030 0.5000000), wk = 0.0028090 k( 273) = ( -0.3422691 0.6577309 0.5000000), wk = 0.0028090 k( 274) = ( -0.3488412 0.6511588 0.5000000), wk = 0.0028090 k( 275) = ( -0.3554133 0.6445867 0.5000000), wk = 0.0028090 k( 276) = ( -0.3619854 0.6380146 0.5000000), wk = 0.0028090 k( 277) = ( -0.3685576 0.6314424 0.5000000), wk = 0.0028090 k( 278) = ( -0.3751297 0.6248703 0.5000000), wk = 0.0028090 k( 279) = ( -0.3817018 0.6182982 0.5000000), wk = 0.0028090 k( 280) = ( -0.3882739 0.6117261 0.5000000), wk = 0.0028090 k( 281) = ( -0.3948461 0.6051539 0.5000000), wk = 0.0028090 k( 282) = ( -0.4014182 0.5985818 0.5000000), wk = 0.0028090 k( 283) = ( -0.4079903 0.5920097 0.5000000), wk = 0.0028090 k( 284) = ( -0.4145624 0.5854376 0.5000000), wk = 0.0028090 k( 285) = ( -0.4211345 0.5788655 0.5000000), wk = 0.0028090 k( 286) = ( -0.4277067 0.5722933 0.5000000), wk = 0.0028090 k( 287) = ( -0.4342788 0.5657212 0.5000000), wk = 0.0028090 k( 288) = ( -0.4408509 0.5591491 0.5000000), wk = 0.0028090 k( 289) = ( -0.4474230 0.5525770 0.5000000), wk = 0.0028090 k( 290) = ( -0.4539952 0.5460049 0.5000000), wk = 0.0028090 k( 291) = ( -0.4605673 0.5394327 0.5000000), wk = 0.0028090 k( 292) = ( -0.4671394 0.5328606 0.5000000), wk = 0.0028090 k( 293) = ( -0.4737115 0.5262885 0.5000000), wk = 0.0028090 k( 294) = ( -0.4802836 0.5197164 0.5000000), wk = 0.0028090 k( 295) = ( -0.4868558 0.5131442 0.5000000), wk = 0.0028090 k( 296) = ( -0.4934279 0.5065721 0.5000000), wk = 0.0028090 k( 297) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 298) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 299) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0028090 k( 300) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0028090 k( 301) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0028090 k( 302) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0028090 k( 303) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0028090 k( 304) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0028090 k( 305) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0028090 k( 306) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0028090 k( 307) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0028090 k( 308) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0028090 k( 309) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0028090 k( 310) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0028090 k( 311) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0028090 k( 312) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0028090 k( 313) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0028090 k( 314) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0028090 k( 315) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0028090 k( 316) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 317) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 318) = ( -0.0128205 0.0128205 0.5000000), wk = 0.0028090 k( 319) = ( -0.0256410 0.0256410 0.5000000), wk = 0.0028090 k( 320) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0028090 k( 321) = ( -0.0512821 0.0512821 0.5000000), wk = 0.0028090 k( 322) = ( -0.0641026 0.0641026 0.5000000), wk = 0.0028090 k( 323) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0028090 k( 324) = ( -0.0897436 0.0897436 0.5000000), wk = 0.0028090 k( 325) = ( -0.1025641 0.1025641 0.5000000), wk = 0.0028090 k( 326) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0028090 k( 327) = ( -0.1282051 0.1282051 0.5000000), wk = 0.0028090 k( 328) = ( -0.1410256 0.1410256 0.5000000), wk = 0.0028090 k( 329) = ( -0.1538461 0.1538462 0.5000000), wk = 0.0028090 k( 330) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0028090 k( 331) = ( -0.1794872 0.1794872 0.5000000), wk = 0.0028090 k( 332) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0028090 k( 333) = ( -0.2051282 0.2051282 0.5000000), wk = 0.0028090 k( 334) = ( -0.2179487 0.2179487 0.5000000), wk = 0.0028090 k( 335) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0028090 k( 336) = ( -0.2435897 0.2435897 0.5000000), wk = 0.0028090 k( 337) = ( -0.2564103 0.2564103 0.5000000), wk = 0.0028090 k( 338) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0028090 k( 339) = ( -0.2820513 0.2820513 0.5000000), wk = 0.0028090 k( 340) = ( -0.2948718 0.2948718 0.5000000), wk = 0.0028090 k( 341) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0028090 k( 342) = ( -0.3205128 0.3205128 0.5000000), wk = 0.0028090 k( 343) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0028090 k( 344) = ( -0.3461538 0.3461539 0.5000000), wk = 0.0028090 k( 345) = ( -0.3589744 0.3589744 0.5000000), wk = 0.0028090 k( 346) = ( -0.3717949 0.3717949 0.5000000), wk = 0.0028090 k( 347) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0028090 k( 348) = ( -0.3974359 0.3974359 0.5000000), wk = 0.0028090 k( 349) = ( -0.4102564 0.4102564 0.5000000), wk = 0.0028090 k( 350) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0028090 k( 351) = ( -0.4358974 0.4358974 0.5000000), wk = 0.0028090 k( 352) = ( -0.4487179 0.4487180 0.5000000), wk = 0.0028090 k( 353) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0028090 k( 354) = ( -0.4743590 0.4743590 0.5000000), wk = 0.0028090 k( 355) = ( -0.4871795 0.4871795 0.5000000), wk = 0.0028090 k( 356) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028090 Dense grid: 68265 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 50579 G-vectors FFT dimensions: ( 40, 40, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 370, 36) NL pseudopotentials 0.16 Mb ( 185, 56) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1898) G-vector shells 0.01 Mb ( 966) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 370, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.06 Mb ( 56, 2, 36) The potential is recalculated from file : ./Br.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.5 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 4.0 secs Computing kpt #: 11 total cpu time spent up to now is 4.2 secs Computing kpt #: 12 total cpu time spent up to now is 4.5 secs Computing kpt #: 13 total cpu time spent up to now is 4.7 secs Computing kpt #: 14 total cpu time spent up to now is 5.0 secs Computing kpt #: 15 total cpu time spent up to now is 5.2 secs Computing kpt #: 16 total cpu time spent up to now is 5.5 secs Computing kpt #: 17 total cpu time spent up to now is 5.7 secs Computing kpt #: 18 total cpu time spent up to now is 6.0 secs Computing kpt #: 19 total cpu time spent up to now is 6.2 secs Computing kpt #: 20 total cpu time spent up to now is 6.5 secs Computing kpt #: 21 total cpu time spent up to now is 6.8 secs Computing kpt #: 22 total cpu time spent up to now is 7.0 secs Computing kpt #: 23 total cpu time spent up to now is 7.3 secs Computing kpt #: 24 total cpu time spent up to now is 7.6 secs Computing kpt #: 25 total cpu time spent up to now is 7.9 secs Computing kpt #: 26 total cpu time spent up to now is 8.3 secs Computing kpt #: 27 total cpu time spent up to now is 8.8 secs Computing kpt #: 28 total cpu time spent up to now is 9.2 secs Computing kpt #: 29 total cpu time spent up to now is 9.6 secs Computing kpt #: 30 total cpu time spent up to now is 10.0 secs Computing kpt #: 31 total cpu time spent up to now is 10.3 secs Computing kpt #: 32 total cpu time spent up to now is 10.7 secs Computing kpt #: 33 total cpu time spent up to now is 11.0 secs Computing kpt #: 34 total cpu time spent up to now is 11.4 secs Computing kpt #: 35 total cpu time spent up to now is 11.7 secs Computing kpt #: 36 total cpu time spent up to now is 12.0 secs Computing kpt #: 37 total cpu time spent up to now is 12.4 secs Computing kpt #: 38 total cpu time spent up to now is 12.7 secs Computing kpt #: 39 total cpu time spent up to now is 13.1 secs Computing kpt #: 40 total cpu time spent up to now is 13.5 secs Computing kpt #: 41 total cpu time spent up to now is 13.9 secs Computing kpt #: 42 total cpu time spent up to now is 14.2 secs Computing kpt #: 43 total cpu time spent up to now is 14.6 secs Computing kpt #: 44 total cpu time spent up to now is 14.9 secs Computing kpt #: 45 total cpu time spent up to now is 15.3 secs Computing kpt #: 46 total cpu time spent up to now is 15.6 secs Computing kpt #: 47 total cpu time spent up to now is 16.0 secs Computing kpt #: 48 total cpu time spent up to now is 16.3 secs Computing kpt #: 49 total cpu time spent up to now is 16.7 secs Computing kpt #: 50 total cpu time spent up to now is 17.0 secs Computing kpt #: 51 total cpu time spent up to now is 17.4 secs Computing kpt #: 52 total cpu time spent up to now is 17.7 secs Computing kpt #: 53 total cpu time spent up to now is 18.1 secs Computing kpt #: 54 total cpu time spent up to now is 18.4 secs Computing kpt #: 55 total cpu time spent up to now is 18.7 secs Computing kpt #: 56 total cpu time spent up to now is 19.0 secs Computing kpt #: 57 total cpu time spent up to now is 19.4 secs Computing kpt #: 58 total cpu time spent up to now is 19.6 secs Computing kpt #: 59 total cpu time spent up to now is 19.9 secs Computing kpt #: 60 total cpu time spent up to now is 20.2 secs Computing kpt #: 61 total cpu time spent up to now is 20.5 secs Computing kpt #: 62 total cpu time spent up to now is 20.8 secs Computing kpt #: 63 total cpu time spent up to now is 21.1 secs Computing kpt #: 64 total cpu time spent up to now is 21.3 secs Computing kpt #: 65 total cpu time spent up to now is 21.6 secs Computing kpt #: 66 total cpu time spent up to now is 21.9 secs Computing kpt #: 67 total cpu time spent up to now is 22.1 secs Computing kpt #: 68 total cpu time spent up to now is 22.4 secs Computing kpt #: 69 total cpu time spent up to now is 22.7 secs Computing kpt #: 70 total cpu time spent up to now is 22.9 secs Computing kpt #: 71 total cpu time spent up to now is 23.2 secs Computing kpt #: 72 total cpu time spent up to now is 23.5 secs Computing kpt #: 73 total cpu time spent up to now is 23.8 secs Computing kpt #: 74 total cpu time spent up to now is 24.0 secs Computing kpt #: 75 total cpu time spent up to now is 24.3 secs Computing kpt #: 76 total cpu time spent up to now is 24.5 secs Computing kpt #: 77 total cpu time spent up to now is 24.8 secs Computing kpt #: 78 total cpu time spent up to now is 25.1 secs Computing kpt #: 79 total cpu time spent up to now is 25.4 secs Computing kpt #: 80 total cpu time spent up to now is 25.6 secs Computing kpt #: 81 total cpu time spent up to now is 25.9 secs Computing kpt #: 82 total cpu time spent up to now is 26.2 secs Computing kpt #: 83 total cpu time spent up to now is 26.4 secs Computing kpt #: 84 total cpu time spent up to now is 26.7 secs Computing kpt #: 85 total cpu time spent up to now is 27.0 secs Computing kpt #: 86 total cpu time spent up to now is 27.2 secs Computing kpt #: 87 total cpu time spent up to now is 27.5 secs Computing kpt #: 88 total cpu time spent up to now is 27.8 secs Computing kpt #: 89 total cpu time spent up to now is 28.0 secs Computing kpt #: 90 total cpu time spent up to now is 28.3 secs Computing kpt #: 91 total cpu time spent up to now is 28.6 secs Computing kpt #: 92 total cpu time spent up to now is 28.8 secs Computing kpt #: 93 total cpu time spent up to now is 29.1 secs Computing kpt #: 94 total cpu time spent up to now is 29.3 secs Computing kpt #: 95 total cpu time spent up to now is 29.6 secs Computing kpt #: 96 total cpu time spent up to now is 29.9 secs Computing kpt #: 97 total cpu time spent up to now is 30.1 secs Computing kpt #: 98 total cpu time spent up to now is 30.4 secs Computing kpt #: 99 total cpu time spent up to now is 30.7 secs Computing kpt #: 100 total cpu time spent up to now is 31.0 secs Computing kpt #: 101 total cpu time spent up to now is 31.3 secs Computing kpt #: 102 total cpu time spent up to now is 31.5 secs Computing kpt #: 103 total cpu time spent up to now is 31.9 secs Computing kpt #: 104 total cpu time spent up to now is 32.2 secs Computing kpt #: 105 total cpu time spent up to now is 32.5 secs Computing kpt #: 106 total cpu time spent up to now is 32.9 secs Computing kpt #: 107 total cpu time spent up to now is 33.2 secs Computing kpt #: 108 total cpu time spent up to now is 33.5 secs Computing kpt #: 109 total cpu time spent up to now is 33.9 secs Computing kpt #: 110 total cpu time spent up to now is 34.2 secs Computing kpt #: 111 total cpu time spent up to now is 34.5 secs Computing kpt #: 112 total cpu time spent up to now is 34.9 secs Computing kpt #: 113 total cpu time spent up to now is 35.2 secs Computing kpt #: 114 total cpu time spent up to now is 35.5 secs Computing kpt #: 115 total cpu time spent up to now is 35.8 secs Computing kpt #: 116 total cpu time spent up to now is 36.1 secs Computing kpt #: 117 total cpu time spent up to now is 36.5 secs Computing kpt #: 118 total cpu time spent up to now is 36.8 secs Computing kpt #: 119 total cpu time spent up to now is 37.2 secs Computing kpt #: 120 total cpu time spent up to now is 37.5 secs Computing kpt #: 121 total cpu time spent up to now is 37.9 secs Computing kpt #: 122 total cpu time spent up to now is 38.3 secs Computing kpt #: 123 total cpu time spent up to now is 38.7 secs Computing kpt #: 124 total cpu time spent up to now is 39.2 secs Computing kpt #: 125 total cpu time spent up to now is 39.6 secs Computing kpt #: 126 total cpu time spent up to now is 39.9 secs Computing kpt #: 127 total cpu time spent up to now is 40.3 secs Computing kpt #: 128 total cpu time spent up to now is 40.6 secs Computing kpt #: 129 total cpu time spent up to now is 40.9 secs Computing kpt #: 130 total cpu time spent up to now is 41.2 secs Computing kpt #: 131 total cpu time spent up to now is 41.5 secs Computing kpt #: 132 total cpu time spent up to now is 41.8 secs Computing kpt #: 133 total cpu time spent up to now is 42.0 secs Computing kpt #: 134 total cpu time spent up to now is 42.3 secs Computing kpt #: 135 total cpu time spent up to now is 42.6 secs Computing kpt #: 136 total cpu time spent up to now is 42.8 secs Computing kpt #: 137 total cpu time spent up to now is 43.1 secs Computing kpt #: 138 total cpu time spent up to now is 43.4 secs Computing kpt #: 139 total cpu time spent up to now is 43.6 secs Computing kpt #: 140 total cpu time spent up to now is 43.9 secs Computing kpt #: 141 total cpu time spent up to now is 44.1 secs Computing kpt #: 142 total cpu time spent up to now is 44.4 secs Computing kpt #: 143 total cpu time spent up to now is 44.6 secs Computing kpt #: 144 total cpu time spent up to now is 44.9 secs Computing kpt #: 145 total cpu time spent up to now is 45.1 secs Computing kpt #: 146 total cpu time spent up to now is 45.3 secs Computing kpt #: 147 total cpu time spent up to now is 45.6 secs Computing kpt #: 148 total cpu time spent up to now is 45.8 secs Computing kpt #: 149 total cpu time spent up to now is 46.1 secs Computing kpt #: 150 total cpu time spent up to now is 46.3 secs Computing kpt #: 151 total cpu time spent up to now is 46.6 secs Computing kpt #: 152 total cpu time spent up to now is 46.8 secs Computing kpt #: 153 total cpu time spent up to now is 47.1 secs Computing kpt #: 154 total cpu time spent up to now is 47.3 secs Computing kpt #: 155 total cpu time spent up to now is 47.6 secs Computing kpt #: 156 total cpu time spent up to now is 47.8 secs Computing kpt #: 157 total cpu time spent up to now is 48.1 secs Computing kpt #: 158 total cpu time spent up to now is 48.4 secs Computing kpt #: 159 total cpu time spent up to now is 48.6 secs Computing kpt #: 160 total cpu time spent up to now is 48.9 secs Computing kpt #: 161 total cpu time spent up to now is 49.1 secs Computing kpt #: 162 total cpu time spent up to now is 49.4 secs Computing kpt #: 163 total cpu time spent up to now is 49.6 secs Computing kpt #: 164 total cpu time spent up to now is 49.9 secs Computing kpt #: 165 total cpu time spent up to now is 50.1 secs Computing kpt #: 166 total cpu time spent up to now is 50.4 secs Computing kpt #: 167 total cpu time spent up to now is 50.6 secs Computing kpt #: 168 total cpu time spent up to now is 50.9 secs Computing kpt #: 169 total cpu time spent up to now is 51.1 secs Computing kpt #: 170 total cpu time spent up to now is 51.4 secs Computing kpt #: 171 total cpu time spent up to now is 51.6 secs Computing kpt #: 172 total cpu time spent up to now is 51.9 secs Computing kpt #: 173 total cpu time spent up to now is 52.1 secs Computing kpt #: 174 total cpu time spent up to now is 52.4 secs Computing kpt #: 175 total cpu time spent up to now is 52.6 secs Computing kpt #: 176 total cpu time spent up to now is 52.9 secs Computing kpt #: 177 total cpu time spent up to now is 53.1 secs Computing kpt #: 178 total cpu time spent up to now is 53.4 secs Computing kpt #: 179 total cpu time spent up to now is 53.6 secs Computing kpt #: 180 total cpu time spent up to now is 53.9 secs Computing kpt #: 181 total cpu time spent up to now is 54.1 secs Computing kpt #: 182 total cpu time spent up to now is 54.4 secs Computing kpt #: 183 total cpu time spent up to now is 54.6 secs Computing kpt #: 184 total cpu time spent up to now is 54.9 secs Computing kpt #: 185 total cpu time spent up to now is 55.1 secs Computing kpt #: 186 total cpu time spent up to now is 55.4 secs Computing kpt #: 187 total cpu time spent up to now is 55.6 secs Computing kpt #: 188 total cpu time spent up to now is 55.9 secs Computing kpt #: 189 total cpu time spent up to now is 56.1 secs Computing kpt #: 190 total cpu time spent up to now is 56.4 secs Computing kpt #: 191 total cpu time spent up to now is 56.6 secs Computing kpt #: 192 total cpu time spent up to now is 56.9 secs Computing kpt #: 193 total cpu time spent up to now is 57.2 secs Computing kpt #: 194 total cpu time spent up to now is 57.4 secs Computing kpt #: 195 total cpu time spent up to now is 57.7 secs Computing kpt #: 196 total cpu time spent up to now is 58.0 secs Computing kpt #: 197 total cpu time spent up to now is 58.2 secs Computing kpt #: 198 total cpu time spent up to now is 58.5 secs Computing kpt #: 199 total cpu time spent up to now is 58.8 secs Computing kpt #: 200 total cpu time spent up to now is 59.1 secs Computing kpt #: 201 total cpu time spent up to now is 59.4 secs Computing kpt #: 202 total cpu time spent up to now is 59.7 secs Computing kpt #: 203 total cpu time spent up to now is 60.1 secs Computing kpt #: 204 total cpu time spent up to now is 60.5 secs Computing kpt #: 205 total cpu time spent up to now is 61.0 secs Computing kpt #: 206 total cpu time spent up to now is 61.4 secs Computing kpt #: 207 total cpu time spent up to now is 61.9 secs Computing kpt #: 208 total cpu time spent up to now is 62.3 secs Computing kpt #: 209 total cpu time spent up to now is 62.7 secs Computing kpt #: 210 total cpu time spent up to now is 63.1 secs Computing kpt #: 211 total cpu time spent up to now is 63.5 secs Computing kpt #: 212 total cpu time spent up to now is 63.9 secs Computing kpt #: 213 total cpu time spent up to now is 64.2 secs Computing kpt #: 214 total cpu time spent up to now is 64.6 secs Computing kpt #: 215 total cpu time spent up to now is 64.9 secs Computing kpt #: 216 total cpu time spent up to now is 65.3 secs Computing kpt #: 217 total cpu time spent up to now is 65.6 secs Computing kpt #: 218 total cpu time spent up to now is 66.0 secs Computing kpt #: 219 total cpu time spent up to now is 66.3 secs Computing kpt #: 220 total cpu time spent up to now is 66.7 secs Computing kpt #: 221 total cpu time spent up to now is 67.0 secs Computing kpt #: 222 total cpu time spent up to now is 67.4 secs Computing kpt #: 223 total cpu time spent up to now is 67.7 secs Computing kpt #: 224 total cpu time spent up to now is 68.1 secs Computing kpt #: 225 total cpu time spent up to now is 68.4 secs Computing kpt #: 226 total cpu time spent up to now is 68.8 secs Computing kpt #: 227 total cpu time spent up to now is 69.1 secs Computing kpt #: 228 total cpu time spent up to now is 69.5 secs Computing kpt #: 229 total cpu time spent up to now is 69.9 secs Computing kpt #: 230 total cpu time spent up to now is 70.3 secs Computing kpt #: 231 total cpu time spent up to now is 70.8 secs Computing kpt #: 232 total cpu time spent up to now is 71.3 secs Computing kpt #: 233 total cpu time spent up to now is 71.7 secs Computing kpt #: 234 total cpu time spent up to now is 72.0 secs Computing kpt #: 235 total cpu time spent up to now is 72.4 secs Computing kpt #: 236 total cpu time spent up to now is 72.7 secs Computing kpt #: 237 total cpu time spent up to now is 73.1 secs Computing kpt #: 238 total cpu time spent up to now is 73.4 secs Computing kpt #: 239 total cpu time spent up to now is 73.8 secs Computing kpt #: 240 total cpu time spent up to now is 74.1 secs Computing kpt #: 241 total cpu time spent up to now is 74.4 secs Computing kpt #: 242 total cpu time spent up to now is 74.8 secs Computing kpt #: 243 total cpu time spent up to now is 75.2 secs Computing kpt #: 244 total cpu time spent up to now is 75.6 secs Computing kpt #: 245 total cpu time spent up to now is 76.0 secs Computing kpt #: 246 total cpu time spent up to now is 76.3 secs Computing kpt #: 247 total cpu time spent up to now is 76.7 secs Computing kpt #: 248 total cpu time spent up to now is 77.0 secs Computing kpt #: 249 total cpu time spent up to now is 77.4 secs Computing kpt #: 250 total cpu time spent up to now is 77.8 secs Computing kpt #: 251 total cpu time spent up to now is 78.1 secs Computing kpt #: 252 total cpu time spent up to now is 78.5 secs Computing kpt #: 253 total cpu time spent up to now is 78.9 secs Computing kpt #: 254 total cpu time spent up to now is 79.2 secs Computing kpt #: 255 total cpu time spent up to now is 79.6 secs Computing kpt #: 256 total cpu time spent up to now is 79.9 secs Computing kpt #: 257 total cpu time spent up to now is 80.3 secs Computing kpt #: 258 total cpu time spent up to now is 80.7 secs Computing kpt #: 259 total cpu time spent up to now is 81.0 secs Computing kpt #: 260 total cpu time spent up to now is 81.4 secs Computing kpt #: 261 total cpu time spent up to now is 81.8 secs Computing kpt #: 262 total cpu time spent up to now is 82.1 secs Computing kpt #: 263 total cpu time spent up to now is 82.5 secs Computing kpt #: 264 total cpu time spent up to now is 82.9 secs Computing kpt #: 265 total cpu time spent up to now is 83.2 secs Computing kpt #: 266 total cpu time spent up to now is 83.6 secs Computing kpt #: 267 total cpu time spent up to now is 83.9 secs Computing kpt #: 268 total cpu time spent up to now is 84.2 secs Computing kpt #: 269 total cpu time spent up to now is 84.5 secs Computing kpt #: 270 total cpu time spent up to now is 84.9 secs Computing kpt #: 271 total cpu time spent up to now is 85.2 secs Computing kpt #: 272 total cpu time spent up to now is 85.5 secs Computing kpt #: 273 total cpu time spent up to now is 85.8 secs Computing kpt #: 274 total cpu time spent up to now is 86.1 secs Computing kpt #: 275 total cpu time spent up to now is 86.4 secs Computing kpt #: 276 total cpu time spent up to now is 86.7 secs Computing kpt #: 277 total cpu time spent up to now is 87.0 secs Computing kpt #: 278 total cpu time spent up to now is 87.3 secs Computing kpt #: 279 total cpu time spent up to now is 87.7 secs Computing kpt #: 280 total cpu time spent up to now is 88.0 secs Computing kpt #: 281 total cpu time spent up to now is 88.4 secs Computing kpt #: 282 total cpu time spent up to now is 88.8 secs Computing kpt #: 283 total cpu time spent up to now is 89.2 secs Computing kpt #: 284 total cpu time spent up to now is 89.6 secs Computing kpt #: 285 total cpu time spent up to now is 90.0 secs Computing kpt #: 286 total cpu time spent up to now is 90.4 secs Computing kpt #: 287 total cpu time spent up to now is 90.7 secs Computing kpt #: 288 total cpu time spent up to now is 91.1 secs Computing kpt #: 289 total cpu time spent up to now is 91.4 secs Computing kpt #: 290 total cpu time spent up to now is 91.8 secs Computing kpt #: 291 total cpu time spent up to now is 92.1 secs Computing kpt #: 292 total cpu time spent up to now is 92.4 secs Computing kpt #: 293 total cpu time spent up to now is 92.7 secs Computing kpt #: 294 total cpu time spent up to now is 93.1 secs Computing kpt #: 295 total cpu time spent up to now is 93.4 secs Computing kpt #: 296 total cpu time spent up to now is 93.7 secs Computing kpt #: 297 total cpu time spent up to now is 94.0 secs Computing kpt #: 298 total cpu time spent up to now is 94.3 secs Computing kpt #: 299 total cpu time spent up to now is 94.6 secs Computing kpt #: 300 total cpu time spent up to now is 94.9 secs Computing kpt #: 301 total cpu time spent up to now is 95.2 secs Computing kpt #: 302 total cpu time spent up to now is 95.6 secs Computing kpt #: 303 total cpu time spent up to now is 95.9 secs Computing kpt #: 304 total cpu time spent up to now is 96.2 secs Computing kpt #: 305 total cpu time spent up to now is 96.6 secs Computing kpt #: 306 total cpu time spent up to now is 96.9 secs Computing kpt #: 307 total cpu time spent up to now is 97.2 secs Computing kpt #: 308 total cpu time spent up to now is 97.5 secs Computing kpt #: 309 total cpu time spent up to now is 97.8 secs Computing kpt #: 310 total cpu time spent up to now is 98.2 secs Computing kpt #: 311 total cpu time spent up to now is 98.5 secs Computing kpt #: 312 total cpu time spent up to now is 98.8 secs Computing kpt #: 313 total cpu time spent up to now is 99.1 secs Computing kpt #: 314 total cpu time spent up to now is 99.4 secs Computing kpt #: 315 total cpu time spent up to now is 99.8 secs Computing kpt #: 316 total cpu time spent up to now is 100.1 secs Computing kpt #: 317 total cpu time spent up to now is 100.4 secs Computing kpt #: 318 total cpu time spent up to now is 100.6 secs Computing kpt #: 319 total cpu time spent up to now is 100.9 secs Computing kpt #: 320 total cpu time spent up to now is 101.1 secs Computing kpt #: 321 total cpu time spent up to now is 101.4 secs Computing kpt #: 322 total cpu time spent up to now is 101.6 secs Computing kpt #: 323 total cpu time spent up to now is 101.9 secs Computing kpt #: 324 total cpu time spent up to now is 102.2 secs Computing kpt #: 325 total cpu time spent up to now is 102.4 secs Computing kpt #: 326 total cpu time spent up to now is 102.7 secs Computing kpt #: 327 total cpu time spent up to now is 102.9 secs Computing kpt #: 328 total cpu time spent up to now is 103.2 secs Computing kpt #: 329 total cpu time spent up to now is 103.4 secs Computing kpt #: 330 total cpu time spent up to now is 103.7 secs Computing kpt #: 331 total cpu time spent up to now is 104.0 secs Computing kpt #: 332 total cpu time spent up to now is 104.2 secs Computing kpt #: 333 total cpu time spent up to now is 104.5 secs Computing kpt #: 334 total cpu time spent up to now is 104.8 secs Computing kpt #: 335 total cpu time spent up to now is 105.1 secs Computing kpt #: 336 total cpu time spent up to now is 105.3 secs Computing kpt #: 337 total cpu time spent up to now is 105.6 secs Computing kpt #: 338 total cpu time spent up to now is 106.0 secs Computing kpt #: 339 total cpu time spent up to now is 106.3 secs Computing kpt #: 340 total cpu time spent up to now is 107.6 secs Computing kpt #: 341 total cpu time spent up to now is 108.0 secs Computing kpt #: 342 total cpu time spent up to now is 108.3 secs Computing kpt #: 343 total cpu time spent up to now is 108.7 secs Computing kpt #: 344 total cpu time spent up to now is 109.0 secs Computing kpt #: 345 total cpu time spent up to now is 109.3 secs Computing kpt #: 346 total cpu time spent up to now is 109.7 secs Computing kpt #: 347 total cpu time spent up to now is 110.0 secs Computing kpt #: 348 total cpu time spent up to now is 110.3 secs Computing kpt #: 349 total cpu time spent up to now is 110.7 secs Computing kpt #: 350 total cpu time spent up to now is 111.0 secs Computing kpt #: 351 total cpu time spent up to now is 111.3 secs Computing kpt #: 352 total cpu time spent up to now is 111.6 secs Computing kpt #: 353 total cpu time spent up to now is 112.0 secs Computing kpt #: 354 total cpu time spent up to now is 112.2 secs Computing kpt #: 355 total cpu time spent up to now is 112.6 secs Computing kpt #: 356 total cpu time spent up to now is 112.9 secs ethr = 3.57E-08, avg # of iterations = 21.4 total cpu time spent up to now is 112.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6295 PWs) bands (ev): -15.2116 -15.2116 -14.7714 -14.7714 -12.9353 -12.9353 -12.0545 -12.0545 -4.5714 -4.5714 -3.1348 -3.1348 -1.8586 -1.8586 -1.8062 -1.8062 -1.3757 -1.3757 -1.2350 -1.2350 -0.6949 -0.6949 -0.1835 -0.1835 0.2754 0.2754 0.5229 0.5229 1.7076 1.7076 2.9342 2.9342 5.8452 5.8452 6.7524 6.7524 k = 0.0067 0.0131-0.0000 ( 6303 PWs) bands (ev): -15.2112 -15.2112 -14.7714 -14.7714 -12.9350 -12.9350 -12.0549 -12.0549 -4.5713 -4.5713 -3.1365 -3.1365 -1.8591 -1.8591 -1.8078 -1.8078 -1.3777 -1.3777 -1.2366 -1.2366 -0.6926 -0.6926 -0.1830 -0.1830 0.2760 0.2760 0.5223 0.5223 1.7081 1.7081 2.9334 2.9334 5.8478 5.8478 6.7556 6.7556 k = 0.0134 0.0262-0.0000 ( 6313 PWs) bands (ev): -15.2101 -15.2101 -14.7713 -14.7713 -12.9339 -12.9339 -12.0562 -12.0562 -4.5708 -4.5708 -3.1416 -3.1416 -1.8609 -1.8609 -1.8124 -1.8124 -1.3836 -1.3836 -1.2411 -1.2411 -0.6857 -0.6857 -0.1816 -0.1816 0.2777 0.2777 0.5203 0.5203 1.7097 1.7097 2.9308 2.9308 5.8555 5.8555 6.7653 6.7653 k = 0.0202 0.0393-0.0000 ( 6317 PWs) bands (ev): -15.2083 -15.2083 -14.7712 -14.7712 -12.9321 -12.9321 -12.0584 -12.0584 -4.5702 -4.5702 -3.1501 -3.1501 -1.8646 -1.8646 -1.8190 -1.8190 -1.3934 -1.3934 -1.2481 -1.2481 -0.6748 -0.6748 -0.1793 -0.1793 0.2802 0.2802 0.5170 0.5170 1.7127 1.7127 2.9267 2.9267 5.8684 5.8684 6.7813 6.7813 k = 0.0269 0.0523-0.0000 ( 6317 PWs) bands (ev): -15.2057 -15.2057 -14.7711 -14.7711 -12.9296 -12.9296 -12.0614 -12.0614 -4.5692 -4.5692 -3.1619 -3.1619 -1.8717 -1.8717 -1.8260 -1.8260 -1.4068 -1.4068 -1.2572 -1.2572 -0.6606 -0.6606 -0.1762 -0.1762 0.2828 0.2828 0.5123 0.5123 1.7173 1.7173 2.9211 2.9211 5.8863 5.8863 6.8036 6.8036 k = 0.0336 0.0654-0.0000 ( 6315 PWs) bands (ev): -15.2024 -15.2024 -14.7709 -14.7709 -12.9264 -12.9264 -12.0652 -12.0652 -4.5680 -4.5680 -3.1770 -3.1770 -1.8832 -1.8832 -1.8316 -1.8316 -1.4234 -1.4234 -1.2676 -1.2676 -0.6440 -0.6440 -0.1725 -0.1725 0.2850 0.2850 0.5064 0.5064 1.7239 1.7239 2.9143 2.9143 5.9091 5.9091 6.8319 6.8319 k = 0.0403 0.0785-0.0000 ( 6319 PWs) bands (ev): -15.1984 -15.1984 -14.7707 -14.7707 -12.9225 -12.9225 -12.0699 -12.0699 -4.5666 -4.5666 -3.1955 -3.1955 -1.8991 -1.8991 -1.8355 -1.8355 -1.4430 -1.4430 -1.2787 -1.2787 -0.6258 -0.6258 -0.1683 -0.1683 0.2860 0.2860 0.4990 0.4990 1.7331 1.7331 2.9065 2.9065 5.9365 5.9365 6.8662 6.8662 k = 0.0471 0.0916-0.0000 ( 6331 PWs) bands (ev): -15.1937 -15.1937 -14.7704 -14.7704 -12.9179 -12.9179 -12.0755 -12.0755 -4.5650 -4.5650 -3.2171 -3.2171 -1.9183 -1.9183 -1.8382 -1.8382 -1.4650 -1.4650 -1.2902 -1.2902 -0.6070 -0.6070 -0.1637 -0.1637 0.2851 0.2851 0.4903 0.4903 1.7452 1.7452 2.8982 2.8982 5.9684 5.9684 6.9061 6.9061 k = 0.0538 0.1047-0.0000 ( 6327 PWs) bands (ev): -15.1883 -15.1883 -14.7702 -14.7702 -12.9127 -12.9127 -12.0818 -12.0818 -4.5631 -4.5631 -3.2418 -3.2418 -1.9397 -1.9397 -1.8406 -1.8406 -1.4886 -1.4886 -1.3017 -1.3017 -0.5884 -0.5884 -0.1590 -0.1590 0.2816 0.2816 0.4801 0.4801 1.7608 1.7608 2.8895 2.8895 6.0047 6.0047 6.9514 6.9514 k = 0.0605 0.1178-0.0000 ( 6307 PWs) bands (ev): -15.1822 -15.1822 -14.7700 -14.7700 -12.9067 -12.9067 -12.0890 -12.0890 -4.5611 -4.5611 -3.2694 -3.2694 -1.9622 -1.9622 -1.8431 -1.8431 -1.5131 -1.5131 -1.3131 -1.3131 -0.5706 -0.5706 -0.1542 -0.1542 0.2749 0.2749 0.4685 0.4685 1.7801 1.7801 2.8808 2.8808 6.0450 6.0450 7.0020 7.0020 k = 0.0672 0.1309-0.0000 ( 6315 PWs) bands (ev): -15.1755 -15.1755 -14.7699 -14.7699 -12.9001 -12.9001 -12.0969 -12.0969 -4.5590 -4.5590 -3.2999 -3.2999 -1.9850 -1.9850 -1.8464 -1.8464 -1.5375 -1.5375 -1.3243 -1.3243 -0.5543 -0.5543 -0.1496 -0.1496 0.2647 0.2647 0.4555 0.4555 1.8033 1.8033 2.8723 2.8723 6.0892 6.0892 7.0574 7.0574 k = 0.0740 0.1440-0.0000 ( 6325 PWs) bands (ev): -15.1682 -15.1682 -14.7698 -14.7698 -12.8928 -12.8928 -12.1056 -12.1056 -4.5567 -4.5567 -3.3329 -3.3329 -2.0077 -2.0077 -1.8508 -1.8508 -1.5611 -1.5611 -1.3355 -1.3355 -0.5399 -0.5399 -0.1453 -0.1453 0.2508 0.2508 0.4410 0.4410 1.8305 1.8305 2.8645 2.8645 6.1370 6.1370 7.1174 7.1174 k = 0.0807 0.1570-0.0000 ( 6335 PWs) bands (ev): -15.1602 -15.1602 -14.7697 -14.7697 -12.8849 -12.8849 -12.1150 -12.1150 -4.5543 -4.5543 -3.3684 -3.3684 -2.0298 -2.0298 -1.8568 -1.8568 -1.5828 -1.5828 -1.3468 -1.3468 -0.5278 -0.5278 -0.1415 -0.1415 0.2333 0.2333 0.4252 0.4252 1.8617 1.8617 2.8575 2.8575 6.1883 6.1883 7.1818 7.1818 k = 0.0874 0.1701-0.0000 ( 6333 PWs) bands (ev): -15.1517 -15.1517 -14.7698 -14.7698 -12.8764 -12.8764 -12.1251 -12.1251 -4.5517 -4.5517 -3.4059 -3.4059 -2.0509 -2.0509 -1.8646 -1.8646 -1.6021 -1.6021 -1.3581 -1.3581 -0.5184 -0.5184 -0.1386 -0.1386 0.2123 0.2123 0.4081 0.4081 1.8965 1.8965 2.8515 2.8515 6.2428 6.2428 7.2504 7.2504 k = 0.0941 0.1832-0.0000 ( 6327 PWs) bands (ev): -15.1427 -15.1427 -14.7700 -14.7700 -12.8672 -12.8672 -12.1360 -12.1360 -4.5491 -4.5491 -3.4454 -3.4454 -2.0707 -2.0707 -1.8745 -1.8745 -1.6182 -1.6182 -1.3698 -1.3698 -0.5117 -0.5117 -0.1368 -0.1368 0.1884 0.1884 0.3898 0.3898 1.9346 1.9346 2.8468 2.8468 6.3003 6.3003 7.3227 7.3227 k = 0.1008 0.1963-0.0000 ( 6327 PWs) bands (ev): -15.1332 -15.1332 -14.7703 -14.7703 -12.8575 -12.8575 -12.1474 -12.1474 -4.5464 -4.5464 -3.4864 -3.4864 -2.0891 -2.0891 -1.8863 -1.8863 -1.6311 -1.6311 -1.3817 -1.3817 -0.5078 -0.5078 -0.1368 -0.1368 0.1622 0.1622 0.3704 0.3704 1.9756 1.9756 2.8434 2.8434 6.3608 6.3608 7.3987 7.3987 k = 0.1076 0.2094-0.0000 ( 6323 PWs) bands (ev): -15.1231 -15.1231 -14.7708 -14.7708 -12.8471 -12.8471 -12.1595 -12.1595 -4.5436 -4.5436 -3.5288 -3.5288 -2.1059 -2.1059 -1.8998 -1.8998 -1.6407 -1.6407 -1.3942 -1.3942 -0.5069 -0.5069 -0.1391 -0.1391 0.1349 0.1349 0.3500 0.3500 2.0190 2.0190 2.8413 2.8413 6.4241 6.4241 7.4779 7.4779 k = 0.1143 0.2225-0.0000 ( 6335 PWs) bands (ev): -15.1127 -15.1127 -14.7715 -14.7715 -12.8362 -12.8362 -12.1723 -12.1723 -4.5407 -4.5407 -3.5722 -3.5722 -2.1211 -2.1211 -1.9145 -1.9145 -1.6474 -1.6474 -1.4071 -1.4071 -0.5089 -0.5089 -0.1446 -0.1446 0.1077 0.1077 0.3287 0.3287 2.0642 2.0642 2.8406 2.8406 6.4899 6.4899 7.5603 7.5603 k = 0.1210 0.2356-0.0000 ( 6327 PWs) bands (ev): -15.1018 -15.1018 -14.7724 -14.7724 -12.8247 -12.8247 -12.1855 -12.1855 -4.5377 -4.5377 -3.6163 -3.6163 -2.1345 -2.1345 -1.9298 -1.9298 -1.6515 -1.6515 -1.4206 -1.4206 -0.5136 -0.5136 -0.1543 -0.1543 0.0822 0.0822 0.3066 0.3066 2.1109 2.1109 2.8412 2.8412 6.5583 6.5583 7.6455 7.6455 k = 0.1277 0.2486-0.0000 ( 6331 PWs) bands (ev): -15.0905 -15.0905 -14.7736 -14.7736 -12.8127 -12.8127 -12.1993 -12.1993 -4.5345 -4.5345 -3.6608 -3.6608 -2.1463 -2.1463 -1.9451 -1.9451 -1.6536 -1.6536 -1.4349 -1.4349 -0.5211 -0.5211 -0.1695 -0.1695 0.0601 0.0601 0.2837 0.2837 2.1585 2.1585 2.8430 2.8430 6.6291 6.6291 7.7332 7.7332 k = 0.1345 0.2617-0.0000 ( 6355 PWs) bands (ev): -15.0789 -15.0789 -14.7750 -14.7750 -12.8002 -12.8002 -12.2137 -12.2137 -4.5312 -4.5312 -3.7055 -3.7055 -2.1563 -2.1563 -1.9600 -1.9600 -1.6541 -1.6541 -1.4498 -1.4498 -0.5310 -0.5310 -0.1908 -0.1908 0.0427 0.0427 0.2601 0.2601 2.2065 2.2065 2.8458 2.8458 6.7021 6.7021 7.8234 7.8234 k = 0.1412 0.2748-0.0000 ( 6347 PWs) bands (ev): -15.0671 -15.0671 -14.7767 -14.7767 -12.7871 -12.7871 -12.2284 -12.2284 -4.5275 -4.5275 -3.7501 -3.7501 -2.1646 -2.1646 -1.9741 -1.9741 -1.6534 -1.6534 -1.4654 -1.4654 -0.5431 -0.5431 -0.2180 -0.2180 0.0302 0.0302 0.2359 0.2359 2.2545 2.2545 2.8495 2.8495 6.7775 6.7775 7.9157 7.9157 k = 0.1479 0.2879-0.0000 ( 6335 PWs) bands (ev): -15.0549 -15.0549 -14.7788 -14.7788 -12.7736 -12.7736 -12.2436 -12.2436 -4.5236 -4.5236 -3.7943 -3.7943 -2.1712 -2.1712 -1.9873 -1.9873 -1.6518 -1.6518 -1.4819 -1.4819 -0.5571 -0.5571 -0.2502 -0.2502 0.0223 0.0223 0.2111 0.2111 2.3021 2.3021 2.8538 2.8538 6.8550 6.8550 8.0101 8.0101 k = 0.1546 0.3010-0.0000 ( 6331 PWs) bands (ev): -15.0426 -15.0426 -14.7811 -14.7811 -12.7596 -12.7596 -12.2592 -12.2592 -4.5193 -4.5193 -3.8380 -3.8380 -2.1761 -2.1761 -1.9994 -1.9994 -1.6496 -1.6496 -1.4991 -1.4991 -0.5728 -0.5728 -0.2860 -0.2860 0.0181 0.0181 0.1857 0.1857 2.3490 2.3490 2.8586 2.8586 6.9346 6.9346 8.1062 8.1062 k = 0.1614 0.3141-0.0000 ( 6327 PWs) bands (ev): -15.0301 -15.0301 -14.7839 -14.7839 -12.7452 -12.7452 -12.2752 -12.2752 -4.5145 -4.5145 -3.8810 -3.8810 -2.1796 -2.1796 -2.0103 -2.0103 -1.6470 -1.6470 -1.5171 -1.5171 -0.5896 -0.5896 -0.3242 -0.3242 0.0168 0.0168 0.1600 0.1600 2.3949 2.3949 2.8635 2.8635 7.0162 7.0162 8.2040 8.2040 k = 0.1681 0.3272-0.0000 ( 6333 PWs) bands (ev): -15.0175 -15.0175 -14.7870 -14.7870 -12.7303 -12.7303 -12.2914 -12.2914 -4.5091 -4.5091 -3.9229 -3.9229 -2.1815 -2.1815 -2.0201 -2.0201 -1.6442 -1.6442 -1.5359 -1.5359 -0.6073 -0.6073 -0.3636 -0.3636 0.0176 0.0176 0.1338 0.1338 2.4394 2.4394 2.8683 2.8683 7.0999 7.0999 8.3031 8.3032 k = 0.1748 0.3402-0.0000 ( 6329 PWs) bands (ev): -15.0048 -15.0048 -14.7905 -14.7905 -12.7151 -12.7151 -12.3080 -12.3080 -4.5031 -4.5031 -3.9638 -3.9638 -2.1820 -2.1820 -2.0289 -2.0289 -1.6415 -1.6415 -1.5554 -1.5554 -0.6254 -0.6254 -0.4034 -0.4034 0.0200 0.0200 0.1073 0.1073 2.4823 2.4823 2.8728 2.8728 7.1856 7.1856 8.3642 8.3642 k = 0.1815 0.3533-0.0000 ( 6331 PWs) bands (ev): -14.9921 -14.9921 -14.7944 -14.7944 -12.6994 -12.6994 -12.3247 -12.3247 -4.4964 -4.4964 -4.0033 -4.0033 -2.1813 -2.1813 -2.0369 -2.0369 -1.6390 -1.6390 -1.5755 -1.5755 -0.6433 -0.6433 -0.4427 -0.4427 0.0236 0.0236 0.0807 0.0807 2.5233 2.5233 2.8766 2.8766 7.2732 7.2732 8.3105 8.3105 k = 0.1882 0.3664-0.0000 ( 6327 PWs) bands (ev): -14.9794 -14.9794 -14.7987 -14.7987 -12.6834 -12.6834 -12.3417 -12.3417 -4.4888 -4.4888 -4.0415 -4.0415 -2.1795 -2.1795 -2.0441 -2.0441 -1.6370 -1.6370 -1.5960 -1.5960 -0.6607 -0.6607 -0.4811 -0.4811 0.0279 0.0279 0.0541 0.0541 2.5624 2.5624 2.8796 2.8796 7.3627 7.3627 8.2603 8.2603 k = 0.1950 0.3795-0.0000 ( 6339 PWs) bands (ev): -14.9667 -14.9667 -14.8035 -14.8035 -12.6670 -12.6670 -12.3589 -12.3589 -4.4802 -4.4802 -4.0781 -4.0781 -2.1767 -2.1767 -2.0509 -2.0509 -1.6370 -1.6370 -1.6155 -1.6155 -0.6771 -0.6771 -0.5180 -0.5180 0.0243 0.0243 0.0362 0.0362 2.5993 2.5993 2.8816 2.8816 7.4540 7.4540 8.2143 8.2143 k = 0.2017 0.3926-0.0000 ( 6343 PWs) bands (ev): -14.9542 -14.9542 -14.8087 -14.8087 -12.6503 -12.6503 -12.3761 -12.3761 -4.4706 -4.4706 -4.1131 -4.1131 -2.1731 -2.1731 -2.0574 -2.0574 -1.6466 -1.6466 -1.6265 -1.6265 -0.6920 -0.6920 -0.5530 -0.5530 -0.0014 -0.0014 0.0410 0.0410 2.6339 2.6339 2.8822 2.8822 7.5472 7.5472 8.1728 8.1728 k = 0.2084 0.4057-0.0000 ( 6347 PWs) bands (ev): -14.9418 -14.9418 -14.8143 -14.8143 -12.6333 -12.6333 -12.3935 -12.3935 -4.4597 -4.4597 -4.1464 -4.1464 -2.1690 -2.1690 -2.0638 -2.0638 -1.6668 -1.6668 -1.6278 -1.6278 -0.7050 -0.7050 -0.5858 -0.5858 -0.0284 -0.0284 0.0477 0.0477 2.6660 2.6660 2.8812 2.8812 7.6421 7.6421 8.1356 8.1356 k = 0.2151 0.4188-0.0000 ( 6351 PWs) bands (ev): -14.9295 -14.9295 -14.8204 -14.8204 -12.6159 -12.6159 -12.4109 -12.4109 -4.4476 -4.4476 -4.1779 -4.1779 -2.1646 -2.1646 -2.0703 -2.0703 -1.6893 -1.6893 -1.6278 -1.6278 -0.7159 -0.7159 -0.6158 -0.6158 -0.0554 -0.0554 0.0551 0.0551 2.6956 2.6956 2.8786 2.8786 7.7386 7.7386 8.1027 8.1027 k = 0.2219 0.4319-0.0000 ( 6343 PWs) bands (ev): -14.9175 -14.9175 -14.8270 -14.8270 -12.5984 -12.5984 -12.4284 -12.4284 -4.4341 -4.4341 -4.2077 -4.2077 -2.1601 -2.1601 -2.0770 -2.0770 -1.7125 -1.7125 -1.6280 -1.6280 -0.7243 -0.7243 -0.6427 -0.6427 -0.0824 -0.0824 0.0630 0.0630 2.7227 2.7227 2.8741 2.8741 7.8368 7.8368 8.0742 8.0742 k = 0.2286 0.4449-0.0000 ( 6337 PWs) bands (ev): -14.9057 -14.9057 -14.8340 -14.8340 -12.5806 -12.5806 -12.4459 -12.4459 -4.4191 -4.4191 -4.2356 -4.2356 -2.1560 -2.1560 -2.0841 -2.0841 -1.7359 -1.7359 -1.6288 -1.6288 -0.7305 -0.7305 -0.6658 -0.6658 -0.1092 -0.1092 0.0713 0.0713 2.7471 2.7471 2.8676 2.8676 7.9365 7.9365 8.0500 8.0500 k = 0.2353 0.4580-0.0000 ( 6349 PWs) bands (ev): -14.8942 -14.8942 -14.8414 -14.8414 -12.5626 -12.5626 -12.4633 -12.4633 -4.4026 -4.4026 -4.2616 -4.2616 -2.1524 -2.1524 -2.0916 -2.0916 -1.7592 -1.7592 -1.6304 -1.6304 -0.7350 -0.7350 -0.6840 -0.6840 -0.1358 -0.1358 0.0801 0.0801 2.7688 2.7688 2.8589 2.8589 8.0294 8.0294 8.0382 8.0382 k = 0.2420 0.4711-0.0000 ( 6345 PWs) bands (ev): -14.8830 -14.8830 -14.8493 -14.8493 -12.5443 -12.5443 -12.4806 -12.4806 -4.3844 -4.3844 -4.2858 -4.2858 -2.1498 -2.1498 -2.0997 -2.0997 -1.7822 -1.7822 -1.6328 -1.6328 -0.7395 -0.7395 -0.6955 -0.6955 -0.1620 -0.1620 0.0891 0.0891 2.7879 2.7879 2.8479 2.8479 8.0140 8.0140 8.1400 8.1400 k = 0.2488 0.4842-0.0000 ( 6345 PWs) bands (ev): -14.8722 -14.8722 -14.8576 -14.8576 -12.5260 -12.5260 -12.4979 -12.4979 -4.3646 -4.3646 -4.3082 -4.3082 -2.1485 -2.1485 -2.1083 -2.1083 -1.8046 -1.8046 -1.6360 -1.6360 -0.7455 -0.7455 -0.6984 -0.6984 -0.1877 -0.1877 0.0985 0.0985 2.8044 2.8044 2.8346 2.8346 8.0021 8.0021 8.2434 8.2434 k = 0.2555 0.4973-0.0000 ( 6349 PWs) bands (ev): -14.8663 -14.8663 -14.8617 -14.8617 -12.5151 -12.5151 -12.5074 -12.5074 -4.3430 -4.3430 -4.3287 -4.3287 -2.1488 -2.1488 -2.1173 -2.1173 -1.8261 -1.8261 -1.6400 -1.6400 -0.7524 -0.7524 -0.6934 -0.6934 -0.2129 -0.2129 0.1082 0.1082 2.8174 2.8174 2.8198 2.8198 7.9942 7.9942 8.3473 8.3473 k = 0.2622 0.5104-0.0000 ( 6345 PWs) bands (ev): -14.8753 -14.8753 -14.8517 -14.8517 -12.5320 -12.5320 -12.4888 -12.4888 -4.3476 -4.3476 -4.3195 -4.3195 -2.1512 -2.1512 -2.1267 -2.1267 -1.8463 -1.8463 -1.6448 -1.6448 -0.7581 -0.7581 -0.6826 -0.6826 -0.2374 -0.2374 0.1180 0.1180 2.8005 2.8005 2.8299 2.8299 7.9902 7.9902 8.4410 8.4410 k = 0.2689 0.5235-0.0000 ( 6337 PWs) bands (ev): -14.8847 -14.8847 -14.8420 -14.8420 -12.5488 -12.5488 -12.4701 -12.4701 -4.3646 -4.3646 -4.2943 -4.2943 -2.1559 -2.1559 -2.1363 -2.1363 -1.8647 -1.8647 -1.6504 -1.6504 -0.7617 -0.7617 -0.6674 -0.6674 -0.2609 -0.2609 0.1281 0.1281 2.7797 2.7797 2.8389 2.8389 7.9899 7.9899 8.4561 8.4561 k = 0.2756 0.5365-0.0000 ( 6325 PWs) bands (ev): -14.8944 -14.8944 -14.8328 -14.8328 -12.5655 -12.5655 -12.4514 -12.4514 -4.3801 -4.3801 -4.2673 -4.2673 -2.1632 -2.1632 -2.1460 -2.1460 -1.8812 -1.8812 -1.6566 -1.6566 -0.7628 -0.7628 -0.6487 -0.6487 -0.2832 -0.2832 0.1383 0.1383 2.7564 2.7564 2.8456 2.8456 7.9932 7.9932 8.4685 8.4685 k = 0.2824 0.5496-0.0000 ( 6325 PWs) bands (ev): -14.9044 -14.9044 -14.8241 -14.8241 -12.5819 -12.5819 -12.4326 -12.4326 -4.3939 -4.3939 -4.2384 -4.2384 -2.1734 -2.1734 -2.1556 -2.1556 -1.8954 -1.8954 -1.6635 -1.6635 -0.7612 -0.7612 -0.6273 -0.6273 -0.3039 -0.3039 0.1486 0.1486 2.7306 2.7306 2.8502 2.8502 8.0001 8.0001 8.4847 8.4847 k = 0.2891 0.5627-0.0000 ( 6325 PWs) bands (ev): -14.9146 -14.9146 -14.8158 -14.8158 -12.5980 -12.5980 -12.4139 -12.4139 -4.4063 -4.4063 -4.2077 -4.2077 -2.1864 -2.1864 -2.1649 -2.1649 -1.9070 -1.9070 -1.6710 -1.6710 -0.7574 -0.7574 -0.6039 -0.6039 -0.3223 -0.3223 0.1590 0.1590 2.7023 2.7023 2.8527 2.8527 8.0102 8.0102 8.5046 8.5046 k = 0.2958 0.5758-0.0000 ( 6321 PWs) bands (ev): -14.9251 -14.9251 -14.8079 -14.8079 -12.6139 -12.6139 -12.3952 -12.3952 -4.4172 -4.4172 -4.1752 -4.1752 -2.2020 -2.2020 -2.1738 -2.1738 -1.9161 -1.9161 -1.6789 -1.6789 -0.7516 -0.7516 -0.5798 -0.5798 -0.3375 -0.3375 0.1694 0.1694 2.6716 2.6716 2.8534 2.8534 8.0234 8.0234 8.5283 8.5283 k = 0.3025 0.5889-0.0000 ( 6325 PWs) bands (ev): -14.9358 -14.9358 -14.8006 -14.8006 -12.6296 -12.6296 -12.3766 -12.3766 -4.4269 -4.4269 -4.1410 -4.1410 -2.2199 -2.2199 -2.1821 -2.1821 -1.9227 -1.9227 -1.6872 -1.6872 -0.7445 -0.7445 -0.5565 -0.5565 -0.3478 -0.3478 0.1799 0.1799 2.6385 2.6385 2.8525 2.8525 8.0397 8.0397 8.5556 8.5556 k = 0.3093 0.6020-0.0000 ( 6315 PWs) bands (ev): -14.9467 -14.9467 -14.7937 -14.7937 -12.6449 -12.6449 -12.3581 -12.3581 -4.4354 -4.4354 -4.1051 -4.1051 -2.2397 -2.2397 -2.1897 -2.1897 -1.9269 -1.9269 -1.6958 -1.6958 -0.7367 -0.7367 -0.5363 -0.5363 -0.3511 -0.3511 0.1903 0.1903 2.6032 2.6032 2.8501 2.8501 8.0586 8.0586 8.5865 8.5865 k = 0.3160 0.6151-0.0000 ( 6321 PWs) bands (ev): -14.9576 -14.9576 -14.7873 -14.7873 -12.6599 -12.6599 -12.3398 -12.3398 -4.4427 -4.4427 -4.0676 -4.0676 -2.2611 -2.2611 -2.1964 -2.1964 -1.9287 -1.9287 -1.7046 -1.7046 -0.7290 -0.7290 -0.5214 -0.5214 -0.3449 -0.3449 0.2007 0.2007 2.5659 2.5659 2.8465 2.8465 8.0801 8.0801 8.6207 8.6207 k = 0.3160 0.6151-0.0000 ( 6321 PWs) bands (ev): -14.9576 -14.9576 -14.7873 -14.7873 -12.6599 -12.6599 -12.3398 -12.3398 -4.4427 -4.4427 -4.0676 -4.0676 -2.2611 -2.2611 -2.1964 -2.1964 -1.9287 -1.9287 -1.7046 -1.7046 -0.7290 -0.7290 -0.5214 -0.5214 -0.3449 -0.3449 0.2007 0.2007 2.5659 2.5659 2.8465 2.8465 8.0801 8.0801 8.6207 8.6207 k = 0.3016 0.6151-0.0000 ( 6324 PWs) bands (ev): -14.9527 -14.9527 -14.7901 -14.7901 -12.6533 -12.6533 -12.3479 -12.3479 -4.4397 -4.4397 -4.0845 -4.0845 -2.2512 -2.2512 -2.1936 -2.1936 -1.9278 -1.9278 -1.7002 -1.7002 -0.7323 -0.7323 -0.5273 -0.5273 -0.3484 -0.3484 0.1959 0.1959 2.5828 2.5828 2.8483 2.8483 8.0670 8.0670 8.5950 8.5950 k = 0.2873 0.6151-0.0000 ( 6323 PWs) bands (ev): -14.9480 -14.9480 -14.7930 -14.7930 -12.6467 -12.6467 -12.3561 -12.3561 -4.4365 -4.4365 -4.1010 -4.1010 -2.2412 -2.2412 -2.1908 -2.1908 -1.9258 -1.9258 -1.6951 -1.6951 -0.7357 -0.7357 -0.5347 -0.5347 -0.3485 -0.3485 0.1909 0.1909 2.5992 2.5992 2.8499 2.8499 8.0479 8.0479 8.5504 8.5504 k = 0.2729 0.6151-0.0000 ( 6327 PWs) bands (ev): -14.9433 -14.9433 -14.7960 -14.7960 -12.6401 -12.6401 -12.3642 -12.3642 -4.4334 -4.4334 -4.1170 -4.1170 -2.2315 -2.2315 -2.1879 -2.1879 -1.9224 -1.9224 -1.6893 -1.6893 -0.7390 -0.7390 -0.5436 -0.5436 -0.3453 -0.3453 0.1854 0.1854 2.6152 2.6152 2.8514 2.8514 8.0229 8.0229 8.4896 8.4896 k = 0.2585 0.6151-0.0000 ( 6327 PWs) bands (ev): -14.9387 -14.9387 -14.7991 -14.7991 -12.6335 -12.6335 -12.3724 -12.3724 -4.4301 -4.4301 -4.1327 -4.1327 -2.2224 -2.2224 -2.1848 -2.1848 -1.9175 -1.9175 -1.6830 -1.6830 -0.7423 -0.7423 -0.5538 -0.5538 -0.3391 -0.3391 0.1796 0.1796 2.6307 2.6307 2.8527 2.8527 7.9922 7.9922 8.4172 8.4172 k = 0.2442 0.6151-0.0000 ( 6325 PWs) bands (ev): -14.9341 -14.9341 -14.8024 -14.8024 -12.6270 -12.6270 -12.3805 -12.3805 -4.4268 -4.4268 -4.1479 -4.1479 -2.2141 -2.2141 -2.1816 -2.1816 -1.9110 -1.9110 -1.6763 -1.6763 -0.7455 -0.7455 -0.5650 -0.5650 -0.3303 -0.3303 0.1733 0.1733 2.6457 2.6457 2.8538 2.8538 7.9565 7.9565 8.3374 8.3374 k = 0.2298 0.6151-0.0000 ( 6332 PWs) bands (ev): -14.9297 -14.9297 -14.8057 -14.8057 -12.6204 -12.6204 -12.3886 -12.3886 -4.4234 -4.4234 -4.1627 -4.1627 -2.2069 -2.2069 -2.1781 -2.1781 -1.9028 -1.9028 -1.6694 -1.6694 -0.7486 -0.7486 -0.5769 -0.5769 -0.3191 -0.3191 0.1665 0.1665 2.6603 2.6603 2.8546 2.8546 7.9165 7.9165 8.2539 8.2539 k = 0.2154 0.6151-0.0000 ( 6337 PWs) bands (ev): -14.9253 -14.9253 -14.8090 -14.8090 -12.6139 -12.6139 -12.3967 -12.3967 -4.4198 -4.4198 -4.1771 -4.1771 -2.2009 -2.2009 -2.1745 -2.1745 -1.8930 -1.8930 -1.6625 -1.6625 -0.7515 -0.7515 -0.5892 -0.5892 -0.3061 -0.3061 0.1592 0.1592 2.6743 2.6743 2.8552 2.8552 7.8730 7.8730 8.1693 8.1693 k = 0.2011 0.6151-0.0000 ( 6341 PWs) bands (ev): -14.9210 -14.9210 -14.8125 -14.8125 -12.6073 -12.6073 -12.4048 -12.4048 -4.4162 -4.4162 -4.1911 -4.1911 -2.1960 -2.1960 -2.1708 -2.1708 -1.8814 -1.8814 -1.6557 -1.6557 -0.7542 -0.7542 -0.6018 -0.6018 -0.2914 -0.2914 0.1512 0.1512 2.6878 2.6878 2.8555 2.8555 7.8272 7.8272 8.0855 8.0855 k = 0.1867 0.6151-0.0000 ( 6334 PWs) bands (ev): -14.9167 -14.9167 -14.8160 -14.8160 -12.6007 -12.6007 -12.4128 -12.4128 -4.4123 -4.4123 -4.2046 -4.2046 -2.1921 -2.1921 -2.1674 -2.1674 -1.8683 -1.8683 -1.6492 -1.6492 -0.7566 -0.7566 -0.6144 -0.6144 -0.2754 -0.2754 0.1426 0.1426 2.7008 2.7008 2.8556 2.8556 7.7801 7.7801 8.0040 8.0040 k = 0.1724 0.6151-0.0000 ( 6334 PWs) bands (ev): -14.9125 -14.9125 -14.8195 -14.8195 -12.5941 -12.5941 -12.4208 -12.4208 -4.4083 -4.4083 -4.2177 -4.2177 -2.1889 -2.1889 -2.1644 -2.1644 -1.8538 -1.8538 -1.6432 -1.6432 -0.7586 -0.7586 -0.6268 -0.6268 -0.2584 -0.2584 0.1334 0.1334 2.7132 2.7132 2.8553 2.8553 7.7325 7.7325 7.9258 7.9258 k = 0.1580 0.6151-0.0000 ( 6336 PWs) bands (ev): -14.9084 -14.9084 -14.8231 -14.8231 -12.5875 -12.5875 -12.4287 -12.4287 -4.4042 -4.4042 -4.2303 -4.2303 -2.1862 -2.1862 -2.1619 -2.1619 -1.8382 -1.8382 -1.6379 -1.6379 -0.7603 -0.7603 -0.6391 -0.6391 -0.2406 -0.2406 0.1234 0.1234 2.7251 2.7251 2.8546 2.8546 7.6857 7.6857 7.8515 7.8515 k = 0.1436 0.6151-0.0000 ( 6342 PWs) bands (ev): -14.9043 -14.9043 -14.8268 -14.8268 -12.5808 -12.5808 -12.4366 -12.4366 -4.3998 -4.3998 -4.2425 -4.2425 -2.1838 -2.1838 -2.1601 -2.1601 -1.8216 -1.8216 -1.6335 -1.6335 -0.7615 -0.7615 -0.6510 -0.6510 -0.2221 -0.2221 0.1128 0.1128 2.7365 2.7365 2.8536 2.8536 7.6403 7.6403 7.7819 7.7819 k = 0.1293 0.6151-0.0000 ( 6346 PWs) bands (ev): -14.9002 -14.9002 -14.8304 -14.8304 -12.5742 -12.5742 -12.4444 -12.4444 -4.3951 -4.3951 -4.2542 -4.2542 -2.1816 -2.1816 -2.1589 -2.1589 -1.8044 -1.8044 -1.6302 -1.6302 -0.7621 -0.7621 -0.6625 -0.6625 -0.2032 -0.2032 0.1015 0.1015 2.7473 2.7473 2.8522 2.8522 7.5973 7.5973 7.7175 7.7175 k = 0.1149 0.6151-0.0000 ( 6344 PWs) bands (ev): -14.8961 -14.8961 -14.8342 -14.8342 -12.5674 -12.5674 -12.4522 -12.4522 -4.3903 -4.3903 -4.2655 -4.2655 -2.1796 -2.1796 -2.1583 -2.1583 -1.7868 -1.7868 -1.6279 -1.6279 -0.7623 -0.7623 -0.6736 -0.6736 -0.1839 -0.1839 0.0894 0.0894 2.7576 2.7576 2.8505 2.8505 7.5573 7.5573 7.6586 7.6586 k = 0.1005 0.6151-0.0000 ( 6338 PWs) bands (ev): -14.8921 -14.8921 -14.8379 -14.8379 -12.5607 -12.5607 -12.4599 -12.4599 -4.3851 -4.3851 -4.2764 -4.2764 -2.1776 -2.1776 -2.1581 -2.1581 -1.7692 -1.7692 -1.6271 -1.6271 -0.7619 -0.7619 -0.6841 -0.6841 -0.1645 -0.1645 0.0766 0.0766 2.7673 2.7673 2.8483 2.8483 7.5212 7.5212 7.6055 7.6055 k = 0.0862 0.6151-0.0000 ( 6344 PWs) bands (ev): -14.8882 -14.8882 -14.8417 -14.8417 -12.5539 -12.5539 -12.4675 -12.4675 -4.3797 -4.3797 -4.2868 -4.2868 -2.1758 -2.1758 -2.1584 -2.1584 -1.7518 -1.7518 -1.6276 -1.6276 -0.7608 -0.7608 -0.6940 -0.6940 -0.1450 -0.1450 0.0630 0.0630 2.7765 2.7765 2.8457 2.8457 7.4892 7.4892 7.5585 7.5585 k = 0.0718 0.6151-0.0000 ( 6350 PWs) bands (ev): -14.8842 -14.8842 -14.8455 -14.8455 -12.5470 -12.5470 -12.4751 -12.4751 -4.3740 -4.3740 -4.2968 -4.2968 -2.1740 -2.1740 -2.1590 -2.1590 -1.7349 -1.7349 -1.6297 -1.6297 -0.7591 -0.7591 -0.7034 -0.7034 -0.1255 -0.1255 0.0488 0.0488 2.7852 2.7852 2.8426 2.8426 7.4621 7.4621 7.5177 7.5177 k = 0.0575 0.6151-0.0000 ( 6350 PWs) bands (ev): -14.8803 -14.8803 -14.8493 -14.8493 -12.5401 -12.5401 -12.4826 -12.4826 -4.3679 -4.3679 -4.3063 -4.3063 -2.1722 -2.1722 -2.1599 -2.1599 -1.7186 -1.7186 -1.6333 -1.6333 -0.7567 -0.7567 -0.7121 -0.7121 -0.1062 -0.1062 0.0339 0.0339 2.7933 2.7933 2.8391 2.8391 7.4402 7.4402 7.4833 7.4833 k = 0.0431 0.6151-0.0000 ( 6347 PWs) bands (ev): -14.8763 -14.8763 -14.8531 -14.8531 -12.5332 -12.5332 -12.4900 -12.4900 -4.3616 -4.3616 -4.3154 -4.3154 -2.1704 -2.1704 -2.1610 -2.1610 -1.7032 -1.7032 -1.6386 -1.6386 -0.7537 -0.7537 -0.7202 -0.7202 -0.0872 -0.0872 0.0183 0.0183 2.8008 2.8008 2.8352 2.8352 7.4239 7.4239 7.4555 7.4555 k = 0.0287 0.6151-0.0000 ( 6345 PWs) bands (ev): -14.8724 -14.8724 -14.8569 -14.8569 -12.5261 -12.5261 -12.4974 -12.4974 -4.3548 -4.3548 -4.3241 -4.3241 -2.1687 -2.1687 -2.1623 -2.1623 -1.6889 -1.6889 -1.6456 -1.6456 -0.7499 -0.7499 -0.7275 -0.7275 -0.0684 -0.0684 0.0021 0.0021 2.8078 2.8078 2.8307 2.8307 7.4135 7.4135 7.4341 7.4341 k = 0.0144 0.6151-0.0000 ( 6344 PWs) bands (ev): -14.8686 -14.8686 -14.8608 -14.8608 -12.5190 -12.5190 -12.5046 -12.5046 -4.3477 -4.3477 -4.3324 -4.3324 -2.1670 -2.1670 -2.1638 -2.1638 -1.6759 -1.6759 -1.6541 -1.6541 -0.7454 -0.7454 -0.7342 -0.7342 -0.0501 -0.0501 -0.0148 -0.0148 2.8143 2.8143 2.8258 2.8258 7.4091 7.4091 7.4193 7.4193 k = 0.0000 0.6151-0.0000 ( 6340 PWs) bands (ev): -14.8651 -14.8651 -14.8642 -14.8642 -12.5123 -12.5123 -12.5115 -12.5115 -4.3405 -4.3405 -4.3400 -4.3400 -2.1656 -2.1656 -2.1651 -2.1651 -1.6646 -1.6646 -1.6639 -1.6639 -0.7404 -0.7404 -0.7399 -0.7399 -0.0325 -0.0325 -0.0318 -0.0318 2.8201 2.8201 2.8205 2.8205 7.4108 7.4108 7.4112 7.4112 k = 0.0000 0.6151-0.0000 ( 6340 PWs) bands (ev): -14.8651 -14.8651 -14.8642 -14.8642 -12.5123 -12.5123 -12.5115 -12.5115 -4.3405 -4.3405 -4.3400 -4.3400 -2.1656 -2.1656 -2.1651 -2.1651 -1.6646 -1.6646 -1.6639 -1.6639 -0.7404 -0.7404 -0.7399 -0.7399 -0.0325 -0.0325 -0.0318 -0.0318 2.8201 2.8201 2.8205 2.8205 7.4108 7.4108 7.4112 7.4112 k = 0.0000 0.6151 0.0142 ( 6346 PWs) bands (ev): -14.8651 -14.8651 -14.8642 -14.8642 -12.5123 -12.5123 -12.5115 -12.5115 -4.3393 -4.3393 -4.3389 -4.3389 -2.1715 -2.1715 -2.1700 -2.1700 -1.6665 -1.6665 -1.6648 -1.6648 -0.7339 -0.7339 -0.7312 -0.7312 -0.0330 -0.0330 -0.0303 -0.0303 2.8167 2.8167 2.8172 2.8172 7.4122 7.4122 7.4126 7.4126 k = 0.0000 0.6151 0.0284 ( 6344 PWs) bands (ev): -14.8651 -14.8651 -14.8642 -14.8642 -12.5123 -12.5123 -12.5115 -12.5115 -4.3360 -4.3360 -4.3354 -4.3354 -2.1880 -2.1880 -2.1852 -2.1852 -1.6710 -1.6710 -1.6679 -1.6679 -0.7133 -0.7133 -0.7079 -0.7079 -0.0326 -0.0326 -0.0272 -0.0272 2.8067 2.8067 2.8074 2.8074 7.4165 7.4165 7.4169 7.4169 k = 0.0000 0.6151 0.0427 ( 6346 PWs) bands (ev): -14.8651 -14.8651 -14.8642 -14.8642 -12.5124 -12.5124 -12.5115 -12.5115 -4.3304 -4.3304 -4.3298 -4.3298 -2.2141 -2.2141 -2.2103 -2.2103 -1.6770 -1.6770 -1.6728 -1.6728 -0.6802 -0.6802 -0.6718 -0.6718 -0.0310 -0.0310 -0.0228 -0.0228 2.7903 2.7903 2.7913 2.7913 7.4235 7.4235 7.4240 7.4240 k = 0.0000 0.6151 0.0569 ( 6340 PWs) bands (ev): -14.8651 -14.8651 -14.8642 -14.8642 -12.5124 -12.5124 -12.5116 -12.5116 -4.3227 -4.3227 -4.3220 -4.3220 -2.2485 -2.2485 -2.2440 -2.2440 -1.6836 -1.6836 -1.6785 -1.6785 -0.6371 -0.6371 -0.6254 -0.6254 -0.0281 -0.0281 -0.0166 -0.0166 2.7677 2.7677 2.7690 2.7690 7.4333 7.4333 7.4338 7.4338 k = 0.0000 0.6151 0.0711 ( 6344 PWs) bands (ev): -14.8651 -14.8651 -14.8642 -14.8642 -12.5125 -12.5125 -12.5117 -12.5117 -4.3131 -4.3131 -4.3122 -4.3122 -2.2897 -2.2897 -2.2846 -2.2846 -1.6899 -1.6899 -1.6843 -1.6843 -0.5870 -0.5870 -0.5715 -0.5715 -0.0235 -0.0235 -0.0083 -0.0083 2.7396 2.7396 2.7411 2.7411 7.4455 7.4455 7.4461 7.4461 k = 0.0000 0.6151 0.0853 ( 6350 PWs) bands (ev): -14.8651 -14.8651 -14.8641 -14.8641 -12.5126 -12.5126 -12.5118 -12.5118 -4.3017 -4.3017 -4.3007 -4.3007 -2.3358 -2.3358 -2.3305 -2.3305 -1.6957 -1.6957 -1.6897 -1.6897 -0.5328 -0.5328 -0.5129 -0.5129 -0.0166 -0.0166 0.0028 0.0028 2.7064 2.7064 2.7081 2.7081 7.4601 7.4601 7.4607 7.4607 k = 0.0000 0.6151 0.0996 ( 6344 PWs) bands (ev): -14.8650 -14.8650 -14.8641 -14.8641 -12.5127 -12.5127 -12.5119 -12.5119 -4.2887 -4.2887 -4.2875 -4.2875 -2.3851 -2.3851 -2.3798 -2.3798 -1.7006 -1.7006 -1.6945 -1.6945 -0.4775 -0.4775 -0.4527 -0.4527 -0.0068 -0.0068 0.0175 0.0175 2.6688 2.6688 2.6708 2.6708 7.4768 7.4768 7.4773 7.4773 k = 0.0000 0.6151 0.1138 ( 6348 PWs) bands (ev): -14.8650 -14.8650 -14.8641 -14.8641 -12.5128 -12.5128 -12.5120 -12.5120 -4.2744 -4.2744 -4.2731 -4.2731 -2.4361 -2.4361 -2.4309 -2.4309 -1.7047 -1.7047 -1.6986 -1.6986 -0.4240 -0.4240 -0.3939 -0.3939 0.0070 0.0070 0.0366 0.0366 2.6277 2.6277 2.6299 2.6299 7.4952 7.4952 7.4957 7.4957 k = 0.0000 0.6151 0.1280 ( 6346 PWs) bands (ev): -14.8650 -14.8650 -14.8641 -14.8641 -12.5129 -12.5129 -12.5121 -12.5121 -4.2592 -4.2592 -4.2578 -4.2578 -2.4872 -2.4872 -2.4822 -2.4822 -1.7081 -1.7081 -1.7020 -1.7020 -0.3749 -0.3749 -0.3395 -0.3395 0.0261 0.0261 0.0609 0.0609 2.5841 2.5841 2.5865 2.5865 7.5149 7.5149 7.5154 7.5154 k = 0.0000 0.6151 0.1422 ( 6344 PWs) bands (ev): -14.8650 -14.8650 -14.8641 -14.8641 -12.5130 -12.5130 -12.5122 -12.5122 -4.2435 -4.2435 -4.2420 -4.2420 -2.5371 -2.5371 -2.5323 -2.5323 -1.7108 -1.7108 -1.7048 -1.7048 -0.3322 -0.3322 -0.2922 -0.2922 0.0514 0.0514 0.0909 0.0909 2.5391 2.5391 2.5416 2.5416 7.5356 7.5356 7.5360 7.5360 k = 0.0000 0.6151 0.1565 ( 6348 PWs) bands (ev): -14.8649 -14.8649 -14.8640 -14.8640 -12.5131 -12.5131 -12.5123 -12.5123 -4.2277 -4.2277 -4.2260 -4.2260 -2.5845 -2.5845 -2.5800 -2.5800 -1.7129 -1.7129 -1.7070 -1.7070 -0.2971 -0.2971 -0.2539 -0.2539 0.0831 0.0831 0.1258 0.1258 2.4938 2.4938 2.4965 2.4965 7.5564 7.5564 7.5569 7.5569 k = 0.0000 0.6151 0.1707 ( 6342 PWs) bands (ev): -14.8649 -14.8649 -14.8640 -14.8640 -12.5132 -12.5132 -12.5124 -12.5124 -4.2123 -4.2123 -4.2105 -4.2105 -2.6283 -2.6283 -2.6240 -2.6240 -1.7146 -1.7146 -1.7088 -1.7088 -0.2696 -0.2696 -0.2249 -0.2249 0.1198 0.1198 0.1640 0.1640 2.4499 2.4499 2.4526 2.4526 7.5770 7.5770 7.5774 7.5774 k = 0.0000 0.6151 0.1849 ( 6342 PWs) bands (ev): -14.8649 -14.8649 -14.8640 -14.8640 -12.5133 -12.5133 -12.5125 -12.5125 -4.1979 -4.1979 -4.1960 -4.1960 -2.6675 -2.6675 -2.6634 -2.6634 -1.7159 -1.7159 -1.7103 -1.7103 -0.2488 -0.2488 -0.2039 -0.2039 0.1586 0.1586 0.2030 0.2030 2.4087 2.4087 2.4115 2.4115 7.5964 7.5964 7.5969 7.5969 k = 0.0000 0.6151 0.1991 ( 6344 PWs) bands (ev): -14.8649 -14.8649 -14.8640 -14.8640 -12.5134 -12.5134 -12.5126 -12.5126 -4.1851 -4.1851 -4.1830 -4.1830 -2.7011 -2.7011 -2.6972 -2.6972 -1.7169 -1.7169 -1.7114 -1.7114 -0.2336 -0.2336 -0.1893 -0.1893 0.1960 0.1960 0.2400 0.2400 2.3719 2.3719 2.3747 2.3747 7.6138 7.6138 7.6144 7.6144 k = 0.0000 0.6151 0.2134 ( 6332 PWs) bands (ev): -14.8649 -14.8649 -14.8640 -14.8640 -12.5135 -12.5135 -12.5126 -12.5126 -4.1744 -4.1744 -4.1722 -4.1722 -2.7282 -2.7282 -2.7244 -2.7244 -1.7176 -1.7176 -1.7122 -1.7122 -0.2229 -0.2229 -0.1794 -0.1794 0.2289 0.2289 0.2721 0.2721 2.3411 2.3411 2.3439 2.3439 7.6285 7.6285 7.6292 7.6292 k = 0.0000 0.6151 0.2276 ( 6326 PWs) bands (ev): -14.8649 -14.8649 -14.8639 -14.8639 -12.5135 -12.5135 -12.5127 -12.5127 -4.1663 -4.1663 -4.1641 -4.1641 -2.7481 -2.7481 -2.7445 -2.7445 -1.7181 -1.7181 -1.7127 -1.7127 -0.2159 -0.2159 -0.1731 -0.1731 0.2544 0.2544 0.2970 0.2970 2.3178 2.3178 2.3206 2.3206 7.6397 7.6397 7.6405 7.6405 k = 0.0000 0.6151 0.2418 ( 6330 PWs) bands (ev): -14.8648 -14.8648 -14.8639 -14.8639 -12.5135 -12.5135 -12.5127 -12.5127 -4.1613 -4.1613 -4.1590 -4.1590 -2.7603 -2.7603 -2.7568 -2.7568 -1.7184 -1.7184 -1.7131 -1.7131 -0.2120 -0.2120 -0.1696 -0.1696 0.2705 0.2705 0.3127 0.3127 2.3033 2.3033 2.3061 2.3061 7.6467 7.6467 7.6476 7.6476 k = 0.0000 0.6151 0.2560 ( 6328 PWs) bands (ev): -14.8648 -14.8648 -14.8639 -14.8639 -12.5135 -12.5135 -12.5127 -12.5127 -4.1595 -4.1595 -4.1573 -4.1573 -2.7644 -2.7644 -2.7609 -2.7609 -1.7185 -1.7185 -1.7132 -1.7132 -0.2107 -0.2107 -0.1685 -0.1685 0.2761 0.2761 0.3180 0.3180 2.2983 2.2983 2.3011 2.3011 7.6491 7.6491 7.6500 7.6500 k = 0.0000 0.6151 0.2560 ( 6328 PWs) bands (ev): -14.8648 -14.8648 -14.8639 -14.8639 -12.5135 -12.5135 -12.5127 -12.5127 -4.1595 -4.1595 -4.1573 -4.1573 -2.7644 -2.7644 -2.7609 -2.7609 -1.7185 -1.7185 -1.7132 -1.7132 -0.2107 -0.2107 -0.1685 -0.1685 0.2761 0.2761 0.3180 0.3180 2.2983 2.2983 2.3011 2.3011 7.6491 7.6491 7.6500 7.6500 k = 0.0144 0.6151 0.2560 ( 6320 PWs) bands (ev): -14.8649 -14.8649 -14.8640 -14.8640 -12.5135 -12.5135 -12.5127 -12.5127 -4.1595 -4.1595 -4.1572 -4.1572 -2.7640 -2.7640 -2.7605 -2.7605 -1.7195 -1.7195 -1.7142 -1.7142 -0.2106 -0.2106 -0.1686 -0.1686 0.2758 0.2758 0.3177 0.3177 2.2985 2.2985 2.3013 2.3013 7.6524 7.6524 7.6533 7.6533 k = 0.0287 0.6151 0.2560 ( 6324 PWs) bands (ev): -14.8649 -14.8649 -14.8640 -14.8640 -12.5134 -12.5134 -12.5125 -12.5125 -4.1593 -4.1593 -4.1571 -4.1571 -2.7626 -2.7626 -2.7591 -2.7591 -1.7224 -1.7224 -1.7171 -1.7171 -0.2105 -0.2105 -0.1686 -0.1686 0.2748 0.2748 0.3165 0.3165 2.2991 2.2991 2.3019 2.3019 7.6620 7.6620 7.6630 7.6630 k = 0.0431 0.6151 0.2560 ( 6342 PWs) bands (ev): -14.8650 -14.8650 -14.8641 -14.8641 -12.5132 -12.5132 -12.5123 -12.5123 -4.1590 -4.1590 -4.1568 -4.1568 -2.7603 -2.7603 -2.7568 -2.7568 -1.7272 -1.7272 -1.7219 -1.7219 -0.2103 -0.2103 -0.1688 -0.1688 0.2733 0.2733 0.3147 0.3147 2.3000 2.3000 2.3027 2.3027 7.6781 7.6781 7.6791 7.6791 k = 0.0575 0.6151 0.2560 ( 6344 PWs) bands (ev): -14.8651 -14.8651 -14.8642 -14.8642 -12.5129 -12.5129 -12.5120 -12.5120 -4.1586 -4.1586 -4.1564 -4.1564 -2.7570 -2.7570 -2.7536 -2.7536 -1.7339 -1.7339 -1.7286 -1.7286 -0.2101 -0.2101 -0.1690 -0.1690 0.2711 0.2711 0.3121 0.3121 2.3012 2.3012 2.3040 2.3040 7.7006 7.7006 7.7016 7.7016 k = 0.0718 0.6151 0.2560 ( 6344 PWs) bands (ev): -14.8653 -14.8653 -14.8644 -14.8644 -12.5125 -12.5125 -12.5117 -12.5117 -4.1580 -4.1580 -4.1559 -4.1559 -2.7529 -2.7529 -2.7495 -2.7495 -1.7422 -1.7422 -1.7370 -1.7370 -0.2099 -0.2099 -0.1694 -0.1694 0.2684 0.2684 0.3088 0.3088 2.3029 2.3029 2.3056 2.3056 7.7293 7.7293 7.7304 7.7304 k = 0.0862 0.6151 0.2560 ( 6346 PWs) bands (ev): -14.8655 -14.8655 -14.8646 -14.8646 -12.5121 -12.5121 -12.5112 -12.5112 -4.1574 -4.1574 -4.1553 -4.1553 -2.7479 -2.7479 -2.7445 -2.7445 -1.7521 -1.7521 -1.7470 -1.7470 -0.2096 -0.2096 -0.1699 -0.1699 0.2651 0.2651 0.3047 0.3047 2.3049 2.3049 2.3075 2.3075 7.7640 7.7640 7.7653 7.7653 k = 0.1005 0.6151 0.2560 ( 6342 PWs) bands (ev): -14.8657 -14.8657 -14.8648 -14.8648 -12.5115 -12.5115 -12.5107 -12.5107 -4.1566 -4.1566 -4.1546 -4.1546 -2.7420 -2.7420 -2.7387 -2.7387 -1.7635 -1.7635 -1.7585 -1.7585 -0.2094 -0.2094 -0.1706 -0.1706 0.2613 0.2613 0.3001 0.3001 2.3072 2.3072 2.3098 2.3098 7.8047 7.8047 7.8060 7.8060 k = 0.1149 0.6151 0.2560 ( 6344 PWs) bands (ev): -14.8660 -14.8660 -14.8651 -14.8651 -12.5110 -12.5110 -12.5101 -12.5101 -4.1557 -4.1557 -4.1538 -4.1538 -2.7353 -2.7353 -2.7320 -2.7320 -1.7761 -1.7761 -1.7713 -1.7713 -0.2093 -0.2093 -0.1715 -0.1715 0.2571 0.2571 0.2947 0.2947 2.3098 2.3098 2.3123 2.3123 7.8510 7.8510 7.8525 7.8525 k = 0.1293 0.6151 0.2560 ( 6342 PWs) bands (ev): -14.8663 -14.8663 -14.8654 -14.8654 -12.5103 -12.5103 -12.5095 -12.5095 -4.1547 -4.1547 -4.1528 -4.1528 -2.7277 -2.7277 -2.7245 -2.7245 -1.7899 -1.7899 -1.7851 -1.7851 -0.2092 -0.2092 -0.1727 -0.1727 0.2524 0.2524 0.2888 0.2888 2.3128 2.3128 2.3152 2.3152 7.9027 7.9027 7.9043 7.9043 k = 0.1436 0.6151 0.2560 ( 6344 PWs) bands (ev): -14.8667 -14.8667 -14.8658 -14.8658 -12.5096 -12.5096 -12.5087 -12.5087 -4.1536 -4.1536 -4.1518 -4.1518 -2.7194 -2.7194 -2.7163 -2.7163 -1.8045 -1.8045 -1.7999 -1.7999 -0.2092 -0.2092 -0.1742 -0.1742 0.2473 0.2473 0.2822 0.2822 2.3161 2.3161 2.3184 2.3184 7.9593 7.9593 7.9610 7.9610 k = 0.1580 0.6151 0.2560 ( 6342 PWs) bands (ev): -14.8672 -14.8672 -14.8663 -14.8663 -12.5088 -12.5088 -12.5079 -12.5079 -4.1523 -4.1523 -4.1507 -4.1507 -2.7103 -2.7103 -2.7073 -2.7073 -1.8198 -1.8198 -1.8154 -1.8154 -0.2094 -0.2094 -0.1760 -0.1760 0.2419 0.2419 0.2751 0.2751 2.3197 2.3197 2.3219 2.3219 8.0204 8.0204 8.0222 8.0222 k = 0.1724 0.6151 0.2560 ( 6340 PWs) bands (ev): -14.8677 -14.8677 -14.8668 -14.8668 -12.5079 -12.5079 -12.5071 -12.5071 -4.1510 -4.1510 -4.1495 -4.1495 -2.7004 -2.7004 -2.6976 -2.6976 -1.8356 -1.8356 -1.8314 -1.8314 -0.2096 -0.2096 -0.1782 -0.1782 0.2362 0.2362 0.2676 0.2676 2.3235 2.3235 2.3256 2.3256 8.0853 8.0853 8.0871 8.0871 k = 0.1867 0.6151 0.2560 ( 6342 PWs) bands (ev): -14.8683 -14.8683 -14.8674 -14.8674 -12.5070 -12.5070 -12.5062 -12.5062 -4.1496 -4.1496 -4.1481 -4.1481 -2.6899 -2.6899 -2.6872 -2.6872 -1.8516 -1.8516 -1.8476 -1.8476 -0.2101 -0.2101 -0.1807 -0.1807 0.2302 0.2302 0.2595 0.2595 2.3276 2.3276 2.3296 2.3296 8.1532 8.1532 8.1551 8.1551 k = 0.2011 0.6151 0.2560 ( 6354 PWs) bands (ev): -14.8689 -14.8689 -14.8680 -14.8680 -12.5061 -12.5061 -12.5053 -12.5053 -4.1481 -4.1481 -4.1467 -4.1467 -2.6788 -2.6788 -2.6762 -2.6762 -1.8677 -1.8677 -1.8640 -1.8640 -0.2107 -0.2107 -0.1837 -0.1837 0.2241 0.2241 0.2511 0.2511 2.3320 2.3320 2.3338 2.3338 8.2230 8.2230 8.2249 8.2249 k = 0.2154 0.6151 0.2560 ( 6354 PWs) bands (ev): -14.8697 -14.8697 -14.8688 -14.8688 -12.5051 -12.5051 -12.5043 -12.5043 -4.1465 -4.1465 -4.1452 -4.1452 -2.6670 -2.6670 -2.6646 -2.6646 -1.8836 -1.8836 -1.8802 -1.8802 -0.2115 -0.2115 -0.1871 -0.1871 0.2179 0.2179 0.2423 0.2423 2.3365 2.3365 2.3382 2.3382 8.2935 8.2935 8.2954 8.2954 k = 0.2298 0.6151 0.2560 ( 6358 PWs) bands (ev): -14.8705 -14.8705 -14.8696 -14.8696 -12.5041 -12.5041 -12.5033 -12.5033 -4.1448 -4.1448 -4.1437 -4.1437 -2.6547 -2.6547 -2.6526 -2.6526 -1.8992 -1.8992 -1.8961 -1.8961 -0.2124 -0.2124 -0.1908 -0.1908 0.2116 0.2116 0.2332 0.2332 2.3413 2.3413 2.3429 2.3429 8.3630 8.3630 8.3647 8.3647 k = 0.2442 0.6151 0.2560 ( 6352 PWs) bands (ev): -14.8714 -14.8714 -14.8705 -14.8705 -12.5031 -12.5031 -12.5022 -12.5022 -4.1430 -4.1430 -4.1420 -4.1420 -2.6420 -2.6420 -2.6400 -2.6400 -1.9141 -1.9141 -1.9114 -1.9114 -0.2134 -0.2134 -0.1949 -0.1949 0.2053 0.2053 0.2238 0.2238 2.3463 2.3463 2.3476 2.3476 8.4292 8.4292 8.4308 8.4308 k = 0.2585 0.6151 0.2560 ( 6350 PWs) bands (ev): -14.8724 -14.8724 -14.8715 -14.8715 -12.5020 -12.5020 -12.5012 -12.5012 -4.1411 -4.1411 -4.1402 -4.1402 -2.6288 -2.6288 -2.6271 -2.6271 -1.9283 -1.9283 -1.9260 -1.9260 -0.2146 -0.2146 -0.1993 -0.1993 0.1990 0.1990 0.2142 0.2142 2.3514 2.3514 2.3526 2.3526 8.4897 8.4897 8.4910 8.4910 k = 0.2729 0.6151 0.2560 ( 6344 PWs) bands (ev): -14.8735 -14.8735 -14.8726 -14.8726 -12.5009 -12.5009 -12.5001 -12.5001 -4.1391 -4.1391 -4.1384 -4.1384 -2.6152 -2.6152 -2.6138 -2.6138 -1.9415 -1.9415 -1.9396 -1.9396 -0.2158 -0.2158 -0.2041 -0.2041 0.1927 0.1927 0.2045 0.2045 2.3567 2.3567 2.3576 2.3576 8.5416 8.5416 8.5426 8.5426 k = 0.2873 0.6151 0.2560 ( 6350 PWs) bands (ev): -14.8748 -14.8748 -14.8739 -14.8739 -12.4998 -12.4998 -12.4990 -12.4990 -4.1371 -4.1371 -4.1364 -4.1364 -2.6013 -2.6013 -2.6002 -2.6002 -1.9535 -1.9535 -1.9521 -1.9521 -0.2172 -0.2172 -0.2091 -0.2091 0.1866 0.1866 0.1946 0.1946 2.3620 2.3620 2.3628 2.3628 8.5823 8.5823 8.5830 8.5830 k = 0.3016 0.6151 0.2560 ( 6352 PWs) bands (ev): -14.8761 -14.8761 -14.8752 -14.8752 -12.4988 -12.4988 -12.4979 -12.4979 -4.1350 -4.1350 -4.1344 -4.1344 -2.5872 -2.5872 -2.5864 -2.5864 -1.9643 -1.9643 -1.9633 -1.9633 -0.2185 -0.2185 -0.2144 -0.2144 0.1806 0.1806 0.1848 0.1848 2.3674 2.3674 2.3681 2.3681 8.6099 8.6099 8.6103 8.6103 k = 0.3160 0.6151 0.2560 ( 6352 PWs) bands (ev): -14.8776 -14.8776 -14.8766 -14.8766 -12.4977 -12.4977 -12.4968 -12.4968 -4.1329 -4.1329 -4.1322 -4.1322 -2.5730 -2.5730 -2.5723 -2.5723 -1.9737 -1.9737 -1.9730 -1.9730 -0.2202 -0.2202 -0.2196 -0.2196 0.1745 0.1745 0.1751 0.1751 2.3729 2.3729 2.3734 2.3734 8.6237 8.6237 8.6241 8.6241 k = 0.3160 0.6151 0.2560 ( 6352 PWs) bands (ev): -14.8776 -14.8776 -14.8766 -14.8766 -12.4977 -12.4977 -12.4968 -12.4968 -4.1329 -4.1329 -4.1322 -4.1322 -2.5730 -2.5730 -2.5723 -2.5723 -1.9737 -1.9737 -1.9730 -1.9730 -0.2202 -0.2202 -0.2196 -0.2196 0.1745 0.1745 0.1751 0.1751 2.3729 2.3729 2.3734 2.3734 8.6237 8.6237 8.6241 8.6241 k = 0.3093 0.6020 0.2560 ( 6344 PWs) bands (ev): -14.8743 -14.8743 -14.8734 -14.8734 -12.5000 -12.5000 -12.4992 -12.4992 -4.1375 -4.1375 -4.1368 -4.1368 -2.6037 -2.6037 -2.6031 -2.6031 -1.9537 -1.9537 -1.9530 -1.9530 -0.2127 -0.2127 -0.2120 -0.2120 0.1916 0.1916 0.1922 0.1922 2.3608 2.3608 2.3613 2.3613 8.6084 8.6084 8.6088 8.6088 k = 0.3025 0.5889 0.2560 ( 6338 PWs) bands (ev): -14.8715 -14.8715 -14.8706 -14.8706 -12.5023 -12.5023 -12.5015 -12.5015 -4.1415 -4.1415 -4.1408 -4.1408 -2.6320 -2.6320 -2.6313 -2.6313 -1.9331 -1.9331 -1.9324 -1.9324 -0.2055 -0.2055 -0.2049 -0.2049 0.2078 0.2078 0.2084 0.2084 2.3490 2.3490 2.3496 2.3496 8.5949 8.5949 8.5952 8.5952 k = 0.2958 0.5758 0.2560 ( 6344 PWs) bands (ev): -14.8691 -14.8691 -14.8682 -14.8682 -12.5044 -12.5044 -12.5035 -12.5035 -4.1449 -4.1449 -4.1443 -4.1443 -2.6573 -2.6573 -2.6566 -2.6566 -1.9122 -1.9122 -1.9115 -1.9115 -0.1987 -0.1987 -0.1980 -0.1980 0.2229 0.2229 0.2235 0.2235 2.3379 2.3379 2.3384 2.3384 8.5831 8.5831 8.5835 8.5835 k = 0.2891 0.5627 0.2560 ( 6336 PWs) bands (ev): -14.8671 -14.8671 -14.8661 -14.8661 -12.5063 -12.5063 -12.5055 -12.5055 -4.1479 -4.1479 -4.1473 -4.1473 -2.6795 -2.6795 -2.6788 -2.6788 -1.8912 -1.8912 -1.8904 -1.8904 -0.1922 -0.1922 -0.1915 -0.1915 0.2365 0.2365 0.2371 0.2371 2.3277 2.3277 2.3283 2.3283 8.5733 8.5733 8.5736 8.5736 k = 0.2824 0.5496 0.2560 ( 6340 PWs) bands (ev): -14.8655 -14.8655 -14.8646 -14.8646 -12.5080 -12.5080 -12.5072 -12.5072 -4.1504 -4.1504 -4.1498 -4.1498 -2.6982 -2.6982 -2.6975 -2.6975 -1.8702 -1.8702 -1.8694 -1.8694 -0.1859 -0.1859 -0.1853 -0.1853 0.2486 0.2486 0.2492 0.2492 2.3188 2.3188 2.3193 2.3193 8.5654 8.5654 8.5657 8.5657 k = 0.2756 0.5365 0.2560 ( 6336 PWs) bands (ev): -14.8644 -14.8644 -14.8635 -14.8635 -12.5096 -12.5096 -12.5087 -12.5087 -4.1525 -4.1525 -4.1519 -4.1519 -2.7133 -2.7133 -2.7127 -2.7127 -1.8493 -1.8493 -1.8486 -1.8486 -0.1799 -0.1799 -0.1793 -0.1793 0.2589 0.2589 0.2595 0.2595 2.3113 2.3113 2.3119 2.3119 8.5595 8.5595 8.5599 8.5599 k = 0.2689 0.5235 0.2560 ( 6324 PWs) bands (ev): -14.8638 -14.8638 -14.8629 -14.8629 -12.5109 -12.5109 -12.5101 -12.5101 -4.1543 -4.1543 -4.1536 -4.1536 -2.7247 -2.7247 -2.7240 -2.7240 -1.8288 -1.8288 -1.8280 -1.8280 -0.1741 -0.1741 -0.1735 -0.1735 0.2673 0.2673 0.2679 0.2679 2.3056 2.3056 2.3061 2.3061 8.5557 8.5557 8.5561 8.5561 k = 0.2622 0.5104 0.2560 ( 6320 PWs) bands (ev): -14.8638 -14.8638 -14.8628 -14.8628 -12.5120 -12.5120 -12.5112 -12.5112 -4.1557 -4.1557 -4.1550 -4.1550 -2.7321 -2.7321 -2.7314 -2.7314 -1.8087 -1.8087 -1.8079 -1.8079 -0.1685 -0.1685 -0.1679 -0.1679 0.2737 0.2737 0.2743 0.2743 2.3017 2.3017 2.3023 2.3023 8.5540 8.5540 8.5544 8.5544 k = 0.2555 0.4973 0.2560 ( 6324 PWs) bands (ev): -14.8642 -14.8642 -14.8633 -14.8633 -12.5129 -12.5129 -12.5121 -12.5121 -4.1568 -4.1568 -4.1561 -4.1561 -2.7355 -2.7355 -2.7348 -2.7348 -1.7891 -1.7891 -1.7883 -1.7883 -0.1631 -0.1631 -0.1624 -0.1624 0.2780 0.2780 0.2786 0.2786 2.2998 2.2998 2.3004 2.3004 8.5545 8.5545 8.5549 8.5549 k = 0.2488 0.4842 0.2560 ( 6332 PWs) bands (ev): -14.8651 -14.8651 -14.8642 -14.8642 -12.5136 -12.5136 -12.5127 -12.5127 -4.1575 -4.1575 -4.1569 -4.1569 -2.7348 -2.7348 -2.7342 -2.7342 -1.7701 -1.7701 -1.7694 -1.7694 -0.1579 -0.1579 -0.1572 -0.1572 0.2802 0.2802 0.2808 0.2808 2.3000 2.3000 2.3005 2.3005 8.5560 8.5560 8.5563 8.5563 k = 0.2420 0.4711 0.2560 ( 6348 PWs) bands (ev): -14.8665 -14.8665 -14.8656 -14.8656 -12.5140 -12.5140 -12.5132 -12.5132 -4.1580 -4.1580 -4.1574 -4.1574 -2.7301 -2.7301 -2.7294 -2.7294 -1.7518 -1.7518 -1.7511 -1.7511 -0.1530 -0.1530 -0.1523 -0.1523 0.2804 0.2804 0.2810 0.2810 2.3022 2.3022 2.3028 2.3028 8.4945 8.4945 8.4949 8.4949 k = 0.2353 0.4580 0.2560 ( 6338 PWs) bands (ev): -14.8685 -14.8685 -14.8676 -14.8676 -12.5142 -12.5142 -12.5134 -12.5134 -4.1581 -4.1581 -4.1575 -4.1575 -2.7214 -2.7214 -2.7207 -2.7207 -1.7343 -1.7343 -1.7336 -1.7336 -0.1482 -0.1482 -0.1476 -0.1476 0.2786 0.2786 0.2792 0.2792 2.3064 2.3064 2.3070 2.3070 8.3912 8.3912 8.3917 8.3917 k = 0.2286 0.4449 0.2560 ( 6332 PWs) bands (ev): -14.8709 -14.8709 -14.8700 -14.8700 -12.5142 -12.5142 -12.5134 -12.5134 -4.1579 -4.1579 -4.1573 -4.1573 -2.7086 -2.7086 -2.7079 -2.7079 -1.7176 -1.7176 -1.7169 -1.7169 -0.1439 -0.1439 -0.1432 -0.1432 0.2750 0.2750 0.2756 0.2756 2.3126 2.3126 2.3132 2.3132 8.2884 8.2884 8.2888 8.2888 k = 0.2219 0.4319 0.2560 ( 6340 PWs) bands (ev): -14.8738 -14.8738 -14.8729 -14.8729 -12.5140 -12.5140 -12.5131 -12.5131 -4.1573 -4.1573 -4.1567 -4.1567 -2.6919 -2.6919 -2.6913 -2.6913 -1.7018 -1.7018 -1.7011 -1.7011 -0.1399 -0.1399 -0.1392 -0.1392 0.2698 0.2698 0.2704 0.2704 2.3205 2.3205 2.3211 2.3211 8.1867 8.1867 8.1871 8.1871 k = 0.2151 0.4188 0.2560 ( 6348 PWs) bands (ev): -14.8772 -14.8772 -14.8763 -14.8763 -12.5136 -12.5136 -12.5127 -12.5127 -4.1563 -4.1563 -4.1556 -4.1556 -2.6715 -2.6715 -2.6708 -2.6708 -1.6869 -1.6869 -1.6861 -1.6861 -0.1364 -0.1364 -0.1357 -0.1357 0.2631 0.2631 0.2638 0.2638 2.3300 2.3300 2.3306 2.3306 8.0864 8.0864 8.0868 8.0868 k = 0.2084 0.4057 0.2560 ( 6338 PWs) bands (ev): -14.8810 -14.8810 -14.8801 -14.8801 -12.5129 -12.5129 -12.5121 -12.5121 -4.1548 -4.1548 -4.1541 -4.1541 -2.6474 -2.6474 -2.6467 -2.6467 -1.6729 -1.6729 -1.6722 -1.6722 -0.1335 -0.1335 -0.1329 -0.1329 0.2554 0.2554 0.2561 0.2561 2.3408 2.3408 2.3413 2.3413 7.9877 7.9877 7.9881 7.9881 k = 0.2017 0.3926 0.2560 ( 6342 PWs) bands (ev): -14.8852 -14.8852 -14.8843 -14.8843 -12.5121 -12.5121 -12.5113 -12.5113 -4.1527 -4.1527 -4.1521 -4.1521 -2.6198 -2.6198 -2.6192 -2.6192 -1.6599 -1.6599 -1.6591 -1.6591 -0.1315 -0.1315 -0.1308 -0.1308 0.2470 0.2470 0.2476 0.2476 2.3526 2.3526 2.3532 2.3532 7.8907 7.8907 7.8911 7.8911 k = 0.1950 0.3795 0.2560 ( 6336 PWs) bands (ev): -14.8898 -14.8898 -14.8889 -14.8889 -12.5111 -12.5111 -12.5103 -12.5103 -4.1501 -4.1501 -4.1494 -4.1494 -2.5890 -2.5890 -2.5883 -2.5883 -1.6478 -1.6478 -1.6470 -1.6470 -0.1304 -0.1304 -0.1298 -0.1298 0.2381 0.2381 0.2387 0.2387 2.3651 2.3651 2.3657 2.3657 7.7956 7.7956 7.7960 7.7960 k = 0.1882 0.3664 0.2560 ( 6328 PWs) bands (ev): -14.8948 -14.8948 -14.8939 -14.8939 -12.5100 -12.5100 -12.5092 -12.5092 -4.1468 -4.1468 -4.1462 -4.1462 -2.5550 -2.5550 -2.5544 -2.5544 -1.6366 -1.6366 -1.6358 -1.6358 -0.1305 -0.1305 -0.1298 -0.1298 0.2292 0.2292 0.2298 0.2298 2.3781 2.3781 2.3787 2.3787 7.7025 7.7025 7.7029 7.7029 k = 0.1815 0.3533 0.2560 ( 6344 PWs) bands (ev): -14.9000 -14.9000 -14.8991 -14.8991 -12.5087 -12.5087 -12.5079 -12.5079 -4.1429 -4.1429 -4.1423 -4.1423 -2.5183 -2.5183 -2.5176 -2.5176 -1.6263 -1.6263 -1.6255 -1.6255 -0.1319 -0.1319 -0.1313 -0.1313 0.2207 0.2207 0.2213 0.2213 2.3911 2.3911 2.3917 2.3917 7.6116 7.6116 7.6120 7.6120 k = 0.1748 0.3402 0.2560 ( 6336 PWs) bands (ev): -14.9056 -14.9056 -14.9047 -14.9047 -12.5073 -12.5073 -12.5065 -12.5065 -4.1384 -4.1384 -4.1377 -4.1377 -2.4789 -2.4789 -2.4782 -2.4782 -1.6169 -1.6169 -1.6161 -1.6161 -0.1349 -0.1349 -0.1343 -0.1343 0.2129 0.2129 0.2135 0.2135 2.4039 2.4039 2.4044 2.4044 7.5231 7.5231 7.5235 7.5235 k = 0.1681 0.3272 0.2560 ( 6332 PWs) bands (ev): -14.9114 -14.9114 -14.9105 -14.9105 -12.5058 -12.5058 -12.5050 -12.5050 -4.1331 -4.1331 -4.1325 -4.1325 -2.4371 -2.4371 -2.4365 -2.4365 -1.6082 -1.6082 -1.6074 -1.6074 -0.1396 -0.1396 -0.1389 -0.1389 0.2061 0.2061 0.2067 0.2067 2.4161 2.4161 2.4166 2.4166 7.4370 7.4370 7.4375 7.4375 k = 0.1614 0.3141 0.2560 ( 6328 PWs) bands (ev): -14.9174 -14.9174 -14.9165 -14.9165 -12.5042 -12.5042 -12.5034 -12.5034 -4.1271 -4.1271 -4.1265 -4.1265 -2.3934 -2.3934 -2.3927 -2.3927 -1.6002 -1.6002 -1.5995 -1.5995 -0.1459 -0.1459 -0.1453 -0.1453 0.2006 0.2006 0.2012 0.2012 2.4273 2.4273 2.4278 2.4278 7.3537 7.3537 7.3541 7.3541 k = 0.1546 0.3010 0.2560 ( 6332 PWs) bands (ev): -14.9236 -14.9236 -14.9227 -14.9227 -12.5026 -12.5026 -12.5017 -12.5017 -4.1204 -4.1204 -4.1198 -4.1198 -2.3478 -2.3478 -2.3471 -2.3471 -1.5929 -1.5929 -1.5921 -1.5921 -0.1541 -0.1541 -0.1534 -0.1534 0.1965 0.1965 0.1971 0.1971 2.4373 2.4373 2.4378 2.4378 7.2732 7.2732 7.2736 7.2736 k = 0.1479 0.2879 0.2560 ( 6336 PWs) bands (ev): -14.9299 -14.9299 -14.9290 -14.9290 -12.5008 -12.5008 -12.5000 -12.5000 -4.1131 -4.1131 -4.1125 -4.1125 -2.3008 -2.3008 -2.3001 -2.3001 -1.5861 -1.5861 -1.5853 -1.5853 -0.1639 -0.1639 -0.1632 -0.1632 0.1939 0.1939 0.1945 0.1945 2.4457 2.4457 2.4463 2.4463 7.1957 7.1957 7.1962 7.1962 k = 0.1412 0.2748 0.2560 ( 6338 PWs) bands (ev): -14.9363 -14.9363 -14.9354 -14.9354 -12.4991 -12.4991 -12.4983 -12.4983 -4.1052 -4.1052 -4.1045 -4.1045 -2.2527 -2.2527 -2.2520 -2.2520 -1.5797 -1.5797 -1.5789 -1.5789 -0.1751 -0.1751 -0.1745 -0.1745 0.1927 0.1927 0.1933 0.1933 2.4524 2.4524 2.4529 2.4529 7.1214 7.1214 7.1219 7.1219 k = 0.1345 0.2617 0.2560 ( 6328 PWs) bands (ev): -14.9427 -14.9427 -14.9418 -14.9418 -12.4973 -12.4973 -12.4965 -12.4965 -4.0966 -4.0966 -4.0960 -4.0960 -2.2038 -2.2038 -2.2032 -2.2032 -1.5735 -1.5735 -1.5727 -1.5727 -0.1877 -0.1877 -0.1871 -0.1871 0.1928 0.1928 0.1935 0.1935 2.4570 2.4570 2.4576 2.4576 7.0505 7.0505 7.0510 7.0510 k = 0.1277 0.2486 0.2560 ( 6332 PWs) bands (ev): -14.9491 -14.9491 -14.9482 -14.9482 -12.4956 -12.4956 -12.4948 -12.4948 -4.0875 -4.0875 -4.0869 -4.0869 -2.1547 -2.1547 -2.1540 -2.1540 -1.5673 -1.5673 -1.5666 -1.5666 -0.2012 -0.2012 -0.2006 -0.2006 0.1941 0.1941 0.1948 0.1948 2.4595 2.4595 2.4600 2.4600 6.9831 6.9831 6.9836 6.9836 k = 0.1210 0.2356 0.2560 ( 6328 PWs) bands (ev): -14.9555 -14.9555 -14.9546 -14.9546 -12.4938 -12.4938 -12.4930 -12.4930 -4.0780 -4.0780 -4.0774 -4.0774 -2.1057 -2.1057 -2.1050 -2.1050 -1.5611 -1.5611 -1.5603 -1.5603 -0.2155 -0.2155 -0.2149 -0.2149 0.1964 0.1964 0.1971 0.1971 2.4597 2.4597 2.4602 2.4602 6.9194 6.9194 6.9198 6.9198 k = 0.1143 0.2225 0.2560 ( 6332 PWs) bands (ev): -14.9617 -14.9617 -14.9609 -14.9609 -12.4921 -12.4921 -12.4913 -12.4913 -4.0681 -4.0681 -4.0675 -4.0675 -2.0574 -2.0574 -2.0567 -2.0567 -1.5544 -1.5544 -1.5536 -1.5536 -0.2302 -0.2302 -0.2296 -0.2296 0.1996 0.1996 0.2003 0.2003 2.4574 2.4574 2.4579 2.4579 6.8594 6.8594 6.8598 6.8598 k = 0.1076 0.2094 0.2560 ( 6336 PWs) bands (ev): -14.9679 -14.9679 -14.9670 -14.9670 -12.4904 -12.4904 -12.4896 -12.4896 -4.0580 -4.0580 -4.0573 -4.0573 -2.0102 -2.0102 -2.0096 -2.0096 -1.5470 -1.5470 -1.5463 -1.5463 -0.2451 -0.2451 -0.2445 -0.2445 0.2033 0.2033 0.2040 0.2040 2.4528 2.4528 2.4533 2.4533 6.8033 6.8033 6.8037 6.8037 k = 0.1008 0.1963 0.2560 ( 6336 PWs) bands (ev): -14.9739 -14.9739 -14.9730 -14.9730 -12.4888 -12.4888 -12.4880 -12.4880 -4.0476 -4.0476 -4.0470 -4.0470 -1.9650 -1.9650 -1.9643 -1.9643 -1.5386 -1.5386 -1.5379 -1.5379 -0.2599 -0.2599 -0.2593 -0.2593 0.2075 0.2075 0.2082 0.2082 2.4459 2.4459 2.4464 2.4464 6.7511 6.7511 6.7515 6.7515 k = 0.0941 0.1832 0.2560 ( 6336 PWs) bands (ev): -14.9797 -14.9797 -14.9788 -14.9788 -12.4872 -12.4872 -12.4864 -12.4864 -4.0372 -4.0372 -4.0366 -4.0366 -1.9223 -1.9223 -1.9216 -1.9216 -1.5288 -1.5288 -1.5281 -1.5281 -0.2743 -0.2743 -0.2737 -0.2737 0.2120 0.2120 0.2127 0.2127 2.4367 2.4367 2.4372 2.4372 6.7029 6.7029 6.7033 6.7033 k = 0.0874 0.1701 0.2560 ( 6338 PWs) bands (ev): -14.9852 -14.9852 -14.9844 -14.9844 -12.4857 -12.4857 -12.4849 -12.4849 -4.0268 -4.0268 -4.0262 -4.0262 -1.8829 -1.8829 -1.8822 -1.8822 -1.5172 -1.5172 -1.5165 -1.5165 -0.2883 -0.2883 -0.2877 -0.2877 0.2166 0.2166 0.2173 0.2173 2.4256 2.4256 2.4261 2.4261 6.6586 6.6586 6.6590 6.6590 k = 0.0807 0.1570 0.2560 ( 6330 PWs) bands (ev): -14.9905 -14.9905 -14.9896 -14.9896 -12.4843 -12.4843 -12.4835 -12.4835 -4.0166 -4.0166 -4.0159 -4.0159 -1.8474 -1.8474 -1.8467 -1.8467 -1.5034 -1.5034 -1.5027 -1.5027 -0.3016 -0.3016 -0.3010 -0.3010 0.2213 0.2213 0.2220 0.2220 2.4127 2.4127 2.4132 2.4132 6.6183 6.6183 6.6187 6.6187 k = 0.0740 0.1440 0.2560 ( 6330 PWs) bands (ev): -14.9955 -14.9955 -14.9946 -14.9946 -12.4830 -12.4830 -12.4822 -12.4822 -4.0066 -4.0066 -4.0060 -4.0060 -1.8163 -1.8163 -1.8157 -1.8157 -1.4874 -1.4874 -1.4867 -1.4867 -0.3140 -0.3140 -0.3134 -0.3134 0.2259 0.2259 0.2266 0.2266 2.3984 2.3984 2.3989 2.3989 6.5819 6.5819 6.5823 6.5823 k = 0.0672 0.1309 0.2560 ( 6322 PWs) bands (ev): -15.0002 -15.0002 -14.9993 -14.9993 -12.4817 -12.4817 -12.4809 -12.4809 -3.9970 -3.9970 -3.9964 -3.9964 -1.7900 -1.7900 -1.7893 -1.7893 -1.4691 -1.4691 -1.4685 -1.4685 -0.3255 -0.3255 -0.3249 -0.3249 0.2303 0.2303 0.2310 0.2310 2.3831 2.3831 2.3836 2.3836 6.5492 6.5492 6.5497 6.5497 k = 0.0605 0.1178 0.2560 ( 6314 PWs) bands (ev): -15.0045 -15.0045 -15.0036 -15.0036 -12.4806 -12.4806 -12.4798 -12.4798 -3.9880 -3.9880 -3.9873 -3.9873 -1.7684 -1.7684 -1.7677 -1.7677 -1.4491 -1.4491 -1.4484 -1.4484 -0.3360 -0.3360 -0.3354 -0.3354 0.2345 0.2345 0.2352 0.2352 2.3672 2.3672 2.3677 2.3677 6.5203 6.5203 6.5207 6.5207 k = 0.0538 0.1047 0.2560 ( 6310 PWs) bands (ev): -15.0084 -15.0084 -15.0075 -15.0075 -12.4796 -12.4796 -12.4788 -12.4788 -3.9795 -3.9795 -3.9789 -3.9789 -1.7510 -1.7510 -1.7503 -1.7503 -1.4280 -1.4280 -1.4273 -1.4273 -0.3453 -0.3453 -0.3447 -0.3447 0.2384 0.2384 0.2392 0.2392 2.3512 2.3512 2.3517 2.3517 6.4949 6.4949 6.4953 6.4953 k = 0.0471 0.0916 0.2560 ( 6304 PWs) bands (ev): -15.0119 -15.0119 -15.0110 -15.0110 -12.4787 -12.4787 -12.4779 -12.4779 -3.9718 -3.9718 -3.9711 -3.9711 -1.7375 -1.7375 -1.7367 -1.7367 -1.4067 -1.4067 -1.4061 -1.4061 -0.3535 -0.3535 -0.3529 -0.3529 0.2420 0.2420 0.2427 0.2427 2.3355 2.3355 2.3361 2.3361 6.4730 6.4730 6.4734 6.4734 k = 0.0403 0.0785 0.2560 ( 6304 PWs) bands (ev): -15.0150 -15.0150 -15.0141 -15.0141 -12.4779 -12.4779 -12.4771 -12.4771 -3.9648 -3.9648 -3.9642 -3.9642 -1.7270 -1.7270 -1.7263 -1.7263 -1.3862 -1.3862 -1.3856 -1.3856 -0.3605 -0.3605 -0.3599 -0.3599 0.2452 0.2452 0.2459 0.2459 2.3207 2.3207 2.3212 2.3212 6.4543 6.4543 6.4547 6.4547 k = 0.0336 0.0654 0.2560 ( 6312 PWs) bands (ev): -15.0176 -15.0176 -15.0167 -15.0167 -12.4772 -12.4772 -12.4764 -12.4764 -3.9588 -3.9588 -3.9582 -3.9582 -1.7191 -1.7191 -1.7184 -1.7184 -1.3674 -1.3674 -1.3668 -1.3668 -0.3663 -0.3663 -0.3657 -0.3657 0.2479 0.2479 0.2486 0.2486 2.3072 2.3072 2.3077 2.3077 6.4388 6.4388 6.4392 6.4392 k = 0.0269 0.0523 0.2560 ( 6318 PWs) bands (ev): -15.0198 -15.0198 -15.0189 -15.0189 -12.4767 -12.4767 -12.4759 -12.4759 -3.9538 -3.9538 -3.9531 -3.9531 -1.7132 -1.7132 -1.7125 -1.7125 -1.3510 -1.3510 -1.3504 -1.3504 -0.3710 -0.3710 -0.3704 -0.3704 0.2502 0.2502 0.2509 0.2509 2.2955 2.2955 2.2960 2.2960 6.4263 6.4263 6.4267 6.4267 k = 0.0202 0.0393 0.2560 ( 6314 PWs) bands (ev): -15.0215 -15.0215 -15.0206 -15.0206 -12.4762 -12.4762 -12.4754 -12.4754 -3.9498 -3.9498 -3.9491 -3.9491 -1.7091 -1.7091 -1.7083 -1.7083 -1.3376 -1.3376 -1.3370 -1.3370 -0.3745 -0.3745 -0.3740 -0.3740 0.2519 0.2519 0.2526 0.2526 2.2859 2.2859 2.2864 2.2864 6.4167 6.4167 6.4171 6.4171 k = 0.0134 0.0262 0.2560 ( 6310 PWs) bands (ev): -15.0227 -15.0227 -15.0218 -15.0218 -12.4759 -12.4759 -12.4751 -12.4751 -3.9469 -3.9469 -3.9462 -3.9462 -1.7063 -1.7063 -1.7055 -1.7055 -1.3278 -1.3278 -1.3272 -1.3272 -0.3771 -0.3771 -0.3765 -0.3765 0.2532 0.2532 0.2539 0.2539 2.2788 2.2788 2.2793 2.2793 6.4099 6.4099 6.4103 6.4103 k = 0.0067 0.0131 0.2560 ( 6322 PWs) bands (ev): -15.0234 -15.0234 -15.0226 -15.0226 -12.4757 -12.4757 -12.4749 -12.4749 -3.9451 -3.9451 -3.9445 -3.9445 -1.7047 -1.7047 -1.7039 -1.7039 -1.3217 -1.3217 -1.3212 -1.3212 -0.3786 -0.3786 -0.3780 -0.3780 0.2540 0.2540 0.2547 0.2547 2.2745 2.2745 2.2750 2.2750 6.4059 6.4059 6.4063 6.4063 k = 0.0000 0.0000 0.2560 ( 6310 PWs) bands (ev): -15.0237 -15.0237 -15.0228 -15.0228 -12.4757 -12.4757 -12.4749 -12.4749 -3.9446 -3.9446 -3.9439 -3.9439 -1.7041 -1.7041 -1.7034 -1.7034 -1.3197 -1.3197 -1.3191 -1.3191 -0.3790 -0.3790 -0.3785 -0.3785 0.2543 0.2543 0.2550 0.2550 2.2730 2.2730 2.2735 2.2735 6.4045 6.4045 6.4049 6.4049 k = 0.0000 0.0000 0.2560 ( 6310 PWs) bands (ev): -15.0237 -15.0237 -15.0228 -15.0228 -12.4757 -12.4757 -12.4749 -12.4749 -3.9446 -3.9446 -3.9439 -3.9439 -1.7041 -1.7041 -1.7034 -1.7034 -1.3197 -1.3197 -1.3191 -1.3191 -0.3790 -0.3790 -0.3785 -0.3785 0.2543 0.2543 0.2550 0.2550 2.2730 2.2730 2.2735 2.2735 6.4045 6.4045 6.4049 6.4049 k = 0.0000 0.0000 0.2418 ( 6316 PWs) bands (ev): -15.0415 -15.0415 -15.0045 -15.0045 -12.5130 -12.5130 -12.4378 -12.4378 -4.0026 -4.0026 -3.8847 -3.8847 -1.7136 -1.7136 -1.6957 -1.6957 -1.3394 -1.3394 -1.2977 -1.2977 -0.4241 -0.4241 -0.3345 -0.3345 0.2330 0.2330 0.2769 0.2769 2.2231 2.2231 2.3241 2.3241 6.3622 6.3622 6.4462 6.4462 k = 0.0000 0.0000 0.2276 ( 6300 PWs) bands (ev): -15.0593 -15.0593 -14.9854 -14.9854 -12.5508 -12.5508 -12.4008 -12.4008 -4.0596 -4.0596 -3.8245 -3.8245 -1.7246 -1.7246 -1.6900 -1.6900 -1.3566 -1.3566 -1.2752 -1.2752 -0.4694 -0.4694 -0.2922 -0.2922 0.2127 0.2127 0.2996 0.2996 2.1739 2.1739 2.3754 2.3754 6.3191 6.3191 6.4863 6.4863 k = 0.0000 0.0000 0.2134 ( 6300 PWs) bands (ev): -15.0764 -15.0764 -14.9662 -14.9662 -12.5883 -12.5883 -12.3646 -12.3646 -4.1149 -4.1149 -3.7638 -3.7638 -1.7364 -1.7364 -1.6871 -1.6871 -1.3705 -1.3705 -1.2529 -1.2529 -0.5139 -0.5139 -0.2528 -0.2528 0.1944 0.1944 0.3221 0.3221 2.1259 2.1259 2.4268 2.4268 6.2757 6.2757 6.5245 6.5245 k = 0.0000 0.0000 0.1991 ( 6292 PWs) bands (ev): -15.0927 -15.0927 -14.9468 -14.9468 -12.6253 -12.6253 -12.3294 -12.3294 -4.1681 -4.1681 -3.7031 -3.7031 -1.7486 -1.7486 -1.6874 -1.6874 -1.3803 -1.3803 -1.2319 -1.2319 -0.5564 -0.5564 -0.2175 -0.2175 0.1791 0.1791 0.3443 0.3443 2.0793 2.0793 2.4779 2.4779 6.2323 6.2323 6.5606 6.5606 k = 0.0000 0.0000 0.1849 ( 6280 PWs) bands (ev): -15.1082 -15.1082 -14.9276 -14.9276 -12.6615 -12.6615 -12.2954 -12.2954 -4.2191 -4.2191 -3.6427 -3.6427 -1.7609 -1.7609 -1.6911 -1.6911 -1.3860 -1.3860 -1.2133 -1.2133 -0.5958 -0.5958 -0.1875 -0.1875 0.1677 0.1677 0.3659 0.3659 2.0343 2.0343 2.5286 2.5286 6.1894 6.1894 6.5940 6.5940 k = 0.0000 0.0000 0.1707 ( 6280 PWs) bands (ev): -15.1228 -15.1228 -14.9086 -14.9086 -12.6966 -12.6966 -12.2629 -12.2629 -4.2676 -4.2676 -3.5830 -3.5830 -1.7731 -1.7731 -1.6979 -1.6979 -1.3879 -1.3879 -1.1983 -1.1983 -0.6309 -0.6309 -0.1641 -0.1641 0.1615 0.1615 0.3867 0.3867 1.9913 1.9913 2.5782 2.5782 6.1472 6.1472 6.6245 6.6245 k = 0.0000 0.0000 0.1565 ( 6282 PWs) bands (ev): -15.1365 -15.1365 -14.8901 -14.8901 -12.7304 -12.7304 -12.2321 -12.2321 -4.3132 -4.3132 -3.5246 -3.5246 -1.7850 -1.7850 -1.7073 -1.7073 -1.3865 -1.3865 -1.1880 -1.1880 -0.6605 -0.6605 -0.1481 -0.1481 0.1613 0.1613 0.4066 0.4066 1.9503 1.9503 2.6266 2.6266 6.1062 6.1062 6.6517 6.6517 k = 0.0000 0.0000 0.1422 ( 6284 PWs) bands (ev): -15.1492 -15.1492 -14.8722 -14.8722 -12.7625 -12.7625 -12.2031 -12.2031 -4.3558 -4.3558 -3.4678 -3.4678 -1.7964 -1.7964 -1.7184 -1.7184 -1.3828 -1.3828 -1.1831 -1.1831 -0.6836 -0.6836 -0.1397 -0.1397 0.1671 0.1671 0.4253 0.4253 1.9117 1.9117 2.6731 2.6731 6.0667 6.0667 6.6754 6.6754 k = 0.0000 0.0000 0.1280 ( 6278 PWs) bands (ev): -15.1608 -15.1608 -14.8552 -14.8552 -12.7927 -12.7927 -12.1763 -12.1763 -4.3951 -4.3951 -3.4134 -3.4134 -1.8072 -1.8072 -1.7306 -1.7306 -1.3779 -1.3779 -1.1838 -1.1838 -0.6997 -0.6997 -0.1377 -0.1377 0.1778 0.1778 0.4427 0.4427 1.8756 1.8756 2.7174 2.7174 6.0292 6.0292 6.6954 6.6954 k = 0.0000 0.0000 0.1138 ( 6278 PWs) bands (ev): -15.1712 -15.1712 -14.8392 -14.8392 -12.8207 -12.8207 -12.1517 -12.1517 -4.4309 -4.4309 -3.3617 -3.3617 -1.8172 -1.8172 -1.7432 -1.7432 -1.3726 -1.3726 -1.1894 -1.1894 -0.7092 -0.7092 -0.1405 -0.1405 0.1918 0.1918 0.4587 0.4587 1.8424 1.8424 2.7589 2.7589 5.9940 5.9940 6.7118 6.7118 k = 0.0000 0.0000 0.0996 ( 6267 PWs) bands (ev): -15.1806 -15.1806 -14.8244 -14.8244 -12.8462 -12.8462 -12.1296 -12.1296 -4.4631 -4.4631 -3.3136 -3.3136 -1.8264 -1.8264 -1.7557 -1.7557 -1.3680 -1.3680 -1.1982 -1.1982 -0.7131 -0.7131 -0.1464 -0.1464 0.2074 0.2074 0.4732 0.4732 1.8123 1.8123 2.7971 2.7971 5.9615 5.9615 6.7248 6.7248 k = 0.0000 0.0000 0.0853 ( 6275 PWs) bands (ev): -15.1887 -15.1887 -14.8111 -14.8111 -12.8689 -12.8689 -12.1101 -12.1101 -4.4913 -4.4913 -3.2697 -3.2697 -1.8346 -1.8346 -1.7676 -1.7676 -1.3651 -1.3651 -1.2083 -1.2083 -0.7128 -0.7128 -0.1539 -0.1539 0.2232 0.2232 0.4860 0.4860 1.7855 1.7855 2.8316 2.8316 5.9323 5.9323 6.7346 6.7346 k = 0.0000 0.0000 0.0711 ( 6283 PWs) bands (ev): -15.1957 -15.1957 -14.7994 -14.7994 -12.8887 -12.8887 -12.0934 -12.0934 -4.5154 -4.5154 -3.2307 -3.2307 -1.8417 -1.8417 -1.7784 -1.7784 -1.3643 -1.3643 -1.2178 -1.2178 -0.7099 -0.7099 -0.1616 -0.1616 0.2379 0.2379 0.4970 0.4970 1.7623 1.7623 2.8618 2.8618 5.9067 5.9067 6.7416 6.7416 k = 0.0000 0.0000 0.0569 ( 6287 PWs) bands (ev): -15.2014 -15.2014 -14.7896 -14.7896 -12.9052 -12.9052 -12.0795 -12.0795 -4.5354 -4.5354 -3.1974 -3.1974 -1.8477 -1.8477 -1.7878 -1.7878 -1.3657 -1.3657 -1.2253 -1.2253 -0.7058 -0.7058 -0.1689 -0.1689 0.2508 0.2508 0.5062 0.5062 1.7430 1.7430 2.8872 2.8872 5.8851 5.8851 6.7464 6.7464 k = 0.0000 0.0000 0.0427 ( 6283 PWs) bands (ev): -15.2059 -15.2059 -14.7817 -14.7817 -12.9182 -12.9182 -12.0686 -12.0686 -4.5511 -4.5511 -3.1706 -3.1706 -1.8524 -1.8524 -1.7956 -1.7956 -1.3687 -1.3687 -1.2303 -1.2303 -0.7016 -0.7016 -0.1750 -0.1750 0.2613 0.2613 0.5135 0.5135 1.7277 1.7277 2.9075 2.9075 5.8679 5.8679 6.7495 6.7495 k = 0.0000 0.0000 0.0284 ( 6295 PWs) bands (ev): -15.2090 -15.2090 -14.7760 -14.7760 -12.9277 -12.9277 -12.0608 -12.0608 -4.5623 -4.5623 -3.1509 -3.1509 -1.8558 -1.8558 -1.8014 -1.8014 -1.3721 -1.3721 -1.2332 -1.2332 -0.6980 -0.6980 -0.1797 -0.1797 0.2691 0.2691 0.5187 0.5187 1.7166 1.7166 2.9223 2.9223 5.8554 5.8554 6.7512 6.7512 k = 0.0000 0.0000 0.0142 ( 6297 PWs) bands (ev): -15.2110 -15.2110 -14.7726 -14.7726 -12.9334 -12.9334 -12.0560 -12.0560 -4.5691 -4.5691 -3.1388 -3.1388 -1.8579 -1.8579 -1.8050 -1.8050 -1.3747 -1.3747 -1.2346 -1.2346 -0.6957 -0.6957 -0.1826 -0.1826 0.2738 0.2738 0.5219 0.5219 1.7099 1.7099 2.9312 2.9312 5.8477 5.8477 6.7521 6.7521 k = 0.0000 0.0000 0.0000 ( 6295 PWs) bands (ev): -15.2116 -15.2116 -14.7714 -14.7714 -12.9353 -12.9353 -12.0545 -12.0545 -4.5714 -4.5714 -3.1348 -3.1348 -1.8586 -1.8586 -1.8062 -1.8062 -1.3757 -1.3757 -1.2350 -1.2350 -0.6949 -0.6949 -0.1835 -0.1835 0.2754 0.2754 0.5229 0.5229 1.7076 1.7076 2.9342 2.9342 5.8452 5.8452 6.7524 6.7524 k = 0.0000 0.0000 0.0000 ( 6295 PWs) bands (ev): -15.2116 -15.2116 -14.7714 -14.7714 -12.9353 -12.9353 -12.0545 -12.0545 -4.5714 -4.5714 -3.1348 -3.1348 -1.8586 -1.8586 -1.8062 -1.8062 -1.3757 -1.3757 -1.2350 -1.2350 -0.6949 -0.6949 -0.1835 -0.1835 0.2754 0.2754 0.5229 0.5229 1.7076 1.7076 2.9342 2.9342 5.8452 5.8452 6.7524 6.7524 k =-0.0128 0.0066 0.0000 ( 6305 PWs) bands (ev): -15.2115 -15.2115 -14.7714 -14.7714 -12.9352 -12.9352 -12.0544 -12.0544 -4.5713 -4.5713 -3.1348 -3.1348 -1.8598 -1.8598 -1.8068 -1.8068 -1.3763 -1.3763 -1.2358 -1.2358 -0.6949 -0.6949 -0.1846 -0.1846 0.2752 0.2752 0.5227 0.5227 1.7077 1.7077 2.9342 2.9342 5.8494 5.8494 6.7550 6.7550 k =-0.0256 0.0132 0.0000 ( 6297 PWs) bands (ev): -15.2113 -15.2113 -14.7712 -14.7712 -12.9350 -12.9350 -12.0544 -12.0544 -4.5710 -4.5710 -3.1350 -3.1350 -1.8635 -1.8635 -1.8086 -1.8086 -1.3779 -1.3779 -1.2382 -1.2382 -0.6948 -0.6948 -0.1877 -0.1877 0.2745 0.2745 0.5219 0.5219 1.7081 1.7081 2.9339 2.9339 5.8619 5.8619 6.7629 6.7629 k =-0.0385 0.0198 0.0000 ( 6305 PWs) bands (ev): -15.2108 -15.2108 -14.7709 -14.7709 -12.9346 -12.9346 -12.0543 -12.0543 -4.5704 -4.5704 -3.1354 -3.1354 -1.8697 -1.8697 -1.8113 -1.8113 -1.3807 -1.3807 -1.2421 -1.2421 -0.6948 -0.6948 -0.1929 -0.1929 0.2733 0.2733 0.5205 0.5205 1.7087 1.7087 2.9335 2.9335 5.8828 5.8828 6.7759 6.7759 k =-0.0513 0.0263 0.0000 ( 6307 PWs) bands (ev): -15.2102 -15.2102 -14.7705 -14.7705 -12.9340 -12.9340 -12.0541 -12.0541 -4.5697 -4.5697 -3.1358 -3.1358 -1.8788 -1.8788 -1.8148 -1.8148 -1.3847 -1.3847 -1.2473 -1.2473 -0.6947 -0.6947 -0.2001 -0.2001 0.2717 0.2717 0.5187 0.5187 1.7094 1.7094 2.9329 2.9329 5.9118 5.9118 6.7940 6.7940 k =-0.0641 0.0329 0.0000 ( 6305 PWs) bands (ev): -15.2095 -15.2095 -14.7699 -14.7699 -12.9333 -12.9333 -12.0539 -12.0539 -4.5687 -4.5687 -3.1364 -3.1364 -1.8908 -1.8908 -1.8188 -1.8188 -1.3897 -1.3897 -1.2537 -1.2537 -0.6948 -0.6948 -0.2093 -0.2093 0.2698 0.2698 0.5163 0.5163 1.7104 1.7104 2.9321 2.9321 5.9489 5.9489 6.8171 6.8171 k =-0.0769 0.0395 0.0000 ( 6299 PWs) bands (ev): -15.2086 -15.2086 -14.7693 -14.7693 -12.9324 -12.9324 -12.0537 -12.0537 -4.5676 -4.5676 -3.1371 -3.1371 -1.9058 -1.9058 -1.8232 -1.8232 -1.3960 -1.3960 -1.2612 -1.2612 -0.6949 -0.6949 -0.2205 -0.2205 0.2675 0.2675 0.5135 0.5135 1.7116 1.7116 2.9312 2.9312 5.9938 5.9938 6.8450 6.8450 k =-0.0897 0.0461 0.0000 ( 6303 PWs) bands (ev): -15.2075 -15.2075 -14.7685 -14.7685 -12.9314 -12.9314 -12.0534 -12.0534 -4.5662 -4.5662 -3.1379 -3.1379 -1.9236 -1.9236 -1.8279 -1.8279 -1.4034 -1.4034 -1.2693 -1.2693 -0.6952 -0.6952 -0.2335 -0.2335 0.2649 0.2649 0.5102 0.5102 1.7129 1.7129 2.9301 2.9301 6.0464 6.0464 6.8777 6.8777 k =-0.1026 0.0527 0.0000 ( 6319 PWs) bands (ev): -15.2063 -15.2063 -14.7677 -14.7677 -12.9302 -12.9302 -12.0531 -12.0531 -4.5647 -4.5647 -3.1388 -3.1388 -1.9442 -1.9442 -1.8329 -1.8329 -1.4121 -1.4121 -1.2779 -1.2779 -0.6958 -0.6958 -0.2483 -0.2483 0.2621 0.2621 0.5064 0.5064 1.7144 1.7144 2.9289 2.9289 6.1063 6.1063 6.9147 6.9147 k =-0.1154 0.0593 0.0000 ( 6315 PWs) bands (ev): -15.2049 -15.2049 -14.7667 -14.7667 -12.9289 -12.9289 -12.0528 -12.0528 -4.5629 -4.5629 -3.1398 -3.1398 -1.9672 -1.9672 -1.8383 -1.8383 -1.4220 -1.4220 -1.2867 -1.2867 -0.6967 -0.6967 -0.2647 -0.2647 0.2591 0.2591 0.5023 0.5023 1.7160 1.7160 2.9276 2.9276 6.1732 6.1732 6.9561 6.9561 k =-0.1282 0.0659 0.0000 ( 6319 PWs) bands (ev): -15.2034 -15.2034 -14.7657 -14.7657 -12.9275 -12.9275 -12.0524 -12.0524 -4.5610 -4.5610 -3.1409 -3.1409 -1.9925 -1.9925 -1.8441 -1.8441 -1.4332 -1.4332 -1.2955 -1.2955 -0.6979 -0.6979 -0.2827 -0.2827 0.2560 0.2560 0.4978 0.4978 1.7176 1.7176 2.9261 2.9261 6.2469 6.2469 7.0014 7.0014 k =-0.1410 0.0724 0.0000 ( 6319 PWs) bands (ev): -15.2018 -15.2018 -14.7646 -14.7646 -12.9259 -12.9259 -12.0520 -12.0520 -4.5590 -4.5590 -3.1421 -3.1421 -2.0198 -2.0198 -1.8503 -1.8503 -1.4456 -1.4456 -1.3041 -1.3041 -0.6995 -0.6995 -0.3021 -0.3021 0.2528 0.2528 0.4929 0.4929 1.7193 1.7193 2.9245 2.9245 6.3270 6.3270 7.0503 7.0503 k =-0.1538 0.0790 0.0000 ( 6305 PWs) bands (ev): -15.2001 -15.2001 -14.7634 -14.7634 -12.9243 -12.9243 -12.0516 -12.0516 -4.5568 -4.5568 -3.1434 -3.1434 -2.0489 -2.0489 -1.8569 -1.8569 -1.4591 -1.4591 -1.3123 -1.3123 -0.7015 -0.7015 -0.3227 -0.3227 0.2495 0.2495 0.4877 0.4877 1.7211 1.7211 2.9228 2.9228 6.4130 6.4130 7.1025 7.1025 k =-0.1667 0.0856 0.0000 ( 6305 PWs) bands (ev): -15.1982 -15.1982 -14.7621 -14.7621 -12.9226 -12.9226 -12.0512 -12.0512 -4.5545 -4.5545 -3.1447 -3.1447 -2.0795 -2.0795 -1.8640 -1.8640 -1.4735 -1.4735 -1.3201 -1.3201 -0.7041 -0.7041 -0.3443 -0.3443 0.2462 0.2462 0.4823 0.4823 1.7229 1.7229 2.9210 2.9210 6.5046 6.5046 7.1576 7.1576 k =-0.1795 0.0922 0.0000 ( 6301 PWs) bands (ev): -15.1963 -15.1963 -14.7607 -14.7607 -12.9207 -12.9207 -12.0507 -12.0507 -4.5520 -4.5520 -3.1462 -3.1462 -2.1113 -2.1113 -1.8715 -1.8715 -1.4888 -1.4888 -1.3273 -1.3273 -0.7072 -0.7072 -0.3667 -0.3667 0.2429 0.2429 0.4766 0.4766 1.7247 1.7247 2.9191 2.9191 6.6014 6.6014 7.2150 7.2150 k =-0.1923 0.0988 0.0000 ( 6301 PWs) bands (ev): -15.1943 -15.1943 -14.7594 -14.7594 -12.9188 -12.9188 -12.0502 -12.0502 -4.5494 -4.5494 -3.1476 -3.1476 -2.1440 -2.1440 -1.8795 -1.8795 -1.5046 -1.5046 -1.3340 -1.3340 -0.7110 -0.7110 -0.3897 -0.3897 0.2397 0.2397 0.4707 0.4707 1.7264 1.7264 2.9171 2.9171 6.7028 6.7028 7.2744 7.2744 k =-0.2051 0.1054 0.0000 ( 6295 PWs) bands (ev): -15.1923 -15.1923 -14.7579 -14.7579 -12.9169 -12.9169 -12.0497 -12.0497 -4.5468 -4.5468 -3.1491 -3.1491 -2.1775 -2.1775 -1.8880 -1.8880 -1.5208 -1.5208 -1.3401 -1.3401 -0.7154 -0.7154 -0.4130 -0.4130 0.2364 0.2364 0.4647 0.4647 1.7281 1.7281 2.9151 2.9151 6.8084 6.8084 7.3351 7.3351 k =-0.2179 0.1120 0.0000 ( 6299 PWs) bands (ev): -15.1902 -15.1902 -14.7565 -14.7565 -12.9149 -12.9149 -12.0492 -12.0492 -4.5440 -4.5440 -3.1507 -3.1507 -2.2115 -2.2115 -1.8969 -1.8969 -1.5372 -1.5372 -1.3457 -1.3457 -0.7205 -0.7205 -0.4365 -0.4365 0.2332 0.2332 0.4586 0.4586 1.7298 1.7298 2.9130 2.9130 6.9175 6.9175 7.3965 7.3965 k =-0.2308 0.1186 0.0000 ( 6301 PWs) bands (ev): -15.1880 -15.1880 -14.7550 -14.7550 -12.9128 -12.9128 -12.0487 -12.0487 -4.5412 -4.5412 -3.1523 -3.1523 -2.2457 -2.2457 -1.9063 -1.9063 -1.5535 -1.5535 -1.3508 -1.3508 -0.7264 -0.7264 -0.4597 -0.4597 0.2301 0.2301 0.4524 0.4524 1.7314 1.7314 2.9108 2.9108 7.0296 7.0296 7.4578 7.4578 k =-0.2436 0.1251 0.0000 ( 6297 PWs) bands (ev): -15.1859 -15.1859 -14.7535 -14.7535 -12.9107 -12.9107 -12.0482 -12.0482 -4.5384 -4.5384 -3.1539 -3.1539 -2.2798 -2.2798 -1.9161 -1.9161 -1.5697 -1.5697 -1.3555 -1.3555 -0.7332 -0.7332 -0.4826 -0.4826 0.2270 0.2270 0.4462 0.4462 1.7329 1.7329 2.9087 2.9087 7.1440 7.1440 7.5184 7.5184 k =-0.2564 0.1317 0.0000 ( 6304 PWs) bands (ev): -15.1837 -15.1837 -14.7519 -14.7519 -12.9087 -12.9087 -12.0476 -12.0476 -4.5355 -4.5355 -3.1554 -3.1554 -2.3137 -2.3137 -1.9262 -1.9262 -1.5854 -1.5854 -1.3597 -1.3597 -0.7409 -0.7409 -0.5046 -0.5046 0.2240 0.2240 0.4400 0.4400 1.7344 1.7344 2.9065 2.9065 7.2600 7.2600 7.5774 7.5774 k =-0.2692 0.1383 0.0000 ( 6306 PWs) bands (ev): -15.1815 -15.1815 -14.7504 -14.7504 -12.9066 -12.9066 -12.0471 -12.0471 -4.5326 -4.5326 -3.1570 -3.1570 -2.3472 -2.3472 -1.9367 -1.9367 -1.6006 -1.6006 -1.3635 -1.3635 -0.7497 -0.7497 -0.5257 -0.5257 0.2211 0.2211 0.4338 0.4338 1.7357 1.7357 2.9043 2.9043 7.3767 7.3767 7.6341 7.6341 k =-0.2821 0.1449 0.0000 ( 6312 PWs) bands (ev): -15.1794 -15.1794 -14.7489 -14.7489 -12.9045 -12.9045 -12.0466 -12.0466 -4.5298 -4.5298 -3.1586 -3.1586 -2.3800 -2.3800 -1.9474 -1.9474 -1.6152 -1.6152 -1.3668 -1.3668 -0.7596 -0.7596 -0.5455 -0.5455 0.2183 0.2183 0.4278 0.4278 1.7370 1.7370 2.9022 2.9022 7.4932 7.4932 7.6877 7.6877 k =-0.2949 0.1515 0.0000 ( 6318 PWs) bands (ev): -15.1773 -15.1773 -14.7475 -14.7475 -12.9025 -12.9025 -12.0461 -12.0461 -4.5269 -4.5269 -3.1601 -3.1601 -2.4119 -2.4119 -1.9584 -1.9584 -1.6291 -1.6291 -1.3697 -1.3697 -0.7706 -0.7706 -0.5639 -0.5639 0.2156 0.2156 0.4219 0.4219 1.7382 1.7382 2.9000 2.9000 7.6085 7.6085 7.7374 7.7374 k =-0.3077 0.1581 0.0000 ( 6320 PWs) bands (ev): -15.1752 -15.1752 -14.7460 -14.7460 -12.9005 -12.9005 -12.0456 -12.0456 -4.5241 -4.5241 -3.1616 -3.1616 -2.4428 -2.4428 -1.9694 -1.9694 -1.6421 -1.6421 -1.3723 -1.3723 -0.7826 -0.7826 -0.5805 -0.5805 0.2130 0.2130 0.4162 0.4162 1.7393 1.7393 2.8979 2.8979 7.7210 7.7210 7.7830 7.7830 k =-0.3205 0.1647 0.0000 ( 6322 PWs) bands (ev): -15.1732 -15.1732 -14.7446 -14.7446 -12.8986 -12.8986 -12.0451 -12.0451 -4.5214 -4.5214 -3.1631 -3.1631 -2.4725 -2.4725 -1.9804 -1.9804 -1.6542 -1.6542 -1.3745 -1.3745 -0.7957 -0.7957 -0.5955 -0.5955 0.2105 0.2105 0.4107 0.4107 1.7403 1.7403 2.8959 2.8959 7.8185 7.8185 7.8352 7.8352 k =-0.3333 0.1712 0.0000 ( 6338 PWs) bands (ev): -15.1712 -15.1712 -14.7433 -14.7433 -12.8968 -12.8968 -12.0446 -12.0446 -4.5187 -4.5187 -3.1645 -3.1645 -2.5008 -2.5008 -1.9912 -1.9912 -1.6655 -1.6655 -1.3763 -1.3763 -0.8095 -0.8095 -0.6087 -0.6087 0.2081 0.2081 0.4054 0.4054 1.7412 1.7412 2.8940 2.8940 7.8570 7.8570 7.9357 7.9357 k =-0.3462 0.1778 0.0000 ( 6330 PWs) bands (ev): -15.1694 -15.1694 -14.7420 -14.7420 -12.8950 -12.8950 -12.0442 -12.0442 -4.5162 -4.5162 -3.1658 -3.1658 -2.5276 -2.5276 -2.0019 -2.0019 -1.6759 -1.6759 -1.3778 -1.3778 -0.8238 -0.8238 -0.6203 -0.6203 0.2058 0.2058 0.4005 0.4005 1.7421 1.7421 2.8921 2.8921 7.8874 7.8874 7.9463 7.9463 k =-0.3590 0.1844 0.0000 ( 6328 PWs) bands (ev): -15.1676 -15.1676 -14.7408 -14.7408 -12.8933 -12.8933 -12.0437 -12.0437 -4.5138 -4.5138 -3.1671 -3.1671 -2.5528 -2.5528 -2.0122 -2.0122 -1.6853 -1.6853 -1.3789 -1.3789 -0.8384 -0.8384 -0.6304 -0.6304 0.2037 0.2037 0.3958 0.3958 1.7428 1.7428 2.8903 2.8903 7.9127 7.9127 7.9417 7.9417 k =-0.3718 0.1910 0.0000 ( 6328 PWs) bands (ev): -15.1660 -15.1660 -14.7396 -14.7396 -12.8918 -12.8918 -12.0434 -12.0434 -4.5115 -4.5115 -3.1683 -3.1683 -2.5761 -2.5761 -2.0220 -2.0220 -1.6939 -1.6939 -1.3798 -1.3798 -0.8529 -0.8529 -0.6391 -0.6391 0.2018 0.2018 0.3914 0.3914 1.7435 1.7435 2.8886 2.8886 7.9324 7.9324 7.9378 7.9378 k =-0.3846 0.1976 0.0000 ( 6324 PWs) bands (ev): -15.1645 -15.1645 -14.7386 -14.7386 -12.8903 -12.8903 -12.0430 -12.0430 -4.5093 -4.5093 -3.1693 -3.1693 -2.5976 -2.5976 -2.0313 -2.0313 -1.7015 -1.7015 -1.3804 -1.3804 -0.8669 -0.8669 -0.6466 -0.6466 0.2000 0.2000 0.3874 0.3874 1.7441 1.7441 2.8871 2.8871 7.9316 7.9316 7.9506 7.9506 k =-0.3974 0.2042 0.0000 ( 6332 PWs) bands (ev): -15.1631 -15.1631 -14.7376 -14.7376 -12.8890 -12.8890 -12.0427 -12.0427 -4.5074 -4.5074 -3.1703 -3.1703 -2.6172 -2.6172 -2.0399 -2.0399 -1.7083 -1.7083 -1.3807 -1.3807 -0.8804 -0.8804 -0.6530 -0.6530 0.1983 0.1983 0.3837 0.3837 1.7447 1.7447 2.8857 2.8857 7.9270 7.9270 7.9636 7.9636 k =-0.4103 0.2108 0.0000 ( 6316 PWs) bands (ev): -15.1618 -15.1618 -14.7367 -14.7367 -12.8878 -12.8878 -12.0424 -12.0424 -4.5056 -4.5056 -3.1712 -3.1712 -2.6346 -2.6346 -2.0477 -2.0477 -1.7143 -1.7143 -1.3809 -1.3809 -0.8928 -0.8928 -0.6584 -0.6584 0.1969 0.1969 0.3805 0.3805 1.7451 1.7451 2.8844 2.8844 7.9227 7.9227 7.9739 7.9739 k =-0.4231 0.2173 0.0000 ( 6312 PWs) bands (ev): -15.1607 -15.1607 -14.7360 -14.7360 -12.8867 -12.8867 -12.0421 -12.0421 -4.5041 -4.5041 -3.1720 -3.1720 -2.6498 -2.6498 -2.0547 -2.0547 -1.7194 -1.7194 -1.3809 -1.3809 -0.9041 -0.9041 -0.6630 -0.6630 0.1956 0.1956 0.3776 0.3776 1.7455 1.7455 2.8833 2.8833 7.9186 7.9186 7.9817 7.9817 k =-0.4359 0.2239 0.0000 ( 6308 PWs) bands (ev): -15.1598 -15.1598 -14.7353 -14.7353 -12.8858 -12.8858 -12.0419 -12.0419 -4.5027 -4.5027 -3.1727 -3.1727 -2.6629 -2.6629 -2.0607 -2.0607 -1.7236 -1.7236 -1.3809 -1.3809 -0.9140 -0.9140 -0.6667 -0.6667 0.1945 0.1945 0.3752 0.3752 1.7459 1.7459 2.8823 2.8823 7.9150 7.9150 7.9876 7.9876 k =-0.4487 0.2305 0.0000 ( 6314 PWs) bands (ev): -15.1590 -15.1590 -14.7348 -14.7348 -12.8851 -12.8851 -12.0417 -12.0417 -4.5016 -4.5016 -3.1732 -3.1732 -2.6736 -2.6736 -2.0658 -2.0658 -1.7271 -1.7271 -1.3807 -1.3807 -0.9224 -0.9224 -0.6697 -0.6697 0.1936 0.1936 0.3732 0.3732 1.7461 1.7461 2.8815 2.8815 7.9119 7.9119 7.9918 7.9918 k =-0.4615 0.2371 0.0000 ( 6322 PWs) bands (ev): -15.1584 -15.1584 -14.7344 -14.7344 -12.8845 -12.8845 -12.0415 -12.0415 -4.5008 -4.5008 -3.1736 -3.1736 -2.6820 -2.6820 -2.0697 -2.0697 -1.7298 -1.7298 -1.3806 -1.3806 -0.9290 -0.9290 -0.6719 -0.6719 0.1929 0.1929 0.3716 0.3716 1.7463 1.7463 2.8809 2.8809 7.9095 7.9095 7.9948 7.9948 k =-0.4744 0.2437 0.0000 ( 6320 PWs) bands (ev): -15.1579 -15.1579 -14.7341 -14.7341 -12.8841 -12.8841 -12.0414 -12.0414 -4.5001 -4.5001 -3.1740 -3.1740 -2.6881 -2.6881 -2.0726 -2.0726 -1.7317 -1.7317 -1.3804 -1.3804 -0.9338 -0.9338 -0.6735 -0.6735 0.1924 0.1924 0.3705 0.3705 1.7465 1.7465 2.8804 2.8804 7.9077 7.9077 7.9967 7.9967 k =-0.4872 0.2503 0.0000 ( 6318 PWs) bands (ev): -15.1577 -15.1577 -14.7339 -14.7339 -12.8838 -12.8838 -12.0414 -12.0414 -4.4997 -4.4997 -3.1741 -3.1741 -2.6917 -2.6917 -2.0743 -2.0743 -1.7329 -1.7329 -1.3803 -1.3803 -0.9368 -0.9368 -0.6745 -0.6745 0.1920 0.1920 0.3698 0.3698 1.7465 1.7465 2.8802 2.8802 7.9066 7.9066 7.9978 7.9978 k =-0.5000 0.2569 0.0000 ( 6318 PWs) bands (ev): -15.1576 -15.1576 -14.7338 -14.7338 -12.8837 -12.8837 -12.0413 -12.0413 -4.4996 -4.4996 -3.1742 -3.1742 -2.6929 -2.6929 -2.0749 -2.0749 -1.7332 -1.7332 -1.3803 -1.3803 -0.9378 -0.9378 -0.6748 -0.6748 0.1919 0.1919 0.3696 0.3696 1.7466 1.7466 2.8801 2.8801 7.9062 7.9062 7.9981 7.9981 k =-0.5000 0.2569 0.0000 ( 6318 PWs) bands (ev): -15.1576 -15.1576 -14.7338 -14.7338 -12.8837 -12.8837 -12.0413 -12.0413 -4.4996 -4.4996 -3.1742 -3.1742 -2.6929 -2.6929 -2.0749 -2.0749 -1.7332 -1.7332 -1.3803 -1.3803 -0.9378 -0.9378 -0.6748 -0.6748 0.1919 0.1919 0.3696 0.3696 1.7466 1.7466 2.8801 2.8801 7.9062 7.9062 7.9981 7.9981 k =-0.4934 0.2697-0.0000 ( 6319 PWs) bands (ev): -15.1573 -15.1573 -14.7338 -14.7338 -12.8834 -12.8834 -12.0418 -12.0418 -4.4995 -4.4995 -3.1759 -3.1759 -2.6922 -2.6922 -2.0753 -2.0753 -1.7349 -1.7349 -1.3828 -1.3828 -0.9369 -0.9369 -0.6729 -0.6729 0.1924 0.1924 0.3694 0.3694 1.7473 1.7473 2.8793 2.8793 7.9073 7.9073 8.0050 8.0050 k =-0.4869 0.2825-0.0000 ( 6315 PWs) bands (ev): -15.1563 -15.1563 -14.7339 -14.7339 -12.8825 -12.8825 -12.0431 -12.0431 -4.4993 -4.4993 -3.1809 -3.1809 -2.6902 -2.6902 -2.0764 -2.0764 -1.7397 -1.7397 -1.3902 -1.3902 -0.9344 -0.9344 -0.6674 -0.6674 0.1938 0.1938 0.3691 0.3691 1.7494 1.7494 2.8771 2.8771 7.9113 7.9113 8.0247 8.0247 k =-0.4803 0.2952-0.0000 ( 6311 PWs) bands (ev): -15.1547 -15.1547 -14.7340 -14.7340 -12.8809 -12.8809 -12.0454 -12.0454 -4.4988 -4.4988 -3.1892 -3.1892 -2.6868 -2.6868 -2.0782 -2.0782 -1.7472 -1.7472 -1.4023 -1.4023 -0.9303 -0.9303 -0.6585 -0.6585 0.1959 0.1959 0.3684 0.3684 1.7531 1.7531 2.8734 2.8734 7.9200 7.9200 8.0555 8.0555 k =-0.4737 0.3080-0.0000 ( 6315 PWs) bands (ev): -15.1524 -15.1524 -14.7341 -14.7341 -12.8787 -12.8787 -12.0485 -12.0485 -4.4982 -4.4982 -3.2008 -3.2008 -2.6821 -2.6821 -2.0810 -2.0810 -1.7569 -1.7569 -1.4186 -1.4186 -0.9249 -0.9249 -0.6466 -0.6466 0.1981 0.1981 0.3674 0.3674 1.7586 1.7586 2.8685 2.8685 7.9345 7.9345 8.0959 8.0959 k =-0.4671 0.3208-0.0000 ( 6313 PWs) bands (ev): -15.1496 -15.1496 -14.7343 -14.7343 -12.8759 -12.8759 -12.0525 -12.0525 -4.4975 -4.4975 -3.2157 -3.2157 -2.6761 -2.6761 -2.0848 -2.0848 -1.7679 -1.7679 -1.4386 -1.4386 -0.9182 -0.9182 -0.6324 -0.6324 0.1999 0.1999 0.3659 0.3659 1.7662 1.7662 2.8625 2.8625 7.9556 7.9556 8.1449 8.1449 k =-0.4606 0.3336-0.0000 ( 6319 PWs) bands (ev): -15.1461 -15.1461 -14.7345 -14.7345 -12.8724 -12.8724 -12.0574 -12.0574 -4.4965 -4.4965 -3.2338 -3.2338 -2.6688 -2.6688 -2.0896 -2.0896 -1.7795 -1.7795 -1.4619 -1.4619 -0.9106 -0.9106 -0.6164 -0.6164 0.2008 0.2008 0.3640 0.3640 1.7763 1.7763 2.8557 2.8557 7.9836 7.9836 8.2018 8.2018 k =-0.4540 0.3464-0.0000 ( 6323 PWs) bands (ev): -15.1420 -15.1420 -14.7348 -14.7348 -12.8684 -12.8684 -12.0631 -12.0631 -4.4955 -4.4955 -3.2550 -3.2550 -2.6601 -2.6601 -2.0956 -2.0956 -1.7910 -1.7910 -1.4877 -1.4877 -0.9020 -0.9020 -0.5993 -0.5993 0.2002 0.2002 0.3615 0.3615 1.7890 1.7890 2.8483 2.8483 8.0185 8.0185 8.2662 8.2662 k =-0.4474 0.3592-0.0000 ( 6327 PWs) bands (ev): -15.1373 -15.1373 -14.7352 -14.7352 -12.8637 -12.8637 -12.0697 -12.0697 -4.4944 -4.4944 -3.2793 -3.2793 -2.6502 -2.6502 -2.1028 -2.1028 -1.8016 -1.8016 -1.5154 -1.5154 -0.8927 -0.8927 -0.5819 -0.5819 0.1974 0.1974 0.3583 0.3583 1.8048 1.8048 2.8406 2.8406 8.0602 8.0602 8.3374 8.3374 k =-0.4409 0.3720-0.0000 ( 6335 PWs) bands (ev): -15.1320 -15.1320 -14.7357 -14.7357 -12.8584 -12.8584 -12.0771 -12.0771 -4.4931 -4.4931 -3.3064 -3.3064 -2.6391 -2.6391 -2.1112 -2.1112 -1.8109 -1.8109 -1.5445 -1.5445 -0.8826 -0.8826 -0.5647 -0.5647 0.1920 0.1920 0.3543 0.3543 1.8239 1.8239 2.8329 2.8329 8.1087 8.1087 8.4149 8.4149 k =-0.4343 0.3848-0.0000 ( 6329 PWs) bands (ev): -15.1262 -15.1262 -14.7363 -14.7363 -12.8526 -12.8526 -12.0853 -12.0853 -4.4918 -4.4918 -3.3363 -3.3363 -2.6267 -2.6267 -2.1205 -2.1205 -1.8186 -1.8186 -1.5742 -1.5742 -0.8719 -0.8719 -0.5483 -0.5483 0.1836 0.1836 0.3496 0.3496 1.8464 1.8464 2.8254 2.8254 8.1636 8.1636 8.4957 8.4957 k =-0.4277 0.3976-0.0000 ( 6321 PWs) bands (ev): -15.1198 -15.1198 -14.7370 -14.7370 -12.8462 -12.8462 -12.0943 -12.0943 -4.4904 -4.4904 -3.3687 -3.3687 -2.6131 -2.6131 -2.1306 -2.1306 -1.8245 -1.8245 -1.6041 -1.6041 -0.8606 -0.8606 -0.5332 -0.5332 0.1718 0.1718 0.3442 0.3442 1.8723 1.8723 2.8185 2.8185 8.2248 8.2248 8.5213 8.5213 k =-0.4211 0.4104-0.0000 ( 6309 PWs) bands (ev): -15.1129 -15.1129 -14.7378 -14.7378 -12.8392 -12.8392 -12.1041 -12.1041 -4.4890 -4.4890 -3.4035 -3.4035 -2.5984 -2.5984 -2.1411 -2.1411 -1.8289 -1.8289 -1.6334 -1.6334 -0.8487 -0.8487 -0.5199 -0.5199 0.1563 0.1563 0.3381 0.3381 1.9016 1.9016 2.8123 2.8123 8.2919 8.2919 8.5072 8.5072 k =-0.4146 0.4232-0.0000 ( 6313 PWs) bands (ev): -15.1055 -15.1055 -14.7388 -14.7388 -12.8316 -12.8316 -12.1146 -12.1146 -4.4875 -4.4875 -3.4404 -3.4404 -2.5826 -2.5826 -2.1518 -2.1518 -1.8320 -1.8320 -1.6617 -1.6617 -0.8363 -0.8363 -0.5086 -0.5086 0.1372 0.1372 0.3315 0.3315 1.9341 1.9341 2.8071 2.8071 8.3639 8.3639 8.4898 8.4898 k =-0.4080 0.4360-0.0000 ( 6317 PWs) bands (ev): -15.0977 -15.0977 -14.7400 -14.7400 -12.8235 -12.8235 -12.1258 -12.1258 -4.4859 -4.4859 -3.4791 -3.4791 -2.5657 -2.5657 -2.1622 -2.1622 -1.8341 -1.8341 -1.6882 -1.6882 -0.8235 -0.8235 -0.4996 -0.4996 0.1143 0.1143 0.3245 0.3245 1.9696 1.9696 2.8030 2.8030 8.4367 8.4367 8.4740 8.4740 k =-0.4014 0.4488-0.0000 ( 6317 PWs) bands (ev): -15.0894 -15.0894 -14.7414 -14.7414 -12.8148 -12.8148 -12.1377 -12.1377 -4.4843 -4.4843 -3.5194 -3.5194 -2.5477 -2.5477 -2.1722 -2.1722 -1.8361 -1.8361 -1.7121 -1.7121 -0.8104 -0.8104 -0.4930 -0.4930 0.0880 0.0880 0.3172 0.3172 2.0077 2.0077 2.8001 2.8001 8.4417 8.4417 8.5282 8.5282 k =-0.3948 0.4616-0.0000 ( 6331 PWs) bands (ev): -15.0808 -15.0808 -14.7430 -14.7430 -12.8057 -12.8057 -12.1503 -12.1503 -4.4827 -4.4827 -3.5610 -3.5610 -2.5289 -2.5289 -2.1814 -2.1814 -1.8389 -1.8389 -1.7324 -1.7324 -0.7971 -0.7971 -0.4887 -0.4887 0.0584 0.0584 0.3096 0.3096 2.0480 2.0480 2.7986 2.7986 8.4179 8.4179 8.6131 8.6131 k =-0.3883 0.4743-0.0000 ( 6339 PWs) bands (ev): -15.0717 -15.0717 -14.7449 -14.7449 -12.7960 -12.7960 -12.1635 -12.1635 -4.4809 -4.4809 -3.6036 -3.6036 -2.5091 -2.5091 -2.1896 -2.1896 -1.8437 -1.8437 -1.7478 -1.7478 -0.7837 -0.7837 -0.4868 -0.4868 0.0259 0.0259 0.3017 0.3017 2.0901 2.0901 2.7984 2.7984 8.3912 8.3912 8.7022 8.7022 k =-0.3817 0.4871-0.0000 ( 6323 PWs) bands (ev): -15.0623 -15.0623 -14.7470 -14.7470 -12.7858 -12.7858 -12.1773 -12.1773 -4.4791 -4.4791 -3.6470 -3.6470 -2.4885 -2.4885 -2.1967 -2.1967 -1.8513 -1.8513 -1.7574 -1.7574 -0.7705 -0.7705 -0.4869 -0.4869 -0.0089 -0.0089 0.2936 0.2936 2.1337 2.1337 2.7994 2.7994 8.3630 8.3630 8.7935 8.7935 k =-0.3751 0.4999-0.0000 ( 6323 PWs) bands (ev): -15.0526 -15.0526 -14.7494 -14.7494 -12.7751 -12.7751 -12.1916 -12.1916 -4.4771 -4.4771 -3.6908 -3.6908 -2.4671 -2.4671 -2.2026 -2.2026 -1.8616 -1.8616 -1.7614 -1.7614 -0.7577 -0.7577 -0.4888 -0.4888 -0.0456 -0.0456 0.2853 0.2853 2.1783 2.1783 2.8017 2.8017 8.3336 8.3336 8.8859 8.8859 k =-0.3686 0.5127-0.0000 ( 6331 PWs) bands (ev): -15.0427 -15.0427 -14.7521 -14.7521 -12.7640 -12.7640 -12.2065 -12.2065 -4.4749 -4.4749 -3.7348 -3.7348 -2.4451 -2.4451 -2.2072 -2.2072 -1.8734 -1.8734 -1.7610 -1.7610 -0.7458 -0.7458 -0.4919 -0.4919 -0.0837 -0.0837 0.2767 0.2767 2.2234 2.2234 2.8050 2.8050 8.3035 8.3035 8.9774 8.9774 k =-0.3620 0.5255-0.0000 ( 6335 PWs) bands (ev): -15.0324 -15.0324 -14.7552 -14.7552 -12.7524 -12.7524 -12.2218 -12.2218 -4.4725 -4.4725 -3.7787 -3.7787 -2.4225 -2.4225 -2.2105 -2.2105 -1.8854 -1.8854 -1.7576 -1.7576 -0.7351 -0.7351 -0.4957 -0.4957 -0.1226 -0.1226 0.2679 0.2679 2.2688 2.2688 2.8093 2.8093 8.2731 8.2731 8.9334 8.9334 k =-0.3554 0.5383-0.0000 ( 6339 PWs) bands (ev): -15.0220 -15.0220 -14.7586 -14.7586 -12.7404 -12.7404 -12.2376 -12.2376 -4.4698 -4.4698 -3.8224 -3.8224 -2.3994 -2.3994 -2.2124 -2.2124 -1.8967 -1.8967 -1.7523 -1.7523 -0.7262 -0.7262 -0.4996 -0.4996 -0.1618 -0.1618 0.2588 0.2588 2.3140 2.3140 2.8143 2.8143 8.2426 8.2426 8.8817 8.8817 k =-0.3488 0.5511-0.0000 ( 6329 PWs) bands (ev): -15.0115 -15.0115 -14.7624 -14.7624 -12.7279 -12.7279 -12.2538 -12.2538 -4.4667 -4.4667 -3.8656 -3.8656 -2.3761 -2.3761 -2.2129 -2.2129 -1.9066 -1.9066 -1.7457 -1.7457 -0.7196 -0.7196 -0.5030 -0.5030 -0.2006 -0.2006 0.2496 0.2496 2.3587 2.3587 2.8197 2.8197 8.2126 8.2126 8.8320 8.8320 k =-0.3423 0.5639-0.0000 ( 6333 PWs) bands (ev): -15.0008 -15.0008 -14.7665 -14.7665 -12.7151 -12.7151 -12.2704 -12.2704 -4.4632 -4.4632 -3.9081 -3.9081 -2.3526 -2.3526 -2.2121 -2.2121 -1.9149 -1.9149 -1.7382 -1.7382 -0.7158 -0.7158 -0.5055 -0.5055 -0.2380 -0.2380 0.2401 0.2401 2.4027 2.4027 2.8255 2.8255 8.1834 8.1834 8.7845 8.7845 k =-0.3357 0.5767-0.0000 ( 6333 PWs) bands (ev): -14.9900 -14.9900 -14.7711 -14.7711 -12.7018 -12.7018 -12.2873 -12.2873 -4.4591 -4.4591 -3.9496 -3.9496 -2.3291 -2.3291 -2.2099 -2.2099 -1.9213 -1.9213 -1.7302 -1.7302 -0.7152 -0.7152 -0.5072 -0.5072 -0.2730 -0.2730 0.2305 0.2305 2.4456 2.4456 2.8313 2.8313 8.1552 8.1552 8.7394 8.7394 k =-0.3291 0.5895-0.0000 ( 6333 PWs) bands (ev): -14.9792 -14.9792 -14.7760 -14.7760 -12.6882 -12.6882 -12.3046 -12.3046 -4.4544 -4.4544 -3.9902 -3.9902 -2.3059 -2.3059 -2.2066 -2.2066 -1.9258 -1.9258 -1.7218 -1.7218 -0.7175 -0.7175 -0.5090 -0.5090 -0.3040 -0.3040 0.2207 0.2207 2.4873 2.4873 2.8369 2.8369 8.1284 8.1284 8.6970 8.6970 k =-0.3226 0.6023-0.0000 ( 6337 PWs) bands (ev): -14.9684 -14.9684 -14.7814 -14.7814 -12.6742 -12.6742 -12.3221 -12.3221 -4.4490 -4.4490 -4.0296 -4.0296 -2.2831 -2.2831 -2.2020 -2.2020 -1.9283 -1.9283 -1.7132 -1.7132 -0.7224 -0.7224 -0.5130 -0.5130 -0.3288 -0.3288 0.2107 0.2107 2.5274 2.5274 2.8421 2.8421 8.1033 8.1033 8.6573 8.6573 k =-0.3160 0.6151-0.0000 ( 6321 PWs) bands (ev): -14.9576 -14.9576 -14.7873 -14.7873 -12.6599 -12.6599 -12.3398 -12.3398 -4.4427 -4.4427 -4.0676 -4.0676 -2.2611 -2.2611 -2.1964 -2.1964 -1.9287 -1.9287 -1.7046 -1.7046 -0.7290 -0.7290 -0.5214 -0.5214 -0.3449 -0.3449 0.2007 0.2007 2.5659 2.5659 2.8465 2.8465 8.0801 8.0801 8.6207 8.6207 k =-0.3160 0.6151-0.0000 ( 6321 PWs) bands (ev): -14.9576 -14.9576 -14.7873 -14.7873 -12.6599 -12.6599 -12.3398 -12.3398 -4.4427 -4.4427 -4.0676 -4.0676 -2.2611 -2.2611 -2.1964 -2.1964 -1.9287 -1.9287 -1.7046 -1.7046 -0.7290 -0.7290 -0.5214 -0.5214 -0.3449 -0.3449 0.2007 0.2007 2.5659 2.5659 2.8465 2.8465 8.0801 8.0801 8.6207 8.6207 k =-0.3160 0.6151 0.0142 ( 6323 PWs) bands (ev): -14.9573 -14.9573 -14.7876 -14.7876 -12.6592 -12.6592 -12.3404 -12.3404 -4.4415 -4.4415 -4.0671 -4.0671 -2.2645 -2.2645 -2.2012 -2.2012 -1.9270 -1.9270 -1.7054 -1.7054 -0.7312 -0.7312 -0.5184 -0.5184 -0.3354 -0.3354 0.1999 0.1999 2.5622 2.5622 2.8453 2.8453 8.0819 8.0819 8.6224 8.6224 k =-0.3160 0.6151 0.0284 ( 6322 PWs) bands (ev): -14.9564 -14.9564 -14.7887 -14.7887 -12.6573 -12.6573 -12.3421 -12.3421 -4.4376 -4.4376 -4.0655 -4.0655 -2.2769 -2.2769 -2.2116 -2.2116 -1.9239 -1.9239 -1.7083 -1.7083 -0.7355 -0.7355 -0.5104 -0.5104 -0.3082 -0.3082 0.1975 0.1975 2.5515 2.5515 2.8418 2.8418 8.0874 8.0874 8.6275 8.6275 k =-0.3160 0.6151 0.0427 ( 6334 PWs) bands (ev): -14.9550 -14.9550 -14.7905 -14.7905 -12.6542 -12.6542 -12.3451 -12.3451 -4.4313 -4.4313 -4.0631 -4.0631 -2.3016 -2.3016 -2.2201 -2.2201 -1.9228 -1.9228 -1.7134 -1.7134 -0.7368 -0.7368 -0.4989 -0.4989 -0.2670 -0.2670 0.1937 0.1937 2.5344 2.5344 2.8354 2.8354 8.0966 8.0966 8.6357 8.6357 k =-0.3160 0.6151 0.0569 ( 6332 PWs) bands (ev): -14.9530 -14.9530 -14.7930 -14.7930 -12.6499 -12.6499 -12.3492 -12.3492 -4.4225 -4.4225 -4.0598 -4.0598 -2.3368 -2.3368 -2.2249 -2.2249 -1.9265 -1.9265 -1.7212 -1.7212 -0.7306 -0.7306 -0.4847 -0.4847 -0.2166 -0.2166 0.1886 0.1886 2.5120 2.5120 2.8259 2.8259 8.1094 8.1094 8.6472 8.6472 k =-0.3160 0.6151 0.0711 ( 6336 PWs) bands (ev): -14.9504 -14.9504 -14.7962 -14.7962 -12.6443 -12.6443 -12.3544 -12.3544 -4.4113 -4.4113 -4.0561 -4.0561 -2.3776 -2.3776 -2.2279 -2.2279 -1.9365 -1.9365 -1.7322 -1.7322 -0.7143 -0.7143 -0.4682 -0.4682 -0.1611 -0.1611 0.1825 0.1825 2.4854 2.4854 2.8126 2.8126 8.1259 8.1259 8.6614 8.6614 k =-0.3160 0.6151 0.0853 ( 6343 PWs) bands (ev): -14.9473 -14.9473 -14.7999 -14.7999 -12.6377 -12.6377 -12.3607 -12.3607 -4.3978 -4.3978 -4.0522 -4.0522 -2.4202 -2.4202 -2.2312 -2.2312 -1.9523 -1.9523 -1.7460 -1.7460 -0.6873 -0.6873 -0.4492 -0.4492 -0.1043 -0.1043 0.1760 0.1760 2.4560 2.4560 2.7955 2.7955 8.1459 8.1459 8.6782 8.6782 k =-0.3160 0.6151 0.0996 ( 6348 PWs) bands (ev): -14.9436 -14.9436 -14.8043 -14.8043 -12.6299 -12.6299 -12.3680 -12.3680 -4.3822 -4.3822 -4.0485 -4.0485 -2.4623 -2.4623 -2.2365 -2.2365 -1.9723 -1.9723 -1.7623 -1.7623 -0.6505 -0.6505 -0.4278 -0.4278 -0.0495 -0.0495 0.1701 0.1701 2.4253 2.4253 2.7741 2.7741 8.1695 8.1695 8.6970 8.6970 k =-0.3160 0.6151 0.1138 ( 6350 PWs) bands (ev): -14.9395 -14.9395 -14.8093 -14.8093 -12.6212 -12.6212 -12.3763 -12.3763 -4.3645 -4.3645 -4.0454 -4.0454 -2.5019 -2.5019 -2.2458 -2.2458 -1.9938 -1.9938 -1.7803 -1.7803 -0.6061 -0.6061 -0.4039 -0.4039 -0.0009 -0.0009 0.1668 0.1668 2.3948 2.3948 2.7486 2.7486 8.1966 8.1966 8.7170 8.7170 k =-0.3160 0.6151 0.1280 ( 6352 PWs) bands (ev): -14.9348 -14.9348 -14.8147 -14.8147 -12.6115 -12.6115 -12.3855 -12.3855 -4.3449 -4.3449 -4.0434 -4.0434 -2.5378 -2.5378 -2.2611 -2.2611 -2.0133 -2.0133 -1.7994 -1.7994 -0.5566 -0.5566 -0.3774 -0.3774 0.0366 0.0366 0.1697 0.1697 2.3660 2.3660 2.7192 2.7192 8.2272 8.2272 8.7374 8.7374 k =-0.3160 0.6151 0.1422 ( 6338 PWs) bands (ev): -14.9298 -14.9298 -14.8206 -14.8206 -12.6010 -12.6010 -12.3956 -12.3956 -4.3238 -4.3238 -4.0430 -4.0430 -2.5687 -2.5687 -2.2839 -2.2839 -2.0278 -2.0278 -1.8192 -1.8192 -0.5048 -0.5048 -0.3484 -0.3484 0.0581 0.0581 0.1824 0.1824 2.3404 2.3404 2.6860 2.6860 8.2611 8.2611 8.7566 8.7566 k =-0.3160 0.6151 0.1565 ( 6338 PWs) bands (ev): -14.9243 -14.9243 -14.8269 -14.8269 -12.5897 -12.5897 -12.4065 -12.4065 -4.3012 -4.3012 -4.0446 -4.0446 -2.5939 -2.5939 -2.3141 -2.3141 -2.0359 -2.0359 -1.8393 -1.8393 -0.4538 -0.4538 -0.3167 -0.3167 0.0657 0.0657 0.2022 0.2022 2.3195 2.3195 2.6496 2.6496 8.2983 8.2983 8.7725 8.7725 k =-0.3160 0.6151 0.1707 ( 6346 PWs) bands (ev): -14.9184 -14.9184 -14.8335 -14.8335 -12.5777 -12.5777 -12.4181 -12.4181 -4.2775 -4.2775 -4.0487 -4.0487 -2.6124 -2.6124 -2.3502 -2.3502 -2.0377 -2.0377 -1.8596 -1.8596 -0.4061 -0.4061 -0.2834 -0.2834 0.0669 0.0669 0.2218 0.2218 2.3046 2.3046 2.6106 2.6106 8.3385 8.3385 8.7824 8.7824 k =-0.3160 0.6151 0.1849 ( 6350 PWs) bands (ev): -14.9121 -14.9121 -14.8404 -14.8404 -12.5651 -12.5651 -12.4302 -12.4302 -4.2531 -4.2531 -4.0555 -4.0555 -2.6240 -2.6240 -2.3899 -2.3899 -2.0344 -2.0344 -1.8797 -1.8797 -0.3635 -0.3635 -0.2508 -0.2508 0.0685 0.0685 0.2356 0.2356 2.2969 2.2969 2.5697 2.5697 8.3816 8.3816 8.7831 8.7831 k =-0.3160 0.6151 0.1991 ( 6346 PWs) bands (ev): -14.9055 -14.9055 -14.8476 -14.8476 -12.5521 -12.5521 -12.4430 -12.4430 -4.2282 -4.2282 -4.0653 -4.0653 -2.6281 -2.6281 -2.4308 -2.4308 -2.0270 -2.0270 -1.8996 -1.8996 -0.3261 -0.3261 -0.2234 -0.2234 0.0755 0.0755 0.2409 0.2409 2.2969 2.2969 2.5279 2.5279 8.4272 8.4272 8.7719 8.7719 k =-0.3160 0.6151 0.2134 ( 6349 PWs) bands (ev): -14.8987 -14.8987 -14.8549 -14.8549 -12.5387 -12.5387 -12.4561 -12.4561 -4.2032 -4.2032 -4.0781 -4.0781 -2.6249 -2.6249 -2.4709 -2.4709 -2.0166 -2.0166 -1.9191 -1.9191 -0.2933 -0.2933 -0.2059 -0.2059 0.0910 0.0910 0.2368 0.2368 2.3050 2.3050 2.4861 2.4861 8.4750 8.4750 8.7482 8.7482 k =-0.3160 0.6151 0.2276 ( 6351 PWs) bands (ev): -14.8917 -14.8917 -14.8622 -14.8622 -12.5250 -12.5250 -12.4696 -12.4696 -4.1787 -4.1787 -4.0937 -4.0937 -2.6143 -2.6143 -2.5087 -2.5087 -2.0039 -2.0039 -1.9380 -1.9380 -0.2645 -0.2645 -0.2005 -0.2005 0.1151 0.1151 0.2235 0.2235 2.3209 2.3209 2.4455 2.4455 8.5244 8.5244 8.7135 8.7135 k =-0.3160 0.6151 0.2418 ( 6358 PWs) bands (ev): -14.8845 -14.8845 -14.8697 -14.8697 -12.5112 -12.5112 -12.4834 -12.4834 -4.1550 -4.1550 -4.1119 -4.1119 -2.5968 -2.5968 -2.5429 -2.5429 -1.9894 -1.9894 -1.9561 -1.9561 -0.2398 -0.2398 -0.2061 -0.2061 0.1446 0.1446 0.2020 0.2020 2.3440 2.3440 2.4073 2.4073 8.5745 8.5745 8.6711 8.6711 k =-0.3160 0.6151 0.2560 ( 6352 PWs) bands (ev): -14.8776 -14.8776 -14.8766 -14.8766 -12.4977 -12.4977 -12.4968 -12.4968 -4.1329 -4.1329 -4.1322 -4.1322 -2.5730 -2.5730 -2.5723 -2.5723 -1.9737 -1.9737 -1.9730 -1.9730 -0.2202 -0.2202 -0.2196 -0.2196 0.1745 0.1745 0.1751 0.1751 2.3729 2.3729 2.3734 2.3734 8.6237 8.6237 8.6241 8.6241 k =-0.3160 0.6151 0.2560 ( 6352 PWs) bands (ev): -14.8776 -14.8776 -14.8766 -14.8766 -12.4977 -12.4977 -12.4968 -12.4968 -4.1329 -4.1329 -4.1322 -4.1322 -2.5730 -2.5730 -2.5723 -2.5723 -1.9737 -1.9737 -1.9730 -1.9730 -0.2202 -0.2202 -0.2196 -0.2196 0.1745 0.1745 0.1751 0.1751 2.3729 2.3729 2.3734 2.3734 8.6237 8.6237 8.6241 8.6241 k =-0.3226 0.6023 0.2560 ( 6352 PWs) bands (ev): -14.8810 -14.8810 -14.8801 -14.8801 -12.4952 -12.4952 -12.4944 -12.4944 -4.1278 -4.1278 -4.1272 -4.1272 -2.5409 -2.5409 -2.5403 -2.5403 -1.9924 -1.9924 -1.9917 -1.9917 -0.2280 -0.2280 -0.2273 -0.2273 0.1571 0.1571 0.1577 0.1577 2.3847 2.3847 2.3853 2.3853 8.6403 8.6403 8.6406 8.6406 k =-0.3291 0.5895 0.2560 ( 6360 PWs) bands (ev): -14.8848 -14.8848 -14.8839 -14.8839 -12.4927 -12.4927 -12.4918 -12.4918 -4.1221 -4.1221 -4.1215 -4.1215 -2.5074 -2.5074 -2.5067 -2.5067 -2.0099 -2.0099 -2.0091 -2.0091 -0.2362 -0.2362 -0.2355 -0.2355 0.1393 0.1393 0.1399 0.1399 2.3963 2.3963 2.3968 2.3968 8.6583 8.6583 8.6587 8.6587 k =-0.3357 0.5767 0.2560 ( 6364 PWs) bands (ev): -14.8889 -14.8889 -14.8880 -14.8880 -12.4900 -12.4900 -12.4892 -12.4892 -4.1158 -4.1158 -4.1152 -4.1152 -2.4731 -2.4731 -2.4724 -2.4724 -2.0256 -2.0256 -2.0249 -2.0249 -0.2448 -0.2448 -0.2442 -0.2442 0.1213 0.1213 0.1219 0.1219 2.4072 2.4072 2.4077 2.4077 8.6777 8.6777 8.6780 8.6780 k =-0.3423 0.5639 0.2560 ( 6356 PWs) bands (ev): -14.8931 -14.8931 -14.8922 -14.8922 -12.4874 -12.4874 -12.4865 -12.4865 -4.1089 -4.1089 -4.1082 -4.1082 -2.4388 -2.4388 -2.4382 -2.4382 -2.0388 -2.0388 -2.0382 -2.0382 -0.2540 -0.2540 -0.2533 -0.2533 0.1033 0.1033 0.1039 0.1039 2.4173 2.4173 2.4178 2.4178 8.6984 8.6984 8.6987 8.6987 k =-0.3488 0.5511 0.2560 ( 6350 PWs) bands (ev): -14.8976 -14.8976 -14.8967 -14.8967 -12.4846 -12.4846 -12.4838 -12.4838 -4.1013 -4.1013 -4.1007 -4.1007 -2.4059 -2.4059 -2.4052 -2.4052 -2.0486 -2.0486 -2.0479 -2.0479 -0.2636 -0.2636 -0.2630 -0.2630 0.0855 0.0855 0.0861 0.0861 2.4262 2.4262 2.4267 2.4267 8.7201 8.7201 8.7204 8.7204 k =-0.3554 0.5383 0.2560 ( 6354 PWs) bands (ev): -14.9022 -14.9022 -14.9013 -14.9013 -12.4819 -12.4819 -12.4811 -12.4811 -4.0932 -4.0932 -4.0925 -4.0925 -2.3759 -2.3759 -2.3752 -2.3752 -2.0534 -2.0534 -2.0527 -2.0527 -0.2737 -0.2737 -0.2731 -0.2731 0.0681 0.0681 0.0687 0.0687 2.4337 2.4337 2.4342 2.4342 8.7428 8.7428 8.7430 8.7430 k =-0.3620 0.5255 0.2560 ( 6358 PWs) bands (ev): -14.9070 -14.9070 -14.9061 -14.9061 -12.4791 -12.4791 -12.4783 -12.4783 -4.0844 -4.0844 -4.0838 -4.0838 -2.3507 -2.3507 -2.3501 -2.3501 -2.0515 -2.0515 -2.0509 -2.0509 -0.2844 -0.2844 -0.2837 -0.2837 0.0513 0.0513 0.0519 0.0519 2.4396 2.4396 2.4401 2.4401 8.7662 8.7662 8.7664 8.7664 k =-0.3686 0.5127 0.2560 ( 6358 PWs) bands (ev): -14.9118 -14.9118 -14.9109 -14.9109 -12.4764 -12.4764 -12.4756 -12.4756 -4.0752 -4.0752 -4.0746 -4.0746 -2.3322 -2.3322 -2.3316 -2.3316 -2.0414 -2.0414 -2.0408 -2.0408 -0.2954 -0.2954 -0.2948 -0.2948 0.0351 0.0351 0.0357 0.0357 2.4437 2.4437 2.4443 2.4443 8.7901 8.7901 8.7903 8.7903 k =-0.3751 0.4999 0.2560 ( 6352 PWs) bands (ev): -14.9167 -14.9167 -14.9158 -14.9158 -12.4737 -12.4737 -12.4729 -12.4729 -4.0655 -4.0655 -4.0649 -4.0649 -2.3213 -2.3213 -2.3207 -2.3207 -2.0224 -2.0224 -2.0217 -2.0217 -0.3069 -0.3069 -0.3063 -0.3063 0.0197 0.0197 0.0203 0.0203 2.4460 2.4460 2.4465 2.4465 8.8144 8.8144 8.8146 8.8146 k =-0.3817 0.4871 0.2560 ( 6356 PWs) bands (ev): -14.9216 -14.9216 -14.9207 -14.9207 -12.4710 -12.4710 -12.4702 -12.4702 -4.0554 -4.0554 -4.0548 -4.0548 -2.3175 -2.3175 -2.3168 -2.3168 -1.9952 -1.9952 -1.9945 -1.9945 -0.3186 -0.3186 -0.3180 -0.3180 0.0052 0.0052 0.0058 0.0058 2.4462 2.4462 2.4467 2.4467 8.8387 8.8387 8.8389 8.8389 k =-0.3883 0.4743 0.2560 ( 6360 PWs) bands (ev): -14.9264 -14.9264 -14.9255 -14.9255 -12.4685 -12.4685 -12.4676 -12.4676 -4.0450 -4.0450 -4.0444 -4.0444 -2.3191 -2.3191 -2.3184 -2.3184 -1.9616 -1.9616 -1.9609 -1.9609 -0.3305 -0.3305 -0.3300 -0.3300 -0.0083 -0.0083 -0.0077 -0.0077 2.4443 2.4443 2.4448 2.4448 8.8629 8.8629 8.8631 8.8631 k =-0.3948 0.4616 0.2560 ( 6360 PWs) bands (ev): -14.9312 -14.9312 -14.9303 -14.9303 -12.4659 -12.4659 -12.4651 -12.4651 -4.0344 -4.0344 -4.0338 -4.0338 -2.3245 -2.3245 -2.3238 -2.3238 -1.9236 -1.9236 -1.9230 -1.9230 -0.3426 -0.3426 -0.3420 -0.3420 -0.0209 -0.0209 -0.0203 -0.0203 2.4404 2.4404 2.4410 2.4410 8.8863 8.8863 8.8864 8.8864 k =-0.4014 0.4488 0.2560 ( 6354 PWs) bands (ev): -14.9359 -14.9359 -14.9350 -14.9350 -12.4635 -12.4635 -12.4627 -12.4627 -4.0237 -4.0237 -4.0230 -4.0230 -2.3324 -2.3324 -2.3317 -2.3317 -1.8829 -1.8829 -1.8823 -1.8823 -0.3545 -0.3545 -0.3540 -0.3540 -0.0326 -0.0326 -0.0320 -0.0320 2.4346 2.4346 2.4351 2.4351 8.9075 8.9075 8.9077 8.9077 k =-0.4080 0.4360 0.2560 ( 6366 PWs) bands (ev): -14.9404 -14.9404 -14.9395 -14.9395 -12.4612 -12.4612 -12.4604 -12.4604 -4.0129 -4.0129 -4.0122 -4.0122 -2.3416 -2.3416 -2.3409 -2.3409 -1.8409 -1.8409 -1.8402 -1.8402 -0.3663 -0.3663 -0.3657 -0.3657 -0.0433 -0.0433 -0.0427 -0.0427 2.4269 2.4269 2.4274 2.4274 8.9152 8.9152 8.9153 8.9153 k =-0.4146 0.4232 0.2560 ( 6360 PWs) bands (ev): -14.9448 -14.9448 -14.9439 -14.9439 -12.4590 -12.4590 -12.4582 -12.4582 -4.0022 -4.0022 -4.0015 -4.0015 -2.3515 -2.3515 -2.3508 -2.3508 -1.7985 -1.7985 -1.7978 -1.7978 -0.3777 -0.3777 -0.3772 -0.3772 -0.0530 -0.0530 -0.0524 -0.0524 2.4176 2.4176 2.4181 2.4181 8.8751 8.8751 8.8753 8.8753 k =-0.4211 0.4104 0.2560 ( 6354 PWs) bands (ev): -14.9490 -14.9490 -14.9481 -14.9481 -12.4569 -12.4569 -12.4561 -12.4561 -3.9916 -3.9916 -3.9910 -3.9910 -2.3616 -2.3616 -2.3609 -2.3609 -1.7565 -1.7565 -1.7559 -1.7559 -0.3887 -0.3887 -0.3881 -0.3881 -0.0619 -0.0619 -0.0613 -0.0613 2.4068 2.4068 2.4073 2.4073 8.8233 8.8233 8.8236 8.8236 k =-0.4277 0.3976 0.2560 ( 6350 PWs) bands (ev): -14.9530 -14.9530 -14.9521 -14.9521 -12.4550 -12.4550 -12.4542 -12.4542 -3.9814 -3.9814 -3.9808 -3.9808 -2.3716 -2.3716 -2.3709 -2.3709 -1.7157 -1.7157 -1.7151 -1.7151 -0.3990 -0.3990 -0.3985 -0.3985 -0.0699 -0.0699 -0.0693 -0.0693 2.3949 2.3949 2.3954 2.3954 8.7747 8.7747 8.7749 8.7749 k =-0.4343 0.3848 0.2560 ( 6350 PWs) bands (ev): -14.9567 -14.9567 -14.9558 -14.9558 -12.4532 -12.4532 -12.4524 -12.4524 -3.9716 -3.9716 -3.9710 -3.9710 -2.3811 -2.3811 -2.3804 -2.3804 -1.6766 -1.6766 -1.6760 -1.6760 -0.4087 -0.4087 -0.4081 -0.4081 -0.0771 -0.0771 -0.0764 -0.0764 2.3821 2.3821 2.3827 2.3827 8.7306 8.7306 8.7308 8.7308 k =-0.4409 0.3720 0.2560 ( 6350 PWs) bands (ev): -14.9601 -14.9601 -14.9592 -14.9592 -12.4515 -12.4515 -12.4507 -12.4507 -3.9623 -3.9623 -3.9617 -3.9617 -2.3901 -2.3901 -2.3894 -2.3894 -1.6397 -1.6397 -1.6391 -1.6391 -0.4174 -0.4174 -0.4169 -0.4169 -0.0834 -0.0834 -0.0828 -0.0828 2.3689 2.3689 2.3695 2.3695 8.6912 8.6912 8.6914 8.6914 k =-0.4474 0.3592 0.2560 ( 6350 PWs) bands (ev): -14.9633 -14.9633 -14.9624 -14.9624 -12.4501 -12.4501 -12.4492 -12.4492 -3.9537 -3.9537 -3.9531 -3.9531 -2.3984 -2.3984 -2.3977 -2.3977 -1.6055 -1.6055 -1.6049 -1.6049 -0.4253 -0.4253 -0.4248 -0.4248 -0.0891 -0.0891 -0.0885 -0.0885 2.3556 2.3556 2.3562 2.3562 8.6566 8.6566 8.6568 8.6568 k =-0.4540 0.3464 0.2560 ( 6326 PWs) bands (ev): -14.9661 -14.9661 -14.9652 -14.9652 -12.4487 -12.4487 -12.4479 -12.4479 -3.9458 -3.9458 -3.9452 -3.9452 -2.4059 -2.4059 -2.4053 -2.4053 -1.5743 -1.5743 -1.5737 -1.5737 -0.4322 -0.4322 -0.4317 -0.4317 -0.0940 -0.0940 -0.0934 -0.0934 2.3427 2.3427 2.3432 2.3432 8.6267 8.6267 8.6269 8.6269 k =-0.4606 0.3336 0.2560 ( 6316 PWs) bands (ev): -14.9686 -14.9686 -14.9677 -14.9677 -12.4476 -12.4476 -12.4468 -12.4468 -3.9388 -3.9388 -3.9381 -3.9381 -2.4126 -2.4126 -2.4119 -2.4119 -1.5466 -1.5466 -1.5460 -1.5460 -0.4382 -0.4382 -0.4376 -0.4376 -0.0982 -0.0982 -0.0976 -0.0976 2.3305 2.3305 2.3310 2.3310 8.6012 8.6012 8.6013 8.6013 k =-0.4671 0.3208 0.2560 ( 6316 PWs) bands (ev): -14.9707 -14.9707 -14.9698 -14.9698 -12.4466 -12.4466 -12.4458 -12.4458 -3.9326 -3.9326 -3.9320 -3.9320 -2.4183 -2.4183 -2.4176 -2.4176 -1.5226 -1.5226 -1.5221 -1.5221 -0.4432 -0.4432 -0.4426 -0.4426 -0.1017 -0.1017 -0.1011 -0.1011 2.3193 2.3193 2.3199 2.3199 8.5800 8.5800 8.5801 8.5801 k =-0.4737 0.3080 0.2560 ( 6320 PWs) bands (ev): -14.9725 -14.9725 -14.9716 -14.9716 -12.4458 -12.4458 -12.4450 -12.4450 -3.9275 -3.9275 -3.9268 -3.9268 -2.4230 -2.4230 -2.4223 -2.4223 -1.5027 -1.5027 -1.5021 -1.5021 -0.4472 -0.4472 -0.4466 -0.4466 -0.1046 -0.1046 -0.1039 -0.1039 2.3097 2.3097 2.3102 2.3102 8.5628 8.5628 8.5629 8.5629 k =-0.4803 0.2952 0.2560 ( 6332 PWs) bands (ev): -14.9738 -14.9738 -14.9730 -14.9730 -12.4451 -12.4451 -12.4443 -12.4443 -3.9234 -3.9234 -3.9228 -3.9228 -2.4267 -2.4267 -2.4260 -2.4260 -1.4869 -1.4869 -1.4864 -1.4864 -0.4502 -0.4502 -0.4497 -0.4497 -0.1068 -0.1068 -0.1061 -0.1061 2.3018 2.3018 2.3023 2.3023 8.5496 8.5496 8.5497 8.5497 k =-0.4869 0.2825 0.2560 ( 6318 PWs) bands (ev): -14.9748 -14.9748 -14.9740 -14.9740 -12.4447 -12.4447 -12.4439 -12.4439 -3.9205 -3.9205 -3.9198 -3.9198 -2.4293 -2.4293 -2.4287 -2.4287 -1.4756 -1.4756 -1.4750 -1.4750 -0.4524 -0.4524 -0.4519 -0.4519 -0.1083 -0.1083 -0.1077 -0.1077 2.2960 2.2960 2.2965 2.2965 8.5402 8.5402 8.5403 8.5403 k =-0.4934 0.2697 0.2560 ( 6322 PWs) bands (ev): -14.9754 -14.9754 -14.9745 -14.9745 -12.4444 -12.4444 -12.4436 -12.4436 -3.9187 -3.9187 -3.9181 -3.9181 -2.4310 -2.4310 -2.4303 -2.4303 -1.4687 -1.4687 -1.4681 -1.4681 -0.4537 -0.4537 -0.4531 -0.4531 -0.1093 -0.1093 -0.1087 -0.1087 2.2924 2.2924 2.2929 2.2929 8.5347 8.5347 8.5348 8.5348 k =-0.5000 0.2569 0.2560 ( 6320 PWs) bands (ev): -14.9756 -14.9756 -14.9747 -14.9747 -12.4443 -12.4443 -12.4435 -12.4435 -3.9181 -3.9181 -3.9175 -3.9175 -2.4315 -2.4315 -2.4308 -2.4308 -1.4664 -1.4664 -1.4658 -1.4658 -0.4541 -0.4541 -0.4536 -0.4536 -0.1096 -0.1096 -0.1090 -0.1090 2.2912 2.2912 2.2917 2.2917 8.5329 8.5329 8.5330 8.5330 k =-0.5000 0.2569 0.2560 ( 6320 PWs) bands (ev): -14.9756 -14.9756 -14.9747 -14.9747 -12.4443 -12.4443 -12.4435 -12.4435 -3.9181 -3.9181 -3.9175 -3.9175 -2.4315 -2.4315 -2.4308 -2.4308 -1.4664 -1.4664 -1.4658 -1.4658 -0.4541 -0.4541 -0.4536 -0.4536 -0.1096 -0.1096 -0.1090 -0.1090 2.2912 2.2912 2.2917 2.2917 8.5329 8.5329 8.5330 8.5330 k =-0.5000 0.2569 0.2418 ( 6326 PWs) bands (ev): -14.9929 -14.9929 -14.9571 -14.9571 -12.4801 -12.4801 -12.4080 -12.4080 -3.9719 -3.9719 -3.8627 -3.8627 -2.4574 -2.4574 -2.4041 -2.4041 -1.4965 -1.4965 -1.4359 -1.4359 -0.4901 -0.4901 -0.4260 -0.4260 -0.1355 -0.1355 -0.0752 -0.0752 2.2443 2.2443 2.3390 2.3390 8.5203 8.5203 8.5331 8.5331 k =-0.5000 0.2569 0.2276 ( 6322 PWs) bands (ev): -15.0100 -15.0100 -14.9387 -14.9387 -12.5162 -12.5162 -12.3726 -12.3726 -4.0247 -4.0247 -3.8070 -3.8070 -2.4826 -2.4826 -2.3763 -2.3763 -1.5266 -1.5266 -1.4065 -1.4065 -0.5306 -0.5306 -0.4122 -0.4122 -0.1485 -0.1485 -0.0372 -0.0372 2.1977 2.1977 2.3866 2.3866 8.4957 8.4957 8.5212 8.5212 k =-0.5000 0.2569 0.2134 ( 6316 PWs) bands (ev): -15.0265 -15.0265 -14.9202 -14.9202 -12.5522 -12.5522 -12.3379 -12.3379 -4.0759 -4.0759 -3.7509 -3.7509 -2.5067 -2.5067 -2.3480 -2.3480 -1.5559 -1.5559 -1.3786 -1.3786 -0.5727 -0.5727 -0.4164 -0.4164 -0.1442 -0.1442 0.0024 0.0024 2.1521 2.1521 2.4339 2.4339 8.4607 8.4607 8.4986 8.4986 k =-0.5000 0.2569 0.1991 ( 6316 PWs) bands (ev): -15.0423 -15.0423 -14.9016 -14.9016 -12.5876 -12.5876 -12.3042 -12.3042 -4.1253 -4.1253 -3.6949 -3.6949 -2.5296 -2.5296 -2.3194 -2.3194 -1.5840 -1.5840 -1.3530 -1.3530 -0.6146 -0.6146 -0.4365 -0.4365 -0.1249 -0.1249 0.0424 0.0424 2.1076 2.1076 2.4808 2.4808 8.4173 8.4173 8.4670 8.4670 k =-0.5000 0.2569 0.1849 ( 6312 PWs) bands (ev): -15.0573 -15.0573 -14.8831 -14.8831 -12.6222 -12.6222 -12.2717 -12.2717 -4.1726 -4.1726 -3.6391 -3.6391 -2.5512 -2.5512 -2.2907 -2.2907 -1.6105 -1.6105 -1.3307 -1.3307 -0.6549 -0.6549 -0.4666 -0.4666 -0.0962 -0.0962 0.0817 0.0817 2.0645 2.0645 2.5267 2.5267 8.3680 8.3680 8.4284 8.4284 k =-0.5000 0.2569 0.1707 ( 6320 PWs) bands (ev): -15.0715 -15.0715 -14.8649 -14.8649 -12.6558 -12.6558 -12.2406 -12.2406 -4.2175 -4.2175 -3.5842 -3.5842 -2.5715 -2.5715 -2.2623 -2.2623 -1.6351 -1.6351 -1.3126 -1.3126 -0.6924 -0.6924 -0.5015 -0.5015 -0.0632 -0.0632 0.1198 0.1198 2.0230 2.0230 2.5715 2.5715 8.3151 8.3151 8.3849 8.3849 k =-0.5000 0.2569 0.1565 ( 6332 PWs) bands (ev): -15.0847 -15.0847 -14.8471 -14.8471 -12.6881 -12.6881 -12.2111 -12.2111 -4.2599 -4.2599 -3.5304 -3.5304 -2.5903 -2.5903 -2.2346 -2.2346 -1.6575 -1.6575 -1.2997 -1.2997 -0.7264 -0.7264 -0.5377 -0.5377 -0.0288 -0.0288 0.1562 0.1562 1.9834 1.9834 2.6147 2.6147 8.2609 8.2609 8.3383 8.3383 k =-0.5000 0.2569 0.1422 ( 6328 PWs) bands (ev): -15.0970 -15.0970 -14.8300 -14.8300 -12.7188 -12.7188 -12.1834 -12.1834 -4.2994 -4.2994 -3.4782 -3.4782 -2.6077 -2.6077 -2.2078 -2.2078 -1.6773 -1.6773 -1.2928 -1.2928 -0.7565 -0.7565 -0.5728 -0.5728 0.0052 0.0052 0.1906 0.1906 1.9459 1.9459 2.6559 2.6559 8.2072 8.2072 8.2905 8.2905 k =-0.5000 0.2569 0.1280 ( 6340 PWs) bands (ev): -15.1082 -15.1082 -14.8137 -14.8137 -12.7477 -12.7477 -12.1578 -12.1578 -4.3359 -4.3359 -3.4282 -3.4282 -2.6236 -2.6236 -2.1826 -2.1826 -1.6944 -1.6944 -1.2920 -1.2920 -0.7831 -0.7831 -0.6045 -0.6045 0.0378 0.0378 0.2227 0.2227 1.9109 1.9109 2.6948 2.6948 8.1553 8.1553 8.2430 8.2430 k =-0.5000 0.2569 0.1138 ( 6344 PWs) bands (ev): -15.1184 -15.1184 -14.7984 -14.7984 -12.7744 -12.7744 -12.1343 -12.1343 -4.3692 -4.3692 -3.3809 -3.3809 -2.6379 -2.6379 -2.1593 -2.1593 -1.7084 -1.7084 -1.2971 -1.2971 -0.8071 -0.8071 -0.6312 -0.6312 0.0682 0.0682 0.2521 0.2521 1.8785 1.8785 2.7309 2.7309 8.1066 8.1066 8.1972 8.1972 k =-0.5000 0.2569 0.0996 ( 6352 PWs) bands (ev): -15.1275 -15.1275 -14.7843 -14.7843 -12.7988 -12.7988 -12.1132 -12.1132 -4.3990 -4.3990 -3.3369 -3.3369 -2.6506 -2.6506 -2.1385 -2.1385 -1.7192 -1.7192 -1.3070 -1.3070 -0.8300 -0.8300 -0.6515 -0.6515 0.0959 0.0959 0.2787 0.2787 1.8491 1.8491 2.7639 2.7639 8.0619 8.0619 8.1542 8.1542 k =-0.5000 0.2569 0.0853 ( 6346 PWs) bands (ev): -15.1354 -15.1354 -14.7716 -14.7716 -12.8205 -12.8205 -12.0945 -12.0945 -4.4252 -4.4252 -3.2968 -3.2968 -2.6617 -2.6617 -2.1205 -2.1205 -1.7269 -1.7269 -1.3200 -1.3200 -0.8525 -0.8525 -0.6650 -0.6650 0.1206 0.1206 0.3022 0.3022 1.8229 1.8229 2.7935 2.7935 8.0221 8.0221 8.1151 8.1151 k =-0.5000 0.2569 0.0711 ( 6336 PWs) bands (ev): -15.1421 -15.1421 -14.7605 -14.7605 -12.8393 -12.8393 -12.0785 -12.0785 -4.4476 -4.4476 -3.2613 -3.2613 -2.6712 -2.6712 -2.1056 -2.1056 -1.7316 -1.7316 -1.3346 -1.3346 -0.8744 -0.8744 -0.6726 -0.6726 0.1420 0.1420 0.3224 0.3224 1.8002 1.8002 2.8192 2.8192 7.9875 7.9875 8.0807 8.0807 k =-0.5000 0.2569 0.0569 ( 6336 PWs) bands (ev): -15.1477 -15.1477 -14.7511 -14.7511 -12.8550 -12.8550 -12.0653 -12.0653 -4.4662 -4.4662 -3.2310 -3.2310 -2.6790 -2.6790 -2.0939 -2.0939 -1.7340 -1.7340 -1.3491 -1.3491 -0.8949 -0.8949 -0.6758 -0.6758 0.1597 0.1597 0.3392 0.3392 1.7812 1.7812 2.8407 2.8407 7.9586 7.9586 8.0517 8.0517 k =-0.5000 0.2569 0.0427 ( 6338 PWs) bands (ev): -15.1520 -15.1520 -14.7436 -14.7436 -12.8675 -12.8675 -12.0549 -12.0549 -4.4808 -4.4808 -3.2067 -3.2067 -2.6850 -2.6850 -2.0852 -2.0852 -1.7345 -1.7345 -1.3618 -1.3618 -0.9126 -0.9126 -0.6764 -0.6764 0.1737 0.1737 0.3524 0.3524 1.7662 1.7662 2.8577 2.8577 7.9358 7.9358 8.0285 8.0285 k =-0.5000 0.2569 0.0284 ( 6330 PWs) bands (ev): -15.1551 -15.1551 -14.7382 -14.7382 -12.8765 -12.8765 -12.0474 -12.0474 -4.4912 -4.4912 -3.1888 -3.1888 -2.6894 -2.6894 -2.0794 -2.0794 -1.7341 -1.7341 -1.3718 -1.3718 -0.9262 -0.9262 -0.6759 -0.6759 0.1838 0.1838 0.3619 0.3619 1.7554 1.7554 2.8701 2.8701 7.9194 7.9194 8.0117 8.0117 k =-0.5000 0.2569 0.0142 ( 6322 PWs) bands (ev): -15.1570 -15.1570 -14.7349 -14.7349 -12.8819 -12.8819 -12.0428 -12.0428 -4.4975 -4.4975 -3.1779 -3.1779 -2.6920 -2.6920 -2.0760 -2.0760 -1.7335 -1.7335 -1.3781 -1.3781 -0.9348 -0.9348 -0.6751 -0.6751 0.1899 0.1899 0.3676 0.3676 1.7488 1.7488 2.8776 2.8776 7.9095 7.9095 8.0015 8.0015 k =-0.5000 0.2569 0.0000 ( 6318 PWs) bands (ev): -15.1576 -15.1576 -14.7338 -14.7338 -12.8837 -12.8837 -12.0413 -12.0413 -4.4996 -4.4996 -3.1742 -3.1742 -2.6929 -2.6929 -2.0749 -2.0749 -1.7332 -1.7332 -1.3803 -1.3803 -0.9378 -0.9378 -0.6748 -0.6748 0.1919 0.1919 0.3696 0.3696 1.7466 1.7466 2.8801 2.8801 7.9062 7.9062 7.9981 7.9981 k = 0.0000 0.0000 0.2560 ( 6310 PWs) bands (ev): -15.0237 -15.0237 -15.0228 -15.0228 -12.4757 -12.4757 -12.4749 -12.4749 -3.9446 -3.9446 -3.9439 -3.9439 -1.7041 -1.7041 -1.7034 -1.7034 -1.3197 -1.3197 -1.3191 -1.3191 -0.3790 -0.3790 -0.3785 -0.3785 0.2543 0.2543 0.2550 0.2550 2.2730 2.2730 2.2735 2.2735 6.4045 6.4045 6.4049 6.4049 k =-0.0128 0.0066 0.2560 ( 6304 PWs) bands (ev): -15.0236 -15.0236 -15.0227 -15.0227 -12.4756 -12.4756 -12.4748 -12.4748 -3.9445 -3.9445 -3.9438 -3.9438 -1.7068 -1.7068 -1.7031 -1.7031 -1.3225 -1.3225 -1.3172 -1.3172 -0.3816 -0.3816 -0.3762 -0.3762 0.2516 0.2516 0.2563 0.2563 2.2724 2.2724 2.2744 2.2744 6.4072 6.4072 6.4097 6.4097 k =-0.0256 0.0132 0.2560 ( 6312 PWs) bands (ev): -15.0234 -15.0234 -15.0225 -15.0225 -12.4755 -12.4755 -12.4747 -12.4747 -3.9445 -3.9445 -3.9437 -3.9437 -1.7121 -1.7121 -1.7050 -1.7050 -1.3265 -1.3265 -1.3159 -1.3159 -0.3847 -0.3847 -0.3738 -0.3738 0.2474 0.2474 0.2567 0.2567 2.2719 2.2719 2.2756 2.2756 6.4171 6.4171 6.4219 6.4219 k =-0.0385 0.0198 0.2560 ( 6312 PWs) bands (ev): -15.0230 -15.0230 -15.0221 -15.0221 -12.4752 -12.4752 -12.4744 -12.4744 -3.9443 -3.9443 -3.9435 -3.9435 -1.7196 -1.7196 -1.7092 -1.7092 -1.3311 -1.3311 -1.3156 -1.3156 -0.3880 -0.3880 -0.3717 -0.3717 0.2419 0.2419 0.2558 0.2558 2.2717 2.2717 2.2771 2.2771 6.4343 6.4343 6.4415 6.4415 k =-0.0513 0.0263 0.2560 ( 6304 PWs) bands (ev): -15.0225 -15.0225 -15.0216 -15.0216 -12.4749 -12.4749 -12.4741 -12.4741 -3.9441 -3.9441 -3.9431 -3.9431 -1.7294 -1.7294 -1.7160 -1.7160 -1.3364 -1.3364 -1.3162 -1.3162 -0.3915 -0.3915 -0.3699 -0.3699 0.2353 0.2353 0.2537 0.2537 2.2717 2.2717 2.2789 2.2789 6.4587 6.4587 6.4683 6.4683 k =-0.0641 0.0329 0.2560 ( 6298 PWs) bands (ev): -15.0218 -15.0218 -15.0209 -15.0209 -12.4744 -12.4744 -12.4736 -12.4736 -3.9439 -3.9439 -3.9427 -3.9427 -1.7414 -1.7414 -1.7253 -1.7253 -1.3421 -1.3421 -1.3177 -1.3177 -0.3952 -0.3952 -0.3684 -0.3684 0.2274 0.2274 0.2504 0.2504 2.2720 2.2720 2.2807 2.2807 6.4903 6.4903 6.5022 6.5022 k =-0.0769 0.0395 0.2560 ( 6294 PWs) bands (ev): -15.0210 -15.0210 -15.0201 -15.0201 -12.4739 -12.4739 -12.4731 -12.4731 -3.9436 -3.9436 -3.9423 -3.9423 -1.7555 -1.7555 -1.7370 -1.7370 -1.3482 -1.3482 -1.3201 -1.3201 -0.3991 -0.3991 -0.3671 -0.3671 0.2185 0.2185 0.2460 0.2460 2.2724 2.2724 2.2827 2.2827 6.5290 6.5290 6.5431 6.5431 k =-0.0897 0.0461 0.2560 ( 6302 PWs) bands (ev): -15.0200 -15.0200 -15.0191 -15.0191 -12.4733 -12.4733 -12.4725 -12.4725 -3.9432 -3.9432 -3.9417 -3.9417 -1.7716 -1.7716 -1.7512 -1.7512 -1.3545 -1.3545 -1.3232 -1.3232 -0.4031 -0.4031 -0.3661 -0.3661 0.2084 0.2084 0.2404 0.2404 2.2731 2.2731 2.2847 2.2847 6.5745 6.5745 6.5908 6.5908 k =-0.1026 0.0527 0.2560 ( 6306 PWs) bands (ev): -15.0189 -15.0189 -15.0180 -15.0180 -12.4725 -12.4725 -12.4717 -12.4717 -3.9427 -3.9427 -3.9411 -3.9411 -1.7896 -1.7896 -1.7678 -1.7678 -1.3610 -1.3610 -1.3269 -1.3269 -0.4072 -0.4072 -0.3653 -0.3653 0.1974 0.1974 0.2337 0.2337 2.2739 2.2739 2.2868 2.2868 6.6267 6.6267 6.6451 6.6451 k =-0.1154 0.0593 0.2560 ( 6302 PWs) bands (ev): -15.0177 -15.0177 -15.0168 -15.0168 -12.4718 -12.4718 -12.4709 -12.4709 -3.9422 -3.9422 -3.9405 -3.9405 -1.8095 -1.8095 -1.7866 -1.7866 -1.3674 -1.3674 -1.3313 -1.3313 -0.4115 -0.4115 -0.3649 -0.3649 0.1855 0.1855 0.2260 0.2260 2.2749 2.2749 2.2889 2.2889 6.6853 6.6853 6.7058 6.7058 k =-0.1282 0.0659 0.2560 ( 6310 PWs) bands (ev): -15.0164 -15.0164 -15.0155 -15.0155 -12.4709 -12.4709 -12.4701 -12.4701 -3.9416 -3.9416 -3.9397 -3.9397 -1.8310 -1.8310 -1.8076 -1.8076 -1.3737 -1.3737 -1.3361 -1.3361 -0.4159 -0.4159 -0.3647 -0.3647 0.1728 0.1728 0.2174 0.2174 2.2760 2.2760 2.2909 2.2909 6.7501 6.7501 6.7727 6.7727 k =-0.1410 0.0724 0.2560 ( 6318 PWs) bands (ev): -15.0149 -15.0149 -15.0141 -15.0141 -12.4699 -12.4699 -12.4691 -12.4691 -3.9409 -3.9409 -3.9390 -3.9390 -1.8541 -1.8541 -1.8304 -1.8304 -1.3800 -1.3800 -1.3413 -1.3413 -0.4203 -0.4203 -0.3648 -0.3648 0.1593 0.1593 0.2080 0.2080 2.2771 2.2771 2.2928 2.2928 6.8209 6.8209 6.8454 6.8454 k =-0.1538 0.0790 0.2560 ( 6316 PWs) bands (ev): -15.0134 -15.0134 -15.0125 -15.0125 -12.4689 -12.4689 -12.4681 -12.4681 -3.9402 -3.9402 -3.9381 -3.9381 -1.8786 -1.8786 -1.8551 -1.8551 -1.3861 -1.3861 -1.3469 -1.3469 -0.4248 -0.4248 -0.3652 -0.3652 0.1452 0.1452 0.1977 0.1977 2.2783 2.2783 2.2946 2.2946 6.8972 6.8972 6.9238 6.9238 k =-0.1667 0.0856 0.2560 ( 6304 PWs) bands (ev): -15.0118 -15.0118 -15.0109 -15.0109 -12.4679 -12.4679 -12.4671 -12.4671 -3.9395 -3.9395 -3.9372 -3.9372 -1.9044 -1.9044 -1.8812 -1.8812 -1.3919 -1.3919 -1.3527 -1.3527 -0.4293 -0.4293 -0.3658 -0.3658 0.1305 0.1305 0.1868 0.1868 2.2794 2.2794 2.2962 2.2962 6.9789 6.9789 7.0074 7.0074 k =-0.1795 0.0922 0.2560 ( 6310 PWs) bands (ev): -15.0101 -15.0101 -15.0092 -15.0092 -12.4668 -12.4668 -12.4660 -12.4660 -3.9386 -3.9386 -3.9363 -3.9363 -1.9312 -1.9312 -1.9086 -1.9086 -1.3977 -1.3977 -1.3586 -1.3586 -0.4338 -0.4338 -0.3666 -0.3666 0.1154 0.1154 0.1751 0.1751 2.2806 2.2806 2.2977 2.2977 7.0654 7.0654 7.0958 7.0958 k =-0.1923 0.0988 0.2560 ( 6314 PWs) bands (ev): -15.0083 -15.0083 -15.0074 -15.0074 -12.4656 -12.4656 -12.4648 -12.4648 -3.9378 -3.9378 -3.9354 -3.9354 -1.9589 -1.9589 -1.9371 -1.9371 -1.4032 -1.4032 -1.3647 -1.3647 -0.4383 -0.4383 -0.3677 -0.3677 0.1000 0.1000 0.1630 0.1630 2.2817 2.2817 2.2990 2.2990 7.1564 7.1564 7.1888 7.1888 k =-0.2051 0.1054 0.2560 ( 6314 PWs) bands (ev): -15.0065 -15.0065 -15.0056 -15.0056 -12.4644 -12.4644 -12.4636 -12.4636 -3.9368 -3.9368 -3.9344 -3.9344 -1.9873 -1.9873 -1.9664 -1.9664 -1.4085 -1.4085 -1.3708 -1.3708 -0.4427 -0.4427 -0.3690 -0.3690 0.0844 0.0844 0.1503 0.1503 2.2827 2.2827 2.3001 2.3001 7.2514 7.2514 7.2858 7.2858 k =-0.2179 0.1120 0.2560 ( 6314 PWs) bands (ev): -15.0046 -15.0046 -15.0037 -15.0037 -12.4632 -12.4632 -12.4624 -12.4624 -3.9359 -3.9359 -3.9334 -3.9334 -2.0161 -2.0161 -1.9963 -1.9963 -1.4136 -1.4136 -1.3769 -1.3769 -0.4469 -0.4469 -0.3706 -0.3706 0.0686 0.0686 0.1373 0.1373 2.2837 2.2837 2.3010 2.3010 7.3500 7.3500 7.3864 7.3864 k =-0.2308 0.1186 0.2560 ( 6304 PWs) bands (ev): -15.0027 -15.0027 -15.0018 -15.0018 -12.4620 -12.4620 -12.4611 -12.4611 -3.9349 -3.9349 -3.9323 -3.9323 -2.0452 -2.0452 -2.0265 -2.0265 -1.4185 -1.4185 -1.3831 -1.3831 -0.4510 -0.4510 -0.3724 -0.3724 0.0528 0.0528 0.1239 0.1239 2.2845 2.2845 2.3017 2.3017 7.4514 7.4514 7.4900 7.4900 k =-0.2436 0.1251 0.2560 ( 6306 PWs) bands (ev): -15.0008 -15.0008 -14.9999 -14.9999 -12.4607 -12.4607 -12.4599 -12.4599 -3.9338 -3.9338 -3.9313 -3.9313 -2.0744 -2.0744 -2.0568 -2.0568 -1.4232 -1.4232 -1.3891 -1.3891 -0.4550 -0.4550 -0.3743 -0.3743 0.0371 0.0371 0.1102 0.1102 2.2853 2.2853 2.3022 2.3022 7.5551 7.5551 7.5960 7.5960 k =-0.2564 0.1317 0.2560 ( 6316 PWs) bands (ev): -14.9988 -14.9988 -14.9980 -14.9980 -12.4594 -12.4594 -12.4586 -12.4586 -3.9328 -3.9328 -3.9302 -3.9302 -2.1034 -2.1034 -2.0870 -2.0870 -1.4277 -1.4277 -1.3951 -1.3951 -0.4587 -0.4587 -0.3765 -0.3765 0.0216 0.0216 0.0964 0.0964 2.2860 2.2860 2.3025 2.3025 7.6602 7.6602 7.7036 7.7036 k =-0.2692 0.1383 0.2560 ( 6326 PWs) bands (ev): -14.9969 -14.9969 -14.9960 -14.9960 -12.4582 -12.4582 -12.4574 -12.4574 -3.9317 -3.9317 -3.9292 -3.9292 -2.1322 -2.1322 -2.1169 -2.1169 -1.4320 -1.4320 -1.4009 -1.4009 -0.4621 -0.4621 -0.3789 -0.3789 0.0064 0.0064 0.0825 0.0825 2.2866 2.2866 2.3026 2.3026 7.7658 7.7658 7.8118 7.8118 k =-0.2821 0.1449 0.2560 ( 6328 PWs) bands (ev): -14.9950 -14.9950 -14.9941 -14.9941 -12.4569 -12.4569 -12.4561 -12.4561 -3.9307 -3.9307 -3.9281 -3.9281 -2.1604 -2.1604 -2.1462 -2.1462 -1.4361 -1.4361 -1.4067 -1.4067 -0.4653 -0.4653 -0.3815 -0.3815 -0.0083 -0.0083 0.0685 0.0685 2.2871 2.2871 2.3026 2.3026 7.8706 7.8706 7.9195 7.9195 k =-0.2949 0.1515 0.2560 ( 6324 PWs) bands (ev): -14.9931 -14.9931 -14.9922 -14.9922 -12.4557 -12.4557 -12.4549 -12.4549 -3.9296 -3.9296 -3.9271 -3.9271 -2.1880 -2.1880 -2.1749 -2.1749 -1.4400 -1.4400 -1.4122 -1.4122 -0.4681 -0.4681 -0.3844 -0.3844 -0.0225 -0.0225 0.0546 0.0546 2.2875 2.2875 2.3024 2.3024 7.9733 7.9733 8.0251 8.0251 k =-0.3077 0.1581 0.2560 ( 6324 PWs) bands (ev): -14.9913 -14.9913 -14.9904 -14.9904 -12.4545 -12.4545 -12.4537 -12.4537 -3.9285 -3.9285 -3.9261 -3.9261 -2.2147 -2.2147 -2.2027 -2.2027 -1.4437 -1.4437 -1.4176 -1.4176 -0.4706 -0.4706 -0.3874 -0.3874 -0.0360 -0.0360 0.0408 0.0408 2.2878 2.2878 2.3020 2.3020 8.0718 8.0719 8.1266 8.1266 k =-0.3205 0.1647 0.2560 ( 6324 PWs) bands (ev): -14.9895 -14.9895 -14.9886 -14.9886 -12.4533 -12.4533 -12.4525 -12.4525 -3.9274 -3.9274 -3.9251 -3.9251 -2.2405 -2.2405 -2.2295 -2.2295 -1.4471 -1.4471 -1.4227 -1.4227 -0.4727 -0.4727 -0.3907 -0.3907 -0.0487 -0.0487 0.0272 0.0272 2.2881 2.2881 2.3016 2.3016 8.1641 8.1641 8.2213 8.2213 k =-0.3333 0.1712 0.2560 ( 6332 PWs) bands (ev): -14.9877 -14.9877 -14.9869 -14.9869 -12.4522 -12.4522 -12.4514 -12.4514 -3.9264 -3.9264 -3.9241 -3.9241 -2.2650 -2.2650 -2.2551 -2.2551 -1.4503 -1.4503 -1.4277 -1.4277 -0.4744 -0.4744 -0.3942 -0.3942 -0.0606 -0.0606 0.0138 0.0138 2.2883 2.2883 2.3010 2.3010 8.2475 8.2475 8.3057 8.3057 k =-0.3462 0.1778 0.2560 ( 6336 PWs) bands (ev): -14.9861 -14.9861 -14.9852 -14.9852 -12.4511 -12.4511 -12.4503 -12.4503 -3.9253 -3.9253 -3.9232 -3.9232 -2.2884 -2.2884 -2.2793 -2.2793 -1.4533 -1.4533 -1.4324 -1.4324 -0.4756 -0.4756 -0.3979 -0.3979 -0.0715 -0.0715 0.0008 0.0008 2.2885 2.2885 2.3003 2.3003 8.3194 8.3194 8.3764 8.3764 k =-0.3590 0.1844 0.2560 ( 6332 PWs) bands (ev): -14.9845 -14.9845 -14.9837 -14.9837 -12.4501 -12.4501 -12.4493 -12.4493 -3.9244 -3.9244 -3.9223 -3.9223 -2.3103 -2.3103 -2.3021 -2.3021 -1.4560 -1.4560 -1.4368 -1.4368 -0.4764 -0.4764 -0.4019 -0.4019 -0.0814 -0.0814 -0.0119 -0.0119 2.2886 2.2886 2.2996 2.2996 8.3782 8.3782 8.4311 8.4311 k =-0.3718 0.1910 0.2560 ( 6332 PWs) bands (ev): -14.9831 -14.9831 -14.9822 -14.9822 -12.4492 -12.4492 -12.4484 -12.4484 -3.9234 -3.9234 -3.9215 -3.9215 -2.3306 -2.3306 -2.3234 -2.3234 -1.4584 -1.4584 -1.4410 -1.4410 -0.4768 -0.4768 -0.4061 -0.4061 -0.0901 -0.0901 -0.0241 -0.0241 2.2887 2.2887 2.2988 2.2988 8.4237 8.4237 8.4701 8.4701 k =-0.3846 0.1976 0.2560 ( 6322 PWs) bands (ev): -14.9817 -14.9817 -14.9809 -14.9809 -12.4483 -12.4483 -12.4475 -12.4475 -3.9225 -3.9225 -3.9207 -3.9207 -2.3493 -2.3493 -2.3429 -2.3429 -1.4606 -1.4606 -1.4449 -1.4449 -0.4766 -0.4766 -0.4106 -0.4106 -0.0977 -0.0977 -0.0359 -0.0359 2.2889 2.2889 2.2980 2.2980 8.4573 8.4573 8.4963 8.4963 k =-0.3974 0.2042 0.2560 ( 6320 PWs) bands (ev): -14.9805 -14.9805 -14.9796 -14.9796 -12.4475 -12.4475 -12.4467 -12.4467 -3.9217 -3.9217 -3.9200 -3.9200 -2.3663 -2.3663 -2.3607 -2.3607 -1.4625 -1.4625 -1.4486 -1.4486 -0.4759 -0.4759 -0.4152 -0.4152 -0.1040 -0.1040 -0.0470 -0.0470 2.2890 2.2890 2.2972 2.2972 8.4812 8.4812 8.5131 8.5131 k =-0.4103 0.2108 0.2560 ( 6328 PWs) bands (ev): -14.9794 -14.9794 -14.9785 -14.9785 -12.4468 -12.4468 -12.4460 -12.4460 -3.9209 -3.9209 -3.9194 -3.9194 -2.3815 -2.3815 -2.3766 -2.3766 -1.4640 -1.4640 -1.4519 -1.4519 -0.4748 -0.4748 -0.4200 -0.4200 -0.1091 -0.1091 -0.0576 -0.0576 2.2892 2.2892 2.2964 2.2964 8.4978 8.4978 8.5235 8.5235 k =-0.4231 0.2173 0.2560 ( 6324 PWs) bands (ev): -14.9784 -14.9784 -14.9775 -14.9775 -12.4461 -12.4461 -12.4453 -12.4453 -3.9202 -3.9202 -3.9189 -3.9189 -2.3947 -2.3947 -2.3906 -2.3906 -1.4653 -1.4653 -1.4549 -1.4549 -0.4731 -0.4731 -0.4249 -0.4249 -0.1128 -0.1128 -0.0675 -0.0675 2.2893 2.2893 2.2956 2.2956 8.5093 8.5093 8.5297 8.5297 k =-0.4359 0.2239 0.2560 ( 6316 PWs) bands (ev): -14.9776 -14.9776 -14.9767 -14.9767 -12.4456 -12.4456 -12.4448 -12.4448 -3.9196 -3.9196 -3.9184 -3.9184 -2.4060 -2.4060 -2.4026 -2.4026 -1.4663 -1.4663 -1.4576 -1.4576 -0.4710 -0.4710 -0.4299 -0.4299 -0.1153 -0.1153 -0.0766 -0.0766 2.2896 2.2896 2.2948 2.2948 8.5172 8.5172 8.5331 8.5331 k =-0.4487 0.2305 0.2560 ( 6312 PWs) bands (ev): -14.9769 -14.9769 -14.9760 -14.9760 -12.4451 -12.4451 -12.4443 -12.4443 -3.9191 -3.9191 -3.9181 -3.9181 -2.4153 -2.4153 -2.4125 -2.4125 -1.4669 -1.4669 -1.4599 -1.4599 -0.4684 -0.4684 -0.4348 -0.4348 -0.1165 -0.1165 -0.0850 -0.0850 2.2898 2.2898 2.2940 2.2940 8.5227 8.5227 8.5347 8.5347 k =-0.4615 0.2371 0.2560 ( 6320 PWs) bands (ev): -14.9763 -14.9763 -14.9755 -14.9755 -12.4448 -12.4448 -12.4440 -12.4440 -3.9187 -3.9187 -3.9178 -3.9178 -2.4225 -2.4225 -2.4204 -2.4204 -1.4672 -1.4672 -1.4620 -1.4620 -0.4653 -0.4653 -0.4398 -0.4398 -0.1165 -0.1165 -0.0925 -0.0925 2.2901 2.2901 2.2933 2.2933 8.5265 8.5266 8.5351 8.5351 k =-0.4744 0.2437 0.2560 ( 6324 PWs) bands (ev): -14.9759 -14.9759 -14.9751 -14.9751 -12.4445 -12.4445 -12.4437 -12.4437 -3.9184 -3.9184 -3.9176 -3.9176 -2.4276 -2.4276 -2.4261 -2.4261 -1.4672 -1.4672 -1.4637 -1.4637 -0.4618 -0.4618 -0.4447 -0.4447 -0.1152 -0.1152 -0.0990 -0.0990 2.2905 2.2905 2.2927 2.2927 8.5293 8.5293 8.5349 8.5349 k =-0.4872 0.2503 0.2560 ( 6318 PWs) bands (ev): -14.9757 -14.9757 -14.9748 -14.9748 -12.4444 -12.4444 -12.4436 -12.4436 -3.9182 -3.9182 -3.9175 -3.9175 -2.4305 -2.4305 -2.4296 -2.4296 -1.4668 -1.4668 -1.4650 -1.4650 -0.4580 -0.4580 -0.4493 -0.4493 -0.1128 -0.1128 -0.1047 -0.1047 2.2909 2.2909 2.2921 2.2921 8.5314 8.5314 8.5341 8.5341 k =-0.5000 0.2569 0.2560 ( 6320 PWs) bands (ev): -14.9756 -14.9756 -14.9747 -14.9747 -12.4443 -12.4443 -12.4435 -12.4435 -3.9181 -3.9181 -3.9175 -3.9175 -2.4315 -2.4315 -2.4308 -2.4308 -1.4664 -1.4664 -1.4658 -1.4658 -0.4541 -0.4541 -0.4536 -0.4536 -0.1096 -0.1096 -0.1090 -0.1090 2.2912 2.2912 2.2917 2.2917 8.5329 8.5329 8.5330 8.5330 Writing output data file Br.save init_run : 0.17s CPU 0.54s WALL ( 1 calls) electrons : 108.03s CPU 111.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 108.02s CPU 111.45s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.04s WALL ( 356 calls) cegterg : 99.39s CPU 100.85s WALL ( 545 calls) Called by sum_band: Called by *egterg: h_psi : 63.36s CPU 64.37s WALL ( 8521 calls) s_psi : 1.22s CPU 1.21s WALL ( 8521 calls) g_psi : 0.18s CPU 0.23s WALL ( 7620 calls) cdiaghg : 29.28s CPU 30.03s WALL ( 7976 calls) cegterg:over : 3.85s CPU 3.90s WALL ( 7620 calls) cegterg:upda : 4.08s CPU 3.99s WALL ( 7620 calls) cegterg:last : 1.96s CPU 2.03s WALL ( 1257 calls) cdiaghg:chol : 1.61s CPU 1.71s WALL ( 7976 calls) cdiaghg:inve : 0.69s CPU 0.73s WALL ( 7976 calls) cdiaghg:para : 1.85s CPU 1.86s WALL ( 15952 calls) Called by h_psi: h_psi:vloc : 59.86s CPU 60.90s WALL ( 8521 calls) h_psi:vnl : 3.32s CPU 3.26s WALL ( 8521 calls) add_vuspsi : 1.43s CPU 1.37s WALL ( 8521 calls) General routines calbec : 1.87s CPU 1.87s WALL ( 8521 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 56.06s CPU 57.19s WALL ( 525004 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.25s WALL ( 712 calls) Parallel routines fft_scatter : 17.43s CPU 17.97s WALL ( 525027 calls) PWSCF : 2m 3.02s CPU 2m44.12s WALL This run was terminated on: 16: 6:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=