Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 0:57 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 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 25 14 5 437 187 38 Max 26 15 6 441 197 41 Sum 915 531 183 15793 6959 1415 bravais-lattice index = 14 lattice parameter (alat) = 7.1341 a.u. unit-cell volume = 159.2959 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 12.00 number of Kohn-Sham states= 20 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry convergence threshold = 1.0E-08 mixing beta = 0.7000 number of iterations used = 8 plain mixing Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.134138 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.719032 celldm(5)= 0.719032 celldm(6)= 0.719032 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.719032 0.694977 0.000000 ) a(3) = ( 0.719032 0.290693 0.631262 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.034611 -0.662605 ) b(2) = ( 0.000000 1.438896 -0.662605 ) b(3) = ( 0.000000 0.000000 1.584129 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 O 6.00 15.99940 O( 1.00) 2 Sym. Ops., with inversion, found 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= 666 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0007513 k( 2) = ( 0.0000000 0.0000000 0.1440118), wk = 0.0015026 k( 3) = ( 0.0000000 0.0000000 0.2880235), wk = 0.0015026 k( 4) = ( 0.0000000 0.0000000 0.4320353), wk = 0.0015026 k( 5) = ( 0.0000000 0.0000000 0.5760471), wk = 0.0015026 k( 6) = ( 0.0000000 0.0000000 0.7200588), wk = 0.0015026 k( 7) = ( 0.0000000 0.1308087 -0.0602368), wk = 0.0015026 k( 8) = ( 0.0000000 0.1308087 0.0837749), wk = 0.0015026 k( 9) = ( 0.0000000 0.1308087 0.2277867), wk = 0.0015026 k( 10) = ( 0.0000000 0.1308087 0.3717985), wk = 0.0015026 k( 11) = ( 0.0000000 0.1308087 0.5158102), wk = 0.0015026 k( 12) = ( 0.0000000 0.1308087 0.6598220), wk = 0.0015026 k( 13) = ( 0.0000000 0.1308087 -0.7802957), wk = 0.0015026 k( 14) = ( 0.0000000 0.1308087 -0.6362839), wk = 0.0015026 k( 15) = ( 0.0000000 0.1308087 -0.4922721), wk = 0.0015026 k( 16) = ( 0.0000000 0.1308087 -0.3482604), wk = 0.0015026 k( 17) = ( 0.0000000 0.1308087 -0.2042486), wk = 0.0015026 k( 18) = ( 0.0000000 0.2616174 -0.1204736), wk = 0.0015026 k( 19) = ( 0.0000000 0.2616174 0.0235381), wk = 0.0015026 k( 20) = ( 0.0000000 0.2616174 0.1675499), wk = 0.0015026 k( 21) = ( 0.0000000 0.2616174 0.3115617), wk = 0.0015026 k( 22) = ( 0.0000000 0.2616174 0.4555734), wk = 0.0015026 k( 23) = ( 0.0000000 0.2616174 0.5995852), wk = 0.0015026 k( 24) = ( 0.0000000 0.2616174 -0.8405325), wk = 0.0015026 k( 25) = ( 0.0000000 0.2616174 -0.6965207), wk = 0.0015026 k( 26) = ( 0.0000000 0.2616174 -0.5525089), wk = 0.0015026 k( 27) = ( 0.0000000 0.2616174 -0.4084972), wk = 0.0015026 k( 28) = ( 0.0000000 0.2616174 -0.2644854), wk = 0.0015026 k( 29) = ( 0.0000000 0.3924261 -0.1807105), wk = 0.0015026 k( 30) = ( 0.0000000 0.3924261 -0.0366987), wk = 0.0015026 k( 31) = ( 0.0000000 0.3924261 0.1073131), wk = 0.0015026 k( 32) = ( 0.0000000 0.3924261 0.2513248), wk = 0.0015026 k( 33) = ( 0.0000000 0.3924261 0.3953366), wk = 0.0015026 k( 34) = ( 0.0000000 0.3924261 0.5393484), wk = 0.0015026 k( 35) = ( 0.0000000 0.3924261 -0.9007693), wk = 0.0015026 k( 36) = ( 0.0000000 0.3924261 -0.7567575), wk = 0.0015026 k( 37) = ( 0.0000000 0.3924261 -0.6127458), wk = 0.0015026 k( 38) = ( 0.0000000 0.3924261 -0.4687340), wk = 0.0015026 k( 39) = ( 0.0000000 0.3924261 -0.3247222), wk = 0.0015026 k( 40) = ( 0.0000000 0.5232348 -0.2409473), wk = 0.0015026 k( 41) = ( 0.0000000 0.5232348 -0.0969355), wk = 0.0015026 k( 42) = ( 0.0000000 0.5232348 0.0470762), wk = 0.0015026 k( 43) = ( 0.0000000 0.5232348 0.1910880), wk = 0.0015026 k( 44) = ( 0.0000000 0.5232348 0.3350998), wk = 0.0015026 k( 45) = ( 0.0000000 0.5232348 0.4791115), wk = 0.0015026 k( 46) = ( 0.0000000 0.5232348 -0.9610061), wk = 0.0015026 k( 47) = ( 0.0000000 0.5232348 -0.8169944), wk = 0.0015026 k( 48) = ( 0.0000000 0.5232348 -0.6729826), wk = 0.0015026 k( 49) = ( 0.0000000 0.5232348 -0.5289708), wk = 0.0015026 k( 50) = ( 0.0000000 0.5232348 -0.3849591), wk = 0.0015026 k( 51) = ( 0.0000000 0.6540435 -0.3011841), wk = 0.0015026 k( 52) = ( 0.0000000 0.6540435 -0.1571724), wk = 0.0015026 k( 53) = ( 0.0000000 0.6540435 -0.0131606), wk = 0.0015026 k( 54) = ( 0.0000000 0.6540435 0.1308512), wk = 0.0015026 k( 55) = ( 0.0000000 0.6540435 0.2748629), wk = 0.0015026 k( 56) = ( 0.0000000 0.6540435 0.4188747), wk = 0.0015026 k( 57) = ( 0.0000000 0.6540435 -1.0212430), wk = 0.0015026 k( 58) = ( 0.0000000 0.6540435 -0.8772312), wk = 0.0015026 k( 59) = ( 0.0000000 0.6540435 -0.7332194), wk = 0.0015026 k( 60) = ( 0.0000000 0.6540435 -0.5892077), wk = 0.0015026 k( 61) = ( 0.0000000 0.6540435 -0.4451959), wk = 0.0015026 k( 62) = ( 0.0909091 -0.0940556 -0.0602368), wk = 0.0015026 k( 63) = ( 0.0909091 -0.0940556 0.0837749), wk = 0.0015026 k( 64) = ( 0.0909091 -0.0940556 0.2277867), wk = 0.0015026 k( 65) = ( 0.0909091 -0.0940556 0.3717985), wk = 0.0015026 k( 66) = ( 0.0909091 -0.0940556 0.5158102), wk = 0.0015026 k( 67) = ( 0.0909091 -0.0940556 0.6598220), wk = 0.0015026 k( 68) = ( 0.0909091 -0.0940556 -0.7802957), wk = 0.0015026 k( 69) = ( 0.0909091 -0.0940556 -0.6362839), wk = 0.0015026 k( 70) = ( 0.0909091 -0.0940556 -0.4922721), wk = 0.0015026 k( 71) = ( 0.0909091 -0.0940556 -0.3482604), wk = 0.0015026 k( 72) = ( 0.0909091 -0.0940556 -0.2042486), wk = 0.0015026 k( 73) = ( 0.0909091 0.0367531 -0.1204736), wk = 0.0015026 k( 74) = ( 0.0909091 0.0367531 0.0235381), wk = 0.0015026 k( 75) = ( 0.0909091 0.0367531 0.1675499), wk = 0.0015026 k( 76) = ( 0.0909091 0.0367531 0.3115617), wk = 0.0015026 k( 77) = ( 0.0909091 0.0367531 0.4555734), wk = 0.0015026 k( 78) = ( 0.0909091 0.0367531 0.5995852), wk = 0.0015026 k( 79) = ( 0.0909091 0.0367531 -0.8405325), wk = 0.0015026 k( 80) = ( 0.0909091 0.0367531 -0.6965207), wk = 0.0015026 k( 81) = ( 0.0909091 0.0367531 -0.5525089), wk = 0.0015026 k( 82) = ( 0.0909091 0.0367531 -0.4084972), wk = 0.0015026 k( 83) = ( 0.0909091 0.0367531 -0.2644854), wk = 0.0015026 k( 84) = ( 0.0909091 0.1675618 -0.1807105), wk = 0.0015026 k( 85) = ( 0.0909091 0.1675618 -0.0366987), wk = 0.0015026 k( 86) = ( 0.0909091 0.1675618 0.1073131), wk = 0.0015026 k( 87) = ( 0.0909091 0.1675618 0.2513248), wk = 0.0015026 k( 88) = ( 0.0909091 0.1675618 0.3953366), wk = 0.0015026 k( 89) = ( 0.0909091 0.1675618 0.5393484), wk = 0.0015026 k( 90) = ( 0.0909091 0.1675618 -0.9007693), wk = 0.0015026 k( 91) = ( 0.0909091 0.1675618 -0.7567575), wk = 0.0015026 k( 92) = ( 0.0909091 0.1675618 -0.6127458), wk = 0.0015026 k( 93) = ( 0.0909091 0.1675618 -0.4687340), wk = 0.0015026 k( 94) = ( 0.0909091 0.1675618 -0.3247222), wk = 0.0015026 k( 95) = ( 0.0909091 0.2983705 -0.2409473), wk = 0.0015026 k( 96) = ( 0.0909091 0.2983705 -0.0969355), wk = 0.0015026 k( 97) = ( 0.0909091 0.2983705 0.0470762), wk = 0.0015026 k( 98) = ( 0.0909091 0.2983705 0.1910880), wk = 0.0015026 k( 99) = ( 0.0909091 0.2983705 0.3350998), wk = 0.0015026 k( 100) = ( 0.0909091 0.2983705 0.4791115), wk = 0.0015026 k( 101) = ( 0.0909091 0.2983705 -0.9610061), wk = 0.0015026 k( 102) = ( 0.0909091 0.2983705 -0.8169944), wk = 0.0015026 k( 103) = ( 0.0909091 0.2983705 -0.6729826), wk = 0.0015026 k( 104) = ( 0.0909091 0.2983705 -0.5289708), wk = 0.0015026 k( 105) = ( 0.0909091 0.2983705 -0.3849591), wk = 0.0015026 k( 106) = ( 0.0909091 0.4291792 -0.3011841), wk = 0.0015026 k( 107) = ( 0.0909091 0.4291792 -0.1571724), wk = 0.0015026 k( 108) = ( 0.0909091 0.4291792 -0.0131606), wk = 0.0015026 k( 109) = ( 0.0909091 0.4291792 0.1308512), wk = 0.0015026 k( 110) = ( 0.0909091 0.4291792 0.2748629), wk = 0.0015026 k( 111) = ( 0.0909091 0.4291792 0.4188747), wk = 0.0015026 k( 112) = ( 0.0909091 0.4291792 -1.0212430), wk = 0.0015026 k( 113) = ( 0.0909091 0.4291792 -0.8772312), wk = 0.0015026 k( 114) = ( 0.0909091 0.4291792 -0.7332194), wk = 0.0015026 k( 115) = ( 0.0909091 0.4291792 -0.5892077), wk = 0.0015026 k( 116) = ( 0.0909091 0.4291792 -0.4451959), wk = 0.0015026 k( 117) = ( 0.0909091 0.5599879 -0.3614209), wk = 0.0015026 k( 118) = ( 0.0909091 0.5599879 -0.2174092), wk = 0.0015026 k( 119) = ( 0.0909091 0.5599879 -0.0733974), wk = 0.0015026 k( 120) = ( 0.0909091 0.5599879 0.0706144), wk = 0.0015026 k( 121) = ( 0.0909091 0.5599879 0.2146261), wk = 0.0015026 k( 122) = ( 0.0909091 0.5599879 0.3586379), wk = 0.0015026 k( 123) = ( 0.0909091 0.5599879 -1.0814798), wk = 0.0015026 k( 124) = ( 0.0909091 0.5599879 -0.9374680), wk = 0.0015026 k( 125) = ( 0.0909091 0.5599879 -0.7934562), wk = 0.0015026 k( 126) = ( 0.0909091 0.5599879 -0.6494445), wk = 0.0015026 k( 127) = ( 0.0909091 0.5599879 -0.5054327), wk = 0.0015026 k( 128) = ( 0.0909091 -0.7480990 0.2409473), wk = 0.0015026 k( 129) = ( 0.0909091 -0.7480990 0.3849591), wk = 0.0015026 k( 130) = ( 0.0909091 -0.7480990 0.5289708), wk = 0.0015026 k( 131) = ( 0.0909091 -0.7480990 0.6729826), wk = 0.0015026 k( 132) = ( 0.0909091 -0.7480990 0.8169944), wk = 0.0015026 k( 133) = ( 0.0909091 -0.7480990 0.9610061), wk = 0.0015026 k( 134) = ( 0.0909091 -0.7480990 -0.4791115), wk = 0.0015026 k( 135) = ( 0.0909091 -0.7480990 -0.3350998), wk = 0.0015026 k( 136) = ( 0.0909091 -0.7480990 -0.1910880), wk = 0.0015026 k( 137) = ( 0.0909091 -0.7480990 -0.0470762), wk = 0.0015026 k( 138) = ( 0.0909091 -0.7480990 0.0969355), wk = 0.0015026 k( 139) = ( 0.0909091 -0.6172903 0.1807105), wk = 0.0015026 k( 140) = ( 0.0909091 -0.6172903 0.3247222), wk = 0.0015026 k( 141) = ( 0.0909091 -0.6172903 0.4687340), wk = 0.0015026 k( 142) = ( 0.0909091 -0.6172903 0.6127458), wk = 0.0015026 k( 143) = ( 0.0909091 -0.6172903 0.7567575), wk = 0.0015026 k( 144) = ( 0.0909091 -0.6172903 0.9007693), wk = 0.0015026 k( 145) = ( 0.0909091 -0.6172903 -0.5393484), wk = 0.0015026 k( 146) = ( 0.0909091 -0.6172903 -0.3953366), wk = 0.0015026 k( 147) = ( 0.0909091 -0.6172903 -0.2513248), wk = 0.0015026 k( 148) = ( 0.0909091 -0.6172903 -0.1073131), wk = 0.0015026 k( 149) = ( 0.0909091 -0.6172903 0.0366987), wk = 0.0015026 k( 150) = ( 0.0909091 -0.4864816 0.1204736), wk = 0.0015026 k( 151) = ( 0.0909091 -0.4864816 0.2644854), wk = 0.0015026 k( 152) = ( 0.0909091 -0.4864816 0.4084972), wk = 0.0015026 k( 153) = ( 0.0909091 -0.4864816 0.5525089), wk = 0.0015026 k( 154) = ( 0.0909091 -0.4864816 0.6965207), wk = 0.0015026 k( 155) = ( 0.0909091 -0.4864816 0.8405325), wk = 0.0015026 k( 156) = ( 0.0909091 -0.4864816 -0.5995852), wk = 0.0015026 k( 157) = ( 0.0909091 -0.4864816 -0.4555734), wk = 0.0015026 k( 158) = ( 0.0909091 -0.4864816 -0.3115617), wk = 0.0015026 k( 159) = ( 0.0909091 -0.4864816 -0.1675499), wk = 0.0015026 k( 160) = ( 0.0909091 -0.4864816 -0.0235381), wk = 0.0015026 k( 161) = ( 0.0909091 -0.3556730 0.0602368), wk = 0.0015026 k( 162) = ( 0.0909091 -0.3556730 0.2042486), wk = 0.0015026 k( 163) = ( 0.0909091 -0.3556730 0.3482604), wk = 0.0015026 k( 164) = ( 0.0909091 -0.3556730 0.4922721), wk = 0.0015026 k( 165) = ( 0.0909091 -0.3556730 0.6362839), wk = 0.0015026 k( 166) = ( 0.0909091 -0.3556730 0.7802957), wk = 0.0015026 k( 167) = ( 0.0909091 -0.3556730 -0.6598220), wk = 0.0015026 k( 168) = ( 0.0909091 -0.3556730 -0.5158102), wk = 0.0015026 k( 169) = ( 0.0909091 -0.3556730 -0.3717985), wk = 0.0015026 k( 170) = ( 0.0909091 -0.3556730 -0.2277867), wk = 0.0015026 k( 171) = ( 0.0909091 -0.3556730 -0.0837749), wk = 0.0015026 k( 172) = ( 0.0909091 -0.2248643 0.0000000), wk = 0.0015026 k( 173) = ( 0.0909091 -0.2248643 0.1440118), wk = 0.0015026 k( 174) = ( 0.0909091 -0.2248643 0.2880235), wk = 0.0015026 k( 175) = ( 0.0909091 -0.2248643 0.4320353), wk = 0.0015026 k( 176) = ( 0.0909091 -0.2248643 0.5760471), wk = 0.0015026 k( 177) = ( 0.0909091 -0.2248643 0.7200588), wk = 0.0015026 k( 178) = ( 0.0909091 -0.2248643 -0.7200588), wk = 0.0015026 k( 179) = ( 0.0909091 -0.2248643 -0.5760471), wk = 0.0015026 k( 180) = ( 0.0909091 -0.2248643 -0.4320353), wk = 0.0015026 k( 181) = ( 0.0909091 -0.2248643 -0.2880235), wk = 0.0015026 k( 182) = ( 0.0909091 -0.2248643 -0.1440118), wk = 0.0015026 k( 183) = ( 0.1818182 -0.1881111 -0.1204736), wk = 0.0015026 k( 184) = ( 0.1818182 -0.1881111 0.0235381), wk = 0.0015026 k( 185) = ( 0.1818182 -0.1881111 0.1675499), wk = 0.0015026 k( 186) = ( 0.1818182 -0.1881111 0.3115617), wk = 0.0015026 k( 187) = ( 0.1818182 -0.1881111 0.4555734), wk = 0.0015026 k( 188) = ( 0.1818182 -0.1881111 0.5995852), wk = 0.0015026 k( 189) = ( 0.1818182 -0.1881111 -0.8405325), wk = 0.0015026 k( 190) = ( 0.1818182 -0.1881111 -0.6965207), wk = 0.0015026 k( 191) = ( 0.1818182 -0.1881111 -0.5525089), wk = 0.0015026 k( 192) = ( 0.1818182 -0.1881111 -0.4084972), wk = 0.0015026 k( 193) = ( 0.1818182 -0.1881111 -0.2644854), wk = 0.0015026 k( 194) = ( 0.1818182 -0.0573025 -0.1807105), wk = 0.0015026 k( 195) = ( 0.1818182 -0.0573025 -0.0366987), wk = 0.0015026 k( 196) = ( 0.1818182 -0.0573025 0.1073131), wk = 0.0015026 k( 197) = ( 0.1818182 -0.0573025 0.2513248), wk = 0.0015026 k( 198) = ( 0.1818182 -0.0573025 0.3953366), wk = 0.0015026 k( 199) = ( 0.1818182 -0.0573025 0.5393484), wk = 0.0015026 k( 200) = ( 0.1818182 -0.0573025 -0.9007693), wk = 0.0015026 k( 201) = ( 0.1818182 -0.0573025 -0.7567575), wk = 0.0015026 k( 202) = ( 0.1818182 -0.0573025 -0.6127458), wk = 0.0015026 k( 203) = ( 0.1818182 -0.0573025 -0.4687340), wk = 0.0015026 k( 204) = ( 0.1818182 -0.0573025 -0.3247222), wk = 0.0015026 k( 205) = ( 0.1818182 0.0735062 -0.2409473), wk = 0.0015026 k( 206) = ( 0.1818182 0.0735062 -0.0969355), wk = 0.0015026 k( 207) = ( 0.1818182 0.0735062 0.0470762), wk = 0.0015026 k( 208) = ( 0.1818182 0.0735062 0.1910880), wk = 0.0015026 k( 209) = ( 0.1818182 0.0735062 0.3350998), wk = 0.0015026 k( 210) = ( 0.1818182 0.0735062 0.4791115), wk = 0.0015026 k( 211) = ( 0.1818182 0.0735062 -0.9610061), wk = 0.0015026 k( 212) = ( 0.1818182 0.0735062 -0.8169944), wk = 0.0015026 k( 213) = ( 0.1818182 0.0735062 -0.6729826), wk = 0.0015026 k( 214) = ( 0.1818182 0.0735062 -0.5289708), wk = 0.0015026 k( 215) = ( 0.1818182 0.0735062 -0.3849591), wk = 0.0015026 k( 216) = ( 0.1818182 0.2043149 -0.3011841), wk = 0.0015026 k( 217) = ( 0.1818182 0.2043149 -0.1571724), wk = 0.0015026 k( 218) = ( 0.1818182 0.2043149 -0.0131606), wk = 0.0015026 k( 219) = ( 0.1818182 0.2043149 0.1308512), wk = 0.0015026 k( 220) = ( 0.1818182 0.2043149 0.2748629), wk = 0.0015026 k( 221) = ( 0.1818182 0.2043149 0.4188747), wk = 0.0015026 k( 222) = ( 0.1818182 0.2043149 -1.0212430), wk = 0.0015026 k( 223) = ( 0.1818182 0.2043149 -0.8772312), wk = 0.0015026 k( 224) = ( 0.1818182 0.2043149 -0.7332194), wk = 0.0015026 k( 225) = ( 0.1818182 0.2043149 -0.5892077), wk = 0.0015026 k( 226) = ( 0.1818182 0.2043149 -0.4451959), wk = 0.0015026 k( 227) = ( 0.1818182 0.3351236 -0.3614209), wk = 0.0015026 k( 228) = ( 0.1818182 0.3351236 -0.2174092), wk = 0.0015026 k( 229) = ( 0.1818182 0.3351236 -0.0733974), wk = 0.0015026 k( 230) = ( 0.1818182 0.3351236 0.0706144), wk = 0.0015026 k( 231) = ( 0.1818182 0.3351236 0.2146261), wk = 0.0015026 k( 232) = ( 0.1818182 0.3351236 0.3586379), wk = 0.0015026 k( 233) = ( 0.1818182 0.3351236 -1.0814798), wk = 0.0015026 k( 234) = ( 0.1818182 0.3351236 -0.9374680), wk = 0.0015026 k( 235) = ( 0.1818182 0.3351236 -0.7934562), wk = 0.0015026 k( 236) = ( 0.1818182 0.3351236 -0.6494445), wk = 0.0015026 k( 237) = ( 0.1818182 0.3351236 -0.5054327), wk = 0.0015026 k( 238) = ( 0.1818182 0.4659323 -0.4216578), wk = 0.0015026 k( 239) = ( 0.1818182 0.4659323 -0.2776460), wk = 0.0015026 k( 240) = ( 0.1818182 0.4659323 -0.1336342), wk = 0.0015026 k( 241) = ( 0.1818182 0.4659323 0.0103775), wk = 0.0015026 k( 242) = ( 0.1818182 0.4659323 0.1543893), wk = 0.0015026 k( 243) = ( 0.1818182 0.4659323 0.2984011), wk = 0.0015026 k( 244) = ( 0.1818182 0.4659323 -1.1417166), wk = 0.0015026 k( 245) = ( 0.1818182 0.4659323 -0.9977048), wk = 0.0015026 k( 246) = ( 0.1818182 0.4659323 -0.8536931), wk = 0.0015026 k( 247) = ( 0.1818182 0.4659323 -0.7096813), wk = 0.0015026 k( 248) = ( 0.1818182 0.4659323 -0.5656695), wk = 0.0015026 k( 249) = ( 0.1818182 -0.8421546 0.1807105), wk = 0.0015026 k( 250) = ( 0.1818182 -0.8421546 0.3247222), wk = 0.0015026 k( 251) = ( 0.1818182 -0.8421546 0.4687340), wk = 0.0015026 k( 252) = ( 0.1818182 -0.8421546 0.6127458), wk = 0.0015026 k( 253) = ( 0.1818182 -0.8421546 0.7567575), wk = 0.0015026 k( 254) = ( 0.1818182 -0.8421546 0.9007693), wk = 0.0015026 k( 255) = ( 0.1818182 -0.8421546 -0.5393484), wk = 0.0015026 k( 256) = ( 0.1818182 -0.8421546 -0.3953366), wk = 0.0015026 k( 257) = ( 0.1818182 -0.8421546 -0.2513248), wk = 0.0015026 k( 258) = ( 0.1818182 -0.8421546 -0.1073131), wk = 0.0015026 k( 259) = ( 0.1818182 -0.8421546 0.0366987), wk = 0.0015026 k( 260) = ( 0.1818182 -0.7113459 0.1204736), wk = 0.0015026 k( 261) = ( 0.1818182 -0.7113459 0.2644854), wk = 0.0015026 k( 262) = ( 0.1818182 -0.7113459 0.4084972), wk = 0.0015026 k( 263) = ( 0.1818182 -0.7113459 0.5525089), wk = 0.0015026 k( 264) = ( 0.1818182 -0.7113459 0.6965207), wk = 0.0015026 k( 265) = ( 0.1818182 -0.7113459 0.8405325), wk = 0.0015026 k( 266) = ( 0.1818182 -0.7113459 -0.5995852), wk = 0.0015026 k( 267) = ( 0.1818182 -0.7113459 -0.4555734), wk = 0.0015026 k( 268) = ( 0.1818182 -0.7113459 -0.3115617), wk = 0.0015026 k( 269) = ( 0.1818182 -0.7113459 -0.1675499), wk = 0.0015026 k( 270) = ( 0.1818182 -0.7113459 -0.0235381), wk = 0.0015026 k( 271) = ( 0.1818182 -0.5805372 0.0602368), wk = 0.0015026 k( 272) = ( 0.1818182 -0.5805372 0.2042486), wk = 0.0015026 k( 273) = ( 0.1818182 -0.5805372 0.3482604), wk = 0.0015026 k( 274) = ( 0.1818182 -0.5805372 0.4922721), wk = 0.0015026 k( 275) = ( 0.1818182 -0.5805372 0.6362839), wk = 0.0015026 k( 276) = ( 0.1818182 -0.5805372 0.7802957), wk = 0.0015026 k( 277) = ( 0.1818182 -0.5805372 -0.6598220), wk = 0.0015026 k( 278) = ( 0.1818182 -0.5805372 -0.5158102), wk = 0.0015026 k( 279) = ( 0.1818182 -0.5805372 -0.3717985), wk = 0.0015026 k( 280) = ( 0.1818182 -0.5805372 -0.2277867), wk = 0.0015026 k( 281) = ( 0.1818182 -0.5805372 -0.0837749), wk = 0.0015026 k( 282) = ( 0.1818182 -0.4497285 -0.0000000), wk = 0.0015026 k( 283) = ( 0.1818182 -0.4497285 0.1440118), wk = 0.0015026 k( 284) = ( 0.1818182 -0.4497285 0.2880235), wk = 0.0015026 k( 285) = ( 0.1818182 -0.4497285 0.4320353), wk = 0.0015026 k( 286) = ( 0.1818182 -0.4497285 0.5760471), wk = 0.0015026 k( 287) = ( 0.1818182 -0.4497285 0.7200588), wk = 0.0015026 k( 288) = ( 0.1818182 -0.4497285 -0.7200588), wk = 0.0015026 k( 289) = ( 0.1818182 -0.4497285 -0.5760471), wk = 0.0015026 k( 290) = ( 0.1818182 -0.4497285 -0.4320353), wk = 0.0015026 k( 291) = ( 0.1818182 -0.4497285 -0.2880235), wk = 0.0015026 k( 292) = ( 0.1818182 -0.4497285 -0.1440118), wk = 0.0015026 k( 293) = ( 0.1818182 -0.3189198 -0.0602368), wk = 0.0015026 k( 294) = ( 0.1818182 -0.3189198 0.0837749), wk = 0.0015026 k( 295) = ( 0.1818182 -0.3189198 0.2277867), wk = 0.0015026 k( 296) = ( 0.1818182 -0.3189198 0.3717985), wk = 0.0015026 k( 297) = ( 0.1818182 -0.3189198 0.5158102), wk = 0.0015026 k( 298) = ( 0.1818182 -0.3189198 0.6598220), wk = 0.0015026 k( 299) = ( 0.1818182 -0.3189198 -0.7802957), wk = 0.0015026 k( 300) = ( 0.1818182 -0.3189198 -0.6362839), wk = 0.0015026 k( 301) = ( 0.1818182 -0.3189198 -0.4922721), wk = 0.0015026 k( 302) = ( 0.1818182 -0.3189198 -0.3482604), wk = 0.0015026 k( 303) = ( 0.1818182 -0.3189198 -0.2042486), wk = 0.0015026 k( 304) = ( 0.2727273 -0.2821667 -0.1807105), wk = 0.0015026 k( 305) = ( 0.2727273 -0.2821667 -0.0366987), wk = 0.0015026 k( 306) = ( 0.2727273 -0.2821667 0.1073131), wk = 0.0015026 k( 307) = ( 0.2727273 -0.2821667 0.2513248), wk = 0.0015026 k( 308) = ( 0.2727273 -0.2821667 0.3953366), wk = 0.0015026 k( 309) = ( 0.2727273 -0.2821667 0.5393484), wk = 0.0015026 k( 310) = ( 0.2727273 -0.2821667 -0.9007693), wk = 0.0015026 k( 311) = ( 0.2727273 -0.2821667 -0.7567575), wk = 0.0015026 k( 312) = ( 0.2727273 -0.2821667 -0.6127458), wk = 0.0015026 k( 313) = ( 0.2727273 -0.2821667 -0.4687340), wk = 0.0015026 k( 314) = ( 0.2727273 -0.2821667 -0.3247222), wk = 0.0015026 k( 315) = ( 0.2727273 -0.1513580 -0.2409473), wk = 0.0015026 k( 316) = ( 0.2727273 -0.1513580 -0.0969355), wk = 0.0015026 k( 317) = ( 0.2727273 -0.1513580 0.0470762), wk = 0.0015026 k( 318) = ( 0.2727273 -0.1513580 0.1910880), wk = 0.0015026 k( 319) = ( 0.2727273 -0.1513580 0.3350998), wk = 0.0015026 k( 320) = ( 0.2727273 -0.1513580 0.4791115), wk = 0.0015026 k( 321) = ( 0.2727273 -0.1513580 -0.9610061), wk = 0.0015026 k( 322) = ( 0.2727273 -0.1513580 -0.8169944), wk = 0.0015026 k( 323) = ( 0.2727273 -0.1513580 -0.6729826), wk = 0.0015026 k( 324) = ( 0.2727273 -0.1513580 -0.5289708), wk = 0.0015026 k( 325) = ( 0.2727273 -0.1513580 -0.3849591), wk = 0.0015026 k( 326) = ( 0.2727273 -0.0205493 -0.3011841), wk = 0.0015026 k( 327) = ( 0.2727273 -0.0205493 -0.1571724), wk = 0.0015026 k( 328) = ( 0.2727273 -0.0205493 -0.0131606), wk = 0.0015026 k( 329) = ( 0.2727273 -0.0205493 0.1308512), wk = 0.0015026 k( 330) = ( 0.2727273 -0.0205493 0.2748629), wk = 0.0015026 k( 331) = ( 0.2727273 -0.0205493 0.4188747), wk = 0.0015026 k( 332) = ( 0.2727273 -0.0205493 -1.0212430), wk = 0.0015026 k( 333) = ( 0.2727273 -0.0205493 -0.8772312), wk = 0.0015026 k( 334) = ( 0.2727273 -0.0205493 -0.7332194), wk = 0.0015026 k( 335) = ( 0.2727273 -0.0205493 -0.5892077), wk = 0.0015026 k( 336) = ( 0.2727273 -0.0205493 -0.4451959), wk = 0.0015026 k( 337) = ( 0.2727273 0.1102594 -0.3614209), wk = 0.0015026 k( 338) = ( 0.2727273 0.1102594 -0.2174092), wk = 0.0015026 k( 339) = ( 0.2727273 0.1102594 -0.0733974), wk = 0.0015026 k( 340) = ( 0.2727273 0.1102594 0.0706144), wk = 0.0015026 k( 341) = ( 0.2727273 0.1102594 0.2146261), wk = 0.0015026 k( 342) = ( 0.2727273 0.1102594 0.3586379), wk = 0.0015026 k( 343) = ( 0.2727273 0.1102594 -1.0814798), wk = 0.0015026 k( 344) = ( 0.2727273 0.1102594 -0.9374680), wk = 0.0015026 k( 345) = ( 0.2727273 0.1102594 -0.7934562), wk = 0.0015026 k( 346) = ( 0.2727273 0.1102594 -0.6494445), wk = 0.0015026 k( 347) = ( 0.2727273 0.1102594 -0.5054327), wk = 0.0015026 k( 348) = ( 0.2727273 0.2410680 -0.4216578), wk = 0.0015026 k( 349) = ( 0.2727273 0.2410680 -0.2776460), wk = 0.0015026 k( 350) = ( 0.2727273 0.2410680 -0.1336342), wk = 0.0015026 k( 351) = ( 0.2727273 0.2410680 0.0103775), wk = 0.0015026 k( 352) = ( 0.2727273 0.2410680 0.1543893), wk = 0.0015026 k( 353) = ( 0.2727273 0.2410680 0.2984011), wk = 0.0015026 k( 354) = ( 0.2727273 0.2410680 -1.1417166), wk = 0.0015026 k( 355) = ( 0.2727273 0.2410680 -0.9977048), wk = 0.0015026 k( 356) = ( 0.2727273 0.2410680 -0.8536931), wk = 0.0015026 k( 357) = ( 0.2727273 0.2410680 -0.7096813), wk = 0.0015026 k( 358) = ( 0.2727273 0.2410680 -0.5656695), wk = 0.0015026 k( 359) = ( 0.2727273 0.3718767 -0.4818946), wk = 0.0015026 k( 360) = ( 0.2727273 0.3718767 -0.3378828), wk = 0.0015026 k( 361) = ( 0.2727273 0.3718767 -0.1938711), wk = 0.0015026 k( 362) = ( 0.2727273 0.3718767 -0.0498593), wk = 0.0015026 k( 363) = ( 0.2727273 0.3718767 0.0941525), wk = 0.0015026 k( 364) = ( 0.2727273 0.3718767 0.2381642), wk = 0.0015026 k( 365) = ( 0.2727273 0.3718767 -1.2019534), wk = 0.0015026 k( 366) = ( 0.2727273 0.3718767 -1.0579417), wk = 0.0015026 k( 367) = ( 0.2727273 0.3718767 -0.9139299), wk = 0.0015026 k( 368) = ( 0.2727273 0.3718767 -0.7699181), wk = 0.0015026 k( 369) = ( 0.2727273 0.3718767 -0.6259064), wk = 0.0015026 k( 370) = ( 0.2727273 -0.9362102 0.1204736), wk = 0.0015026 k( 371) = ( 0.2727273 -0.9362102 0.2644854), wk = 0.0015026 k( 372) = ( 0.2727273 -0.9362102 0.4084972), wk = 0.0015026 k( 373) = ( 0.2727273 -0.9362102 0.5525089), wk = 0.0015026 k( 374) = ( 0.2727273 -0.9362102 0.6965207), wk = 0.0015026 k( 375) = ( 0.2727273 -0.9362102 0.8405325), wk = 0.0015026 k( 376) = ( 0.2727273 -0.9362102 -0.5995852), wk = 0.0015026 k( 377) = ( 0.2727273 -0.9362102 -0.4555734), wk = 0.0015026 k( 378) = ( 0.2727273 -0.9362102 -0.3115617), wk = 0.0015026 k( 379) = ( 0.2727273 -0.9362102 -0.1675499), wk = 0.0015026 k( 380) = ( 0.2727273 -0.9362102 -0.0235381), wk = 0.0015026 k( 381) = ( 0.2727273 -0.8054015 0.0602368), wk = 0.0015026 k( 382) = ( 0.2727273 -0.8054015 0.2042486), wk = 0.0015026 k( 383) = ( 0.2727273 -0.8054015 0.3482604), wk = 0.0015026 k( 384) = ( 0.2727273 -0.8054015 0.4922721), wk = 0.0015026 k( 385) = ( 0.2727273 -0.8054015 0.6362839), wk = 0.0015026 k( 386) = ( 0.2727273 -0.8054015 0.7802957), wk = 0.0015026 k( 387) = ( 0.2727273 -0.8054015 -0.6598220), wk = 0.0015026 k( 388) = ( 0.2727273 -0.8054015 -0.5158102), wk = 0.0015026 k( 389) = ( 0.2727273 -0.8054015 -0.3717985), wk = 0.0015026 k( 390) = ( 0.2727273 -0.8054015 -0.2277867), wk = 0.0015026 k( 391) = ( 0.2727273 -0.8054015 -0.0837749), wk = 0.0015026 k( 392) = ( 0.2727273 -0.6745928 0.0000000), wk = 0.0015026 k( 393) = ( 0.2727273 -0.6745928 0.1440118), wk = 0.0015026 k( 394) = ( 0.2727273 -0.6745928 0.2880235), wk = 0.0015026 k( 395) = ( 0.2727273 -0.6745928 0.4320353), wk = 0.0015026 k( 396) = ( 0.2727273 -0.6745928 0.5760471), wk = 0.0015026 k( 397) = ( 0.2727273 -0.6745928 0.7200588), wk = 0.0015026 k( 398) = ( 0.2727273 -0.6745928 -0.7200588), wk = 0.0015026 k( 399) = ( 0.2727273 -0.6745928 -0.5760471), wk = 0.0015026 k( 400) = ( 0.2727273 -0.6745928 -0.4320353), wk = 0.0015026 k( 401) = ( 0.2727273 -0.6745928 -0.2880235), wk = 0.0015026 k( 402) = ( 0.2727273 -0.6745928 -0.1440118), wk = 0.0015026 k( 403) = ( 0.2727273 -0.5437841 -0.0602368), wk = 0.0015026 k( 404) = ( 0.2727273 -0.5437841 0.0837749), wk = 0.0015026 k( 405) = ( 0.2727273 -0.5437841 0.2277867), wk = 0.0015026 k( 406) = ( 0.2727273 -0.5437841 0.3717985), wk = 0.0015026 k( 407) = ( 0.2727273 -0.5437841 0.5158102), wk = 0.0015026 k( 408) = ( 0.2727273 -0.5437841 0.6598220), wk = 0.0015026 k( 409) = ( 0.2727273 -0.5437841 -0.7802957), wk = 0.0015026 k( 410) = ( 0.2727273 -0.5437841 -0.6362839), wk = 0.0015026 k( 411) = ( 0.2727273 -0.5437841 -0.4922721), wk = 0.0015026 k( 412) = ( 0.2727273 -0.5437841 -0.3482604), wk = 0.0015026 k( 413) = ( 0.2727273 -0.5437841 -0.2042486), wk = 0.0015026 k( 414) = ( 0.2727273 -0.4129754 -0.1204736), wk = 0.0015026 k( 415) = ( 0.2727273 -0.4129754 0.0235381), wk = 0.0015026 k( 416) = ( 0.2727273 -0.4129754 0.1675499), wk = 0.0015026 k( 417) = ( 0.2727273 -0.4129754 0.3115617), wk = 0.0015026 k( 418) = ( 0.2727273 -0.4129754 0.4555734), wk = 0.0015026 k( 419) = ( 0.2727273 -0.4129754 0.5995852), wk = 0.0015026 k( 420) = ( 0.2727273 -0.4129754 -0.8405325), wk = 0.0015026 k( 421) = ( 0.2727273 -0.4129754 -0.6965207), wk = 0.0015026 k( 422) = ( 0.2727273 -0.4129754 -0.5525089), wk = 0.0015026 k( 423) = ( 0.2727273 -0.4129754 -0.4084972), wk = 0.0015026 k( 424) = ( 0.2727273 -0.4129754 -0.2644854), wk = 0.0015026 k( 425) = ( 0.3636364 -0.3762223 -0.2409473), wk = 0.0015026 k( 426) = ( 0.3636364 -0.3762223 -0.0969355), wk = 0.0015026 k( 427) = ( 0.3636364 -0.3762223 0.0470762), wk = 0.0015026 k( 428) = ( 0.3636364 -0.3762223 0.1910880), wk = 0.0015026 k( 429) = ( 0.3636364 -0.3762223 0.3350998), wk = 0.0015026 k( 430) = ( 0.3636364 -0.3762223 0.4791115), wk = 0.0015026 k( 431) = ( 0.3636364 -0.3762223 -0.9610061), wk = 0.0015026 k( 432) = ( 0.3636364 -0.3762223 -0.8169944), wk = 0.0015026 k( 433) = ( 0.3636364 -0.3762223 -0.6729826), wk = 0.0015026 k( 434) = ( 0.3636364 -0.3762223 -0.5289708), wk = 0.0015026 k( 435) = ( 0.3636364 -0.3762223 -0.3849591), wk = 0.0015026 k( 436) = ( 0.3636364 -0.2454136 -0.3011841), wk = 0.0015026 k( 437) = ( 0.3636364 -0.2454136 -0.1571724), wk = 0.0015026 k( 438) = ( 0.3636364 -0.2454136 -0.0131606), wk = 0.0015026 k( 439) = ( 0.3636364 -0.2454136 0.1308512), wk = 0.0015026 k( 440) = ( 0.3636364 -0.2454136 0.2748629), wk = 0.0015026 k( 441) = ( 0.3636364 -0.2454136 0.4188747), wk = 0.0015026 k( 442) = ( 0.3636364 -0.2454136 -1.0212430), wk = 0.0015026 k( 443) = ( 0.3636364 -0.2454136 -0.8772312), wk = 0.0015026 k( 444) = ( 0.3636364 -0.2454136 -0.7332194), wk = 0.0015026 k( 445) = ( 0.3636364 -0.2454136 -0.5892077), wk = 0.0015026 k( 446) = ( 0.3636364 -0.2454136 -0.4451959), wk = 0.0015026 k( 447) = ( 0.3636364 -0.1146049 -0.3614209), wk = 0.0015026 k( 448) = ( 0.3636364 -0.1146049 -0.2174092), wk = 0.0015026 k( 449) = ( 0.3636364 -0.1146049 -0.0733974), wk = 0.0015026 k( 450) = ( 0.3636364 -0.1146049 0.0706144), wk = 0.0015026 k( 451) = ( 0.3636364 -0.1146049 0.2146261), wk = 0.0015026 k( 452) = ( 0.3636364 -0.1146049 0.3586379), wk = 0.0015026 k( 453) = ( 0.3636364 -0.1146049 -1.0814798), wk = 0.0015026 k( 454) = ( 0.3636364 -0.1146049 -0.9374680), wk = 0.0015026 k( 455) = ( 0.3636364 -0.1146049 -0.7934562), wk = 0.0015026 k( 456) = ( 0.3636364 -0.1146049 -0.6494445), wk = 0.0015026 k( 457) = ( 0.3636364 -0.1146049 -0.5054327), wk = 0.0015026 k( 458) = ( 0.3636364 0.0162038 -0.4216578), wk = 0.0015026 k( 459) = ( 0.3636364 0.0162038 -0.2776460), wk = 0.0015026 k( 460) = ( 0.3636364 0.0162038 -0.1336342), wk = 0.0015026 k( 461) = ( 0.3636364 0.0162038 0.0103775), wk = 0.0015026 k( 462) = ( 0.3636364 0.0162038 0.1543893), wk = 0.0015026 k( 463) = ( 0.3636364 0.0162038 0.2984011), wk = 0.0015026 k( 464) = ( 0.3636364 0.0162038 -1.1417166), wk = 0.0015026 k( 465) = ( 0.3636364 0.0162038 -0.9977048), wk = 0.0015026 k( 466) = ( 0.3636364 0.0162038 -0.8536931), wk = 0.0015026 k( 467) = ( 0.3636364 0.0162038 -0.7096813), wk = 0.0015026 k( 468) = ( 0.3636364 0.0162038 -0.5656695), wk = 0.0015026 k( 469) = ( 0.3636364 0.1470125 -0.4818946), wk = 0.0015026 k( 470) = ( 0.3636364 0.1470125 -0.3378828), wk = 0.0015026 k( 471) = ( 0.3636364 0.1470125 -0.1938711), wk = 0.0015026 k( 472) = ( 0.3636364 0.1470125 -0.0498593), wk = 0.0015026 k( 473) = ( 0.3636364 0.1470125 0.0941525), wk = 0.0015026 k( 474) = ( 0.3636364 0.1470125 0.2381642), wk = 0.0015026 k( 475) = ( 0.3636364 0.1470125 -1.2019534), wk = 0.0015026 k( 476) = ( 0.3636364 0.1470125 -1.0579417), wk = 0.0015026 k( 477) = ( 0.3636364 0.1470125 -0.9139299), wk = 0.0015026 k( 478) = ( 0.3636364 0.1470125 -0.7699181), wk = 0.0015026 k( 479) = ( 0.3636364 0.1470125 -0.6259064), wk = 0.0015026 k( 480) = ( 0.3636364 0.2778212 -0.5421314), wk = 0.0015026 k( 481) = ( 0.3636364 0.2778212 -0.3981197), wk = 0.0015026 k( 482) = ( 0.3636364 0.2778212 -0.2541079), wk = 0.0015026 k( 483) = ( 0.3636364 0.2778212 -0.1100961), wk = 0.0015026 k( 484) = ( 0.3636364 0.2778212 0.0339156), wk = 0.0015026 k( 485) = ( 0.3636364 0.2778212 0.1779274), wk = 0.0015026 k( 486) = ( 0.3636364 0.2778212 -1.2621903), wk = 0.0015026 k( 487) = ( 0.3636364 0.2778212 -1.1181785), wk = 0.0015026 k( 488) = ( 0.3636364 0.2778212 -0.9741667), wk = 0.0015026 k( 489) = ( 0.3636364 0.2778212 -0.8301550), wk = 0.0015026 k( 490) = ( 0.3636364 0.2778212 -0.6861432), wk = 0.0015026 k( 491) = ( 0.3636364 -1.0302658 0.0602368), wk = 0.0015026 k( 492) = ( 0.3636364 -1.0302658 0.2042486), wk = 0.0015026 k( 493) = ( 0.3636364 -1.0302658 0.3482604), wk = 0.0015026 k( 494) = ( 0.3636364 -1.0302658 0.4922721), wk = 0.0015026 k( 495) = ( 0.3636364 -1.0302658 0.6362839), wk = 0.0015026 k( 496) = ( 0.3636364 -1.0302658 0.7802957), wk = 0.0015026 k( 497) = ( 0.3636364 -1.0302658 -0.6598220), wk = 0.0015026 k( 498) = ( 0.3636364 -1.0302658 -0.5158102), wk = 0.0015026 k( 499) = ( 0.3636364 -1.0302658 -0.3717985), wk = 0.0015026 k( 500) = ( 0.3636364 -1.0302658 -0.2277867), wk = 0.0015026 k( 501) = ( 0.3636364 -1.0302658 -0.0837749), wk = 0.0015026 k( 502) = ( 0.3636364 -0.8994571 0.0000000), wk = 0.0015026 k( 503) = ( 0.3636364 -0.8994571 0.1440118), wk = 0.0015026 k( 504) = ( 0.3636364 -0.8994571 0.2880235), wk = 0.0015026 k( 505) = ( 0.3636364 -0.8994571 0.4320353), wk = 0.0015026 k( 506) = ( 0.3636364 -0.8994571 0.5760471), wk = 0.0015026 k( 507) = ( 0.3636364 -0.8994571 0.7200588), wk = 0.0015026 k( 508) = ( 0.3636364 -0.8994571 -0.7200588), wk = 0.0015026 k( 509) = ( 0.3636364 -0.8994571 -0.5760471), wk = 0.0015026 k( 510) = ( 0.3636364 -0.8994571 -0.4320353), wk = 0.0015026 k( 511) = ( 0.3636364 -0.8994571 -0.2880235), wk = 0.0015026 k( 512) = ( 0.3636364 -0.8994571 -0.1440118), wk = 0.0015026 k( 513) = ( 0.3636364 -0.7686484 -0.0602368), wk = 0.0015026 k( 514) = ( 0.3636364 -0.7686484 0.0837749), wk = 0.0015026 k( 515) = ( 0.3636364 -0.7686484 0.2277867), wk = 0.0015026 k( 516) = ( 0.3636364 -0.7686484 0.3717985), wk = 0.0015026 k( 517) = ( 0.3636364 -0.7686484 0.5158102), wk = 0.0015026 k( 518) = ( 0.3636364 -0.7686484 0.6598220), wk = 0.0015026 k( 519) = ( 0.3636364 -0.7686484 -0.7802957), wk = 0.0015026 k( 520) = ( 0.3636364 -0.7686484 -0.6362839), wk = 0.0015026 k( 521) = ( 0.3636364 -0.7686484 -0.4922721), wk = 0.0015026 k( 522) = ( 0.3636364 -0.7686484 -0.3482604), wk = 0.0015026 k( 523) = ( 0.3636364 -0.7686484 -0.2042486), wk = 0.0015026 k( 524) = ( 0.3636364 -0.6378397 -0.1204736), wk = 0.0015026 k( 525) = ( 0.3636364 -0.6378397 0.0235381), wk = 0.0015026 k( 526) = ( 0.3636364 -0.6378397 0.1675499), wk = 0.0015026 k( 527) = ( 0.3636364 -0.6378397 0.3115617), wk = 0.0015026 k( 528) = ( 0.3636364 -0.6378397 0.4555734), wk = 0.0015026 k( 529) = ( 0.3636364 -0.6378397 0.5995852), wk = 0.0015026 k( 530) = ( 0.3636364 -0.6378397 -0.8405325), wk = 0.0015026 k( 531) = ( 0.3636364 -0.6378397 -0.6965207), wk = 0.0015026 k( 532) = ( 0.3636364 -0.6378397 -0.5525089), wk = 0.0015026 k( 533) = ( 0.3636364 -0.6378397 -0.4084972), wk = 0.0015026 k( 534) = ( 0.3636364 -0.6378397 -0.2644854), wk = 0.0015026 k( 535) = ( 0.3636364 -0.5070310 -0.1807105), wk = 0.0015026 k( 536) = ( 0.3636364 -0.5070310 -0.0366987), wk = 0.0015026 k( 537) = ( 0.3636364 -0.5070310 0.1073131), wk = 0.0015026 k( 538) = ( 0.3636364 -0.5070310 0.2513248), wk = 0.0015026 k( 539) = ( 0.3636364 -0.5070310 0.3953366), wk = 0.0015026 k( 540) = ( 0.3636364 -0.5070310 0.5393484), wk = 0.0015026 k( 541) = ( 0.3636364 -0.5070310 -0.9007693), wk = 0.0015026 k( 542) = ( 0.3636364 -0.5070310 -0.7567575), wk = 0.0015026 k( 543) = ( 0.3636364 -0.5070310 -0.6127458), wk = 0.0015026 k( 544) = ( 0.3636364 -0.5070310 -0.4687340), wk = 0.0015026 k( 545) = ( 0.3636364 -0.5070310 -0.3247222), wk = 0.0015026 k( 546) = ( 0.4545455 -0.4702779 -0.3011841), wk = 0.0015026 k( 547) = ( 0.4545455 -0.4702779 -0.1571724), wk = 0.0015026 k( 548) = ( 0.4545455 -0.4702779 -0.0131606), wk = 0.0015026 k( 549) = ( 0.4545455 -0.4702779 0.1308512), wk = 0.0015026 k( 550) = ( 0.4545455 -0.4702779 0.2748629), wk = 0.0015026 k( 551) = ( 0.4545455 -0.4702779 0.4188747), wk = 0.0015026 k( 552) = ( 0.4545455 -0.4702779 -1.0212430), wk = 0.0015026 k( 553) = ( 0.4545455 -0.4702779 -0.8772312), wk = 0.0015026 k( 554) = ( 0.4545455 -0.4702779 -0.7332194), wk = 0.0015026 k( 555) = ( 0.4545455 -0.4702779 -0.5892077), wk = 0.0015026 k( 556) = ( 0.4545455 -0.4702779 -0.4451959), wk = 0.0015026 k( 557) = ( 0.4545455 -0.3394692 -0.3614209), wk = 0.0015026 k( 558) = ( 0.4545455 -0.3394692 -0.2174092), wk = 0.0015026 k( 559) = ( 0.4545455 -0.3394692 -0.0733974), wk = 0.0015026 k( 560) = ( 0.4545455 -0.3394692 0.0706144), wk = 0.0015026 k( 561) = ( 0.4545455 -0.3394692 0.2146261), wk = 0.0015026 k( 562) = ( 0.4545455 -0.3394692 0.3586379), wk = 0.0015026 k( 563) = ( 0.4545455 -0.3394692 -1.0814798), wk = 0.0015026 k( 564) = ( 0.4545455 -0.3394692 -0.9374680), wk = 0.0015026 k( 565) = ( 0.4545455 -0.3394692 -0.7934562), wk = 0.0015026 k( 566) = ( 0.4545455 -0.3394692 -0.6494445), wk = 0.0015026 k( 567) = ( 0.4545455 -0.3394692 -0.5054327), wk = 0.0015026 k( 568) = ( 0.4545455 -0.2086605 -0.4216578), wk = 0.0015026 k( 569) = ( 0.4545455 -0.2086605 -0.2776460), wk = 0.0015026 k( 570) = ( 0.4545455 -0.2086605 -0.1336342), wk = 0.0015026 k( 571) = ( 0.4545455 -0.2086605 0.0103775), wk = 0.0015026 k( 572) = ( 0.4545455 -0.2086605 0.1543893), wk = 0.0015026 k( 573) = ( 0.4545455 -0.2086605 0.2984011), wk = 0.0015026 k( 574) = ( 0.4545455 -0.2086605 -1.1417166), wk = 0.0015026 k( 575) = ( 0.4545455 -0.2086605 -0.9977048), wk = 0.0015026 k( 576) = ( 0.4545455 -0.2086605 -0.8536931), wk = 0.0015026 k( 577) = ( 0.4545455 -0.2086605 -0.7096813), wk = 0.0015026 k( 578) = ( 0.4545455 -0.2086605 -0.5656695), wk = 0.0015026 k( 579) = ( 0.4545455 -0.0778518 -0.4818946), wk = 0.0015026 k( 580) = ( 0.4545455 -0.0778518 -0.3378828), wk = 0.0015026 k( 581) = ( 0.4545455 -0.0778518 -0.1938711), wk = 0.0015026 k( 582) = ( 0.4545455 -0.0778518 -0.0498593), wk = 0.0015026 k( 583) = ( 0.4545455 -0.0778518 0.0941525), wk = 0.0015026 k( 584) = ( 0.4545455 -0.0778518 0.2381642), wk = 0.0015026 k( 585) = ( 0.4545455 -0.0778518 -1.2019534), wk = 0.0015026 k( 586) = ( 0.4545455 -0.0778518 -1.0579417), wk = 0.0015026 k( 587) = ( 0.4545455 -0.0778518 -0.9139299), wk = 0.0015026 k( 588) = ( 0.4545455 -0.0778518 -0.7699181), wk = 0.0015026 k( 589) = ( 0.4545455 -0.0778518 -0.6259064), wk = 0.0015026 k( 590) = ( 0.4545455 0.0529569 -0.5421314), wk = 0.0015026 k( 591) = ( 0.4545455 0.0529569 -0.3981197), wk = 0.0015026 k( 592) = ( 0.4545455 0.0529569 -0.2541079), wk = 0.0015026 k( 593) = ( 0.4545455 0.0529569 -0.1100961), wk = 0.0015026 k( 594) = ( 0.4545455 0.0529569 0.0339156), wk = 0.0015026 k( 595) = ( 0.4545455 0.0529569 0.1779274), wk = 0.0015026 k( 596) = ( 0.4545455 0.0529569 -1.2621903), wk = 0.0015026 k( 597) = ( 0.4545455 0.0529569 -1.1181785), wk = 0.0015026 k( 598) = ( 0.4545455 0.0529569 -0.9741667), wk = 0.0015026 k( 599) = ( 0.4545455 0.0529569 -0.8301550), wk = 0.0015026 k( 600) = ( 0.4545455 0.0529569 -0.6861432), wk = 0.0015026 k( 601) = ( 0.4545455 0.1837656 -0.6023682), wk = 0.0015026 k( 602) = ( 0.4545455 0.1837656 -0.4583565), wk = 0.0015026 k( 603) = ( 0.4545455 0.1837656 -0.3143447), wk = 0.0015026 k( 604) = ( 0.4545455 0.1837656 -0.1703329), wk = 0.0015026 k( 605) = ( 0.4545455 0.1837656 -0.0263212), wk = 0.0015026 k( 606) = ( 0.4545455 0.1837656 0.1176906), wk = 0.0015026 k( 607) = ( 0.4545455 0.1837656 -1.3224271), wk = 0.0015026 k( 608) = ( 0.4545455 0.1837656 -1.1784153), wk = 0.0015026 k( 609) = ( 0.4545455 0.1837656 -1.0344035), wk = 0.0015026 k( 610) = ( 0.4545455 0.1837656 -0.8903918), wk = 0.0015026 k( 611) = ( 0.4545455 0.1837656 -0.7463800), wk = 0.0015026 k( 612) = ( 0.4545455 -1.1243213 0.0000000), wk = 0.0015026 k( 613) = ( 0.4545455 -1.1243213 0.1440118), wk = 0.0015026 k( 614) = ( 0.4545455 -1.1243213 0.2880235), wk = 0.0015026 k( 615) = ( 0.4545455 -1.1243213 0.4320353), wk = 0.0015026 k( 616) = ( 0.4545455 -1.1243213 0.5760471), wk = 0.0015026 k( 617) = ( 0.4545455 -1.1243213 0.7200588), wk = 0.0015026 k( 618) = ( 0.4545455 -1.1243213 -0.7200588), wk = 0.0015026 k( 619) = ( 0.4545455 -1.1243213 -0.5760471), wk = 0.0015026 k( 620) = ( 0.4545455 -1.1243213 -0.4320353), wk = 0.0015026 k( 621) = ( 0.4545455 -1.1243213 -0.2880235), wk = 0.0015026 k( 622) = ( 0.4545455 -1.1243213 -0.1440118), wk = 0.0015026 k( 623) = ( 0.4545455 -0.9935126 -0.0602368), wk = 0.0015026 k( 624) = ( 0.4545455 -0.9935126 0.0837749), wk = 0.0015026 k( 625) = ( 0.4545455 -0.9935126 0.2277867), wk = 0.0015026 k( 626) = ( 0.4545455 -0.9935126 0.3717985), wk = 0.0015026 k( 627) = ( 0.4545455 -0.9935126 0.5158102), wk = 0.0015026 k( 628) = ( 0.4545455 -0.9935126 0.6598220), wk = 0.0015026 k( 629) = ( 0.4545455 -0.9935126 -0.7802957), wk = 0.0015026 k( 630) = ( 0.4545455 -0.9935126 -0.6362839), wk = 0.0015026 k( 631) = ( 0.4545455 -0.9935126 -0.4922721), wk = 0.0015026 k( 632) = ( 0.4545455 -0.9935126 -0.3482604), wk = 0.0015026 k( 633) = ( 0.4545455 -0.9935126 -0.2042486), wk = 0.0015026 k( 634) = ( 0.4545455 -0.8627039 -0.1204736), wk = 0.0015026 k( 635) = ( 0.4545455 -0.8627039 0.0235381), wk = 0.0015026 k( 636) = ( 0.4545455 -0.8627039 0.1675499), wk = 0.0015026 k( 637) = ( 0.4545455 -0.8627039 0.3115617), wk = 0.0015026 k( 638) = ( 0.4545455 -0.8627039 0.4555734), wk = 0.0015026 k( 639) = ( 0.4545455 -0.8627039 0.5995852), wk = 0.0015026 k( 640) = ( 0.4545455 -0.8627039 -0.8405325), wk = 0.0015026 k( 641) = ( 0.4545455 -0.8627039 -0.6965207), wk = 0.0015026 k( 642) = ( 0.4545455 -0.8627039 -0.5525089), wk = 0.0015026 k( 643) = ( 0.4545455 -0.8627039 -0.4084972), wk = 0.0015026 k( 644) = ( 0.4545455 -0.8627039 -0.2644854), wk = 0.0015026 k( 645) = ( 0.4545455 -0.7318953 -0.1807105), wk = 0.0015026 k( 646) = ( 0.4545455 -0.7318953 -0.0366987), wk = 0.0015026 k( 647) = ( 0.4545455 -0.7318953 0.1073131), wk = 0.0015026 k( 648) = ( 0.4545455 -0.7318953 0.2513248), wk = 0.0015026 k( 649) = ( 0.4545455 -0.7318953 0.3953366), wk = 0.0015026 k( 650) = ( 0.4545455 -0.7318953 0.5393484), wk = 0.0015026 k( 651) = ( 0.4545455 -0.7318953 -0.9007693), wk = 0.0015026 k( 652) = ( 0.4545455 -0.7318953 -0.7567575), wk = 0.0015026 k( 653) = ( 0.4545455 -0.7318953 -0.6127458), wk = 0.0015026 k( 654) = ( 0.4545455 -0.7318953 -0.4687340), wk = 0.0015026 k( 655) = ( 0.4545455 -0.7318953 -0.3247222), wk = 0.0015026 k( 656) = ( 0.4545455 -0.6010866 -0.2409473), wk = 0.0015026 k( 657) = ( 0.4545455 -0.6010866 -0.0969355), wk = 0.0015026 k( 658) = ( 0.4545455 -0.6010866 0.0470762), wk = 0.0015026 k( 659) = ( 0.4545455 -0.6010866 0.1910880), wk = 0.0015026 k( 660) = ( 0.4545455 -0.6010866 0.3350998), wk = 0.0015026 k( 661) = ( 0.4545455 -0.6010866 0.4791115), wk = 0.0015026 k( 662) = ( 0.4545455 -0.6010866 -0.9610061), wk = 0.0015026 k( 663) = ( 0.4545455 -0.6010866 -0.8169944), wk = 0.0015026 k( 664) = ( 0.4545455 -0.6010866 -0.6729826), wk = 0.0015026 k( 665) = ( 0.4545455 -0.6010866 -0.5289708), wk = 0.0015026 k( 666) = ( 0.4545455 -0.6010866 -0.3849591), wk = 0.0015026 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0007513 k( 2) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0015026 k( 3) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0015026 k( 4) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0015026 k( 5) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0015026 k( 6) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0015026 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0015026 k( 8) = ( 0.0000000 0.0909091 0.0909091), wk = 0.0015026 k( 9) = ( 0.0000000 0.0909091 0.1818182), wk = 0.0015026 k( 10) = ( 0.0000000 0.0909091 0.2727273), wk = 0.0015026 k( 11) = ( 0.0000000 0.0909091 0.3636364), wk = 0.0015026 k( 12) = ( 0.0000000 0.0909091 0.4545455), wk = 0.0015026 k( 13) = ( 0.0000000 0.0909091 -0.4545455), wk = 0.0015026 k( 14) = ( 0.0000000 0.0909091 -0.3636364), wk = 0.0015026 k( 15) = ( 0.0000000 0.0909091 -0.2727273), wk = 0.0015026 k( 16) = ( 0.0000000 0.0909091 -0.1818182), wk = 0.0015026 k( 17) = ( 0.0000000 0.0909091 -0.0909091), wk = 0.0015026 k( 18) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0015026 k( 19) = ( 0.0000000 0.1818182 0.0909091), wk = 0.0015026 k( 20) = ( 0.0000000 0.1818182 0.1818182), wk = 0.0015026 k( 21) = ( 0.0000000 0.1818182 0.2727273), wk = 0.0015026 k( 22) = ( 0.0000000 0.1818182 0.3636364), wk = 0.0015026 k( 23) = ( 0.0000000 0.1818182 0.4545455), wk = 0.0015026 k( 24) = ( 0.0000000 0.1818182 -0.4545455), wk = 0.0015026 k( 25) = ( 0.0000000 0.1818182 -0.3636364), wk = 0.0015026 k( 26) = ( 0.0000000 0.1818182 -0.2727273), wk = 0.0015026 k( 27) = ( 0.0000000 0.1818182 -0.1818182), wk = 0.0015026 k( 28) = ( 0.0000000 0.1818182 -0.0909091), wk = 0.0015026 k( 29) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0015026 k( 30) = ( 0.0000000 0.2727273 0.0909091), wk = 0.0015026 k( 31) = ( 0.0000000 0.2727273 0.1818182), wk = 0.0015026 k( 32) = ( 0.0000000 0.2727273 0.2727273), wk = 0.0015026 k( 33) = ( 0.0000000 0.2727273 0.3636364), wk = 0.0015026 k( 34) = ( 0.0000000 0.2727273 0.4545455), wk = 0.0015026 k( 35) = ( 0.0000000 0.2727273 -0.4545455), wk = 0.0015026 k( 36) = ( 0.0000000 0.2727273 -0.3636364), wk = 0.0015026 k( 37) = ( 0.0000000 0.2727273 -0.2727273), wk = 0.0015026 k( 38) = ( 0.0000000 0.2727273 -0.1818182), wk = 0.0015026 k( 39) = ( 0.0000000 0.2727273 -0.0909091), wk = 0.0015026 k( 40) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0015026 k( 41) = ( 0.0000000 0.3636364 0.0909091), wk = 0.0015026 k( 42) = ( 0.0000000 0.3636364 0.1818182), wk = 0.0015026 k( 43) = ( 0.0000000 0.3636364 0.2727273), wk = 0.0015026 k( 44) = ( 0.0000000 0.3636364 0.3636364), wk = 0.0015026 k( 45) = ( 0.0000000 0.3636364 0.4545455), wk = 0.0015026 k( 46) = ( 0.0000000 0.3636364 -0.4545455), wk = 0.0015026 k( 47) = ( 0.0000000 0.3636364 -0.3636364), wk = 0.0015026 k( 48) = ( 0.0000000 0.3636364 -0.2727273), wk = 0.0015026 k( 49) = ( 0.0000000 0.3636364 -0.1818182), wk = 0.0015026 k( 50) = ( 0.0000000 0.3636364 -0.0909091), wk = 0.0015026 k( 51) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0015026 k( 52) = ( 0.0000000 0.4545455 0.0909091), wk = 0.0015026 k( 53) = ( 0.0000000 0.4545455 0.1818182), wk = 0.0015026 k( 54) = ( 0.0000000 0.4545455 0.2727273), wk = 0.0015026 k( 55) = ( 0.0000000 0.4545455 0.3636364), wk = 0.0015026 k( 56) = ( 0.0000000 0.4545455 0.4545455), wk = 0.0015026 k( 57) = ( 0.0000000 0.4545455 -0.4545455), wk = 0.0015026 k( 58) = ( 0.0000000 0.4545455 -0.3636364), wk = 0.0015026 k( 59) = ( 0.0000000 0.4545455 -0.2727273), wk = 0.0015026 k( 60) = ( 0.0000000 0.4545455 -0.1818182), wk = 0.0015026 k( 61) = ( 0.0000000 0.4545455 -0.0909091), wk = 0.0015026 k( 62) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0015026 k( 63) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0015026 k( 64) = ( 0.0909091 -0.0000000 0.1818182), wk = 0.0015026 k( 65) = ( 0.0909091 -0.0000000 0.2727273), wk = 0.0015026 k( 66) = ( 0.0909091 -0.0000000 0.3636364), wk = 0.0015026 k( 67) = ( 0.0909091 -0.0000000 0.4545455), wk = 0.0015026 k( 68) = ( 0.0909091 -0.0000000 -0.4545455), wk = 0.0015026 k( 69) = ( 0.0909091 -0.0000000 -0.3636364), wk = 0.0015026 k( 70) = ( 0.0909091 -0.0000000 -0.2727273), wk = 0.0015026 k( 71) = ( 0.0909091 -0.0000000 -0.1818182), wk = 0.0015026 k( 72) = ( 0.0909091 -0.0000000 -0.0909091), wk = 0.0015026 k( 73) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0015026 k( 74) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0015026 k( 75) = ( 0.0909091 0.0909091 0.1818182), wk = 0.0015026 k( 76) = ( 0.0909091 0.0909091 0.2727273), wk = 0.0015026 k( 77) = ( 0.0909091 0.0909091 0.3636364), wk = 0.0015026 k( 78) = ( 0.0909091 0.0909091 0.4545455), wk = 0.0015026 k( 79) = ( 0.0909091 0.0909091 -0.4545455), wk = 0.0015026 k( 80) = ( 0.0909091 0.0909091 -0.3636364), wk = 0.0015026 k( 81) = ( 0.0909091 0.0909091 -0.2727273), wk = 0.0015026 k( 82) = ( 0.0909091 0.0909091 -0.1818182), wk = 0.0015026 k( 83) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0015026 k( 84) = ( 0.0909091 0.1818182 -0.0000000), wk = 0.0015026 k( 85) = ( 0.0909091 0.1818182 0.0909091), wk = 0.0015026 k( 86) = ( 0.0909091 0.1818182 0.1818182), wk = 0.0015026 k( 87) = ( 0.0909091 0.1818182 0.2727273), wk = 0.0015026 k( 88) = ( 0.0909091 0.1818182 0.3636364), wk = 0.0015026 k( 89) = ( 0.0909091 0.1818182 0.4545455), wk = 0.0015026 k( 90) = ( 0.0909091 0.1818182 -0.4545455), wk = 0.0015026 k( 91) = ( 0.0909091 0.1818182 -0.3636364), wk = 0.0015026 k( 92) = ( 0.0909091 0.1818182 -0.2727273), wk = 0.0015026 k( 93) = ( 0.0909091 0.1818182 -0.1818182), wk = 0.0015026 k( 94) = ( 0.0909091 0.1818182 -0.0909091), wk = 0.0015026 k( 95) = ( 0.0909091 0.2727273 -0.0000000), wk = 0.0015026 k( 96) = ( 0.0909091 0.2727273 0.0909091), wk = 0.0015026 k( 97) = ( 0.0909091 0.2727273 0.1818182), wk = 0.0015026 k( 98) = ( 0.0909091 0.2727273 0.2727273), wk = 0.0015026 k( 99) = ( 0.0909091 0.2727273 0.3636364), wk = 0.0015026 k( 100) = ( 0.0909091 0.2727273 0.4545455), wk = 0.0015026 k( 101) = ( 0.0909091 0.2727273 -0.4545455), wk = 0.0015026 k( 102) = ( 0.0909091 0.2727273 -0.3636364), wk = 0.0015026 k( 103) = ( 0.0909091 0.2727273 -0.2727273), wk = 0.0015026 k( 104) = ( 0.0909091 0.2727273 -0.1818182), wk = 0.0015026 k( 105) = ( 0.0909091 0.2727273 -0.0909091), wk = 0.0015026 k( 106) = ( 0.0909091 0.3636364 -0.0000000), wk = 0.0015026 k( 107) = ( 0.0909091 0.3636364 0.0909091), wk = 0.0015026 k( 108) = ( 0.0909091 0.3636364 0.1818182), wk = 0.0015026 k( 109) = ( 0.0909091 0.3636364 0.2727273), wk = 0.0015026 k( 110) = ( 0.0909091 0.3636364 0.3636364), wk = 0.0015026 k( 111) = ( 0.0909091 0.3636364 0.4545455), wk = 0.0015026 k( 112) = ( 0.0909091 0.3636364 -0.4545455), wk = 0.0015026 k( 113) = ( 0.0909091 0.3636364 -0.3636364), wk = 0.0015026 k( 114) = ( 0.0909091 0.3636364 -0.2727273), wk = 0.0015026 k( 115) = ( 0.0909091 0.3636364 -0.1818182), wk = 0.0015026 k( 116) = ( 0.0909091 0.3636364 -0.0909091), wk = 0.0015026 k( 117) = ( 0.0909091 0.4545455 0.0000000), wk = 0.0015026 k( 118) = ( 0.0909091 0.4545455 0.0909091), wk = 0.0015026 k( 119) = ( 0.0909091 0.4545455 0.1818182), wk = 0.0015026 k( 120) = ( 0.0909091 0.4545455 0.2727273), wk = 0.0015026 k( 121) = ( 0.0909091 0.4545455 0.3636364), wk = 0.0015026 k( 122) = ( 0.0909091 0.4545455 0.4545455), wk = 0.0015026 k( 123) = ( 0.0909091 0.4545455 -0.4545455), wk = 0.0015026 k( 124) = ( 0.0909091 0.4545455 -0.3636364), wk = 0.0015026 k( 125) = ( 0.0909091 0.4545455 -0.2727273), wk = 0.0015026 k( 126) = ( 0.0909091 0.4545455 -0.1818182), wk = 0.0015026 k( 127) = ( 0.0909091 0.4545455 -0.0909091), wk = 0.0015026 k( 128) = ( 0.0909091 -0.4545455 -0.0000000), wk = 0.0015026 k( 129) = ( 0.0909091 -0.4545455 0.0909091), wk = 0.0015026 k( 130) = ( 0.0909091 -0.4545455 0.1818182), wk = 0.0015026 k( 131) = ( 0.0909091 -0.4545455 0.2727273), wk = 0.0015026 k( 132) = ( 0.0909091 -0.4545455 0.3636364), wk = 0.0015026 k( 133) = ( 0.0909091 -0.4545455 0.4545455), wk = 0.0015026 k( 134) = ( 0.0909091 -0.4545455 -0.4545455), wk = 0.0015026 k( 135) = ( 0.0909091 -0.4545455 -0.3636364), wk = 0.0015026 k( 136) = ( 0.0909091 -0.4545455 -0.2727273), wk = 0.0015026 k( 137) = ( 0.0909091 -0.4545455 -0.1818182), wk = 0.0015026 k( 138) = ( 0.0909091 -0.4545455 -0.0909091), wk = 0.0015026 k( 139) = ( 0.0909091 -0.3636364 0.0000000), wk = 0.0015026 k( 140) = ( 0.0909091 -0.3636364 0.0909091), wk = 0.0015026 k( 141) = ( 0.0909091 -0.3636364 0.1818182), wk = 0.0015026 k( 142) = ( 0.0909091 -0.3636364 0.2727273), wk = 0.0015026 k( 143) = ( 0.0909091 -0.3636364 0.3636364), wk = 0.0015026 k( 144) = ( 0.0909091 -0.3636364 0.4545455), wk = 0.0015026 k( 145) = ( 0.0909091 -0.3636364 -0.4545455), wk = 0.0015026 k( 146) = ( 0.0909091 -0.3636364 -0.3636364), wk = 0.0015026 k( 147) = ( 0.0909091 -0.3636364 -0.2727273), wk = 0.0015026 k( 148) = ( 0.0909091 -0.3636364 -0.1818182), wk = 0.0015026 k( 149) = ( 0.0909091 -0.3636364 -0.0909091), wk = 0.0015026 k( 150) = ( 0.0909091 -0.2727273 -0.0000000), wk = 0.0015026 k( 151) = ( 0.0909091 -0.2727273 0.0909091), wk = 0.0015026 k( 152) = ( 0.0909091 -0.2727273 0.1818182), wk = 0.0015026 k( 153) = ( 0.0909091 -0.2727273 0.2727273), wk = 0.0015026 k( 154) = ( 0.0909091 -0.2727273 0.3636364), wk = 0.0015026 k( 155) = ( 0.0909091 -0.2727273 0.4545455), wk = 0.0015026 k( 156) = ( 0.0909091 -0.2727273 -0.4545455), wk = 0.0015026 k( 157) = ( 0.0909091 -0.2727273 -0.3636364), wk = 0.0015026 k( 158) = ( 0.0909091 -0.2727273 -0.2727273), wk = 0.0015026 k( 159) = ( 0.0909091 -0.2727273 -0.1818182), wk = 0.0015026 k( 160) = ( 0.0909091 -0.2727273 -0.0909091), wk = 0.0015026 k( 161) = ( 0.0909091 -0.1818182 -0.0000000), wk = 0.0015026 k( 162) = ( 0.0909091 -0.1818182 0.0909091), wk = 0.0015026 k( 163) = ( 0.0909091 -0.1818182 0.1818182), wk = 0.0015026 k( 164) = ( 0.0909091 -0.1818182 0.2727273), wk = 0.0015026 k( 165) = ( 0.0909091 -0.1818182 0.3636364), wk = 0.0015026 k( 166) = ( 0.0909091 -0.1818182 0.4545455), wk = 0.0015026 k( 167) = ( 0.0909091 -0.1818182 -0.4545455), wk = 0.0015026 k( 168) = ( 0.0909091 -0.1818182 -0.3636364), wk = 0.0015026 k( 169) = ( 0.0909091 -0.1818182 -0.2727273), wk = 0.0015026 k( 170) = ( 0.0909091 -0.1818182 -0.1818182), wk = 0.0015026 k( 171) = ( 0.0909091 -0.1818182 -0.0909091), wk = 0.0015026 k( 172) = ( 0.0909091 -0.0909091 -0.0000000), wk = 0.0015026 k( 173) = ( 0.0909091 -0.0909091 0.0909091), wk = 0.0015026 k( 174) = ( 0.0909091 -0.0909091 0.1818182), wk = 0.0015026 k( 175) = ( 0.0909091 -0.0909091 0.2727273), wk = 0.0015026 k( 176) = ( 0.0909091 -0.0909091 0.3636364), wk = 0.0015026 k( 177) = ( 0.0909091 -0.0909091 0.4545455), wk = 0.0015026 k( 178) = ( 0.0909091 -0.0909091 -0.4545455), wk = 0.0015026 k( 179) = ( 0.0909091 -0.0909091 -0.3636364), wk = 0.0015026 k( 180) = ( 0.0909091 -0.0909091 -0.2727273), wk = 0.0015026 k( 181) = ( 0.0909091 -0.0909091 -0.1818182), wk = 0.0015026 k( 182) = ( 0.0909091 -0.0909091 -0.0909091), wk = 0.0015026 k( 183) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0015026 k( 184) = ( 0.1818182 -0.0000000 0.0909091), wk = 0.0015026 k( 185) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0015026 k( 186) = ( 0.1818182 -0.0000000 0.2727273), wk = 0.0015026 k( 187) = ( 0.1818182 -0.0000000 0.3636364), wk = 0.0015026 k( 188) = ( 0.1818182 -0.0000000 0.4545455), wk = 0.0015026 k( 189) = ( 0.1818182 -0.0000000 -0.4545455), wk = 0.0015026 k( 190) = ( 0.1818182 -0.0000000 -0.3636364), wk = 0.0015026 k( 191) = ( 0.1818182 -0.0000000 -0.2727273), wk = 0.0015026 k( 192) = ( 0.1818182 -0.0000000 -0.1818182), wk = 0.0015026 k( 193) = ( 0.1818182 -0.0000000 -0.0909091), wk = 0.0015026 k( 194) = ( 0.1818182 0.0909091 -0.0000000), wk = 0.0015026 k( 195) = ( 0.1818182 0.0909091 0.0909091), wk = 0.0015026 k( 196) = ( 0.1818182 0.0909091 0.1818182), wk = 0.0015026 k( 197) = ( 0.1818182 0.0909091 0.2727273), wk = 0.0015026 k( 198) = ( 0.1818182 0.0909091 0.3636364), wk = 0.0015026 k( 199) = ( 0.1818182 0.0909091 0.4545455), wk = 0.0015026 k( 200) = ( 0.1818182 0.0909091 -0.4545455), wk = 0.0015026 k( 201) = ( 0.1818182 0.0909091 -0.3636364), wk = 0.0015026 k( 202) = ( 0.1818182 0.0909091 -0.2727273), wk = 0.0015026 k( 203) = ( 0.1818182 0.0909091 -0.1818182), wk = 0.0015026 k( 204) = ( 0.1818182 0.0909091 -0.0909091), wk = 0.0015026 k( 205) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0015026 k( 206) = ( 0.1818182 0.1818182 0.0909091), wk = 0.0015026 k( 207) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0015026 k( 208) = ( 0.1818182 0.1818182 0.2727273), wk = 0.0015026 k( 209) = ( 0.1818182 0.1818182 0.3636364), wk = 0.0015026 k( 210) = ( 0.1818182 0.1818182 0.4545455), wk = 0.0015026 k( 211) = ( 0.1818182 0.1818182 -0.4545455), wk = 0.0015026 k( 212) = ( 0.1818182 0.1818182 -0.3636364), wk = 0.0015026 k( 213) = ( 0.1818182 0.1818182 -0.2727273), wk = 0.0015026 k( 214) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0015026 k( 215) = ( 0.1818182 0.1818182 -0.0909091), wk = 0.0015026 k( 216) = ( 0.1818182 0.2727273 0.0000000), wk = 0.0015026 k( 217) = ( 0.1818182 0.2727273 0.0909091), wk = 0.0015026 k( 218) = ( 0.1818182 0.2727273 0.1818182), wk = 0.0015026 k( 219) = ( 0.1818182 0.2727273 0.2727273), wk = 0.0015026 k( 220) = ( 0.1818182 0.2727273 0.3636364), wk = 0.0015026 k( 221) = ( 0.1818182 0.2727273 0.4545455), wk = 0.0015026 k( 222) = ( 0.1818182 0.2727273 -0.4545455), wk = 0.0015026 k( 223) = ( 0.1818182 0.2727273 -0.3636364), wk = 0.0015026 k( 224) = ( 0.1818182 0.2727273 -0.2727273), wk = 0.0015026 k( 225) = ( 0.1818182 0.2727273 -0.1818182), wk = 0.0015026 k( 226) = ( 0.1818182 0.2727273 -0.0909091), wk = 0.0015026 k( 227) = ( 0.1818182 0.3636364 -0.0000000), wk = 0.0015026 k( 228) = ( 0.1818182 0.3636364 0.0909091), wk = 0.0015026 k( 229) = ( 0.1818182 0.3636364 0.1818182), wk = 0.0015026 k( 230) = ( 0.1818182 0.3636364 0.2727273), wk = 0.0015026 k( 231) = ( 0.1818182 0.3636364 0.3636364), wk = 0.0015026 k( 232) = ( 0.1818182 0.3636364 0.4545455), wk = 0.0015026 k( 233) = ( 0.1818182 0.3636364 -0.4545455), wk = 0.0015026 k( 234) = ( 0.1818182 0.3636364 -0.3636364), wk = 0.0015026 k( 235) = ( 0.1818182 0.3636364 -0.2727273), wk = 0.0015026 k( 236) = ( 0.1818182 0.3636364 -0.1818182), wk = 0.0015026 k( 237) = ( 0.1818182 0.3636364 -0.0909091), wk = 0.0015026 k( 238) = ( 0.1818182 0.4545455 -0.0000000), wk = 0.0015026 k( 239) = ( 0.1818182 0.4545455 0.0909091), wk = 0.0015026 k( 240) = ( 0.1818182 0.4545455 0.1818182), wk = 0.0015026 k( 241) = ( 0.1818182 0.4545455 0.2727273), wk = 0.0015026 k( 242) = ( 0.1818182 0.4545455 0.3636364), wk = 0.0015026 k( 243) = ( 0.1818182 0.4545455 0.4545455), wk = 0.0015026 k( 244) = ( 0.1818182 0.4545455 -0.4545455), wk = 0.0015026 k( 245) = ( 0.1818182 0.4545455 -0.3636364), wk = 0.0015026 k( 246) = ( 0.1818182 0.4545455 -0.2727273), wk = 0.0015026 k( 247) = ( 0.1818182 0.4545455 -0.1818182), wk = 0.0015026 k( 248) = ( 0.1818182 0.4545455 -0.0909091), wk = 0.0015026 k( 249) = ( 0.1818182 -0.4545455 -0.0000000), wk = 0.0015026 k( 250) = ( 0.1818182 -0.4545455 0.0909091), wk = 0.0015026 k( 251) = ( 0.1818182 -0.4545455 0.1818182), wk = 0.0015026 k( 252) = ( 0.1818182 -0.4545455 0.2727273), wk = 0.0015026 k( 253) = ( 0.1818182 -0.4545455 0.3636364), wk = 0.0015026 k( 254) = ( 0.1818182 -0.4545455 0.4545455), wk = 0.0015026 k( 255) = ( 0.1818182 -0.4545455 -0.4545455), wk = 0.0015026 k( 256) = ( 0.1818182 -0.4545455 -0.3636364), wk = 0.0015026 k( 257) = ( 0.1818182 -0.4545455 -0.2727273), wk = 0.0015026 k( 258) = ( 0.1818182 -0.4545455 -0.1818182), wk = 0.0015026 k( 259) = ( 0.1818182 -0.4545455 -0.0909091), wk = 0.0015026 k( 260) = ( 0.1818182 -0.3636364 0.0000000), wk = 0.0015026 k( 261) = ( 0.1818182 -0.3636364 0.0909091), wk = 0.0015026 k( 262) = ( 0.1818182 -0.3636364 0.1818182), wk = 0.0015026 k( 263) = ( 0.1818182 -0.3636364 0.2727273), wk = 0.0015026 k( 264) = ( 0.1818182 -0.3636364 0.3636364), wk = 0.0015026 k( 265) = ( 0.1818182 -0.3636364 0.4545455), wk = 0.0015026 k( 266) = ( 0.1818182 -0.3636364 -0.4545455), wk = 0.0015026 k( 267) = ( 0.1818182 -0.3636364 -0.3636364), wk = 0.0015026 k( 268) = ( 0.1818182 -0.3636364 -0.2727273), wk = 0.0015026 k( 269) = ( 0.1818182 -0.3636364 -0.1818182), wk = 0.0015026 k( 270) = ( 0.1818182 -0.3636364 -0.0909091), wk = 0.0015026 k( 271) = ( 0.1818182 -0.2727273 -0.0000000), wk = 0.0015026 k( 272) = ( 0.1818182 -0.2727273 0.0909091), wk = 0.0015026 k( 273) = ( 0.1818182 -0.2727273 0.1818182), wk = 0.0015026 k( 274) = ( 0.1818182 -0.2727273 0.2727273), wk = 0.0015026 k( 275) = ( 0.1818182 -0.2727273 0.3636364), wk = 0.0015026 k( 276) = ( 0.1818182 -0.2727273 0.4545455), wk = 0.0015026 k( 277) = ( 0.1818182 -0.2727273 -0.4545455), wk = 0.0015026 k( 278) = ( 0.1818182 -0.2727273 -0.3636364), wk = 0.0015026 k( 279) = ( 0.1818182 -0.2727273 -0.2727273), wk = 0.0015026 k( 280) = ( 0.1818182 -0.2727273 -0.1818182), wk = 0.0015026 k( 281) = ( 0.1818182 -0.2727273 -0.0909091), wk = 0.0015026 k( 282) = ( 0.1818182 -0.1818182 -0.0000000), wk = 0.0015026 k( 283) = ( 0.1818182 -0.1818182 0.0909091), wk = 0.0015026 k( 284) = ( 0.1818182 -0.1818182 0.1818182), wk = 0.0015026 k( 285) = ( 0.1818182 -0.1818182 0.2727273), wk = 0.0015026 k( 286) = ( 0.1818182 -0.1818182 0.3636364), wk = 0.0015026 k( 287) = ( 0.1818182 -0.1818182 0.4545455), wk = 0.0015026 k( 288) = ( 0.1818182 -0.1818182 -0.4545455), wk = 0.0015026 k( 289) = ( 0.1818182 -0.1818182 -0.3636364), wk = 0.0015026 k( 290) = ( 0.1818182 -0.1818182 -0.2727273), wk = 0.0015026 k( 291) = ( 0.1818182 -0.1818182 -0.1818182), wk = 0.0015026 k( 292) = ( 0.1818182 -0.1818182 -0.0909091), wk = 0.0015026 k( 293) = ( 0.1818182 -0.0909091 -0.0000000), wk = 0.0015026 k( 294) = ( 0.1818182 -0.0909091 0.0909091), wk = 0.0015026 k( 295) = ( 0.1818182 -0.0909091 0.1818182), wk = 0.0015026 k( 296) = ( 0.1818182 -0.0909091 0.2727273), wk = 0.0015026 k( 297) = ( 0.1818182 -0.0909091 0.3636364), wk = 0.0015026 k( 298) = ( 0.1818182 -0.0909091 0.4545455), wk = 0.0015026 k( 299) = ( 0.1818182 -0.0909091 -0.4545455), wk = 0.0015026 k( 300) = ( 0.1818182 -0.0909091 -0.3636364), wk = 0.0015026 k( 301) = ( 0.1818182 -0.0909091 -0.2727273), wk = 0.0015026 k( 302) = ( 0.1818182 -0.0909091 -0.1818182), wk = 0.0015026 k( 303) = ( 0.1818182 -0.0909091 -0.0909091), wk = 0.0015026 k( 304) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0015026 k( 305) = ( 0.2727273 -0.0000000 0.0909091), wk = 0.0015026 k( 306) = ( 0.2727273 -0.0000000 0.1818182), wk = 0.0015026 k( 307) = ( 0.2727273 -0.0000000 0.2727273), wk = 0.0015026 k( 308) = ( 0.2727273 -0.0000000 0.3636364), wk = 0.0015026 k( 309) = ( 0.2727273 -0.0000000 0.4545455), wk = 0.0015026 k( 310) = ( 0.2727273 -0.0000000 -0.4545455), wk = 0.0015026 k( 311) = ( 0.2727273 -0.0000000 -0.3636364), wk = 0.0015026 k( 312) = ( 0.2727273 -0.0000000 -0.2727273), wk = 0.0015026 k( 313) = ( 0.2727273 -0.0000000 -0.1818182), wk = 0.0015026 k( 314) = ( 0.2727273 -0.0000000 -0.0909091), wk = 0.0015026 k( 315) = ( 0.2727273 0.0909091 0.0000000), wk = 0.0015026 k( 316) = ( 0.2727273 0.0909091 0.0909091), wk = 0.0015026 k( 317) = ( 0.2727273 0.0909091 0.1818182), wk = 0.0015026 k( 318) = ( 0.2727273 0.0909091 0.2727273), wk = 0.0015026 k( 319) = ( 0.2727273 0.0909091 0.3636364), wk = 0.0015026 k( 320) = ( 0.2727273 0.0909091 0.4545455), wk = 0.0015026 k( 321) = ( 0.2727273 0.0909091 -0.4545455), wk = 0.0015026 k( 322) = ( 0.2727273 0.0909091 -0.3636364), wk = 0.0015026 k( 323) = ( 0.2727273 0.0909091 -0.2727273), wk = 0.0015026 k( 324) = ( 0.2727273 0.0909091 -0.1818182), wk = 0.0015026 k( 325) = ( 0.2727273 0.0909091 -0.0909091), wk = 0.0015026 k( 326) = ( 0.2727273 0.1818182 -0.0000000), wk = 0.0015026 k( 327) = ( 0.2727273 0.1818182 0.0909091), wk = 0.0015026 k( 328) = ( 0.2727273 0.1818182 0.1818182), wk = 0.0015026 k( 329) = ( 0.2727273 0.1818182 0.2727273), wk = 0.0015026 k( 330) = ( 0.2727273 0.1818182 0.3636364), wk = 0.0015026 k( 331) = ( 0.2727273 0.1818182 0.4545455), wk = 0.0015026 k( 332) = ( 0.2727273 0.1818182 -0.4545455), wk = 0.0015026 k( 333) = ( 0.2727273 0.1818182 -0.3636364), wk = 0.0015026 k( 334) = ( 0.2727273 0.1818182 -0.2727273), wk = 0.0015026 k( 335) = ( 0.2727273 0.1818182 -0.1818182), wk = 0.0015026 k( 336) = ( 0.2727273 0.1818182 -0.0909091), wk = 0.0015026 k( 337) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0015026 k( 338) = ( 0.2727273 0.2727273 0.0909091), wk = 0.0015026 k( 339) = ( 0.2727273 0.2727273 0.1818182), wk = 0.0015026 k( 340) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0015026 k( 341) = ( 0.2727273 0.2727273 0.3636364), wk = 0.0015026 k( 342) = ( 0.2727273 0.2727273 0.4545455), wk = 0.0015026 k( 343) = ( 0.2727273 0.2727273 -0.4545455), wk = 0.0015026 k( 344) = ( 0.2727273 0.2727273 -0.3636364), wk = 0.0015026 k( 345) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0015026 k( 346) = ( 0.2727273 0.2727273 -0.1818182), wk = 0.0015026 k( 347) = ( 0.2727273 0.2727273 -0.0909091), wk = 0.0015026 k( 348) = ( 0.2727273 0.3636364 -0.0000000), wk = 0.0015026 k( 349) = ( 0.2727273 0.3636364 0.0909091), wk = 0.0015026 k( 350) = ( 0.2727273 0.3636364 0.1818182), wk = 0.0015026 k( 351) = ( 0.2727273 0.3636364 0.2727273), wk = 0.0015026 k( 352) = ( 0.2727273 0.3636364 0.3636364), wk = 0.0015026 k( 353) = ( 0.2727273 0.3636364 0.4545455), wk = 0.0015026 k( 354) = ( 0.2727273 0.3636364 -0.4545455), wk = 0.0015026 k( 355) = ( 0.2727273 0.3636364 -0.3636364), wk = 0.0015026 k( 356) = ( 0.2727273 0.3636364 -0.2727273), wk = 0.0015026 k( 357) = ( 0.2727273 0.3636364 -0.1818182), wk = 0.0015026 k( 358) = ( 0.2727273 0.3636364 -0.0909091), wk = 0.0015026 k( 359) = ( 0.2727273 0.4545455 -0.0000000), wk = 0.0015026 k( 360) = ( 0.2727273 0.4545455 0.0909091), wk = 0.0015026 k( 361) = ( 0.2727273 0.4545455 0.1818182), wk = 0.0015026 k( 362) = ( 0.2727273 0.4545455 0.2727273), wk = 0.0015026 k( 363) = ( 0.2727273 0.4545455 0.3636364), wk = 0.0015026 k( 364) = ( 0.2727273 0.4545455 0.4545455), wk = 0.0015026 k( 365) = ( 0.2727273 0.4545455 -0.4545455), wk = 0.0015026 k( 366) = ( 0.2727273 0.4545455 -0.3636364), wk = 0.0015026 k( 367) = ( 0.2727273 0.4545455 -0.2727273), wk = 0.0015026 k( 368) = ( 0.2727273 0.4545455 -0.1818182), wk = 0.0015026 k( 369) = ( 0.2727273 0.4545455 -0.0909091), wk = 0.0015026 k( 370) = ( 0.2727273 -0.4545455 -0.0000000), wk = 0.0015026 k( 371) = ( 0.2727273 -0.4545455 0.0909091), wk = 0.0015026 k( 372) = ( 0.2727273 -0.4545455 0.1818182), wk = 0.0015026 k( 373) = ( 0.2727273 -0.4545455 0.2727273), wk = 0.0015026 k( 374) = ( 0.2727273 -0.4545455 0.3636364), wk = 0.0015026 k( 375) = ( 0.2727273 -0.4545455 0.4545455), wk = 0.0015026 k( 376) = ( 0.2727273 -0.4545455 -0.4545455), wk = 0.0015026 k( 377) = ( 0.2727273 -0.4545455 -0.3636364), wk = 0.0015026 k( 378) = ( 0.2727273 -0.4545455 -0.2727273), wk = 0.0015026 k( 379) = ( 0.2727273 -0.4545455 -0.1818182), wk = 0.0015026 k( 380) = ( 0.2727273 -0.4545455 -0.0909091), wk = 0.0015026 k( 381) = ( 0.2727273 -0.3636364 -0.0000000), wk = 0.0015026 k( 382) = ( 0.2727273 -0.3636364 0.0909091), wk = 0.0015026 k( 383) = ( 0.2727273 -0.3636364 0.1818182), wk = 0.0015026 k( 384) = ( 0.2727273 -0.3636364 0.2727273), wk = 0.0015026 k( 385) = ( 0.2727273 -0.3636364 0.3636364), wk = 0.0015026 k( 386) = ( 0.2727273 -0.3636364 0.4545455), wk = 0.0015026 k( 387) = ( 0.2727273 -0.3636364 -0.4545455), wk = 0.0015026 k( 388) = ( 0.2727273 -0.3636364 -0.3636364), wk = 0.0015026 k( 389) = ( 0.2727273 -0.3636364 -0.2727273), wk = 0.0015026 k( 390) = ( 0.2727273 -0.3636364 -0.1818182), wk = 0.0015026 k( 391) = ( 0.2727273 -0.3636364 -0.0909091), wk = 0.0015026 k( 392) = ( 0.2727273 -0.2727273 -0.0000000), wk = 0.0015026 k( 393) = ( 0.2727273 -0.2727273 0.0909091), wk = 0.0015026 k( 394) = ( 0.2727273 -0.2727273 0.1818182), wk = 0.0015026 k( 395) = ( 0.2727273 -0.2727273 0.2727273), wk = 0.0015026 k( 396) = ( 0.2727273 -0.2727273 0.3636364), wk = 0.0015026 k( 397) = ( 0.2727273 -0.2727273 0.4545455), wk = 0.0015026 k( 398) = ( 0.2727273 -0.2727273 -0.4545455), wk = 0.0015026 k( 399) = ( 0.2727273 -0.2727273 -0.3636364), wk = 0.0015026 k( 400) = ( 0.2727273 -0.2727273 -0.2727273), wk = 0.0015026 k( 401) = ( 0.2727273 -0.2727273 -0.1818182), wk = 0.0015026 k( 402) = ( 0.2727273 -0.2727273 -0.0909091), wk = 0.0015026 k( 403) = ( 0.2727273 -0.1818182 -0.0000000), wk = 0.0015026 k( 404) = ( 0.2727273 -0.1818182 0.0909091), wk = 0.0015026 k( 405) = ( 0.2727273 -0.1818182 0.1818182), wk = 0.0015026 k( 406) = ( 0.2727273 -0.1818182 0.2727273), wk = 0.0015026 k( 407) = ( 0.2727273 -0.1818182 0.3636364), wk = 0.0015026 k( 408) = ( 0.2727273 -0.1818182 0.4545455), wk = 0.0015026 k( 409) = ( 0.2727273 -0.1818182 -0.4545455), wk = 0.0015026 k( 410) = ( 0.2727273 -0.1818182 -0.3636364), wk = 0.0015026 k( 411) = ( 0.2727273 -0.1818182 -0.2727273), wk = 0.0015026 k( 412) = ( 0.2727273 -0.1818182 -0.1818182), wk = 0.0015026 k( 413) = ( 0.2727273 -0.1818182 -0.0909091), wk = 0.0015026 k( 414) = ( 0.2727273 -0.0909091 -0.0000000), wk = 0.0015026 k( 415) = ( 0.2727273 -0.0909091 0.0909091), wk = 0.0015026 k( 416) = ( 0.2727273 -0.0909091 0.1818182), wk = 0.0015026 k( 417) = ( 0.2727273 -0.0909091 0.2727273), wk = 0.0015026 k( 418) = ( 0.2727273 -0.0909091 0.3636364), wk = 0.0015026 k( 419) = ( 0.2727273 -0.0909091 0.4545455), wk = 0.0015026 k( 420) = ( 0.2727273 -0.0909091 -0.4545455), wk = 0.0015026 k( 421) = ( 0.2727273 -0.0909091 -0.3636364), wk = 0.0015026 k( 422) = ( 0.2727273 -0.0909091 -0.2727273), wk = 0.0015026 k( 423) = ( 0.2727273 -0.0909091 -0.1818182), wk = 0.0015026 k( 424) = ( 0.2727273 -0.0909091 -0.0909091), wk = 0.0015026 k( 425) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0015026 k( 426) = ( 0.3636364 -0.0000000 0.0909091), wk = 0.0015026 k( 427) = ( 0.3636364 -0.0000000 0.1818182), wk = 0.0015026 k( 428) = ( 0.3636364 -0.0000000 0.2727273), wk = 0.0015026 k( 429) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0015026 k( 430) = ( 0.3636364 -0.0000000 0.4545455), wk = 0.0015026 k( 431) = ( 0.3636364 -0.0000000 -0.4545455), wk = 0.0015026 k( 432) = ( 0.3636364 -0.0000000 -0.3636364), wk = 0.0015026 k( 433) = ( 0.3636364 -0.0000000 -0.2727273), wk = 0.0015026 k( 434) = ( 0.3636364 -0.0000000 -0.1818182), wk = 0.0015026 k( 435) = ( 0.3636364 -0.0000000 -0.0909091), wk = 0.0015026 k( 436) = ( 0.3636364 0.0909091 0.0000000), wk = 0.0015026 k( 437) = ( 0.3636364 0.0909091 0.0909091), wk = 0.0015026 k( 438) = ( 0.3636364 0.0909091 0.1818182), wk = 0.0015026 k( 439) = ( 0.3636364 0.0909091 0.2727273), wk = 0.0015026 k( 440) = ( 0.3636364 0.0909091 0.3636364), wk = 0.0015026 k( 441) = ( 0.3636364 0.0909091 0.4545455), wk = 0.0015026 k( 442) = ( 0.3636364 0.0909091 -0.4545455), wk = 0.0015026 k( 443) = ( 0.3636364 0.0909091 -0.3636364), wk = 0.0015026 k( 444) = ( 0.3636364 0.0909091 -0.2727273), wk = 0.0015026 k( 445) = ( 0.3636364 0.0909091 -0.1818182), wk = 0.0015026 k( 446) = ( 0.3636364 0.0909091 -0.0909091), wk = 0.0015026 k( 447) = ( 0.3636364 0.1818182 -0.0000000), wk = 0.0015026 k( 448) = ( 0.3636364 0.1818182 0.0909091), wk = 0.0015026 k( 449) = ( 0.3636364 0.1818182 0.1818182), wk = 0.0015026 k( 450) = ( 0.3636364 0.1818182 0.2727273), wk = 0.0015026 k( 451) = ( 0.3636364 0.1818182 0.3636364), wk = 0.0015026 k( 452) = ( 0.3636364 0.1818182 0.4545455), wk = 0.0015026 k( 453) = ( 0.3636364 0.1818182 -0.4545455), wk = 0.0015026 k( 454) = ( 0.3636364 0.1818182 -0.3636364), wk = 0.0015026 k( 455) = ( 0.3636364 0.1818182 -0.2727273), wk = 0.0015026 k( 456) = ( 0.3636364 0.1818182 -0.1818182), wk = 0.0015026 k( 457) = ( 0.3636364 0.1818182 -0.0909091), wk = 0.0015026 k( 458) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0015026 k( 459) = ( 0.3636364 0.2727273 0.0909091), wk = 0.0015026 k( 460) = ( 0.3636364 0.2727273 0.1818182), wk = 0.0015026 k( 461) = ( 0.3636364 0.2727273 0.2727273), wk = 0.0015026 k( 462) = ( 0.3636364 0.2727273 0.3636364), wk = 0.0015026 k( 463) = ( 0.3636364 0.2727273 0.4545455), wk = 0.0015026 k( 464) = ( 0.3636364 0.2727273 -0.4545455), wk = 0.0015026 k( 465) = ( 0.3636364 0.2727273 -0.3636364), wk = 0.0015026 k( 466) = ( 0.3636364 0.2727273 -0.2727273), wk = 0.0015026 k( 467) = ( 0.3636364 0.2727273 -0.1818182), wk = 0.0015026 k( 468) = ( 0.3636364 0.2727273 -0.0909091), wk = 0.0015026 k( 469) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0015026 k( 470) = ( 0.3636364 0.3636364 0.0909091), wk = 0.0015026 k( 471) = ( 0.3636364 0.3636364 0.1818182), wk = 0.0015026 k( 472) = ( 0.3636364 0.3636364 0.2727273), wk = 0.0015026 k( 473) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0015026 k( 474) = ( 0.3636364 0.3636364 0.4545455), wk = 0.0015026 k( 475) = ( 0.3636364 0.3636364 -0.4545455), wk = 0.0015026 k( 476) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0015026 k( 477) = ( 0.3636364 0.3636364 -0.2727273), wk = 0.0015026 k( 478) = ( 0.3636364 0.3636364 -0.1818182), wk = 0.0015026 k( 479) = ( 0.3636364 0.3636364 -0.0909091), wk = 0.0015026 k( 480) = ( 0.3636364 0.4545455 0.0000000), wk = 0.0015026 k( 481) = ( 0.3636364 0.4545455 0.0909091), wk = 0.0015026 k( 482) = ( 0.3636364 0.4545455 0.1818182), wk = 0.0015026 k( 483) = ( 0.3636364 0.4545455 0.2727273), wk = 0.0015026 k( 484) = ( 0.3636364 0.4545455 0.3636364), wk = 0.0015026 k( 485) = ( 0.3636364 0.4545455 0.4545455), wk = 0.0015026 k( 486) = ( 0.3636364 0.4545455 -0.4545455), wk = 0.0015026 k( 487) = ( 0.3636364 0.4545455 -0.3636364), wk = 0.0015026 k( 488) = ( 0.3636364 0.4545455 -0.2727273), wk = 0.0015026 k( 489) = ( 0.3636364 0.4545455 -0.1818182), wk = 0.0015026 k( 490) = ( 0.3636364 0.4545455 -0.0909091), wk = 0.0015026 k( 491) = ( 0.3636364 -0.4545455 -0.0000000), wk = 0.0015026 k( 492) = ( 0.3636364 -0.4545455 0.0909091), wk = 0.0015026 k( 493) = ( 0.3636364 -0.4545455 0.1818182), wk = 0.0015026 k( 494) = ( 0.3636364 -0.4545455 0.2727273), wk = 0.0015026 k( 495) = ( 0.3636364 -0.4545455 0.3636364), wk = 0.0015026 k( 496) = ( 0.3636364 -0.4545455 0.4545455), wk = 0.0015026 k( 497) = ( 0.3636364 -0.4545455 -0.4545455), wk = 0.0015026 k( 498) = ( 0.3636364 -0.4545455 -0.3636364), wk = 0.0015026 k( 499) = ( 0.3636364 -0.4545455 -0.2727273), wk = 0.0015026 k( 500) = ( 0.3636364 -0.4545455 -0.1818182), wk = 0.0015026 k( 501) = ( 0.3636364 -0.4545455 -0.0909091), wk = 0.0015026 k( 502) = ( 0.3636364 -0.3636364 -0.0000000), wk = 0.0015026 k( 503) = ( 0.3636364 -0.3636364 0.0909091), wk = 0.0015026 k( 504) = ( 0.3636364 -0.3636364 0.1818182), wk = 0.0015026 k( 505) = ( 0.3636364 -0.3636364 0.2727273), wk = 0.0015026 k( 506) = ( 0.3636364 -0.3636364 0.3636364), wk = 0.0015026 k( 507) = ( 0.3636364 -0.3636364 0.4545455), wk = 0.0015026 k( 508) = ( 0.3636364 -0.3636364 -0.4545455), wk = 0.0015026 k( 509) = ( 0.3636364 -0.3636364 -0.3636364), wk = 0.0015026 k( 510) = ( 0.3636364 -0.3636364 -0.2727273), wk = 0.0015026 k( 511) = ( 0.3636364 -0.3636364 -0.1818182), wk = 0.0015026 k( 512) = ( 0.3636364 -0.3636364 -0.0909091), wk = 0.0015026 k( 513) = ( 0.3636364 -0.2727273 -0.0000000), wk = 0.0015026 k( 514) = ( 0.3636364 -0.2727273 0.0909091), wk = 0.0015026 k( 515) = ( 0.3636364 -0.2727273 0.1818182), wk = 0.0015026 k( 516) = ( 0.3636364 -0.2727273 0.2727273), wk = 0.0015026 k( 517) = ( 0.3636364 -0.2727273 0.3636364), wk = 0.0015026 k( 518) = ( 0.3636364 -0.2727273 0.4545455), wk = 0.0015026 k( 519) = ( 0.3636364 -0.2727273 -0.4545455), wk = 0.0015026 k( 520) = ( 0.3636364 -0.2727273 -0.3636364), wk = 0.0015026 k( 521) = ( 0.3636364 -0.2727273 -0.2727273), wk = 0.0015026 k( 522) = ( 0.3636364 -0.2727273 -0.1818182), wk = 0.0015026 k( 523) = ( 0.3636364 -0.2727273 -0.0909091), wk = 0.0015026 k( 524) = ( 0.3636364 -0.1818182 -0.0000000), wk = 0.0015026 k( 525) = ( 0.3636364 -0.1818182 0.0909091), wk = 0.0015026 k( 526) = ( 0.3636364 -0.1818182 0.1818182), wk = 0.0015026 k( 527) = ( 0.3636364 -0.1818182 0.2727273), wk = 0.0015026 k( 528) = ( 0.3636364 -0.1818182 0.3636364), wk = 0.0015026 k( 529) = ( 0.3636364 -0.1818182 0.4545455), wk = 0.0015026 k( 530) = ( 0.3636364 -0.1818182 -0.4545455), wk = 0.0015026 k( 531) = ( 0.3636364 -0.1818182 -0.3636364), wk = 0.0015026 k( 532) = ( 0.3636364 -0.1818182 -0.2727273), wk = 0.0015026 k( 533) = ( 0.3636364 -0.1818182 -0.1818182), wk = 0.0015026 k( 534) = ( 0.3636364 -0.1818182 -0.0909091), wk = 0.0015026 k( 535) = ( 0.3636364 -0.0909091 -0.0000000), wk = 0.0015026 k( 536) = ( 0.3636364 -0.0909091 0.0909091), wk = 0.0015026 k( 537) = ( 0.3636364 -0.0909091 0.1818182), wk = 0.0015026 k( 538) = ( 0.3636364 -0.0909091 0.2727273), wk = 0.0015026 k( 539) = ( 0.3636364 -0.0909091 0.3636364), wk = 0.0015026 k( 540) = ( 0.3636364 -0.0909091 0.4545455), wk = 0.0015026 k( 541) = ( 0.3636364 -0.0909091 -0.4545455), wk = 0.0015026 k( 542) = ( 0.3636364 -0.0909091 -0.3636364), wk = 0.0015026 k( 543) = ( 0.3636364 -0.0909091 -0.2727273), wk = 0.0015026 k( 544) = ( 0.3636364 -0.0909091 -0.1818182), wk = 0.0015026 k( 545) = ( 0.3636364 -0.0909091 -0.0909091), wk = 0.0015026 k( 546) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0015026 k( 547) = ( 0.4545455 0.0000000 0.0909091), wk = 0.0015026 k( 548) = ( 0.4545455 0.0000000 0.1818182), wk = 0.0015026 k( 549) = ( 0.4545455 0.0000000 0.2727273), wk = 0.0015026 k( 550) = ( 0.4545455 0.0000000 0.3636364), wk = 0.0015026 k( 551) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0015026 k( 552) = ( 0.4545455 0.0000000 -0.4545455), wk = 0.0015026 k( 553) = ( 0.4545455 0.0000000 -0.3636364), wk = 0.0015026 k( 554) = ( 0.4545455 0.0000000 -0.2727273), wk = 0.0015026 k( 555) = ( 0.4545455 0.0000000 -0.1818182), wk = 0.0015026 k( 556) = ( 0.4545455 0.0000000 -0.0909091), wk = 0.0015026 k( 557) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0015026 k( 558) = ( 0.4545455 0.0909091 0.0909091), wk = 0.0015026 k( 559) = ( 0.4545455 0.0909091 0.1818182), wk = 0.0015026 k( 560) = ( 0.4545455 0.0909091 0.2727273), wk = 0.0015026 k( 561) = ( 0.4545455 0.0909091 0.3636364), wk = 0.0015026 k( 562) = ( 0.4545455 0.0909091 0.4545455), wk = 0.0015026 k( 563) = ( 0.4545455 0.0909091 -0.4545455), wk = 0.0015026 k( 564) = ( 0.4545455 0.0909091 -0.3636364), wk = 0.0015026 k( 565) = ( 0.4545455 0.0909091 -0.2727273), wk = 0.0015026 k( 566) = ( 0.4545455 0.0909091 -0.1818182), wk = 0.0015026 k( 567) = ( 0.4545455 0.0909091 -0.0909091), wk = 0.0015026 k( 568) = ( 0.4545455 0.1818182 -0.0000000), wk = 0.0015026 k( 569) = ( 0.4545455 0.1818182 0.0909091), wk = 0.0015026 k( 570) = ( 0.4545455 0.1818182 0.1818182), wk = 0.0015026 k( 571) = ( 0.4545455 0.1818182 0.2727273), wk = 0.0015026 k( 572) = ( 0.4545455 0.1818182 0.3636364), wk = 0.0015026 k( 573) = ( 0.4545455 0.1818182 0.4545455), wk = 0.0015026 k( 574) = ( 0.4545455 0.1818182 -0.4545455), wk = 0.0015026 k( 575) = ( 0.4545455 0.1818182 -0.3636364), wk = 0.0015026 k( 576) = ( 0.4545455 0.1818182 -0.2727273), wk = 0.0015026 k( 577) = ( 0.4545455 0.1818182 -0.1818182), wk = 0.0015026 k( 578) = ( 0.4545455 0.1818182 -0.0909091), wk = 0.0015026 k( 579) = ( 0.4545455 0.2727273 0.0000000), wk = 0.0015026 k( 580) = ( 0.4545455 0.2727273 0.0909091), wk = 0.0015026 k( 581) = ( 0.4545455 0.2727273 0.1818182), wk = 0.0015026 k( 582) = ( 0.4545455 0.2727273 0.2727273), wk = 0.0015026 k( 583) = ( 0.4545455 0.2727273 0.3636364), wk = 0.0015026 k( 584) = ( 0.4545455 0.2727273 0.4545455), wk = 0.0015026 k( 585) = ( 0.4545455 0.2727273 -0.4545455), wk = 0.0015026 k( 586) = ( 0.4545455 0.2727273 -0.3636364), wk = 0.0015026 k( 587) = ( 0.4545455 0.2727273 -0.2727273), wk = 0.0015026 k( 588) = ( 0.4545455 0.2727273 -0.1818182), wk = 0.0015026 k( 589) = ( 0.4545455 0.2727273 -0.0909091), wk = 0.0015026 k( 590) = ( 0.4545455 0.3636364 -0.0000000), wk = 0.0015026 k( 591) = ( 0.4545455 0.3636364 0.0909091), wk = 0.0015026 k( 592) = ( 0.4545455 0.3636364 0.1818182), wk = 0.0015026 k( 593) = ( 0.4545455 0.3636364 0.2727273), wk = 0.0015026 k( 594) = ( 0.4545455 0.3636364 0.3636364), wk = 0.0015026 k( 595) = ( 0.4545455 0.3636364 0.4545455), wk = 0.0015026 k( 596) = ( 0.4545455 0.3636364 -0.4545455), wk = 0.0015026 k( 597) = ( 0.4545455 0.3636364 -0.3636364), wk = 0.0015026 k( 598) = ( 0.4545455 0.3636364 -0.2727273), wk = 0.0015026 k( 599) = ( 0.4545455 0.3636364 -0.1818182), wk = 0.0015026 k( 600) = ( 0.4545455 0.3636364 -0.0909091), wk = 0.0015026 k( 601) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0015026 k( 602) = ( 0.4545455 0.4545455 0.0909091), wk = 0.0015026 k( 603) = ( 0.4545455 0.4545455 0.1818182), wk = 0.0015026 k( 604) = ( 0.4545455 0.4545455 0.2727273), wk = 0.0015026 k( 605) = ( 0.4545455 0.4545455 0.3636364), wk = 0.0015026 k( 606) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0015026 k( 607) = ( 0.4545455 0.4545455 -0.4545455), wk = 0.0015026 k( 608) = ( 0.4545455 0.4545455 -0.3636364), wk = 0.0015026 k( 609) = ( 0.4545455 0.4545455 -0.2727273), wk = 0.0015026 k( 610) = ( 0.4545455 0.4545455 -0.1818182), wk = 0.0015026 k( 611) = ( 0.4545455 0.4545455 -0.0909091), wk = 0.0015026 k( 612) = ( 0.4545455 -0.4545455 -0.0000000), wk = 0.0015026 k( 613) = ( 0.4545455 -0.4545455 0.0909091), wk = 0.0015026 k( 614) = ( 0.4545455 -0.4545455 0.1818182), wk = 0.0015026 k( 615) = ( 0.4545455 -0.4545455 0.2727273), wk = 0.0015026 k( 616) = ( 0.4545455 -0.4545455 0.3636364), wk = 0.0015026 k( 617) = ( 0.4545455 -0.4545455 0.4545455), wk = 0.0015026 k( 618) = ( 0.4545455 -0.4545455 -0.4545455), wk = 0.0015026 k( 619) = ( 0.4545455 -0.4545455 -0.3636364), wk = 0.0015026 k( 620) = ( 0.4545455 -0.4545455 -0.2727273), wk = 0.0015026 k( 621) = ( 0.4545455 -0.4545455 -0.1818182), wk = 0.0015026 k( 622) = ( 0.4545455 -0.4545455 -0.0909091), wk = 0.0015026 k( 623) = ( 0.4545455 -0.3636364 0.0000000), wk = 0.0015026 k( 624) = ( 0.4545455 -0.3636364 0.0909091), wk = 0.0015026 k( 625) = ( 0.4545455 -0.3636364 0.1818182), wk = 0.0015026 k( 626) = ( 0.4545455 -0.3636364 0.2727273), wk = 0.0015026 k( 627) = ( 0.4545455 -0.3636364 0.3636364), wk = 0.0015026 k( 628) = ( 0.4545455 -0.3636364 0.4545455), wk = 0.0015026 k( 629) = ( 0.4545455 -0.3636364 -0.4545455), wk = 0.0015026 k( 630) = ( 0.4545455 -0.3636364 -0.3636364), wk = 0.0015026 k( 631) = ( 0.4545455 -0.3636364 -0.2727273), wk = 0.0015026 k( 632) = ( 0.4545455 -0.3636364 -0.1818182), wk = 0.0015026 k( 633) = ( 0.4545455 -0.3636364 -0.0909091), wk = 0.0015026 k( 634) = ( 0.4545455 -0.2727273 -0.0000000), wk = 0.0015026 k( 635) = ( 0.4545455 -0.2727273 0.0909091), wk = 0.0015026 k( 636) = ( 0.4545455 -0.2727273 0.1818182), wk = 0.0015026 k( 637) = ( 0.4545455 -0.2727273 0.2727273), wk = 0.0015026 k( 638) = ( 0.4545455 -0.2727273 0.3636364), wk = 0.0015026 k( 639) = ( 0.4545455 -0.2727273 0.4545455), wk = 0.0015026 k( 640) = ( 0.4545455 -0.2727273 -0.4545455), wk = 0.0015026 k( 641) = ( 0.4545455 -0.2727273 -0.3636364), wk = 0.0015026 k( 642) = ( 0.4545455 -0.2727273 -0.2727273), wk = 0.0015026 k( 643) = ( 0.4545455 -0.2727273 -0.1818182), wk = 0.0015026 k( 644) = ( 0.4545455 -0.2727273 -0.0909091), wk = 0.0015026 k( 645) = ( 0.4545455 -0.1818182 0.0000000), wk = 0.0015026 k( 646) = ( 0.4545455 -0.1818182 0.0909091), wk = 0.0015026 k( 647) = ( 0.4545455 -0.1818182 0.1818182), wk = 0.0015026 k( 648) = ( 0.4545455 -0.1818182 0.2727273), wk = 0.0015026 k( 649) = ( 0.4545455 -0.1818182 0.3636364), wk = 0.0015026 k( 650) = ( 0.4545455 -0.1818182 0.4545455), wk = 0.0015026 k( 651) = ( 0.4545455 -0.1818182 -0.4545455), wk = 0.0015026 k( 652) = ( 0.4545455 -0.1818182 -0.3636364), wk = 0.0015026 k( 653) = ( 0.4545455 -0.1818182 -0.2727273), wk = 0.0015026 k( 654) = ( 0.4545455 -0.1818182 -0.1818182), wk = 0.0015026 k( 655) = ( 0.4545455 -0.1818182 -0.0909091), wk = 0.0015026 k( 656) = ( 0.4545455 -0.0909091 -0.0000000), wk = 0.0015026 k( 657) = ( 0.4545455 -0.0909091 0.0909091), wk = 0.0015026 k( 658) = ( 0.4545455 -0.0909091 0.1818182), wk = 0.0015026 k( 659) = ( 0.4545455 -0.0909091 0.2727273), wk = 0.0015026 k( 660) = ( 0.4545455 -0.0909091 0.3636364), wk = 0.0015026 k( 661) = ( 0.4545455 -0.0909091 0.4545455), wk = 0.0015026 k( 662) = ( 0.4545455 -0.0909091 -0.4545455), wk = 0.0015026 k( 663) = ( 0.4545455 -0.0909091 -0.3636364), wk = 0.0015026 k( 664) = ( 0.4545455 -0.0909091 -0.2727273), wk = 0.0015026 k( 665) = ( 0.4545455 -0.0909091 -0.1818182), wk = 0.0015026 k( 666) = ( 0.4545455 -0.0909091 -0.0909091), wk = 0.0015026 Dense grid: 15793 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 6959 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 60, 20) NL pseudopotentials 0.01 Mb ( 30, 28) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.00 Mb ( 438) G-vector shells 0.00 Mb ( 355) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 60, 80) Each subspace H/S matrix 0.01 Mb ( 20, 20) Each matrix 0.02 Mb ( 28, 2, 20) Arrays for rho mixing 0.49 Mb ( 4050, 8) Check: negative/imaginary core charge= -0.000006 0.000000 Initial potential from superposition of free atoms starting charge 12.00000, renormalised to 12.00000 Starting wfc are 16 randomized atomic wfcs + 4 random wfc total cpu time spent up to now is 3.6 secs per-process dynamical memory: 18.1 Mb Self-consistent Calculation iteration # 1 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 5.4 Threshold (ethr) on eigenvalues was too large: Diagonalizing with lowered threshold Davidson diagonalization with overlap ethr = 4.32E-04, avg # of iterations = 2.8 total cpu time spent up to now is 31.0 secs total energy = -64.47336673 Ry Harris-Foulkes estimate = -64.50442214 Ry estimated scf accuracy < 0.05162733 Ry iteration # 2 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 4.30E-04, avg # of iterations = 2.0 total cpu time spent up to now is 40.1 secs total energy = -64.48111705 Ry Harris-Foulkes estimate = -64.48113078 Ry estimated scf accuracy < 0.00094837 Ry iteration # 3 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 7.90E-06, avg # of iterations = 4.0 total cpu time spent up to now is 57.4 secs total energy = -64.48316940 Ry Harris-Foulkes estimate = -64.48339063 Ry estimated scf accuracy < 0.00036360 Ry iteration # 4 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 3.03E-06, avg # of iterations = 2.9 total cpu time spent up to now is 68.8 secs total energy = -64.48324878 Ry Harris-Foulkes estimate = -64.48326372 Ry estimated scf accuracy < 0.00003380 Ry iteration # 5 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.82E-07, avg # of iterations = 2.8 total cpu time spent up to now is 79.9 secs total energy = -64.48325531 Ry Harris-Foulkes estimate = -64.48325784 Ry estimated scf accuracy < 0.00000405 Ry iteration # 6 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 3.37E-08, avg # of iterations = 3.1 total cpu time spent up to now is 92.2 secs total energy = -64.48325706 Ry Harris-Foulkes estimate = -64.48325707 Ry estimated scf accuracy < 0.00000004 Ry iteration # 7 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 3.04E-10, avg # of iterations = 3.5 total cpu time spent up to now is 105.7 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 855 PWs) bands (ev): -25.5772 -25.5772 -11.4353 -11.4353 -6.7059 -6.7059 -4.0343 -4.0343 -4.0088 -4.0088 3.0262 3.0262 3.0579 3.0579 10.8899 10.8899 14.2233 14.2233 17.6238 17.6238 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.1440 ( 869 PWs) bands (ev): -25.5483 -25.5483 -11.4247 -11.4247 -6.6559 -6.6559 -4.1709 -4.1709 -4.0528 -4.0528 2.9171 2.9171 3.0038 3.0038 11.1581 11.1581 14.2197 14.2197 17.6291 17.6291 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.2880 ( 861 PWs) bands (ev): -25.4699 -25.4699 -11.3938 -11.3938 -6.5305 -6.5305 -4.5435 -4.5435 -4.1399 -4.1399 2.6069 2.6069 2.8924 2.8924 11.8474 11.8474 14.2013 14.2013 17.7549 17.7549 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.4320 ( 873 PWs) bands (ev): -25.3653 -25.3653 -11.3483 -11.3483 -6.3976 -6.3976 -4.9759 -4.9759 -4.2503 -4.2503 2.2282 2.2282 2.7516 2.7516 12.6311 12.6311 14.2350 14.2350 17.9656 17.9656 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.5760 ( 872 PWs) bands (ev): -25.2670 -25.2670 -11.3014 -11.3014 -6.3420 -6.3420 -5.2887 -5.2887 -4.3494 -4.3494 1.9088 1.9088 2.6250 2.6250 13.0656 13.0656 14.5602 14.5602 17.0715 17.0715 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.7201 ( 870 PWs) bands (ev): -25.2075 -25.2075 -11.2712 -11.2712 -6.3662 -6.3662 -5.4119 -5.4119 -4.4073 -4.4073 1.7316 1.7316 2.5509 2.5509 13.1416 13.1416 15.1339 15.1339 16.1362 16.1362 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0007 0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1308-0.0602 ( 869 PWs) bands (ev): -25.5483 -25.5483 -11.4247 -11.4247 -6.6559 -6.6559 -4.1709 -4.1709 -4.0528 -4.0528 2.9171 2.9171 3.0038 3.0038 11.1581 11.1581 14.2197 14.2197 17.6291 17.6291 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1308 0.0838 ( 861 PWs) bands (ev): -25.5461 -25.5461 -11.4673 -11.4673 -6.5937 -6.5937 -4.1579 -4.1579 -4.0700 -4.0700 2.8866 2.8866 3.0458 3.0458 11.1327 11.1327 14.2147 14.2147 17.3906 17.3906 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1308 0.2278 ( 862 PWs) bands (ev): -25.4906 -25.4906 -11.4796 -11.4796 -6.4565 -6.4565 -4.4087 -4.4087 -4.1429 -4.1429 2.6710 2.6710 2.9772 2.9772 11.5765 11.5765 14.2116 14.2116 17.3472 17.3472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1308 0.3718 ( 863 PWs) bands (ev): -25.3980 -25.3980 -11.4545 -11.4545 -6.3005 -6.3005 -4.8013 -4.8013 -4.2611 -4.2611 2.3703 2.3703 2.8125 2.8125 12.2523 12.2523 14.2940 14.2940 17.6065 17.6065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1308 0.5158 ( 869 PWs) bands (ev): -25.2966 -25.2966 -11.3984 -11.3984 -6.2085 -6.2085 -5.1671 -5.1671 -4.3856 -4.3856 2.0684 2.0684 2.6279 2.6279 12.7642 12.7642 14.6639 14.6639 17.4455 17.4455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1308 0.6598 ( 867 PWs) bands (ev): -25.2189 -25.2189 -11.3305 -11.3305 -6.2406 -6.2406 -5.3628 -5.3628 -4.4770 -4.4770 1.8383 1.8383 2.4914 2.4914 13.0031 13.0031 15.2973 15.2973 16.3348 16.3348 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0561 0.0561 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1308-0.7803 ( 865 PWs) bands (ev): -25.1913 -25.1913 -11.2756 -11.2756 -6.3274 -6.3274 -5.3890 -5.3890 -4.5142 -4.5142 1.7299 1.7299 2.4464 2.4464 13.1787 13.1787 15.3682 15.3682 16.0889 16.0889 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.6182 0.6182 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1308-0.6363 ( 872 PWs) bands (ev): -25.2235 -25.2235 -11.2524 -11.2524 -6.3835 -6.3835 -5.3000 -5.3000 -4.4896 -4.4896 1.7765 1.7765 2.5029 2.5029 13.3470 13.3470 14.6353 14.6353 16.9146 16.9146 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0248 0.0248 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1308-0.4923 ( 869 PWs) bands (ev): -25.3041 -25.3041 -11.2658 -11.2658 -6.4406 -6.4406 -5.0814 -5.0814 -4.4029 -4.4029 1.9862 1.9862 2.6381 2.6381 13.2162 13.2162 14.1522 14.1522 17.9387 17.9387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1308-0.3483 ( 859 PWs) bands (ev): -25.4060 -25.4060 -11.3083 -11.3083 -6.5346 -6.5346 -4.7449 -4.7449 -4.2721 -4.2721 2.3161 2.3161 2.8048 2.8048 12.4751 12.4751 14.1483 14.1483 18.2781 18.2782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1308-0.2042 ( 870 PWs) bands (ev): -25.4966 -25.4966 -11.3663 -11.3663 -6.6265 -6.6265 -4.3954 -4.3954 -4.1375 -4.1375 2.6687 2.6687 2.9429 2.9429 11.6655 11.6655 14.2061 14.2061 17.9195 17.9195 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2616-0.1205 ( 861 PWs) bands (ev): -25.4699 -25.4699 -11.3938 -11.3938 -6.5305 -6.5305 -4.5435 -4.5435 -4.1399 -4.1399 2.6069 2.6069 2.8924 2.8924 11.8474 11.8474 14.2013 14.2013 17.7549 17.7549 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2616 0.0235 ( 862 PWs) bands (ev): -25.4906 -25.4906 -11.4796 -11.4796 -6.4565 -6.4565 -4.4087 -4.4087 -4.1429 -4.1429 2.6710 2.6710 2.9772 2.9772 11.5765 11.5765 14.2116 14.2116 17.3472 17.3472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2616 0.1675 ( 863 PWs) bands (ev): -25.4619 -25.4619 -11.5377 -11.5377 -6.3263 -6.3263 -4.4784 -4.4784 -4.2038 -4.2038 2.4733 2.4733 3.0512 3.0512 11.7029 11.7029 14.2200 14.2200 17.1655 17.1655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1828 0.1828 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2616 0.3116 ( 866 PWs) bands (ev): -25.3924 -25.3924 -11.5486 -11.5486 -6.1839 -6.1839 -4.7059 -4.7059 -4.3279 -4.3279 2.2072 2.2072 2.9748 2.9748 12.1162 12.1162 14.3272 14.3272 17.3003 17.3003 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2616 0.4556 ( 864 PWs) bands (ev): -25.3030 -25.3030 -11.5086 -11.5086 -6.0815 -6.0815 -4.9735 -4.9735 -4.5082 -4.5082 1.9753 1.9753 2.7625 2.7625 12.5464 12.5464 14.7275 14.7275 17.7571 17.7571 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2616 0.5996 ( 867 PWs) bands (ev): -25.2218 -25.2218 -11.4307 -11.4307 -6.0527 -6.0527 -5.2256 -5.2256 -4.6496 -4.6496 1.8348 1.8348 2.4900 2.4900 12.8393 12.8393 15.4083 15.4083 16.8499 16.8499 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0619 0.0619 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2616-0.8405 ( 864 PWs) bands (ev): -25.1755 -25.1755 -11.3408 -11.3408 -6.1209 -6.1209 -5.3474 -5.3474 -4.7263 -4.7263 1.7887 1.7887 2.2698 2.2698 13.1024 13.1024 15.7138 15.7138 16.3655 16.3655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2616-0.6965 ( 864 PWs) bands (ev): -25.1799 -25.1799 -11.2679 -11.2679 -6.2630 -6.2630 -5.2637 -5.2637 -4.7588 -4.7588 1.7859 1.7859 2.2333 2.2333 13.4064 13.4064 15.0034 15.0034 17.0056 17.0056 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2616-0.5525 ( 864 PWs) bands (ev): -25.2334 -25.2334 -11.2344 -11.2344 -6.3937 -6.3937 -5.0768 -5.0768 -4.7092 -4.7092 1.8432 1.8432 2.3891 2.3891 13.7019 13.7019 14.2305 14.2305 17.7456 17.7456 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9909 0.9909 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2616-0.4085 ( 866 PWs) bands (ev): -25.3180 -25.3180 -11.2494 -11.2494 -6.4840 -6.4840 -4.9177 -4.9177 -4.5081 -4.5081 2.0277 2.0277 2.6159 2.6159 13.3036 13.3036 14.0156 14.0156 18.5733 18.5733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2616-0.2645 ( 859 PWs) bands (ev): -25.4060 -25.4060 -11.3083 -11.3083 -6.5346 -6.5346 -4.7449 -4.7449 -4.2721 -4.2721 2.3161 2.3161 2.8048 2.8048 12.4751 12.4751 14.1483 14.1483 18.2781 18.2782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3924-0.1807 ( 873 PWs) bands (ev): -25.3653 -25.3653 -11.3483 -11.3483 -6.3976 -6.3976 -4.9759 -4.9759 -4.2503 -4.2503 2.2282 2.2282 2.7516 2.7516 12.6311 12.6311 14.2350 14.2350 17.9656 17.9656 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3924-0.0367 ( 863 PWs) bands (ev): -25.3980 -25.3980 -11.4545 -11.4545 -6.3005 -6.3005 -4.8013 -4.8013 -4.2611 -4.2611 2.3703 2.3703 2.8125 2.8125 12.2523 12.2523 14.2940 14.2940 17.6065 17.6065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3924 0.1073 ( 866 PWs) bands (ev): -25.3924 -25.3924 -11.5486 -11.5486 -6.1839 -6.1839 -4.7059 -4.7059 -4.3279 -4.3279 2.2072 2.2072 2.9748 2.9748 12.1162 12.1162 14.3272 14.3272 17.3003 17.3003 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3924 0.2513 ( 861 PWs) bands (ev): -25.3501 -25.3501 -11.6006 -11.6006 -6.0892 -6.0892 -4.7779 -4.7779 -4.3734 -4.3734 1.9287 1.9287 3.0618 3.0618 12.2039 12.2039 14.3957 14.3957 17.2451 17.2451 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3924 0.3953 ( 867 PWs) bands (ev): -25.2841 -25.2841 -11.5953 -11.5953 -6.0370 -6.0370 -4.8666 -4.8666 -4.5352 -4.5352 1.6903 1.6903 2.9768 2.9768 12.4326 12.4326 14.6568 14.6568 17.4412 17.4412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3924 0.5393 ( 871 PWs) bands (ev): -25.2148 -25.2148 -11.5358 -11.5358 -5.9853 -5.9853 -5.0001 -5.0001 -4.7653 -4.7653 1.5710 1.5710 2.7304 2.7304 12.6895 12.6895 15.1693 15.1693 17.4071 17.4071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3924-0.9008 ( 871 PWs) bands (ev): -25.1646 -25.1646 -11.4411 -11.4411 -5.8923 -5.8923 -5.3281 -5.3281 -4.8432 -4.8432 1.6024 1.6024 2.3969 2.3969 12.9622 12.9622 15.5451 15.5451 17.1338 17.1338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9840 0.9840 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3924-0.7568 ( 871 PWs) bands (ev): -25.1500 -25.1500 -11.3398 -11.3398 -5.9675 -5.9675 -5.3975 -5.3975 -4.9052 -4.9052 1.7770 1.7770 2.0836 2.0836 13.2698 13.2698 15.3374 15.3374 17.3470 17.3470 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3924-0.6127 ( 876 PWs) bands (ev): -25.1758 -25.1758 -11.2627 -11.2627 -6.2263 -6.2263 -5.1001 -5.1001 -4.9838 -4.9838 1.8657 1.8657 2.0784 2.0784 13.5683 13.5683 14.8098 14.8098 17.5931 17.5931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3924-0.4687 ( 864 PWs) bands (ev): -25.2334 -25.2334 -11.2344 -11.2344 -6.3937 -6.3937 -5.0768 -5.0768 -4.7092 -4.7092 1.8432 1.8432 2.3891 2.3891 13.7019 13.7019 14.2305 14.2305 17.7456 17.7456 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9909 0.9909 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3924-0.3247 ( 869 PWs) bands (ev): -25.3041 -25.3041 -11.2658 -11.2658 -6.4406 -6.4406 -5.0814 -5.0814 -4.4029 -4.4029 1.9862 1.9862 2.6381 2.6381 13.2162 13.2162 14.1522 14.1522 17.9387 17.9387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5232-0.2409 ( 872 PWs) bands (ev): -25.2670 -25.2670 -11.3014 -11.3014 -6.3420 -6.3420 -5.2887 -5.2887 -4.3494 -4.3494 1.9088 1.9088 2.6250 2.6250 13.0656 13.0656 14.5602 14.5602 17.0715 17.0715 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5232-0.0969 ( 869 PWs) bands (ev): -25.2966 -25.2966 -11.3984 -11.3984 -6.2085 -6.2085 -5.1671 -5.1671 -4.3856 -4.3856 2.0684 2.0684 2.6279 2.6279 12.7642 12.7642 14.6639 14.6639 17.4455 17.4455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5232 0.0471 ( 864 PWs) bands (ev): -25.3030 -25.3030 -11.5086 -11.5086 -6.0815 -6.0815 -4.9735 -4.9735 -4.5082 -4.5082 1.9753 1.9753 2.7625 2.7625 12.5464 12.5464 14.7275 14.7275 17.7571 17.7572 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5232 0.1911 ( 867 PWs) bands (ev): -25.2841 -25.2841 -11.5953 -11.5953 -6.0370 -6.0370 -4.8666 -4.8666 -4.5352 -4.5352 1.6903 1.6903 2.9768 2.9768 12.4326 12.4326 14.6568 14.6568 17.4412 17.4412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5232 0.3351 ( 870 PWs) bands (ev): -25.2458 -25.2458 -11.6330 -11.6330 -6.0670 -6.0670 -4.8539 -4.8539 -4.5252 -4.5252 1.4287 1.4287 3.0737 3.0737 12.4527 12.4527 14.5744 14.5744 17.4122 17.4122 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5232 0.4791 ( 867 PWs) bands (ev): -25.2002 -25.2002 -11.6130 -11.6130 -6.0718 -6.0718 -4.8405 -4.8405 -4.6935 -4.6935 1.2920 1.2920 2.9793 2.9793 12.5957 12.5957 14.7167 14.7167 17.5766 17.5767 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5232-0.9610 ( 868 PWs) bands (ev): -25.1620 -25.1620 -11.5427 -11.5427 -5.9615 -5.9615 -5.0760 -5.0760 -4.8259 -4.8259 1.3190 1.3190 2.7122 2.7122 12.8044 12.8044 15.0891 15.0891 17.6903 17.6903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5232-0.8170 ( 870 PWs) bands (ev): -25.1433 -25.1433 -11.4420 -11.4420 -5.7208 -5.7208 -5.5294 -5.5294 -4.8654 -4.8654 1.5048 1.5048 2.3643 2.3643 13.0441 13.0441 15.3708 15.3708 17.6433 17.6433 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9985 0.9985 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5232-0.6730 ( 871 PWs) bands (ev): -25.1500 -25.1500 -11.3398 -11.3398 -5.9675 -5.9675 -5.3975 -5.3975 -4.9052 -4.9052 1.7770 1.7770 2.0836 2.0836 13.2698 13.2698 15.3374 15.3374 17.3470 17.3470 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5232-0.5290 ( 864 PWs) bands (ev): -25.1799 -25.1799 -11.2679 -11.2679 -6.2630 -6.2630 -5.2637 -5.2637 -4.7588 -4.7588 1.7859 1.7859 2.2333 2.2333 13.4064 13.4064 15.0034 15.0034 17.0056 17.0056 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5232-0.3850 ( 872 PWs) bands (ev): -25.2235 -25.2235 -11.2524 -11.2524 -6.3835 -6.3835 -5.3000 -5.3000 -4.4896 -4.4896 1.7765 1.7765 2.5029 2.5029 13.3470 13.3470 14.6353 14.6353 16.9146 16.9146 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0248 0.0248 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6540-0.3012 ( 870 PWs) bands (ev): -25.2075 -25.2075 -11.2712 -11.2712 -6.3662 -6.3662 -5.4119 -5.4119 -4.4073 -4.4073 1.7316 1.7316 2.5509 2.5509 13.1416 13.1416 15.1339 15.1339 16.1362 16.1362 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0007 0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6540-0.1572 ( 867 PWs) bands (ev): -25.2189 -25.2189 -11.3305 -11.3305 -6.2406 -6.2406 -5.3628 -5.3628 -4.4770 -4.4770 1.8383 1.8383 2.4914 2.4914 13.0031 13.0031 15.2973 15.2973 16.3348 16.3348 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0561 0.0561 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6540-0.0132 ( 867 PWs) bands (ev): -25.2218 -25.2218 -11.4307 -11.4307 -6.0527 -6.0527 -5.2256 -5.2256 -4.6496 -4.6496 1.8348 1.8348 2.4900 2.4900 12.8393 12.8393 15.4083 15.4083 16.8499 16.8499 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0619 0.0619 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6540 0.1309 ( 871 PWs) bands (ev): -25.2148 -25.2148 -11.5358 -11.5358 -5.9853 -5.9853 -5.0001 -5.0001 -4.7653 -4.7653 1.5710 1.5710 2.7304 2.7304 12.6895 12.6895 15.1693 15.1693 17.4071 17.4071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6540 0.2749 ( 867 PWs) bands (ev): -25.2002 -25.2002 -11.6130 -11.6130 -6.0718 -6.0718 -4.8405 -4.8405 -4.6935 -4.6935 1.2920 1.2920 2.9793 2.9793 12.5957 12.5957 14.7167 14.7167 17.5766 17.5766 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6540 0.4189 ( 872 PWs) bands (ev): -25.1830 -25.1830 -11.6417 -11.6417 -6.1505 -6.1505 -4.8031 -4.8031 -4.6137 -4.6137 1.1338 1.1338 3.0818 3.0818 12.5974 12.5974 14.4325 14.4325 17.7438 17.7439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6540-1.0212 ( 864 PWs) bands (ev): -25.1687 -25.1687 -11.6159 -11.6159 -6.1125 -6.1125 -4.8036 -4.8036 -4.7521 -4.7521 1.1436 1.1436 2.9802 2.9802 12.6758 12.6758 14.5936 14.5936 17.9459 17.9459 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6540-0.8772 ( 868 PWs) bands (ev): -25.1620 -25.1620 -11.5427 -11.5427 -5.9615 -5.9615 -5.0760 -5.0760 -4.8259 -4.8259 1.3190 1.3190 2.7122 2.7122 12.8044 12.8044 15.0891 15.0891 17.6903 17.6903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6540-0.7332 ( 871 PWs) bands (ev): -25.1646 -25.1646 -11.4411 -11.4411 -5.8923 -5.8923 -5.3281 -5.3281 -4.8432 -4.8432 1.6024 1.6024 2.3969 2.3969 12.9622 12.9622 15.5451 15.5451 17.1338 17.1338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9840 0.9840 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6540-0.5892 ( 864 PWs) bands (ev): -25.1755 -25.1755 -11.3408 -11.3408 -6.1209 -6.1209 -5.3474 -5.3474 -4.7263 -4.7263 1.7887 1.7887 2.2698 2.2698 13.1024 13.1024 15.7138 15.7138 16.3655 16.3655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6540-0.4452 ( 865 PWs) bands (ev): -25.1913 -25.1913 -11.2756 -11.2756 -6.3274 -6.3274 -5.3890 -5.3890 -4.5142 -4.5142 1.7299 1.7299 2.4464 2.4464 13.1787 13.1787 15.3682 15.3682 16.0889 16.0889 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.6182 0.6182 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0941-0.0602 ( 869 PWs) bands (ev): -25.5483 -25.5483 -11.4247 -11.4247 -6.6559 -6.6559 -4.1709 -4.1709 -4.0528 -4.0528 2.9171 2.9171 3.0038 3.0038 11.1581 11.1581 14.2197 14.2197 17.6291 17.6291 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0941 0.0838 ( 861 PWs) bands (ev): -25.5461 -25.5461 -11.4673 -11.4673 -6.5937 -6.5937 -4.1579 -4.1579 -4.0700 -4.0700 2.8866 2.8866 3.0458 3.0458 11.1327 11.1327 14.2147 14.2147 17.3905 17.3906 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0941 0.2278 ( 862 PWs) bands (ev): -25.4906 -25.4906 -11.4796 -11.4796 -6.4565 -6.4565 -4.4087 -4.4087 -4.1429 -4.1429 2.6710 2.6710 2.9772 2.9772 11.5765 11.5765 14.2116 14.2116 17.3472 17.3472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0941 0.3718 ( 863 PWs) bands (ev): -25.3980 -25.3980 -11.4545 -11.4545 -6.3005 -6.3005 -4.8013 -4.8013 -4.2611 -4.2611 2.3703 2.3703 2.8125 2.8125 12.2523 12.2523 14.2940 14.2940 17.6065 17.6065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0941 0.5158 ( 869 PWs) bands (ev): -25.2966 -25.2966 -11.3984 -11.3984 -6.2085 -6.2085 -5.1671 -5.1671 -4.3856 -4.3856 2.0684 2.0684 2.6279 2.6279 12.7642 12.7642 14.6639 14.6639 17.4455 17.4455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0941 0.6598 ( 867 PWs) bands (ev): -25.2189 -25.2189 -11.3305 -11.3305 -6.2406 -6.2406 -5.3628 -5.3628 -4.4770 -4.4770 1.8383 1.8383 2.4914 2.4914 13.0031 13.0031 15.2973 15.2973 16.3348 16.3348 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0561 0.0561 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0941-0.7803 ( 865 PWs) bands (ev): -25.1913 -25.1913 -11.2756 -11.2756 -6.3274 -6.3274 -5.3890 -5.3890 -4.5142 -4.5142 1.7299 1.7299 2.4464 2.4464 13.1787 13.1787 15.3682 15.3682 16.0889 16.0889 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.6182 0.6182 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0941-0.6363 ( 872 PWs) bands (ev): -25.2235 -25.2235 -11.2524 -11.2524 -6.3835 -6.3835 -5.3000 -5.3000 -4.4896 -4.4896 1.7765 1.7765 2.5029 2.5029 13.3470 13.3470 14.6353 14.6353 16.9146 16.9146 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0248 0.0248 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0941-0.4923 ( 869 PWs) bands (ev): -25.3041 -25.3041 -11.2658 -11.2658 -6.4406 -6.4406 -5.0814 -5.0814 -4.4029 -4.4029 1.9862 1.9862 2.6381 2.6381 13.2162 13.2162 14.1522 14.1522 17.9387 17.9387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0941-0.3483 ( 859 PWs) bands (ev): -25.4060 -25.4060 -11.3083 -11.3083 -6.5346 -6.5346 -4.7449 -4.7449 -4.2721 -4.2721 2.3161 2.3161 2.8048 2.8048 12.4751 12.4751 14.1483 14.1483 18.2781 18.2781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0941-0.2042 ( 870 PWs) bands (ev): -25.4966 -25.4966 -11.3663 -11.3663 -6.6265 -6.6265 -4.3954 -4.3954 -4.1375 -4.1375 2.6687 2.6687 2.9429 2.9429 11.6655 11.6655 14.2061 14.2061 17.9195 17.9195 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0368-0.1205 ( 861 PWs) bands (ev): -25.5461 -25.5461 -11.4673 -11.4673 -6.5937 -6.5937 -4.1579 -4.1579 -4.0700 -4.0700 2.8866 2.8866 3.0458 3.0458 11.1327 11.1327 14.2147 14.2147 17.3905 17.3905 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0368 0.0235 ( 869 PWs) bands (ev): -25.5705 -25.5705 -11.5632 -11.5632 -6.5165 -6.5165 -4.0425 -4.0425 -4.0171 -4.0171 3.0459 3.0459 3.0776 3.0776 10.8281 10.8281 14.1797 14.1797 16.9503 16.9503 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0368 0.1675 ( 859 PWs) bands (ev): -25.5377 -25.5377 -11.6189 -11.6189 -6.3628 -6.3628 -4.2000 -4.2000 -4.0533 -4.0533 2.9744 2.9744 3.0102 3.0102 11.0501 11.0501 14.1369 14.1369 16.7718 16.7718 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0368 0.3116 ( 860 PWs) bands (ev): -25.4574 -25.4574 -11.6157 -11.6157 -6.1813 -6.1813 -4.5981 -4.5981 -4.1364 -4.1364 2.6983 2.6983 2.8835 2.8835 11.6529 11.6529 14.1755 14.1755 16.9306 16.9306 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0368 0.4556 ( 871 PWs) bands (ev): -25.3533 -25.3533 -11.5532 -11.5532 -6.0630 -6.0630 -5.0411 -5.0411 -4.2484 -4.2484 2.3178 2.3178 2.7461 2.7461 12.2786 12.2786 14.4932 14.4932 17.2556 17.2556 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0368 0.5996 ( 876 PWs) bands (ev): -25.2581 -25.2581 -11.4508 -11.4508 -6.1347 -6.1347 -5.2923 -5.2923 -4.3537 -4.3537 1.9539 1.9539 2.6348 2.6348 12.6963 12.6963 15.1111 15.1111 16.5250 16.5250 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0368-0.8405 ( 873 PWs) bands (ev): -25.2032 -25.2032 -11.3423 -11.3423 -6.3289 -6.3289 -5.3293 -5.3293 -4.4204 -4.4204 1.6995 1.6995 2.5826 2.5826 13.0334 13.0334 15.3355 15.3355 15.9918 15.9918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0368-0.6965 ( 876 PWs) bands (ev): -25.2078 -25.2078 -11.2640 -11.2640 -6.4513 -6.4513 -5.2900 -5.2900 -4.4291 -4.4291 1.6248 1.6248 2.6042 2.6042 13.3887 13.3887 14.5687 14.5687 16.6680 16.6680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0368-0.5525 ( 874 PWs) bands (ev): -25.2702 -25.2702 -11.2406 -11.2406 -6.4930 -6.4930 -5.1642 -5.1642 -4.3771 -4.3771 1.7661 1.7661 2.6934 2.6934 13.5649 13.5649 13.9466 13.9466 17.5172 17.5172 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0368-0.4085 ( 867 PWs) bands (ev): -25.3690 -25.3690 -11.2774 -11.2774 -6.5347 -6.5347 -4.8864 -4.8864 -4.2794 -4.2794 2.0982 2.0982 2.8236 2.8236 12.7932 12.7932 14.0857 14.0857 18.2620 18.2620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0368-0.2645 ( 866 PWs) bands (ev): -25.4716 -25.4716 -11.3614 -11.3614 -6.5870 -6.5870 -4.4983 -4.4983 -4.1652 -4.1652 2.5211 2.5211 2.9550 2.9550 11.8695 11.8695 14.2020 14.2020 17.9259 17.9259 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0066 0.0066 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1676-0.1807 ( 862 PWs) bands (ev): -25.4906 -25.4906 -11.4796 -11.4796 -6.4565 -6.4565 -4.4087 -4.4087 -4.1429 -4.1429 2.6710 2.6710 2.9772 2.9772 11.5765 11.5765 14.2116 14.2116 17.3472 17.3472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1676-0.0367 ( 859 PWs) bands (ev): -25.5377 -25.5377 -11.6189 -11.6189 -6.3628 -6.3628 -4.2000 -4.2000 -4.0533 -4.0533 2.9744 2.9744 3.0102 3.0102 11.0501 11.0501 14.1369 14.1369 16.7718 16.7718 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1676 0.1073 ( 858 PWs) bands (ev): -25.5317 -25.5317 -11.7209 -11.7209 -6.2066 -6.2066 -4.1654 -4.1654 -4.0990 -4.0990 2.8969 2.8969 3.1181 3.1181 10.9907 10.9907 14.0344 14.0344 16.4993 16.4993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1676 0.2513 ( 863 PWs) bands (ev): -25.4743 -25.4743 -11.7545 -11.7545 -6.0252 -6.0252 -4.4397 -4.4397 -4.1603 -4.1603 2.6894 2.6894 3.0528 3.0528 11.3713 11.3713 14.0196 14.0196 16.5802 16.5802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1676 0.3953 ( 864 PWs) bands (ev): -25.3824 -25.3824 -11.7097 -11.7097 -5.8916 -5.8916 -4.8432 -4.8432 -4.2729 -4.2729 2.3978 2.3978 2.8739 2.8739 11.9348 11.9348 14.3131 14.3131 16.9209 16.9209 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9829 0.9829 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1676 0.5393 ( 876 PWs) bands (ev): -25.2840 -25.2840 -11.5997 -11.5997 -5.9312 -5.9312 -5.1453 -5.1453 -4.4010 -4.4010 2.0683 2.0683 2.6851 2.6851 12.4111 12.4111 15.0048 15.0048 16.8726 16.8726 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1676-0.9008 ( 869 PWs) bands (ev): -25.2109 -25.2109 -11.4578 -11.4578 -6.1611 -6.1611 -5.2241 -5.2241 -4.5029 -4.5029 1.7712 1.7712 2.5621 2.5621 12.8266 12.8266 15.7581 15.7581 15.8980 15.8980 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1676-0.7568 ( 867 PWs) bands (ev): -25.1879 -25.1879 -11.3293 -11.3293 -6.3670 -6.3670 -5.2073 -5.2073 -4.5535 -4.5535 1.5960 1.5960 2.5348 2.5348 13.2658 13.2658 14.9215 14.9215 16.5894 16.5894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0024 0.0024 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1676-0.6127 ( 869 PWs) bands (ev): -25.2230 -25.2230 -11.2563 -11.2563 -6.4615 -6.4615 -5.1385 -5.1385 -4.5367 -4.5367 1.6188 1.6188 2.5991 2.5991 13.6830 13.6830 14.1547 14.1547 17.2993 17.2993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1676-0.4687 ( 862 PWs) bands (ev): -25.3041 -25.3041 -11.2630 -11.2630 -6.4854 -6.4854 -4.9788 -4.9788 -4.4448 -4.4448 1.8574 1.8574 2.7265 2.7265 13.2969 13.2969 14.0490 14.0490 18.0538 18.0538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1676-0.3247 ( 863 PWs) bands (ev): -25.4040 -25.4040 -11.3466 -11.3466 -6.4874 -6.4874 -4.7095 -4.7095 -4.2976 -4.2976 2.2494 2.2494 2.8708 2.8708 12.4055 12.4055 14.2018 14.2018 18.0542 18.0542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2984-0.2409 ( 863 PWs) bands (ev): -25.3980 -25.3980 -11.4545 -11.4545 -6.3005 -6.3005 -4.8013 -4.8013 -4.2611 -4.2611 2.3703 2.3703 2.8125 2.8125 12.2523 12.2523 14.2940 14.2940 17.6065 17.6065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2984-0.0969 ( 860 PWs) bands (ev): -25.4574 -25.4574 -11.6157 -11.6157 -6.1813 -6.1813 -4.5981 -4.5981 -4.1364 -4.1364 2.6983 2.6983 2.8835 2.8835 11.6529 11.6529 14.1755 14.1755 16.9306 16.9306 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2984 0.0471 ( 863 PWs) bands (ev): -25.4743 -25.4743 -11.7545 -11.7545 -6.0252 -6.0252 -4.4397 -4.4397 -4.1603 -4.1603 2.6894 2.6894 3.0528 3.0528 11.3713 11.3713 14.0196 14.0196 16.5802 16.5802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2984 0.1911 ( 859 PWs) bands (ev): -25.4438 -25.4438 -11.8292 -11.8292 -5.8655 -5.8655 -4.4852 -4.4852 -4.2430 -4.2430 2.4733 2.4733 3.1504 3.1504 11.4588 11.4588 13.9431 13.9431 16.5706 16.5706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1831 0.1831 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2984 0.3351 ( 860 PWs) bands (ev): -25.3749 -25.3749 -11.8190 -11.8190 -5.7594 -5.7594 -4.7109 -4.7109 -4.3594 -4.3594 2.2034 2.2034 3.0700 3.0700 11.8061 11.8061 14.1585 14.1585 16.8254 16.8254 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2984 0.4791 ( 869 PWs) bands (ev): -25.2886 -25.2886 -11.7274 -11.7274 -5.7728 -5.7728 -4.9410 -4.9410 -4.5320 -4.5320 1.9524 1.9524 2.8472 2.8472 12.2188 12.2188 14.8064 14.8064 17.1369 17.1369 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2984-0.9610 ( 866 PWs) bands (ev): -25.2118 -25.2118 -11.5810 -11.5810 -5.9175 -5.9175 -5.1069 -5.1069 -4.6766 -4.6766 1.7603 1.7603 2.5799 2.5799 12.6372 12.6372 15.6271 15.6271 16.5186 16.5186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2984-0.8170 ( 863 PWs) bands (ev): -25.1700 -25.1700 -11.4237 -11.4237 -6.1198 -6.1198 -5.1611 -5.1611 -4.7744 -4.7744 1.6390 1.6390 2.3944 2.3944 13.0779 13.0779 15.4264 15.4264 16.7124 16.7124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9867 0.9867 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2984-0.6730 ( 861 PWs) bands (ev): -25.1774 -25.1774 -11.3057 -11.3057 -6.2886 -6.2886 -5.0795 -5.0795 -4.8428 -4.8428 1.6139 1.6139 2.3705 2.3705 13.4633 13.4633 14.8133 14.8133 17.2677 17.2677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2984-0.5290 ( 869 PWs) bands (ev): -25.2314 -25.2314 -11.2675 -11.2675 -6.3719 -6.3719 -4.9878 -4.9878 -4.7647 -4.7647 1.7343 1.7343 2.4870 2.4870 13.5216 13.5216 14.4050 14.4050 17.7363 17.7363 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0756 0.0756 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2984-0.3850 ( 863 PWs) bands (ev): -25.3140 -25.3140 -11.3234 -11.3234 -6.3688 -6.3688 -4.9400 -4.9400 -4.5046 -4.5046 2.0073 2.0073 2.6646 2.6646 12.9850 12.9850 14.3393 14.3393 18.3269 18.3269 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4292-0.3012 ( 869 PWs) bands (ev): -25.2966 -25.2966 -11.3984 -11.3984 -6.2085 -6.2085 -5.1671 -5.1671 -4.3856 -4.3856 2.0684 2.0684 2.6279 2.6279 12.7642 12.7642 14.6639 14.6639 17.4455 17.4455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4292-0.1572 ( 871 PWs) bands (ev): -25.3533 -25.3533 -11.5532 -11.5532 -6.0630 -6.0630 -5.0411 -5.0411 -4.2484 -4.2484 2.3178 2.3178 2.7461 2.7461 12.2786 12.2786 14.4932 14.4932 17.2556 17.2556 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4292-0.0132 ( 864 PWs) bands (ev): -25.3824 -25.3824 -11.7097 -11.7097 -5.8916 -5.8916 -4.8432 -4.8432 -4.2729 -4.2729 2.3978 2.3978 2.8739 2.8739 11.9348 11.9348 14.3131 14.3131 16.9209 16.9209 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9829 0.9829 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4292 0.1309 ( 860 PWs) bands (ev): -25.3749 -25.3749 -11.8190 -11.8190 -5.7594 -5.7594 -4.7109 -4.7109 -4.3594 -4.3594 2.2034 2.2034 3.0700 3.0700 11.8061 11.8061 14.1585 14.1585 16.8254 16.8254 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4292 0.2749 ( 863 PWs) bands (ev): -25.3333 -25.3333 -11.8501 -11.8501 -5.7237 -5.7237 -4.7450 -4.7450 -4.4083 -4.4083 1.9242 1.9242 3.1523 3.1523 11.8962 11.8962 14.1791 14.1791 16.9658 16.9658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4292 0.4189 ( 868 PWs) bands (ev): -25.2703 -25.2703 -11.7958 -11.7958 -5.7825 -5.7825 -4.7977 -4.7977 -4.5640 -4.5640 1.6812 1.6812 3.0494 3.0494 12.1548 12.1548 14.5375 14.5375 17.2372 17.2372 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4292-1.0212 ( 862 PWs) bands (ev): -25.2054 -25.2054 -11.6722 -11.6722 -5.8408 -5.8408 -4.9467 -4.9467 -4.7579 -4.7579 1.5427 1.5427 2.7852 2.7852 12.5093 12.5093 15.1591 15.1591 17.1690 17.1690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4292-0.8772 ( 876 PWs) bands (ev): -25.1596 -25.1596 -11.5147 -11.5147 -5.8468 -5.8468 -5.2753 -5.2753 -4.8235 -4.8235 1.5383 1.5383 2.4558 2.4558 12.9014 12.9014 15.4954 15.4954 17.1171 17.1171 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4476 0.4476 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4292-0.7332 ( 867 PWs) bands (ev): -25.1479 -25.1479 -11.3711 -11.3711 -5.9606 -5.9606 -5.3558 -5.3558 -4.9000 -4.9000 1.6513 1.6513 2.1991 2.1991 13.2383 13.2383 15.3425 15.3425 17.3176 17.3176 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4292-0.5892 ( 867 PWs) bands (ev): -25.1742 -25.1742 -11.2888 -11.2888 -6.1664 -6.1664 -5.1999 -5.1999 -4.9097 -4.9097 1.7732 1.7732 2.1839 2.1839 13.3777 13.3777 15.0960 15.0960 17.3083 17.3083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4292-0.4452 ( 867 PWs) bands (ev): -25.2298 -25.2298 -11.2985 -11.2985 -6.2585 -6.2585 -5.1886 -5.1886 -4.6592 -4.6592 1.8734 1.8734 2.4052 2.4052 13.2041 13.2041 14.8609 14.8609 17.3125 17.3125 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9710 0.9710 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5600-0.3614 ( 867 PWs) bands (ev): -25.2189 -25.2189 -11.3305 -11.3305 -6.2406 -6.2406 -5.3628 -5.3628 -4.4770 -4.4770 1.8383 1.8383 2.4914 2.4914 13.0031 13.0031 15.2973 15.2973 16.3348 16.3348 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0561 0.0561 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5600-0.2174 ( 876 PWs) bands (ev): -25.2581 -25.2581 -11.4508 -11.4508 -6.1347 -6.1347 -5.2923 -5.2923 -4.3537 -4.3537 1.9539 1.9539 2.6348 2.6348 12.6963 12.6963 15.1111 15.1111 16.5250 16.5250 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5600-0.0734 ( 876 PWs) bands (ev): -25.2840 -25.2840 -11.5997 -11.5997 -5.9312 -5.9312 -5.1453 -5.1453 -4.4010 -4.4010 2.0683 2.0683 2.6851 2.6851 12.4111 12.4111 15.0048 15.0048 16.8725 16.8726 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5600 0.0706 ( 869 PWs) bands (ev): -25.2886 -25.2886 -11.7274 -11.7274 -5.7728 -5.7728 -4.9410 -4.9410 -4.5320 -4.5320 1.9524 1.9524 2.8472 2.8472 12.2188 12.2188 14.8064 14.8064 17.1369 17.1369 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5600 0.2146 ( 868 PWs) bands (ev): -25.2703 -25.2703 -11.7958 -11.7958 -5.7825 -5.7825 -4.7977 -4.7977 -4.5640 -4.5640 1.6812 1.6812 3.0494 3.0494 12.1548 12.1548 14.5375 14.5375 17.2372 17.2372 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5600 0.3586 ( 874 PWs) bands (ev): -25.2349 -25.2349 -11.7873 -11.7873 -5.9084 -5.9084 -4.7655 -4.7655 -4.5439 -4.5439 1.4299 1.4299 3.1231 3.1231 12.2513 12.2513 14.4235 14.4235 17.3629 17.3629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5600-1.0815 ( 869 PWs) bands (ev): -25.1936 -25.1936 -11.7060 -11.7060 -5.9957 -5.9957 -4.7658 -4.7658 -4.7042 -4.7042 1.2935 1.2935 3.0007 3.0007 12.4882 12.4882 14.6522 14.6522 17.3797 17.3797 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5600-0.9375 ( 872 PWs) bands (ev): -25.1598 -25.1598 -11.5750 -11.5750 -5.9516 -5.9516 -5.0649 -5.0649 -4.7939 -4.7939 1.3171 1.3171 2.7120 2.7120 12.7865 12.7865 15.1185 15.1185 17.3306 17.3306 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5600-0.7935 ( 868 PWs) bands (ev): -25.1439 -25.1439 -11.4321 -11.4321 -5.7752 -5.7752 -5.4975 -5.4975 -4.8540 -4.8540 1.5079 1.5079 2.3550 2.3550 13.0571 13.0571 15.4737 15.4737 17.2734 17.2734 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9993 0.9993 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5600-0.6494 ( 862 PWs) bands (ev): -25.1512 -25.1512 -11.3214 -11.3214 -5.9203 -5.9203 -5.5100 -5.5100 -4.8721 -4.8721 1.8282 1.8282 2.0436 2.0436 13.2139 13.2139 15.6153 15.6153 16.9059 16.9059 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5600-0.5054 ( 861 PWs) bands (ev): -25.1791 -25.1791 -11.2820 -11.2820 -6.1721 -6.1721 -5.3928 -5.3928 -4.7159 -4.7159 1.8579 1.8579 2.1962 2.1962 13.1997 13.1997 15.5665 15.5665 16.4305 16.4305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7481 0.2409 ( 865 PWs) bands (ev): -25.1913 -25.1913 -11.2756 -11.2756 -6.3274 -6.3274 -5.3890 -5.3890 -4.5142 -4.5142 1.7299 1.7299 2.4464 2.4464 13.1787 13.1787 15.3682 15.3682 16.0889 16.0889 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.6182 0.6182 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7481 0.3850 ( 873 PWs) bands (ev): -25.2032 -25.2032 -11.3423 -11.3423 -6.3289 -6.3289 -5.3293 -5.3293 -4.4204 -4.4204 1.6995 1.6995 2.5826 2.5826 13.0334 13.0334 15.3355 15.3355 15.9918 15.9918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7481 0.5290 ( 869 PWs) bands (ev): -25.2109 -25.2109 -11.4578 -11.4578 -6.1611 -6.1611 -5.2241 -5.2241 -4.5029 -4.5029 1.7712 1.7712 2.5621 2.5621 12.8266 12.8266 15.7581 15.7581 15.8980 15.8980 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7481 0.6730 ( 866 PWs) bands (ev): -25.2118 -25.2118 -11.5810 -11.5810 -5.9175 -5.9175 -5.1069 -5.1069 -4.6766 -4.6766 1.7603 1.7603 2.5799 2.5799 12.6372 12.6372 15.6271 15.6271 16.5186 16.5186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7481 0.8170 ( 862 PWs) bands (ev): -25.2054 -25.2054 -11.6722 -11.6722 -5.8408 -5.8408 -4.9467 -4.9467 -4.7579 -4.7579 1.5427 1.5427 2.7852 2.7852 12.5093 12.5093 15.1591 15.1591 17.1690 17.1690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7481 0.9610 ( 869 PWs) bands (ev): -25.1936 -25.1936 -11.7060 -11.7060 -5.9957 -5.9957 -4.7658 -4.7658 -4.7042 -4.7042 1.2935 1.2935 3.0007 3.0007 12.4882 12.4882 14.6522 14.6522 17.3796 17.3797 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7481-0.4791 ( 870 PWs) bands (ev): -25.1805 -25.1805 -11.6749 -11.6749 -6.1432 -6.1432 -4.7616 -4.7616 -4.6096 -4.6096 1.1480 1.1480 3.0704 3.0704 12.5856 12.5856 14.4398 14.4398 17.3438 17.3438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7481-0.3351 ( 869 PWs) bands (ev): -25.1706 -25.1706 -11.5889 -11.5889 -6.1654 -6.1654 -4.7992 -4.7992 -4.7378 -4.7378 1.1652 1.1652 2.9399 2.9399 12.7531 12.7531 14.6905 14.6905 17.2560 17.2560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7481-0.1911 ( 869 PWs) bands (ev): -25.1668 -25.1668 -11.4715 -11.4715 -6.0738 -6.0738 -5.0377 -5.0377 -4.8513 -4.8513 1.3552 1.3552 2.6511 2.6511 12.9450 12.9450 15.1782 15.1782 17.2038 17.2038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7481-0.0471 ( 865 PWs) bands (ev): -25.1700 -25.1700 -11.3567 -11.3567 -6.0218 -6.0218 -5.3097 -5.3097 -4.8534 -4.8534 1.6698 1.6698 2.3136 2.3136 13.1110 13.1110 15.5111 15.5111 16.9739 16.9739 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7481 0.0969 ( 861 PWs) bands (ev): -25.1791 -25.1791 -11.2820 -11.2820 -6.1721 -6.1721 -5.3928 -5.3928 -4.7159 -4.7159 1.8579 1.8579 2.1962 2.1962 13.1997 13.1997 15.5665 15.5665 16.4305 16.4305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6173 0.1807 ( 872 PWs) bands (ev): -25.2235 -25.2235 -11.2524 -11.2524 -6.3835 -6.3835 -5.3000 -5.3000 -4.4896 -4.4896 1.7765 1.7765 2.5029 2.5029 13.3470 13.3470 14.6353 14.6353 16.9146 16.9146 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0248 0.0248 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6173 0.3247 ( 876 PWs) bands (ev): -25.2078 -25.2078 -11.2640 -11.2640 -6.4513 -6.4513 -5.2900 -5.2900 -4.4291 -4.4291 1.6248 1.6248 2.6042 2.6042 13.3887 13.3887 14.5687 14.5687 16.6680 16.6680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6173 0.4687 ( 867 PWs) bands (ev): -25.1879 -25.1879 -11.3293 -11.3293 -6.3670 -6.3670 -5.2073 -5.2073 -4.5535 -4.5535 1.5960 1.5960 2.5348 2.5348 13.2658 13.2658 14.9215 14.9215 16.5894 16.5894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0024 0.0024 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6173 0.6127 ( 863 PWs) bands (ev): -25.1700 -25.1700 -11.4237 -11.4237 -6.1198 -6.1198 -5.1611 -5.1611 -4.7744 -4.7744 1.6390 1.6390 2.3944 2.3944 13.0779 13.0779 15.4264 15.4264 16.7124 16.7124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9867 0.9867 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6173 0.7568 ( 876 PWs) bands (ev): -25.1596 -25.1596 -11.5147 -11.5147 -5.8468 -5.8468 -5.2753 -5.2753 -4.8235 -4.8235 1.5383 1.5383 2.4558 2.4558 12.9014 12.9014 15.4954 15.4954 17.1171 17.1171 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4476 0.4476 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6173 0.9008 ( 872 PWs) bands (ev): -25.1598 -25.1598 -11.5750 -11.5750 -5.9516 -5.9516 -5.0649 -5.0649 -4.7939 -4.7939 1.3171 1.3171 2.7120 2.7120 12.7865 12.7865 15.1185 15.1185 17.3306 17.3306 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6173-0.5393 ( 869 PWs) bands (ev): -25.1706 -25.1706 -11.5889 -11.5889 -6.1654 -6.1654 -4.7992 -4.7992 -4.7378 -4.7378 1.1652 1.1652 2.9399 2.9399 12.7531 12.7531 14.6905 14.6905 17.2560 17.2560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6173-0.3953 ( 867 PWs) bands (ev): -25.1890 -25.1890 -11.5535 -11.5535 -6.2615 -6.2615 -4.8417 -4.8417 -4.5868 -4.5868 1.1664 1.1664 3.0096 3.0096 12.7780 12.7780 14.5773 14.5773 17.1483 17.1483 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6173-0.2513 ( 864 PWs) bands (ev): -25.2092 -25.2092 -11.4784 -11.4784 -6.2425 -6.2425 -4.8949 -4.8949 -4.6580 -4.6580 1.3368 1.3368 2.8853 2.8853 12.8704 12.8704 14.7712 14.7712 17.1997 17.1997 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6173-0.1073 ( 868 PWs) bands (ev): -25.2245 -25.2245 -11.3838 -11.3838 -6.2046 -6.2046 -4.9881 -4.9881 -4.7706 -4.7706 1.6300 1.6300 2.6237 2.6237 13.0307 13.0307 14.9342 14.9342 17.4350 17.4350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6173 0.0367 ( 867 PWs) bands (ev): -25.2298 -25.2298 -11.2985 -11.2985 -6.2585 -6.2585 -5.1886 -5.1886 -4.6592 -4.6592 1.8734 1.8734 2.4052 2.4052 13.2041 13.2041 14.8609 14.8609 17.3125 17.3125 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9710 0.9710 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4865 0.1205 ( 869 PWs) bands (ev): -25.3041 -25.3041 -11.2658 -11.2658 -6.4406 -6.4406 -5.0814 -5.0814 -4.4029 -4.4029 1.9862 1.9862 2.6381 2.6381 13.2162 13.2162 14.1522 14.1522 17.9387 17.9387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4865 0.2645 ( 874 PWs) bands (ev): -25.2702 -25.2702 -11.2406 -11.2406 -6.4930 -6.4930 -5.1642 -5.1642 -4.3771 -4.3771 1.7661 1.7661 2.6934 2.6934 13.5649 13.5649 13.9466 13.9466 17.5172 17.5172 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4865 0.4085 ( 869 PWs) bands (ev): -25.2230 -25.2230 -11.2563 -11.2563 -6.4615 -6.4615 -5.1385 -5.1385 -4.5367 -4.5367 1.6188 1.6188 2.5991 2.5991 13.6830 13.6830 14.1547 14.1547 17.2993 17.2993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4865 0.5525 ( 861 PWs) bands (ev): -25.1774 -25.1774 -11.3057 -11.3057 -6.2886 -6.2886 -5.0795 -5.0795 -4.8428 -4.8428 1.6139 1.6139 2.3705 2.3705 13.4633 13.4633 14.8133 14.8133 17.2677 17.2677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4865 0.6965 ( 867 PWs) bands (ev): -25.1479 -25.1479 -11.3711 -11.3711 -5.9606 -5.9606 -5.3558 -5.3558 -4.9000 -4.9000 1.6513 1.6513 2.1991 2.1991 13.2383 13.2383 15.3425 15.3425 17.3176 17.3176 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4865 0.8405 ( 868 PWs) bands (ev): -25.1439 -25.1439 -11.4321 -11.4321 -5.7752 -5.7752 -5.4975 -5.4975 -4.8540 -4.8540 1.5079 1.5079 2.3550 2.3550 13.0571 13.0571 15.4737 15.4737 17.2734 17.2734 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9993 0.9993 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4865-0.5996 ( 869 PWs) bands (ev): -25.1668 -25.1668 -11.4715 -11.4715 -6.0738 -6.0738 -5.0377 -5.0377 -4.8513 -4.8513 1.3552 1.3552 2.6511 2.6511 12.9450 12.9450 15.1782 15.1782 17.2038 17.2038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4865-0.4556 ( 864 PWs) bands (ev): -25.2092 -25.2092 -11.4784 -11.4784 -6.2425 -6.2425 -4.8949 -4.8949 -4.6580 -4.6580 1.3368 1.3368 2.8853 2.8853 12.8704 12.8704 14.7712 14.7712 17.1997 17.1997 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4865-0.3116 ( 865 PWs) bands (ev): -25.2577 -25.2577 -11.4498 -11.4498 -6.3004 -6.3004 -4.9229 -4.9229 -4.4820 -4.4820 1.4802 1.4802 2.9601 2.9601 12.8143 12.8143 14.5543 14.5543 17.3332 17.3332 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4865-0.1675 ( 865 PWs) bands (ev): -25.2967 -25.2967 -11.3926 -11.3926 -6.3217 -6.3217 -4.9077 -4.9077 -4.4936 -4.4936 1.7468 1.7468 2.8562 2.8562 12.8443 12.8443 14.4621 14.4621 17.7224 17.7224 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4865-0.0235 ( 863 PWs) bands (ev): -25.3140 -25.3140 -11.3234 -11.3234 -6.3688 -6.3688 -4.9400 -4.9400 -4.5046 -4.5046 2.0073 2.0073 2.6646 2.6646 12.9850 12.9850 14.3393 14.3393 18.3269 18.3269 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3557 0.0602 ( 859 PWs) bands (ev): -25.4060 -25.4060 -11.3083 -11.3083 -6.5346 -6.5346 -4.7449 -4.7449 -4.2721 -4.2721 2.3161 2.3161 2.8048 2.8048 12.4751 12.4751 14.1483 14.1483 18.2781 18.2782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3557 0.2042 ( 867 PWs) bands (ev): -25.3690 -25.3690 -11.2774 -11.2774 -6.5347 -6.5347 -4.8864 -4.8864 -4.2794 -4.2794 2.0982 2.0982 2.8236 2.8236 12.7932 12.7932 14.0857 14.0857 18.2620 18.2620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3557 0.3483 ( 862 PWs) bands (ev): -25.3041 -25.3041 -11.2630 -11.2630 -6.4854 -6.4854 -4.9788 -4.9788 -4.4448 -4.4448 1.8574 1.8574 2.7265 2.7265 13.2969 13.2969 14.0490 14.0490 18.0538 18.0538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3557 0.4923 ( 869 PWs) bands (ev): -25.2314 -25.2314 -11.2675 -11.2675 -6.3719 -6.3719 -4.9878 -4.9878 -4.7647 -4.7647 1.7343 1.7343 2.4870 2.4870 13.5216 13.5216 14.4050 14.4050 17.7363 17.7363 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0756 0.0756 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3557 0.6363 ( 867 PWs) bands (ev): -25.1742 -25.1742 -11.2888 -11.2888 -6.1664 -6.1664 -5.1999 -5.1999 -4.9097 -4.9097 1.7732 1.7732 2.1839 2.1839 13.3777 13.3777 15.0960 15.0960 17.3083 17.3083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3557 0.7803 ( 862 PWs) bands (ev): -25.1512 -25.1512 -11.3214 -11.3214 -5.9203 -5.9203 -5.5100 -5.5100 -4.8721 -4.8721 1.8282 1.8282 2.0436 2.0436 13.2139 13.2139 15.6153 15.6153 16.9059 16.9059 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3557-0.6598 ( 865 PWs) bands (ev): -25.1700 -25.1700 -11.3567 -11.3567 -6.0218 -6.0218 -5.3097 -5.3097 -4.8534 -4.8534 1.6698 1.6698 2.3136 2.3136 13.1110 13.1110 15.5111 15.5111 16.9739 16.9739 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3557-0.5158 ( 868 PWs) bands (ev): -25.2245 -25.2245 -11.3838 -11.3838 -6.2046 -6.2046 -4.9881 -4.9881 -4.7706 -4.7706 1.6300 1.6300 2.6237 2.6237 13.0307 13.0307 14.9342 14.9342 17.4350 17.4350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3557-0.3718 ( 865 PWs) bands (ev): -25.2967 -25.2967 -11.3926 -11.3926 -6.3217 -6.3217 -4.9077 -4.9077 -4.4936 -4.4936 1.7468 1.7468 2.8562 2.8562 12.8443 12.8443 14.4621 14.4621 17.7224 17.7224 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3557-0.2278 ( 867 PWs) bands (ev): -25.3634 -25.3634 -11.3787 -11.3787 -6.4100 -6.4100 -4.8157 -4.8157 -4.3256 -4.3256 1.9865 1.9865 2.9392 2.9392 12.5649 12.5649 14.2704 14.2704 17.8330 17.8330 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3557-0.0838 ( 863 PWs) bands (ev): -25.4040 -25.4040 -11.3466 -11.3466 -6.4874 -6.4874 -4.7095 -4.7095 -4.2976 -4.2976 2.2494 2.2494 2.8708 2.8708 12.4055 12.4055 14.2018 14.2018 18.0542 18.0542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2249 0.0000 ( 870 PWs) bands (ev): -25.4966 -25.4966 -11.3663 -11.3663 -6.6265 -6.6265 -4.3954 -4.3954 -4.1375 -4.1375 2.6687 2.6687 2.9429 2.9429 11.6655 11.6655 14.2061 14.2061 17.9195 17.9195 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2249 0.1440 ( 866 PWs) bands (ev): -25.4716 -25.4716 -11.3614 -11.3614 -6.5870 -6.5870 -4.4983 -4.4983 -4.1652 -4.1652 2.5211 2.5211 2.9550 2.9550 11.8695 11.8695 14.2020 14.2020 17.9259 17.9259 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0066 0.0066 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2249 0.2880 ( 863 PWs) bands (ev): -25.4040 -25.4040 -11.3466 -11.3466 -6.4874 -6.4874 -4.7095 -4.7095 -4.2976 -4.2976 2.2494 2.2494 2.8708 2.8708 12.4055 12.4055 14.2018 14.2018 18.0542 18.0542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2249 0.4320 ( 863 PWs) bands (ev): -25.3140 -25.3140 -11.3234 -11.3234 -6.3688 -6.3688 -4.9400 -4.9400 -4.5046 -4.5046 2.0073 2.0073 2.6646 2.6646 12.9850 12.9850 14.3393 14.3393 18.3269 18.3269 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2249 0.5760 ( 867 PWs) bands (ev): -25.2298 -25.2298 -11.2985 -11.2985 -6.2585 -6.2585 -5.1886 -5.1886 -4.6592 -4.6592 1.8734 1.8734 2.4052 2.4052 13.2041 13.2041 14.8609 14.8609 17.3125 17.3125 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9710 0.9710 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2249 0.7201 ( 861 PWs) bands (ev): -25.1791 -25.1791 -11.2820 -11.2820 -6.1721 -6.1721 -5.3928 -5.3928 -4.7159 -4.7159 1.8579 1.8579 2.1962 2.1962 13.1997 13.1997 15.5665 15.5665 16.4305 16.4305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2249-0.7201 ( 861 PWs) bands (ev): -25.1791 -25.1791 -11.2820 -11.2820 -6.1721 -6.1721 -5.3928 -5.3928 -4.7159 -4.7159 1.8579 1.8579 2.1962 2.1962 13.1997 13.1997 15.5665 15.5665 16.4305 16.4305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2249-0.5760 ( 867 PWs) bands (ev): -25.2298 -25.2298 -11.2985 -11.2985 -6.2585 -6.2585 -5.1886 -5.1886 -4.6592 -4.6592 1.8734 1.8734 2.4052 2.4052 13.2041 13.2041 14.8609 14.8609 17.3125 17.3125 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9710 0.9710 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2249-0.4320 ( 863 PWs) bands (ev): -25.3140 -25.3140 -11.3234 -11.3234 -6.3688 -6.3688 -4.9400 -4.9400 -4.5046 -4.5046 2.0073 2.0073 2.6646 2.6646 12.9850 12.9850 14.3393 14.3393 18.3269 18.3269 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2249-0.2880 ( 863 PWs) bands (ev): -25.4040 -25.4040 -11.3466 -11.3466 -6.4874 -6.4874 -4.7095 -4.7095 -4.2976 -4.2976 2.2494 2.2494 2.8708 2.8708 12.4055 12.4055 14.2018 14.2018 18.0542 18.0542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2249-0.1440 ( 866 PWs) bands (ev): -25.4716 -25.4716 -11.3614 -11.3614 -6.5870 -6.5870 -4.4983 -4.4983 -4.1652 -4.1652 2.5211 2.5211 2.9550 2.9550 11.8695 11.8695 14.2020 14.2020 17.9259 17.9259 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0066 0.0066 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1881-0.1205 ( 861 PWs) bands (ev): -25.4699 -25.4699 -11.3938 -11.3938 -6.5305 -6.5305 -4.5435 -4.5435 -4.1399 -4.1399 2.6069 2.6069 2.8924 2.8924 11.8474 11.8474 14.2013 14.2013 17.7549 17.7549 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1881 0.0235 ( 862 PWs) bands (ev): -25.4906 -25.4906 -11.4796 -11.4796 -6.4565 -6.4565 -4.4087 -4.4087 -4.1429 -4.1429 2.6710 2.6710 2.9772 2.9772 11.5765 11.5765 14.2116 14.2116 17.3472 17.3472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1881 0.1675 ( 863 PWs) bands (ev): -25.4619 -25.4619 -11.5377 -11.5377 -6.3263 -6.3263 -4.4784 -4.4784 -4.2038 -4.2038 2.4733 2.4733 3.0512 3.0512 11.7029 11.7029 14.2200 14.2200 17.1655 17.1655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1828 0.1828 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1881 0.3116 ( 866 PWs) bands (ev): -25.3924 -25.3924 -11.5486 -11.5486 -6.1839 -6.1839 -4.7059 -4.7059 -4.3279 -4.3279 2.2072 2.2072 2.9748 2.9748 12.1162 12.1162 14.3272 14.3272 17.3003 17.3003 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1881 0.4556 ( 864 PWs) bands (ev): -25.3030 -25.3030 -11.5086 -11.5086 -6.0815 -6.0815 -4.9735 -4.9735 -4.5082 -4.5082 1.9753 1.9753 2.7625 2.7625 12.5464 12.5464 14.7275 14.7275 17.7571 17.7571 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1881 0.5996 ( 867 PWs) bands (ev): -25.2218 -25.2218 -11.4307 -11.4307 -6.0527 -6.0527 -5.2256 -5.2256 -4.6496 -4.6496 1.8348 1.8348 2.4900 2.4900 12.8393 12.8393 15.4083 15.4083 16.8499 16.8499 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0619 0.0619 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1881-0.8405 ( 864 PWs) bands (ev): -25.1755 -25.1755 -11.3408 -11.3408 -6.1209 -6.1209 -5.3474 -5.3474 -4.7263 -4.7263 1.7887 1.7887 2.2698 2.2698 13.1024 13.1024 15.7138 15.7138 16.3655 16.3655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1881-0.6965 ( 864 PWs) bands (ev): -25.1799 -25.1799 -11.2679 -11.2679 -6.2630 -6.2630 -5.2637 -5.2637 -4.7588 -4.7588 1.7859 1.7859 2.2333 2.2333 13.4064 13.4064 15.0034 15.0034 17.0056 17.0056 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1881-0.5525 ( 864 PWs) bands (ev): -25.2334 -25.2334 -11.2344 -11.2344 -6.3937 -6.3937 -5.0768 -5.0768 -4.7092 -4.7092 1.8432 1.8432 2.3891 2.3891 13.7019 13.7019 14.2305 14.2305 17.7456 17.7456 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9909 0.9909 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1881-0.4085 ( 866 PWs) bands (ev): -25.3180 -25.3180 -11.2494 -11.2494 -6.4840 -6.4840 -4.9177 -4.9177 -4.5081 -4.5081 2.0277 2.0277 2.6159 2.6159 13.3036 13.3036 14.0156 14.0156 18.5733 18.5733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1881-0.2645 ( 859 PWs) bands (ev): -25.4060 -25.4060 -11.3083 -11.3083 -6.5346 -6.5346 -4.7449 -4.7449 -4.2721 -4.2721 2.3161 2.3161 2.8048 2.8048 12.4751 12.4751 14.1483 14.1483 18.2781 18.2782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0573-0.1807 ( 862 PWs) bands (ev): -25.4906 -25.4906 -11.4796 -11.4796 -6.4565 -6.4565 -4.4087 -4.4087 -4.1429 -4.1429 2.6710 2.6710 2.9772 2.9772 11.5765 11.5765 14.2116 14.2116 17.3472 17.3472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0573-0.0367 ( 859 PWs) bands (ev): -25.5377 -25.5377 -11.6189 -11.6189 -6.3628 -6.3628 -4.2000 -4.2000 -4.0533 -4.0533 2.9744 2.9744 3.0102 3.0102 11.0501 11.0501 14.1369 14.1369 16.7718 16.7718 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0573 0.1073 ( 858 PWs) bands (ev): -25.5317 -25.5317 -11.7209 -11.7209 -6.2066 -6.2066 -4.1654 -4.1654 -4.0990 -4.0990 2.8969 2.8969 3.1181 3.1181 10.9907 10.9907 14.0344 14.0344 16.4993 16.4993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0573 0.2513 ( 863 PWs) bands (ev): -25.4743 -25.4743 -11.7545 -11.7545 -6.0252 -6.0252 -4.4397 -4.4397 -4.1603 -4.1603 2.6894 2.6894 3.0528 3.0528 11.3713 11.3713 14.0196 14.0196 16.5802 16.5802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0573 0.3953 ( 864 PWs) bands (ev): -25.3824 -25.3824 -11.7097 -11.7097 -5.8916 -5.8916 -4.8432 -4.8432 -4.2729 -4.2729 2.3978 2.3978 2.8739 2.8739 11.9348 11.9348 14.3131 14.3131 16.9209 16.9209 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9829 0.9829 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0573 0.5393 ( 876 PWs) bands (ev): -25.2840 -25.2840 -11.5997 -11.5997 -5.9312 -5.9312 -5.1453 -5.1453 -4.4010 -4.4010 2.0683 2.0683 2.6851 2.6851 12.4111 12.4111 15.0048 15.0048 16.8725 16.8725 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0573-0.9008 ( 869 PWs) bands (ev): -25.2109 -25.2109 -11.4578 -11.4578 -6.1611 -6.1611 -5.2241 -5.2241 -4.5029 -4.5029 1.7712 1.7712 2.5621 2.5621 12.8266 12.8266 15.7581 15.7581 15.8980 15.8980 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0573-0.7568 ( 867 PWs) bands (ev): -25.1879 -25.1879 -11.3293 -11.3293 -6.3670 -6.3670 -5.2073 -5.2073 -4.5535 -4.5535 1.5960 1.5960 2.5348 2.5348 13.2658 13.2658 14.9215 14.9215 16.5894 16.5894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0024 0.0024 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0573-0.6127 ( 869 PWs) bands (ev): -25.2230 -25.2230 -11.2563 -11.2563 -6.4615 -6.4615 -5.1385 -5.1385 -4.5367 -4.5367 1.6188 1.6188 2.5991 2.5991 13.6830 13.6830 14.1547 14.1547 17.2993 17.2993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0573-0.4687 ( 862 PWs) bands (ev): -25.3041 -25.3041 -11.2630 -11.2630 -6.4854 -6.4854 -4.9788 -4.9788 -4.4448 -4.4448 1.8574 1.8574 2.7265 2.7265 13.2969 13.2969 14.0490 14.0490 18.0538 18.0538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0573-0.3247 ( 863 PWs) bands (ev): -25.4040 -25.4040 -11.3466 -11.3466 -6.4874 -6.4874 -4.7095 -4.7095 -4.2976 -4.2976 2.2494 2.2494 2.8708 2.8708 12.4055 12.4055 14.2018 14.2018 18.0542 18.0542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0735-0.2409 ( 863 PWs) bands (ev): -25.4619 -25.4619 -11.5377 -11.5377 -6.3263 -6.3263 -4.4784 -4.4784 -4.2038 -4.2038 2.4733 2.4733 3.0512 3.0512 11.7029 11.7029 14.2200 14.2200 17.1655 17.1655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1828 0.1828 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0735-0.0969 ( 858 PWs) bands (ev): -25.5317 -25.5317 -11.7209 -11.7209 -6.2066 -6.2066 -4.1654 -4.1654 -4.0990 -4.0990 2.8969 2.8969 3.1181 3.1181 10.9907 10.9907 14.0344 14.0344 16.4993 16.4993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0735 0.0471 ( 866 PWs) bands (ev): -25.5522 -25.5522 -11.8702 -11.8702 -6.0387 -6.0387 -4.0644 -4.0644 -4.0390 -4.0390 3.0985 3.0985 3.1304 3.1304 10.6822 10.6822 13.7878 13.7878 16.1607 16.1607 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0735 0.1911 ( 853 PWs) bands (ev): -25.5175 -25.5175 -11.9423 -11.9423 -5.8450 -5.8450 -4.2348 -4.2348 -4.0715 -4.0715 3.0331 3.0331 3.0669 3.0669 10.8761 10.8761 13.6314 13.6314 16.1891 16.1891 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0735 0.3351 ( 866 PWs) bands (ev): -25.4379 -25.4379 -11.9175 -11.9175 -5.6860 -5.6860 -4.6365 -4.6365 -4.1561 -4.1561 2.7554 2.7554 2.9305 2.9305 11.4103 11.4103 13.8000 13.8000 16.4747 16.4747 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0735 0.4791 ( 867 PWs) bands (ev): -25.3368 -25.3368 -11.8025 -11.8025 -5.7096 -5.7096 -5.0017 -5.0017 -4.2743 -4.2743 2.3202 2.3202 2.8089 2.8089 11.9760 11.9760 14.4470 14.4470 16.7547 16.7547 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0735-0.9610 ( 872 PWs) bands (ev): -25.2462 -25.2462 -11.6296 -11.6296 -6.0236 -6.0236 -5.0916 -5.0916 -4.3883 -4.3883 1.8752 1.8752 2.7198 2.7198 12.4867 12.4867 15.3126 15.3126 16.1318 16.1318 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0735-0.8170 ( 875 PWs) bands (ev): -25.1960 -25.1960 -11.4511 -11.4511 -6.3322 -6.3322 -5.0929 -5.0929 -4.4634 -4.4634 1.5467 1.5467 2.6893 2.6893 13.0038 13.0038 15.0489 15.0489 16.2835 16.2835 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0735-0.6730 ( 868 PWs) bands (ev): -25.2037 -25.2037 -11.3260 -11.3260 -6.4777 -6.4777 -5.0888 -5.0888 -4.4777 -4.4777 1.4397 1.4397 2.7258 2.7258 13.4446 13.4446 14.3696 14.3696 16.9258 16.9258 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0735-0.5290 ( 871 PWs) bands (ev): -25.2667 -25.2667 -11.2984 -11.2984 -6.4756 -6.4756 -5.0244 -5.0244 -4.4269 -4.4269 1.6004 1.6004 2.8183 2.8183 13.3060 13.3060 14.1724 14.1724 17.5442 17.5442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0735-0.3850 ( 867 PWs) bands (ev): -25.3634 -25.3634 -11.3787 -11.3787 -6.4100 -6.4100 -4.8157 -4.8157 -4.3256 -4.3256 1.9865 1.9865 2.9392 2.9392 12.5649 12.5649 14.2704 14.2704 17.8330 17.8330 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2043-0.3012 ( 866 PWs) bands (ev): -25.3924 -25.3924 -11.5486 -11.5486 -6.1839 -6.1839 -4.7059 -4.7059 -4.3279 -4.3279 2.2072 2.2072 2.9748 2.9748 12.1162 12.1162 14.3272 14.3272 17.3003 17.3003 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2043-0.1572 ( 863 PWs) bands (ev): -25.4743 -25.4743 -11.7545 -11.7545 -6.0252 -6.0252 -4.4397 -4.4397 -4.1603 -4.1603 2.6894 2.6894 3.0528 3.0528 11.3713 11.3713 14.0196 14.0196 16.5802 16.5802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2043-0.0132 ( 853 PWs) bands (ev): -25.5175 -25.5175 -11.9423 -11.9423 -5.8450 -5.8450 -4.2348 -4.2348 -4.0715 -4.0715 3.0331 3.0331 3.0669 3.0669 10.8761 10.8761 13.6314 13.6314 16.1891 16.1891 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2043 0.1309 ( 849 PWs) bands (ev): -25.5096 -25.5096 -12.0570 -12.0570 -5.6553 -5.6553 -4.1895 -4.1895 -4.1305 -4.1305 2.9425 2.9425 3.1970 3.1970 10.8149 10.8149 13.3467 13.3467 16.1464 16.1464 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2043 0.2749 ( 860 PWs) bands (ev): -25.4528 -25.4528 -12.0683 -12.0683 -5.5002 -5.5002 -4.4669 -4.4669 -4.1884 -4.1884 2.7277 2.7277 3.1271 3.1271 11.1596 11.1596 13.3963 13.3963 16.3582 16.3582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2043 0.4189 ( 861 PWs) bands (ev): -25.3640 -25.3640 -11.9734 -11.9734 -5.4931 -5.4931 -4.8084 -4.8084 -4.3054 -4.3054 2.3977 2.3977 2.9476 2.9476 11.6736 11.6736 13.9657 13.9657 16.6629 16.6629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9830 0.9830 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2043-1.0212 ( 870 PWs) bands (ev): -25.2702 -25.2702 -11.7976 -11.7976 -5.7785 -5.7785 -4.9441 -4.9441 -4.4430 -4.4430 1.9887 1.9887 2.7818 2.7818 12.1984 12.1984 14.9414 14.9414 16.4450 16.4450 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2043-0.8772 ( 870 PWs) bands (ev): -25.2018 -25.2018 -11.5909 -11.5909 -6.1349 -6.1349 -4.9707 -4.9707 -4.5566 -4.5566 1.6136 1.6136 2.6879 2.6879 12.7362 12.7362 15.4726 15.4726 16.0217 16.0217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2043-0.7332 ( 865 PWs) bands (ev): -25.1819 -25.1819 -11.4190 -11.4190 -6.3575 -6.3575 -4.9887 -4.9887 -4.6183 -4.6183 1.4051 1.4051 2.6784 2.6784 13.1998 13.1998 14.8207 14.8207 16.7155 16.7155 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2043-0.5892 ( 871 PWs) bands (ev): -25.2177 -25.2177 -11.3431 -11.3431 -6.4046 -6.4046 -4.9866 -4.9866 -4.6006 -4.6006 1.4497 1.4497 2.7436 2.7436 13.2943 13.2943 14.5043 14.5043 17.2442 17.2442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2043-0.4452 ( 865 PWs) bands (ev): -25.2967 -25.2967 -11.3926 -11.3926 -6.3217 -6.3217 -4.9077 -4.9077 -4.4936 -4.4936 1.7468 1.7468 2.8562 2.8562 12.8443 12.8443 14.4621 14.4621 17.7224 17.7224 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3351-0.3614 ( 864 PWs) bands (ev): -25.3030 -25.3030 -11.5086 -11.5086 -6.0815 -6.0815 -4.9735 -4.9735 -4.5082 -4.5082 1.9753 1.9753 2.7625 2.7625 12.5464 12.5464 14.7275 14.7275 17.7571 17.7571 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3351-0.2174 ( 864 PWs) bands (ev): -25.3824 -25.3824 -11.7097 -11.7097 -5.8916 -5.8916 -4.8432 -4.8432 -4.2729 -4.2729 2.3978 2.3978 2.8739 2.8739 11.9348 11.9348 14.3131 14.3131 16.9209 16.9209 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9829 0.9829 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3351-0.0734 ( 866 PWs) bands (ev): -25.4379 -25.4379 -11.9175 -11.9175 -5.6860 -5.6860 -4.6365 -4.6365 -4.1561 -4.1561 2.7554 2.7554 2.9305 2.9305 11.4103 11.4103 13.8000 13.8000 16.4747 16.4747 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3351 0.0706 ( 860 PWs) bands (ev): -25.4528 -25.4528 -12.0683 -12.0683 -5.5002 -5.5002 -4.4669 -4.4669 -4.1884 -4.1884 2.7277 2.7277 3.1271 3.1271 11.1596 11.1596 13.3963 13.3963 16.3582 16.3582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3351 0.2146 ( 862 PWs) bands (ev): -25.4229 -25.4229 -12.1214 -12.1214 -5.3777 -5.3777 -4.4990 -4.4990 -4.2707 -4.2707 2.5089 2.5089 3.2208 3.2208 11.2456 11.2456 13.3103 13.3103 16.4751 16.4751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0162 0.0162 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3351 0.3586 ( 861 PWs) bands (ev): -25.3571 -25.3571 -12.0637 -12.0637 -5.3982 -5.3982 -4.6659 -4.6659 -4.3866 -4.3866 2.2239 2.2239 3.1253 3.1253 11.5786 11.5786 13.7154 13.7154 16.7070 16.7070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3351-1.0815 ( 869 PWs) bands (ev): -25.2752 -25.2752 -11.9104 -11.9104 -5.6001 -5.6001 -4.7893 -4.7893 -4.5659 -4.5659 1.9260 1.9260 2.9025 2.9025 12.0302 12.0302 14.6134 14.6134 16.6908 16.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3351-0.9375 ( 872 PWs) bands (ev): -25.2031 -25.2031 -11.7033 -11.7033 -5.8675 -5.8675 -4.9299 -4.9299 -4.6992 -4.6992 1.6566 1.6566 2.6716 2.6716 12.5360 12.5360 15.6869 15.6869 16.0683 16.0683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3351-0.7935 ( 867 PWs) bands (ev): -25.1645 -25.1645 -11.5048 -11.5048 -6.0913 -6.0913 -5.0204 -5.0204 -4.8024 -4.8024 1.4731 1.4731 2.5361 2.5361 12.9946 12.9946 15.3912 15.3912 16.6314 16.6314 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0022 0.0022 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3351-0.6494 ( 865 PWs) bands (ev): -25.1725 -25.1725 -11.3827 -11.3827 -6.2125 -6.2125 -4.9699 -4.9699 -4.9065 -4.9065 1.4514 1.4514 2.5288 2.5288 13.2083 13.2083 15.0627 15.0627 17.1038 17.1038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0038 0.0038 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3351-0.5054 ( 868 PWs) bands (ev): -25.2245 -25.2245 -11.3838 -11.3838 -6.2046 -6.2046 -4.9881 -4.9881 -4.7706 -4.7706 1.6300 1.6300 2.6237 2.6237 13.0307 13.0307 14.9342 14.9342 17.4350 17.4350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4659-0.4217 ( 867 PWs) bands (ev): -25.2218 -25.2218 -11.4307 -11.4307 -6.0527 -6.0527 -5.2256 -5.2256 -4.6496 -4.6496 1.8348 1.8348 2.4900 2.4900 12.8393 12.8393 15.4083 15.4083 16.8499 16.8499 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0619 0.0619 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4659-0.2776 ( 876 PWs) bands (ev): -25.2840 -25.2840 -11.5997 -11.5997 -5.9312 -5.9312 -5.1453 -5.1453 -4.4010 -4.4010 2.0683 2.0683 2.6851 2.6851 12.4111 12.4111 15.0048 15.0048 16.8726 16.8726 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4659-0.1336 ( 867 PWs) bands (ev): -25.3368 -25.3368 -11.8025 -11.8025 -5.7096 -5.7096 -5.0017 -5.0017 -4.2743 -4.2743 2.3202 2.3202 2.8089 2.8089 11.9760 11.9760 14.4470 14.4470 16.7547 16.7547 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4659 0.0104 ( 861 PWs) bands (ev): -25.3640 -25.3640 -11.9734 -11.9734 -5.4931 -5.4931 -4.8084 -4.8084 -4.3054 -4.3054 2.3977 2.3977 2.9476 2.9476 11.6736 11.6736 13.9657 13.9657 16.6629 16.6629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9830 0.9830 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4659 0.1544 ( 861 PWs) bands (ev): -25.3571 -25.3571 -12.0637 -12.0637 -5.3982 -5.3982 -4.6659 -4.6659 -4.3866 -4.3866 2.2239 2.2239 3.1253 3.1253 11.5786 11.5786 13.7154 13.7154 16.7070 16.7070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4659 0.2984 ( 864 PWs) bands (ev): -25.3184 -25.3184 -12.0502 -12.0502 -5.4884 -5.4884 -4.6555 -4.6555 -4.4198 -4.4198 1.9548 1.9548 3.1820 3.1820 11.7086 11.7086 13.8260 13.8260 16.8244 16.8244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4659-1.1417 ( 869 PWs) bands (ev): -25.2597 -25.2597 -11.9374 -11.9374 -5.6746 -5.6746 -4.6702 -4.6702 -4.5738 -4.5738 1.7021 1.7021 3.0563 3.0563 12.0276 12.0276 14.3782 14.3782 16.8057 16.8057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4659-0.9977 ( 871 PWs) bands (ev): -25.1993 -25.1993 -11.7555 -11.7555 -5.8105 -5.8105 -4.8954 -4.8954 -4.7006 -4.7006 1.5338 1.5338 2.7910 2.7910 12.4541 12.4541 15.2292 15.2292 16.5216 16.5216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4659-0.8537 ( 868 PWs) bands (ev): -25.1566 -25.1566 -11.5569 -11.5569 -5.8401 -5.8401 -5.2553 -5.2553 -4.7752 -4.7752 1.4845 1.4845 2.4971 2.4971 12.8707 12.8707 15.6284 15.6284 16.6772 16.6772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0375 0.0375 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4659-0.7097 ( 863 PWs) bands (ev): -25.1456 -25.1456 -11.4055 -11.4055 -5.8826 -5.8826 -5.4208 -5.4208 -4.8586 -4.8586 1.5470 1.5470 2.3051 2.3051 13.1261 13.1261 15.5337 15.5337 17.0364 17.0364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4659-0.5657 ( 865 PWs) bands (ev): -25.1700 -25.1700 -11.3567 -11.3567 -6.0218 -6.0218 -5.3097 -5.3097 -4.8534 -4.8534 1.6698 1.6698 2.3136 2.3136 13.1110 13.1110 15.5111 15.5111 16.9739 16.9739 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8422 0.1807 ( 864 PWs) bands (ev): -25.1755 -25.1755 -11.3408 -11.3408 -6.1209 -6.1209 -5.3474 -5.3474 -4.7263 -4.7263 1.7887 1.7887 2.2698 2.2698 13.1024 13.1024 15.7138 15.7138 16.3655 16.3655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8422 0.3247 ( 869 PWs) bands (ev): -25.2109 -25.2109 -11.4578 -11.4578 -6.1611 -6.1611 -5.2241 -5.2241 -4.5029 -4.5029 1.7712 1.7712 2.5621 2.5621 12.8266 12.8266 15.7581 15.7581 15.8980 15.8980 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8422 0.4687 ( 872 PWs) bands (ev): -25.2462 -25.2462 -11.6296 -11.6296 -6.0236 -6.0236 -5.0916 -5.0916 -4.3883 -4.3883 1.8752 1.8752 2.7198 2.7198 12.4867 12.4867 15.3126 15.3126 16.1318 16.1318 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8422 0.6127 ( 870 PWs) bands (ev): -25.2702 -25.2702 -11.7976 -11.7976 -5.7785 -5.7785 -4.9441 -4.9441 -4.4430 -4.4430 1.9887 1.9887 2.7818 2.7818 12.1984 12.1984 14.9414 14.9414 16.4450 16.4450 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8422 0.7568 ( 869 PWs) bands (ev): -25.2752 -25.2752 -11.9104 -11.9104 -5.6001 -5.6001 -4.7893 -4.7893 -4.5659 -4.5659 1.9260 1.9260 2.9025 2.9025 12.0302 12.0302 14.6134 14.6134 16.6908 16.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8422 0.9008 ( 869 PWs) bands (ev): -25.2597 -25.2597 -11.9374 -11.9374 -5.6746 -5.6746 -4.6702 -4.6702 -4.5738 -4.5738 1.7021 1.7021 3.0563 3.0563 12.0276 12.0276 14.3782 14.3782 16.8057 16.8057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8422-0.5393 ( 872 PWs) bands (ev): -25.2284 -25.2284 -11.8725 -11.8725 -5.8822 -5.8822 -4.6649 -4.6649 -4.5327 -4.5327 1.4709 1.4709 3.0925 3.0925 12.2088 12.2088 14.4007 14.4007 16.7850 16.7850 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8422-0.3953 ( 874 PWs) bands (ev): -25.1915 -25.1915 -11.7339 -11.7339 -6.0254 -6.0254 -4.7117 -4.7117 -4.6776 -4.6776 1.3377 1.3377 2.9460 2.9460 12.5225 12.5225 14.7915 14.7915 16.6830 16.6830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8422-0.2513 ( 866 PWs) bands (ev): -25.1606 -25.1606 -11.5607 -11.5607 -6.0200 -6.0200 -5.0267 -5.0267 -4.7773 -4.7773 1.3594 1.3594 2.6516 2.6516 12.8660 12.8660 15.3075 15.3075 16.7555 16.7555 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8422-0.1073 ( 863 PWs) bands (ev): -25.1456 -25.1456 -11.4055 -11.4055 -5.8826 -5.8826 -5.4208 -5.4208 -4.8586 -4.8586 1.5470 1.5470 2.3051 2.3051 13.1261 13.1261 15.5337 15.5337 17.0364 17.0364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8422 0.0367 ( 862 PWs) bands (ev): -25.1512 -25.1512 -11.3214 -11.3214 -5.9203 -5.9203 -5.5100 -5.5100 -4.8721 -4.8721 1.8282 1.8282 2.0436 2.0436 13.2139 13.2139 15.6153 15.6153 16.9059 16.9059 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7113 0.1205 ( 864 PWs) bands (ev): -25.1799 -25.1799 -11.2679 -11.2679 -6.2630 -6.2630 -5.2637 -5.2637 -4.7588 -4.7588 1.7859 1.7859 2.2333 2.2333 13.4064 13.4064 15.0034 15.0034 17.0056 17.0056 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7113 0.2645 ( 867 PWs) bands (ev): -25.1879 -25.1879 -11.3293 -11.3293 -6.3670 -6.3670 -5.2073 -5.2073 -4.5535 -4.5535 1.5960 1.5960 2.5348 2.5348 13.2658 13.2658 14.9215 14.9215 16.5894 16.5894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0024 0.0024 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7113 0.4085 ( 875 PWs) bands (ev): -25.1960 -25.1960 -11.4511 -11.4511 -6.3322 -6.3322 -5.0929 -5.0929 -4.4634 -4.4634 1.5467 1.5467 2.6893 2.6893 13.0038 13.0038 15.0489 15.0489 16.2835 16.2835 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7113 0.5525 ( 870 PWs) bands (ev): -25.2018 -25.2018 -11.5909 -11.5909 -6.1349 -6.1349 -4.9707 -4.9707 -4.5566 -4.5566 1.6136 1.6136 2.6879 2.6879 12.7362 12.7362 15.4726 15.4726 16.0217 16.0217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7113 0.6965 ( 872 PWs) bands (ev): -25.2031 -25.2031 -11.7033 -11.7033 -5.8675 -5.8675 -4.9299 -4.9299 -4.6992 -4.6992 1.6566 1.6566 2.6716 2.6716 12.5360 12.5360 15.6869 15.6869 16.0683 16.0683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7113 0.8405 ( 871 PWs) bands (ev): -25.1993 -25.1993 -11.7555 -11.7555 -5.8105 -5.8105 -4.8954 -4.8954 -4.7006 -4.7006 1.5338 1.5338 2.7910 2.7910 12.4541 12.4541 15.2292 15.2292 16.5216 16.5216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7113-0.5996 ( 874 PWs) bands (ev): -25.1915 -25.1915 -11.7339 -11.7339 -6.0254 -6.0254 -4.7117 -4.7117 -4.6776 -4.6776 1.3377 1.3377 2.9460 2.9460 12.5225 12.5225 14.7915 14.7915 16.6830 16.6830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7113-0.4556 ( 879 PWs) bands (ev): -25.1826 -25.1826 -11.6456 -11.6456 -6.2185 -6.2185 -4.7578 -4.7578 -4.5756 -4.5756 1.2158 1.2158 2.9791 2.9791 12.7130 12.7130 14.6462 14.6462 16.6910 16.6910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7113-0.3116 ( 871 PWs) bands (ev): -25.1755 -25.1755 -11.5158 -11.5158 -6.2750 -6.2750 -4.8434 -4.8434 -4.6877 -4.6877 1.2475 1.2475 2.8290 2.8290 12.9611 12.9611 14.8428 14.8428 16.7763 16.7763 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7113-0.1675 ( 865 PWs) bands (ev): -25.1725 -25.1725 -11.3827 -11.3827 -6.2125 -6.2125 -4.9699 -4.9699 -4.9065 -4.9065 1.4514 1.4514 2.5288 2.5288 13.2083 13.2083 15.0627 15.0627 17.1038 17.1038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0038 0.0038 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7113-0.0235 ( 867 PWs) bands (ev): -25.1742 -25.1742 -11.2888 -11.2888 -6.1664 -6.1664 -5.1999 -5.1999 -4.9097 -4.9097 1.7732 1.7732 2.1839 2.1839 13.3777 13.3777 15.0960 15.0960 17.3083 17.3083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5805 0.0602 ( 864 PWs) bands (ev): -25.2334 -25.2334 -11.2344 -11.2344 -6.3937 -6.3937 -5.0768 -5.0768 -4.7092 -4.7092 1.8432 1.8432 2.3891 2.3891 13.7019 13.7019 14.2305 14.2305 17.7456 17.7456 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9909 0.9909 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5805 0.2042 ( 869 PWs) bands (ev): -25.2230 -25.2230 -11.2563 -11.2563 -6.4615 -6.4615 -5.1385 -5.1385 -4.5367 -4.5367 1.6188 1.6188 2.5991 2.5991 13.6830 13.6830 14.1547 14.1547 17.2993 17.2993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5805 0.3483 ( 868 PWs) bands (ev): -25.2037 -25.2037 -11.3260 -11.3260 -6.4777 -6.4777 -5.0888 -5.0888 -4.4777 -4.4777 1.4397 1.4397 2.7258 2.7258 13.4446 13.4446 14.3696 14.3696 16.9258 16.9258 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5805 0.4923 ( 865 PWs) bands (ev): -25.1819 -25.1819 -11.4190 -11.4190 -6.3575 -6.3575 -4.9887 -4.9887 -4.6183 -4.6183 1.4051 1.4051 2.6784 2.6784 13.1998 13.1998 14.8207 14.8207 16.7155 16.7155 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5805 0.6363 ( 867 PWs) bands (ev): -25.1645 -25.1645 -11.5048 -11.5048 -6.0913 -6.0913 -5.0204 -5.0204 -4.8024 -4.8024 1.4731 1.4731 2.5361 2.5361 12.9946 12.9946 15.3912 15.3912 16.6314 16.6314 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0022 0.0022 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5805 0.7803 ( 868 PWs) bands (ev): -25.1566 -25.1566 -11.5569 -11.5569 -5.8401 -5.8401 -5.2553 -5.2553 -4.7752 -4.7752 1.4845 1.4845 2.4971 2.4971 12.8707 12.8707 15.6284 15.6284 16.6772 16.6772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0375 0.0375 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5805-0.6598 ( 866 PWs) bands (ev): -25.1606 -25.1606 -11.5607 -11.5607 -6.0200 -6.0200 -5.0267 -5.0267 -4.7773 -4.7773 1.3594 1.3594 2.6516 2.6516 12.8660 12.8660 15.3075 15.3075 16.7555 16.7555 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5805-0.5158 ( 871 PWs) bands (ev): -25.1755 -25.1755 -11.5158 -11.5158 -6.2750 -6.2750 -4.8434 -4.8434 -4.6877 -4.6877 1.2475 1.2475 2.8290 2.8290 12.9611 12.9611 14.8428 14.8428 16.7763 16.7763 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5805-0.3718 ( 868 PWs) bands (ev): -25.1968 -25.1968 -11.4355 -11.4355 -6.4009 -6.4009 -4.9250 -4.9250 -4.5365 -4.5365 1.2677 1.2677 2.8769 2.8769 13.1029 13.1029 14.5865 14.5865 16.8893 16.8893 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5805-0.2278 ( 871 PWs) bands (ev): -25.2177 -25.2177 -11.3431 -11.3431 -6.4046 -6.4046 -4.9866 -4.9866 -4.6006 -4.6006 1.4497 1.4497 2.7436 2.7436 13.2943 13.2943 14.5043 14.5043 17.2442 17.2442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5805-0.0838 ( 869 PWs) bands (ev): -25.2314 -25.2314 -11.2675 -11.2675 -6.3719 -6.3719 -4.9878 -4.9878 -4.7647 -4.7647 1.7343 1.7343 2.4870 2.4870 13.5216 13.5216 14.4050 14.4050 17.7363 17.7363 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0756 0.0756 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4497-0.0000 ( 866 PWs) bands (ev): -25.3180 -25.3180 -11.2494 -11.2494 -6.4840 -6.4840 -4.9177 -4.9177 -4.5081 -4.5081 2.0277 2.0277 2.6159 2.6159 13.3036 13.3036 14.0156 14.0156 18.5733 18.5733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4497 0.1440 ( 862 PWs) bands (ev): -25.3041 -25.3041 -11.2630 -11.2630 -6.4854 -6.4854 -4.9788 -4.9788 -4.4448 -4.4448 1.8574 1.8574 2.7265 2.7265 13.2969 13.2969 14.0490 14.0490 18.0538 18.0538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4497 0.2880 ( 871 PWs) bands (ev): -25.2667 -25.2667 -11.2984 -11.2984 -6.4756 -6.4756 -5.0244 -5.0244 -4.4269 -4.4269 1.6004 1.6004 2.8183 2.8183 13.3060 13.3060 14.1724 14.1724 17.5442 17.5442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4497 0.4320 ( 871 PWs) bands (ev): -25.2177 -25.2177 -11.3431 -11.3431 -6.4046 -6.4046 -4.9866 -4.9866 -4.6006 -4.6006 1.4497 1.4497 2.7436 2.7436 13.2943 13.2943 14.5043 14.5043 17.2442 17.2442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4497 0.5760 ( 865 PWs) bands (ev): -25.1725 -25.1725 -11.3827 -11.3827 -6.2125 -6.2125 -4.9699 -4.9699 -4.9065 -4.9065 1.4514 1.4514 2.5288 2.5288 13.2083 13.2083 15.0627 15.0627 17.1038 17.1038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0038 0.0038 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4497 0.7201 ( 863 PWs) bands (ev): -25.1456 -25.1456 -11.4055 -11.4055 -5.8826 -5.8826 -5.4208 -5.4208 -4.8586 -4.8586 1.5470 1.5470 2.3051 2.3051 13.1261 13.1261 15.5337 15.5337 17.0364 17.0364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4497-0.7201 ( 863 PWs) bands (ev): -25.1456 -25.1456 -11.4055 -11.4055 -5.8826 -5.8826 -5.4208 -5.4208 -4.8586 -4.8586 1.5470 1.5470 2.3051 2.3051 13.1261 13.1261 15.5337 15.5337 17.0364 17.0364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4497-0.5760 ( 865 PWs) bands (ev): -25.1725 -25.1725 -11.3827 -11.3827 -6.2125 -6.2125 -4.9699 -4.9699 -4.9065 -4.9065 1.4514 1.4514 2.5288 2.5288 13.2083 13.2083 15.0627 15.0627 17.1038 17.1038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0038 0.0038 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4497-0.4320 ( 871 PWs) bands (ev): -25.2177 -25.2177 -11.3431 -11.3431 -6.4046 -6.4046 -4.9866 -4.9866 -4.6006 -4.6006 1.4497 1.4497 2.7436 2.7436 13.2943 13.2943 14.5043 14.5043 17.2442 17.2442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4497-0.2880 ( 871 PWs) bands (ev): -25.2667 -25.2667 -11.2984 -11.2984 -6.4756 -6.4756 -5.0244 -5.0244 -4.4269 -4.4269 1.6004 1.6004 2.8183 2.8183 13.3060 13.3060 14.1724 14.1724 17.5442 17.5442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4497-0.1440 ( 862 PWs) bands (ev): -25.3041 -25.3041 -11.2630 -11.2630 -6.4854 -6.4854 -4.9788 -4.9788 -4.4448 -4.4448 1.8574 1.8574 2.7265 2.7265 13.2969 13.2969 14.0490 14.0490 18.0538 18.0538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3189-0.0602 ( 859 PWs) bands (ev): -25.4060 -25.4060 -11.3083 -11.3083 -6.5346 -6.5346 -4.7449 -4.7449 -4.2721 -4.2721 2.3161 2.3161 2.8048 2.8048 12.4751 12.4751 14.1483 14.1483 18.2781 18.2782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3189 0.0838 ( 863 PWs) bands (ev): -25.4040 -25.4040 -11.3466 -11.3466 -6.4874 -6.4874 -4.7095 -4.7095 -4.2976 -4.2976 2.2494 2.2494 2.8708 2.8708 12.4055 12.4055 14.2018 14.2018 18.0542 18.0542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3189 0.2278 ( 867 PWs) bands (ev): -25.3634 -25.3634 -11.3787 -11.3787 -6.4100 -6.4100 -4.8157 -4.8157 -4.3256 -4.3256 1.9865 1.9865 2.9392 2.9392 12.5649 12.5649 14.2704 14.2704 17.8330 17.8330 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3189 0.3718 ( 865 PWs) bands (ev): -25.2967 -25.2967 -11.3926 -11.3926 -6.3217 -6.3217 -4.9077 -4.9077 -4.4936 -4.4936 1.7468 1.7468 2.8562 2.8562 12.8443 12.8443 14.4621 14.4621 17.7224 17.7224 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3189 0.5158 ( 868 PWs) bands (ev): -25.2245 -25.2245 -11.3838 -11.3838 -6.2046 -6.2046 -4.9881 -4.9881 -4.7706 -4.7706 1.6300 1.6300 2.6237 2.6237 13.0307 13.0307 14.9342 14.9342 17.4350 17.4350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3189 0.6598 ( 865 PWs) bands (ev): -25.1700 -25.1700 -11.3567 -11.3567 -6.0218 -6.0218 -5.3097 -5.3097 -4.8534 -4.8534 1.6698 1.6698 2.3136 2.3136 13.1110 13.1110 15.5111 15.5111 16.9739 16.9739 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3189-0.7803 ( 862 PWs) bands (ev): -25.1512 -25.1512 -11.3214 -11.3214 -5.9203 -5.9203 -5.5100 -5.5100 -4.8721 -4.8721 1.8282 1.8282 2.0436 2.0436 13.2139 13.2139 15.6153 15.6153 16.9059 16.9059 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3189-0.6363 ( 867 PWs) bands (ev): -25.1742 -25.1742 -11.2888 -11.2888 -6.1664 -6.1664 -5.1999 -5.1999 -4.9097 -4.9097 1.7732 1.7732 2.1839 2.1839 13.3777 13.3777 15.0960 15.0960 17.3083 17.3083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3189-0.4923 ( 869 PWs) bands (ev): -25.2314 -25.2314 -11.2675 -11.2675 -6.3719 -6.3719 -4.9878 -4.9878 -4.7647 -4.7647 1.7343 1.7343 2.4870 2.4870 13.5216 13.5216 14.4050 14.4050 17.7363 17.7363 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0756 0.0756 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3189-0.3483 ( 862 PWs) bands (ev): -25.3041 -25.3041 -11.2630 -11.2630 -6.4854 -6.4854 -4.9788 -4.9788 -4.4448 -4.4448 1.8574 1.8574 2.7265 2.7265 13.2969 13.2969 14.0490 14.0490 18.0538 18.0538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3189-0.2042 ( 867 PWs) bands (ev): -25.3690 -25.3690 -11.2774 -11.2774 -6.5347 -6.5347 -4.8864 -4.8864 -4.2794 -4.2794 2.0982 2.0982 2.8236 2.8236 12.7932 12.7932 14.0857 14.0857 18.2620 18.2620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2822-0.1807 ( 873 PWs) bands (ev): -25.3653 -25.3653 -11.3483 -11.3483 -6.3976 -6.3976 -4.9759 -4.9759 -4.2503 -4.2503 2.2282 2.2282 2.7516 2.7516 12.6311 12.6311 14.2350 14.2350 17.9656 17.9656 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2822-0.0367 ( 863 PWs) bands (ev): -25.3980 -25.3980 -11.4545 -11.4545 -6.3005 -6.3005 -4.8013 -4.8013 -4.2611 -4.2611 2.3703 2.3703 2.8125 2.8125 12.2523 12.2523 14.2940 14.2940 17.6065 17.6065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2822 0.1073 ( 866 PWs) bands (ev): -25.3924 -25.3924 -11.5486 -11.5486 -6.1839 -6.1839 -4.7059 -4.7059 -4.3279 -4.3279 2.2072 2.2072 2.9748 2.9748 12.1162 12.1162 14.3272 14.3272 17.3003 17.3003 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2822 0.2513 ( 861 PWs) bands (ev): -25.3501 -25.3501 -11.6006 -11.6006 -6.0892 -6.0892 -4.7779 -4.7779 -4.3734 -4.3734 1.9287 1.9287 3.0618 3.0618 12.2039 12.2039 14.3957 14.3957 17.2451 17.2451 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2822 0.3953 ( 867 PWs) bands (ev): -25.2841 -25.2841 -11.5953 -11.5953 -6.0370 -6.0370 -4.8666 -4.8666 -4.5352 -4.5352 1.6903 1.6903 2.9768 2.9768 12.4326 12.4326 14.6568 14.6568 17.4412 17.4412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2822 0.5393 ( 871 PWs) bands (ev): -25.2148 -25.2148 -11.5358 -11.5358 -5.9853 -5.9853 -5.0001 -5.0001 -4.7653 -4.7653 1.5710 1.5710 2.7304 2.7304 12.6895 12.6895 15.1693 15.1693 17.4071 17.4071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2822-0.9008 ( 871 PWs) bands (ev): -25.1646 -25.1646 -11.4411 -11.4411 -5.8923 -5.8923 -5.3281 -5.3281 -4.8432 -4.8432 1.6024 1.6024 2.3969 2.3969 12.9622 12.9622 15.5451 15.5451 17.1338 17.1338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9840 0.9840 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2822-0.7568 ( 871 PWs) bands (ev): -25.1500 -25.1500 -11.3398 -11.3398 -5.9675 -5.9675 -5.3975 -5.3975 -4.9052 -4.9052 1.7770 1.7770 2.0836 2.0836 13.2698 13.2698 15.3374 15.3374 17.3470 17.3470 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2822-0.6127 ( 876 PWs) bands (ev): -25.1758 -25.1758 -11.2627 -11.2627 -6.2263 -6.2263 -5.1001 -5.1001 -4.9838 -4.9838 1.8657 1.8657 2.0784 2.0784 13.5683 13.5683 14.8098 14.8098 17.5931 17.5931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2822-0.4687 ( 864 PWs) bands (ev): -25.2334 -25.2334 -11.2344 -11.2344 -6.3937 -6.3937 -5.0768 -5.0768 -4.7092 -4.7092 1.8432 1.8432 2.3891 2.3891 13.7019 13.7019 14.2305 14.2305 17.7456 17.7456 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9909 0.9909 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2822-0.3247 ( 869 PWs) bands (ev): -25.3041 -25.3041 -11.2658 -11.2658 -6.4406 -6.4406 -5.0814 -5.0814 -4.4029 -4.4029 1.9862 1.9862 2.6381 2.6381 13.2162 13.2162 14.1522 14.1522 17.9387 17.9387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1514-0.2409 ( 863 PWs) bands (ev): -25.3980 -25.3980 -11.4545 -11.4545 -6.3005 -6.3005 -4.8013 -4.8013 -4.2611 -4.2611 2.3703 2.3703 2.8125 2.8125 12.2523 12.2523 14.2940 14.2940 17.6065 17.6065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1514-0.0969 ( 860 PWs) bands (ev): -25.4574 -25.4574 -11.6157 -11.6157 -6.1813 -6.1813 -4.5981 -4.5981 -4.1364 -4.1364 2.6983 2.6983 2.8835 2.8835 11.6529 11.6529 14.1755 14.1755 16.9306 16.9306 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1514 0.0471 ( 863 PWs) bands (ev): -25.4743 -25.4743 -11.7545 -11.7545 -6.0252 -6.0252 -4.4397 -4.4397 -4.1603 -4.1603 2.6894 2.6894 3.0528 3.0528 11.3713 11.3713 14.0196 14.0196 16.5802 16.5802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1514 0.1911 ( 859 PWs) bands (ev): -25.4438 -25.4438 -11.8292 -11.8292 -5.8655 -5.8655 -4.4852 -4.4852 -4.2430 -4.2430 2.4733 2.4733 3.1504 3.1504 11.4588 11.4588 13.9431 13.9431 16.5706 16.5706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1831 0.1831 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1514 0.3351 ( 860 PWs) bands (ev): -25.3749 -25.3749 -11.8190 -11.8190 -5.7594 -5.7594 -4.7109 -4.7109 -4.3594 -4.3594 2.2034 2.2034 3.0700 3.0700 11.8061 11.8061 14.1585 14.1585 16.8254 16.8254 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1514 0.4791 ( 869 PWs) bands (ev): -25.2886 -25.2886 -11.7274 -11.7274 -5.7728 -5.7728 -4.9410 -4.9410 -4.5320 -4.5320 1.9524 1.9524 2.8472 2.8472 12.2188 12.2188 14.8064 14.8064 17.1369 17.1369 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1514-0.9610 ( 866 PWs) bands (ev): -25.2118 -25.2118 -11.5810 -11.5810 -5.9175 -5.9175 -5.1069 -5.1069 -4.6766 -4.6766 1.7603 1.7603 2.5799 2.5799 12.6372 12.6372 15.6271 15.6271 16.5186 16.5186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1514-0.8170 ( 863 PWs) bands (ev): -25.1700 -25.1700 -11.4237 -11.4237 -6.1198 -6.1198 -5.1611 -5.1611 -4.7744 -4.7744 1.6390 1.6390 2.3944 2.3944 13.0779 13.0779 15.4264 15.4264 16.7124 16.7124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9867 0.9867 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1514-0.6730 ( 861 PWs) bands (ev): -25.1774 -25.1774 -11.3057 -11.3057 -6.2886 -6.2886 -5.0795 -5.0795 -4.8428 -4.8428 1.6139 1.6139 2.3705 2.3705 13.4633 13.4633 14.8133 14.8133 17.2677 17.2677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1514-0.5290 ( 869 PWs) bands (ev): -25.2314 -25.2314 -11.2675 -11.2675 -6.3719 -6.3719 -4.9878 -4.9878 -4.7647 -4.7647 1.7343 1.7343 2.4870 2.4870 13.5216 13.5216 14.4050 14.4050 17.7363 17.7363 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0756 0.0756 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1514-0.3850 ( 863 PWs) bands (ev): -25.3140 -25.3140 -11.3234 -11.3234 -6.3688 -6.3688 -4.9400 -4.9400 -4.5046 -4.5046 2.0073 2.0073 2.6646 2.6646 12.9850 12.9850 14.3393 14.3393 18.3269 18.3270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0205-0.3012 ( 866 PWs) bands (ev): -25.3924 -25.3924 -11.5486 -11.5486 -6.1839 -6.1839 -4.7059 -4.7059 -4.3279 -4.3279 2.2072 2.2072 2.9748 2.9748 12.1162 12.1162 14.3272 14.3272 17.3003 17.3003 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0205-0.1572 ( 863 PWs) bands (ev): -25.4743 -25.4743 -11.7545 -11.7545 -6.0252 -6.0252 -4.4397 -4.4397 -4.1603 -4.1603 2.6894 2.6894 3.0528 3.0528 11.3713 11.3713 14.0196 14.0196 16.5802 16.5802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0205-0.0132 ( 853 PWs) bands (ev): -25.5175 -25.5175 -11.9423 -11.9423 -5.8450 -5.8450 -4.2348 -4.2348 -4.0715 -4.0715 3.0331 3.0331 3.0669 3.0669 10.8761 10.8761 13.6314 13.6314 16.1891 16.1891 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0205 0.1309 ( 849 PWs) bands (ev): -25.5096 -25.5096 -12.0570 -12.0570 -5.6553 -5.6553 -4.1895 -4.1895 -4.1305 -4.1305 2.9425 2.9425 3.1970 3.1970 10.8149 10.8149 13.3467 13.3467 16.1464 16.1464 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0205 0.2749 ( 860 PWs) bands (ev): -25.4528 -25.4528 -12.0683 -12.0683 -5.5002 -5.5002 -4.4669 -4.4669 -4.1884 -4.1884 2.7277 2.7277 3.1271 3.1271 11.1596 11.1596 13.3963 13.3963 16.3582 16.3582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0205 0.4189 ( 861 PWs) bands (ev): -25.3640 -25.3640 -11.9734 -11.9734 -5.4931 -5.4931 -4.8084 -4.8084 -4.3054 -4.3054 2.3977 2.3977 2.9476 2.9476 11.6736 11.6736 13.9657 13.9657 16.6629 16.6629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9830 0.9830 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0205-1.0212 ( 870 PWs) bands (ev): -25.2702 -25.2702 -11.7976 -11.7976 -5.7785 -5.7785 -4.9441 -4.9441 -4.4430 -4.4430 1.9887 1.9887 2.7818 2.7818 12.1984 12.1984 14.9414 14.9414 16.4450 16.4450 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0205-0.8772 ( 870 PWs) bands (ev): -25.2018 -25.2018 -11.5909 -11.5909 -6.1349 -6.1349 -4.9707 -4.9707 -4.5566 -4.5566 1.6136 1.6136 2.6879 2.6879 12.7362 12.7362 15.4726 15.4726 16.0217 16.0217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0205-0.7332 ( 865 PWs) bands (ev): -25.1819 -25.1819 -11.4190 -11.4190 -6.3575 -6.3575 -4.9887 -4.9887 -4.6183 -4.6183 1.4051 1.4051 2.6784 2.6784 13.1998 13.1998 14.8207 14.8207 16.7155 16.7155 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0205-0.5892 ( 871 PWs) bands (ev): -25.2177 -25.2177 -11.3431 -11.3431 -6.4046 -6.4046 -4.9866 -4.9866 -4.6006 -4.6006 1.4497 1.4497 2.7436 2.7436 13.2943 13.2943 14.5043 14.5043 17.2442 17.2442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0205-0.4452 ( 865 PWs) bands (ev): -25.2967 -25.2967 -11.3926 -11.3926 -6.3217 -6.3217 -4.9077 -4.9077 -4.4936 -4.4936 1.7468 1.7468 2.8562 2.8562 12.8443 12.8443 14.4621 14.4621 17.7224 17.7224 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1103-0.3614 ( 861 PWs) bands (ev): -25.3501 -25.3501 -11.6006 -11.6006 -6.0892 -6.0892 -4.7779 -4.7779 -4.3734 -4.3734 1.9287 1.9287 3.0618 3.0618 12.2039 12.2039 14.3957 14.3957 17.2451 17.2451 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1103-0.2174 ( 859 PWs) bands (ev): -25.4438 -25.4438 -11.8292 -11.8292 -5.8655 -5.8655 -4.4852 -4.4852 -4.2430 -4.2430 2.4733 2.4733 3.1504 3.1504 11.4588 11.4588 13.9431 13.9431 16.5706 16.5706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1831 0.1831 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1103-0.0734 ( 849 PWs) bands (ev): -25.5096 -25.5096 -12.0570 -12.0570 -5.6553 -5.6553 -4.1895 -4.1895 -4.1305 -4.1305 2.9425 2.9425 3.1970 3.1970 10.8149 10.8149 13.3467 13.3467 16.1464 16.1464 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1103 0.0706 ( 854 PWs) bands (ev): -25.5281 -25.5281 -12.2164 -12.2164 -5.4546 -5.4546 -4.0925 -4.0925 -4.0672 -4.0672 3.1675 3.1675 3.1996 3.1996 10.5350 10.5350 12.8675 12.8675 16.0372 16.0372 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1103 0.2146 ( 855 PWs) bands (ev): -25.4940 -25.4940 -12.2657 -12.2657 -5.2843 -5.2843 -4.2620 -4.2620 -4.1013 -4.1013 3.0975 3.0975 3.1298 3.1298 10.7257 10.7257 12.7382 12.7382 16.1791 16.1791 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1103 0.3586 ( 861 PWs) bands (ev): -25.4174 -25.4174 -12.1929 -12.1929 -5.2317 -5.2317 -4.6186 -4.6186 -4.1921 -4.1921 2.7533 2.7533 3.0185 3.0185 11.2206 11.2206 13.1478 13.1478 16.4634 16.4634 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1103-1.0815 ( 865 PWs) bands (ev): -25.3211 -25.3211 -12.0160 -12.0160 -5.5257 -5.5257 -4.7930 -4.7930 -4.3190 -4.3190 2.2359 2.2359 2.9198 2.9198 11.7848 11.7848 14.0726 14.0726 16.5808 16.5808 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1103-0.9375 ( 872 PWs) bands (ev): -25.2352 -25.2352 -11.7824 -11.7824 -5.9782 -5.9782 -4.8218 -4.8218 -4.4412 -4.4412 1.7183 1.7183 2.8528 2.8528 12.3684 12.3684 15.0140 15.0140 16.0720 16.0720 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1103-0.7935 ( 870 PWs) bands (ev): -25.1883 -25.1883 -11.5632 -11.5632 -6.2987 -6.2987 -4.8681 -4.8681 -4.5215 -4.5215 1.3575 1.3575 2.8371 2.8371 12.8933 12.8933 14.8799 14.8799 16.3614 16.3614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1103-0.6494 ( 868 PWs) bands (ev): -25.1968 -25.1968 -11.4355 -11.4355 -6.4009 -6.4009 -4.9250 -4.9250 -4.5365 -4.5365 1.2677 1.2677 2.8769 2.8769 13.1029 13.1029 14.5865 14.5865 16.8893 16.8893 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1103-0.5054 ( 865 PWs) bands (ev): -25.2577 -25.2577 -11.4498 -11.4498 -6.3004 -6.3004 -4.9229 -4.9229 -4.4820 -4.4820 1.4802 1.4802 2.9601 2.9601 12.8143 12.8143 14.5543 14.5543 17.3332 17.3332 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2411-0.4217 ( 867 PWs) bands (ev): -25.2841 -25.2841 -11.5953 -11.5953 -6.0370 -6.0370 -4.8666 -4.8666 -4.5352 -4.5352 1.6903 1.6903 2.9768 2.9768 12.4326 12.4326 14.6568 14.6568 17.4412 17.4412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2411-0.2776 ( 860 PWs) bands (ev): -25.3749 -25.3749 -11.8190 -11.8190 -5.7594 -5.7594 -4.7109 -4.7109 -4.3594 -4.3594 2.2034 2.2034 3.0700 3.0700 11.8061 11.8061 14.1585 14.1585 16.8254 16.8254 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2411-0.1336 ( 860 PWs) bands (ev): -25.4528 -25.4528 -12.0683 -12.0683 -5.5002 -5.5002 -4.4669 -4.4669 -4.1884 -4.1884 2.7277 2.7277 3.1271 3.1271 11.1596 11.1596 13.3963 13.3963 16.3582 16.3582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2411 0.0104 ( 855 PWs) bands (ev): -25.4940 -25.4940 -12.2657 -12.2657 -5.2843 -5.2843 -4.2620 -4.2620 -4.1013 -4.1013 3.0975 3.0975 3.1298 3.1298 10.7257 10.7257 12.7382 12.7382 16.1791 16.1791 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2411 0.1544 ( 861 PWs) bands (ev): -25.4867 -25.4867 -12.3584 -12.3584 -5.1192 -5.1192 -4.2189 -4.2189 -4.1549 -4.1549 3.0059 3.0059 3.2571 3.2571 10.6891 10.6891 12.4385 12.4385 16.2285 16.2285 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2411 0.2984 ( 860 PWs) bands (ev): -25.4329 -25.4329 -12.3240 -12.3240 -5.0603 -5.0603 -4.4602 -4.4602 -4.2188 -4.2188 2.7672 2.7672 3.1778 3.1778 11.0180 11.0180 12.6791 12.6791 16.4386 16.4386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2411-1.1417 ( 864 PWs) bands (ev): -25.3487 -25.3487 -12.1707 -12.1707 -5.2844 -5.2844 -4.6473 -4.6473 -4.3473 -4.3473 2.3600 2.3600 3.0230 3.0230 11.5169 11.5169 13.5101 13.5101 16.6270 16.6270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9989 0.9989 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2411-0.9977 ( 873 PWs) bands (ev): -25.2596 -25.2596 -11.9376 -11.9376 -5.7192 -5.7192 -4.7092 -4.7092 -4.4956 -4.4956 1.8652 1.8652 2.8974 2.8974 12.0832 12.0832 14.6283 14.6283 16.3118 16.3118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2411-0.8537 ( 876 PWs) bands (ev): -25.1946 -25.1946 -11.6917 -11.6917 -6.0903 -6.0903 -4.7745 -4.7745 -4.6190 -4.6190 1.4469 1.4469 2.8305 2.8305 12.6316 12.6316 15.1245 15.1245 16.1952 16.1952 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2411-0.7097 ( 871 PWs) bands (ev): -25.1755 -25.1755 -11.5158 -11.5158 -6.2750 -6.2750 -4.8434 -4.8434 -4.6877 -4.6877 1.2475 1.2475 2.8290 2.8290 12.9611 12.9611 14.8428 14.8428 16.7763 16.7763 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2411-0.5657 ( 864 PWs) bands (ev): -25.2092 -25.2092 -11.4784 -11.4784 -6.2425 -6.2425 -4.8949 -4.8949 -4.6580 -4.6580 1.3368 1.3368 2.8853 2.8853 12.8704 12.8704 14.7712 14.7712 17.1997 17.1997 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3719-0.4819 ( 871 PWs) bands (ev): -25.2148 -25.2148 -11.5358 -11.5358 -5.9853 -5.9853 -5.0001 -5.0001 -4.7653 -4.7653 1.5710 1.5710 2.7304 2.7304 12.6895 12.6895 15.1693 15.1693 17.4071 17.4071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3719-0.3379 ( 869 PWs) bands (ev): -25.2886 -25.2886 -11.7274 -11.7274 -5.7728 -5.7728 -4.9410 -4.9410 -4.5320 -4.5320 1.9524 1.9524 2.8472 2.8472 12.2188 12.2188 14.8064 14.8064 17.1369 17.1369 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3719-0.1939 ( 861 PWs) bands (ev): -25.3640 -25.3640 -11.9734 -11.9734 -5.4931 -5.4931 -4.8084 -4.8084 -4.3054 -4.3054 2.3977 2.3977 2.9476 2.9476 11.6736 11.6736 13.9657 13.9657 16.6629 16.6629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9830 0.9830 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3719-0.0499 ( 861 PWs) bands (ev): -25.4174 -25.4174 -12.1929 -12.1929 -5.2317 -5.2317 -4.6186 -4.6186 -4.1921 -4.1921 2.7533 2.7533 3.0185 3.0185 11.2206 11.2206 13.1478 13.1478 16.4634 16.4634 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3719 0.0942 ( 860 PWs) bands (ev): -25.4329 -25.4329 -12.3240 -12.3240 -5.0603 -5.0603 -4.4602 -4.4602 -4.2188 -4.2188 2.7672 2.7672 3.1778 3.1778 11.0180 11.0180 12.6791 12.6791 16.4386 16.4386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3719 0.2382 ( 858 PWs) bands (ev): -25.4060 -25.4060 -12.3340 -12.3340 -5.0414 -5.0414 -4.4762 -4.4762 -4.2786 -4.2786 2.5626 2.5626 3.2403 3.2403 11.1226 11.1226 12.7206 12.7206 16.5469 16.5469 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3719-1.2020 ( 862 PWs) bands (ev): -25.3446 -25.3446 -12.2208 -12.2208 -5.2398 -5.2398 -4.5484 -4.5484 -4.3998 -4.3998 2.2557 2.2557 3.1305 3.1305 11.4666 11.4666 13.3449 13.3449 16.6685 16.6685 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3719-1.0579 ( 870 PWs) bands (ev): -25.2673 -25.2673 -12.0126 -12.0126 -5.5512 -5.5512 -4.6471 -4.6471 -4.5816 -4.5816 1.8996 1.8996 2.9314 2.9314 11.9535 11.9535 14.4327 14.4327 16.4568 16.4568 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3719-0.9139 ( 871 PWs) bands (ev): -25.1984 -25.1984 -11.7664 -11.7664 -5.8347 -5.8347 -4.8784 -4.8784 -4.6721 -4.6721 1.5677 1.5677 2.7503 2.7503 12.4753 12.4753 15.5109 15.5109 16.0345 16.0345 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3719-0.7699 ( 866 PWs) bands (ev): -25.1606 -25.1606 -11.5607 -11.5607 -6.0200 -6.0200 -5.0267 -5.0267 -4.7773 -4.7773 1.3594 1.3594 2.6516 2.6516 12.8660 12.8660 15.3075 15.3075 16.7555 16.7555 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3719-0.6259 ( 869 PWs) bands (ev): -25.1668 -25.1668 -11.4715 -11.4715 -6.0738 -6.0738 -5.0377 -5.0377 -4.8513 -4.8513 1.3552 1.3552 2.6511 2.6511 12.9450 12.9450 15.1782 15.1782 17.2038 17.2038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9362 0.1205 ( 871 PWs) bands (ev): -25.1646 -25.1646 -11.4411 -11.4411 -5.8923 -5.8923 -5.3281 -5.3281 -4.8432 -4.8432 1.6024 1.6024 2.3969 2.3969 12.9622 12.9622 15.5451 15.5451 17.1338 17.1338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9840 0.9840 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9362 0.2645 ( 866 PWs) bands (ev): -25.2118 -25.2118 -11.5810 -11.5810 -5.9175 -5.9175 -5.1069 -5.1069 -4.6766 -4.6766 1.7603 1.7603 2.5799 2.5799 12.6372 12.6372 15.6271 15.6271 16.5186 16.5186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9362 0.4085 ( 870 PWs) bands (ev): -25.2702 -25.2702 -11.7976 -11.7976 -5.7785 -5.7785 -4.9441 -4.9441 -4.4430 -4.4430 1.9887 1.9887 2.7818 2.7818 12.1984 12.1984 14.9414 14.9414 16.4450 16.4450 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9362 0.5525 ( 865 PWs) bands (ev): -25.3211 -25.3211 -12.0160 -12.0160 -5.5257 -5.5257 -4.7930 -4.7930 -4.3190 -4.3190 2.2359 2.2359 2.9198 2.9198 11.7848 11.7848 14.0726 14.0726 16.5808 16.5808 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9362 0.6965 ( 864 PWs) bands (ev): -25.3487 -25.3487 -12.1707 -12.1707 -5.2844 -5.2844 -4.6473 -4.6473 -4.3473 -4.3473 2.3600 2.3600 3.0230 3.0230 11.5169 11.5169 13.5101 13.5101 16.6270 16.6270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9989 0.9989 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9362 0.8405 ( 862 PWs) bands (ev): -25.3446 -25.3446 -12.2208 -12.2208 -5.2398 -5.2398 -4.5484 -4.5484 -4.3998 -4.3998 2.2557 2.2557 3.1305 3.1305 11.4666 11.4666 13.3449 13.3449 16.6685 16.6685 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9362-0.5996 ( 862 PWs) bands (ev): -25.3101 -25.3101 -12.1542 -12.1542 -5.4320 -5.4320 -4.5530 -4.5530 -4.4049 -4.4049 2.0157 2.0157 3.1415 3.1415 11.6507 11.6507 13.6315 13.6315 16.6693 16.6693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9362-0.4556 ( 870 PWs) bands (ev): -25.2557 -25.2557 -11.9878 -11.9878 -5.6794 -5.6794 -4.6062 -4.6062 -4.5473 -4.5473 1.7595 1.7595 2.9997 2.9997 12.0213 12.0213 14.3946 14.3946 16.4532 16.4532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9362-0.3116 ( 871 PWs) bands (ev): -25.1984 -25.1984 -11.7664 -11.7664 -5.8347 -5.8347 -4.8784 -4.8784 -4.6721 -4.6721 1.5677 1.5677 2.7503 2.7503 12.4753 12.4753 15.5109 15.5109 16.0345 16.0345 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9362-0.1675 ( 868 PWs) bands (ev): -25.1566 -25.1566 -11.5569 -11.5569 -5.8401 -5.8401 -5.2553 -5.2553 -4.7752 -4.7752 1.4845 1.4845 2.4971 2.4971 12.8707 12.8707 15.6284 15.6284 16.6772 16.6772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0375 0.0375 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9362-0.0235 ( 868 PWs) bands (ev): -25.1439 -25.1439 -11.4321 -11.4321 -5.7752 -5.7752 -5.4975 -5.4975 -4.8540 -4.8540 1.5079 1.5079 2.3550 2.3550 13.0571 13.0571 15.4737 15.4737 17.2734 17.2734 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9993 0.9993 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.8054 0.0602 ( 871 PWs) bands (ev): -25.1500 -25.1500 -11.3398 -11.3398 -5.9675 -5.9675 -5.3975 -5.3975 -4.9052 -4.9052 1.7770 1.7770 2.0836 2.0836 13.2698 13.2698 15.3374 15.3374 17.3470 17.3470 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.8054 0.2042 ( 863 PWs) bands (ev): -25.1700 -25.1700 -11.4237 -11.4237 -6.1198 -6.1198 -5.1611 -5.1611 -4.7744 -4.7744 1.6390 1.6390 2.3944 2.3944 13.0779 13.0779 15.4264 15.4264 16.7124 16.7124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9867 0.9867 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.8054 0.3483 ( 870 PWs) bands (ev): -25.2018 -25.2018 -11.5909 -11.5909 -6.1349 -6.1349 -4.9707 -4.9707 -4.5566 -4.5566 1.6136 1.6136 2.6879 2.6879 12.7362 12.7362 15.4726 15.4726 16.0217 16.0217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.8054 0.4923 ( 872 PWs) bands (ev): -25.2352 -25.2352 -11.7824 -11.7824 -5.9782 -5.9782 -4.8218 -4.8218 -4.4412 -4.4412 1.7183 1.7183 2.8528 2.8528 12.3684 12.3684 15.0140 15.0140 16.0720 16.0720 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.8054 0.6363 ( 873 PWs) bands (ev): -25.2596 -25.2596 -11.9376 -11.9376 -5.7192 -5.7192 -4.7092 -4.7092 -4.4956 -4.4956 1.8652 1.8652 2.8974 2.8974 12.0832 12.0832 14.6283 14.6283 16.3118 16.3118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.8054 0.7803 ( 870 PWs) bands (ev): -25.2673 -25.2673 -12.0126 -12.0126 -5.5512 -5.5512 -4.6471 -4.6471 -4.5816 -4.5816 1.8996 1.8996 2.9314 2.9314 11.9535 11.9535 14.4327 14.4327 16.4568 16.4568 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.8054-0.6598 ( 870 PWs) bands (ev): -25.2557 -25.2557 -11.9878 -11.9878 -5.6794 -5.6794 -4.6062 -4.6062 -4.5473 -4.5473 1.7595 1.7595 2.9997 2.9997 12.0213 12.0213 14.3946 14.3946 16.4532 16.4532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.8054-0.5158 ( 871 PWs) bands (ev): -25.2286 -25.2286 -11.8702 -11.8702 -5.9279 -5.9279 -4.6606 -4.6606 -4.4948 -4.4948 1.5660 1.5660 2.9916 2.9916 12.2719 12.2719 14.6161 14.6161 16.3123 16.3123 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.8054-0.3718 ( 876 PWs) bands (ev): -25.1946 -25.1946 -11.6917 -11.6917 -6.0903 -6.0903 -4.7745 -4.7745 -4.6190 -4.6190 1.4469 1.4469 2.8305 2.8305 12.6316 12.6316 15.1245 15.1245 16.1952 16.1952 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.8054-0.2278 ( 867 PWs) bands (ev): -25.1645 -25.1645 -11.5048 -11.5048 -6.0913 -6.0913 -5.0204 -5.0204 -4.8024 -4.8024 1.4731 1.4731 2.5361 2.5361 12.9946 12.9946 15.3912 15.3912 16.6314 16.6314 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0022 0.0022 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.8054-0.0838 ( 867 PWs) bands (ev): -25.1479 -25.1479 -11.3711 -11.3711 -5.9606 -5.9606 -5.3558 -5.3558 -4.9000 -4.9000 1.6513 1.6513 2.1991 2.1991 13.2383 13.2383 15.3425 15.3425 17.3176 17.3176 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6746 0.0000 ( 876 PWs) bands (ev): -25.1758 -25.1758 -11.2627 -11.2627 -6.2263 -6.2263 -5.1001 -5.1001 -4.9838 -4.9838 1.8657 1.8657 2.0784 2.0784 13.5683 13.5683 14.8098 14.8098 17.5931 17.5931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6746 0.1440 ( 861 PWs) bands (ev): -25.1774 -25.1774 -11.3057 -11.3057 -6.2886 -6.2886 -5.0795 -5.0795 -4.8428 -4.8428 1.6139 1.6139 2.3705 2.3705 13.4633 13.4633 14.8133 14.8133 17.2677 17.2677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6746 0.2880 ( 865 PWs) bands (ev): -25.1819 -25.1819 -11.4190 -11.4190 -6.3575 -6.3575 -4.9887 -4.9887 -4.6183 -4.6183 1.4051 1.4051 2.6784 2.6784 13.1998 13.1998 14.8207 14.8207 16.7155 16.7155 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6746 0.4320 ( 870 PWs) bands (ev): -25.1883 -25.1883 -11.5632 -11.5632 -6.2987 -6.2987 -4.8681 -4.8681 -4.5215 -4.5215 1.3575 1.3575 2.8371 2.8371 12.8933 12.8933 14.8799 14.8799 16.3614 16.3614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6746 0.5760 ( 876 PWs) bands (ev): -25.1946 -25.1946 -11.6917 -11.6917 -6.0903 -6.0903 -4.7745 -4.7745 -4.6190 -4.6190 1.4469 1.4469 2.8305 2.8305 12.6316 12.6316 15.1245 15.1245 16.1952 16.1952 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6746 0.7201 ( 871 PWs) bands (ev): -25.1984 -25.1984 -11.7664 -11.7664 -5.8347 -5.8347 -4.8784 -4.8784 -4.6721 -4.6721 1.5677 1.5677 2.7503 2.7503 12.4753 12.4753 15.5109 15.5109 16.0345 16.0345 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6746-0.7201 ( 871 PWs) bands (ev): -25.1984 -25.1984 -11.7664 -11.7664 -5.8347 -5.8347 -4.8784 -4.8784 -4.6721 -4.6721 1.5677 1.5677 2.7503 2.7503 12.4753 12.4753 15.5109 15.5109 16.0345 16.0345 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6746-0.5760 ( 876 PWs) bands (ev): -25.1946 -25.1946 -11.6917 -11.6917 -6.0903 -6.0903 -4.7745 -4.7745 -4.6190 -4.6190 1.4469 1.4469 2.8305 2.8305 12.6316 12.6316 15.1245 15.1245 16.1952 16.1952 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6746-0.4320 ( 870 PWs) bands (ev): -25.1883 -25.1883 -11.5632 -11.5632 -6.2987 -6.2987 -4.8681 -4.8681 -4.5215 -4.5215 1.3575 1.3575 2.8371 2.8371 12.8933 12.8933 14.8799 14.8799 16.3614 16.3614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6746-0.2880 ( 865 PWs) bands (ev): -25.1819 -25.1819 -11.4190 -11.4190 -6.3575 -6.3575 -4.9887 -4.9887 -4.6183 -4.6183 1.4051 1.4051 2.6784 2.6784 13.1998 13.1998 14.8207 14.8207 16.7155 16.7155 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6746-0.1440 ( 861 PWs) bands (ev): -25.1774 -25.1774 -11.3057 -11.3057 -6.2886 -6.2886 -5.0795 -5.0795 -4.8428 -4.8428 1.6139 1.6139 2.3705 2.3705 13.4633 13.4633 14.8133 14.8133 17.2677 17.2677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5438-0.0602 ( 864 PWs) bands (ev): -25.2334 -25.2334 -11.2344 -11.2344 -6.3937 -6.3937 -5.0768 -5.0768 -4.7092 -4.7092 1.8432 1.8432 2.3891 2.3891 13.7019 13.7019 14.2305 14.2305 17.7456 17.7456 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9909 0.9909 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5438 0.0838 ( 869 PWs) bands (ev): -25.2314 -25.2314 -11.2675 -11.2675 -6.3719 -6.3719 -4.9878 -4.9878 -4.7647 -4.7647 1.7343 1.7343 2.4870 2.4870 13.5216 13.5216 14.4050 14.4050 17.7363 17.7363 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0756 0.0756 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5438 0.2278 ( 871 PWs) bands (ev): -25.2177 -25.2177 -11.3431 -11.3431 -6.4046 -6.4046 -4.9866 -4.9866 -4.6006 -4.6006 1.4497 1.4497 2.7436 2.7436 13.2943 13.2943 14.5043 14.5043 17.2442 17.2442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5438 0.3718 ( 868 PWs) bands (ev): -25.1968 -25.1968 -11.4355 -11.4355 -6.4009 -6.4009 -4.9250 -4.9250 -4.5365 -4.5365 1.2677 1.2677 2.8769 2.8769 13.1029 13.1029 14.5865 14.5865 16.8893 16.8893 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5438 0.5158 ( 871 PWs) bands (ev): -25.1755 -25.1755 -11.5158 -11.5158 -6.2750 -6.2750 -4.8434 -4.8434 -4.6877 -4.6877 1.2475 1.2475 2.8290 2.8290 12.9611 12.9611 14.8428 14.8428 16.7763 16.7763 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5438 0.6598 ( 866 PWs) bands (ev): -25.1606 -25.1606 -11.5607 -11.5607 -6.0200 -6.0200 -5.0267 -5.0267 -4.7773 -4.7773 1.3594 1.3594 2.6516 2.6516 12.8660 12.8660 15.3075 15.3075 16.7555 16.7555 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5438-0.7803 ( 868 PWs) bands (ev): -25.1566 -25.1566 -11.5569 -11.5569 -5.8401 -5.8401 -5.2553 -5.2553 -4.7752 -4.7752 1.4845 1.4845 2.4971 2.4971 12.8707 12.8707 15.6284 15.6284 16.6772 16.6772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0375 0.0375 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5438-0.6363 ( 867 PWs) bands (ev): -25.1645 -25.1645 -11.5048 -11.5048 -6.0913 -6.0913 -5.0204 -5.0204 -4.8024 -4.8024 1.4731 1.4731 2.5361 2.5361 12.9946 12.9946 15.3912 15.3912 16.6314 16.6314 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0022 0.0022 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5438-0.4923 ( 865 PWs) bands (ev): -25.1819 -25.1819 -11.4190 -11.4190 -6.3575 -6.3575 -4.9887 -4.9887 -4.6183 -4.6183 1.4051 1.4051 2.6784 2.6784 13.1998 13.1998 14.8207 14.8207 16.7155 16.7155 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5438-0.3483 ( 868 PWs) bands (ev): -25.2037 -25.2037 -11.3260 -11.3260 -6.4777 -6.4777 -5.0888 -5.0888 -4.4777 -4.4777 1.4397 1.4397 2.7258 2.7258 13.4446 13.4446 14.3696 14.3696 16.9258 16.9258 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5438-0.2042 ( 869 PWs) bands (ev): -25.2230 -25.2230 -11.2563 -11.2563 -6.4615 -6.4615 -5.1385 -5.1385 -4.5367 -4.5367 1.6188 1.6188 2.5991 2.5991 13.6830 13.6830 14.1547 14.1547 17.2993 17.2993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4130-0.1205 ( 869 PWs) bands (ev): -25.3041 -25.3041 -11.2658 -11.2658 -6.4406 -6.4406 -5.0814 -5.0814 -4.4029 -4.4029 1.9862 1.9862 2.6381 2.6381 13.2162 13.2162 14.1522 14.1522 17.9387 17.9387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4130 0.0235 ( 863 PWs) bands (ev): -25.3140 -25.3140 -11.3234 -11.3234 -6.3688 -6.3688 -4.9400 -4.9400 -4.5046 -4.5046 2.0073 2.0073 2.6646 2.6646 12.9850 12.9850 14.3393 14.3393 18.3269 18.3269 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4130 0.1675 ( 865 PWs) bands (ev): -25.2967 -25.2967 -11.3926 -11.3926 -6.3217 -6.3217 -4.9077 -4.9077 -4.4936 -4.4936 1.7468 1.7468 2.8562 2.8562 12.8443 12.8443 14.4621 14.4621 17.7224 17.7224 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4130 0.3116 ( 865 PWs) bands (ev): -25.2577 -25.2577 -11.4498 -11.4498 -6.3004 -6.3004 -4.9229 -4.9229 -4.4820 -4.4820 1.4802 1.4802 2.9601 2.9601 12.8143 12.8143 14.5543 14.5543 17.3332 17.3332 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4130 0.4556 ( 864 PWs) bands (ev): -25.2092 -25.2092 -11.4784 -11.4784 -6.2425 -6.2425 -4.8949 -4.8949 -4.6580 -4.6580 1.3368 1.3368 2.8853 2.8853 12.8704 12.8704 14.7712 14.7712 17.1997 17.1997 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4130 0.5996 ( 869 PWs) bands (ev): -25.1668 -25.1668 -11.4715 -11.4715 -6.0738 -6.0738 -5.0377 -5.0377 -4.8513 -4.8513 1.3552 1.3552 2.6511 2.6511 12.9450 12.9450 15.1782 15.1782 17.2038 17.2038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4130-0.8405 ( 868 PWs) bands (ev): -25.1439 -25.1439 -11.4321 -11.4321 -5.7752 -5.7752 -5.4975 -5.4975 -4.8540 -4.8540 1.5079 1.5079 2.3550 2.3550 13.0571 13.0571 15.4737 15.4737 17.2734 17.2734 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9993 0.9993 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4130-0.6965 ( 867 PWs) bands (ev): -25.1479 -25.1479 -11.3711 -11.3711 -5.9606 -5.9606 -5.3558 -5.3558 -4.9000 -4.9000 1.6513 1.6513 2.1991 2.1991 13.2383 13.2383 15.3425 15.3425 17.3176 17.3176 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4130-0.5525 ( 861 PWs) bands (ev): -25.1774 -25.1774 -11.3057 -11.3057 -6.2886 -6.2886 -5.0795 -5.0795 -4.8428 -4.8428 1.6139 1.6139 2.3705 2.3705 13.4633 13.4633 14.8133 14.8133 17.2677 17.2677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4130-0.4085 ( 869 PWs) bands (ev): -25.2230 -25.2230 -11.2563 -11.2563 -6.4615 -6.4615 -5.1385 -5.1385 -4.5367 -4.5367 1.6188 1.6188 2.5991 2.5991 13.6830 13.6830 14.1547 14.1547 17.2993 17.2993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4130-0.2645 ( 874 PWs) bands (ev): -25.2702 -25.2702 -11.2406 -11.2406 -6.4930 -6.4930 -5.1642 -5.1642 -4.3771 -4.3771 1.7661 1.7661 2.6934 2.6934 13.5649 13.5649 13.9466 13.9466 17.5172 17.5172 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3762-0.2409 ( 872 PWs) bands (ev): -25.2670 -25.2670 -11.3014 -11.3014 -6.3420 -6.3420 -5.2887 -5.2887 -4.3494 -4.3494 1.9088 1.9088 2.6250 2.6250 13.0656 13.0656 14.5602 14.5602 17.0715 17.0715 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3762-0.0969 ( 869 PWs) bands (ev): -25.2966 -25.2966 -11.3984 -11.3984 -6.2085 -6.2085 -5.1671 -5.1671 -4.3856 -4.3856 2.0684 2.0684 2.6279 2.6279 12.7642 12.7642 14.6639 14.6639 17.4455 17.4455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3762 0.0471 ( 864 PWs) bands (ev): -25.3030 -25.3030 -11.5086 -11.5086 -6.0815 -6.0815 -4.9735 -4.9735 -4.5082 -4.5082 1.9753 1.9753 2.7625 2.7625 12.5464 12.5464 14.7275 14.7275 17.7571 17.7579 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3762 0.1911 ( 867 PWs) bands (ev): -25.2841 -25.2841 -11.5953 -11.5953 -6.0370 -6.0370 -4.8666 -4.8666 -4.5352 -4.5352 1.6903 1.6903 2.9768 2.9768 12.4326 12.4326 14.6568 14.6568 17.4412 17.4412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3762 0.3351 ( 870 PWs) bands (ev): -25.2458 -25.2458 -11.6330 -11.6330 -6.0670 -6.0670 -4.8539 -4.8539 -4.5252 -4.5252 1.4287 1.4287 3.0737 3.0737 12.4527 12.4527 14.5744 14.5744 17.4122 17.4122 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3762 0.4791 ( 867 PWs) bands (ev): -25.2002 -25.2002 -11.6130 -11.6130 -6.0718 -6.0718 -4.8405 -4.8405 -4.6935 -4.6935 1.2920 1.2920 2.9793 2.9793 12.5957 12.5957 14.7167 14.7167 17.5766 17.5766 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3762-0.9610 ( 868 PWs) bands (ev): -25.1620 -25.1620 -11.5427 -11.5427 -5.9615 -5.9615 -5.0760 -5.0760 -4.8259 -4.8259 1.3190 1.3190 2.7122 2.7122 12.8044 12.8044 15.0891 15.0891 17.6903 17.6903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3762-0.8170 ( 870 PWs) bands (ev): -25.1433 -25.1433 -11.4420 -11.4420 -5.7208 -5.7208 -5.5294 -5.5294 -4.8654 -4.8654 1.5048 1.5048 2.3643 2.3643 13.0441 13.0441 15.3708 15.3708 17.6433 17.6433 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9985 0.9985 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3762-0.6730 ( 871 PWs) bands (ev): -25.1500 -25.1500 -11.3398 -11.3398 -5.9675 -5.9675 -5.3975 -5.3975 -4.9052 -4.9052 1.7770 1.7770 2.0836 2.0836 13.2698 13.2698 15.3374 15.3374 17.3469 17.3470 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3762-0.5290 ( 864 PWs) bands (ev): -25.1799 -25.1799 -11.2679 -11.2679 -6.2630 -6.2630 -5.2637 -5.2637 -4.7588 -4.7588 1.7859 1.7859 2.2333 2.2333 13.4064 13.4064 15.0034 15.0034 17.0056 17.0056 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3762-0.3850 ( 872 PWs) bands (ev): -25.2235 -25.2235 -11.2524 -11.2524 -6.3835 -6.3835 -5.3000 -5.3000 -4.4896 -4.4896 1.7765 1.7765 2.5029 2.5029 13.3470 13.3470 14.6353 14.6353 16.9146 16.9146 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0248 0.0248 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2454-0.3012 ( 869 PWs) bands (ev): -25.2966 -25.2966 -11.3984 -11.3984 -6.2085 -6.2085 -5.1671 -5.1671 -4.3856 -4.3856 2.0684 2.0684 2.6279 2.6279 12.7642 12.7642 14.6639 14.6639 17.4455 17.4455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2454-0.1572 ( 871 PWs) bands (ev): -25.3533 -25.3533 -11.5532 -11.5532 -6.0630 -6.0630 -5.0411 -5.0411 -4.2484 -4.2484 2.3178 2.3178 2.7461 2.7461 12.2786 12.2786 14.4932 14.4932 17.2556 17.2556 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2454-0.0132 ( 864 PWs) bands (ev): -25.3824 -25.3824 -11.7097 -11.7097 -5.8916 -5.8916 -4.8432 -4.8432 -4.2729 -4.2729 2.3978 2.3978 2.8739 2.8739 11.9348 11.9348 14.3131 14.3131 16.9209 16.9209 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9829 0.9829 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2454 0.1309 ( 860 PWs) bands (ev): -25.3749 -25.3749 -11.8190 -11.8190 -5.7594 -5.7594 -4.7109 -4.7109 -4.3594 -4.3594 2.2034 2.2034 3.0700 3.0700 11.8061 11.8061 14.1585 14.1585 16.8254 16.8254 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2454 0.2749 ( 863 PWs) bands (ev): -25.3333 -25.3333 -11.8501 -11.8501 -5.7237 -5.7237 -4.7450 -4.7450 -4.4083 -4.4083 1.9242 1.9242 3.1523 3.1523 11.8962 11.8962 14.1791 14.1791 16.9658 16.9658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2454 0.4189 ( 868 PWs) bands (ev): -25.2703 -25.2703 -11.7958 -11.7958 -5.7825 -5.7825 -4.7977 -4.7977 -4.5640 -4.5640 1.6812 1.6812 3.0494 3.0494 12.1548 12.1548 14.5375 14.5375 17.2372 17.2372 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2454-1.0212 ( 862 PWs) bands (ev): -25.2054 -25.2054 -11.6722 -11.6722 -5.8408 -5.8408 -4.9467 -4.9467 -4.7579 -4.7579 1.5427 1.5427 2.7852 2.7852 12.5093 12.5093 15.1591 15.1591 17.1690 17.1690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2454-0.8772 ( 876 PWs) bands (ev): -25.1596 -25.1596 -11.5147 -11.5147 -5.8468 -5.8468 -5.2753 -5.2753 -4.8235 -4.8235 1.5383 1.5383 2.4558 2.4558 12.9014 12.9014 15.4954 15.4954 17.1171 17.1171 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4476 0.4476 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2454-0.7332 ( 867 PWs) bands (ev): -25.1479 -25.1479 -11.3711 -11.3711 -5.9606 -5.9606 -5.3558 -5.3558 -4.9000 -4.9000 1.6513 1.6513 2.1991 2.1991 13.2383 13.2383 15.3425 15.3425 17.3176 17.3176 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2454-0.5892 ( 867 PWs) bands (ev): -25.1742 -25.1742 -11.2888 -11.2888 -6.1664 -6.1664 -5.1999 -5.1999 -4.9097 -4.9097 1.7732 1.7732 2.1839 2.1839 13.3777 13.3777 15.0960 15.0960 17.3083 17.3083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2454-0.4452 ( 867 PWs) bands (ev): -25.2298 -25.2298 -11.2985 -11.2985 -6.2585 -6.2585 -5.1886 -5.1886 -4.6592 -4.6592 1.8734 1.8734 2.4052 2.4052 13.2041 13.2041 14.8609 14.8609 17.3125 17.3125 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9710 0.9710 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1146-0.3614 ( 864 PWs) bands (ev): -25.3030 -25.3030 -11.5086 -11.5086 -6.0815 -6.0815 -4.9735 -4.9735 -4.5082 -4.5082 1.9753 1.9753 2.7625 2.7625 12.5464 12.5464 14.7275 14.7275 17.7571 17.7576 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1146-0.2174 ( 864 PWs) bands (ev): -25.3824 -25.3824 -11.7097 -11.7097 -5.8916 -5.8916 -4.8432 -4.8432 -4.2729 -4.2729 2.3978 2.3978 2.8739 2.8739 11.9348 11.9348 14.3131 14.3131 16.9209 16.9209 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9829 0.9829 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1146-0.0734 ( 866 PWs) bands (ev): -25.4379 -25.4379 -11.9175 -11.9175 -5.6860 -5.6860 -4.6365 -4.6365 -4.1561 -4.1561 2.7554 2.7554 2.9305 2.9305 11.4103 11.4103 13.8000 13.8000 16.4747 16.4747 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1146 0.0706 ( 860 PWs) bands (ev): -25.4528 -25.4528 -12.0683 -12.0683 -5.5002 -5.5002 -4.4669 -4.4669 -4.1884 -4.1884 2.7277 2.7277 3.1271 3.1271 11.1596 11.1596 13.3963 13.3963 16.3582 16.3582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1146 0.2146 ( 862 PWs) bands (ev): -25.4229 -25.4229 -12.1214 -12.1214 -5.3777 -5.3777 -4.4990 -4.4990 -4.2707 -4.2707 2.5089 2.5089 3.2208 3.2208 11.2456 11.2456 13.3103 13.3103 16.4751 16.4751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0162 0.0162 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1146 0.3586 ( 861 PWs) bands (ev): -25.3571 -25.3571 -12.0637 -12.0637 -5.3982 -5.3982 -4.6659 -4.6659 -4.3866 -4.3866 2.2239 2.2239 3.1253 3.1253 11.5786 11.5786 13.7154 13.7154 16.7070 16.7070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1146-1.0815 ( 869 PWs) bands (ev): -25.2752 -25.2752 -11.9104 -11.9104 -5.6001 -5.6001 -4.7893 -4.7893 -4.5659 -4.5659 1.9260 1.9260 2.9025 2.9025 12.0302 12.0302 14.6134 14.6134 16.6908 16.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1146-0.9375 ( 872 PWs) bands (ev): -25.2031 -25.2031 -11.7033 -11.7033 -5.8675 -5.8675 -4.9299 -4.9299 -4.6992 -4.6992 1.6566 1.6566 2.6716 2.6716 12.5360 12.5360 15.6869 15.6869 16.0683 16.0683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1146-0.7935 ( 867 PWs) bands (ev): -25.1645 -25.1645 -11.5048 -11.5048 -6.0913 -6.0913 -5.0204 -5.0204 -4.8024 -4.8024 1.4731 1.4731 2.5361 2.5361 12.9946 12.9946 15.3912 15.3912 16.6314 16.6314 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0022 0.0022 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1146-0.6494 ( 865 PWs) bands (ev): -25.1725 -25.1725 -11.3827 -11.3827 -6.2125 -6.2125 -4.9699 -4.9699 -4.9065 -4.9065 1.4514 1.4514 2.5288 2.5288 13.2083 13.2083 15.0627 15.0627 17.1038 17.1038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0038 0.0038 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1146-0.5054 ( 868 PWs) bands (ev): -25.2245 -25.2245 -11.3838 -11.3838 -6.2046 -6.2046 -4.9881 -4.9881 -4.7706 -4.7706 1.6300 1.6300 2.6237 2.6237 13.0307 13.0307 14.9342 14.9342 17.4350 17.4350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0162-0.4217 ( 867 PWs) bands (ev): -25.2841 -25.2841 -11.5953 -11.5953 -6.0370 -6.0370 -4.8666 -4.8666 -4.5352 -4.5352 1.6903 1.6903 2.9768 2.9768 12.4326 12.4326 14.6568 14.6568 17.4412 17.4412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0162-0.2776 ( 860 PWs) bands (ev): -25.3749 -25.3749 -11.8190 -11.8190 -5.7594 -5.7594 -4.7109 -4.7109 -4.3594 -4.3594 2.2034 2.2034 3.0700 3.0700 11.8061 11.8061 14.1585 14.1585 16.8254 16.8254 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0162-0.1336 ( 860 PWs) bands (ev): -25.4528 -25.4528 -12.0683 -12.0683 -5.5002 -5.5002 -4.4669 -4.4669 -4.1884 -4.1884 2.7277 2.7277 3.1271 3.1271 11.1596 11.1596 13.3963 13.3963 16.3582 16.3582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0162 0.0104 ( 855 PWs) bands (ev): -25.4940 -25.4940 -12.2657 -12.2657 -5.2843 -5.2843 -4.2620 -4.2620 -4.1013 -4.1013 3.0975 3.0975 3.1298 3.1298 10.7257 10.7257 12.7382 12.7382 16.1791 16.1791 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0162 0.1544 ( 861 PWs) bands (ev): -25.4867 -25.4867 -12.3584 -12.3584 -5.1192 -5.1192 -4.2189 -4.2189 -4.1549 -4.1549 3.0059 3.0059 3.2571 3.2571 10.6891 10.6891 12.4385 12.4385 16.2285 16.2285 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0162 0.2984 ( 860 PWs) bands (ev): -25.4329 -25.4329 -12.3240 -12.3240 -5.0603 -5.0603 -4.4602 -4.4602 -4.2188 -4.2188 2.7672 2.7672 3.1778 3.1778 11.0180 11.0180 12.6791 12.6791 16.4386 16.4386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0162-1.1417 ( 864 PWs) bands (ev): -25.3487 -25.3487 -12.1707 -12.1707 -5.2844 -5.2844 -4.6473 -4.6473 -4.3473 -4.3473 2.3600 2.3600 3.0230 3.0230 11.5169 11.5169 13.5101 13.5101 16.6270 16.6270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9989 0.9989 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0162-0.9977 ( 873 PWs) bands (ev): -25.2596 -25.2596 -11.9376 -11.9376 -5.7192 -5.7192 -4.7092 -4.7092 -4.4956 -4.4956 1.8652 1.8652 2.8974 2.8974 12.0832 12.0832 14.6283 14.6283 16.3118 16.3118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0162-0.8537 ( 876 PWs) bands (ev): -25.1946 -25.1946 -11.6917 -11.6917 -6.0903 -6.0903 -4.7745 -4.7745 -4.6190 -4.6190 1.4469 1.4469 2.8305 2.8305 12.6316 12.6316 15.1245 15.1245 16.1952 16.1952 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0162-0.7097 ( 871 PWs) bands (ev): -25.1755 -25.1755 -11.5158 -11.5158 -6.2750 -6.2750 -4.8434 -4.8434 -4.6877 -4.6877 1.2475 1.2475 2.8290 2.8290 12.9611 12.9611 14.8428 14.8428 16.7763 16.7763 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0162-0.5657 ( 864 PWs) bands (ev): -25.2092 -25.2092 -11.4784 -11.4784 -6.2425 -6.2425 -4.8949 -4.8949 -4.6580 -4.6580 1.3368 1.3368 2.8853 2.8853 12.8704 12.8704 14.7712 14.7712 17.1997 17.1997 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1470-0.4819 ( 870 PWs) bands (ev): -25.2458 -25.2458 -11.6330 -11.6330 -6.0670 -6.0670 -4.8539 -4.8539 -4.5252 -4.5252 1.4287 1.4287 3.0737 3.0737 12.4527 12.4527 14.5744 14.5744 17.4122 17.4122 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1470-0.3379 ( 863 PWs) bands (ev): -25.3333 -25.3333 -11.8501 -11.8501 -5.7237 -5.7237 -4.7450 -4.7450 -4.4083 -4.4083 1.9242 1.9242 3.1523 3.1523 11.8962 11.8962 14.1791 14.1791 16.9658 16.9658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1470-0.1939 ( 862 PWs) bands (ev): -25.4229 -25.4229 -12.1214 -12.1214 -5.3777 -5.3777 -4.4990 -4.4990 -4.2707 -4.2707 2.5089 2.5089 3.2208 3.2208 11.2456 11.2456 13.3103 13.3103 16.4751 16.4751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0162 0.0162 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1470-0.0499 ( 861 PWs) bands (ev): -25.4867 -25.4867 -12.3584 -12.3584 -5.1192 -5.1192 -4.2189 -4.2189 -4.1549 -4.1549 3.0059 3.0059 3.2571 3.2571 10.6891 10.6891 12.4385 12.4385 16.2285 16.2285 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1470 0.0942 ( 860 PWs) bands (ev): -25.5057 -25.5057 -12.4963 -12.4963 -4.9399 -4.9399 -4.1181 -4.1181 -4.0928 -4.0928 3.2306 3.2306 3.2630 3.2630 10.4635 10.4635 11.9167 11.9167 16.1854 16.1854 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1470 0.2382 ( 862 PWs) bands (ev): -25.4747 -25.4747 -12.5017 -12.5017 -4.8477 -4.8477 -4.2682 -4.2682 -4.1329 -4.1329 3.1267 3.1267 3.1991 3.1991 10.6631 10.6631 11.9418 11.9418 16.3228 16.3228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1470-1.2020 ( 864 PWs) bands (ev): -25.4027 -25.4027 -12.3732 -12.3732 -4.9908 -4.9908 -4.5092 -4.5092 -4.2325 -4.2325 2.6998 2.6998 3.1199 3.1199 11.1213 11.1213 12.6183 12.6183 16.5485 16.5485 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1470-1.0579 ( 865 PWs) bands (ev): -25.3111 -25.3111 -12.1418 -12.1418 -5.4590 -5.4590 -4.5890 -4.5890 -4.3676 -4.3676 2.1154 2.1154 3.0437 3.0437 11.6848 11.6848 13.7239 13.7239 16.5693 16.5693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1470-0.9139 ( 871 PWs) bands (ev): -25.2286 -25.2286 -11.8702 -11.8702 -5.9279 -5.9279 -4.6606 -4.6606 -4.4948 -4.4948 1.5660 1.5660 2.9916 2.9916 12.2719 12.2719 14.6161 14.6161 16.3123 16.3123 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1470-0.7699 ( 879 PWs) bands (ev): -25.1826 -25.1826 -11.6456 -11.6456 -6.2185 -6.2185 -4.7578 -4.7578 -4.5756 -4.5756 1.2158 1.2158 2.9791 2.9791 12.7130 12.7130 14.6462 14.6462 16.6910 16.6910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1470-0.6259 ( 867 PWs) bands (ev): -25.1890 -25.1890 -11.5535 -11.5535 -6.2615 -6.2615 -4.8417 -4.8417 -4.5868 -4.5868 1.1664 1.1664 3.0096 3.0096 12.7780 12.7780 14.5773 14.5773 17.1483 17.1483 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2778-0.5421 ( 867 PWs) bands (ev): -25.2002 -25.2002 -11.6130 -11.6130 -6.0718 -6.0718 -4.8405 -4.8405 -4.6935 -4.6935 1.2920 1.2920 2.9793 2.9793 12.5957 12.5957 14.7167 14.7167 17.5766 17.5766 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2778-0.3981 ( 868 PWs) bands (ev): -25.2703 -25.2703 -11.7958 -11.7958 -5.7825 -5.7825 -4.7977 -4.7977 -4.5640 -4.5640 1.6812 1.6812 3.0494 3.0494 12.1548 12.1548 14.5375 14.5375 17.2372 17.2372 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2778-0.2541 ( 861 PWs) bands (ev): -25.3571 -25.3571 -12.0637 -12.0637 -5.3982 -5.3982 -4.6659 -4.6659 -4.3866 -4.3866 2.2239 2.2239 3.1253 3.1253 11.5786 11.5786 13.7154 13.7154 16.7070 16.7070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2778-0.1101 ( 860 PWs) bands (ev): -25.4329 -25.4329 -12.3240 -12.3240 -5.0603 -5.0603 -4.4602 -4.4602 -4.2188 -4.2188 2.7672 2.7672 3.1778 3.1778 11.0180 11.0180 12.6791 12.6791 16.4386 16.4386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2778 0.0339 ( 862 PWs) bands (ev): -25.4747 -25.4747 -12.5017 -12.5017 -4.8477 -4.8477 -4.2682 -4.2682 -4.1329 -4.1329 3.1267 3.1267 3.1991 3.1991 10.6631 10.6631 11.9418 11.9418 16.3228 16.3228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2778 0.1779 ( 863 PWs) bands (ev): -25.4703 -25.4703 -12.5525 -12.5525 -4.7544 -4.7544 -4.2394 -4.2394 -4.1645 -4.1645 3.0671 3.0671 3.2796 3.2796 10.6616 10.6616 11.7496 11.7496 16.3631 16.3631 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2778-1.2622 ( 866 PWs) bands (ev): -25.4211 -25.4211 -12.4647 -12.4647 -4.8480 -4.8480 -4.4062 -4.4062 -4.2398 -4.2398 2.7892 2.7892 3.2019 3.2019 10.9670 10.9670 12.2287 12.2287 16.5236 16.5236 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2778-1.1182 ( 864 PWs) bands (ev): -25.3414 -25.3414 -12.2588 -12.2588 -5.2244 -5.2244 -4.5130 -4.5130 -4.3854 -4.3854 2.3025 2.3025 3.0909 3.0909 11.4533 11.4533 13.2614 13.2614 16.6360 16.6360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2778-0.9742 ( 870 PWs) bands (ev): -25.2557 -25.2557 -11.9878 -11.9878 -5.6794 -5.6794 -4.6062 -4.6062 -4.5473 -4.5473 1.7595 1.7595 2.9997 2.9997 12.0213 12.0213 14.3946 14.3946 16.4532 16.4532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2778-0.8302 ( 874 PWs) bands (ev): -25.1915 -25.1915 -11.7339 -11.7339 -6.0254 -6.0254 -4.7117 -4.7117 -4.6776 -4.6776 1.3377 1.3377 2.9460 2.9460 12.5225 12.5225 14.7915 14.7915 16.6830 16.6830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2778-0.6861 ( 869 PWs) bands (ev): -25.1706 -25.1706 -11.5889 -11.5889 -6.1654 -6.1654 -4.7992 -4.7992 -4.7378 -4.7378 1.1652 1.1652 2.9399 2.9399 12.7531 12.7531 14.6905 14.6905 17.2560 17.2560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0303 0.0602 ( 868 PWs) bands (ev): -25.1620 -25.1620 -11.5427 -11.5427 -5.9615 -5.9615 -5.0760 -5.0760 -4.8259 -4.8259 1.3190 1.3190 2.7122 2.7122 12.8044 12.8044 15.0891 15.0891 17.6903 17.6903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0303 0.2042 ( 862 PWs) bands (ev): -25.2054 -25.2054 -11.6722 -11.6722 -5.8408 -5.8408 -4.9467 -4.9467 -4.7579 -4.7579 1.5427 1.5427 2.7852 2.7852 12.5093 12.5093 15.1591 15.1591 17.1690 17.1690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0303 0.3483 ( 869 PWs) bands (ev): -25.2752 -25.2752 -11.9104 -11.9104 -5.6001 -5.6001 -4.7893 -4.7893 -4.5659 -4.5659 1.9260 1.9260 2.9025 2.9025 12.0302 12.0302 14.6134 14.6134 16.6908 16.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0303 0.4923 ( 864 PWs) bands (ev): -25.3487 -25.3487 -12.1707 -12.1707 -5.2844 -5.2844 -4.6473 -4.6473 -4.3473 -4.3473 2.3600 2.3600 3.0230 3.0230 11.5169 11.5169 13.5101 13.5101 16.6270 16.6270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9989 0.9989 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0303 0.6363 ( 864 PWs) bands (ev): -25.4027 -25.4027 -12.3732 -12.3732 -4.9908 -4.9908 -4.5092 -4.5092 -4.2325 -4.2325 2.6998 2.6998 3.1199 3.1199 11.1213 11.1213 12.6183 12.6183 16.5485 16.5485 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0303 0.7803 ( 866 PWs) bands (ev): -25.4211 -25.4211 -12.4647 -12.4647 -4.8480 -4.8480 -4.4062 -4.4062 -4.2398 -4.2398 2.7892 2.7892 3.2019 3.2019 10.9670 10.9670 12.2287 12.2287 16.5236 16.5236 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0303-0.6598 ( 862 PWs) bands (ev): -25.3984 -25.3984 -12.4233 -12.4233 -4.9395 -4.9395 -4.4372 -4.4372 -4.2646 -4.2646 2.6280 2.6280 3.2026 3.2026 11.0925 11.0925 12.4533 12.4533 16.5839 16.5839 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0303-0.5158 ( 864 PWs) bands (ev): -25.3414 -25.3414 -12.2588 -12.2588 -5.2244 -5.2244 -4.5130 -4.5130 -4.3854 -4.3854 2.3025 2.3025 3.0909 3.0909 11.4533 11.4533 13.2614 13.2614 16.6360 16.6360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0303-0.3718 ( 870 PWs) bands (ev): -25.2673 -25.2673 -12.0126 -12.0126 -5.5512 -5.5512 -4.6471 -4.6471 -4.5816 -4.5816 1.8996 1.8996 2.9314 2.9314 11.9535 11.9535 14.4327 14.4327 16.4568 16.4568 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0303-0.2278 ( 871 PWs) bands (ev): -25.1993 -25.1993 -11.7555 -11.7555 -5.8105 -5.8105 -4.8954 -4.8954 -4.7006 -4.7006 1.5338 1.5338 2.7910 2.7910 12.4541 12.4541 15.2292 15.2292 16.5216 16.5216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0303-0.0838 ( 872 PWs) bands (ev): -25.1598 -25.1598 -11.5750 -11.5750 -5.9516 -5.9516 -5.0649 -5.0649 -4.7939 -4.7939 1.3171 1.3171 2.7120 2.7120 12.7865 12.7865 15.1185 15.1185 17.3306 17.3306 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.8995 0.0000 ( 870 PWs) bands (ev): -25.1433 -25.1433 -11.4420 -11.4420 -5.7208 -5.7208 -5.5294 -5.5294 -4.8654 -4.8654 1.5048 1.5048 2.3643 2.3643 13.0441 13.0441 15.3708 15.3708 17.6433 17.6433 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9985 0.9985 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.8995 0.1440 ( 876 PWs) bands (ev): -25.1596 -25.1596 -11.5147 -11.5147 -5.8468 -5.8468 -5.2753 -5.2753 -4.8235 -4.8235 1.5383 1.5383 2.4558 2.4558 12.9014 12.9014 15.4954 15.4954 17.1171 17.1171 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4476 0.4476 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.8995 0.2880 ( 872 PWs) bands (ev): -25.2031 -25.2031 -11.7033 -11.7033 -5.8675 -5.8675 -4.9299 -4.9299 -4.6992 -4.6992 1.6566 1.6566 2.6716 2.6716 12.5360 12.5360 15.6869 15.6869 16.0683 16.0683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.8995 0.4320 ( 873 PWs) bands (ev): -25.2596 -25.2596 -11.9376 -11.9376 -5.7192 -5.7192 -4.7092 -4.7092 -4.4956 -4.4956 1.8652 1.8652 2.8974 2.8974 12.0832 12.0832 14.6283 14.6283 16.3118 16.3118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.8995 0.5760 ( 865 PWs) bands (ev): -25.3111 -25.3111 -12.1418 -12.1418 -5.4590 -5.4590 -4.5890 -4.5890 -4.3676 -4.3676 2.1154 2.1154 3.0437 3.0437 11.6848 11.6848 13.7239 13.7239 16.5693 16.5693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.8995 0.7201 ( 864 PWs) bands (ev): -25.3414 -25.3414 -12.2588 -12.2588 -5.2244 -5.2244 -4.5130 -4.5130 -4.3854 -4.3854 2.3025 2.3025 3.0909 3.0909 11.4533 11.4533 13.2614 13.2614 16.6360 16.6360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.8995-0.7201 ( 864 PWs) bands (ev): -25.3414 -25.3414 -12.2588 -12.2588 -5.2244 -5.2244 -4.5130 -4.5130 -4.3854 -4.3854 2.3025 2.3025 3.0909 3.0909 11.4533 11.4533 13.2614 13.2614 16.6360 16.6360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.8995-0.5760 ( 865 PWs) bands (ev): -25.3111 -25.3111 -12.1418 -12.1418 -5.4590 -5.4590 -4.5890 -4.5890 -4.3676 -4.3676 2.1154 2.1154 3.0437 3.0437 11.6848 11.6848 13.7239 13.7239 16.5693 16.5693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.8995-0.4320 ( 873 PWs) bands (ev): -25.2596 -25.2596 -11.9376 -11.9376 -5.7192 -5.7192 -4.7092 -4.7092 -4.4956 -4.4956 1.8652 1.8652 2.8974 2.8974 12.0832 12.0832 14.6283 14.6283 16.3118 16.3118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.8995-0.2880 ( 872 PWs) bands (ev): -25.2031 -25.2031 -11.7033 -11.7033 -5.8675 -5.8675 -4.9299 -4.9299 -4.6992 -4.6992 1.6566 1.6566 2.6716 2.6716 12.5360 12.5360 15.6869 15.6869 16.0683 16.0683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.8995-0.1440 ( 876 PWs) bands (ev): -25.1596 -25.1596 -11.5147 -11.5147 -5.8468 -5.8468 -5.2753 -5.2753 -4.8235 -4.8235 1.5383 1.5383 2.4558 2.4558 12.9014 12.9014 15.4954 15.4954 17.1171 17.1171 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4476 0.4476 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7686-0.0602 ( 871 PWs) bands (ev): -25.1500 -25.1500 -11.3398 -11.3398 -5.9675 -5.9675 -5.3975 -5.3975 -4.9052 -4.9052 1.7770 1.7770 2.0836 2.0836 13.2698 13.2698 15.3374 15.3374 17.3470 17.3470 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7686 0.0838 ( 867 PWs) bands (ev): -25.1479 -25.1479 -11.3711 -11.3711 -5.9606 -5.9606 -5.3558 -5.3558 -4.9000 -4.9000 1.6513 1.6513 2.1991 2.1991 13.2383 13.2383 15.3425 15.3425 17.3176 17.3176 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7686 0.2278 ( 867 PWs) bands (ev): -25.1645 -25.1645 -11.5048 -11.5048 -6.0913 -6.0913 -5.0204 -5.0204 -4.8024 -4.8024 1.4731 1.4731 2.5361 2.5361 12.9946 12.9946 15.3912 15.3912 16.6314 16.6314 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0022 0.0022 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7686 0.3718 ( 876 PWs) bands (ev): -25.1946 -25.1946 -11.6917 -11.6917 -6.0903 -6.0903 -4.7745 -4.7745 -4.6190 -4.6190 1.4469 1.4469 2.8305 2.8305 12.6316 12.6316 15.1245 15.1245 16.1952 16.1952 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7686 0.5158 ( 871 PWs) bands (ev): -25.2286 -25.2286 -11.8702 -11.8702 -5.9279 -5.9279 -4.6606 -4.6606 -4.4948 -4.4948 1.5660 1.5660 2.9916 2.9916 12.2719 12.2719 14.6161 14.6161 16.3123 16.3123 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7686 0.6598 ( 870 PWs) bands (ev): -25.2557 -25.2557 -11.9878 -11.9878 -5.6794 -5.6794 -4.6062 -4.6062 -4.5473 -4.5473 1.7595 1.7595 2.9997 2.9997 12.0213 12.0213 14.3946 14.3946 16.4532 16.4532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7686-0.7803 ( 870 PWs) bands (ev): -25.2673 -25.2673 -12.0126 -12.0126 -5.5512 -5.5512 -4.6471 -4.6471 -4.5816 -4.5816 1.8996 1.8996 2.9314 2.9314 11.9535 11.9535 14.4327 14.4327 16.4568 16.4568 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7686-0.6363 ( 873 PWs) bands (ev): -25.2596 -25.2596 -11.9376 -11.9376 -5.7192 -5.7192 -4.7092 -4.7092 -4.4956 -4.4956 1.8652 1.8652 2.8974 2.8974 12.0832 12.0832 14.6283 14.6283 16.3118 16.3118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7686-0.4923 ( 872 PWs) bands (ev): -25.2352 -25.2352 -11.7824 -11.7824 -5.9782 -5.9782 -4.8218 -4.8218 -4.4412 -4.4412 1.7183 1.7183 2.8528 2.8528 12.3684 12.3684 15.0140 15.0140 16.0720 16.0720 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7686-0.3483 ( 870 PWs) bands (ev): -25.2018 -25.2018 -11.5909 -11.5909 -6.1349 -6.1349 -4.9707 -4.9707 -4.5566 -4.5566 1.6136 1.6136 2.6879 2.6879 12.7362 12.7362 15.4726 15.4726 16.0217 16.0217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7686-0.2042 ( 863 PWs) bands (ev): -25.1700 -25.1700 -11.4237 -11.4237 -6.1198 -6.1198 -5.1611 -5.1611 -4.7744 -4.7744 1.6390 1.6390 2.3944 2.3944 13.0779 13.0779 15.4264 15.4264 16.7124 16.7124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9867 0.9867 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6378-0.1205 ( 864 PWs) bands (ev): -25.1799 -25.1799 -11.2679 -11.2679 -6.2630 -6.2630 -5.2637 -5.2637 -4.7588 -4.7588 1.7859 1.7859 2.2333 2.2333 13.4064 13.4064 15.0034 15.0034 17.0056 17.0056 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6378 0.0235 ( 867 PWs) bands (ev): -25.1742 -25.1742 -11.2888 -11.2888 -6.1664 -6.1664 -5.1999 -5.1999 -4.9097 -4.9097 1.7732 1.7732 2.1839 2.1839 13.3777 13.3777 15.0960 15.0960 17.3083 17.3083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6378 0.1675 ( 865 PWs) bands (ev): -25.1725 -25.1725 -11.3827 -11.3827 -6.2125 -6.2125 -4.9699 -4.9699 -4.9065 -4.9065 1.4514 1.4514 2.5288 2.5288 13.2083 13.2083 15.0627 15.0627 17.1038 17.1038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0038 0.0038 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6378 0.3116 ( 871 PWs) bands (ev): -25.1755 -25.1755 -11.5158 -11.5158 -6.2750 -6.2750 -4.8434 -4.8434 -4.6877 -4.6877 1.2475 1.2475 2.8290 2.8290 12.9611 12.9611 14.8428 14.8428 16.7763 16.7763 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6378 0.4556 ( 879 PWs) bands (ev): -25.1826 -25.1826 -11.6456 -11.6456 -6.2185 -6.2185 -4.7578 -4.7578 -4.5756 -4.5756 1.2158 1.2158 2.9791 2.9791 12.7130 12.7130 14.6462 14.6462 16.6910 16.6910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6378 0.5996 ( 874 PWs) bands (ev): -25.1915 -25.1915 -11.7339 -11.7339 -6.0254 -6.0254 -4.7117 -4.7117 -4.6776 -4.6776 1.3377 1.3377 2.9460 2.9460 12.5225 12.5225 14.7915 14.7915 16.6830 16.6830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6378-0.8405 ( 871 PWs) bands (ev): -25.1993 -25.1993 -11.7555 -11.7555 -5.8105 -5.8105 -4.8954 -4.8954 -4.7006 -4.7006 1.5338 1.5338 2.7910 2.7910 12.4541 12.4541 15.2292 15.2292 16.5216 16.5216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6378-0.6965 ( 872 PWs) bands (ev): -25.2031 -25.2031 -11.7033 -11.7033 -5.8675 -5.8675 -4.9299 -4.9299 -4.6992 -4.6992 1.6566 1.6566 2.6716 2.6716 12.5360 12.5360 15.6869 15.6869 16.0683 16.0683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6378-0.5525 ( 870 PWs) bands (ev): -25.2018 -25.2018 -11.5909 -11.5909 -6.1349 -6.1349 -4.9707 -4.9707 -4.5566 -4.5566 1.6136 1.6136 2.6879 2.6879 12.7362 12.7362 15.4726 15.4726 16.0217 16.0217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6378-0.4085 ( 875 PWs) bands (ev): -25.1960 -25.1960 -11.4511 -11.4511 -6.3322 -6.3322 -5.0929 -5.0929 -4.4634 -4.4634 1.5467 1.5467 2.6893 2.6893 13.0038 13.0038 15.0489 15.0489 16.2835 16.2835 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6378-0.2645 ( 867 PWs) bands (ev): -25.1879 -25.1879 -11.3293 -11.3293 -6.3670 -6.3670 -5.2073 -5.2073 -4.5535 -4.5535 1.5960 1.5960 2.5348 2.5348 13.2658 13.2658 14.9215 14.9215 16.5894 16.5894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0024 0.0024 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5070-0.1807 ( 872 PWs) bands (ev): -25.2235 -25.2235 -11.2524 -11.2524 -6.3835 -6.3835 -5.3000 -5.3000 -4.4896 -4.4896 1.7765 1.7765 2.5029 2.5029 13.3470 13.3470 14.6353 14.6353 16.9146 16.9146 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0248 0.0248 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5070-0.0367 ( 867 PWs) bands (ev): -25.2298 -25.2298 -11.2985 -11.2985 -6.2585 -6.2585 -5.1886 -5.1886 -4.6592 -4.6592 1.8734 1.8734 2.4052 2.4052 13.2041 13.2041 14.8609 14.8609 17.3125 17.3125 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9710 0.9710 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5070 0.1073 ( 868 PWs) bands (ev): -25.2245 -25.2245 -11.3838 -11.3838 -6.2046 -6.2046 -4.9881 -4.9881 -4.7706 -4.7706 1.6300 1.6300 2.6237 2.6237 13.0307 13.0307 14.9342 14.9342 17.4350 17.4350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5070 0.2513 ( 864 PWs) bands (ev): -25.2092 -25.2092 -11.4784 -11.4784 -6.2425 -6.2425 -4.8949 -4.8949 -4.6580 -4.6580 1.3368 1.3368 2.8853 2.8853 12.8704 12.8704 14.7712 14.7712 17.1997 17.1997 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5070 0.3953 ( 867 PWs) bands (ev): -25.1890 -25.1890 -11.5535 -11.5535 -6.2615 -6.2615 -4.8417 -4.8417 -4.5868 -4.5868 1.1664 1.1664 3.0096 3.0096 12.7780 12.7780 14.5773 14.5773 17.1483 17.1483 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5070 0.5393 ( 869 PWs) bands (ev): -25.1706 -25.1706 -11.5889 -11.5889 -6.1654 -6.1654 -4.7992 -4.7992 -4.7378 -4.7378 1.1652 1.1652 2.9399 2.9399 12.7531 12.7531 14.6905 14.6905 17.2560 17.2560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5070-0.9008 ( 872 PWs) bands (ev): -25.1598 -25.1598 -11.5750 -11.5750 -5.9516 -5.9516 -5.0649 -5.0649 -4.7939 -4.7939 1.3171 1.3171 2.7120 2.7120 12.7865 12.7865 15.1185 15.1185 17.3306 17.3306 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5070-0.7568 ( 876 PWs) bands (ev): -25.1596 -25.1596 -11.5147 -11.5147 -5.8468 -5.8468 -5.2753 -5.2753 -4.8235 -4.8235 1.5383 1.5383 2.4558 2.4558 12.9014 12.9014 15.4954 15.4954 17.1171 17.1171 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4476 0.4476 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5070-0.6127 ( 863 PWs) bands (ev): -25.1700 -25.1700 -11.4237 -11.4237 -6.1198 -6.1198 -5.1611 -5.1611 -4.7744 -4.7744 1.6390 1.6390 2.3944 2.3944 13.0779 13.0779 15.4264 15.4264 16.7124 16.7124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9867 0.9867 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5070-0.4687 ( 867 PWs) bands (ev): -25.1879 -25.1879 -11.3293 -11.3293 -6.3670 -6.3670 -5.2073 -5.2073 -4.5535 -4.5535 1.5960 1.5960 2.5348 2.5348 13.2658 13.2658 14.9215 14.9215 16.5894 16.5894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0024 0.0024 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5070-0.3247 ( 876 PWs) bands (ev): -25.2078 -25.2078 -11.2640 -11.2640 -6.4513 -6.4513 -5.2900 -5.2900 -4.4291 -4.4291 1.6248 1.6248 2.6042 2.6042 13.3887 13.3887 14.5687 14.5687 16.6680 16.6680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4703-0.3012 ( 870 PWs) bands (ev): -25.2075 -25.2075 -11.2712 -11.2712 -6.3662 -6.3662 -5.4119 -5.4119 -4.4073 -4.4073 1.7316 1.7316 2.5509 2.5509 13.1416 13.1416 15.1339 15.1339 16.1362 16.1362 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0007 0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4703-0.1572 ( 867 PWs) bands (ev): -25.2189 -25.2189 -11.3305 -11.3305 -6.2406 -6.2406 -5.3628 -5.3628 -4.4770 -4.4770 1.8383 1.8383 2.4914 2.4914 13.0031 13.0031 15.2973 15.2973 16.3348 16.3348 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0561 0.0561 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4703-0.0132 ( 867 PWs) bands (ev): -25.2218 -25.2218 -11.4307 -11.4307 -6.0527 -6.0527 -5.2256 -5.2256 -4.6496 -4.6496 1.8348 1.8348 2.4900 2.4900 12.8393 12.8393 15.4083 15.4083 16.8499 16.8499 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0619 0.0619 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4703 0.1309 ( 871 PWs) bands (ev): -25.2148 -25.2148 -11.5358 -11.5358 -5.9853 -5.9853 -5.0001 -5.0001 -4.7653 -4.7653 1.5710 1.5710 2.7304 2.7304 12.6895 12.6895 15.1693 15.1693 17.4071 17.4071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4703 0.2749 ( 867 PWs) bands (ev): -25.2002 -25.2002 -11.6130 -11.6130 -6.0718 -6.0718 -4.8405 -4.8405 -4.6935 -4.6935 1.2920 1.2920 2.9793 2.9793 12.5957 12.5957 14.7167 14.7167 17.5766 17.5767 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4703 0.4189 ( 872 PWs) bands (ev): -25.1830 -25.1830 -11.6417 -11.6417 -6.1505 -6.1505 -4.8031 -4.8031 -4.6137 -4.6137 1.1338 1.1338 3.0818 3.0818 12.5974 12.5974 14.4325 14.4325 17.7438 17.7440 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4703-1.0212 ( 864 PWs) bands (ev): -25.1687 -25.1687 -11.6159 -11.6159 -6.1125 -6.1125 -4.8036 -4.8036 -4.7521 -4.7521 1.1436 1.1436 2.9802 2.9802 12.6758 12.6758 14.5936 14.5936 17.9459 17.9459 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4703-0.8772 ( 868 PWs) bands (ev): -25.1620 -25.1620 -11.5427 -11.5427 -5.9615 -5.9615 -5.0760 -5.0760 -4.8259 -4.8259 1.3190 1.3190 2.7122 2.7122 12.8044 12.8044 15.0891 15.0891 17.6903 17.6903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4703-0.7332 ( 871 PWs) bands (ev): -25.1646 -25.1646 -11.4411 -11.4411 -5.8923 -5.8923 -5.3281 -5.3281 -4.8432 -4.8432 1.6024 1.6024 2.3969 2.3969 12.9622 12.9622 15.5451 15.5451 17.1338 17.1338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9840 0.9840 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4703-0.5892 ( 864 PWs) bands (ev): -25.1755 -25.1755 -11.3408 -11.3408 -6.1209 -6.1209 -5.3474 -5.3474 -4.7263 -4.7263 1.7887 1.7887 2.2698 2.2698 13.1024 13.1024 15.7138 15.7138 16.3655 16.3655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4703-0.4452 ( 865 PWs) bands (ev): -25.1913 -25.1913 -11.2756 -11.2756 -6.3274 -6.3274 -5.3890 -5.3890 -4.5142 -4.5142 1.7299 1.7299 2.4464 2.4464 13.1787 13.1787 15.3682 15.3682 16.0889 16.0889 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.6182 0.6182 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3395-0.3614 ( 867 PWs) bands (ev): -25.2189 -25.2189 -11.3305 -11.3305 -6.2406 -6.2406 -5.3628 -5.3628 -4.4770 -4.4770 1.8383 1.8383 2.4914 2.4914 13.0031 13.0031 15.2973 15.2973 16.3348 16.3348 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0561 0.0561 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3395-0.2174 ( 876 PWs) bands (ev): -25.2581 -25.2581 -11.4508 -11.4508 -6.1347 -6.1347 -5.2923 -5.2923 -4.3537 -4.3537 1.9539 1.9539 2.6348 2.6348 12.6963 12.6963 15.1111 15.1111 16.5250 16.5250 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3395-0.0734 ( 876 PWs) bands (ev): -25.2840 -25.2840 -11.5997 -11.5997 -5.9312 -5.9312 -5.1453 -5.1453 -4.4010 -4.4010 2.0683 2.0683 2.6851 2.6851 12.4111 12.4111 15.0048 15.0048 16.8725 16.8726 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3395 0.0706 ( 869 PWs) bands (ev): -25.2886 -25.2886 -11.7274 -11.7274 -5.7728 -5.7728 -4.9410 -4.9410 -4.5320 -4.5320 1.9524 1.9524 2.8472 2.8472 12.2188 12.2188 14.8064 14.8064 17.1369 17.1369 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3395 0.2146 ( 868 PWs) bands (ev): -25.2703 -25.2703 -11.7958 -11.7958 -5.7825 -5.7825 -4.7977 -4.7977 -4.5640 -4.5640 1.6812 1.6812 3.0494 3.0494 12.1548 12.1548 14.5375 14.5375 17.2372 17.2372 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3395 0.3586 ( 874 PWs) bands (ev): -25.2349 -25.2349 -11.7873 -11.7873 -5.9084 -5.9084 -4.7655 -4.7655 -4.5439 -4.5439 1.4299 1.4299 3.1231 3.1231 12.2513 12.2513 14.4235 14.4235 17.3629 17.3629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3395-1.0815 ( 869 PWs) bands (ev): -25.1936 -25.1936 -11.7060 -11.7060 -5.9957 -5.9957 -4.7658 -4.7658 -4.7042 -4.7042 1.2935 1.2935 3.0007 3.0007 12.4882 12.4882 14.6522 14.6522 17.3797 17.3797 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3395-0.9375 ( 872 PWs) bands (ev): -25.1598 -25.1598 -11.5750 -11.5750 -5.9516 -5.9516 -5.0649 -5.0649 -4.7939 -4.7939 1.3171 1.3171 2.7120 2.7120 12.7865 12.7865 15.1185 15.1185 17.3306 17.3306 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3395-0.7935 ( 868 PWs) bands (ev): -25.1439 -25.1439 -11.4321 -11.4321 -5.7752 -5.7752 -5.4975 -5.4975 -4.8540 -4.8540 1.5079 1.5079 2.3550 2.3550 13.0571 13.0571 15.4737 15.4737 17.2734 17.2734 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9993 0.9993 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3395-0.6494 ( 862 PWs) bands (ev): -25.1512 -25.1512 -11.3214 -11.3214 -5.9203 -5.9203 -5.5100 -5.5100 -4.8721 -4.8721 1.8282 1.8282 2.0436 2.0436 13.2139 13.2139 15.6153 15.6153 16.9059 16.9059 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3395-0.5054 ( 861 PWs) bands (ev): -25.1791 -25.1791 -11.2820 -11.2820 -6.1721 -6.1721 -5.3928 -5.3928 -4.7159 -4.7159 1.8579 1.8579 2.1962 2.1962 13.1997 13.1997 15.5665 15.5665 16.4305 16.4305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2087-0.4217 ( 867 PWs) bands (ev): -25.2218 -25.2218 -11.4307 -11.4307 -6.0527 -6.0527 -5.2256 -5.2256 -4.6496 -4.6496 1.8348 1.8348 2.4900 2.4900 12.8393 12.8393 15.4083 15.4083 16.8499 16.8499 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0619 0.0619 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2087-0.2776 ( 876 PWs) bands (ev): -25.2840 -25.2840 -11.5997 -11.5997 -5.9312 -5.9312 -5.1453 -5.1453 -4.4010 -4.4010 2.0683 2.0683 2.6851 2.6851 12.4111 12.4111 15.0048 15.0048 16.8726 16.8726 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2087-0.1336 ( 867 PWs) bands (ev): -25.3368 -25.3368 -11.8025 -11.8025 -5.7096 -5.7096 -5.0017 -5.0017 -4.2743 -4.2743 2.3202 2.3202 2.8089 2.8089 11.9760 11.9760 14.4470 14.4470 16.7547 16.7547 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2087 0.0104 ( 861 PWs) bands (ev): -25.3640 -25.3640 -11.9734 -11.9734 -5.4931 -5.4931 -4.8084 -4.8084 -4.3054 -4.3054 2.3977 2.3977 2.9476 2.9476 11.6736 11.6736 13.9657 13.9657 16.6629 16.6629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9830 0.9830 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2087 0.1544 ( 861 PWs) bands (ev): -25.3571 -25.3571 -12.0637 -12.0637 -5.3982 -5.3982 -4.6659 -4.6659 -4.3866 -4.3866 2.2239 2.2239 3.1253 3.1253 11.5786 11.5786 13.7154 13.7154 16.7070 16.7070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2087 0.2984 ( 864 PWs) bands (ev): -25.3184 -25.3184 -12.0502 -12.0502 -5.4884 -5.4884 -4.6555 -4.6555 -4.4198 -4.4198 1.9548 1.9548 3.1820 3.1820 11.7086 11.7086 13.8260 13.8260 16.8244 16.8244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2087-1.1417 ( 869 PWs) bands (ev): -25.2597 -25.2597 -11.9374 -11.9374 -5.6746 -5.6746 -4.6702 -4.6702 -4.5738 -4.5738 1.7021 1.7021 3.0563 3.0563 12.0276 12.0276 14.3782 14.3782 16.8057 16.8057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2087-0.9977 ( 871 PWs) bands (ev): -25.1993 -25.1993 -11.7555 -11.7555 -5.8105 -5.8105 -4.8954 -4.8954 -4.7006 -4.7006 1.5338 1.5338 2.7910 2.7910 12.4541 12.4541 15.2292 15.2292 16.5216 16.5216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2087-0.8537 ( 868 PWs) bands (ev): -25.1566 -25.1566 -11.5569 -11.5569 -5.8401 -5.8401 -5.2553 -5.2553 -4.7752 -4.7752 1.4845 1.4845 2.4971 2.4971 12.8707 12.8707 15.6284 15.6284 16.6772 16.6772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0375 0.0375 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2087-0.7097 ( 863 PWs) bands (ev): -25.1456 -25.1456 -11.4055 -11.4055 -5.8826 -5.8826 -5.4208 -5.4208 -4.8586 -4.8586 1.5470 1.5470 2.3051 2.3051 13.1261 13.1261 15.5337 15.5337 17.0364 17.0364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2087-0.5657 ( 865 PWs) bands (ev): -25.1700 -25.1700 -11.3567 -11.3567 -6.0218 -6.0218 -5.3097 -5.3097 -4.8534 -4.8534 1.6698 1.6698 2.3136 2.3136 13.1110 13.1110 15.5111 15.5111 16.9739 16.9739 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0779-0.4819 ( 871 PWs) bands (ev): -25.2148 -25.2148 -11.5358 -11.5358 -5.9853 -5.9853 -5.0001 -5.0001 -4.7653 -4.7653 1.5710 1.5710 2.7304 2.7304 12.6895 12.6895 15.1693 15.1693 17.4071 17.4071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0779-0.3379 ( 869 PWs) bands (ev): -25.2886 -25.2886 -11.7274 -11.7274 -5.7728 -5.7728 -4.9410 -4.9410 -4.5320 -4.5320 1.9524 1.9524 2.8472 2.8472 12.2188 12.2188 14.8064 14.8064 17.1368 17.1368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0779-0.1939 ( 861 PWs) bands (ev): -25.3640 -25.3640 -11.9734 -11.9734 -5.4931 -5.4931 -4.8084 -4.8084 -4.3054 -4.3054 2.3977 2.3977 2.9476 2.9476 11.6736 11.6736 13.9657 13.9657 16.6629 16.6629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9830 0.9830 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0779-0.0499 ( 861 PWs) bands (ev): -25.4174 -25.4174 -12.1929 -12.1929 -5.2317 -5.2317 -4.6186 -4.6186 -4.1921 -4.1921 2.7533 2.7533 3.0185 3.0185 11.2206 11.2206 13.1478 13.1478 16.4634 16.4634 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0779 0.0942 ( 860 PWs) bands (ev): -25.4329 -25.4329 -12.3240 -12.3240 -5.0603 -5.0603 -4.4602 -4.4602 -4.2188 -4.2188 2.7672 2.7672 3.1778 3.1778 11.0180 11.0180 12.6791 12.6791 16.4386 16.4386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0779 0.2382 ( 858 PWs) bands (ev): -25.4060 -25.4060 -12.3340 -12.3340 -5.0414 -5.0414 -4.4762 -4.4762 -4.2786 -4.2786 2.5626 2.5626 3.2403 3.2403 11.1226 11.1226 12.7206 12.7206 16.5469 16.5469 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0779-1.2020 ( 862 PWs) bands (ev): -25.3446 -25.3446 -12.2208 -12.2208 -5.2398 -5.2398 -4.5484 -4.5484 -4.3998 -4.3998 2.2557 2.2557 3.1305 3.1305 11.4666 11.4666 13.3449 13.3449 16.6685 16.6685 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0779-1.0579 ( 870 PWs) bands (ev): -25.2673 -25.2673 -12.0126 -12.0126 -5.5512 -5.5512 -4.6471 -4.6471 -4.5816 -4.5816 1.8996 1.8996 2.9314 2.9314 11.9535 11.9535 14.4327 14.4327 16.4568 16.4568 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0779-0.9139 ( 871 PWs) bands (ev): -25.1984 -25.1984 -11.7664 -11.7664 -5.8347 -5.8347 -4.8784 -4.8784 -4.6721 -4.6721 1.5677 1.5677 2.7503 2.7503 12.4753 12.4753 15.5109 15.5109 16.0345 16.0345 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0779-0.7699 ( 866 PWs) bands (ev): -25.1606 -25.1606 -11.5607 -11.5607 -6.0200 -6.0200 -5.0267 -5.0267 -4.7773 -4.7773 1.3594 1.3594 2.6516 2.6516 12.8660 12.8660 15.3075 15.3075 16.7555 16.7555 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0779-0.6259 ( 869 PWs) bands (ev): -25.1668 -25.1668 -11.4715 -11.4715 -6.0738 -6.0738 -5.0377 -5.0377 -4.8513 -4.8513 1.3552 1.3552 2.6511 2.6511 12.9450 12.9450 15.1782 15.1782 17.2038 17.2038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0530-0.5421 ( 867 PWs) bands (ev): -25.2002 -25.2002 -11.6130 -11.6130 -6.0718 -6.0718 -4.8405 -4.8405 -4.6935 -4.6935 1.2920 1.2920 2.9793 2.9793 12.5957 12.5957 14.7167 14.7167 17.5766 17.5767 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0530-0.3981 ( 868 PWs) bands (ev): -25.2703 -25.2703 -11.7958 -11.7958 -5.7825 -5.7825 -4.7977 -4.7977 -4.5640 -4.5640 1.6812 1.6812 3.0494 3.0494 12.1548 12.1548 14.5375 14.5375 17.2372 17.2372 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0530-0.2541 ( 861 PWs) bands (ev): -25.3571 -25.3571 -12.0637 -12.0637 -5.3982 -5.3982 -4.6659 -4.6659 -4.3866 -4.3866 2.2239 2.2239 3.1253 3.1253 11.5786 11.5786 13.7154 13.7154 16.7070 16.7070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0530-0.1101 ( 860 PWs) bands (ev): -25.4329 -25.4329 -12.3240 -12.3240 -5.0603 -5.0603 -4.4602 -4.4602 -4.2188 -4.2188 2.7672 2.7672 3.1778 3.1778 11.0180 11.0180 12.6791 12.6791 16.4386 16.4386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0530 0.0339 ( 862 PWs) bands (ev): -25.4747 -25.4747 -12.5017 -12.5017 -4.8477 -4.8477 -4.2682 -4.2682 -4.1329 -4.1329 3.1267 3.1267 3.1991 3.1991 10.6631 10.6631 11.9418 11.9418 16.3228 16.3228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0530 0.1779 ( 863 PWs) bands (ev): -25.4703 -25.4703 -12.5525 -12.5525 -4.7544 -4.7544 -4.2394 -4.2394 -4.1645 -4.1645 3.0671 3.0671 3.2796 3.2796 10.6616 10.6616 11.7496 11.7496 16.3631 16.3631 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0530-1.2622 ( 866 PWs) bands (ev): -25.4211 -25.4211 -12.4647 -12.4647 -4.8480 -4.8480 -4.4062 -4.4062 -4.2398 -4.2398 2.7892 2.7892 3.2019 3.2019 10.9670 10.9670 12.2287 12.2287 16.5236 16.5236 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0530-1.1182 ( 864 PWs) bands (ev): -25.3414 -25.3414 -12.2588 -12.2588 -5.2244 -5.2244 -4.5130 -4.5130 -4.3854 -4.3854 2.3025 2.3025 3.0909 3.0909 11.4533 11.4533 13.2614 13.2614 16.6360 16.6360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0530-0.9742 ( 870 PWs) bands (ev): -25.2557 -25.2557 -11.9878 -11.9878 -5.6794 -5.6794 -4.6062 -4.6062 -4.5473 -4.5473 1.7595 1.7595 2.9997 2.9997 12.0213 12.0213 14.3946 14.3946 16.4532 16.4532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0530-0.8302 ( 874 PWs) bands (ev): -25.1915 -25.1915 -11.7339 -11.7339 -6.0254 -6.0254 -4.7117 -4.7117 -4.6776 -4.6776 1.3377 1.3377 2.9460 2.9460 12.5225 12.5225 14.7915 14.7915 16.6830 16.6830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0530-0.6861 ( 869 PWs) bands (ev): -25.1706 -25.1706 -11.5889 -11.5889 -6.1654 -6.1654 -4.7992 -4.7992 -4.7378 -4.7378 1.1652 1.1652 2.9399 2.9399 12.7531 12.7531 14.6905 14.6905 17.2560 17.2560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1838-0.6024 ( 872 PWs) bands (ev): -25.1830 -25.1830 -11.6417 -11.6417 -6.1505 -6.1505 -4.8031 -4.8031 -4.6137 -4.6137 1.1338 1.1338 3.0818 3.0818 12.5974 12.5974 14.4325 14.4325 17.7440 17.7440 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1838-0.4584 ( 874 PWs) bands (ev): -25.2349 -25.2349 -11.7873 -11.7873 -5.9084 -5.9084 -4.7655 -4.7655 -4.5439 -4.5439 1.4299 1.4299 3.1231 3.1231 12.2513 12.2513 14.4235 14.4235 17.3629 17.3629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1838-0.3143 ( 864 PWs) bands (ev): -25.3184 -25.3184 -12.0502 -12.0502 -5.4884 -5.4884 -4.6555 -4.6555 -4.4198 -4.4198 1.9548 1.9548 3.1820 3.1820 11.7086 11.7086 13.8260 13.8260 16.8244 16.8244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1838-0.1703 ( 858 PWs) bands (ev): -25.4060 -25.4060 -12.3340 -12.3340 -5.0414 -5.0414 -4.4762 -4.4762 -4.2786 -4.2786 2.5626 2.5626 3.2403 3.2403 11.1226 11.1226 12.7206 12.7206 16.5469 16.5469 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1838-0.0263 ( 863 PWs) bands (ev): -25.4703 -25.4703 -12.5525 -12.5525 -4.7544 -4.7544 -4.2394 -4.2394 -4.1645 -4.1645 3.0671 3.0671 3.2796 3.2796 10.6616 10.6616 11.7496 11.7496 16.3631 16.3631 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1838 0.1177 ( 875 PWs) bands (ev): -25.4924 -25.4924 -12.6497 -12.6497 -4.6385 -4.6385 -4.1331 -4.1331 -4.1079 -4.1079 3.2680 3.2680 3.3005 3.3005 10.5019 10.5019 11.2913 11.2913 16.3077 16.3077 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1838-1.3224 ( 874 PWs) bands (ev): -25.4659 -25.4659 -12.6031 -12.6031 -4.6589 -4.6589 -4.2524 -4.2524 -4.1564 -4.1564 3.1115 3.1115 3.2574 3.2574 10.6773 10.6773 11.5448 11.5448 16.4034 16.4034 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1838-1.1784 ( 862 PWs) bands (ev): -25.3984 -25.3984 -12.4233 -12.4233 -4.9395 -4.9395 -4.4372 -4.4372 -4.2646 -4.2646 2.6280 2.6280 3.2026 3.2026 11.0925 11.0925 12.4533 12.4533 16.5839 16.5839 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1838-1.0344 ( 862 PWs) bands (ev): -25.3101 -25.3101 -12.1542 -12.1542 -5.4320 -5.4320 -4.5530 -4.5530 -4.4049 -4.4049 2.0157 2.0157 3.1415 3.1415 11.6507 11.6507 13.6315 13.6315 16.6693 16.6693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1838-0.8904 ( 872 PWs) bands (ev): -25.2284 -25.2284 -11.8725 -11.8725 -5.8822 -5.8822 -4.6649 -4.6649 -4.5327 -4.5327 1.4709 1.4709 3.0925 3.0925 12.2088 12.2088 14.4007 14.4007 16.7850 16.7850 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1838-0.7464 ( 870 PWs) bands (ev): -25.1805 -25.1805 -11.6749 -11.6749 -6.1432 -6.1432 -4.7616 -4.7616 -4.6096 -4.6096 1.1480 1.1480 3.0704 3.0704 12.5856 12.5856 14.4398 14.4398 17.3438 17.3438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1243 0.0000 ( 864 PWs) bands (ev): -25.1687 -25.1687 -11.6159 -11.6159 -6.1125 -6.1125 -4.8036 -4.8036 -4.7521 -4.7521 1.1436 1.1436 2.9802 2.9802 12.6758 12.6758 14.5936 14.5936 17.9459 17.9459 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1243 0.1440 ( 869 PWs) bands (ev): -25.1936 -25.1936 -11.7060 -11.7060 -5.9957 -5.9957 -4.7658 -4.7658 -4.7042 -4.7042 1.2935 1.2935 3.0007 3.0007 12.4882 12.4882 14.6522 14.6522 17.3797 17.3797 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1243 0.2880 ( 869 PWs) bands (ev): -25.2597 -25.2597 -11.9374 -11.9374 -5.6746 -5.6746 -4.6702 -4.6702 -4.5738 -4.5738 1.7021 1.7021 3.0563 3.0563 12.0276 12.0276 14.3782 14.3782 16.8057 16.8057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1243 0.4320 ( 862 PWs) bands (ev): -25.3446 -25.3446 -12.2208 -12.2208 -5.2398 -5.2398 -4.5484 -4.5484 -4.3998 -4.3998 2.2557 2.2557 3.1305 3.1305 11.4666 11.4666 13.3449 13.3449 16.6685 16.6685 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1243 0.5760 ( 866 PWs) bands (ev): -25.4211 -25.4211 -12.4647 -12.4647 -4.8480 -4.8480 -4.4062 -4.4062 -4.2398 -4.2398 2.7892 2.7892 3.2019 3.2019 10.9670 10.9670 12.2287 12.2287 16.5236 16.5236 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1243 0.7201 ( 874 PWs) bands (ev): -25.4659 -25.4659 -12.6031 -12.6031 -4.6589 -4.6589 -4.2524 -4.2524 -4.1564 -4.1564 3.1115 3.1115 3.2574 3.2574 10.6773 10.6773 11.5448 11.5448 16.4034 16.4034 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1243-0.7201 ( 874 PWs) bands (ev): -25.4659 -25.4659 -12.6031 -12.6031 -4.6589 -4.6589 -4.2524 -4.2524 -4.1564 -4.1564 3.1115 3.1115 3.2574 3.2574 10.6773 10.6773 11.5448 11.5448 16.4034 16.4034 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1243-0.5760 ( 866 PWs) bands (ev): -25.4211 -25.4211 -12.4647 -12.4647 -4.8480 -4.8480 -4.4062 -4.4062 -4.2398 -4.2398 2.7892 2.7892 3.2019 3.2019 10.9670 10.9670 12.2287 12.2287 16.5236 16.5236 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1243-0.4320 ( 862 PWs) bands (ev): -25.3446 -25.3446 -12.2208 -12.2208 -5.2398 -5.2398 -4.5484 -4.5484 -4.3998 -4.3998 2.2557 2.2557 3.1305 3.1305 11.4666 11.4666 13.3449 13.3449 16.6685 16.6685 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1243-0.2880 ( 869 PWs) bands (ev): -25.2597 -25.2597 -11.9374 -11.9374 -5.6746 -5.6746 -4.6702 -4.6702 -4.5738 -4.5738 1.7021 1.7021 3.0563 3.0563 12.0276 12.0276 14.3782 14.3782 16.8057 16.8057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1243-0.1440 ( 869 PWs) bands (ev): -25.1936 -25.1936 -11.7060 -11.7060 -5.9957 -5.9957 -4.7658 -4.7658 -4.7042 -4.7042 1.2935 1.2935 3.0007 3.0007 12.4882 12.4882 14.6522 14.6522 17.3796 17.3796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.9935-0.0602 ( 868 PWs) bands (ev): -25.1620 -25.1620 -11.5427 -11.5427 -5.9615 -5.9615 -5.0760 -5.0760 -4.8259 -4.8259 1.3190 1.3190 2.7122 2.7122 12.8044 12.8044 15.0891 15.0891 17.6903 17.6903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.9935 0.0838 ( 872 PWs) bands (ev): -25.1598 -25.1598 -11.5750 -11.5750 -5.9516 -5.9516 -5.0649 -5.0649 -4.7939 -4.7939 1.3171 1.3171 2.7120 2.7120 12.7865 12.7865 15.1185 15.1185 17.3306 17.3306 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.9935 0.2278 ( 871 PWs) bands (ev): -25.1993 -25.1993 -11.7555 -11.7555 -5.8105 -5.8105 -4.8954 -4.8954 -4.7006 -4.7006 1.5338 1.5338 2.7910 2.7910 12.4541 12.4541 15.2292 15.2292 16.5216 16.5216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.9935 0.3718 ( 870 PWs) bands (ev): -25.2673 -25.2673 -12.0126 -12.0126 -5.5512 -5.5512 -4.6471 -4.6471 -4.5816 -4.5816 1.8996 1.8996 2.9314 2.9314 11.9535 11.9535 14.4327 14.4327 16.4568 16.4568 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.9935 0.5158 ( 864 PWs) bands (ev): -25.3414 -25.3414 -12.2588 -12.2588 -5.2244 -5.2244 -4.5130 -4.5130 -4.3854 -4.3854 2.3025 2.3025 3.0909 3.0909 11.4533 11.4533 13.2614 13.2614 16.6360 16.6360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.9935 0.6598 ( 862 PWs) bands (ev): -25.3984 -25.3984 -12.4233 -12.4233 -4.9395 -4.9395 -4.4372 -4.4372 -4.2646 -4.2646 2.6280 2.6280 3.2026 3.2026 11.0925 11.0925 12.4533 12.4533 16.5839 16.5839 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.9935-0.7803 ( 866 PWs) bands (ev): -25.4211 -25.4211 -12.4647 -12.4647 -4.8480 -4.8480 -4.4062 -4.4062 -4.2398 -4.2398 2.7892 2.7892 3.2019 3.2019 10.9670 10.9670 12.2287 12.2287 16.5236 16.5236 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.9935-0.6363 ( 864 PWs) bands (ev): -25.4027 -25.4027 -12.3732 -12.3732 -4.9908 -4.9908 -4.5092 -4.5092 -4.2325 -4.2325 2.6998 2.6998 3.1199 3.1199 11.1213 11.1213 12.6183 12.6183 16.5485 16.5485 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.9935-0.4923 ( 864 PWs) bands (ev): -25.3487 -25.3487 -12.1707 -12.1707 -5.2844 -5.2844 -4.6473 -4.6473 -4.3473 -4.3473 2.3600 2.3600 3.0230 3.0230 11.5169 11.5169 13.5101 13.5101 16.6270 16.6270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9989 0.9989 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.9935-0.3483 ( 869 PWs) bands (ev): -25.2752 -25.2752 -11.9104 -11.9104 -5.6001 -5.6001 -4.7893 -4.7893 -4.5659 -4.5659 1.9260 1.9260 2.9025 2.9025 12.0302 12.0302 14.6134 14.6134 16.6908 16.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.9935-0.2042 ( 862 PWs) bands (ev): -25.2054 -25.2054 -11.6722 -11.6722 -5.8408 -5.8408 -4.9467 -4.9467 -4.7579 -4.7579 1.5427 1.5427 2.7852 2.7852 12.5093 12.5093 15.1591 15.1591 17.1690 17.1690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8627-0.1205 ( 871 PWs) bands (ev): -25.1646 -25.1646 -11.4411 -11.4411 -5.8923 -5.8923 -5.3281 -5.3281 -4.8432 -4.8432 1.6024 1.6024 2.3969 2.3969 12.9622 12.9622 15.5451 15.5451 17.1338 17.1338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9840 0.9840 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8627 0.0235 ( 868 PWs) bands (ev): -25.1439 -25.1439 -11.4321 -11.4321 -5.7752 -5.7752 -5.4975 -5.4975 -4.8540 -4.8540 1.5079 1.5079 2.3550 2.3550 13.0571 13.0571 15.4737 15.4737 17.2734 17.2734 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9993 0.9993 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8627 0.1675 ( 868 PWs) bands (ev): -25.1566 -25.1566 -11.5569 -11.5569 -5.8401 -5.8401 -5.2553 -5.2553 -4.7752 -4.7752 1.4845 1.4845 2.4971 2.4971 12.8707 12.8707 15.6284 15.6284 16.6772 16.6772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0375 0.0375 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8627 0.3116 ( 871 PWs) bands (ev): -25.1984 -25.1984 -11.7664 -11.7664 -5.8347 -5.8347 -4.8784 -4.8784 -4.6721 -4.6721 1.5677 1.5677 2.7503 2.7503 12.4753 12.4753 15.5109 15.5109 16.0345 16.0345 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8627 0.4556 ( 870 PWs) bands (ev): -25.2557 -25.2557 -11.9878 -11.9878 -5.6794 -5.6794 -4.6062 -4.6062 -4.5473 -4.5473 1.7595 1.7595 2.9997 2.9997 12.0213 12.0213 14.3946 14.3946 16.4532 16.4532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8627 0.5996 ( 862 PWs) bands (ev): -25.3101 -25.3101 -12.1542 -12.1542 -5.4320 -5.4320 -4.5530 -4.5530 -4.4049 -4.4049 2.0157 2.0157 3.1415 3.1415 11.6507 11.6507 13.6315 13.6315 16.6693 16.6693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8627-0.8405 ( 862 PWs) bands (ev): -25.3446 -25.3446 -12.2208 -12.2208 -5.2398 -5.2398 -4.5484 -4.5484 -4.3998 -4.3998 2.2557 2.2557 3.1305 3.1305 11.4666 11.4666 13.3449 13.3449 16.6685 16.6685 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8627-0.6965 ( 864 PWs) bands (ev): -25.3487 -25.3487 -12.1707 -12.1707 -5.2844 -5.2844 -4.6473 -4.6473 -4.3473 -4.3473 2.3600 2.3600 3.0230 3.0230 11.5169 11.5169 13.5101 13.5101 16.6270 16.6270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9989 0.9989 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8627-0.5525 ( 865 PWs) bands (ev): -25.3211 -25.3211 -12.0160 -12.0160 -5.5257 -5.5257 -4.7930 -4.7930 -4.3190 -4.3190 2.2359 2.2359 2.9198 2.9198 11.7848 11.7848 14.0726 14.0726 16.5808 16.5808 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8627-0.4085 ( 870 PWs) bands (ev): -25.2702 -25.2702 -11.7976 -11.7976 -5.7785 -5.7785 -4.9441 -4.9441 -4.4430 -4.4430 1.9887 1.9887 2.7818 2.7818 12.1984 12.1984 14.9414 14.9414 16.4450 16.4450 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8627-0.2645 ( 866 PWs) bands (ev): -25.2118 -25.2118 -11.5810 -11.5810 -5.9175 -5.9175 -5.1069 -5.1069 -4.6766 -4.6766 1.7603 1.7603 2.5799 2.5799 12.6372 12.6372 15.6271 15.6271 16.5186 16.5186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7319-0.1807 ( 864 PWs) bands (ev): -25.1755 -25.1755 -11.3408 -11.3408 -6.1209 -6.1209 -5.3474 -5.3474 -4.7263 -4.7263 1.7887 1.7887 2.2698 2.2698 13.1024 13.1024 15.7138 15.7138 16.3655 16.3655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7319-0.0367 ( 862 PWs) bands (ev): -25.1512 -25.1512 -11.3214 -11.3214 -5.9203 -5.9203 -5.5100 -5.5100 -4.8721 -4.8721 1.8282 1.8282 2.0436 2.0436 13.2139 13.2139 15.6153 15.6153 16.9059 16.9059 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7319 0.1073 ( 863 PWs) bands (ev): -25.1456 -25.1456 -11.4055 -11.4055 -5.8826 -5.8826 -5.4208 -5.4208 -4.8586 -4.8586 1.5470 1.5470 2.3051 2.3051 13.1261 13.1261 15.5337 15.5337 17.0364 17.0364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7319 0.2513 ( 866 PWs) bands (ev): -25.1606 -25.1606 -11.5607 -11.5607 -6.0200 -6.0200 -5.0267 -5.0267 -4.7773 -4.7773 1.3594 1.3594 2.6516 2.6516 12.8660 12.8660 15.3075 15.3075 16.7555 16.7555 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7319 0.3953 ( 874 PWs) bands (ev): -25.1915 -25.1915 -11.7339 -11.7339 -6.0254 -6.0254 -4.7117 -4.7117 -4.6776 -4.6776 1.3377 1.3377 2.9460 2.9460 12.5225 12.5225 14.7915 14.7915 16.6830 16.6830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7319 0.5393 ( 872 PWs) bands (ev): -25.2284 -25.2284 -11.8725 -11.8725 -5.8822 -5.8822 -4.6649 -4.6649 -4.5327 -4.5327 1.4709 1.4709 3.0925 3.0925 12.2088 12.2088 14.4007 14.4007 16.7850 16.7850 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7319-0.9008 ( 869 PWs) bands (ev): -25.2597 -25.2597 -11.9374 -11.9374 -5.6746 -5.6746 -4.6702 -4.6702 -4.5738 -4.5738 1.7021 1.7021 3.0563 3.0563 12.0276 12.0276 14.3782 14.3782 16.8057 16.8057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7319-0.7568 ( 869 PWs) bands (ev): -25.2752 -25.2752 -11.9104 -11.9104 -5.6001 -5.6001 -4.7893 -4.7893 -4.5659 -4.5659 1.9260 1.9260 2.9025 2.9025 12.0302 12.0302 14.6134 14.6134 16.6908 16.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7319-0.6127 ( 870 PWs) bands (ev): -25.2702 -25.2702 -11.7976 -11.7976 -5.7785 -5.7785 -4.9441 -4.9441 -4.4430 -4.4430 1.9887 1.9887 2.7818 2.7818 12.1984 12.1984 14.9414 14.9414 16.4450 16.4450 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7319-0.4687 ( 872 PWs) bands (ev): -25.2462 -25.2462 -11.6296 -11.6296 -6.0236 -6.0236 -5.0916 -5.0916 -4.3883 -4.3883 1.8752 1.8752 2.7198 2.7198 12.4867 12.4867 15.3126 15.3126 16.1318 16.1318 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7319-0.3247 ( 869 PWs) bands (ev): -25.2109 -25.2109 -11.4578 -11.4578 -6.1611 -6.1611 -5.2241 -5.2241 -4.5029 -4.5029 1.7712 1.7712 2.5621 2.5621 12.8266 12.8266 15.7581 15.7581 15.8980 15.8980 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6011-0.2409 ( 865 PWs) bands (ev): -25.1913 -25.1913 -11.2756 -11.2756 -6.3274 -6.3274 -5.3890 -5.3890 -4.5142 -4.5142 1.7299 1.7299 2.4464 2.4464 13.1787 13.1787 15.3682 15.3682 16.0889 16.0889 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.6182 0.6182 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6011-0.0969 ( 861 PWs) bands (ev): -25.1791 -25.1791 -11.2820 -11.2820 -6.1721 -6.1721 -5.3928 -5.3928 -4.7159 -4.7159 1.8579 1.8579 2.1962 2.1962 13.1997 13.1997 15.5665 15.5665 16.4305 16.4305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6011 0.0471 ( 865 PWs) bands (ev): -25.1700 -25.1700 -11.3567 -11.3567 -6.0218 -6.0218 -5.3097 -5.3097 -4.8534 -4.8534 1.6698 1.6698 2.3136 2.3136 13.1110 13.1110 15.5111 15.5111 16.9739 16.9739 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6011 0.1911 ( 869 PWs) bands (ev): -25.1668 -25.1668 -11.4715 -11.4715 -6.0738 -6.0738 -5.0377 -5.0377 -4.8513 -4.8513 1.3552 1.3552 2.6511 2.6511 12.9450 12.9450 15.1782 15.1782 17.2038 17.2038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6011 0.3351 ( 869 PWs) bands (ev): -25.1706 -25.1706 -11.5889 -11.5889 -6.1654 -6.1654 -4.7992 -4.7992 -4.7378 -4.7378 1.1652 1.1652 2.9399 2.9399 12.7531 12.7531 14.6905 14.6905 17.2560 17.2560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6011 0.4791 ( 870 PWs) bands (ev): -25.1805 -25.1805 -11.6749 -11.6749 -6.1432 -6.1432 -4.7616 -4.7616 -4.6096 -4.6096 1.1480 1.1480 3.0704 3.0704 12.5856 12.5856 14.4398 14.4398 17.3438 17.3438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6011-0.9610 ( 869 PWs) bands (ev): -25.1936 -25.1936 -11.7060 -11.7060 -5.9957 -5.9957 -4.7658 -4.7658 -4.7042 -4.7042 1.2935 1.2935 3.0007 3.0007 12.4882 12.4882 14.6522 14.6522 17.3796 17.3797 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6011-0.8170 ( 862 PWs) bands (ev): -25.2054 -25.2054 -11.6722 -11.6722 -5.8408 -5.8408 -4.9467 -4.9467 -4.7579 -4.7579 1.5427 1.5427 2.7852 2.7852 12.5093 12.5093 15.1591 15.1591 17.1690 17.1690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6011-0.6730 ( 866 PWs) bands (ev): -25.2118 -25.2118 -11.5810 -11.5810 -5.9175 -5.9175 -5.1069 -5.1069 -4.6766 -4.6766 1.7603 1.7603 2.5799 2.5799 12.6372 12.6372 15.6271 15.6271 16.5186 16.5186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6011-0.5290 ( 869 PWs) bands (ev): -25.2109 -25.2109 -11.4578 -11.4578 -6.1611 -6.1611 -5.2241 -5.2241 -4.5029 -4.5029 1.7712 1.7712 2.5621 2.5621 12.8266 12.8266 15.7581 15.7581 15.8980 15.8980 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6011-0.3850 ( 873 PWs) bands (ev): -25.2032 -25.2032 -11.3423 -11.3423 -6.3289 -6.3289 -5.3293 -5.3293 -4.4204 -4.4204 1.6995 1.6995 2.5826 2.5826 13.0334 13.0334 15.3355 15.3355 15.9918 15.9918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 the Fermi energy is 2.4530 ev ! total energy = -64.48325714 Ry Harris-Foulkes estimate = -64.48325714 Ry estimated scf accuracy < 1.9E-09 Ry The total energy is the sum of the following terms: one-electron contribution = -30.27752970 Ry hartree contribution = 20.39371636 Ry xc contribution = -14.48969404 Ry ewald contribution = -40.10968644 Ry smearing contrib. (-TS) = -0.00006332 Ry convergence has been achieved in 7 iterations Writing output data file O2.save init_run : 2.93s CPU 3.20s WALL ( 1 calls) electrons : 97.77s CPU 102.14s WALL ( 1 calls) Called by init_run: wfcinit : 2.66s CPU 2.81s WALL ( 1 calls) potinit : 0.01s CPU 0.01s WALL ( 1 calls) Called by electrons: c_bands : 88.73s CPU 92.70s WALL ( 8 calls) sum_band : 8.96s CPU 9.32s WALL ( 8 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 8 calls) v_h : 0.00s CPU 0.00s WALL ( 8 calls) v_xc : 0.02s CPU 0.02s WALL ( 8 calls) newd : 0.01s CPU 0.01s WALL ( 8 calls) mix_rho : 0.01s CPU 0.01s WALL ( 8 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.12s WALL ( 11322 calls) cegterg : 87.72s CPU 90.47s WALL ( 5328 calls) Called by sum_band: sum_band:bec : 0.68s CPU 0.70s WALL ( 5328 calls) addusdens : 0.00s CPU 0.01s WALL ( 8 calls) Called by *egterg: h_psi : 43.04s CPU 44.44s WALL ( 23611 calls) s_psi : 0.56s CPU 0.56s WALL ( 23611 calls) g_psi : 0.08s CPU 0.08s WALL ( 17617 calls) cdiaghg : 39.84s CPU 40.96s WALL ( 22279 calls) cegterg:over : 2.14s CPU 2.12s WALL ( 17617 calls) cegterg:upda : 1.52s CPU 1.73s WALL ( 17617 calls) cegterg:last : 0.63s CPU 0.70s WALL ( 5415 calls) cdiaghg:chol : 2.19s CPU 2.31s WALL ( 22279 calls) cdiaghg:inve : 0.55s CPU 0.51s WALL ( 22279 calls) cdiaghg:para : 3.00s CPU 3.05s WALL ( 44558 calls) Called by h_psi: h_psi:vloc : 40.92s CPU 42.25s WALL ( 23611 calls) h_psi:vnl : 2.04s CPU 2.11s WALL ( 23611 calls) add_vuspsi : 0.78s CPU 0.73s WALL ( 23611 calls) General routines calbec : 1.58s CPU 1.68s WALL ( 28939 calls) fft : 0.04s CPU 0.04s WALL ( 242 calls) ffts : 0.00s CPU 0.00s WALL ( 64 calls) fftw : 43.74s CPU 45.11s WALL ( 1431592 calls) interpolate : 0.01s CPU 0.01s WALL ( 64 calls) Parallel routines fft_scatter : 26.86s CPU 27.74s WALL ( 1431898 calls) PWSCF : 1m48.01s CPU 2m 3.84s WALL This run was terminated on: 21: 3: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=