Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:15:59 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 6 5 2 61 48 13 Max 7 6 4 64 53 14 Sum 219 185 81 2251 1819 485 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 3.9284 a.u. unit-cell volume = 54.0569 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 6.00 number of Kohn-Sham states= 14 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 182.0000 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)= 3.928391 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.242485 celldm(5)= -0.242485 celldm(6)= -0.242485 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.242485 0.970155 0.000000 ) a(3) = ( -0.242485 -0.310553 0.919107 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.249945 0.348280 ) b(2) = ( 0.000000 1.030763 0.348280 ) b(3) = ( 0.000000 0.000000 1.088012 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 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= 1099 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0004552 k( 2) = ( 0.0000000 0.0000000 0.0836933), wk = 0.0009103 k( 3) = ( 0.0000000 0.0000000 0.1673865), wk = 0.0009103 k( 4) = ( 0.0000000 0.0000000 0.2510798), wk = 0.0009103 k( 5) = ( 0.0000000 0.0000000 0.3347731), wk = 0.0009103 k( 6) = ( 0.0000000 0.0000000 0.4184663), wk = 0.0009103 k( 7) = ( 0.0000000 0.0000000 0.5021596), wk = 0.0009103 k( 8) = ( 0.0000000 0.0792895 0.0267907), wk = 0.0009103 k( 9) = ( 0.0000000 0.0792895 0.1104840), wk = 0.0009103 k( 10) = ( 0.0000000 0.0792895 0.1941773), wk = 0.0009103 k( 11) = ( 0.0000000 0.0792895 0.2778705), wk = 0.0009103 k( 12) = ( 0.0000000 0.0792895 0.3615638), wk = 0.0009103 k( 13) = ( 0.0000000 0.0792895 0.4452571), wk = 0.0009103 k( 14) = ( 0.0000000 0.0792895 0.5289503), wk = 0.0009103 k( 15) = ( 0.0000000 0.0792895 -0.4753689), wk = 0.0009103 k( 16) = ( 0.0000000 0.0792895 -0.3916756), wk = 0.0009103 k( 17) = ( 0.0000000 0.0792895 -0.3079823), wk = 0.0009103 k( 18) = ( 0.0000000 0.0792895 -0.2242891), wk = 0.0009103 k( 19) = ( 0.0000000 0.0792895 -0.1405958), wk = 0.0009103 k( 20) = ( 0.0000000 0.0792895 -0.0569025), wk = 0.0009103 k( 21) = ( 0.0000000 0.1585789 0.0535815), wk = 0.0009103 k( 22) = ( 0.0000000 0.1585789 0.1372747), wk = 0.0009103 k( 23) = ( 0.0000000 0.1585789 0.2209680), wk = 0.0009103 k( 24) = ( 0.0000000 0.1585789 0.3046613), wk = 0.0009103 k( 25) = ( 0.0000000 0.1585789 0.3883545), wk = 0.0009103 k( 26) = ( 0.0000000 0.1585789 0.4720478), wk = 0.0009103 k( 27) = ( 0.0000000 0.1585789 0.5557411), wk = 0.0009103 k( 28) = ( 0.0000000 0.1585789 -0.4485781), wk = 0.0009103 k( 29) = ( 0.0000000 0.1585789 -0.3648848), wk = 0.0009103 k( 30) = ( 0.0000000 0.1585789 -0.2811916), wk = 0.0009103 k( 31) = ( 0.0000000 0.1585789 -0.1974983), wk = 0.0009103 k( 32) = ( 0.0000000 0.1585789 -0.1138050), wk = 0.0009103 k( 33) = ( 0.0000000 0.1585789 -0.0301118), wk = 0.0009103 k( 34) = ( 0.0000000 0.2378684 0.0803722), wk = 0.0009103 k( 35) = ( 0.0000000 0.2378684 0.1640655), wk = 0.0009103 k( 36) = ( 0.0000000 0.2378684 0.2477588), wk = 0.0009103 k( 37) = ( 0.0000000 0.2378684 0.3314520), wk = 0.0009103 k( 38) = ( 0.0000000 0.2378684 0.4151453), wk = 0.0009103 k( 39) = ( 0.0000000 0.2378684 0.4988386), wk = 0.0009103 k( 40) = ( 0.0000000 0.2378684 0.5825318), wk = 0.0009103 k( 41) = ( 0.0000000 0.2378684 -0.4217874), wk = 0.0009103 k( 42) = ( 0.0000000 0.2378684 -0.3380941), wk = 0.0009103 k( 43) = ( 0.0000000 0.2378684 -0.2544008), wk = 0.0009103 k( 44) = ( 0.0000000 0.2378684 -0.1707076), wk = 0.0009103 k( 45) = ( 0.0000000 0.2378684 -0.0870143), wk = 0.0009103 k( 46) = ( 0.0000000 0.2378684 -0.0033210), wk = 0.0009103 k( 47) = ( 0.0000000 0.3171579 0.1071630), wk = 0.0009103 k( 48) = ( 0.0000000 0.3171579 0.1908562), wk = 0.0009103 k( 49) = ( 0.0000000 0.3171579 0.2745495), wk = 0.0009103 k( 50) = ( 0.0000000 0.3171579 0.3582428), wk = 0.0009103 k( 51) = ( 0.0000000 0.3171579 0.4419360), wk = 0.0009103 k( 52) = ( 0.0000000 0.3171579 0.5256293), wk = 0.0009103 k( 53) = ( 0.0000000 0.3171579 0.6093226), wk = 0.0009103 k( 54) = ( 0.0000000 0.3171579 -0.3949966), wk = 0.0009103 k( 55) = ( 0.0000000 0.3171579 -0.3113034), wk = 0.0009103 k( 56) = ( 0.0000000 0.3171579 -0.2276101), wk = 0.0009103 k( 57) = ( 0.0000000 0.3171579 -0.1439168), wk = 0.0009103 k( 58) = ( 0.0000000 0.3171579 -0.0602236), wk = 0.0009103 k( 59) = ( 0.0000000 0.3171579 0.0234697), wk = 0.0009103 k( 60) = ( 0.0000000 0.3964473 0.1339537), wk = 0.0009103 k( 61) = ( 0.0000000 0.3964473 0.2176470), wk = 0.0009103 k( 62) = ( 0.0000000 0.3964473 0.3013402), wk = 0.0009103 k( 63) = ( 0.0000000 0.3964473 0.3850335), wk = 0.0009103 k( 64) = ( 0.0000000 0.3964473 0.4687268), wk = 0.0009103 k( 65) = ( 0.0000000 0.3964473 0.5524200), wk = 0.0009103 k( 66) = ( 0.0000000 0.3964473 0.6361133), wk = 0.0009103 k( 67) = ( 0.0000000 0.3964473 -0.3682059), wk = 0.0009103 k( 68) = ( 0.0000000 0.3964473 -0.2845126), wk = 0.0009103 k( 69) = ( 0.0000000 0.3964473 -0.2008194), wk = 0.0009103 k( 70) = ( 0.0000000 0.3964473 -0.1171261), wk = 0.0009103 k( 71) = ( 0.0000000 0.3964473 -0.0334328), wk = 0.0009103 k( 72) = ( 0.0000000 0.3964473 0.0502604), wk = 0.0009103 k( 73) = ( 0.0000000 0.4757368 0.1607444), wk = 0.0009103 k( 74) = ( 0.0000000 0.4757368 0.2444377), wk = 0.0009103 k( 75) = ( 0.0000000 0.4757368 0.3281310), wk = 0.0009103 k( 76) = ( 0.0000000 0.4757368 0.4118242), wk = 0.0009103 k( 77) = ( 0.0000000 0.4757368 0.4955175), wk = 0.0009103 k( 78) = ( 0.0000000 0.4757368 0.5792108), wk = 0.0009103 k( 79) = ( 0.0000000 0.4757368 0.6629040), wk = 0.0009103 k( 80) = ( 0.0000000 0.4757368 -0.3414151), wk = 0.0009103 k( 81) = ( 0.0000000 0.4757368 -0.2577219), wk = 0.0009103 k( 82) = ( 0.0000000 0.4757368 -0.1740286), wk = 0.0009103 k( 83) = ( 0.0000000 0.4757368 -0.0903353), wk = 0.0009103 k( 84) = ( 0.0000000 0.4757368 -0.0066421), wk = 0.0009103 k( 85) = ( 0.0000000 0.4757368 0.0770512), wk = 0.0009103 k( 86) = ( 0.0769231 0.0192265 0.0267907), wk = 0.0009103 k( 87) = ( 0.0769231 0.0192265 0.1104840), wk = 0.0009103 k( 88) = ( 0.0769231 0.0192265 0.1941773), wk = 0.0009103 k( 89) = ( 0.0769231 0.0192265 0.2778705), wk = 0.0009103 k( 90) = ( 0.0769231 0.0192265 0.3615638), wk = 0.0009103 k( 91) = ( 0.0769231 0.0192265 0.4452571), wk = 0.0009103 k( 92) = ( 0.0769231 0.0192265 0.5289503), wk = 0.0009103 k( 93) = ( 0.0769231 0.0192265 -0.4753689), wk = 0.0009103 k( 94) = ( 0.0769231 0.0192265 -0.3916756), wk = 0.0009103 k( 95) = ( 0.0769231 0.0192265 -0.3079823), wk = 0.0009103 k( 96) = ( 0.0769231 0.0192265 -0.2242891), wk = 0.0009103 k( 97) = ( 0.0769231 0.0192265 -0.1405958), wk = 0.0009103 k( 98) = ( 0.0769231 0.0192265 -0.0569025), wk = 0.0009103 k( 99) = ( 0.0769231 0.0985160 0.0535815), wk = 0.0009103 k( 100) = ( 0.0769231 0.0985160 0.1372747), wk = 0.0009103 k( 101) = ( 0.0769231 0.0985160 0.2209680), wk = 0.0009103 k( 102) = ( 0.0769231 0.0985160 0.3046613), wk = 0.0009103 k( 103) = ( 0.0769231 0.0985160 0.3883545), wk = 0.0009103 k( 104) = ( 0.0769231 0.0985160 0.4720478), wk = 0.0009103 k( 105) = ( 0.0769231 0.0985160 0.5557411), wk = 0.0009103 k( 106) = ( 0.0769231 0.0985160 -0.4485781), wk = 0.0009103 k( 107) = ( 0.0769231 0.0985160 -0.3648848), wk = 0.0009103 k( 108) = ( 0.0769231 0.0985160 -0.2811916), wk = 0.0009103 k( 109) = ( 0.0769231 0.0985160 -0.1974983), wk = 0.0009103 k( 110) = ( 0.0769231 0.0985160 -0.1138050), wk = 0.0009103 k( 111) = ( 0.0769231 0.0985160 -0.0301118), wk = 0.0009103 k( 112) = ( 0.0769231 0.1778055 0.0803722), wk = 0.0009103 k( 113) = ( 0.0769231 0.1778055 0.1640655), wk = 0.0009103 k( 114) = ( 0.0769231 0.1778055 0.2477588), wk = 0.0009103 k( 115) = ( 0.0769231 0.1778055 0.3314520), wk = 0.0009103 k( 116) = ( 0.0769231 0.1778055 0.4151453), wk = 0.0009103 k( 117) = ( 0.0769231 0.1778055 0.4988386), wk = 0.0009103 k( 118) = ( 0.0769231 0.1778055 0.5825318), wk = 0.0009103 k( 119) = ( 0.0769231 0.1778055 -0.4217874), wk = 0.0009103 k( 120) = ( 0.0769231 0.1778055 -0.3380941), wk = 0.0009103 k( 121) = ( 0.0769231 0.1778055 -0.2544008), wk = 0.0009103 k( 122) = ( 0.0769231 0.1778055 -0.1707076), wk = 0.0009103 k( 123) = ( 0.0769231 0.1778055 -0.0870143), wk = 0.0009103 k( 124) = ( 0.0769231 0.1778055 -0.0033210), wk = 0.0009103 k( 125) = ( 0.0769231 0.2570949 0.1071630), wk = 0.0009103 k( 126) = ( 0.0769231 0.2570949 0.1908562), wk = 0.0009103 k( 127) = ( 0.0769231 0.2570949 0.2745495), wk = 0.0009103 k( 128) = ( 0.0769231 0.2570949 0.3582428), wk = 0.0009103 k( 129) = ( 0.0769231 0.2570949 0.4419360), wk = 0.0009103 k( 130) = ( 0.0769231 0.2570949 0.5256293), wk = 0.0009103 k( 131) = ( 0.0769231 0.2570949 0.6093226), wk = 0.0009103 k( 132) = ( 0.0769231 0.2570949 -0.3949966), wk = 0.0009103 k( 133) = ( 0.0769231 0.2570949 -0.3113034), wk = 0.0009103 k( 134) = ( 0.0769231 0.2570949 -0.2276101), wk = 0.0009103 k( 135) = ( 0.0769231 0.2570949 -0.1439168), wk = 0.0009103 k( 136) = ( 0.0769231 0.2570949 -0.0602236), wk = 0.0009103 k( 137) = ( 0.0769231 0.2570949 0.0234697), wk = 0.0009103 k( 138) = ( 0.0769231 0.3363844 0.1339537), wk = 0.0009103 k( 139) = ( 0.0769231 0.3363844 0.2176470), wk = 0.0009103 k( 140) = ( 0.0769231 0.3363844 0.3013402), wk = 0.0009103 k( 141) = ( 0.0769231 0.3363844 0.3850335), wk = 0.0009103 k( 142) = ( 0.0769231 0.3363844 0.4687268), wk = 0.0009103 k( 143) = ( 0.0769231 0.3363844 0.5524200), wk = 0.0009103 k( 144) = ( 0.0769231 0.3363844 0.6361133), wk = 0.0009103 k( 145) = ( 0.0769231 0.3363844 -0.3682059), wk = 0.0009103 k( 146) = ( 0.0769231 0.3363844 -0.2845126), wk = 0.0009103 k( 147) = ( 0.0769231 0.3363844 -0.2008194), wk = 0.0009103 k( 148) = ( 0.0769231 0.3363844 -0.1171261), wk = 0.0009103 k( 149) = ( 0.0769231 0.3363844 -0.0334328), wk = 0.0009103 k( 150) = ( 0.0769231 0.3363844 0.0502604), wk = 0.0009103 k( 151) = ( 0.0769231 0.4156738 0.1607444), wk = 0.0009103 k( 152) = ( 0.0769231 0.4156738 0.2444377), wk = 0.0009103 k( 153) = ( 0.0769231 0.4156738 0.3281310), wk = 0.0009103 k( 154) = ( 0.0769231 0.4156738 0.4118242), wk = 0.0009103 k( 155) = ( 0.0769231 0.4156738 0.4955175), wk = 0.0009103 k( 156) = ( 0.0769231 0.4156738 0.5792108), wk = 0.0009103 k( 157) = ( 0.0769231 0.4156738 0.6629040), wk = 0.0009103 k( 158) = ( 0.0769231 0.4156738 -0.3414151), wk = 0.0009103 k( 159) = ( 0.0769231 0.4156738 -0.2577219), wk = 0.0009103 k( 160) = ( 0.0769231 0.4156738 -0.1740286), wk = 0.0009103 k( 161) = ( 0.0769231 0.4156738 -0.0903353), wk = 0.0009103 k( 162) = ( 0.0769231 0.4156738 -0.0066421), wk = 0.0009103 k( 163) = ( 0.0769231 0.4156738 0.0770512), wk = 0.0009103 k( 164) = ( 0.0769231 0.4949633 0.1875352), wk = 0.0009103 k( 165) = ( 0.0769231 0.4949633 0.2712285), wk = 0.0009103 k( 166) = ( 0.0769231 0.4949633 0.3549217), wk = 0.0009103 k( 167) = ( 0.0769231 0.4949633 0.4386150), wk = 0.0009103 k( 168) = ( 0.0769231 0.4949633 0.5223083), wk = 0.0009103 k( 169) = ( 0.0769231 0.4949633 0.6060015), wk = 0.0009103 k( 170) = ( 0.0769231 0.4949633 0.6896948), wk = 0.0009103 k( 171) = ( 0.0769231 0.4949633 -0.3146244), wk = 0.0009103 k( 172) = ( 0.0769231 0.4949633 -0.2309311), wk = 0.0009103 k( 173) = ( 0.0769231 0.4949633 -0.1472379), wk = 0.0009103 k( 174) = ( 0.0769231 0.4949633 -0.0635446), wk = 0.0009103 k( 175) = ( 0.0769231 0.4949633 0.0201487), wk = 0.0009103 k( 176) = ( 0.0769231 0.4949633 0.1038419), wk = 0.0009103 k( 177) = ( 0.0769231 -0.4565103 -0.1339537), wk = 0.0009103 k( 178) = ( 0.0769231 -0.4565103 -0.0502604), wk = 0.0009103 k( 179) = ( 0.0769231 -0.4565103 0.0334328), wk = 0.0009103 k( 180) = ( 0.0769231 -0.4565103 0.1171261), wk = 0.0009103 k( 181) = ( 0.0769231 -0.4565103 0.2008194), wk = 0.0009103 k( 182) = ( 0.0769231 -0.4565103 0.2845126), wk = 0.0009103 k( 183) = ( 0.0769231 -0.4565103 0.3682059), wk = 0.0009103 k( 184) = ( 0.0769231 -0.4565103 -0.6361133), wk = 0.0009103 k( 185) = ( 0.0769231 -0.4565103 -0.5524200), wk = 0.0009103 k( 186) = ( 0.0769231 -0.4565103 -0.4687268), wk = 0.0009103 k( 187) = ( 0.0769231 -0.4565103 -0.3850335), wk = 0.0009103 k( 188) = ( 0.0769231 -0.4565103 -0.3013402), wk = 0.0009103 k( 189) = ( 0.0769231 -0.4565103 -0.2176470), wk = 0.0009103 k( 190) = ( 0.0769231 -0.3772208 -0.1071630), wk = 0.0009103 k( 191) = ( 0.0769231 -0.3772208 -0.0234697), wk = 0.0009103 k( 192) = ( 0.0769231 -0.3772208 0.0602236), wk = 0.0009103 k( 193) = ( 0.0769231 -0.3772208 0.1439168), wk = 0.0009103 k( 194) = ( 0.0769231 -0.3772208 0.2276101), wk = 0.0009103 k( 195) = ( 0.0769231 -0.3772208 0.3113034), wk = 0.0009103 k( 196) = ( 0.0769231 -0.3772208 0.3949966), wk = 0.0009103 k( 197) = ( 0.0769231 -0.3772208 -0.6093226), wk = 0.0009103 k( 198) = ( 0.0769231 -0.3772208 -0.5256293), wk = 0.0009103 k( 199) = ( 0.0769231 -0.3772208 -0.4419360), wk = 0.0009103 k( 200) = ( 0.0769231 -0.3772208 -0.3582428), wk = 0.0009103 k( 201) = ( 0.0769231 -0.3772208 -0.2745495), wk = 0.0009103 k( 202) = ( 0.0769231 -0.3772208 -0.1908562), wk = 0.0009103 k( 203) = ( 0.0769231 -0.2979313 -0.0803722), wk = 0.0009103 k( 204) = ( 0.0769231 -0.2979313 0.0033210), wk = 0.0009103 k( 205) = ( 0.0769231 -0.2979313 0.0870143), wk = 0.0009103 k( 206) = ( 0.0769231 -0.2979313 0.1707076), wk = 0.0009103 k( 207) = ( 0.0769231 -0.2979313 0.2544008), wk = 0.0009103 k( 208) = ( 0.0769231 -0.2979313 0.3380941), wk = 0.0009103 k( 209) = ( 0.0769231 -0.2979313 0.4217874), wk = 0.0009103 k( 210) = ( 0.0769231 -0.2979313 -0.5825318), wk = 0.0009103 k( 211) = ( 0.0769231 -0.2979313 -0.4988386), wk = 0.0009103 k( 212) = ( 0.0769231 -0.2979313 -0.4151453), wk = 0.0009103 k( 213) = ( 0.0769231 -0.2979313 -0.3314520), wk = 0.0009103 k( 214) = ( 0.0769231 -0.2979313 -0.2477588), wk = 0.0009103 k( 215) = ( 0.0769231 -0.2979313 -0.1640655), wk = 0.0009103 k( 216) = ( 0.0769231 -0.2186419 -0.0535815), wk = 0.0009103 k( 217) = ( 0.0769231 -0.2186419 0.0301118), wk = 0.0009103 k( 218) = ( 0.0769231 -0.2186419 0.1138050), wk = 0.0009103 k( 219) = ( 0.0769231 -0.2186419 0.1974983), wk = 0.0009103 k( 220) = ( 0.0769231 -0.2186419 0.2811916), wk = 0.0009103 k( 221) = ( 0.0769231 -0.2186419 0.3648848), wk = 0.0009103 k( 222) = ( 0.0769231 -0.2186419 0.4485781), wk = 0.0009103 k( 223) = ( 0.0769231 -0.2186419 -0.5557411), wk = 0.0009103 k( 224) = ( 0.0769231 -0.2186419 -0.4720478), wk = 0.0009103 k( 225) = ( 0.0769231 -0.2186419 -0.3883545), wk = 0.0009103 k( 226) = ( 0.0769231 -0.2186419 -0.3046613), wk = 0.0009103 k( 227) = ( 0.0769231 -0.2186419 -0.2209680), wk = 0.0009103 k( 228) = ( 0.0769231 -0.2186419 -0.1372747), wk = 0.0009103 k( 229) = ( 0.0769231 -0.1393524 -0.0267907), wk = 0.0009103 k( 230) = ( 0.0769231 -0.1393524 0.0569025), wk = 0.0009103 k( 231) = ( 0.0769231 -0.1393524 0.1405958), wk = 0.0009103 k( 232) = ( 0.0769231 -0.1393524 0.2242891), wk = 0.0009103 k( 233) = ( 0.0769231 -0.1393524 0.3079823), wk = 0.0009103 k( 234) = ( 0.0769231 -0.1393524 0.3916756), wk = 0.0009103 k( 235) = ( 0.0769231 -0.1393524 0.4753689), wk = 0.0009103 k( 236) = ( 0.0769231 -0.1393524 -0.5289503), wk = 0.0009103 k( 237) = ( 0.0769231 -0.1393524 -0.4452571), wk = 0.0009103 k( 238) = ( 0.0769231 -0.1393524 -0.3615638), wk = 0.0009103 k( 239) = ( 0.0769231 -0.1393524 -0.2778705), wk = 0.0009103 k( 240) = ( 0.0769231 -0.1393524 -0.1941773), wk = 0.0009103 k( 241) = ( 0.0769231 -0.1393524 -0.1104840), wk = 0.0009103 k( 242) = ( 0.0769231 -0.0600629 0.0000000), wk = 0.0009103 k( 243) = ( 0.0769231 -0.0600629 0.0836933), wk = 0.0009103 k( 244) = ( 0.0769231 -0.0600629 0.1673865), wk = 0.0009103 k( 245) = ( 0.0769231 -0.0600629 0.2510798), wk = 0.0009103 k( 246) = ( 0.0769231 -0.0600629 0.3347731), wk = 0.0009103 k( 247) = ( 0.0769231 -0.0600629 0.4184663), wk = 0.0009103 k( 248) = ( 0.0769231 -0.0600629 0.5021596), wk = 0.0009103 k( 249) = ( 0.0769231 -0.0600629 -0.5021596), wk = 0.0009103 k( 250) = ( 0.0769231 -0.0600629 -0.4184663), wk = 0.0009103 k( 251) = ( 0.0769231 -0.0600629 -0.3347731), wk = 0.0009103 k( 252) = ( 0.0769231 -0.0600629 -0.2510798), wk = 0.0009103 k( 253) = ( 0.0769231 -0.0600629 -0.1673865), wk = 0.0009103 k( 254) = ( 0.0769231 -0.0600629 -0.0836933), wk = 0.0009103 k( 255) = ( 0.1538462 0.0384530 0.0535815), wk = 0.0009103 k( 256) = ( 0.1538462 0.0384530 0.1372747), wk = 0.0009103 k( 257) = ( 0.1538462 0.0384530 0.2209680), wk = 0.0009103 k( 258) = ( 0.1538462 0.0384530 0.3046613), wk = 0.0009103 k( 259) = ( 0.1538462 0.0384530 0.3883545), wk = 0.0009103 k( 260) = ( 0.1538462 0.0384530 0.4720478), wk = 0.0009103 k( 261) = ( 0.1538462 0.0384530 0.5557411), wk = 0.0009103 k( 262) = ( 0.1538462 0.0384530 -0.4485781), wk = 0.0009103 k( 263) = ( 0.1538462 0.0384530 -0.3648848), wk = 0.0009103 k( 264) = ( 0.1538462 0.0384530 -0.2811916), wk = 0.0009103 k( 265) = ( 0.1538462 0.0384530 -0.1974983), wk = 0.0009103 k( 266) = ( 0.1538462 0.0384530 -0.1138050), wk = 0.0009103 k( 267) = ( 0.1538462 0.0384530 -0.0301118), wk = 0.0009103 k( 268) = ( 0.1538462 0.1177425 0.0803722), wk = 0.0009103 k( 269) = ( 0.1538462 0.1177425 0.1640655), wk = 0.0009103 k( 270) = ( 0.1538462 0.1177425 0.2477588), wk = 0.0009103 k( 271) = ( 0.1538462 0.1177425 0.3314520), wk = 0.0009103 k( 272) = ( 0.1538462 0.1177425 0.4151453), wk = 0.0009103 k( 273) = ( 0.1538462 0.1177425 0.4988386), wk = 0.0009103 k( 274) = ( 0.1538462 0.1177425 0.5825318), wk = 0.0009103 k( 275) = ( 0.1538462 0.1177425 -0.4217874), wk = 0.0009103 k( 276) = ( 0.1538462 0.1177425 -0.3380941), wk = 0.0009103 k( 277) = ( 0.1538462 0.1177425 -0.2544008), wk = 0.0009103 k( 278) = ( 0.1538462 0.1177425 -0.1707076), wk = 0.0009103 k( 279) = ( 0.1538462 0.1177425 -0.0870143), wk = 0.0009103 k( 280) = ( 0.1538462 0.1177425 -0.0033210), wk = 0.0009103 k( 281) = ( 0.1538462 0.1970320 0.1071630), wk = 0.0009103 k( 282) = ( 0.1538462 0.1970320 0.1908562), wk = 0.0009103 k( 283) = ( 0.1538462 0.1970320 0.2745495), wk = 0.0009103 k( 284) = ( 0.1538462 0.1970320 0.3582428), wk = 0.0009103 k( 285) = ( 0.1538462 0.1970320 0.4419360), wk = 0.0009103 k( 286) = ( 0.1538462 0.1970320 0.5256293), wk = 0.0009103 k( 287) = ( 0.1538462 0.1970320 0.6093226), wk = 0.0009103 k( 288) = ( 0.1538462 0.1970320 -0.3949966), wk = 0.0009103 k( 289) = ( 0.1538462 0.1970320 -0.3113034), wk = 0.0009103 k( 290) = ( 0.1538462 0.1970320 -0.2276101), wk = 0.0009103 k( 291) = ( 0.1538462 0.1970320 -0.1439168), wk = 0.0009103 k( 292) = ( 0.1538462 0.1970320 -0.0602236), wk = 0.0009103 k( 293) = ( 0.1538462 0.1970320 0.0234697), wk = 0.0009103 k( 294) = ( 0.1538462 0.2763214 0.1339537), wk = 0.0009103 k( 295) = ( 0.1538462 0.2763214 0.2176470), wk = 0.0009103 k( 296) = ( 0.1538462 0.2763214 0.3013402), wk = 0.0009103 k( 297) = ( 0.1538462 0.2763214 0.3850335), wk = 0.0009103 k( 298) = ( 0.1538462 0.2763214 0.4687268), wk = 0.0009103 k( 299) = ( 0.1538462 0.2763214 0.5524200), wk = 0.0009103 k( 300) = ( 0.1538462 0.2763214 0.6361133), wk = 0.0009103 k( 301) = ( 0.1538462 0.2763214 -0.3682059), wk = 0.0009103 k( 302) = ( 0.1538462 0.2763214 -0.2845126), wk = 0.0009103 k( 303) = ( 0.1538462 0.2763214 -0.2008194), wk = 0.0009103 k( 304) = ( 0.1538462 0.2763214 -0.1171261), wk = 0.0009103 k( 305) = ( 0.1538462 0.2763214 -0.0334328), wk = 0.0009103 k( 306) = ( 0.1538462 0.2763214 0.0502604), wk = 0.0009103 k( 307) = ( 0.1538462 0.3556109 0.1607444), wk = 0.0009103 k( 308) = ( 0.1538462 0.3556109 0.2444377), wk = 0.0009103 k( 309) = ( 0.1538462 0.3556109 0.3281310), wk = 0.0009103 k( 310) = ( 0.1538462 0.3556109 0.4118242), wk = 0.0009103 k( 311) = ( 0.1538462 0.3556109 0.4955175), wk = 0.0009103 k( 312) = ( 0.1538462 0.3556109 0.5792108), wk = 0.0009103 k( 313) = ( 0.1538462 0.3556109 0.6629040), wk = 0.0009103 k( 314) = ( 0.1538462 0.3556109 -0.3414151), wk = 0.0009103 k( 315) = ( 0.1538462 0.3556109 -0.2577219), wk = 0.0009103 k( 316) = ( 0.1538462 0.3556109 -0.1740286), wk = 0.0009103 k( 317) = ( 0.1538462 0.3556109 -0.0903353), wk = 0.0009103 k( 318) = ( 0.1538462 0.3556109 -0.0066421), wk = 0.0009103 k( 319) = ( 0.1538462 0.3556109 0.0770512), wk = 0.0009103 k( 320) = ( 0.1538462 0.4349004 0.1875352), wk = 0.0009103 k( 321) = ( 0.1538462 0.4349004 0.2712285), wk = 0.0009103 k( 322) = ( 0.1538462 0.4349004 0.3549217), wk = 0.0009103 k( 323) = ( 0.1538462 0.4349004 0.4386150), wk = 0.0009103 k( 324) = ( 0.1538462 0.4349004 0.5223083), wk = 0.0009103 k( 325) = ( 0.1538462 0.4349004 0.6060015), wk = 0.0009103 k( 326) = ( 0.1538462 0.4349004 0.6896948), wk = 0.0009103 k( 327) = ( 0.1538462 0.4349004 -0.3146244), wk = 0.0009103 k( 328) = ( 0.1538462 0.4349004 -0.2309311), wk = 0.0009103 k( 329) = ( 0.1538462 0.4349004 -0.1472379), wk = 0.0009103 k( 330) = ( 0.1538462 0.4349004 -0.0635446), wk = 0.0009103 k( 331) = ( 0.1538462 0.4349004 0.0201487), wk = 0.0009103 k( 332) = ( 0.1538462 0.4349004 0.1038419), wk = 0.0009103 k( 333) = ( 0.1538462 0.5141898 0.2143259), wk = 0.0009103 k( 334) = ( 0.1538462 0.5141898 0.2980192), wk = 0.0009103 k( 335) = ( 0.1538462 0.5141898 0.3817125), wk = 0.0009103 k( 336) = ( 0.1538462 0.5141898 0.4654057), wk = 0.0009103 k( 337) = ( 0.1538462 0.5141898 0.5490990), wk = 0.0009103 k( 338) = ( 0.1538462 0.5141898 0.6327923), wk = 0.0009103 k( 339) = ( 0.1538462 0.5141898 0.7164855), wk = 0.0009103 k( 340) = ( 0.1538462 0.5141898 -0.2878337), wk = 0.0009103 k( 341) = ( 0.1538462 0.5141898 -0.2041404), wk = 0.0009103 k( 342) = ( 0.1538462 0.5141898 -0.1204471), wk = 0.0009103 k( 343) = ( 0.1538462 0.5141898 -0.0367539), wk = 0.0009103 k( 344) = ( 0.1538462 0.5141898 0.0469394), wk = 0.0009103 k( 345) = ( 0.1538462 0.5141898 0.1306327), wk = 0.0009103 k( 346) = ( 0.1538462 -0.4372837 -0.1071630), wk = 0.0009103 k( 347) = ( 0.1538462 -0.4372837 -0.0234697), wk = 0.0009103 k( 348) = ( 0.1538462 -0.4372837 0.0602236), wk = 0.0009103 k( 349) = ( 0.1538462 -0.4372837 0.1439168), wk = 0.0009103 k( 350) = ( 0.1538462 -0.4372837 0.2276101), wk = 0.0009103 k( 351) = ( 0.1538462 -0.4372837 0.3113034), wk = 0.0009103 k( 352) = ( 0.1538462 -0.4372837 0.3949966), wk = 0.0009103 k( 353) = ( 0.1538462 -0.4372837 -0.6093226), wk = 0.0009103 k( 354) = ( 0.1538462 -0.4372837 -0.5256293), wk = 0.0009103 k( 355) = ( 0.1538462 -0.4372837 -0.4419360), wk = 0.0009103 k( 356) = ( 0.1538462 -0.4372837 -0.3582428), wk = 0.0009103 k( 357) = ( 0.1538462 -0.4372837 -0.2745495), wk = 0.0009103 k( 358) = ( 0.1538462 -0.4372837 -0.1908562), wk = 0.0009103 k( 359) = ( 0.1538462 -0.3579943 -0.0803722), wk = 0.0009103 k( 360) = ( 0.1538462 -0.3579943 0.0033210), wk = 0.0009103 k( 361) = ( 0.1538462 -0.3579943 0.0870143), wk = 0.0009103 k( 362) = ( 0.1538462 -0.3579943 0.1707076), wk = 0.0009103 k( 363) = ( 0.1538462 -0.3579943 0.2544008), wk = 0.0009103 k( 364) = ( 0.1538462 -0.3579943 0.3380941), wk = 0.0009103 k( 365) = ( 0.1538462 -0.3579943 0.4217874), wk = 0.0009103 k( 366) = ( 0.1538462 -0.3579943 -0.5825318), wk = 0.0009103 k( 367) = ( 0.1538462 -0.3579943 -0.4988386), wk = 0.0009103 k( 368) = ( 0.1538462 -0.3579943 -0.4151453), wk = 0.0009103 k( 369) = ( 0.1538462 -0.3579943 -0.3314520), wk = 0.0009103 k( 370) = ( 0.1538462 -0.3579943 -0.2477588), wk = 0.0009103 k( 371) = ( 0.1538462 -0.3579943 -0.1640655), wk = 0.0009103 k( 372) = ( 0.1538462 -0.2787048 -0.0535815), wk = 0.0009103 k( 373) = ( 0.1538462 -0.2787048 0.0301118), wk = 0.0009103 k( 374) = ( 0.1538462 -0.2787048 0.1138050), wk = 0.0009103 k( 375) = ( 0.1538462 -0.2787048 0.1974983), wk = 0.0009103 k( 376) = ( 0.1538462 -0.2787048 0.2811916), wk = 0.0009103 k( 377) = ( 0.1538462 -0.2787048 0.3648848), wk = 0.0009103 k( 378) = ( 0.1538462 -0.2787048 0.4485781), wk = 0.0009103 k( 379) = ( 0.1538462 -0.2787048 -0.5557411), wk = 0.0009103 k( 380) = ( 0.1538462 -0.2787048 -0.4720478), wk = 0.0009103 k( 381) = ( 0.1538462 -0.2787048 -0.3883545), wk = 0.0009103 k( 382) = ( 0.1538462 -0.2787048 -0.3046613), wk = 0.0009103 k( 383) = ( 0.1538462 -0.2787048 -0.2209680), wk = 0.0009103 k( 384) = ( 0.1538462 -0.2787048 -0.1372747), wk = 0.0009103 k( 385) = ( 0.1538462 -0.1994153 -0.0267907), wk = 0.0009103 k( 386) = ( 0.1538462 -0.1994153 0.0569025), wk = 0.0009103 k( 387) = ( 0.1538462 -0.1994153 0.1405958), wk = 0.0009103 k( 388) = ( 0.1538462 -0.1994153 0.2242891), wk = 0.0009103 k( 389) = ( 0.1538462 -0.1994153 0.3079823), wk = 0.0009103 k( 390) = ( 0.1538462 -0.1994153 0.3916756), wk = 0.0009103 k( 391) = ( 0.1538462 -0.1994153 0.4753689), wk = 0.0009103 k( 392) = ( 0.1538462 -0.1994153 -0.5289503), wk = 0.0009103 k( 393) = ( 0.1538462 -0.1994153 -0.4452571), wk = 0.0009103 k( 394) = ( 0.1538462 -0.1994153 -0.3615638), wk = 0.0009103 k( 395) = ( 0.1538462 -0.1994153 -0.2778705), wk = 0.0009103 k( 396) = ( 0.1538462 -0.1994153 -0.1941773), wk = 0.0009103 k( 397) = ( 0.1538462 -0.1994153 -0.1104840), wk = 0.0009103 k( 398) = ( 0.1538462 -0.1201259 -0.0000000), wk = 0.0009103 k( 399) = ( 0.1538462 -0.1201259 0.0836933), wk = 0.0009103 k( 400) = ( 0.1538462 -0.1201259 0.1673865), wk = 0.0009103 k( 401) = ( 0.1538462 -0.1201259 0.2510798), wk = 0.0009103 k( 402) = ( 0.1538462 -0.1201259 0.3347731), wk = 0.0009103 k( 403) = ( 0.1538462 -0.1201259 0.4184663), wk = 0.0009103 k( 404) = ( 0.1538462 -0.1201259 0.5021596), wk = 0.0009103 k( 405) = ( 0.1538462 -0.1201259 -0.5021596), wk = 0.0009103 k( 406) = ( 0.1538462 -0.1201259 -0.4184663), wk = 0.0009103 k( 407) = ( 0.1538462 -0.1201259 -0.3347731), wk = 0.0009103 k( 408) = ( 0.1538462 -0.1201259 -0.2510798), wk = 0.0009103 k( 409) = ( 0.1538462 -0.1201259 -0.1673865), wk = 0.0009103 k( 410) = ( 0.1538462 -0.1201259 -0.0836933), wk = 0.0009103 k( 411) = ( 0.1538462 -0.0408364 0.0267907), wk = 0.0009103 k( 412) = ( 0.1538462 -0.0408364 0.1104840), wk = 0.0009103 k( 413) = ( 0.1538462 -0.0408364 0.1941773), wk = 0.0009103 k( 414) = ( 0.1538462 -0.0408364 0.2778705), wk = 0.0009103 k( 415) = ( 0.1538462 -0.0408364 0.3615638), wk = 0.0009103 k( 416) = ( 0.1538462 -0.0408364 0.4452571), wk = 0.0009103 k( 417) = ( 0.1538462 -0.0408364 0.5289503), wk = 0.0009103 k( 418) = ( 0.1538462 -0.0408364 -0.4753689), wk = 0.0009103 k( 419) = ( 0.1538462 -0.0408364 -0.3916756), wk = 0.0009103 k( 420) = ( 0.1538462 -0.0408364 -0.3079823), wk = 0.0009103 k( 421) = ( 0.1538462 -0.0408364 -0.2242891), wk = 0.0009103 k( 422) = ( 0.1538462 -0.0408364 -0.1405958), wk = 0.0009103 k( 423) = ( 0.1538462 -0.0408364 -0.0569025), wk = 0.0009103 k( 424) = ( 0.2307692 0.0576796 0.0803722), wk = 0.0009103 k( 425) = ( 0.2307692 0.0576796 0.1640655), wk = 0.0009103 k( 426) = ( 0.2307692 0.0576796 0.2477588), wk = 0.0009103 k( 427) = ( 0.2307692 0.0576796 0.3314520), wk = 0.0009103 k( 428) = ( 0.2307692 0.0576796 0.4151453), wk = 0.0009103 k( 429) = ( 0.2307692 0.0576796 0.4988386), wk = 0.0009103 k( 430) = ( 0.2307692 0.0576796 0.5825318), wk = 0.0009103 k( 431) = ( 0.2307692 0.0576796 -0.4217874), wk = 0.0009103 k( 432) = ( 0.2307692 0.0576796 -0.3380941), wk = 0.0009103 k( 433) = ( 0.2307692 0.0576796 -0.2544008), wk = 0.0009103 k( 434) = ( 0.2307692 0.0576796 -0.1707076), wk = 0.0009103 k( 435) = ( 0.2307692 0.0576796 -0.0870143), wk = 0.0009103 k( 436) = ( 0.2307692 0.0576796 -0.0033210), wk = 0.0009103 k( 437) = ( 0.2307692 0.1369690 0.1071630), wk = 0.0009103 k( 438) = ( 0.2307692 0.1369690 0.1908562), wk = 0.0009103 k( 439) = ( 0.2307692 0.1369690 0.2745495), wk = 0.0009103 k( 440) = ( 0.2307692 0.1369690 0.3582428), wk = 0.0009103 k( 441) = ( 0.2307692 0.1369690 0.4419360), wk = 0.0009103 k( 442) = ( 0.2307692 0.1369690 0.5256293), wk = 0.0009103 k( 443) = ( 0.2307692 0.1369690 0.6093226), wk = 0.0009103 k( 444) = ( 0.2307692 0.1369690 -0.3949966), wk = 0.0009103 k( 445) = ( 0.2307692 0.1369690 -0.3113034), wk = 0.0009103 k( 446) = ( 0.2307692 0.1369690 -0.2276101), wk = 0.0009103 k( 447) = ( 0.2307692 0.1369690 -0.1439168), wk = 0.0009103 k( 448) = ( 0.2307692 0.1369690 -0.0602236), wk = 0.0009103 k( 449) = ( 0.2307692 0.1369690 0.0234697), wk = 0.0009103 k( 450) = ( 0.2307692 0.2162585 0.1339537), wk = 0.0009103 k( 451) = ( 0.2307692 0.2162585 0.2176470), wk = 0.0009103 k( 452) = ( 0.2307692 0.2162585 0.3013402), wk = 0.0009103 k( 453) = ( 0.2307692 0.2162585 0.3850335), wk = 0.0009103 k( 454) = ( 0.2307692 0.2162585 0.4687268), wk = 0.0009103 k( 455) = ( 0.2307692 0.2162585 0.5524200), wk = 0.0009103 k( 456) = ( 0.2307692 0.2162585 0.6361133), wk = 0.0009103 k( 457) = ( 0.2307692 0.2162585 -0.3682059), wk = 0.0009103 k( 458) = ( 0.2307692 0.2162585 -0.2845126), wk = 0.0009103 k( 459) = ( 0.2307692 0.2162585 -0.2008194), wk = 0.0009103 k( 460) = ( 0.2307692 0.2162585 -0.1171261), wk = 0.0009103 k( 461) = ( 0.2307692 0.2162585 -0.0334328), wk = 0.0009103 k( 462) = ( 0.2307692 0.2162585 0.0502604), wk = 0.0009103 k( 463) = ( 0.2307692 0.2955480 0.1607444), wk = 0.0009103 k( 464) = ( 0.2307692 0.2955480 0.2444377), wk = 0.0009103 k( 465) = ( 0.2307692 0.2955480 0.3281310), wk = 0.0009103 k( 466) = ( 0.2307692 0.2955480 0.4118242), wk = 0.0009103 k( 467) = ( 0.2307692 0.2955480 0.4955175), wk = 0.0009103 k( 468) = ( 0.2307692 0.2955480 0.5792108), wk = 0.0009103 k( 469) = ( 0.2307692 0.2955480 0.6629040), wk = 0.0009103 k( 470) = ( 0.2307692 0.2955480 -0.3414151), wk = 0.0009103 k( 471) = ( 0.2307692 0.2955480 -0.2577219), wk = 0.0009103 k( 472) = ( 0.2307692 0.2955480 -0.1740286), wk = 0.0009103 k( 473) = ( 0.2307692 0.2955480 -0.0903353), wk = 0.0009103 k( 474) = ( 0.2307692 0.2955480 -0.0066421), wk = 0.0009103 k( 475) = ( 0.2307692 0.2955480 0.0770512), wk = 0.0009103 k( 476) = ( 0.2307692 0.3748374 0.1875352), wk = 0.0009103 k( 477) = ( 0.2307692 0.3748374 0.2712285), wk = 0.0009103 k( 478) = ( 0.2307692 0.3748374 0.3549217), wk = 0.0009103 k( 479) = ( 0.2307692 0.3748374 0.4386150), wk = 0.0009103 k( 480) = ( 0.2307692 0.3748374 0.5223083), wk = 0.0009103 k( 481) = ( 0.2307692 0.3748374 0.6060015), wk = 0.0009103 k( 482) = ( 0.2307692 0.3748374 0.6896948), wk = 0.0009103 k( 483) = ( 0.2307692 0.3748374 -0.3146244), wk = 0.0009103 k( 484) = ( 0.2307692 0.3748374 -0.2309311), wk = 0.0009103 k( 485) = ( 0.2307692 0.3748374 -0.1472379), wk = 0.0009103 k( 486) = ( 0.2307692 0.3748374 -0.0635446), wk = 0.0009103 k( 487) = ( 0.2307692 0.3748374 0.0201487), wk = 0.0009103 k( 488) = ( 0.2307692 0.3748374 0.1038419), wk = 0.0009103 k( 489) = ( 0.2307692 0.4541269 0.2143259), wk = 0.0009103 k( 490) = ( 0.2307692 0.4541269 0.2980192), wk = 0.0009103 k( 491) = ( 0.2307692 0.4541269 0.3817125), wk = 0.0009103 k( 492) = ( 0.2307692 0.4541269 0.4654057), wk = 0.0009103 k( 493) = ( 0.2307692 0.4541269 0.5490990), wk = 0.0009103 k( 494) = ( 0.2307692 0.4541269 0.6327923), wk = 0.0009103 k( 495) = ( 0.2307692 0.4541269 0.7164855), wk = 0.0009103 k( 496) = ( 0.2307692 0.4541269 -0.2878337), wk = 0.0009103 k( 497) = ( 0.2307692 0.4541269 -0.2041404), wk = 0.0009103 k( 498) = ( 0.2307692 0.4541269 -0.1204471), wk = 0.0009103 k( 499) = ( 0.2307692 0.4541269 -0.0367539), wk = 0.0009103 k( 500) = ( 0.2307692 0.4541269 0.0469394), wk = 0.0009103 k( 501) = ( 0.2307692 0.4541269 0.1306327), wk = 0.0009103 k( 502) = ( 0.2307692 0.5334164 0.2411167), wk = 0.0009103 k( 503) = ( 0.2307692 0.5334164 0.3248099), wk = 0.0009103 k( 504) = ( 0.2307692 0.5334164 0.4085032), wk = 0.0009103 k( 505) = ( 0.2307692 0.5334164 0.4921965), wk = 0.0009103 k( 506) = ( 0.2307692 0.5334164 0.5758897), wk = 0.0009103 k( 507) = ( 0.2307692 0.5334164 0.6595830), wk = 0.0009103 k( 508) = ( 0.2307692 0.5334164 0.7432763), wk = 0.0009103 k( 509) = ( 0.2307692 0.5334164 -0.2610429), wk = 0.0009103 k( 510) = ( 0.2307692 0.5334164 -0.1773497), wk = 0.0009103 k( 511) = ( 0.2307692 0.5334164 -0.0936564), wk = 0.0009103 k( 512) = ( 0.2307692 0.5334164 -0.0099631), wk = 0.0009103 k( 513) = ( 0.2307692 0.5334164 0.0737301), wk = 0.0009103 k( 514) = ( 0.2307692 0.5334164 0.1574234), wk = 0.0009103 k( 515) = ( 0.2307692 -0.4180572 -0.0803722), wk = 0.0009103 k( 516) = ( 0.2307692 -0.4180572 0.0033210), wk = 0.0009103 k( 517) = ( 0.2307692 -0.4180572 0.0870143), wk = 0.0009103 k( 518) = ( 0.2307692 -0.4180572 0.1707076), wk = 0.0009103 k( 519) = ( 0.2307692 -0.4180572 0.2544008), wk = 0.0009103 k( 520) = ( 0.2307692 -0.4180572 0.3380941), wk = 0.0009103 k( 521) = ( 0.2307692 -0.4180572 0.4217874), wk = 0.0009103 k( 522) = ( 0.2307692 -0.4180572 -0.5825318), wk = 0.0009103 k( 523) = ( 0.2307692 -0.4180572 -0.4988386), wk = 0.0009103 k( 524) = ( 0.2307692 -0.4180572 -0.4151453), wk = 0.0009103 k( 525) = ( 0.2307692 -0.4180572 -0.3314520), wk = 0.0009103 k( 526) = ( 0.2307692 -0.4180572 -0.2477588), wk = 0.0009103 k( 527) = ( 0.2307692 -0.4180572 -0.1640655), wk = 0.0009103 k( 528) = ( 0.2307692 -0.3387677 -0.0535815), wk = 0.0009103 k( 529) = ( 0.2307692 -0.3387677 0.0301118), wk = 0.0009103 k( 530) = ( 0.2307692 -0.3387677 0.1138050), wk = 0.0009103 k( 531) = ( 0.2307692 -0.3387677 0.1974983), wk = 0.0009103 k( 532) = ( 0.2307692 -0.3387677 0.2811916), wk = 0.0009103 k( 533) = ( 0.2307692 -0.3387677 0.3648848), wk = 0.0009103 k( 534) = ( 0.2307692 -0.3387677 0.4485781), wk = 0.0009103 k( 535) = ( 0.2307692 -0.3387677 -0.5557411), wk = 0.0009103 k( 536) = ( 0.2307692 -0.3387677 -0.4720478), wk = 0.0009103 k( 537) = ( 0.2307692 -0.3387677 -0.3883545), wk = 0.0009103 k( 538) = ( 0.2307692 -0.3387677 -0.3046613), wk = 0.0009103 k( 539) = ( 0.2307692 -0.3387677 -0.2209680), wk = 0.0009103 k( 540) = ( 0.2307692 -0.3387677 -0.1372747), wk = 0.0009103 k( 541) = ( 0.2307692 -0.2594783 -0.0267907), wk = 0.0009103 k( 542) = ( 0.2307692 -0.2594783 0.0569025), wk = 0.0009103 k( 543) = ( 0.2307692 -0.2594783 0.1405958), wk = 0.0009103 k( 544) = ( 0.2307692 -0.2594783 0.2242891), wk = 0.0009103 k( 545) = ( 0.2307692 -0.2594783 0.3079823), wk = 0.0009103 k( 546) = ( 0.2307692 -0.2594783 0.3916756), wk = 0.0009103 k( 547) = ( 0.2307692 -0.2594783 0.4753689), wk = 0.0009103 k( 548) = ( 0.2307692 -0.2594783 -0.5289503), wk = 0.0009103 k( 549) = ( 0.2307692 -0.2594783 -0.4452571), wk = 0.0009103 k( 550) = ( 0.2307692 -0.2594783 -0.3615638), wk = 0.0009103 k( 551) = ( 0.2307692 -0.2594783 -0.2778705), wk = 0.0009103 k( 552) = ( 0.2307692 -0.2594783 -0.1941773), wk = 0.0009103 k( 553) = ( 0.2307692 -0.2594783 -0.1104840), wk = 0.0009103 k( 554) = ( 0.2307692 -0.1801888 0.0000000), wk = 0.0009103 k( 555) = ( 0.2307692 -0.1801888 0.0836933), wk = 0.0009103 k( 556) = ( 0.2307692 -0.1801888 0.1673865), wk = 0.0009103 k( 557) = ( 0.2307692 -0.1801888 0.2510798), wk = 0.0009103 k( 558) = ( 0.2307692 -0.1801888 0.3347731), wk = 0.0009103 k( 559) = ( 0.2307692 -0.1801888 0.4184663), wk = 0.0009103 k( 560) = ( 0.2307692 -0.1801888 0.5021596), wk = 0.0009103 k( 561) = ( 0.2307692 -0.1801888 -0.5021596), wk = 0.0009103 k( 562) = ( 0.2307692 -0.1801888 -0.4184663), wk = 0.0009103 k( 563) = ( 0.2307692 -0.1801888 -0.3347731), wk = 0.0009103 k( 564) = ( 0.2307692 -0.1801888 -0.2510798), wk = 0.0009103 k( 565) = ( 0.2307692 -0.1801888 -0.1673865), wk = 0.0009103 k( 566) = ( 0.2307692 -0.1801888 -0.0836933), wk = 0.0009103 k( 567) = ( 0.2307692 -0.1008994 0.0267907), wk = 0.0009103 k( 568) = ( 0.2307692 -0.1008994 0.1104840), wk = 0.0009103 k( 569) = ( 0.2307692 -0.1008994 0.1941773), wk = 0.0009103 k( 570) = ( 0.2307692 -0.1008994 0.2778705), wk = 0.0009103 k( 571) = ( 0.2307692 -0.1008994 0.3615638), wk = 0.0009103 k( 572) = ( 0.2307692 -0.1008994 0.4452571), wk = 0.0009103 k( 573) = ( 0.2307692 -0.1008994 0.5289503), wk = 0.0009103 k( 574) = ( 0.2307692 -0.1008994 -0.4753689), wk = 0.0009103 k( 575) = ( 0.2307692 -0.1008994 -0.3916756), wk = 0.0009103 k( 576) = ( 0.2307692 -0.1008994 -0.3079823), wk = 0.0009103 k( 577) = ( 0.2307692 -0.1008994 -0.2242891), wk = 0.0009103 k( 578) = ( 0.2307692 -0.1008994 -0.1405958), wk = 0.0009103 k( 579) = ( 0.2307692 -0.1008994 -0.0569025), wk = 0.0009103 k( 580) = ( 0.2307692 -0.0216099 0.0535815), wk = 0.0009103 k( 581) = ( 0.2307692 -0.0216099 0.1372747), wk = 0.0009103 k( 582) = ( 0.2307692 -0.0216099 0.2209680), wk = 0.0009103 k( 583) = ( 0.2307692 -0.0216099 0.3046613), wk = 0.0009103 k( 584) = ( 0.2307692 -0.0216099 0.3883545), wk = 0.0009103 k( 585) = ( 0.2307692 -0.0216099 0.4720478), wk = 0.0009103 k( 586) = ( 0.2307692 -0.0216099 0.5557411), wk = 0.0009103 k( 587) = ( 0.2307692 -0.0216099 -0.4485781), wk = 0.0009103 k( 588) = ( 0.2307692 -0.0216099 -0.3648848), wk = 0.0009103 k( 589) = ( 0.2307692 -0.0216099 -0.2811916), wk = 0.0009103 k( 590) = ( 0.2307692 -0.0216099 -0.1974983), wk = 0.0009103 k( 591) = ( 0.2307692 -0.0216099 -0.1138050), wk = 0.0009103 k( 592) = ( 0.2307692 -0.0216099 -0.0301118), wk = 0.0009103 k( 593) = ( 0.3076923 0.0769061 0.1071630), wk = 0.0009103 k( 594) = ( 0.3076923 0.0769061 0.1908562), wk = 0.0009103 k( 595) = ( 0.3076923 0.0769061 0.2745495), wk = 0.0009103 k( 596) = ( 0.3076923 0.0769061 0.3582428), wk = 0.0009103 k( 597) = ( 0.3076923 0.0769061 0.4419360), wk = 0.0009103 k( 598) = ( 0.3076923 0.0769061 0.5256293), wk = 0.0009103 k( 599) = ( 0.3076923 0.0769061 0.6093226), wk = 0.0009103 k( 600) = ( 0.3076923 0.0769061 -0.3949966), wk = 0.0009103 k( 601) = ( 0.3076923 0.0769061 -0.3113034), wk = 0.0009103 k( 602) = ( 0.3076923 0.0769061 -0.2276101), wk = 0.0009103 k( 603) = ( 0.3076923 0.0769061 -0.1439168), wk = 0.0009103 k( 604) = ( 0.3076923 0.0769061 -0.0602236), wk = 0.0009103 k( 605) = ( 0.3076923 0.0769061 0.0234697), wk = 0.0009103 k( 606) = ( 0.3076923 0.1561956 0.1339537), wk = 0.0009103 k( 607) = ( 0.3076923 0.1561956 0.2176470), wk = 0.0009103 k( 608) = ( 0.3076923 0.1561956 0.3013402), wk = 0.0009103 k( 609) = ( 0.3076923 0.1561956 0.3850335), wk = 0.0009103 k( 610) = ( 0.3076923 0.1561956 0.4687268), wk = 0.0009103 k( 611) = ( 0.3076923 0.1561956 0.5524200), wk = 0.0009103 k( 612) = ( 0.3076923 0.1561956 0.6361133), wk = 0.0009103 k( 613) = ( 0.3076923 0.1561956 -0.3682059), wk = 0.0009103 k( 614) = ( 0.3076923 0.1561956 -0.2845126), wk = 0.0009103 k( 615) = ( 0.3076923 0.1561956 -0.2008194), wk = 0.0009103 k( 616) = ( 0.3076923 0.1561956 -0.1171261), wk = 0.0009103 k( 617) = ( 0.3076923 0.1561956 -0.0334328), wk = 0.0009103 k( 618) = ( 0.3076923 0.1561956 0.0502604), wk = 0.0009103 k( 619) = ( 0.3076923 0.2354850 0.1607444), wk = 0.0009103 k( 620) = ( 0.3076923 0.2354850 0.2444377), wk = 0.0009103 k( 621) = ( 0.3076923 0.2354850 0.3281310), wk = 0.0009103 k( 622) = ( 0.3076923 0.2354850 0.4118242), wk = 0.0009103 k( 623) = ( 0.3076923 0.2354850 0.4955175), wk = 0.0009103 k( 624) = ( 0.3076923 0.2354850 0.5792108), wk = 0.0009103 k( 625) = ( 0.3076923 0.2354850 0.6629040), wk = 0.0009103 k( 626) = ( 0.3076923 0.2354850 -0.3414151), wk = 0.0009103 k( 627) = ( 0.3076923 0.2354850 -0.2577219), wk = 0.0009103 k( 628) = ( 0.3076923 0.2354850 -0.1740286), wk = 0.0009103 k( 629) = ( 0.3076923 0.2354850 -0.0903353), wk = 0.0009103 k( 630) = ( 0.3076923 0.2354850 -0.0066421), wk = 0.0009103 k( 631) = ( 0.3076923 0.2354850 0.0770512), wk = 0.0009103 k( 632) = ( 0.3076923 0.3147745 0.1875352), wk = 0.0009103 k( 633) = ( 0.3076923 0.3147745 0.2712285), wk = 0.0009103 k( 634) = ( 0.3076923 0.3147745 0.3549217), wk = 0.0009103 k( 635) = ( 0.3076923 0.3147745 0.4386150), wk = 0.0009103 k( 636) = ( 0.3076923 0.3147745 0.5223083), wk = 0.0009103 k( 637) = ( 0.3076923 0.3147745 0.6060015), wk = 0.0009103 k( 638) = ( 0.3076923 0.3147745 0.6896948), wk = 0.0009103 k( 639) = ( 0.3076923 0.3147745 -0.3146244), wk = 0.0009103 k( 640) = ( 0.3076923 0.3147745 -0.2309311), wk = 0.0009103 k( 641) = ( 0.3076923 0.3147745 -0.1472379), wk = 0.0009103 k( 642) = ( 0.3076923 0.3147745 -0.0635446), wk = 0.0009103 k( 643) = ( 0.3076923 0.3147745 0.0201487), wk = 0.0009103 k( 644) = ( 0.3076923 0.3147745 0.1038419), wk = 0.0009103 k( 645) = ( 0.3076923 0.3940640 0.2143259), wk = 0.0009103 k( 646) = ( 0.3076923 0.3940640 0.2980192), wk = 0.0009103 k( 647) = ( 0.3076923 0.3940640 0.3817125), wk = 0.0009103 k( 648) = ( 0.3076923 0.3940640 0.4654057), wk = 0.0009103 k( 649) = ( 0.3076923 0.3940640 0.5490990), wk = 0.0009103 k( 650) = ( 0.3076923 0.3940640 0.6327923), wk = 0.0009103 k( 651) = ( 0.3076923 0.3940640 0.7164855), wk = 0.0009103 k( 652) = ( 0.3076923 0.3940640 -0.2878337), wk = 0.0009103 k( 653) = ( 0.3076923 0.3940640 -0.2041404), wk = 0.0009103 k( 654) = ( 0.3076923 0.3940640 -0.1204471), wk = 0.0009103 k( 655) = ( 0.3076923 0.3940640 -0.0367539), wk = 0.0009103 k( 656) = ( 0.3076923 0.3940640 0.0469394), wk = 0.0009103 k( 657) = ( 0.3076923 0.3940640 0.1306327), wk = 0.0009103 k( 658) = ( 0.3076923 0.4733534 0.2411167), wk = 0.0009103 k( 659) = ( 0.3076923 0.4733534 0.3248099), wk = 0.0009103 k( 660) = ( 0.3076923 0.4733534 0.4085032), wk = 0.0009103 k( 661) = ( 0.3076923 0.4733534 0.4921965), wk = 0.0009103 k( 662) = ( 0.3076923 0.4733534 0.5758897), wk = 0.0009103 k( 663) = ( 0.3076923 0.4733534 0.6595830), wk = 0.0009103 k( 664) = ( 0.3076923 0.4733534 0.7432763), wk = 0.0009103 k( 665) = ( 0.3076923 0.4733534 -0.2610429), wk = 0.0009103 k( 666) = ( 0.3076923 0.4733534 -0.1773497), wk = 0.0009103 k( 667) = ( 0.3076923 0.4733534 -0.0936564), wk = 0.0009103 k( 668) = ( 0.3076923 0.4733534 -0.0099631), wk = 0.0009103 k( 669) = ( 0.3076923 0.4733534 0.0737301), wk = 0.0009103 k( 670) = ( 0.3076923 0.4733534 0.1574234), wk = 0.0009103 k( 671) = ( 0.3076923 0.5526429 0.2679074), wk = 0.0009103 k( 672) = ( 0.3076923 0.5526429 0.3516007), wk = 0.0009103 k( 673) = ( 0.3076923 0.5526429 0.4352939), wk = 0.0009103 k( 674) = ( 0.3076923 0.5526429 0.5189872), wk = 0.0009103 k( 675) = ( 0.3076923 0.5526429 0.6026805), wk = 0.0009103 k( 676) = ( 0.3076923 0.5526429 0.6863737), wk = 0.0009103 k( 677) = ( 0.3076923 0.5526429 0.7700670), wk = 0.0009103 k( 678) = ( 0.3076923 0.5526429 -0.2342522), wk = 0.0009103 k( 679) = ( 0.3076923 0.5526429 -0.1505589), wk = 0.0009103 k( 680) = ( 0.3076923 0.5526429 -0.0668656), wk = 0.0009103 k( 681) = ( 0.3076923 0.5526429 0.0168276), wk = 0.0009103 k( 682) = ( 0.3076923 0.5526429 0.1005209), wk = 0.0009103 k( 683) = ( 0.3076923 0.5526429 0.1842141), wk = 0.0009103 k( 684) = ( 0.3076923 -0.3988307 -0.0535815), wk = 0.0009103 k( 685) = ( 0.3076923 -0.3988307 0.0301118), wk = 0.0009103 k( 686) = ( 0.3076923 -0.3988307 0.1138050), wk = 0.0009103 k( 687) = ( 0.3076923 -0.3988307 0.1974983), wk = 0.0009103 k( 688) = ( 0.3076923 -0.3988307 0.2811916), wk = 0.0009103 k( 689) = ( 0.3076923 -0.3988307 0.3648848), wk = 0.0009103 k( 690) = ( 0.3076923 -0.3988307 0.4485781), wk = 0.0009103 k( 691) = ( 0.3076923 -0.3988307 -0.5557411), wk = 0.0009103 k( 692) = ( 0.3076923 -0.3988307 -0.4720478), wk = 0.0009103 k( 693) = ( 0.3076923 -0.3988307 -0.3883545), wk = 0.0009103 k( 694) = ( 0.3076923 -0.3988307 -0.3046613), wk = 0.0009103 k( 695) = ( 0.3076923 -0.3988307 -0.2209680), wk = 0.0009103 k( 696) = ( 0.3076923 -0.3988307 -0.1372747), wk = 0.0009103 k( 697) = ( 0.3076923 -0.3195412 -0.0267907), wk = 0.0009103 k( 698) = ( 0.3076923 -0.3195412 0.0569025), wk = 0.0009103 k( 699) = ( 0.3076923 -0.3195412 0.1405958), wk = 0.0009103 k( 700) = ( 0.3076923 -0.3195412 0.2242891), wk = 0.0009103 k( 701) = ( 0.3076923 -0.3195412 0.3079823), wk = 0.0009103 k( 702) = ( 0.3076923 -0.3195412 0.3916756), wk = 0.0009103 k( 703) = ( 0.3076923 -0.3195412 0.4753689), wk = 0.0009103 k( 704) = ( 0.3076923 -0.3195412 -0.5289503), wk = 0.0009103 k( 705) = ( 0.3076923 -0.3195412 -0.4452571), wk = 0.0009103 k( 706) = ( 0.3076923 -0.3195412 -0.3615638), wk = 0.0009103 k( 707) = ( 0.3076923 -0.3195412 -0.2778705), wk = 0.0009103 k( 708) = ( 0.3076923 -0.3195412 -0.1941773), wk = 0.0009103 k( 709) = ( 0.3076923 -0.3195412 -0.1104840), wk = 0.0009103 k( 710) = ( 0.3076923 -0.2402518 -0.0000000), wk = 0.0009103 k( 711) = ( 0.3076923 -0.2402518 0.0836933), wk = 0.0009103 k( 712) = ( 0.3076923 -0.2402518 0.1673865), wk = 0.0009103 k( 713) = ( 0.3076923 -0.2402518 0.2510798), wk = 0.0009103 k( 714) = ( 0.3076923 -0.2402518 0.3347731), wk = 0.0009103 k( 715) = ( 0.3076923 -0.2402518 0.4184663), wk = 0.0009103 k( 716) = ( 0.3076923 -0.2402518 0.5021596), wk = 0.0009103 k( 717) = ( 0.3076923 -0.2402518 -0.5021596), wk = 0.0009103 k( 718) = ( 0.3076923 -0.2402518 -0.4184663), wk = 0.0009103 k( 719) = ( 0.3076923 -0.2402518 -0.3347731), wk = 0.0009103 k( 720) = ( 0.3076923 -0.2402518 -0.2510798), wk = 0.0009103 k( 721) = ( 0.3076923 -0.2402518 -0.1673865), wk = 0.0009103 k( 722) = ( 0.3076923 -0.2402518 -0.0836933), wk = 0.0009103 k( 723) = ( 0.3076923 -0.1609623 0.0267907), wk = 0.0009103 k( 724) = ( 0.3076923 -0.1609623 0.1104840), wk = 0.0009103 k( 725) = ( 0.3076923 -0.1609623 0.1941773), wk = 0.0009103 k( 726) = ( 0.3076923 -0.1609623 0.2778705), wk = 0.0009103 k( 727) = ( 0.3076923 -0.1609623 0.3615638), wk = 0.0009103 k( 728) = ( 0.3076923 -0.1609623 0.4452571), wk = 0.0009103 k( 729) = ( 0.3076923 -0.1609623 0.5289503), wk = 0.0009103 k( 730) = ( 0.3076923 -0.1609623 -0.4753689), wk = 0.0009103 k( 731) = ( 0.3076923 -0.1609623 -0.3916756), wk = 0.0009103 k( 732) = ( 0.3076923 -0.1609623 -0.3079823), wk = 0.0009103 k( 733) = ( 0.3076923 -0.1609623 -0.2242891), wk = 0.0009103 k( 734) = ( 0.3076923 -0.1609623 -0.1405958), wk = 0.0009103 k( 735) = ( 0.3076923 -0.1609623 -0.0569025), wk = 0.0009103 k( 736) = ( 0.3076923 -0.0816728 0.0535815), wk = 0.0009103 k( 737) = ( 0.3076923 -0.0816728 0.1372747), wk = 0.0009103 k( 738) = ( 0.3076923 -0.0816728 0.2209680), wk = 0.0009103 k( 739) = ( 0.3076923 -0.0816728 0.3046613), wk = 0.0009103 k( 740) = ( 0.3076923 -0.0816728 0.3883545), wk = 0.0009103 k( 741) = ( 0.3076923 -0.0816728 0.4720478), wk = 0.0009103 k( 742) = ( 0.3076923 -0.0816728 0.5557411), wk = 0.0009103 k( 743) = ( 0.3076923 -0.0816728 -0.4485781), wk = 0.0009103 k( 744) = ( 0.3076923 -0.0816728 -0.3648848), wk = 0.0009103 k( 745) = ( 0.3076923 -0.0816728 -0.2811916), wk = 0.0009103 k( 746) = ( 0.3076923 -0.0816728 -0.1974983), wk = 0.0009103 k( 747) = ( 0.3076923 -0.0816728 -0.1138050), wk = 0.0009103 k( 748) = ( 0.3076923 -0.0816728 -0.0301118), wk = 0.0009103 k( 749) = ( 0.3076923 -0.0023834 0.0803722), wk = 0.0009103 k( 750) = ( 0.3076923 -0.0023834 0.1640655), wk = 0.0009103 k( 751) = ( 0.3076923 -0.0023834 0.2477588), wk = 0.0009103 k( 752) = ( 0.3076923 -0.0023834 0.3314520), wk = 0.0009103 k( 753) = ( 0.3076923 -0.0023834 0.4151453), wk = 0.0009103 k( 754) = ( 0.3076923 -0.0023834 0.4988386), wk = 0.0009103 k( 755) = ( 0.3076923 -0.0023834 0.5825318), wk = 0.0009103 k( 756) = ( 0.3076923 -0.0023834 -0.4217874), wk = 0.0009103 k( 757) = ( 0.3076923 -0.0023834 -0.3380941), wk = 0.0009103 k( 758) = ( 0.3076923 -0.0023834 -0.2544008), wk = 0.0009103 k( 759) = ( 0.3076923 -0.0023834 -0.1707076), wk = 0.0009103 k( 760) = ( 0.3076923 -0.0023834 -0.0870143), wk = 0.0009103 k( 761) = ( 0.3076923 -0.0023834 -0.0033210), wk = 0.0009103 k( 762) = ( 0.3846154 0.0961326 0.1339537), wk = 0.0009103 k( 763) = ( 0.3846154 0.0961326 0.2176470), wk = 0.0009103 k( 764) = ( 0.3846154 0.0961326 0.3013402), wk = 0.0009103 k( 765) = ( 0.3846154 0.0961326 0.3850335), wk = 0.0009103 k( 766) = ( 0.3846154 0.0961326 0.4687268), wk = 0.0009103 k( 767) = ( 0.3846154 0.0961326 0.5524200), wk = 0.0009103 k( 768) = ( 0.3846154 0.0961326 0.6361133), wk = 0.0009103 k( 769) = ( 0.3846154 0.0961326 -0.3682059), wk = 0.0009103 k( 770) = ( 0.3846154 0.0961326 -0.2845126), wk = 0.0009103 k( 771) = ( 0.3846154 0.0961326 -0.2008194), wk = 0.0009103 k( 772) = ( 0.3846154 0.0961326 -0.1171261), wk = 0.0009103 k( 773) = ( 0.3846154 0.0961326 -0.0334328), wk = 0.0009103 k( 774) = ( 0.3846154 0.0961326 0.0502604), wk = 0.0009103 k( 775) = ( 0.3846154 0.1754221 0.1607444), wk = 0.0009103 k( 776) = ( 0.3846154 0.1754221 0.2444377), wk = 0.0009103 k( 777) = ( 0.3846154 0.1754221 0.3281310), wk = 0.0009103 k( 778) = ( 0.3846154 0.1754221 0.4118242), wk = 0.0009103 k( 779) = ( 0.3846154 0.1754221 0.4955175), wk = 0.0009103 k( 780) = ( 0.3846154 0.1754221 0.5792108), wk = 0.0009103 k( 781) = ( 0.3846154 0.1754221 0.6629040), wk = 0.0009103 k( 782) = ( 0.3846154 0.1754221 -0.3414151), wk = 0.0009103 k( 783) = ( 0.3846154 0.1754221 -0.2577219), wk = 0.0009103 k( 784) = ( 0.3846154 0.1754221 -0.1740286), wk = 0.0009103 k( 785) = ( 0.3846154 0.1754221 -0.0903353), wk = 0.0009103 k( 786) = ( 0.3846154 0.1754221 -0.0066421), wk = 0.0009103 k( 787) = ( 0.3846154 0.1754221 0.0770512), wk = 0.0009103 k( 788) = ( 0.3846154 0.2547116 0.1875352), wk = 0.0009103 k( 789) = ( 0.3846154 0.2547116 0.2712285), wk = 0.0009103 k( 790) = ( 0.3846154 0.2547116 0.3549217), wk = 0.0009103 k( 791) = ( 0.3846154 0.2547116 0.4386150), wk = 0.0009103 k( 792) = ( 0.3846154 0.2547116 0.5223083), wk = 0.0009103 k( 793) = ( 0.3846154 0.2547116 0.6060015), wk = 0.0009103 k( 794) = ( 0.3846154 0.2547116 0.6896948), wk = 0.0009103 k( 795) = ( 0.3846154 0.2547116 -0.3146244), wk = 0.0009103 k( 796) = ( 0.3846154 0.2547116 -0.2309311), wk = 0.0009103 k( 797) = ( 0.3846154 0.2547116 -0.1472379), wk = 0.0009103 k( 798) = ( 0.3846154 0.2547116 -0.0635446), wk = 0.0009103 k( 799) = ( 0.3846154 0.2547116 0.0201487), wk = 0.0009103 k( 800) = ( 0.3846154 0.2547116 0.1038419), wk = 0.0009103 k( 801) = ( 0.3846154 0.3340010 0.2143259), wk = 0.0009103 k( 802) = ( 0.3846154 0.3340010 0.2980192), wk = 0.0009103 k( 803) = ( 0.3846154 0.3340010 0.3817125), wk = 0.0009103 k( 804) = ( 0.3846154 0.3340010 0.4654057), wk = 0.0009103 k( 805) = ( 0.3846154 0.3340010 0.5490990), wk = 0.0009103 k( 806) = ( 0.3846154 0.3340010 0.6327923), wk = 0.0009103 k( 807) = ( 0.3846154 0.3340010 0.7164855), wk = 0.0009103 k( 808) = ( 0.3846154 0.3340010 -0.2878337), wk = 0.0009103 k( 809) = ( 0.3846154 0.3340010 -0.2041404), wk = 0.0009103 k( 810) = ( 0.3846154 0.3340010 -0.1204471), wk = 0.0009103 k( 811) = ( 0.3846154 0.3340010 -0.0367539), wk = 0.0009103 k( 812) = ( 0.3846154 0.3340010 0.0469394), wk = 0.0009103 k( 813) = ( 0.3846154 0.3340010 0.1306327), wk = 0.0009103 k( 814) = ( 0.3846154 0.4132905 0.2411167), wk = 0.0009103 k( 815) = ( 0.3846154 0.4132905 0.3248099), wk = 0.0009103 k( 816) = ( 0.3846154 0.4132905 0.4085032), wk = 0.0009103 k( 817) = ( 0.3846154 0.4132905 0.4921965), wk = 0.0009103 k( 818) = ( 0.3846154 0.4132905 0.5758897), wk = 0.0009103 k( 819) = ( 0.3846154 0.4132905 0.6595830), wk = 0.0009103 k( 820) = ( 0.3846154 0.4132905 0.7432763), wk = 0.0009103 k( 821) = ( 0.3846154 0.4132905 -0.2610429), wk = 0.0009103 k( 822) = ( 0.3846154 0.4132905 -0.1773497), wk = 0.0009103 k( 823) = ( 0.3846154 0.4132905 -0.0936564), wk = 0.0009103 k( 824) = ( 0.3846154 0.4132905 -0.0099631), wk = 0.0009103 k( 825) = ( 0.3846154 0.4132905 0.0737301), wk = 0.0009103 k( 826) = ( 0.3846154 0.4132905 0.1574234), wk = 0.0009103 k( 827) = ( 0.3846154 0.4925799 0.2679074), wk = 0.0009103 k( 828) = ( 0.3846154 0.4925799 0.3516007), wk = 0.0009103 k( 829) = ( 0.3846154 0.4925799 0.4352939), wk = 0.0009103 k( 830) = ( 0.3846154 0.4925799 0.5189872), wk = 0.0009103 k( 831) = ( 0.3846154 0.4925799 0.6026805), wk = 0.0009103 k( 832) = ( 0.3846154 0.4925799 0.6863737), wk = 0.0009103 k( 833) = ( 0.3846154 0.4925799 0.7700670), wk = 0.0009103 k( 834) = ( 0.3846154 0.4925799 -0.2342522), wk = 0.0009103 k( 835) = ( 0.3846154 0.4925799 -0.1505589), wk = 0.0009103 k( 836) = ( 0.3846154 0.4925799 -0.0668656), wk = 0.0009103 k( 837) = ( 0.3846154 0.4925799 0.0168276), wk = 0.0009103 k( 838) = ( 0.3846154 0.4925799 0.1005209), wk = 0.0009103 k( 839) = ( 0.3846154 0.4925799 0.1842141), wk = 0.0009103 k( 840) = ( 0.3846154 0.5718694 0.2946982), wk = 0.0009103 k( 841) = ( 0.3846154 0.5718694 0.3783914), wk = 0.0009103 k( 842) = ( 0.3846154 0.5718694 0.4620847), wk = 0.0009103 k( 843) = ( 0.3846154 0.5718694 0.5457780), wk = 0.0009103 k( 844) = ( 0.3846154 0.5718694 0.6294712), wk = 0.0009103 k( 845) = ( 0.3846154 0.5718694 0.7131645), wk = 0.0009103 k( 846) = ( 0.3846154 0.5718694 0.7968578), wk = 0.0009103 k( 847) = ( 0.3846154 0.5718694 -0.2074614), wk = 0.0009103 k( 848) = ( 0.3846154 0.5718694 -0.1237682), wk = 0.0009103 k( 849) = ( 0.3846154 0.5718694 -0.0400749), wk = 0.0009103 k( 850) = ( 0.3846154 0.5718694 0.0436184), wk = 0.0009103 k( 851) = ( 0.3846154 0.5718694 0.1273116), wk = 0.0009103 k( 852) = ( 0.3846154 0.5718694 0.2110049), wk = 0.0009103 k( 853) = ( 0.3846154 -0.3796042 -0.0267907), wk = 0.0009103 k( 854) = ( 0.3846154 -0.3796042 0.0569025), wk = 0.0009103 k( 855) = ( 0.3846154 -0.3796042 0.1405958), wk = 0.0009103 k( 856) = ( 0.3846154 -0.3796042 0.2242891), wk = 0.0009103 k( 857) = ( 0.3846154 -0.3796042 0.3079823), wk = 0.0009103 k( 858) = ( 0.3846154 -0.3796042 0.3916756), wk = 0.0009103 k( 859) = ( 0.3846154 -0.3796042 0.4753689), wk = 0.0009103 k( 860) = ( 0.3846154 -0.3796042 -0.5289503), wk = 0.0009103 k( 861) = ( 0.3846154 -0.3796042 -0.4452571), wk = 0.0009103 k( 862) = ( 0.3846154 -0.3796042 -0.3615638), wk = 0.0009103 k( 863) = ( 0.3846154 -0.3796042 -0.2778705), wk = 0.0009103 k( 864) = ( 0.3846154 -0.3796042 -0.1941773), wk = 0.0009103 k( 865) = ( 0.3846154 -0.3796042 -0.1104840), wk = 0.0009103 k( 866) = ( 0.3846154 -0.3003147 0.0000000), wk = 0.0009103 k( 867) = ( 0.3846154 -0.3003147 0.0836933), wk = 0.0009103 k( 868) = ( 0.3846154 -0.3003147 0.1673865), wk = 0.0009103 k( 869) = ( 0.3846154 -0.3003147 0.2510798), wk = 0.0009103 k( 870) = ( 0.3846154 -0.3003147 0.3347731), wk = 0.0009103 k( 871) = ( 0.3846154 -0.3003147 0.4184663), wk = 0.0009103 k( 872) = ( 0.3846154 -0.3003147 0.5021596), wk = 0.0009103 k( 873) = ( 0.3846154 -0.3003147 -0.5021596), wk = 0.0009103 k( 874) = ( 0.3846154 -0.3003147 -0.4184663), wk = 0.0009103 k( 875) = ( 0.3846154 -0.3003147 -0.3347731), wk = 0.0009103 k( 876) = ( 0.3846154 -0.3003147 -0.2510798), wk = 0.0009103 k( 877) = ( 0.3846154 -0.3003147 -0.1673865), wk = 0.0009103 k( 878) = ( 0.3846154 -0.3003147 -0.0836933), wk = 0.0009103 k( 879) = ( 0.3846154 -0.2210252 0.0267907), wk = 0.0009103 k( 880) = ( 0.3846154 -0.2210252 0.1104840), wk = 0.0009103 k( 881) = ( 0.3846154 -0.2210252 0.1941773), wk = 0.0009103 k( 882) = ( 0.3846154 -0.2210252 0.2778705), wk = 0.0009103 k( 883) = ( 0.3846154 -0.2210252 0.3615638), wk = 0.0009103 k( 884) = ( 0.3846154 -0.2210252 0.4452571), wk = 0.0009103 k( 885) = ( 0.3846154 -0.2210252 0.5289503), wk = 0.0009103 k( 886) = ( 0.3846154 -0.2210252 -0.4753689), wk = 0.0009103 k( 887) = ( 0.3846154 -0.2210252 -0.3916756), wk = 0.0009103 k( 888) = ( 0.3846154 -0.2210252 -0.3079823), wk = 0.0009103 k( 889) = ( 0.3846154 -0.2210252 -0.2242891), wk = 0.0009103 k( 890) = ( 0.3846154 -0.2210252 -0.1405958), wk = 0.0009103 k( 891) = ( 0.3846154 -0.2210252 -0.0569025), wk = 0.0009103 k( 892) = ( 0.3846154 -0.1417358 0.0535815), wk = 0.0009103 k( 893) = ( 0.3846154 -0.1417358 0.1372747), wk = 0.0009103 k( 894) = ( 0.3846154 -0.1417358 0.2209680), wk = 0.0009103 k( 895) = ( 0.3846154 -0.1417358 0.3046613), wk = 0.0009103 k( 896) = ( 0.3846154 -0.1417358 0.3883545), wk = 0.0009103 k( 897) = ( 0.3846154 -0.1417358 0.4720478), wk = 0.0009103 k( 898) = ( 0.3846154 -0.1417358 0.5557411), wk = 0.0009103 k( 899) = ( 0.3846154 -0.1417358 -0.4485781), wk = 0.0009103 k( 900) = ( 0.3846154 -0.1417358 -0.3648848), wk = 0.0009103 k( 901) = ( 0.3846154 -0.1417358 -0.2811916), wk = 0.0009103 k( 902) = ( 0.3846154 -0.1417358 -0.1974983), wk = 0.0009103 k( 903) = ( 0.3846154 -0.1417358 -0.1138050), wk = 0.0009103 k( 904) = ( 0.3846154 -0.1417358 -0.0301118), wk = 0.0009103 k( 905) = ( 0.3846154 -0.0624463 0.0803722), wk = 0.0009103 k( 906) = ( 0.3846154 -0.0624463 0.1640655), wk = 0.0009103 k( 907) = ( 0.3846154 -0.0624463 0.2477588), wk = 0.0009103 k( 908) = ( 0.3846154 -0.0624463 0.3314520), wk = 0.0009103 k( 909) = ( 0.3846154 -0.0624463 0.4151453), wk = 0.0009103 k( 910) = ( 0.3846154 -0.0624463 0.4988386), wk = 0.0009103 k( 911) = ( 0.3846154 -0.0624463 0.5825318), wk = 0.0009103 k( 912) = ( 0.3846154 -0.0624463 -0.4217874), wk = 0.0009103 k( 913) = ( 0.3846154 -0.0624463 -0.3380941), wk = 0.0009103 k( 914) = ( 0.3846154 -0.0624463 -0.2544008), wk = 0.0009103 k( 915) = ( 0.3846154 -0.0624463 -0.1707076), wk = 0.0009103 k( 916) = ( 0.3846154 -0.0624463 -0.0870143), wk = 0.0009103 k( 917) = ( 0.3846154 -0.0624463 -0.0033210), wk = 0.0009103 k( 918) = ( 0.3846154 0.0168432 0.1071630), wk = 0.0009103 k( 919) = ( 0.3846154 0.0168432 0.1908562), wk = 0.0009103 k( 920) = ( 0.3846154 0.0168432 0.2745495), wk = 0.0009103 k( 921) = ( 0.3846154 0.0168432 0.3582428), wk = 0.0009103 k( 922) = ( 0.3846154 0.0168432 0.4419360), wk = 0.0009103 k( 923) = ( 0.3846154 0.0168432 0.5256293), wk = 0.0009103 k( 924) = ( 0.3846154 0.0168432 0.6093226), wk = 0.0009103 k( 925) = ( 0.3846154 0.0168432 -0.3949966), wk = 0.0009103 k( 926) = ( 0.3846154 0.0168432 -0.3113034), wk = 0.0009103 k( 927) = ( 0.3846154 0.0168432 -0.2276101), wk = 0.0009103 k( 928) = ( 0.3846154 0.0168432 -0.1439168), wk = 0.0009103 k( 929) = ( 0.3846154 0.0168432 -0.0602236), wk = 0.0009103 k( 930) = ( 0.3846154 0.0168432 0.0234697), wk = 0.0009103 k( 931) = ( 0.4615385 0.1153591 0.1607444), wk = 0.0009103 k( 932) = ( 0.4615385 0.1153591 0.2444377), wk = 0.0009103 k( 933) = ( 0.4615385 0.1153591 0.3281310), wk = 0.0009103 k( 934) = ( 0.4615385 0.1153591 0.4118242), wk = 0.0009103 k( 935) = ( 0.4615385 0.1153591 0.4955175), wk = 0.0009103 k( 936) = ( 0.4615385 0.1153591 0.5792108), wk = 0.0009103 k( 937) = ( 0.4615385 0.1153591 0.6629040), wk = 0.0009103 k( 938) = ( 0.4615385 0.1153591 -0.3414151), wk = 0.0009103 k( 939) = ( 0.4615385 0.1153591 -0.2577219), wk = 0.0009103 k( 940) = ( 0.4615385 0.1153591 -0.1740286), wk = 0.0009103 k( 941) = ( 0.4615385 0.1153591 -0.0903353), wk = 0.0009103 k( 942) = ( 0.4615385 0.1153591 -0.0066421), wk = 0.0009103 k( 943) = ( 0.4615385 0.1153591 0.0770512), wk = 0.0009103 k( 944) = ( 0.4615385 0.1946486 0.1875352), wk = 0.0009103 k( 945) = ( 0.4615385 0.1946486 0.2712285), wk = 0.0009103 k( 946) = ( 0.4615385 0.1946486 0.3549217), wk = 0.0009103 k( 947) = ( 0.4615385 0.1946486 0.4386150), wk = 0.0009103 k( 948) = ( 0.4615385 0.1946486 0.5223083), wk = 0.0009103 k( 949) = ( 0.4615385 0.1946486 0.6060015), wk = 0.0009103 k( 950) = ( 0.4615385 0.1946486 0.6896948), wk = 0.0009103 k( 951) = ( 0.4615385 0.1946486 -0.3146244), wk = 0.0009103 k( 952) = ( 0.4615385 0.1946486 -0.2309311), wk = 0.0009103 k( 953) = ( 0.4615385 0.1946486 -0.1472379), wk = 0.0009103 k( 954) = ( 0.4615385 0.1946486 -0.0635446), wk = 0.0009103 k( 955) = ( 0.4615385 0.1946486 0.0201487), wk = 0.0009103 k( 956) = ( 0.4615385 0.1946486 0.1038419), wk = 0.0009103 k( 957) = ( 0.4615385 0.2739381 0.2143259), wk = 0.0009103 k( 958) = ( 0.4615385 0.2739381 0.2980192), wk = 0.0009103 k( 959) = ( 0.4615385 0.2739381 0.3817125), wk = 0.0009103 k( 960) = ( 0.4615385 0.2739381 0.4654057), wk = 0.0009103 k( 961) = ( 0.4615385 0.2739381 0.5490990), wk = 0.0009103 k( 962) = ( 0.4615385 0.2739381 0.6327923), wk = 0.0009103 k( 963) = ( 0.4615385 0.2739381 0.7164855), wk = 0.0009103 k( 964) = ( 0.4615385 0.2739381 -0.2878337), wk = 0.0009103 k( 965) = ( 0.4615385 0.2739381 -0.2041404), wk = 0.0009103 k( 966) = ( 0.4615385 0.2739381 -0.1204471), wk = 0.0009103 k( 967) = ( 0.4615385 0.2739381 -0.0367539), wk = 0.0009103 k( 968) = ( 0.4615385 0.2739381 0.0469394), wk = 0.0009103 k( 969) = ( 0.4615385 0.2739381 0.1306327), wk = 0.0009103 k( 970) = ( 0.4615385 0.3532275 0.2411167), wk = 0.0009103 k( 971) = ( 0.4615385 0.3532275 0.3248099), wk = 0.0009103 k( 972) = ( 0.4615385 0.3532275 0.4085032), wk = 0.0009103 k( 973) = ( 0.4615385 0.3532275 0.4921965), wk = 0.0009103 k( 974) = ( 0.4615385 0.3532275 0.5758897), wk = 0.0009103 k( 975) = ( 0.4615385 0.3532275 0.6595830), wk = 0.0009103 k( 976) = ( 0.4615385 0.3532275 0.7432763), wk = 0.0009103 k( 977) = ( 0.4615385 0.3532275 -0.2610429), wk = 0.0009103 k( 978) = ( 0.4615385 0.3532275 -0.1773497), wk = 0.0009103 k( 979) = ( 0.4615385 0.3532275 -0.0936564), wk = 0.0009103 k( 980) = ( 0.4615385 0.3532275 -0.0099631), wk = 0.0009103 k( 981) = ( 0.4615385 0.3532275 0.0737301), wk = 0.0009103 k( 982) = ( 0.4615385 0.3532275 0.1574234), wk = 0.0009103 k( 983) = ( 0.4615385 0.4325170 0.2679074), wk = 0.0009103 k( 984) = ( 0.4615385 0.4325170 0.3516007), wk = 0.0009103 k( 985) = ( 0.4615385 0.4325170 0.4352939), wk = 0.0009103 k( 986) = ( 0.4615385 0.4325170 0.5189872), wk = 0.0009103 k( 987) = ( 0.4615385 0.4325170 0.6026805), wk = 0.0009103 k( 988) = ( 0.4615385 0.4325170 0.6863737), wk = 0.0009103 k( 989) = ( 0.4615385 0.4325170 0.7700670), wk = 0.0009103 k( 990) = ( 0.4615385 0.4325170 -0.2342522), wk = 0.0009103 k( 991) = ( 0.4615385 0.4325170 -0.1505589), wk = 0.0009103 k( 992) = ( 0.4615385 0.4325170 -0.0668656), wk = 0.0009103 k( 993) = ( 0.4615385 0.4325170 0.0168276), wk = 0.0009103 k( 994) = ( 0.4615385 0.4325170 0.1005209), wk = 0.0009103 k( 995) = ( 0.4615385 0.4325170 0.1842141), wk = 0.0009103 k( 996) = ( 0.4615385 0.5118065 0.2946982), wk = 0.0009103 k( 997) = ( 0.4615385 0.5118065 0.3783914), wk = 0.0009103 k( 998) = ( 0.4615385 0.5118065 0.4620847), wk = 0.0009103 k( 999) = ( 0.4615385 0.5118065 0.5457780), wk = 0.0009103 k( 1000) = ( 0.4615385 0.5118065 0.6294712), wk = 0.0009103 k( 1001) = ( 0.4615385 0.5118065 0.7131645), wk = 0.0009103 k( 1002) = ( 0.4615385 0.5118065 0.7968578), wk = 0.0009103 k( 1003) = ( 0.4615385 0.5118065 -0.2074614), wk = 0.0009103 k( 1004) = ( 0.4615385 0.5118065 -0.1237682), wk = 0.0009103 k( 1005) = ( 0.4615385 0.5118065 -0.0400749), wk = 0.0009103 k( 1006) = ( 0.4615385 0.5118065 0.0436184), wk = 0.0009103 k( 1007) = ( 0.4615385 0.5118065 0.1273116), wk = 0.0009103 k( 1008) = ( 0.4615385 0.5118065 0.2110049), wk = 0.0009103 k( 1009) = ( 0.4615385 0.5910959 0.3214889), wk = 0.0009103 k( 1010) = ( 0.4615385 0.5910959 0.4051822), wk = 0.0009103 k( 1011) = ( 0.4615385 0.5910959 0.4888754), wk = 0.0009103 k( 1012) = ( 0.4615385 0.5910959 0.5725687), wk = 0.0009103 k( 1013) = ( 0.4615385 0.5910959 0.6562620), wk = 0.0009103 k( 1014) = ( 0.4615385 0.5910959 0.7399552), wk = 0.0009103 k( 1015) = ( 0.4615385 0.5910959 0.8236485), wk = 0.0009103 k( 1016) = ( 0.4615385 0.5910959 -0.1806707), wk = 0.0009103 k( 1017) = ( 0.4615385 0.5910959 -0.0969774), wk = 0.0009103 k( 1018) = ( 0.4615385 0.5910959 -0.0132842), wk = 0.0009103 k( 1019) = ( 0.4615385 0.5910959 0.0704091), wk = 0.0009103 k( 1020) = ( 0.4615385 0.5910959 0.1541024), wk = 0.0009103 k( 1021) = ( 0.4615385 0.5910959 0.2377956), wk = 0.0009103 k( 1022) = ( 0.4615385 -0.3603776 -0.0000000), wk = 0.0009103 k( 1023) = ( 0.4615385 -0.3603776 0.0836933), wk = 0.0009103 k( 1024) = ( 0.4615385 -0.3603776 0.1673865), wk = 0.0009103 k( 1025) = ( 0.4615385 -0.3603776 0.2510798), wk = 0.0009103 k( 1026) = ( 0.4615385 -0.3603776 0.3347731), wk = 0.0009103 k( 1027) = ( 0.4615385 -0.3603776 0.4184663), wk = 0.0009103 k( 1028) = ( 0.4615385 -0.3603776 0.5021596), wk = 0.0009103 k( 1029) = ( 0.4615385 -0.3603776 -0.5021596), wk = 0.0009103 k( 1030) = ( 0.4615385 -0.3603776 -0.4184663), wk = 0.0009103 k( 1031) = ( 0.4615385 -0.3603776 -0.3347731), wk = 0.0009103 k( 1032) = ( 0.4615385 -0.3603776 -0.2510798), wk = 0.0009103 k( 1033) = ( 0.4615385 -0.3603776 -0.1673865), wk = 0.0009103 k( 1034) = ( 0.4615385 -0.3603776 -0.0836933), wk = 0.0009103 k( 1035) = ( 0.4615385 -0.2810882 0.0267907), wk = 0.0009103 k( 1036) = ( 0.4615385 -0.2810882 0.1104840), wk = 0.0009103 k( 1037) = ( 0.4615385 -0.2810882 0.1941773), wk = 0.0009103 k( 1038) = ( 0.4615385 -0.2810882 0.2778705), wk = 0.0009103 k( 1039) = ( 0.4615385 -0.2810882 0.3615638), wk = 0.0009103 k( 1040) = ( 0.4615385 -0.2810882 0.4452571), wk = 0.0009103 k( 1041) = ( 0.4615385 -0.2810882 0.5289503), wk = 0.0009103 k( 1042) = ( 0.4615385 -0.2810882 -0.4753689), wk = 0.0009103 k( 1043) = ( 0.4615385 -0.2810882 -0.3916756), wk = 0.0009103 k( 1044) = ( 0.4615385 -0.2810882 -0.3079823), wk = 0.0009103 k( 1045) = ( 0.4615385 -0.2810882 -0.2242891), wk = 0.0009103 k( 1046) = ( 0.4615385 -0.2810882 -0.1405958), wk = 0.0009103 k( 1047) = ( 0.4615385 -0.2810882 -0.0569025), wk = 0.0009103 k( 1048) = ( 0.4615385 -0.2017987 0.0535815), wk = 0.0009103 k( 1049) = ( 0.4615385 -0.2017987 0.1372747), wk = 0.0009103 k( 1050) = ( 0.4615385 -0.2017987 0.2209680), wk = 0.0009103 k( 1051) = ( 0.4615385 -0.2017987 0.3046613), wk = 0.0009103 k( 1052) = ( 0.4615385 -0.2017987 0.3883545), wk = 0.0009103 k( 1053) = ( 0.4615385 -0.2017987 0.4720478), wk = 0.0009103 k( 1054) = ( 0.4615385 -0.2017987 0.5557411), wk = 0.0009103 k( 1055) = ( 0.4615385 -0.2017987 -0.4485781), wk = 0.0009103 k( 1056) = ( 0.4615385 -0.2017987 -0.3648848), wk = 0.0009103 k( 1057) = ( 0.4615385 -0.2017987 -0.2811916), wk = 0.0009103 k( 1058) = ( 0.4615385 -0.2017987 -0.1974983), wk = 0.0009103 k( 1059) = ( 0.4615385 -0.2017987 -0.1138050), wk = 0.0009103 k( 1060) = ( 0.4615385 -0.2017987 -0.0301118), wk = 0.0009103 k( 1061) = ( 0.4615385 -0.1225092 0.0803722), wk = 0.0009103 k( 1062) = ( 0.4615385 -0.1225092 0.1640655), wk = 0.0009103 k( 1063) = ( 0.4615385 -0.1225092 0.2477588), wk = 0.0009103 k( 1064) = ( 0.4615385 -0.1225092 0.3314520), wk = 0.0009103 k( 1065) = ( 0.4615385 -0.1225092 0.4151453), wk = 0.0009103 k( 1066) = ( 0.4615385 -0.1225092 0.4988386), wk = 0.0009103 k( 1067) = ( 0.4615385 -0.1225092 0.5825318), wk = 0.0009103 k( 1068) = ( 0.4615385 -0.1225092 -0.4217874), wk = 0.0009103 k( 1069) = ( 0.4615385 -0.1225092 -0.3380941), wk = 0.0009103 k( 1070) = ( 0.4615385 -0.1225092 -0.2544008), wk = 0.0009103 k( 1071) = ( 0.4615385 -0.1225092 -0.1707076), wk = 0.0009103 k( 1072) = ( 0.4615385 -0.1225092 -0.0870143), wk = 0.0009103 k( 1073) = ( 0.4615385 -0.1225092 -0.0033210), wk = 0.0009103 k( 1074) = ( 0.4615385 -0.0432198 0.1071630), wk = 0.0009103 k( 1075) = ( 0.4615385 -0.0432198 0.1908562), wk = 0.0009103 k( 1076) = ( 0.4615385 -0.0432198 0.2745495), wk = 0.0009103 k( 1077) = ( 0.4615385 -0.0432198 0.3582428), wk = 0.0009103 k( 1078) = ( 0.4615385 -0.0432198 0.4419360), wk = 0.0009103 k( 1079) = ( 0.4615385 -0.0432198 0.5256293), wk = 0.0009103 k( 1080) = ( 0.4615385 -0.0432198 0.6093226), wk = 0.0009103 k( 1081) = ( 0.4615385 -0.0432198 -0.3949966), wk = 0.0009103 k( 1082) = ( 0.4615385 -0.0432198 -0.3113034), wk = 0.0009103 k( 1083) = ( 0.4615385 -0.0432198 -0.2276101), wk = 0.0009103 k( 1084) = ( 0.4615385 -0.0432198 -0.1439168), wk = 0.0009103 k( 1085) = ( 0.4615385 -0.0432198 -0.0602236), wk = 0.0009103 k( 1086) = ( 0.4615385 -0.0432198 0.0234697), wk = 0.0009103 k( 1087) = ( 0.4615385 0.0360697 0.1339537), wk = 0.0009103 k( 1088) = ( 0.4615385 0.0360697 0.2176470), wk = 0.0009103 k( 1089) = ( 0.4615385 0.0360697 0.3013402), wk = 0.0009103 k( 1090) = ( 0.4615385 0.0360697 0.3850335), wk = 0.0009103 k( 1091) = ( 0.4615385 0.0360697 0.4687268), wk = 0.0009103 k( 1092) = ( 0.4615385 0.0360697 0.5524200), wk = 0.0009103 k( 1093) = ( 0.4615385 0.0360697 0.6361133), wk = 0.0009103 k( 1094) = ( 0.4615385 0.0360697 -0.3682059), wk = 0.0009103 k( 1095) = ( 0.4615385 0.0360697 -0.2845126), wk = 0.0009103 k( 1096) = ( 0.4615385 0.0360697 -0.2008194), wk = 0.0009103 k( 1097) = ( 0.4615385 0.0360697 -0.1171261), wk = 0.0009103 k( 1098) = ( 0.4615385 0.0360697 -0.0334328), wk = 0.0009103 k( 1099) = ( 0.4615385 0.0360697 0.0502604), wk = 0.0009103 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0004552 k( 2) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0009103 k( 3) = ( 0.0000000 0.0000000 0.1538462), wk = 0.0009103 k( 4) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0009103 k( 5) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0009103 k( 6) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0009103 k( 7) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0009103 k( 8) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0009103 k( 9) = ( 0.0000000 0.0769231 0.0769231), wk = 0.0009103 k( 10) = ( 0.0000000 0.0769231 0.1538462), wk = 0.0009103 k( 11) = ( 0.0000000 0.0769231 0.2307692), wk = 0.0009103 k( 12) = ( 0.0000000 0.0769231 0.3076923), wk = 0.0009103 k( 13) = ( 0.0000000 0.0769231 0.3846154), wk = 0.0009103 k( 14) = ( 0.0000000 0.0769231 0.4615385), wk = 0.0009103 k( 15) = ( 0.0000000 0.0769231 -0.4615385), wk = 0.0009103 k( 16) = ( 0.0000000 0.0769231 -0.3846154), wk = 0.0009103 k( 17) = ( 0.0000000 0.0769231 -0.3076923), wk = 0.0009103 k( 18) = ( 0.0000000 0.0769231 -0.2307692), wk = 0.0009103 k( 19) = ( 0.0000000 0.0769231 -0.1538462), wk = 0.0009103 k( 20) = ( 0.0000000 0.0769231 -0.0769231), wk = 0.0009103 k( 21) = ( 0.0000000 0.1538462 0.0000000), wk = 0.0009103 k( 22) = ( 0.0000000 0.1538462 0.0769231), wk = 0.0009103 k( 23) = ( 0.0000000 0.1538462 0.1538462), wk = 0.0009103 k( 24) = ( 0.0000000 0.1538462 0.2307692), wk = 0.0009103 k( 25) = ( 0.0000000 0.1538462 0.3076923), wk = 0.0009103 k( 26) = ( 0.0000000 0.1538462 0.3846154), wk = 0.0009103 k( 27) = ( 0.0000000 0.1538462 0.4615385), wk = 0.0009103 k( 28) = ( 0.0000000 0.1538462 -0.4615385), wk = 0.0009103 k( 29) = ( 0.0000000 0.1538462 -0.3846154), wk = 0.0009103 k( 30) = ( 0.0000000 0.1538462 -0.3076923), wk = 0.0009103 k( 31) = ( 0.0000000 0.1538462 -0.2307692), wk = 0.0009103 k( 32) = ( 0.0000000 0.1538462 -0.1538462), wk = 0.0009103 k( 33) = ( 0.0000000 0.1538462 -0.0769231), wk = 0.0009103 k( 34) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0009103 k( 35) = ( 0.0000000 0.2307692 0.0769231), wk = 0.0009103 k( 36) = ( 0.0000000 0.2307692 0.1538462), wk = 0.0009103 k( 37) = ( 0.0000000 0.2307692 0.2307692), wk = 0.0009103 k( 38) = ( 0.0000000 0.2307692 0.3076923), wk = 0.0009103 k( 39) = ( 0.0000000 0.2307692 0.3846154), wk = 0.0009103 k( 40) = ( 0.0000000 0.2307692 0.4615385), wk = 0.0009103 k( 41) = ( 0.0000000 0.2307692 -0.4615385), wk = 0.0009103 k( 42) = ( 0.0000000 0.2307692 -0.3846154), wk = 0.0009103 k( 43) = ( 0.0000000 0.2307692 -0.3076923), wk = 0.0009103 k( 44) = ( 0.0000000 0.2307692 -0.2307692), wk = 0.0009103 k( 45) = ( 0.0000000 0.2307692 -0.1538462), wk = 0.0009103 k( 46) = ( 0.0000000 0.2307692 -0.0769231), wk = 0.0009103 k( 47) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0009103 k( 48) = ( 0.0000000 0.3076923 0.0769231), wk = 0.0009103 k( 49) = ( 0.0000000 0.3076923 0.1538462), wk = 0.0009103 k( 50) = ( 0.0000000 0.3076923 0.2307692), wk = 0.0009103 k( 51) = ( 0.0000000 0.3076923 0.3076923), wk = 0.0009103 k( 52) = ( 0.0000000 0.3076923 0.3846154), wk = 0.0009103 k( 53) = ( 0.0000000 0.3076923 0.4615385), wk = 0.0009103 k( 54) = ( 0.0000000 0.3076923 -0.4615385), wk = 0.0009103 k( 55) = ( 0.0000000 0.3076923 -0.3846154), wk = 0.0009103 k( 56) = ( 0.0000000 0.3076923 -0.3076923), wk = 0.0009103 k( 57) = ( 0.0000000 0.3076923 -0.2307692), wk = 0.0009103 k( 58) = ( 0.0000000 0.3076923 -0.1538462), wk = 0.0009103 k( 59) = ( 0.0000000 0.3076923 -0.0769231), wk = 0.0009103 k( 60) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0009103 k( 61) = ( 0.0000000 0.3846154 0.0769231), wk = 0.0009103 k( 62) = ( 0.0000000 0.3846154 0.1538462), wk = 0.0009103 k( 63) = ( 0.0000000 0.3846154 0.2307692), wk = 0.0009103 k( 64) = ( 0.0000000 0.3846154 0.3076923), wk = 0.0009103 k( 65) = ( 0.0000000 0.3846154 0.3846154), wk = 0.0009103 k( 66) = ( 0.0000000 0.3846154 0.4615385), wk = 0.0009103 k( 67) = ( 0.0000000 0.3846154 -0.4615385), wk = 0.0009103 k( 68) = ( 0.0000000 0.3846154 -0.3846154), wk = 0.0009103 k( 69) = ( 0.0000000 0.3846154 -0.3076923), wk = 0.0009103 k( 70) = ( 0.0000000 0.3846154 -0.2307692), wk = 0.0009103 k( 71) = ( 0.0000000 0.3846154 -0.1538462), wk = 0.0009103 k( 72) = ( 0.0000000 0.3846154 -0.0769231), wk = 0.0009103 k( 73) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0009103 k( 74) = ( 0.0000000 0.4615385 0.0769231), wk = 0.0009103 k( 75) = ( 0.0000000 0.4615385 0.1538462), wk = 0.0009103 k( 76) = ( 0.0000000 0.4615385 0.2307692), wk = 0.0009103 k( 77) = ( 0.0000000 0.4615385 0.3076923), wk = 0.0009103 k( 78) = ( 0.0000000 0.4615385 0.3846154), wk = 0.0009103 k( 79) = ( 0.0000000 0.4615385 0.4615385), wk = 0.0009103 k( 80) = ( 0.0000000 0.4615385 -0.4615385), wk = 0.0009103 k( 81) = ( 0.0000000 0.4615385 -0.3846154), wk = 0.0009103 k( 82) = ( 0.0000000 0.4615385 -0.3076923), wk = 0.0009103 k( 83) = ( 0.0000000 0.4615385 -0.2307692), wk = 0.0009103 k( 84) = ( 0.0000000 0.4615385 -0.1538462), wk = 0.0009103 k( 85) = ( 0.0000000 0.4615385 -0.0769231), wk = 0.0009103 k( 86) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0009103 k( 87) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0009103 k( 88) = ( 0.0769231 -0.0000000 0.1538462), wk = 0.0009103 k( 89) = ( 0.0769231 -0.0000000 0.2307692), wk = 0.0009103 k( 90) = ( 0.0769231 -0.0000000 0.3076923), wk = 0.0009103 k( 91) = ( 0.0769231 -0.0000000 0.3846154), wk = 0.0009103 k( 92) = ( 0.0769231 -0.0000000 0.4615385), wk = 0.0009103 k( 93) = ( 0.0769231 -0.0000000 -0.4615385), wk = 0.0009103 k( 94) = ( 0.0769231 -0.0000000 -0.3846154), wk = 0.0009103 k( 95) = ( 0.0769231 -0.0000000 -0.3076923), wk = 0.0009103 k( 96) = ( 0.0769231 -0.0000000 -0.2307692), wk = 0.0009103 k( 97) = ( 0.0769231 -0.0000000 -0.1538462), wk = 0.0009103 k( 98) = ( 0.0769231 -0.0000000 -0.0769231), wk = 0.0009103 k( 99) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0009103 k( 100) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0009103 k( 101) = ( 0.0769231 0.0769231 0.1538462), wk = 0.0009103 k( 102) = ( 0.0769231 0.0769231 0.2307692), wk = 0.0009103 k( 103) = ( 0.0769231 0.0769231 0.3076923), wk = 0.0009103 k( 104) = ( 0.0769231 0.0769231 0.3846154), wk = 0.0009103 k( 105) = ( 0.0769231 0.0769231 0.4615385), wk = 0.0009103 k( 106) = ( 0.0769231 0.0769231 -0.4615385), wk = 0.0009103 k( 107) = ( 0.0769231 0.0769231 -0.3846154), wk = 0.0009103 k( 108) = ( 0.0769231 0.0769231 -0.3076923), wk = 0.0009103 k( 109) = ( 0.0769231 0.0769231 -0.2307692), wk = 0.0009103 k( 110) = ( 0.0769231 0.0769231 -0.1538462), wk = 0.0009103 k( 111) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0009103 k( 112) = ( 0.0769231 0.1538462 0.0000000), wk = 0.0009103 k( 113) = ( 0.0769231 0.1538462 0.0769231), wk = 0.0009103 k( 114) = ( 0.0769231 0.1538462 0.1538462), wk = 0.0009103 k( 115) = ( 0.0769231 0.1538462 0.2307692), wk = 0.0009103 k( 116) = ( 0.0769231 0.1538462 0.3076923), wk = 0.0009103 k( 117) = ( 0.0769231 0.1538462 0.3846154), wk = 0.0009103 k( 118) = ( 0.0769231 0.1538462 0.4615385), wk = 0.0009103 k( 119) = ( 0.0769231 0.1538462 -0.4615385), wk = 0.0009103 k( 120) = ( 0.0769231 0.1538462 -0.3846154), wk = 0.0009103 k( 121) = ( 0.0769231 0.1538462 -0.3076923), wk = 0.0009103 k( 122) = ( 0.0769231 0.1538462 -0.2307692), wk = 0.0009103 k( 123) = ( 0.0769231 0.1538462 -0.1538462), wk = 0.0009103 k( 124) = ( 0.0769231 0.1538462 -0.0769231), wk = 0.0009103 k( 125) = ( 0.0769231 0.2307692 0.0000000), wk = 0.0009103 k( 126) = ( 0.0769231 0.2307692 0.0769231), wk = 0.0009103 k( 127) = ( 0.0769231 0.2307692 0.1538462), wk = 0.0009103 k( 128) = ( 0.0769231 0.2307692 0.2307692), wk = 0.0009103 k( 129) = ( 0.0769231 0.2307692 0.3076923), wk = 0.0009103 k( 130) = ( 0.0769231 0.2307692 0.3846154), wk = 0.0009103 k( 131) = ( 0.0769231 0.2307692 0.4615385), wk = 0.0009103 k( 132) = ( 0.0769231 0.2307692 -0.4615385), wk = 0.0009103 k( 133) = ( 0.0769231 0.2307692 -0.3846154), wk = 0.0009103 k( 134) = ( 0.0769231 0.2307692 -0.3076923), wk = 0.0009103 k( 135) = ( 0.0769231 0.2307692 -0.2307692), wk = 0.0009103 k( 136) = ( 0.0769231 0.2307692 -0.1538462), wk = 0.0009103 k( 137) = ( 0.0769231 0.2307692 -0.0769231), wk = 0.0009103 k( 138) = ( 0.0769231 0.3076923 0.0000000), wk = 0.0009103 k( 139) = ( 0.0769231 0.3076923 0.0769231), wk = 0.0009103 k( 140) = ( 0.0769231 0.3076923 0.1538462), wk = 0.0009103 k( 141) = ( 0.0769231 0.3076923 0.2307692), wk = 0.0009103 k( 142) = ( 0.0769231 0.3076923 0.3076923), wk = 0.0009103 k( 143) = ( 0.0769231 0.3076923 0.3846154), wk = 0.0009103 k( 144) = ( 0.0769231 0.3076923 0.4615385), wk = 0.0009103 k( 145) = ( 0.0769231 0.3076923 -0.4615385), wk = 0.0009103 k( 146) = ( 0.0769231 0.3076923 -0.3846154), wk = 0.0009103 k( 147) = ( 0.0769231 0.3076923 -0.3076923), wk = 0.0009103 k( 148) = ( 0.0769231 0.3076923 -0.2307692), wk = 0.0009103 k( 149) = ( 0.0769231 0.3076923 -0.1538462), wk = 0.0009103 k( 150) = ( 0.0769231 0.3076923 -0.0769231), wk = 0.0009103 k( 151) = ( 0.0769231 0.3846154 0.0000000), wk = 0.0009103 k( 152) = ( 0.0769231 0.3846154 0.0769231), wk = 0.0009103 k( 153) = ( 0.0769231 0.3846154 0.1538462), wk = 0.0009103 k( 154) = ( 0.0769231 0.3846154 0.2307692), wk = 0.0009103 k( 155) = ( 0.0769231 0.3846154 0.3076923), wk = 0.0009103 k( 156) = ( 0.0769231 0.3846154 0.3846154), wk = 0.0009103 k( 157) = ( 0.0769231 0.3846154 0.4615385), wk = 0.0009103 k( 158) = ( 0.0769231 0.3846154 -0.4615385), wk = 0.0009103 k( 159) = ( 0.0769231 0.3846154 -0.3846154), wk = 0.0009103 k( 160) = ( 0.0769231 0.3846154 -0.3076923), wk = 0.0009103 k( 161) = ( 0.0769231 0.3846154 -0.2307692), wk = 0.0009103 k( 162) = ( 0.0769231 0.3846154 -0.1538462), wk = 0.0009103 k( 163) = ( 0.0769231 0.3846154 -0.0769231), wk = 0.0009103 k( 164) = ( 0.0769231 0.4615385 0.0000000), wk = 0.0009103 k( 165) = ( 0.0769231 0.4615385 0.0769231), wk = 0.0009103 k( 166) = ( 0.0769231 0.4615385 0.1538462), wk = 0.0009103 k( 167) = ( 0.0769231 0.4615385 0.2307692), wk = 0.0009103 k( 168) = ( 0.0769231 0.4615385 0.3076923), wk = 0.0009103 k( 169) = ( 0.0769231 0.4615385 0.3846154), wk = 0.0009103 k( 170) = ( 0.0769231 0.4615385 0.4615385), wk = 0.0009103 k( 171) = ( 0.0769231 0.4615385 -0.4615385), wk = 0.0009103 k( 172) = ( 0.0769231 0.4615385 -0.3846154), wk = 0.0009103 k( 173) = ( 0.0769231 0.4615385 -0.3076923), wk = 0.0009103 k( 174) = ( 0.0769231 0.4615385 -0.2307692), wk = 0.0009103 k( 175) = ( 0.0769231 0.4615385 -0.1538462), wk = 0.0009103 k( 176) = ( 0.0769231 0.4615385 -0.0769231), wk = 0.0009103 k( 177) = ( 0.0769231 -0.4615385 -0.0000000), wk = 0.0009103 k( 178) = ( 0.0769231 -0.4615385 0.0769231), wk = 0.0009103 k( 179) = ( 0.0769231 -0.4615385 0.1538462), wk = 0.0009103 k( 180) = ( 0.0769231 -0.4615385 0.2307692), wk = 0.0009103 k( 181) = ( 0.0769231 -0.4615385 0.3076923), wk = 0.0009103 k( 182) = ( 0.0769231 -0.4615385 0.3846154), wk = 0.0009103 k( 183) = ( 0.0769231 -0.4615385 0.4615385), wk = 0.0009103 k( 184) = ( 0.0769231 -0.4615385 -0.4615385), wk = 0.0009103 k( 185) = ( 0.0769231 -0.4615385 -0.3846154), wk = 0.0009103 k( 186) = ( 0.0769231 -0.4615385 -0.3076923), wk = 0.0009103 k( 187) = ( 0.0769231 -0.4615385 -0.2307692), wk = 0.0009103 k( 188) = ( 0.0769231 -0.4615385 -0.1538462), wk = 0.0009103 k( 189) = ( 0.0769231 -0.4615385 -0.0769231), wk = 0.0009103 k( 190) = ( 0.0769231 -0.3846154 -0.0000000), wk = 0.0009103 k( 191) = ( 0.0769231 -0.3846154 0.0769231), wk = 0.0009103 k( 192) = ( 0.0769231 -0.3846154 0.1538462), wk = 0.0009103 k( 193) = ( 0.0769231 -0.3846154 0.2307692), wk = 0.0009103 k( 194) = ( 0.0769231 -0.3846154 0.3076923), wk = 0.0009103 k( 195) = ( 0.0769231 -0.3846154 0.3846154), wk = 0.0009103 k( 196) = ( 0.0769231 -0.3846154 0.4615385), wk = 0.0009103 k( 197) = ( 0.0769231 -0.3846154 -0.4615385), wk = 0.0009103 k( 198) = ( 0.0769231 -0.3846154 -0.3846154), wk = 0.0009103 k( 199) = ( 0.0769231 -0.3846154 -0.3076923), wk = 0.0009103 k( 200) = ( 0.0769231 -0.3846154 -0.2307692), wk = 0.0009103 k( 201) = ( 0.0769231 -0.3846154 -0.1538462), wk = 0.0009103 k( 202) = ( 0.0769231 -0.3846154 -0.0769231), wk = 0.0009103 k( 203) = ( 0.0769231 -0.3076923 -0.0000000), wk = 0.0009103 k( 204) = ( 0.0769231 -0.3076923 0.0769231), wk = 0.0009103 k( 205) = ( 0.0769231 -0.3076923 0.1538462), wk = 0.0009103 k( 206) = ( 0.0769231 -0.3076923 0.2307692), wk = 0.0009103 k( 207) = ( 0.0769231 -0.3076923 0.3076923), wk = 0.0009103 k( 208) = ( 0.0769231 -0.3076923 0.3846154), wk = 0.0009103 k( 209) = ( 0.0769231 -0.3076923 0.4615385), wk = 0.0009103 k( 210) = ( 0.0769231 -0.3076923 -0.4615385), wk = 0.0009103 k( 211) = ( 0.0769231 -0.3076923 -0.3846154), wk = 0.0009103 k( 212) = ( 0.0769231 -0.3076923 -0.3076923), wk = 0.0009103 k( 213) = ( 0.0769231 -0.3076923 -0.2307692), wk = 0.0009103 k( 214) = ( 0.0769231 -0.3076923 -0.1538462), wk = 0.0009103 k( 215) = ( 0.0769231 -0.3076923 -0.0769231), wk = 0.0009103 k( 216) = ( 0.0769231 -0.2307692 -0.0000000), wk = 0.0009103 k( 217) = ( 0.0769231 -0.2307692 0.0769231), wk = 0.0009103 k( 218) = ( 0.0769231 -0.2307692 0.1538462), wk = 0.0009103 k( 219) = ( 0.0769231 -0.2307692 0.2307692), wk = 0.0009103 k( 220) = ( 0.0769231 -0.2307692 0.3076923), wk = 0.0009103 k( 221) = ( 0.0769231 -0.2307692 0.3846154), wk = 0.0009103 k( 222) = ( 0.0769231 -0.2307692 0.4615385), wk = 0.0009103 k( 223) = ( 0.0769231 -0.2307692 -0.4615385), wk = 0.0009103 k( 224) = ( 0.0769231 -0.2307692 -0.3846154), wk = 0.0009103 k( 225) = ( 0.0769231 -0.2307692 -0.3076923), wk = 0.0009103 k( 226) = ( 0.0769231 -0.2307692 -0.2307692), wk = 0.0009103 k( 227) = ( 0.0769231 -0.2307692 -0.1538462), wk = 0.0009103 k( 228) = ( 0.0769231 -0.2307692 -0.0769231), wk = 0.0009103 k( 229) = ( 0.0769231 -0.1538462 -0.0000000), wk = 0.0009103 k( 230) = ( 0.0769231 -0.1538462 0.0769231), wk = 0.0009103 k( 231) = ( 0.0769231 -0.1538462 0.1538462), wk = 0.0009103 k( 232) = ( 0.0769231 -0.1538462 0.2307692), wk = 0.0009103 k( 233) = ( 0.0769231 -0.1538462 0.3076923), wk = 0.0009103 k( 234) = ( 0.0769231 -0.1538462 0.3846154), wk = 0.0009103 k( 235) = ( 0.0769231 -0.1538462 0.4615385), wk = 0.0009103 k( 236) = ( 0.0769231 -0.1538462 -0.4615385), wk = 0.0009103 k( 237) = ( 0.0769231 -0.1538462 -0.3846154), wk = 0.0009103 k( 238) = ( 0.0769231 -0.1538462 -0.3076923), wk = 0.0009103 k( 239) = ( 0.0769231 -0.1538462 -0.2307692), wk = 0.0009103 k( 240) = ( 0.0769231 -0.1538462 -0.1538462), wk = 0.0009103 k( 241) = ( 0.0769231 -0.1538462 -0.0769231), wk = 0.0009103 k( 242) = ( 0.0769231 -0.0769231 -0.0000000), wk = 0.0009103 k( 243) = ( 0.0769231 -0.0769231 0.0769231), wk = 0.0009103 k( 244) = ( 0.0769231 -0.0769231 0.1538462), wk = 0.0009103 k( 245) = ( 0.0769231 -0.0769231 0.2307692), wk = 0.0009103 k( 246) = ( 0.0769231 -0.0769231 0.3076923), wk = 0.0009103 k( 247) = ( 0.0769231 -0.0769231 0.3846154), wk = 0.0009103 k( 248) = ( 0.0769231 -0.0769231 0.4615385), wk = 0.0009103 k( 249) = ( 0.0769231 -0.0769231 -0.4615385), wk = 0.0009103 k( 250) = ( 0.0769231 -0.0769231 -0.3846154), wk = 0.0009103 k( 251) = ( 0.0769231 -0.0769231 -0.3076923), wk = 0.0009103 k( 252) = ( 0.0769231 -0.0769231 -0.2307692), wk = 0.0009103 k( 253) = ( 0.0769231 -0.0769231 -0.1538462), wk = 0.0009103 k( 254) = ( 0.0769231 -0.0769231 -0.0769231), wk = 0.0009103 k( 255) = ( 0.1538462 -0.0000000 0.0000000), wk = 0.0009103 k( 256) = ( 0.1538462 -0.0000000 0.0769231), wk = 0.0009103 k( 257) = ( 0.1538462 -0.0000000 0.1538462), wk = 0.0009103 k( 258) = ( 0.1538462 -0.0000000 0.2307692), wk = 0.0009103 k( 259) = ( 0.1538462 -0.0000000 0.3076923), wk = 0.0009103 k( 260) = ( 0.1538462 -0.0000000 0.3846154), wk = 0.0009103 k( 261) = ( 0.1538462 -0.0000000 0.4615385), wk = 0.0009103 k( 262) = ( 0.1538462 -0.0000000 -0.4615385), wk = 0.0009103 k( 263) = ( 0.1538462 -0.0000000 -0.3846154), wk = 0.0009103 k( 264) = ( 0.1538462 -0.0000000 -0.3076923), wk = 0.0009103 k( 265) = ( 0.1538462 -0.0000000 -0.2307692), wk = 0.0009103 k( 266) = ( 0.1538462 -0.0000000 -0.1538462), wk = 0.0009103 k( 267) = ( 0.1538462 -0.0000000 -0.0769231), wk = 0.0009103 k( 268) = ( 0.1538462 0.0769231 0.0000000), wk = 0.0009103 k( 269) = ( 0.1538462 0.0769231 0.0769231), wk = 0.0009103 k( 270) = ( 0.1538462 0.0769231 0.1538462), wk = 0.0009103 k( 271) = ( 0.1538462 0.0769231 0.2307692), wk = 0.0009103 k( 272) = ( 0.1538462 0.0769231 0.3076923), wk = 0.0009103 k( 273) = ( 0.1538462 0.0769231 0.3846154), wk = 0.0009103 k( 274) = ( 0.1538462 0.0769231 0.4615385), wk = 0.0009103 k( 275) = ( 0.1538462 0.0769231 -0.4615385), wk = 0.0009103 k( 276) = ( 0.1538462 0.0769231 -0.3846154), wk = 0.0009103 k( 277) = ( 0.1538462 0.0769231 -0.3076923), wk = 0.0009103 k( 278) = ( 0.1538462 0.0769231 -0.2307692), wk = 0.0009103 k( 279) = ( 0.1538462 0.0769231 -0.1538462), wk = 0.0009103 k( 280) = ( 0.1538462 0.0769231 -0.0769231), wk = 0.0009103 k( 281) = ( 0.1538462 0.1538462 0.0000000), wk = 0.0009103 k( 282) = ( 0.1538462 0.1538462 0.0769231), wk = 0.0009103 k( 283) = ( 0.1538462 0.1538462 0.1538462), wk = 0.0009103 k( 284) = ( 0.1538462 0.1538462 0.2307692), wk = 0.0009103 k( 285) = ( 0.1538462 0.1538462 0.3076923), wk = 0.0009103 k( 286) = ( 0.1538462 0.1538462 0.3846154), wk = 0.0009103 k( 287) = ( 0.1538462 0.1538462 0.4615385), wk = 0.0009103 k( 288) = ( 0.1538462 0.1538462 -0.4615385), wk = 0.0009103 k( 289) = ( 0.1538462 0.1538462 -0.3846154), wk = 0.0009103 k( 290) = ( 0.1538462 0.1538462 -0.3076923), wk = 0.0009103 k( 291) = ( 0.1538462 0.1538462 -0.2307692), wk = 0.0009103 k( 292) = ( 0.1538462 0.1538462 -0.1538462), wk = 0.0009103 k( 293) = ( 0.1538462 0.1538462 -0.0769231), wk = 0.0009103 k( 294) = ( 0.1538462 0.2307692 0.0000000), wk = 0.0009103 k( 295) = ( 0.1538462 0.2307692 0.0769231), wk = 0.0009103 k( 296) = ( 0.1538462 0.2307692 0.1538462), wk = 0.0009103 k( 297) = ( 0.1538462 0.2307692 0.2307692), wk = 0.0009103 k( 298) = ( 0.1538462 0.2307692 0.3076923), wk = 0.0009103 k( 299) = ( 0.1538462 0.2307692 0.3846154), wk = 0.0009103 k( 300) = ( 0.1538462 0.2307692 0.4615385), wk = 0.0009103 k( 301) = ( 0.1538462 0.2307692 -0.4615385), wk = 0.0009103 k( 302) = ( 0.1538462 0.2307692 -0.3846154), wk = 0.0009103 k( 303) = ( 0.1538462 0.2307692 -0.3076923), wk = 0.0009103 k( 304) = ( 0.1538462 0.2307692 -0.2307692), wk = 0.0009103 k( 305) = ( 0.1538462 0.2307692 -0.1538462), wk = 0.0009103 k( 306) = ( 0.1538462 0.2307692 -0.0769231), wk = 0.0009103 k( 307) = ( 0.1538462 0.3076923 0.0000000), wk = 0.0009103 k( 308) = ( 0.1538462 0.3076923 0.0769231), wk = 0.0009103 k( 309) = ( 0.1538462 0.3076923 0.1538462), wk = 0.0009103 k( 310) = ( 0.1538462 0.3076923 0.2307692), wk = 0.0009103 k( 311) = ( 0.1538462 0.3076923 0.3076923), wk = 0.0009103 k( 312) = ( 0.1538462 0.3076923 0.3846154), wk = 0.0009103 k( 313) = ( 0.1538462 0.3076923 0.4615385), wk = 0.0009103 k( 314) = ( 0.1538462 0.3076923 -0.4615385), wk = 0.0009103 k( 315) = ( 0.1538462 0.3076923 -0.3846154), wk = 0.0009103 k( 316) = ( 0.1538462 0.3076923 -0.3076923), wk = 0.0009103 k( 317) = ( 0.1538462 0.3076923 -0.2307692), wk = 0.0009103 k( 318) = ( 0.1538462 0.3076923 -0.1538462), wk = 0.0009103 k( 319) = ( 0.1538462 0.3076923 -0.0769231), wk = 0.0009103 k( 320) = ( 0.1538462 0.3846154 0.0000000), wk = 0.0009103 k( 321) = ( 0.1538462 0.3846154 0.0769231), wk = 0.0009103 k( 322) = ( 0.1538462 0.3846154 0.1538462), wk = 0.0009103 k( 323) = ( 0.1538462 0.3846154 0.2307692), wk = 0.0009103 k( 324) = ( 0.1538462 0.3846154 0.3076923), wk = 0.0009103 k( 325) = ( 0.1538462 0.3846154 0.3846154), wk = 0.0009103 k( 326) = ( 0.1538462 0.3846154 0.4615385), wk = 0.0009103 k( 327) = ( 0.1538462 0.3846154 -0.4615385), wk = 0.0009103 k( 328) = ( 0.1538462 0.3846154 -0.3846154), wk = 0.0009103 k( 329) = ( 0.1538462 0.3846154 -0.3076923), wk = 0.0009103 k( 330) = ( 0.1538462 0.3846154 -0.2307692), wk = 0.0009103 k( 331) = ( 0.1538462 0.3846154 -0.1538462), wk = 0.0009103 k( 332) = ( 0.1538462 0.3846154 -0.0769231), wk = 0.0009103 k( 333) = ( 0.1538462 0.4615385 0.0000000), wk = 0.0009103 k( 334) = ( 0.1538462 0.4615385 0.0769231), wk = 0.0009103 k( 335) = ( 0.1538462 0.4615385 0.1538462), wk = 0.0009103 k( 336) = ( 0.1538462 0.4615385 0.2307692), wk = 0.0009103 k( 337) = ( 0.1538462 0.4615385 0.3076923), wk = 0.0009103 k( 338) = ( 0.1538462 0.4615385 0.3846154), wk = 0.0009103 k( 339) = ( 0.1538462 0.4615385 0.4615385), wk = 0.0009103 k( 340) = ( 0.1538462 0.4615385 -0.4615385), wk = 0.0009103 k( 341) = ( 0.1538462 0.4615385 -0.3846154), wk = 0.0009103 k( 342) = ( 0.1538462 0.4615385 -0.3076923), wk = 0.0009103 k( 343) = ( 0.1538462 0.4615385 -0.2307692), wk = 0.0009103 k( 344) = ( 0.1538462 0.4615385 -0.1538462), wk = 0.0009103 k( 345) = ( 0.1538462 0.4615385 -0.0769231), wk = 0.0009103 k( 346) = ( 0.1538462 -0.4615385 -0.0000000), wk = 0.0009103 k( 347) = ( 0.1538462 -0.4615385 0.0769231), wk = 0.0009103 k( 348) = ( 0.1538462 -0.4615385 0.1538462), wk = 0.0009103 k( 349) = ( 0.1538462 -0.4615385 0.2307692), wk = 0.0009103 k( 350) = ( 0.1538462 -0.4615385 0.3076923), wk = 0.0009103 k( 351) = ( 0.1538462 -0.4615385 0.3846154), wk = 0.0009103 k( 352) = ( 0.1538462 -0.4615385 0.4615385), wk = 0.0009103 k( 353) = ( 0.1538462 -0.4615385 -0.4615385), wk = 0.0009103 k( 354) = ( 0.1538462 -0.4615385 -0.3846154), wk = 0.0009103 k( 355) = ( 0.1538462 -0.4615385 -0.3076923), wk = 0.0009103 k( 356) = ( 0.1538462 -0.4615385 -0.2307692), wk = 0.0009103 k( 357) = ( 0.1538462 -0.4615385 -0.1538462), wk = 0.0009103 k( 358) = ( 0.1538462 -0.4615385 -0.0769231), wk = 0.0009103 k( 359) = ( 0.1538462 -0.3846154 0.0000000), wk = 0.0009103 k( 360) = ( 0.1538462 -0.3846154 0.0769231), wk = 0.0009103 k( 361) = ( 0.1538462 -0.3846154 0.1538462), wk = 0.0009103 k( 362) = ( 0.1538462 -0.3846154 0.2307692), wk = 0.0009103 k( 363) = ( 0.1538462 -0.3846154 0.3076923), wk = 0.0009103 k( 364) = ( 0.1538462 -0.3846154 0.3846154), wk = 0.0009103 k( 365) = ( 0.1538462 -0.3846154 0.4615385), wk = 0.0009103 k( 366) = ( 0.1538462 -0.3846154 -0.4615385), wk = 0.0009103 k( 367) = ( 0.1538462 -0.3846154 -0.3846154), wk = 0.0009103 k( 368) = ( 0.1538462 -0.3846154 -0.3076923), wk = 0.0009103 k( 369) = ( 0.1538462 -0.3846154 -0.2307692), wk = 0.0009103 k( 370) = ( 0.1538462 -0.3846154 -0.1538462), wk = 0.0009103 k( 371) = ( 0.1538462 -0.3846154 -0.0769231), wk = 0.0009103 k( 372) = ( 0.1538462 -0.3076923 -0.0000000), wk = 0.0009103 k( 373) = ( 0.1538462 -0.3076923 0.0769231), wk = 0.0009103 k( 374) = ( 0.1538462 -0.3076923 0.1538462), wk = 0.0009103 k( 375) = ( 0.1538462 -0.3076923 0.2307692), wk = 0.0009103 k( 376) = ( 0.1538462 -0.3076923 0.3076923), wk = 0.0009103 k( 377) = ( 0.1538462 -0.3076923 0.3846154), wk = 0.0009103 k( 378) = ( 0.1538462 -0.3076923 0.4615385), wk = 0.0009103 k( 379) = ( 0.1538462 -0.3076923 -0.4615385), wk = 0.0009103 k( 380) = ( 0.1538462 -0.3076923 -0.3846154), wk = 0.0009103 k( 381) = ( 0.1538462 -0.3076923 -0.3076923), wk = 0.0009103 k( 382) = ( 0.1538462 -0.3076923 -0.2307692), wk = 0.0009103 k( 383) = ( 0.1538462 -0.3076923 -0.1538462), wk = 0.0009103 k( 384) = ( 0.1538462 -0.3076923 -0.0769231), wk = 0.0009103 k( 385) = ( 0.1538462 -0.2307692 0.0000000), wk = 0.0009103 k( 386) = ( 0.1538462 -0.2307692 0.0769231), wk = 0.0009103 k( 387) = ( 0.1538462 -0.2307692 0.1538462), wk = 0.0009103 k( 388) = ( 0.1538462 -0.2307692 0.2307692), wk = 0.0009103 k( 389) = ( 0.1538462 -0.2307692 0.3076923), wk = 0.0009103 k( 390) = ( 0.1538462 -0.2307692 0.3846154), wk = 0.0009103 k( 391) = ( 0.1538462 -0.2307692 0.4615385), wk = 0.0009103 k( 392) = ( 0.1538462 -0.2307692 -0.4615385), wk = 0.0009103 k( 393) = ( 0.1538462 -0.2307692 -0.3846154), wk = 0.0009103 k( 394) = ( 0.1538462 -0.2307692 -0.3076923), wk = 0.0009103 k( 395) = ( 0.1538462 -0.2307692 -0.2307692), wk = 0.0009103 k( 396) = ( 0.1538462 -0.2307692 -0.1538462), wk = 0.0009103 k( 397) = ( 0.1538462 -0.2307692 -0.0769231), wk = 0.0009103 k( 398) = ( 0.1538462 -0.1538462 -0.0000000), wk = 0.0009103 k( 399) = ( 0.1538462 -0.1538462 0.0769231), wk = 0.0009103 k( 400) = ( 0.1538462 -0.1538462 0.1538462), wk = 0.0009103 k( 401) = ( 0.1538462 -0.1538462 0.2307692), wk = 0.0009103 k( 402) = ( 0.1538462 -0.1538462 0.3076923), wk = 0.0009103 k( 403) = ( 0.1538462 -0.1538462 0.3846154), wk = 0.0009103 k( 404) = ( 0.1538462 -0.1538462 0.4615385), wk = 0.0009103 k( 405) = ( 0.1538462 -0.1538462 -0.4615385), wk = 0.0009103 k( 406) = ( 0.1538462 -0.1538462 -0.3846154), wk = 0.0009103 k( 407) = ( 0.1538462 -0.1538462 -0.3076923), wk = 0.0009103 k( 408) = ( 0.1538462 -0.1538462 -0.2307692), wk = 0.0009103 k( 409) = ( 0.1538462 -0.1538462 -0.1538462), wk = 0.0009103 k( 410) = ( 0.1538462 -0.1538462 -0.0769231), wk = 0.0009103 k( 411) = ( 0.1538462 -0.0769231 0.0000000), wk = 0.0009103 k( 412) = ( 0.1538462 -0.0769231 0.0769231), wk = 0.0009103 k( 413) = ( 0.1538462 -0.0769231 0.1538462), wk = 0.0009103 k( 414) = ( 0.1538462 -0.0769231 0.2307692), wk = 0.0009103 k( 415) = ( 0.1538462 -0.0769231 0.3076923), wk = 0.0009103 k( 416) = ( 0.1538462 -0.0769231 0.3846154), wk = 0.0009103 k( 417) = ( 0.1538462 -0.0769231 0.4615385), wk = 0.0009103 k( 418) = ( 0.1538462 -0.0769231 -0.4615385), wk = 0.0009103 k( 419) = ( 0.1538462 -0.0769231 -0.3846154), wk = 0.0009103 k( 420) = ( 0.1538462 -0.0769231 -0.3076923), wk = 0.0009103 k( 421) = ( 0.1538462 -0.0769231 -0.2307692), wk = 0.0009103 k( 422) = ( 0.1538462 -0.0769231 -0.1538462), wk = 0.0009103 k( 423) = ( 0.1538462 -0.0769231 -0.0769231), wk = 0.0009103 k( 424) = ( 0.2307692 -0.0000000 0.0000000), wk = 0.0009103 k( 425) = ( 0.2307692 -0.0000000 0.0769231), wk = 0.0009103 k( 426) = ( 0.2307692 -0.0000000 0.1538462), wk = 0.0009103 k( 427) = ( 0.2307692 -0.0000000 0.2307692), wk = 0.0009103 k( 428) = ( 0.2307692 -0.0000000 0.3076923), wk = 0.0009103 k( 429) = ( 0.2307692 -0.0000000 0.3846154), wk = 0.0009103 k( 430) = ( 0.2307692 -0.0000000 0.4615385), wk = 0.0009103 k( 431) = ( 0.2307692 -0.0000000 -0.4615385), wk = 0.0009103 k( 432) = ( 0.2307692 -0.0000000 -0.3846154), wk = 0.0009103 k( 433) = ( 0.2307692 -0.0000000 -0.3076923), wk = 0.0009103 k( 434) = ( 0.2307692 -0.0000000 -0.2307692), wk = 0.0009103 k( 435) = ( 0.2307692 -0.0000000 -0.1538462), wk = 0.0009103 k( 436) = ( 0.2307692 -0.0000000 -0.0769231), wk = 0.0009103 k( 437) = ( 0.2307692 0.0769231 0.0000000), wk = 0.0009103 k( 438) = ( 0.2307692 0.0769231 0.0769231), wk = 0.0009103 k( 439) = ( 0.2307692 0.0769231 0.1538462), wk = 0.0009103 k( 440) = ( 0.2307692 0.0769231 0.2307692), wk = 0.0009103 k( 441) = ( 0.2307692 0.0769231 0.3076923), wk = 0.0009103 k( 442) = ( 0.2307692 0.0769231 0.3846154), wk = 0.0009103 k( 443) = ( 0.2307692 0.0769231 0.4615385), wk = 0.0009103 k( 444) = ( 0.2307692 0.0769231 -0.4615385), wk = 0.0009103 k( 445) = ( 0.2307692 0.0769231 -0.3846154), wk = 0.0009103 k( 446) = ( 0.2307692 0.0769231 -0.3076923), wk = 0.0009103 k( 447) = ( 0.2307692 0.0769231 -0.2307692), wk = 0.0009103 k( 448) = ( 0.2307692 0.0769231 -0.1538462), wk = 0.0009103 k( 449) = ( 0.2307692 0.0769231 -0.0769231), wk = 0.0009103 k( 450) = ( 0.2307692 0.1538462 0.0000000), wk = 0.0009103 k( 451) = ( 0.2307692 0.1538462 0.0769231), wk = 0.0009103 k( 452) = ( 0.2307692 0.1538462 0.1538462), wk = 0.0009103 k( 453) = ( 0.2307692 0.1538462 0.2307692), wk = 0.0009103 k( 454) = ( 0.2307692 0.1538462 0.3076923), wk = 0.0009103 k( 455) = ( 0.2307692 0.1538462 0.3846154), wk = 0.0009103 k( 456) = ( 0.2307692 0.1538462 0.4615385), wk = 0.0009103 k( 457) = ( 0.2307692 0.1538462 -0.4615385), wk = 0.0009103 k( 458) = ( 0.2307692 0.1538462 -0.3846154), wk = 0.0009103 k( 459) = ( 0.2307692 0.1538462 -0.3076923), wk = 0.0009103 k( 460) = ( 0.2307692 0.1538462 -0.2307692), wk = 0.0009103 k( 461) = ( 0.2307692 0.1538462 -0.1538462), wk = 0.0009103 k( 462) = ( 0.2307692 0.1538462 -0.0769231), wk = 0.0009103 k( 463) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0009103 k( 464) = ( 0.2307692 0.2307692 0.0769231), wk = 0.0009103 k( 465) = ( 0.2307692 0.2307692 0.1538462), wk = 0.0009103 k( 466) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0009103 k( 467) = ( 0.2307692 0.2307692 0.3076923), wk = 0.0009103 k( 468) = ( 0.2307692 0.2307692 0.3846154), wk = 0.0009103 k( 469) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0009103 k( 470) = ( 0.2307692 0.2307692 -0.4615385), wk = 0.0009103 k( 471) = ( 0.2307692 0.2307692 -0.3846154), wk = 0.0009103 k( 472) = ( 0.2307692 0.2307692 -0.3076923), wk = 0.0009103 k( 473) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0009103 k( 474) = ( 0.2307692 0.2307692 -0.1538462), wk = 0.0009103 k( 475) = ( 0.2307692 0.2307692 -0.0769231), wk = 0.0009103 k( 476) = ( 0.2307692 0.3076923 0.0000000), wk = 0.0009103 k( 477) = ( 0.2307692 0.3076923 0.0769231), wk = 0.0009103 k( 478) = ( 0.2307692 0.3076923 0.1538462), wk = 0.0009103 k( 479) = ( 0.2307692 0.3076923 0.2307692), wk = 0.0009103 k( 480) = ( 0.2307692 0.3076923 0.3076923), wk = 0.0009103 k( 481) = ( 0.2307692 0.3076923 0.3846154), wk = 0.0009103 k( 482) = ( 0.2307692 0.3076923 0.4615385), wk = 0.0009103 k( 483) = ( 0.2307692 0.3076923 -0.4615385), wk = 0.0009103 k( 484) = ( 0.2307692 0.3076923 -0.3846154), wk = 0.0009103 k( 485) = ( 0.2307692 0.3076923 -0.3076923), wk = 0.0009103 k( 486) = ( 0.2307692 0.3076923 -0.2307692), wk = 0.0009103 k( 487) = ( 0.2307692 0.3076923 -0.1538462), wk = 0.0009103 k( 488) = ( 0.2307692 0.3076923 -0.0769231), wk = 0.0009103 k( 489) = ( 0.2307692 0.3846154 0.0000000), wk = 0.0009103 k( 490) = ( 0.2307692 0.3846154 0.0769231), wk = 0.0009103 k( 491) = ( 0.2307692 0.3846154 0.1538462), wk = 0.0009103 k( 492) = ( 0.2307692 0.3846154 0.2307692), wk = 0.0009103 k( 493) = ( 0.2307692 0.3846154 0.3076923), wk = 0.0009103 k( 494) = ( 0.2307692 0.3846154 0.3846154), wk = 0.0009103 k( 495) = ( 0.2307692 0.3846154 0.4615385), wk = 0.0009103 k( 496) = ( 0.2307692 0.3846154 -0.4615385), wk = 0.0009103 k( 497) = ( 0.2307692 0.3846154 -0.3846154), wk = 0.0009103 k( 498) = ( 0.2307692 0.3846154 -0.3076923), wk = 0.0009103 k( 499) = ( 0.2307692 0.3846154 -0.2307692), wk = 0.0009103 k( 500) = ( 0.2307692 0.3846154 -0.1538462), wk = 0.0009103 k( 501) = ( 0.2307692 0.3846154 -0.0769231), wk = 0.0009103 k( 502) = ( 0.2307692 0.4615385 0.0000000), wk = 0.0009103 k( 503) = ( 0.2307692 0.4615385 0.0769231), wk = 0.0009103 k( 504) = ( 0.2307692 0.4615385 0.1538462), wk = 0.0009103 k( 505) = ( 0.2307692 0.4615385 0.2307692), wk = 0.0009103 k( 506) = ( 0.2307692 0.4615385 0.3076923), wk = 0.0009103 k( 507) = ( 0.2307692 0.4615385 0.3846154), wk = 0.0009103 k( 508) = ( 0.2307692 0.4615385 0.4615385), wk = 0.0009103 k( 509) = ( 0.2307692 0.4615385 -0.4615385), wk = 0.0009103 k( 510) = ( 0.2307692 0.4615385 -0.3846154), wk = 0.0009103 k( 511) = ( 0.2307692 0.4615385 -0.3076923), wk = 0.0009103 k( 512) = ( 0.2307692 0.4615385 -0.2307692), wk = 0.0009103 k( 513) = ( 0.2307692 0.4615385 -0.1538462), wk = 0.0009103 k( 514) = ( 0.2307692 0.4615385 -0.0769231), wk = 0.0009103 k( 515) = ( 0.2307692 -0.4615385 -0.0000000), wk = 0.0009103 k( 516) = ( 0.2307692 -0.4615385 0.0769231), wk = 0.0009103 k( 517) = ( 0.2307692 -0.4615385 0.1538462), wk = 0.0009103 k( 518) = ( 0.2307692 -0.4615385 0.2307692), wk = 0.0009103 k( 519) = ( 0.2307692 -0.4615385 0.3076923), wk = 0.0009103 k( 520) = ( 0.2307692 -0.4615385 0.3846154), wk = 0.0009103 k( 521) = ( 0.2307692 -0.4615385 0.4615385), wk = 0.0009103 k( 522) = ( 0.2307692 -0.4615385 -0.4615385), wk = 0.0009103 k( 523) = ( 0.2307692 -0.4615385 -0.3846154), wk = 0.0009103 k( 524) = ( 0.2307692 -0.4615385 -0.3076923), wk = 0.0009103 k( 525) = ( 0.2307692 -0.4615385 -0.2307692), wk = 0.0009103 k( 526) = ( 0.2307692 -0.4615385 -0.1538462), wk = 0.0009103 k( 527) = ( 0.2307692 -0.4615385 -0.0769231), wk = 0.0009103 k( 528) = ( 0.2307692 -0.3846154 -0.0000000), wk = 0.0009103 k( 529) = ( 0.2307692 -0.3846154 0.0769231), wk = 0.0009103 k( 530) = ( 0.2307692 -0.3846154 0.1538462), wk = 0.0009103 k( 531) = ( 0.2307692 -0.3846154 0.2307692), wk = 0.0009103 k( 532) = ( 0.2307692 -0.3846154 0.3076923), wk = 0.0009103 k( 533) = ( 0.2307692 -0.3846154 0.3846154), wk = 0.0009103 k( 534) = ( 0.2307692 -0.3846154 0.4615385), wk = 0.0009103 k( 535) = ( 0.2307692 -0.3846154 -0.4615385), wk = 0.0009103 k( 536) = ( 0.2307692 -0.3846154 -0.3846154), wk = 0.0009103 k( 537) = ( 0.2307692 -0.3846154 -0.3076923), wk = 0.0009103 k( 538) = ( 0.2307692 -0.3846154 -0.2307692), wk = 0.0009103 k( 539) = ( 0.2307692 -0.3846154 -0.1538462), wk = 0.0009103 k( 540) = ( 0.2307692 -0.3846154 -0.0769231), wk = 0.0009103 k( 541) = ( 0.2307692 -0.3076923 -0.0000000), wk = 0.0009103 k( 542) = ( 0.2307692 -0.3076923 0.0769231), wk = 0.0009103 k( 543) = ( 0.2307692 -0.3076923 0.1538462), wk = 0.0009103 k( 544) = ( 0.2307692 -0.3076923 0.2307692), wk = 0.0009103 k( 545) = ( 0.2307692 -0.3076923 0.3076923), wk = 0.0009103 k( 546) = ( 0.2307692 -0.3076923 0.3846154), wk = 0.0009103 k( 547) = ( 0.2307692 -0.3076923 0.4615385), wk = 0.0009103 k( 548) = ( 0.2307692 -0.3076923 -0.4615385), wk = 0.0009103 k( 549) = ( 0.2307692 -0.3076923 -0.3846154), wk = 0.0009103 k( 550) = ( 0.2307692 -0.3076923 -0.3076923), wk = 0.0009103 k( 551) = ( 0.2307692 -0.3076923 -0.2307692), wk = 0.0009103 k( 552) = ( 0.2307692 -0.3076923 -0.1538462), wk = 0.0009103 k( 553) = ( 0.2307692 -0.3076923 -0.0769231), wk = 0.0009103 k( 554) = ( 0.2307692 -0.2307692 -0.0000000), wk = 0.0009103 k( 555) = ( 0.2307692 -0.2307692 0.0769231), wk = 0.0009103 k( 556) = ( 0.2307692 -0.2307692 0.1538462), wk = 0.0009103 k( 557) = ( 0.2307692 -0.2307692 0.2307692), wk = 0.0009103 k( 558) = ( 0.2307692 -0.2307692 0.3076923), wk = 0.0009103 k( 559) = ( 0.2307692 -0.2307692 0.3846154), wk = 0.0009103 k( 560) = ( 0.2307692 -0.2307692 0.4615385), wk = 0.0009103 k( 561) = ( 0.2307692 -0.2307692 -0.4615385), wk = 0.0009103 k( 562) = ( 0.2307692 -0.2307692 -0.3846154), wk = 0.0009103 k( 563) = ( 0.2307692 -0.2307692 -0.3076923), wk = 0.0009103 k( 564) = ( 0.2307692 -0.2307692 -0.2307692), wk = 0.0009103 k( 565) = ( 0.2307692 -0.2307692 -0.1538462), wk = 0.0009103 k( 566) = ( 0.2307692 -0.2307692 -0.0769231), wk = 0.0009103 k( 567) = ( 0.2307692 -0.1538462 -0.0000000), wk = 0.0009103 k( 568) = ( 0.2307692 -0.1538462 0.0769231), wk = 0.0009103 k( 569) = ( 0.2307692 -0.1538462 0.1538462), wk = 0.0009103 k( 570) = ( 0.2307692 -0.1538462 0.2307692), wk = 0.0009103 k( 571) = ( 0.2307692 -0.1538462 0.3076923), wk = 0.0009103 k( 572) = ( 0.2307692 -0.1538462 0.3846154), wk = 0.0009103 k( 573) = ( 0.2307692 -0.1538462 0.4615385), wk = 0.0009103 k( 574) = ( 0.2307692 -0.1538462 -0.4615385), wk = 0.0009103 k( 575) = ( 0.2307692 -0.1538462 -0.3846154), wk = 0.0009103 k( 576) = ( 0.2307692 -0.1538462 -0.3076923), wk = 0.0009103 k( 577) = ( 0.2307692 -0.1538462 -0.2307692), wk = 0.0009103 k( 578) = ( 0.2307692 -0.1538462 -0.1538462), wk = 0.0009103 k( 579) = ( 0.2307692 -0.1538462 -0.0769231), wk = 0.0009103 k( 580) = ( 0.2307692 -0.0769231 0.0000000), wk = 0.0009103 k( 581) = ( 0.2307692 -0.0769231 0.0769231), wk = 0.0009103 k( 582) = ( 0.2307692 -0.0769231 0.1538462), wk = 0.0009103 k( 583) = ( 0.2307692 -0.0769231 0.2307692), wk = 0.0009103 k( 584) = ( 0.2307692 -0.0769231 0.3076923), wk = 0.0009103 k( 585) = ( 0.2307692 -0.0769231 0.3846154), wk = 0.0009103 k( 586) = ( 0.2307692 -0.0769231 0.4615385), wk = 0.0009103 k( 587) = ( 0.2307692 -0.0769231 -0.4615385), wk = 0.0009103 k( 588) = ( 0.2307692 -0.0769231 -0.3846154), wk = 0.0009103 k( 589) = ( 0.2307692 -0.0769231 -0.3076923), wk = 0.0009103 k( 590) = ( 0.2307692 -0.0769231 -0.2307692), wk = 0.0009103 k( 591) = ( 0.2307692 -0.0769231 -0.1538462), wk = 0.0009103 k( 592) = ( 0.2307692 -0.0769231 -0.0769231), wk = 0.0009103 k( 593) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0009103 k( 594) = ( 0.3076923 -0.0000000 0.0769231), wk = 0.0009103 k( 595) = ( 0.3076923 -0.0000000 0.1538462), wk = 0.0009103 k( 596) = ( 0.3076923 -0.0000000 0.2307692), wk = 0.0009103 k( 597) = ( 0.3076923 -0.0000000 0.3076923), wk = 0.0009103 k( 598) = ( 0.3076923 -0.0000000 0.3846154), wk = 0.0009103 k( 599) = ( 0.3076923 -0.0000000 0.4615385), wk = 0.0009103 k( 600) = ( 0.3076923 -0.0000000 -0.4615385), wk = 0.0009103 k( 601) = ( 0.3076923 -0.0000000 -0.3846154), wk = 0.0009103 k( 602) = ( 0.3076923 -0.0000000 -0.3076923), wk = 0.0009103 k( 603) = ( 0.3076923 -0.0000000 -0.2307692), wk = 0.0009103 k( 604) = ( 0.3076923 -0.0000000 -0.1538462), wk = 0.0009103 k( 605) = ( 0.3076923 -0.0000000 -0.0769231), wk = 0.0009103 k( 606) = ( 0.3076923 0.0769231 0.0000000), wk = 0.0009103 k( 607) = ( 0.3076923 0.0769231 0.0769231), wk = 0.0009103 k( 608) = ( 0.3076923 0.0769231 0.1538462), wk = 0.0009103 k( 609) = ( 0.3076923 0.0769231 0.2307692), wk = 0.0009103 k( 610) = ( 0.3076923 0.0769231 0.3076923), wk = 0.0009103 k( 611) = ( 0.3076923 0.0769231 0.3846154), wk = 0.0009103 k( 612) = ( 0.3076923 0.0769231 0.4615385), wk = 0.0009103 k( 613) = ( 0.3076923 0.0769231 -0.4615385), wk = 0.0009103 k( 614) = ( 0.3076923 0.0769231 -0.3846154), wk = 0.0009103 k( 615) = ( 0.3076923 0.0769231 -0.3076923), wk = 0.0009103 k( 616) = ( 0.3076923 0.0769231 -0.2307692), wk = 0.0009103 k( 617) = ( 0.3076923 0.0769231 -0.1538462), wk = 0.0009103 k( 618) = ( 0.3076923 0.0769231 -0.0769231), wk = 0.0009103 k( 619) = ( 0.3076923 0.1538462 0.0000000), wk = 0.0009103 k( 620) = ( 0.3076923 0.1538462 0.0769231), wk = 0.0009103 k( 621) = ( 0.3076923 0.1538462 0.1538462), wk = 0.0009103 k( 622) = ( 0.3076923 0.1538462 0.2307692), wk = 0.0009103 k( 623) = ( 0.3076923 0.1538462 0.3076923), wk = 0.0009103 k( 624) = ( 0.3076923 0.1538462 0.3846154), wk = 0.0009103 k( 625) = ( 0.3076923 0.1538462 0.4615385), wk = 0.0009103 k( 626) = ( 0.3076923 0.1538462 -0.4615385), wk = 0.0009103 k( 627) = ( 0.3076923 0.1538462 -0.3846154), wk = 0.0009103 k( 628) = ( 0.3076923 0.1538462 -0.3076923), wk = 0.0009103 k( 629) = ( 0.3076923 0.1538462 -0.2307692), wk = 0.0009103 k( 630) = ( 0.3076923 0.1538462 -0.1538462), wk = 0.0009103 k( 631) = ( 0.3076923 0.1538462 -0.0769231), wk = 0.0009103 k( 632) = ( 0.3076923 0.2307692 0.0000000), wk = 0.0009103 k( 633) = ( 0.3076923 0.2307692 0.0769231), wk = 0.0009103 k( 634) = ( 0.3076923 0.2307692 0.1538462), wk = 0.0009103 k( 635) = ( 0.3076923 0.2307692 0.2307692), wk = 0.0009103 k( 636) = ( 0.3076923 0.2307692 0.3076923), wk = 0.0009103 k( 637) = ( 0.3076923 0.2307692 0.3846154), wk = 0.0009103 k( 638) = ( 0.3076923 0.2307692 0.4615385), wk = 0.0009103 k( 639) = ( 0.3076923 0.2307692 -0.4615385), wk = 0.0009103 k( 640) = ( 0.3076923 0.2307692 -0.3846154), wk = 0.0009103 k( 641) = ( 0.3076923 0.2307692 -0.3076923), wk = 0.0009103 k( 642) = ( 0.3076923 0.2307692 -0.2307692), wk = 0.0009103 k( 643) = ( 0.3076923 0.2307692 -0.1538462), wk = 0.0009103 k( 644) = ( 0.3076923 0.2307692 -0.0769231), wk = 0.0009103 k( 645) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0009103 k( 646) = ( 0.3076923 0.3076923 0.0769231), wk = 0.0009103 k( 647) = ( 0.3076923 0.3076923 0.1538462), wk = 0.0009103 k( 648) = ( 0.3076923 0.3076923 0.2307692), wk = 0.0009103 k( 649) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0009103 k( 650) = ( 0.3076923 0.3076923 0.3846154), wk = 0.0009103 k( 651) = ( 0.3076923 0.3076923 0.4615385), wk = 0.0009103 k( 652) = ( 0.3076923 0.3076923 -0.4615385), wk = 0.0009103 k( 653) = ( 0.3076923 0.3076923 -0.3846154), wk = 0.0009103 k( 654) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0009103 k( 655) = ( 0.3076923 0.3076923 -0.2307692), wk = 0.0009103 k( 656) = ( 0.3076923 0.3076923 -0.1538462), wk = 0.0009103 k( 657) = ( 0.3076923 0.3076923 -0.0769231), wk = 0.0009103 k( 658) = ( 0.3076923 0.3846154 0.0000000), wk = 0.0009103 k( 659) = ( 0.3076923 0.3846154 0.0769231), wk = 0.0009103 k( 660) = ( 0.3076923 0.3846154 0.1538462), wk = 0.0009103 k( 661) = ( 0.3076923 0.3846154 0.2307692), wk = 0.0009103 k( 662) = ( 0.3076923 0.3846154 0.3076923), wk = 0.0009103 k( 663) = ( 0.3076923 0.3846154 0.3846154), wk = 0.0009103 k( 664) = ( 0.3076923 0.3846154 0.4615385), wk = 0.0009103 k( 665) = ( 0.3076923 0.3846154 -0.4615385), wk = 0.0009103 k( 666) = ( 0.3076923 0.3846154 -0.3846154), wk = 0.0009103 k( 667) = ( 0.3076923 0.3846154 -0.3076923), wk = 0.0009103 k( 668) = ( 0.3076923 0.3846154 -0.2307692), wk = 0.0009103 k( 669) = ( 0.3076923 0.3846154 -0.1538462), wk = 0.0009103 k( 670) = ( 0.3076923 0.3846154 -0.0769231), wk = 0.0009103 k( 671) = ( 0.3076923 0.4615385 0.0000000), wk = 0.0009103 k( 672) = ( 0.3076923 0.4615385 0.0769231), wk = 0.0009103 k( 673) = ( 0.3076923 0.4615385 0.1538462), wk = 0.0009103 k( 674) = ( 0.3076923 0.4615385 0.2307692), wk = 0.0009103 k( 675) = ( 0.3076923 0.4615385 0.3076923), wk = 0.0009103 k( 676) = ( 0.3076923 0.4615385 0.3846154), wk = 0.0009103 k( 677) = ( 0.3076923 0.4615385 0.4615385), wk = 0.0009103 k( 678) = ( 0.3076923 0.4615385 -0.4615385), wk = 0.0009103 k( 679) = ( 0.3076923 0.4615385 -0.3846154), wk = 0.0009103 k( 680) = ( 0.3076923 0.4615385 -0.3076923), wk = 0.0009103 k( 681) = ( 0.3076923 0.4615385 -0.2307692), wk = 0.0009103 k( 682) = ( 0.3076923 0.4615385 -0.1538462), wk = 0.0009103 k( 683) = ( 0.3076923 0.4615385 -0.0769231), wk = 0.0009103 k( 684) = ( 0.3076923 -0.4615385 -0.0000000), wk = 0.0009103 k( 685) = ( 0.3076923 -0.4615385 0.0769231), wk = 0.0009103 k( 686) = ( 0.3076923 -0.4615385 0.1538462), wk = 0.0009103 k( 687) = ( 0.3076923 -0.4615385 0.2307692), wk = 0.0009103 k( 688) = ( 0.3076923 -0.4615385 0.3076923), wk = 0.0009103 k( 689) = ( 0.3076923 -0.4615385 0.3846154), wk = 0.0009103 k( 690) = ( 0.3076923 -0.4615385 0.4615385), wk = 0.0009103 k( 691) = ( 0.3076923 -0.4615385 -0.4615385), wk = 0.0009103 k( 692) = ( 0.3076923 -0.4615385 -0.3846154), wk = 0.0009103 k( 693) = ( 0.3076923 -0.4615385 -0.3076923), wk = 0.0009103 k( 694) = ( 0.3076923 -0.4615385 -0.2307692), wk = 0.0009103 k( 695) = ( 0.3076923 -0.4615385 -0.1538462), wk = 0.0009103 k( 696) = ( 0.3076923 -0.4615385 -0.0769231), wk = 0.0009103 k( 697) = ( 0.3076923 -0.3846154 -0.0000000), wk = 0.0009103 k( 698) = ( 0.3076923 -0.3846154 0.0769231), wk = 0.0009103 k( 699) = ( 0.3076923 -0.3846154 0.1538462), wk = 0.0009103 k( 700) = ( 0.3076923 -0.3846154 0.2307692), wk = 0.0009103 k( 701) = ( 0.3076923 -0.3846154 0.3076923), wk = 0.0009103 k( 702) = ( 0.3076923 -0.3846154 0.3846154), wk = 0.0009103 k( 703) = ( 0.3076923 -0.3846154 0.4615385), wk = 0.0009103 k( 704) = ( 0.3076923 -0.3846154 -0.4615385), wk = 0.0009103 k( 705) = ( 0.3076923 -0.3846154 -0.3846154), wk = 0.0009103 k( 706) = ( 0.3076923 -0.3846154 -0.3076923), wk = 0.0009103 k( 707) = ( 0.3076923 -0.3846154 -0.2307692), wk = 0.0009103 k( 708) = ( 0.3076923 -0.3846154 -0.1538462), wk = 0.0009103 k( 709) = ( 0.3076923 -0.3846154 -0.0769231), wk = 0.0009103 k( 710) = ( 0.3076923 -0.3076923 -0.0000000), wk = 0.0009103 k( 711) = ( 0.3076923 -0.3076923 0.0769231), wk = 0.0009103 k( 712) = ( 0.3076923 -0.3076923 0.1538462), wk = 0.0009103 k( 713) = ( 0.3076923 -0.3076923 0.2307692), wk = 0.0009103 k( 714) = ( 0.3076923 -0.3076923 0.3076923), wk = 0.0009103 k( 715) = ( 0.3076923 -0.3076923 0.3846154), wk = 0.0009103 k( 716) = ( 0.3076923 -0.3076923 0.4615385), wk = 0.0009103 k( 717) = ( 0.3076923 -0.3076923 -0.4615385), wk = 0.0009103 k( 718) = ( 0.3076923 -0.3076923 -0.3846154), wk = 0.0009103 k( 719) = ( 0.3076923 -0.3076923 -0.3076923), wk = 0.0009103 k( 720) = ( 0.3076923 -0.3076923 -0.2307692), wk = 0.0009103 k( 721) = ( 0.3076923 -0.3076923 -0.1538462), wk = 0.0009103 k( 722) = ( 0.3076923 -0.3076923 -0.0769231), wk = 0.0009103 k( 723) = ( 0.3076923 -0.2307692 -0.0000000), wk = 0.0009103 k( 724) = ( 0.3076923 -0.2307692 0.0769231), wk = 0.0009103 k( 725) = ( 0.3076923 -0.2307692 0.1538462), wk = 0.0009103 k( 726) = ( 0.3076923 -0.2307692 0.2307692), wk = 0.0009103 k( 727) = ( 0.3076923 -0.2307692 0.3076923), wk = 0.0009103 k( 728) = ( 0.3076923 -0.2307692 0.3846154), wk = 0.0009103 k( 729) = ( 0.3076923 -0.2307692 0.4615385), wk = 0.0009103 k( 730) = ( 0.3076923 -0.2307692 -0.4615385), wk = 0.0009103 k( 731) = ( 0.3076923 -0.2307692 -0.3846154), wk = 0.0009103 k( 732) = ( 0.3076923 -0.2307692 -0.3076923), wk = 0.0009103 k( 733) = ( 0.3076923 -0.2307692 -0.2307692), wk = 0.0009103 k( 734) = ( 0.3076923 -0.2307692 -0.1538462), wk = 0.0009103 k( 735) = ( 0.3076923 -0.2307692 -0.0769231), wk = 0.0009103 k( 736) = ( 0.3076923 -0.1538462 0.0000000), wk = 0.0009103 k( 737) = ( 0.3076923 -0.1538462 0.0769231), wk = 0.0009103 k( 738) = ( 0.3076923 -0.1538462 0.1538462), wk = 0.0009103 k( 739) = ( 0.3076923 -0.1538462 0.2307692), wk = 0.0009103 k( 740) = ( 0.3076923 -0.1538462 0.3076923), wk = 0.0009103 k( 741) = ( 0.3076923 -0.1538462 0.3846154), wk = 0.0009103 k( 742) = ( 0.3076923 -0.1538462 0.4615385), wk = 0.0009103 k( 743) = ( 0.3076923 -0.1538462 -0.4615385), wk = 0.0009103 k( 744) = ( 0.3076923 -0.1538462 -0.3846154), wk = 0.0009103 k( 745) = ( 0.3076923 -0.1538462 -0.3076923), wk = 0.0009103 k( 746) = ( 0.3076923 -0.1538462 -0.2307692), wk = 0.0009103 k( 747) = ( 0.3076923 -0.1538462 -0.1538462), wk = 0.0009103 k( 748) = ( 0.3076923 -0.1538462 -0.0769231), wk = 0.0009103 k( 749) = ( 0.3076923 -0.0769231 -0.0000000), wk = 0.0009103 k( 750) = ( 0.3076923 -0.0769231 0.0769231), wk = 0.0009103 k( 751) = ( 0.3076923 -0.0769231 0.1538462), wk = 0.0009103 k( 752) = ( 0.3076923 -0.0769231 0.2307692), wk = 0.0009103 k( 753) = ( 0.3076923 -0.0769231 0.3076923), wk = 0.0009103 k( 754) = ( 0.3076923 -0.0769231 0.3846154), wk = 0.0009103 k( 755) = ( 0.3076923 -0.0769231 0.4615385), wk = 0.0009103 k( 756) = ( 0.3076923 -0.0769231 -0.4615385), wk = 0.0009103 k( 757) = ( 0.3076923 -0.0769231 -0.3846154), wk = 0.0009103 k( 758) = ( 0.3076923 -0.0769231 -0.3076923), wk = 0.0009103 k( 759) = ( 0.3076923 -0.0769231 -0.2307692), wk = 0.0009103 k( 760) = ( 0.3076923 -0.0769231 -0.1538462), wk = 0.0009103 k( 761) = ( 0.3076923 -0.0769231 -0.0769231), wk = 0.0009103 k( 762) = ( 0.3846154 -0.0000000 0.0000000), wk = 0.0009103 k( 763) = ( 0.3846154 -0.0000000 0.0769231), wk = 0.0009103 k( 764) = ( 0.3846154 -0.0000000 0.1538462), wk = 0.0009103 k( 765) = ( 0.3846154 -0.0000000 0.2307692), wk = 0.0009103 k( 766) = ( 0.3846154 -0.0000000 0.3076923), wk = 0.0009103 k( 767) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0009103 k( 768) = ( 0.3846154 -0.0000000 0.4615385), wk = 0.0009103 k( 769) = ( 0.3846154 -0.0000000 -0.4615385), wk = 0.0009103 k( 770) = ( 0.3846154 -0.0000000 -0.3846154), wk = 0.0009103 k( 771) = ( 0.3846154 -0.0000000 -0.3076923), wk = 0.0009103 k( 772) = ( 0.3846154 -0.0000000 -0.2307692), wk = 0.0009103 k( 773) = ( 0.3846154 -0.0000000 -0.1538462), wk = 0.0009103 k( 774) = ( 0.3846154 -0.0000000 -0.0769231), wk = 0.0009103 k( 775) = ( 0.3846154 0.0769231 0.0000000), wk = 0.0009103 k( 776) = ( 0.3846154 0.0769231 0.0769231), wk = 0.0009103 k( 777) = ( 0.3846154 0.0769231 0.1538462), wk = 0.0009103 k( 778) = ( 0.3846154 0.0769231 0.2307692), wk = 0.0009103 k( 779) = ( 0.3846154 0.0769231 0.3076923), wk = 0.0009103 k( 780) = ( 0.3846154 0.0769231 0.3846154), wk = 0.0009103 k( 781) = ( 0.3846154 0.0769231 0.4615385), wk = 0.0009103 k( 782) = ( 0.3846154 0.0769231 -0.4615385), wk = 0.0009103 k( 783) = ( 0.3846154 0.0769231 -0.3846154), wk = 0.0009103 k( 784) = ( 0.3846154 0.0769231 -0.3076923), wk = 0.0009103 k( 785) = ( 0.3846154 0.0769231 -0.2307692), wk = 0.0009103 k( 786) = ( 0.3846154 0.0769231 -0.1538462), wk = 0.0009103 k( 787) = ( 0.3846154 0.0769231 -0.0769231), wk = 0.0009103 k( 788) = ( 0.3846154 0.1538462 0.0000000), wk = 0.0009103 k( 789) = ( 0.3846154 0.1538462 0.0769231), wk = 0.0009103 k( 790) = ( 0.3846154 0.1538462 0.1538462), wk = 0.0009103 k( 791) = ( 0.3846154 0.1538462 0.2307692), wk = 0.0009103 k( 792) = ( 0.3846154 0.1538462 0.3076923), wk = 0.0009103 k( 793) = ( 0.3846154 0.1538462 0.3846154), wk = 0.0009103 k( 794) = ( 0.3846154 0.1538462 0.4615385), wk = 0.0009103 k( 795) = ( 0.3846154 0.1538462 -0.4615385), wk = 0.0009103 k( 796) = ( 0.3846154 0.1538462 -0.3846154), wk = 0.0009103 k( 797) = ( 0.3846154 0.1538462 -0.3076923), wk = 0.0009103 k( 798) = ( 0.3846154 0.1538462 -0.2307692), wk = 0.0009103 k( 799) = ( 0.3846154 0.1538462 -0.1538462), wk = 0.0009103 k( 800) = ( 0.3846154 0.1538462 -0.0769231), wk = 0.0009103 k( 801) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0009103 k( 802) = ( 0.3846154 0.2307692 0.0769231), wk = 0.0009103 k( 803) = ( 0.3846154 0.2307692 0.1538462), wk = 0.0009103 k( 804) = ( 0.3846154 0.2307692 0.2307692), wk = 0.0009103 k( 805) = ( 0.3846154 0.2307692 0.3076923), wk = 0.0009103 k( 806) = ( 0.3846154 0.2307692 0.3846154), wk = 0.0009103 k( 807) = ( 0.3846154 0.2307692 0.4615385), wk = 0.0009103 k( 808) = ( 0.3846154 0.2307692 -0.4615385), wk = 0.0009103 k( 809) = ( 0.3846154 0.2307692 -0.3846154), wk = 0.0009103 k( 810) = ( 0.3846154 0.2307692 -0.3076923), wk = 0.0009103 k( 811) = ( 0.3846154 0.2307692 -0.2307692), wk = 0.0009103 k( 812) = ( 0.3846154 0.2307692 -0.1538462), wk = 0.0009103 k( 813) = ( 0.3846154 0.2307692 -0.0769231), wk = 0.0009103 k( 814) = ( 0.3846154 0.3076923 0.0000000), wk = 0.0009103 k( 815) = ( 0.3846154 0.3076923 0.0769231), wk = 0.0009103 k( 816) = ( 0.3846154 0.3076923 0.1538462), wk = 0.0009103 k( 817) = ( 0.3846154 0.3076923 0.2307692), wk = 0.0009103 k( 818) = ( 0.3846154 0.3076923 0.3076923), wk = 0.0009103 k( 819) = ( 0.3846154 0.3076923 0.3846154), wk = 0.0009103 k( 820) = ( 0.3846154 0.3076923 0.4615385), wk = 0.0009103 k( 821) = ( 0.3846154 0.3076923 -0.4615385), wk = 0.0009103 k( 822) = ( 0.3846154 0.3076923 -0.3846154), wk = 0.0009103 k( 823) = ( 0.3846154 0.3076923 -0.3076923), wk = 0.0009103 k( 824) = ( 0.3846154 0.3076923 -0.2307692), wk = 0.0009103 k( 825) = ( 0.3846154 0.3076923 -0.1538462), wk = 0.0009103 k( 826) = ( 0.3846154 0.3076923 -0.0769231), wk = 0.0009103 k( 827) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0009103 k( 828) = ( 0.3846154 0.3846154 0.0769231), wk = 0.0009103 k( 829) = ( 0.3846154 0.3846154 0.1538462), wk = 0.0009103 k( 830) = ( 0.3846154 0.3846154 0.2307692), wk = 0.0009103 k( 831) = ( 0.3846154 0.3846154 0.3076923), wk = 0.0009103 k( 832) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0009103 k( 833) = ( 0.3846154 0.3846154 0.4615385), wk = 0.0009103 k( 834) = ( 0.3846154 0.3846154 -0.4615385), wk = 0.0009103 k( 835) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0009103 k( 836) = ( 0.3846154 0.3846154 -0.3076923), wk = 0.0009103 k( 837) = ( 0.3846154 0.3846154 -0.2307692), wk = 0.0009103 k( 838) = ( 0.3846154 0.3846154 -0.1538462), wk = 0.0009103 k( 839) = ( 0.3846154 0.3846154 -0.0769231), wk = 0.0009103 k( 840) = ( 0.3846154 0.4615385 -0.0000000), wk = 0.0009103 k( 841) = ( 0.3846154 0.4615385 0.0769231), wk = 0.0009103 k( 842) = ( 0.3846154 0.4615385 0.1538462), wk = 0.0009103 k( 843) = ( 0.3846154 0.4615385 0.2307692), wk = 0.0009103 k( 844) = ( 0.3846154 0.4615385 0.3076923), wk = 0.0009103 k( 845) = ( 0.3846154 0.4615385 0.3846154), wk = 0.0009103 k( 846) = ( 0.3846154 0.4615385 0.4615385), wk = 0.0009103 k( 847) = ( 0.3846154 0.4615385 -0.4615385), wk = 0.0009103 k( 848) = ( 0.3846154 0.4615385 -0.3846154), wk = 0.0009103 k( 849) = ( 0.3846154 0.4615385 -0.3076923), wk = 0.0009103 k( 850) = ( 0.3846154 0.4615385 -0.2307692), wk = 0.0009103 k( 851) = ( 0.3846154 0.4615385 -0.1538462), wk = 0.0009103 k( 852) = ( 0.3846154 0.4615385 -0.0769231), wk = 0.0009103 k( 853) = ( 0.3846154 -0.4615385 -0.0000000), wk = 0.0009103 k( 854) = ( 0.3846154 -0.4615385 0.0769231), wk = 0.0009103 k( 855) = ( 0.3846154 -0.4615385 0.1538462), wk = 0.0009103 k( 856) = ( 0.3846154 -0.4615385 0.2307692), wk = 0.0009103 k( 857) = ( 0.3846154 -0.4615385 0.3076923), wk = 0.0009103 k( 858) = ( 0.3846154 -0.4615385 0.3846154), wk = 0.0009103 k( 859) = ( 0.3846154 -0.4615385 0.4615385), wk = 0.0009103 k( 860) = ( 0.3846154 -0.4615385 -0.4615385), wk = 0.0009103 k( 861) = ( 0.3846154 -0.4615385 -0.3846154), wk = 0.0009103 k( 862) = ( 0.3846154 -0.4615385 -0.3076923), wk = 0.0009103 k( 863) = ( 0.3846154 -0.4615385 -0.2307692), wk = 0.0009103 k( 864) = ( 0.3846154 -0.4615385 -0.1538462), wk = 0.0009103 k( 865) = ( 0.3846154 -0.4615385 -0.0769231), wk = 0.0009103 k( 866) = ( 0.3846154 -0.3846154 -0.0000000), wk = 0.0009103 k( 867) = ( 0.3846154 -0.3846154 0.0769231), wk = 0.0009103 k( 868) = ( 0.3846154 -0.3846154 0.1538462), wk = 0.0009103 k( 869) = ( 0.3846154 -0.3846154 0.2307692), wk = 0.0009103 k( 870) = ( 0.3846154 -0.3846154 0.3076923), wk = 0.0009103 k( 871) = ( 0.3846154 -0.3846154 0.3846154), wk = 0.0009103 k( 872) = ( 0.3846154 -0.3846154 0.4615385), wk = 0.0009103 k( 873) = ( 0.3846154 -0.3846154 -0.4615385), wk = 0.0009103 k( 874) = ( 0.3846154 -0.3846154 -0.3846154), wk = 0.0009103 k( 875) = ( 0.3846154 -0.3846154 -0.3076923), wk = 0.0009103 k( 876) = ( 0.3846154 -0.3846154 -0.2307692), wk = 0.0009103 k( 877) = ( 0.3846154 -0.3846154 -0.1538462), wk = 0.0009103 k( 878) = ( 0.3846154 -0.3846154 -0.0769231), wk = 0.0009103 k( 879) = ( 0.3846154 -0.3076923 -0.0000000), wk = 0.0009103 k( 880) = ( 0.3846154 -0.3076923 0.0769231), wk = 0.0009103 k( 881) = ( 0.3846154 -0.3076923 0.1538462), wk = 0.0009103 k( 882) = ( 0.3846154 -0.3076923 0.2307692), wk = 0.0009103 k( 883) = ( 0.3846154 -0.3076923 0.3076923), wk = 0.0009103 k( 884) = ( 0.3846154 -0.3076923 0.3846154), wk = 0.0009103 k( 885) = ( 0.3846154 -0.3076923 0.4615385), wk = 0.0009103 k( 886) = ( 0.3846154 -0.3076923 -0.4615385), wk = 0.0009103 k( 887) = ( 0.3846154 -0.3076923 -0.3846154), wk = 0.0009103 k( 888) = ( 0.3846154 -0.3076923 -0.3076923), wk = 0.0009103 k( 889) = ( 0.3846154 -0.3076923 -0.2307692), wk = 0.0009103 k( 890) = ( 0.3846154 -0.3076923 -0.1538462), wk = 0.0009103 k( 891) = ( 0.3846154 -0.3076923 -0.0769231), wk = 0.0009103 k( 892) = ( 0.3846154 -0.2307692 0.0000000), wk = 0.0009103 k( 893) = ( 0.3846154 -0.2307692 0.0769231), wk = 0.0009103 k( 894) = ( 0.3846154 -0.2307692 0.1538462), wk = 0.0009103 k( 895) = ( 0.3846154 -0.2307692 0.2307692), wk = 0.0009103 k( 896) = ( 0.3846154 -0.2307692 0.3076923), wk = 0.0009103 k( 897) = ( 0.3846154 -0.2307692 0.3846154), wk = 0.0009103 k( 898) = ( 0.3846154 -0.2307692 0.4615385), wk = 0.0009103 k( 899) = ( 0.3846154 -0.2307692 -0.4615385), wk = 0.0009103 k( 900) = ( 0.3846154 -0.2307692 -0.3846154), wk = 0.0009103 k( 901) = ( 0.3846154 -0.2307692 -0.3076923), wk = 0.0009103 k( 902) = ( 0.3846154 -0.2307692 -0.2307692), wk = 0.0009103 k( 903) = ( 0.3846154 -0.2307692 -0.1538462), wk = 0.0009103 k( 904) = ( 0.3846154 -0.2307692 -0.0769231), wk = 0.0009103 k( 905) = ( 0.3846154 -0.1538462 -0.0000000), wk = 0.0009103 k( 906) = ( 0.3846154 -0.1538462 0.0769231), wk = 0.0009103 k( 907) = ( 0.3846154 -0.1538462 0.1538462), wk = 0.0009103 k( 908) = ( 0.3846154 -0.1538462 0.2307692), wk = 0.0009103 k( 909) = ( 0.3846154 -0.1538462 0.3076923), wk = 0.0009103 k( 910) = ( 0.3846154 -0.1538462 0.3846154), wk = 0.0009103 k( 911) = ( 0.3846154 -0.1538462 0.4615385), wk = 0.0009103 k( 912) = ( 0.3846154 -0.1538462 -0.4615385), wk = 0.0009103 k( 913) = ( 0.3846154 -0.1538462 -0.3846154), wk = 0.0009103 k( 914) = ( 0.3846154 -0.1538462 -0.3076923), wk = 0.0009103 k( 915) = ( 0.3846154 -0.1538462 -0.2307692), wk = 0.0009103 k( 916) = ( 0.3846154 -0.1538462 -0.1538462), wk = 0.0009103 k( 917) = ( 0.3846154 -0.1538462 -0.0769231), wk = 0.0009103 k( 918) = ( 0.3846154 -0.0769231 -0.0000000), wk = 0.0009103 k( 919) = ( 0.3846154 -0.0769231 0.0769231), wk = 0.0009103 k( 920) = ( 0.3846154 -0.0769231 0.1538462), wk = 0.0009103 k( 921) = ( 0.3846154 -0.0769231 0.2307692), wk = 0.0009103 k( 922) = ( 0.3846154 -0.0769231 0.3076923), wk = 0.0009103 k( 923) = ( 0.3846154 -0.0769231 0.3846154), wk = 0.0009103 k( 924) = ( 0.3846154 -0.0769231 0.4615385), wk = 0.0009103 k( 925) = ( 0.3846154 -0.0769231 -0.4615385), wk = 0.0009103 k( 926) = ( 0.3846154 -0.0769231 -0.3846154), wk = 0.0009103 k( 927) = ( 0.3846154 -0.0769231 -0.3076923), wk = 0.0009103 k( 928) = ( 0.3846154 -0.0769231 -0.2307692), wk = 0.0009103 k( 929) = ( 0.3846154 -0.0769231 -0.1538462), wk = 0.0009103 k( 930) = ( 0.3846154 -0.0769231 -0.0769231), wk = 0.0009103 k( 931) = ( 0.4615385 -0.0000000 0.0000000), wk = 0.0009103 k( 932) = ( 0.4615385 -0.0000000 0.0769231), wk = 0.0009103 k( 933) = ( 0.4615385 -0.0000000 0.1538462), wk = 0.0009103 k( 934) = ( 0.4615385 -0.0000000 0.2307692), wk = 0.0009103 k( 935) = ( 0.4615385 -0.0000000 0.3076923), wk = 0.0009103 k( 936) = ( 0.4615385 -0.0000000 0.3846154), wk = 0.0009103 k( 937) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0009103 k( 938) = ( 0.4615385 -0.0000000 -0.4615385), wk = 0.0009103 k( 939) = ( 0.4615385 -0.0000000 -0.3846154), wk = 0.0009103 k( 940) = ( 0.4615385 -0.0000000 -0.3076923), wk = 0.0009103 k( 941) = ( 0.4615385 -0.0000000 -0.2307692), wk = 0.0009103 k( 942) = ( 0.4615385 -0.0000000 -0.1538462), wk = 0.0009103 k( 943) = ( 0.4615385 -0.0000000 -0.0769231), wk = 0.0009103 k( 944) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0009103 k( 945) = ( 0.4615385 0.0769231 0.0769231), wk = 0.0009103 k( 946) = ( 0.4615385 0.0769231 0.1538462), wk = 0.0009103 k( 947) = ( 0.4615385 0.0769231 0.2307692), wk = 0.0009103 k( 948) = ( 0.4615385 0.0769231 0.3076923), wk = 0.0009103 k( 949) = ( 0.4615385 0.0769231 0.3846154), wk = 0.0009103 k( 950) = ( 0.4615385 0.0769231 0.4615385), wk = 0.0009103 k( 951) = ( 0.4615385 0.0769231 -0.4615385), wk = 0.0009103 k( 952) = ( 0.4615385 0.0769231 -0.3846154), wk = 0.0009103 k( 953) = ( 0.4615385 0.0769231 -0.3076923), wk = 0.0009103 k( 954) = ( 0.4615385 0.0769231 -0.2307692), wk = 0.0009103 k( 955) = ( 0.4615385 0.0769231 -0.1538462), wk = 0.0009103 k( 956) = ( 0.4615385 0.0769231 -0.0769231), wk = 0.0009103 k( 957) = ( 0.4615385 0.1538462 0.0000000), wk = 0.0009103 k( 958) = ( 0.4615385 0.1538462 0.0769231), wk = 0.0009103 k( 959) = ( 0.4615385 0.1538462 0.1538462), wk = 0.0009103 k( 960) = ( 0.4615385 0.1538462 0.2307692), wk = 0.0009103 k( 961) = ( 0.4615385 0.1538462 0.3076923), wk = 0.0009103 k( 962) = ( 0.4615385 0.1538462 0.3846154), wk = 0.0009103 k( 963) = ( 0.4615385 0.1538462 0.4615385), wk = 0.0009103 k( 964) = ( 0.4615385 0.1538462 -0.4615385), wk = 0.0009103 k( 965) = ( 0.4615385 0.1538462 -0.3846154), wk = 0.0009103 k( 966) = ( 0.4615385 0.1538462 -0.3076923), wk = 0.0009103 k( 967) = ( 0.4615385 0.1538462 -0.2307692), wk = 0.0009103 k( 968) = ( 0.4615385 0.1538462 -0.1538462), wk = 0.0009103 k( 969) = ( 0.4615385 0.1538462 -0.0769231), wk = 0.0009103 k( 970) = ( 0.4615385 0.2307692 0.0000000), wk = 0.0009103 k( 971) = ( 0.4615385 0.2307692 0.0769231), wk = 0.0009103 k( 972) = ( 0.4615385 0.2307692 0.1538462), wk = 0.0009103 k( 973) = ( 0.4615385 0.2307692 0.2307692), wk = 0.0009103 k( 974) = ( 0.4615385 0.2307692 0.3076923), wk = 0.0009103 k( 975) = ( 0.4615385 0.2307692 0.3846154), wk = 0.0009103 k( 976) = ( 0.4615385 0.2307692 0.4615385), wk = 0.0009103 k( 977) = ( 0.4615385 0.2307692 -0.4615385), wk = 0.0009103 k( 978) = ( 0.4615385 0.2307692 -0.3846154), wk = 0.0009103 k( 979) = ( 0.4615385 0.2307692 -0.3076923), wk = 0.0009103 k( 980) = ( 0.4615385 0.2307692 -0.2307692), wk = 0.0009103 k( 981) = ( 0.4615385 0.2307692 -0.1538462), wk = 0.0009103 k( 982) = ( 0.4615385 0.2307692 -0.0769231), wk = 0.0009103 k( 983) = ( 0.4615385 0.3076923 0.0000000), wk = 0.0009103 k( 984) = ( 0.4615385 0.3076923 0.0769231), wk = 0.0009103 k( 985) = ( 0.4615385 0.3076923 0.1538462), wk = 0.0009103 k( 986) = ( 0.4615385 0.3076923 0.2307692), wk = 0.0009103 k( 987) = ( 0.4615385 0.3076923 0.3076923), wk = 0.0009103 k( 988) = ( 0.4615385 0.3076923 0.3846154), wk = 0.0009103 k( 989) = ( 0.4615385 0.3076923 0.4615385), wk = 0.0009103 k( 990) = ( 0.4615385 0.3076923 -0.4615385), wk = 0.0009103 k( 991) = ( 0.4615385 0.3076923 -0.3846154), wk = 0.0009103 k( 992) = ( 0.4615385 0.3076923 -0.3076923), wk = 0.0009103 k( 993) = ( 0.4615385 0.3076923 -0.2307692), wk = 0.0009103 k( 994) = ( 0.4615385 0.3076923 -0.1538462), wk = 0.0009103 k( 995) = ( 0.4615385 0.3076923 -0.0769231), wk = 0.0009103 k( 996) = ( 0.4615385 0.3846154 -0.0000000), wk = 0.0009103 k( 997) = ( 0.4615385 0.3846154 0.0769231), wk = 0.0009103 k( 998) = ( 0.4615385 0.3846154 0.1538462), wk = 0.0009103 k( 999) = ( 0.4615385 0.3846154 0.2307692), wk = 0.0009103 k( 1000) = ( 0.4615385 0.3846154 0.3076923), wk = 0.0009103 k( 1001) = ( 0.4615385 0.3846154 0.3846154), wk = 0.0009103 k( 1002) = ( 0.4615385 0.3846154 0.4615385), wk = 0.0009103 k( 1003) = ( 0.4615385 0.3846154 -0.4615385), wk = 0.0009103 k( 1004) = ( 0.4615385 0.3846154 -0.3846154), wk = 0.0009103 k( 1005) = ( 0.4615385 0.3846154 -0.3076923), wk = 0.0009103 k( 1006) = ( 0.4615385 0.3846154 -0.2307692), wk = 0.0009103 k( 1007) = ( 0.4615385 0.3846154 -0.1538462), wk = 0.0009103 k( 1008) = ( 0.4615385 0.3846154 -0.0769231), wk = 0.0009103 k( 1009) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0009103 k( 1010) = ( 0.4615385 0.4615385 0.0769231), wk = 0.0009103 k( 1011) = ( 0.4615385 0.4615385 0.1538462), wk = 0.0009103 k( 1012) = ( 0.4615385 0.4615385 0.2307692), wk = 0.0009103 k( 1013) = ( 0.4615385 0.4615385 0.3076923), wk = 0.0009103 k( 1014) = ( 0.4615385 0.4615385 0.3846154), wk = 0.0009103 k( 1015) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0009103 k( 1016) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0009103 k( 1017) = ( 0.4615385 0.4615385 -0.3846154), wk = 0.0009103 k( 1018) = ( 0.4615385 0.4615385 -0.3076923), wk = 0.0009103 k( 1019) = ( 0.4615385 0.4615385 -0.2307692), wk = 0.0009103 k( 1020) = ( 0.4615385 0.4615385 -0.1538462), wk = 0.0009103 k( 1021) = ( 0.4615385 0.4615385 -0.0769231), wk = 0.0009103 k( 1022) = ( 0.4615385 -0.4615385 -0.0000000), wk = 0.0009103 k( 1023) = ( 0.4615385 -0.4615385 0.0769231), wk = 0.0009103 k( 1024) = ( 0.4615385 -0.4615385 0.1538462), wk = 0.0009103 k( 1025) = ( 0.4615385 -0.4615385 0.2307692), wk = 0.0009103 k( 1026) = ( 0.4615385 -0.4615385 0.3076923), wk = 0.0009103 k( 1027) = ( 0.4615385 -0.4615385 0.3846154), wk = 0.0009103 k( 1028) = ( 0.4615385 -0.4615385 0.4615385), wk = 0.0009103 k( 1029) = ( 0.4615385 -0.4615385 -0.4615385), wk = 0.0009103 k( 1030) = ( 0.4615385 -0.4615385 -0.3846154), wk = 0.0009103 k( 1031) = ( 0.4615385 -0.4615385 -0.3076923), wk = 0.0009103 k( 1032) = ( 0.4615385 -0.4615385 -0.2307692), wk = 0.0009103 k( 1033) = ( 0.4615385 -0.4615385 -0.1538462), wk = 0.0009103 k( 1034) = ( 0.4615385 -0.4615385 -0.0769231), wk = 0.0009103 k( 1035) = ( 0.4615385 -0.3846154 -0.0000000), wk = 0.0009103 k( 1036) = ( 0.4615385 -0.3846154 0.0769231), wk = 0.0009103 k( 1037) = ( 0.4615385 -0.3846154 0.1538462), wk = 0.0009103 k( 1038) = ( 0.4615385 -0.3846154 0.2307692), wk = 0.0009103 k( 1039) = ( 0.4615385 -0.3846154 0.3076923), wk = 0.0009103 k( 1040) = ( 0.4615385 -0.3846154 0.3846154), wk = 0.0009103 k( 1041) = ( 0.4615385 -0.3846154 0.4615385), wk = 0.0009103 k( 1042) = ( 0.4615385 -0.3846154 -0.4615385), wk = 0.0009103 k( 1043) = ( 0.4615385 -0.3846154 -0.3846154), wk = 0.0009103 k( 1044) = ( 0.4615385 -0.3846154 -0.3076923), wk = 0.0009103 k( 1045) = ( 0.4615385 -0.3846154 -0.2307692), wk = 0.0009103 k( 1046) = ( 0.4615385 -0.3846154 -0.1538462), wk = 0.0009103 k( 1047) = ( 0.4615385 -0.3846154 -0.0769231), wk = 0.0009103 k( 1048) = ( 0.4615385 -0.3076923 -0.0000000), wk = 0.0009103 k( 1049) = ( 0.4615385 -0.3076923 0.0769231), wk = 0.0009103 k( 1050) = ( 0.4615385 -0.3076923 0.1538462), wk = 0.0009103 k( 1051) = ( 0.4615385 -0.3076923 0.2307692), wk = 0.0009103 k( 1052) = ( 0.4615385 -0.3076923 0.3076923), wk = 0.0009103 k( 1053) = ( 0.4615385 -0.3076923 0.3846154), wk = 0.0009103 k( 1054) = ( 0.4615385 -0.3076923 0.4615385), wk = 0.0009103 k( 1055) = ( 0.4615385 -0.3076923 -0.4615385), wk = 0.0009103 k( 1056) = ( 0.4615385 -0.3076923 -0.3846154), wk = 0.0009103 k( 1057) = ( 0.4615385 -0.3076923 -0.3076923), wk = 0.0009103 k( 1058) = ( 0.4615385 -0.3076923 -0.2307692), wk = 0.0009103 k( 1059) = ( 0.4615385 -0.3076923 -0.1538462), wk = 0.0009103 k( 1060) = ( 0.4615385 -0.3076923 -0.0769231), wk = 0.0009103 k( 1061) = ( 0.4615385 -0.2307692 0.0000000), wk = 0.0009103 k( 1062) = ( 0.4615385 -0.2307692 0.0769231), wk = 0.0009103 k( 1063) = ( 0.4615385 -0.2307692 0.1538462), wk = 0.0009103 k( 1064) = ( 0.4615385 -0.2307692 0.2307692), wk = 0.0009103 k( 1065) = ( 0.4615385 -0.2307692 0.3076923), wk = 0.0009103 k( 1066) = ( 0.4615385 -0.2307692 0.3846154), wk = 0.0009103 k( 1067) = ( 0.4615385 -0.2307692 0.4615385), wk = 0.0009103 k( 1068) = ( 0.4615385 -0.2307692 -0.4615385), wk = 0.0009103 k( 1069) = ( 0.4615385 -0.2307692 -0.3846154), wk = 0.0009103 k( 1070) = ( 0.4615385 -0.2307692 -0.3076923), wk = 0.0009103 k( 1071) = ( 0.4615385 -0.2307692 -0.2307692), wk = 0.0009103 k( 1072) = ( 0.4615385 -0.2307692 -0.1538462), wk = 0.0009103 k( 1073) = ( 0.4615385 -0.2307692 -0.0769231), wk = 0.0009103 k( 1074) = ( 0.4615385 -0.1538462 0.0000000), wk = 0.0009103 k( 1075) = ( 0.4615385 -0.1538462 0.0769231), wk = 0.0009103 k( 1076) = ( 0.4615385 -0.1538462 0.1538462), wk = 0.0009103 k( 1077) = ( 0.4615385 -0.1538462 0.2307692), wk = 0.0009103 k( 1078) = ( 0.4615385 -0.1538462 0.3076923), wk = 0.0009103 k( 1079) = ( 0.4615385 -0.1538462 0.3846154), wk = 0.0009103 k( 1080) = ( 0.4615385 -0.1538462 0.4615385), wk = 0.0009103 k( 1081) = ( 0.4615385 -0.1538462 -0.4615385), wk = 0.0009103 k( 1082) = ( 0.4615385 -0.1538462 -0.3846154), wk = 0.0009103 k( 1083) = ( 0.4615385 -0.1538462 -0.3076923), wk = 0.0009103 k( 1084) = ( 0.4615385 -0.1538462 -0.2307692), wk = 0.0009103 k( 1085) = ( 0.4615385 -0.1538462 -0.1538462), wk = 0.0009103 k( 1086) = ( 0.4615385 -0.1538462 -0.0769231), wk = 0.0009103 k( 1087) = ( 0.4615385 -0.0769231 0.0000000), wk = 0.0009103 k( 1088) = ( 0.4615385 -0.0769231 0.0769231), wk = 0.0009103 k( 1089) = ( 0.4615385 -0.0769231 0.1538462), wk = 0.0009103 k( 1090) = ( 0.4615385 -0.0769231 0.2307692), wk = 0.0009103 k( 1091) = ( 0.4615385 -0.0769231 0.3076923), wk = 0.0009103 k( 1092) = ( 0.4615385 -0.0769231 0.3846154), wk = 0.0009103 k( 1093) = ( 0.4615385 -0.0769231 0.4615385), wk = 0.0009103 k( 1094) = ( 0.4615385 -0.0769231 -0.4615385), wk = 0.0009103 k( 1095) = ( 0.4615385 -0.0769231 -0.3846154), wk = 0.0009103 k( 1096) = ( 0.4615385 -0.0769231 -0.3076923), wk = 0.0009103 k( 1097) = ( 0.4615385 -0.0769231 -0.2307692), wk = 0.0009103 k( 1098) = ( 0.4615385 -0.0769231 -0.1538462), wk = 0.0009103 k( 1099) = ( 0.4615385 -0.0769231 -0.0769231), wk = 0.0009103 Dense grid: 2251 G-vectors FFT dimensions: ( 18, 18, 18) Smooth grid: 1819 G-vectors FFT dimensions: ( 15, 15, 15) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.00 Mb ( 22, 14) NL pseudopotentials 0.01 Mb ( 11, 34) Each V/rho on FFT grid 0.00 Mb ( 324) Each G-vector array 0.00 Mb ( 63) G-vector shells 0.00 Mb ( 49) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.02 Mb ( 22, 56) Each subspace H/S matrix 0.00 Mb ( 14, 14) Each matrix 0.01 Mb ( 34, 2, 14) Arrays for rho mixing 0.04 Mb ( 324, 8) Initial potential from superposition of free atoms starting charge 5.99997, renormalised to 6.00000 Starting wfc are 8 randomized atomic wfcs + 6 random wfc total cpu time spent up to now is 3.9 secs per-process dynamical memory: 13.2 Mb Self-consistent Calculation iteration # 1 ecut= 40.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 5.5 Threshold (ethr) on eigenvalues was too large: Diagonalizing with lowered threshold Davidson diagonalization with overlap ethr = 9.56E-05, avg # of iterations = 3.3 total cpu time spent up to now is 35.2 secs total energy = -20.64036359 Ry Harris-Foulkes estimate = -20.64091555 Ry estimated scf accuracy < 0.00573380 Ry iteration # 2 ecut= 40.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 9.56E-05, avg # of iterations = 1.0 total cpu time spent up to now is 43.3 secs total energy = -20.64053306 Ry Harris-Foulkes estimate = -20.64050131 Ry estimated scf accuracy < 0.00038100 Ry iteration # 3 ecut= 40.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 6.35E-06, avg # of iterations = 2.1 total cpu time spent up to now is 53.5 secs total energy = -20.64054248 Ry Harris-Foulkes estimate = -20.64054217 Ry estimated scf accuracy < 0.00000420 Ry iteration # 4 ecut= 40.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 7.00E-08, avg # of iterations = 2.1 total cpu time spent up to now is 63.9 secs total energy = -20.64054310 Ry Harris-Foulkes estimate = -20.64054311 Ry estimated scf accuracy < 0.00000003 Ry iteration # 5 ecut= 40.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 4.19E-10, avg # of iterations = 2.2 total cpu time spent up to now is 74.9 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 213 PWs) bands (ev): -2.8151 -2.8151 29.1243 29.1243 31.8177 31.8177 31.8177 31.8177 32.5274 32.5274 32.6444 32.6444 39.8137 39.8137 occupation numbers 1.0000 1.0000 0.0000 0.0000 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 0.0837 ( 220 PWs) bands (ev): -2.5886 -2.5886 27.1970 27.1970 29.8711 29.8711 31.0380 31.0380 33.4320 33.4320 35.9678 35.9678 40.0138 40.0138 occupation numbers 1.0000 1.0000 0.0000 0.0000 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 0.1674 ( 220 PWs) bands (ev): -1.9109 -1.9109 23.1108 23.1108 29.3171 29.3171 30.1978 30.1978 34.2698 34.2698 39.1692 39.1692 40.0016 40.0016 occupation numbers 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 0.2511 ( 225 PWs) bands (ev): -0.7875 -0.7875 18.9859 18.9859 28.8943 28.8943 29.6444 29.6444 34.2818 34.2818 38.5596 38.5596 42.4749 42.4750 occupation numbers 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 0.3348 ( 231 PWs) bands (ev): 0.7702 0.7702 15.0954 15.0954 28.5942 28.5942 29.4227 29.4227 33.4280 33.4280 37.1825 37.1825 44.2336 44.2336 occupation numbers 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 0.4185 ( 230 PWs) bands (ev): 2.7337 2.7337 11.5480 11.5480 28.4317 28.4317 29.5313 29.5313 32.2847 32.2847 36.0802 36.0802 45.8299 45.8299 occupation numbers 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 0.5022 ( 222 PWs) bands (ev): 4.9422 4.9422 8.5402 8.5402 28.3720 28.3720 29.8690 29.8690 31.3556 31.3556 35.4761 35.4761 47.1076 47.1076 occupation numbers 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 0.0793 0.0268 ( 220 PWs) bands (ev): -2.5886 -2.5886 27.1970 27.1970 29.8711 29.8711 31.0380 31.0380 33.4319 33.4319 35.9678 35.9678 40.0138 40.0138 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0793 0.1105 ( 221 PWs) bands (ev): -2.2193 -2.2193 26.1563 26.1563 26.4352 26.4352 29.6467 29.6467 35.6454 35.6454 38.3048 38.3048 41.3769 41.3769 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0793 0.1942 ( 224 PWs) bands (ev): -1.4005 -1.4005 22.0164 22.0164 25.5829 25.5829 28.9689 28.9689 36.5750 36.5750 40.9084 40.9085 42.0993 42.0993 occupation numbers 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 0.0793 0.2779 ( 228 PWs) bands (ev): -0.1390 -0.1390 17.9292 17.9292 25.1260 25.1260 28.5563 28.5563 36.3881 36.3881 40.3832 40.3832 44.1726 44.1726 occupation numbers 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 0.0793 0.3616 ( 231 PWs) bands (ev): 1.5502 1.5502 14.1290 14.1290 25.0087 25.0087 28.4429 28.4429 35.3840 35.3840 39.2066 39.2066 45.3885 45.3886 occupation numbers 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 0.0793 0.4453 ( 230 PWs) bands (ev): 3.6240 3.6240 10.7120 10.7120 25.2393 25.2393 28.6376 28.6376 34.2212 34.2212 38.0322 38.0322 46.4082 46.4083 occupation numbers 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 0.0793 0.5290 ( 223 PWs) bands (ev): 5.6799 5.6799 8.1047 8.1047 25.8001 25.8001 29.1179 29.1179 33.2664 33.2664 37.0645 37.0645 46.5755 46.5755 occupation numbers 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 0.0793-0.4754 ( 228 PWs) bands (ev): 4.4506 4.4506 9.5812 9.5812 26.6362 26.6362 29.8233 29.8233 32.6837 32.6837 36.4211 36.4211 45.1512 45.1512 occupation numbers 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 0.0793-0.3917 ( 230 PWs) bands (ev): 2.2722 2.2722 12.7975 12.7975 27.6268 27.6268 30.6537 30.6537 32.5631 32.5631 36.1478 36.1478 43.0780 43.0780 occupation numbers 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 0.0793-0.3080 ( 229 PWs) bands (ev): 0.4328 0.4328 16.4378 16.4378 28.5610 28.5610 31.5042 31.5042 32.8722 32.8722 36.1852 36.1852 41.3172 41.3172 occupation numbers 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 0.0793-0.2243 ( 224 PWs) bands (ev): -0.9882 -0.9882 20.3580 20.3580 29.2230 29.2230 32.1062 32.1062 33.3786 33.3786 36.4373 36.4373 40.4208 40.4208 occupation numbers 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 0.0793-0.1406 ( 221 PWs) bands (ev): -1.9707 -1.9707 24.3576 24.3576 29.4831 29.4831 31.9465 31.9465 33.9039 33.9039 37.2372 37.2372 38.3713 38.3713 occupation numbers 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0793-0.0569 ( 221 PWs) bands (ev): -2.5055 -2.5055 27.3665 27.3665 29.8535 29.8535 31.5001 31.5001 34.2590 34.2590 35.3216 35.3216 38.6204 38.6204 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1586 0.0536 ( 220 PWs) bands (ev): -1.9109 -1.9109 23.1108 23.1108 29.3171 29.3171 30.1978 30.1978 34.2698 34.2698 39.1692 39.1692 40.0016 40.0016 occupation numbers 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 0.1586 0.1373 ( 224 PWs) bands (ev): -1.4005 -1.4005 22.0164 22.0164 25.5829 25.5829 28.9689 28.9689 36.5750 36.5750 40.9084 40.9085 42.0993 42.0993 occupation numbers 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 0.1586 0.2210 ( 226 PWs) bands (ev): -0.4432 -0.4432 20.8087 20.8087 21.8317 21.8317 28.3722 28.3722 37.8158 37.8158 42.2169 42.2170 43.7079 43.7084 occupation numbers 1.0000 1.0000 1.0000 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 0.1586 0.3047 ( 223 PWs) bands (ev): 0.9518 0.9518 17.2132 17.2132 21.0461 21.0461 28.0652 28.0652 37.7620 37.7620 41.7820 41.7820 44.7350 44.7350 occupation numbers 1.0000 1.0000 1.0000 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 0.1586 0.3884 ( 231 PWs) bands (ev): 2.7648 2.7648 13.5586 13.5586 21.0240 21.0240 28.0819 28.0819 36.7179 36.7179 41.6900 41.6900 44.6956 44.6956 occupation numbers 1.0000 1.0000 1.0000 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 0.1586 0.4720 ( 230 PWs) bands (ev): 4.9241 4.9241 10.3114 10.3114 21.4148 21.4148 28.4276 28.4276 35.5292 35.5292 40.9763 40.9763 44.7865 44.7865 occupation numbers 1.0000 1.0000 1.0000 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 0.1586 0.5557 ( 228 PWs) bands (ev): 6.3265 6.3265 8.6068 8.6068 22.1933 22.1933 29.0757 29.0757 34.5580 34.5580 39.7864 39.7864 44.1964 44.1964 occupation numbers 1.0000 1.0000 1.0000 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 0.1586-0.4486 ( 229 PWs) bands (ev): 4.3348 4.3348 11.0837 11.0837 23.3293 23.3293 29.9485 29.9485 33.9124 33.9124 38.3482 38.3482 42.7521 42.7522 occupation numbers 1.0000 1.0000 1.0000 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 0.1586-0.3649 ( 228 PWs) bands (ev): 2.2479 2.2479 14.4233 14.4233 24.7488 24.7488 30.8691 30.8691 33.5574 33.5574 36.8252 36.8252 41.4560 41.4560 occupation numbers 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 0.1586-0.2812 ( 225 PWs) bands (ev): 0.5412 0.5412 18.0950 18.0950 26.2234 26.2234 31.5682 31.5682 33.0982 33.0982 36.0667 36.0667 40.5888 40.5888 occupation numbers 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 0.1586-0.1975 ( 223 PWs) bands (ev): -0.7395 -0.7395 21.9005 21.9005 27.0551 27.0551 31.8921 31.8921 32.9444 32.9444 36.2911 36.2911 40.2055 40.2056 occupation numbers 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 0.1586-0.1138 ( 220 PWs) bands (ev): -1.5792 -1.5792 24.8638 24.8638 27.2829 27.2829 31.8130 31.8130 34.4983 34.4983 36.1262 36.1262 39.3817 39.3817 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1586-0.0301 ( 221 PWs) bands (ev): -1.9707 -1.9707 24.3576 24.3576 29.4831 29.4831 31.9465 31.9465 33.9039 33.9039 37.2372 37.2372 38.3713 38.3714 occupation numbers 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2379 0.0804 ( 225 PWs) bands (ev): -0.7875 -0.7875 18.9859 18.9859 28.8943 28.8943 29.6444 29.6444 34.2818 34.2818 38.5596 38.5596 42.4749 42.4753 occupation numbers 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 0.2379 0.1641 ( 228 PWs) bands (ev): -0.1390 -0.1390 17.9292 17.9292 25.1260 25.1260 28.5563 28.5563 36.3881 36.3881 40.3832 40.3832 44.1726 44.1726 occupation numbers 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 0.2379 0.2478 ( 223 PWs) bands (ev): 0.9518 0.9518 17.2132 17.2132 21.0461 21.0461 28.0652 28.0652 37.7620 37.7620 41.7820 41.7820 44.7350 44.7350 occupation numbers 1.0000 1.0000 1.0000 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 0.2379 0.3315 ( 229 PWs) bands (ev): 2.4732 2.4732 16.3956 16.3956 17.7049 17.7049 27.8752 27.8752 38.4531 38.4531 41.2865 41.2865 46.5124 46.5124 occupation numbers 1.0000 1.0000 1.0000 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 0.2379 0.4151 ( 229 PWs) bands (ev): 4.3979 4.3979 13.3636 13.3636 17.3282 17.3282 28.0168 28.0168 37.8411 37.8411 41.7084 41.7084 44.5772 44.5772 occupation numbers 1.0000 1.0000 1.0000 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 0.2379 0.4988 ( 231 PWs) bands (ev): 6.5905 6.5905 10.3654 10.3654 17.8354 17.8354 28.4909 28.4909 36.6327 36.6327 41.9749 41.9749 42.6618 42.6618 occupation numbers 1.0000 1.0000 1.0000 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 0.2379 0.5825 ( 232 PWs) bands (ev): 6.8236 6.8236 10.0711 10.0711 18.7837 18.7837 29.2644 29.2644 35.3321 35.3321 39.4035 39.4035 43.1218 43.1218 occupation numbers 1.0000 1.0000 1.0000 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 0.2379-0.4218 ( 232 PWs) bands (ev): 4.6323 4.6323 12.9542 12.9542 20.1244 20.1244 30.2341 30.2341 33.7021 33.7021 37.5193 37.5193 42.6441 42.6441 occupation numbers 1.0000 1.0000 1.0000 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 0.2379-0.3381 ( 230 PWs) bands (ev): 2.6633 2.6633 16.3214 16.3214 21.7723 21.7723 30.8651 30.8651 31.9814 31.9814 36.8232 36.8232 41.5883 41.5883 occupation numbers 1.0000 1.0000 1.0000 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 0.2379-0.2544 ( 229 PWs) bands (ev): 1.0949 1.0949 19.8647 19.8647 23.3642 23.3642 29.6596 29.6596 32.1960 32.1960 37.0885 37.0885 40.4951 40.4952 occupation numbers 1.0000 1.0000 1.0000 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 0.2379-0.1707 ( 226 PWs) bands (ev): -0.0433 -0.0433 22.7466 22.7466 24.2285 24.2285 30.1388 30.1388 32.2606 32.2606 37.4432 37.4432 39.7786 39.7786 occupation numbers 1.0000 1.0000 1.0000 1.0000 0.6945 0.6945 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2379-0.0870 ( 223 PWs) bands (ev): -0.7395 -0.7395 21.9005 21.9005 27.0551 27.0551 31.8921 31.8921 32.9444 32.9444 36.2911 36.2911 40.2055 40.2055 occupation numbers 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 0.2379-0.0033 ( 224 PWs) bands (ev): -0.9882 -0.9882 20.3580 20.3580 29.2230 29.2230 32.1062 32.1062 33.3786 33.3786 36.4373 36.4373 40.4209 40.4210 occupation numbers 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 0.3172 0.1072 ( 231 PWs) bands (ev): 0.7702 0.7702 15.0954 15.0954 28.5942 28.5942 29.4227 29.4227 33.4280 33.4280 37.1825 37.1825 44.2336 44.2337 occupation numbers 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 0.3172 0.1909 ( 231 PWs) bands (ev): 1.5502 1.5502 14.1290 14.1290 25.0087 25.0087 28.4429 28.4429 35.3840 35.3840 39.2066 39.2066 45.3886 45.3886 occupation numbers 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 0.3172 0.2745 ( 231 PWs) bands (ev): 2.7648 2.7648 13.5586 13.5586 21.0240 21.0240 28.0819 28.0819 36.7179 36.7179 41.6900 41.6900 44.6956 44.6956 occupation numbers 1.0000 1.0000 1.0000 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 0.3172 0.3582 ( 229 PWs) bands (ev): 4.3979 4.3979 13.3636 13.3636 17.3282 17.3282 28.0168 28.0168 37.8411 37.8411 41.7084 41.7084 44.5772 44.5772 occupation numbers 1.0000 1.0000 1.0000 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 0.3172 0.4419 ( 233 PWs) bands (ev): 6.4083 6.4083 13.0363 13.0363 14.5509 14.5509 28.2751 28.2751 38.0831 38.0831 41.2258 41.2258 42.3909 42.3909 occupation numbers 1.0000 1.0000 1.0000 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 0.3172 0.5256 ( 230 PWs) bands (ev): 8.5047 8.5047 10.8609 10.8609 14.7245 14.7245 28.8433 28.8433 36.4680 36.4680 39.9676 39.9676 41.9070 41.9070 occupation numbers 1.0000 1.0000 1.0000 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 0.3172 0.6093 ( 233 PWs) bands (ev): 7.5177 7.5177 11.9726 11.9726 15.8692 15.8692 29.6159 29.6159 33.8308 33.8308 38.3454 38.3454 42.1546 42.1546 occupation numbers 1.0000 1.0000 1.0000 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 0.3172-0.3950 ( 231 PWs) bands (ev): 5.3532 5.3532 14.8212 14.8212 17.5546 17.5546 29.6906 29.6906 31.8517 31.8517 37.3129 37.3129 41.6087 41.6087 occupation numbers 1.0000 1.0000 1.0000 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 0.3172-0.3113 ( 230 PWs) bands (ev): 3.5161 3.5161 17.7083 17.7083 19.6816 19.6816 27.7279 27.7279 32.2661 32.2661 36.8051 36.8051 41.1018 41.1018 occupation numbers 1.0000 1.0000 1.0000 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 0.3172-0.2276 ( 230 PWs) bands (ev): 2.0896 2.0896 20.3436 20.3436 21.1383 21.1383 27.1328 27.1328 32.5592 32.5592 37.0077 37.0077 40.9996 40.9999 occupation numbers 1.0000 1.0000 1.0000 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 0.3172-0.1439 ( 229 PWs) bands (ev): 1.0949 1.0949 19.8647 19.8647 23.3642 23.3642 29.6596 29.6596 32.1960 32.1960 37.0885 37.0885 40.4952 40.4952 occupation numbers 1.0000 1.0000 1.0000 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 0.3172-0.0602 ( 225 PWs) bands (ev): 0.5412 0.5412 18.0950 18.0950 26.2234 26.2234 31.5682 31.5682 33.0982 33.0982 36.0667 36.0667 40.5888 40.5888 occupation numbers 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 0.3172 0.0235 ( 229 PWs) bands (ev): 0.4328 0.4328 16.4378 16.4378 28.5610 28.5610 31.5042 31.5042 32.8722 32.8722 36.1852 36.1852 41.3172 41.3172 occupation numbers 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 0.3964 0.1340 ( 230 PWs) bands (ev): 2.7337 2.7337 11.5480 11.5480 28.4317 28.4317 29.5313 29.5313 32.2847 32.2847 36.0802 36.0802 45.8299 45.8299 occupation numbers 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 0.3964 0.2176 ( 230 PWs) bands (ev): 3.6240 3.6240 10.7120 10.7120 25.2393 25.2393 28.6376 28.6376 34.2212 34.2212 38.0322 38.0322 46.4082 46.4082 occupation numbers 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 0.3964 0.3013 ( 230 PWs) bands (ev): 4.9241 4.9241 10.3114 10.3114 21.4148 21.4148 28.4276 28.4276 35.5292 35.5292 40.9763 40.9763 44.7865 44.7865 occupation numbers 1.0000 1.0000 1.0000 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 0.3964 0.3850 ( 231 PWs) bands (ev): 6.5905 6.5905 10.3654 10.3654 17.8354 17.8354 28.4909 28.4909 36.6327 36.6327 41.9749 41.9749 42.6618 42.6618 occupation numbers 1.0000 1.0000 1.0000 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 0.3964 0.4687 ( 230 PWs) bands (ev): 8.5047 8.5047 10.8609 10.8609 14.7245 14.7245 28.8433 28.8433 36.4680 36.4680 39.9676 39.9676 41.9070 41.9070 occupation numbers 1.0000 1.0000 1.0000 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 0.3964 0.5524 ( 237 PWs) bands (ev): 10.3011 10.3011 10.7806 10.7806 13.4802 13.4802 29.3864 29.3864 33.8231 33.8231 38.8964 38.8964 41.9846 41.9846 occupation numbers 1.0000 1.0000 1.0000 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 0.3964 0.6361 ( 235 PWs) bands (ev): 8.5532 8.5532 12.1401 12.1401 15.4683 15.4683 29.0980 29.0980 31.6990 31.6990 37.5760 37.5760 42.3303 42.3303 occupation numbers 1.0000 1.0000 1.0000 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 0.3964-0.3682 ( 233 PWs) bands (ev): 6.4951 6.4951 13.9641 13.9641 18.2122 18.2122 26.6944 26.6944 32.1379 32.1379 36.4563 36.4563 42.1835 42.1835 occupation numbers 1.0000 1.0000 1.0000 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 0.3964-0.2845 ( 230 PWs) bands (ev): 4.7990 4.7990 16.0326 16.0326 20.0583 20.0583 25.4690 25.4690 32.6023 32.6023 36.1820 36.1820 41.8076 41.8076 occupation numbers 1.0000 1.0000 1.0000 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 0.3964-0.2008 ( 230 PWs) bands (ev): 3.5161 3.5161 17.7083 17.7083 19.6816 19.6816 27.7279 27.7279 32.2661 32.2661 36.8051 36.8051 41.1018 41.1018 occupation numbers 1.0000 1.0000 1.0000 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 0.3964-0.1171 ( 230 PWs) bands (ev): 2.6633 2.6633 16.3214 16.3214 21.7723 21.7723 30.8651 30.8651 31.9814 31.9814 36.8232 36.8233 41.5884 41.5886 occupation numbers 1.0000 1.0000 1.0000 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 0.3964-0.0334 ( 228 PWs) bands (ev): 2.2479 2.2479 14.4233 14.4233 24.7488 24.7488 30.8691 30.8691 33.5574 33.5574 36.8252 36.8252 41.4560 41.4560 occupation numbers 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 0.3964 0.0503 ( 230 PWs) bands (ev): 2.2722 2.2722 12.7975 12.7975 27.6268 27.6268 30.6537 30.6537 32.5631 32.5631 36.1478 36.1478 43.0779 43.0779 occupation numbers 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 0.4757 0.1607 ( 222 PWs) bands (ev): 4.9422 4.9422 8.5402 8.5402 28.3720 28.3720 29.8690 29.8690 31.3556 31.3556 35.4761 35.4761 47.1076 47.1076 occupation numbers 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 0.4757 0.2444 ( 223 PWs) bands (ev): 5.6799 5.6799 8.1047 8.1047 25.8001 25.8001 29.1179 29.1179 33.2664 33.2664 37.0645 37.0645 46.5755 46.5755 occupation numbers 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 0.4757 0.3281 ( 228 PWs) bands (ev): 6.3265 6.3265 8.6068 8.6068 22.1933 22.1933 29.0757 29.0757 34.5580 34.5580 39.7864 39.7864 44.1964 44.1964 occupation numbers 1.0000 1.0000 1.0000 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 0.4757 0.4118 ( 232 PWs) bands (ev): 6.8236 6.8236 10.0711 10.0711 18.7837 18.7837 29.2644 29.2644 35.3321 35.3321 39.4035 39.4035 43.1217 43.1218 occupation numbers 1.0000 1.0000 1.0000 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 0.4757 0.4955 ( 233 PWs) bands (ev): 7.5177 7.5177 11.9726 11.9726 15.8692 15.8692 29.6159 29.6159 33.8308 33.8308 38.3454 38.3454 42.1546 42.1546 occupation numbers 1.0000 1.0000 1.0000 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 0.4757 0.5792 ( 235 PWs) bands (ev): 8.5532 8.5532 12.1401 12.1401 15.4683 15.4683 29.0980 29.0980 31.6990 31.6990 37.5760 37.5760 42.3303 42.3303 occupation numbers 1.0000 1.0000 1.0000 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 0.4757 0.6629 ( 234 PWs) bands (ev): 9.6489 9.6489 10.3964 10.3964 17.8595 17.8595 26.3636 26.3636 32.0598 32.0598 36.3137 36.3137 42.9982 42.9982 occupation numbers 1.0000 1.0000 1.0000 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 0.4757-0.3414 ( 234 PWs) bands (ev): 8.0377 8.0377 11.8896 11.8896 19.5177 19.5177 24.7177 24.7177 32.5424 32.5424 35.7127 35.7127 42.9635 42.9635 occupation numbers 1.0000 1.0000 1.0000 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 0.4757-0.2577 ( 233 PWs) bands (ev): 6.4951 6.4951 13.9641 13.9641 18.2122 18.2122 26.6944 26.6944 32.1379 32.1379 36.4563 36.4563 42.1835 42.1835 occupation numbers 1.0000 1.0000 1.0000 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 0.4757-0.1740 ( 231 PWs) bands (ev): 5.3532 5.3532 14.8212 14.8212 17.5546 17.5546 29.6906 29.6906 31.8517 31.8517 37.3129 37.3129 41.6087 41.6087 occupation numbers 1.0000 1.0000 1.0000 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 0.4757-0.0903 ( 232 PWs) bands (ev): 4.6323 4.6323 12.9542 12.9542 20.1244 20.1244 30.2341 30.2341 33.7021 33.7021 37.5193 37.5193 42.6440 42.6441 occupation numbers 1.0000 1.0000 1.0000 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 0.4757-0.0066 ( 229 PWs) bands (ev): 4.3348 4.3348 11.0837 11.0837 23.3293 23.3293 29.9485 29.9485 33.9124 33.9124 38.3482 38.3482 42.7520 42.7520 occupation numbers 1.0000 1.0000 1.0000 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 0.4757 0.0771 ( 228 PWs) bands (ev): 4.4506 4.4506 9.5812 9.5812 26.6362 26.6362 29.8233 29.8233 32.6837 32.6837 36.4211 36.4211 45.1512 45.1512 occupation numbers 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 = 0.0769 0.0192 0.0268 ( 220 PWs) bands (ev): -2.5886 -2.5886 27.1970 27.1970 29.8711 29.8711 31.0380 31.0380 33.4319 33.4319 35.9678 35.9678 40.0138 40.0138 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.0192 0.1105 ( 221 PWs) bands (ev): -2.2193 -2.2193 26.1563 26.1563 26.4352 26.4352 29.6467 29.6467 35.6454 35.6454 38.3048 38.3048 41.3769 41.3769 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.0192 0.1942 ( 224 PWs) bands (ev): -1.4005 -1.4005 22.0164 22.0164 25.5829 25.5829 28.9689 28.9689 36.5750 36.5750 40.9084 40.9085 42.0992 42.0993 occupation numbers 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 = 0.0769 0.0192 0.2779 ( 228 PWs) bands (ev): -0.1390 -0.1390 17.9292 17.9292 25.1260 25.1260 28.5563 28.5563 36.3881 36.3881 40.3832 40.3832 44.1726 44.1726 occupation numbers 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 = 0.0769 0.0192 0.3616 ( 231 PWs) bands (ev): 1.5502 1.5502 14.1290 14.1290 25.0087 25.0087 28.4429 28.4429 35.3840 35.3840 39.2066 39.2066 45.3885 45.3886 occupation numbers 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 = 0.0769 0.0192 0.4453 ( 230 PWs) bands (ev): 3.6240 3.6240 10.7120 10.7120 25.2393 25.2393 28.6376 28.6376 34.2212 34.2212 38.0322 38.0322 46.4082 46.4082 occupation numbers 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 = 0.0769 0.0192 0.5290 ( 223 PWs) bands (ev): 5.6799 5.6799 8.1047 8.1047 25.8001 25.8001 29.1179 29.1179 33.2664 33.2664 37.0645 37.0645 46.5755 46.5755 occupation numbers 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 = 0.0769 0.0192-0.4754 ( 228 PWs) bands (ev): 4.4506 4.4506 9.5812 9.5812 26.6362 26.6362 29.8233 29.8233 32.6837 32.6837 36.4211 36.4211 45.1512 45.1512 occupation numbers 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 = 0.0769 0.0192-0.3917 ( 230 PWs) bands (ev): 2.2722 2.2722 12.7975 12.7975 27.6268 27.6268 30.6537 30.6537 32.5631 32.5631 36.1478 36.1478 43.0779 43.0779 occupation numbers 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 = 0.0769 0.0192-0.3080 ( 229 PWs) bands (ev): 0.4328 0.4328 16.4378 16.4378 28.5610 28.5610 31.5042 31.5042 32.8722 32.8722 36.1852 36.1852 41.3172 41.3172 occupation numbers 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 = 0.0769 0.0192-0.2243 ( 224 PWs) bands (ev): -0.9882 -0.9882 20.3580 20.3580 29.2230 29.2230 32.1062 32.1062 33.3786 33.3786 36.4373 36.4373 40.4209 40.4209 occupation numbers 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 = 0.0769 0.0192-0.1406 ( 221 PWs) bands (ev): -1.9707 -1.9707 24.3576 24.3576 29.4831 29.4831 31.9465 31.9465 33.9039 33.9039 37.2372 37.2372 38.3713 38.3713 occupation numbers 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.0192-0.0569 ( 221 PWs) bands (ev): -2.5055 -2.5055 27.3665 27.3665 29.8535 29.8535 31.5001 31.5001 34.2590 34.2590 35.3216 35.3216 38.6204 38.6204 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.0985 0.0536 ( 221 PWs) bands (ev): -2.2193 -2.2193 26.1563 26.1563 26.4352 26.4352 29.6467 29.6467 35.6454 35.6454 38.3048 38.3048 41.3769 41.3769 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.0985 0.1373 ( 225 PWs) bands (ev): -1.7080 -1.7080 25.0715 25.0715 25.1236 25.1236 25.8241 25.8241 39.1058 39.1058 39.1807 39.1807 43.6515 43.6515 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.0985 0.2210 ( 223 PWs) bands (ev): -0.7493 -0.7493 20.9913 20.9913 24.3597 24.3597 25.0377 25.0377 39.5748 39.5748 42.0521 42.0521 44.9044 44.9046 occupation numbers 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.0985 0.3047 ( 230 PWs) bands (ev): 0.6478 0.6478 16.9794 16.9794 23.9862 23.9862 24.7015 24.7015 39.3053 39.3053 42.0388 42.0388 46.7919 46.7922 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.0985 0.3884 ( 232 PWs) bands (ev): 2.4638 2.4638 13.2870 13.2870 23.9944 23.9944 24.7203 24.7203 38.4736 38.4736 40.6041 40.6041 47.6237 47.6237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.0985 0.4720 ( 229 PWs) bands (ev): 4.6264 4.6264 10.0265 10.0265 24.3862 24.3862 25.1005 25.1005 37.4822 37.4822 39.1766 39.1766 47.4271 47.4271 occupation numbers 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 = 0.0769 0.0985 0.5557 ( 226 PWs) bands (ev): 6.0278 6.0278 8.3215 8.3215 25.1480 25.1480 25.8351 25.8351 36.6090 36.6090 37.9392 37.9392 45.8211 45.8211 occupation numbers 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 = 0.0769 0.0985-0.4486 ( 232 PWs) bands (ev): 4.0336 4.0336 10.8056 10.8056 26.2394 26.2394 26.8993 26.8993 35.9850 35.9850 36.8936 36.8936 43.3058 43.3058 occupation numbers 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 = 0.0769 0.0985-0.3649 ( 229 PWs) bands (ev): 1.9440 1.9440 14.1605 14.1605 27.5554 27.5554 28.2337 28.2337 35.6637 35.6637 35.9748 35.9748 40.7059 40.7059 occupation numbers 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 = 0.0769 0.0985-0.2812 ( 229 PWs) bands (ev): 0.2352 0.2352 17.8615 17.8615 28.8108 28.8108 29.6674 29.6674 35.1745 35.1745 35.6655 35.6655 38.6557 38.6557 occupation numbers 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 = 0.0769 0.0985-0.1975 ( 223 PWs) bands (ev): -1.0470 -1.0470 21.7411 21.7411 29.3516 29.3516 30.6370 30.6370 35.0269 35.0269 35.9749 35.9749 37.9479 37.9479 occupation numbers 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 = 0.0769 0.0985-0.1138 ( 222 PWs) bands (ev): -1.8876 -1.8876 25.3536 25.3536 28.7090 28.7090 30.7075 30.7075 36.3773 36.3773 36.5709 36.5709 37.7486 37.7486 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.0985-0.0301 ( 222 PWs) bands (ev): -2.2794 -2.2794 26.9696 26.9696 27.4494 27.4494 31.9557 31.9557 34.2055 34.2055 37.3828 37.3828 38.7470 38.7470 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.1778 0.0804 ( 224 PWs) bands (ev): -1.4005 -1.4005 22.0164 22.0164 25.5829 25.5829 28.9689 28.9689 36.5750 36.5750 40.9084 40.9085 42.0992 42.0993 occupation numbers 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 = 0.0769 0.1778 0.1641 ( 223 PWs) bands (ev): -0.7493 -0.7493 20.9913 20.9913 24.3597 24.3597 25.0377 25.0377 39.5748 39.5748 42.0521 42.0521 44.9044 44.9045 occupation numbers 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.1778 0.2478 ( 229 PWs) bands (ev): 0.3456 0.3456 19.9043 19.9043 20.8725 20.8725 24.1977 24.1977 41.1683 41.1683 44.0069 44.0069 45.7678 45.7678 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9563 0.9563 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.1778 0.3315 ( 233 PWs) bands (ev): 1.8729 1.8729 16.3869 16.3869 20.2241 20.2241 23.9545 23.9545 41.1686 41.1686 44.2474 44.2474 46.4825 46.4826 occupation numbers 1.0000 1.0000 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 = 0.0769 0.1778 0.4151 ( 235 PWs) bands (ev): 3.8053 3.8053 12.8502 12.8502 20.3347 20.3347 24.0956 24.0956 40.3147 40.3147 43.0821 43.0821 46.6974 46.6975 occupation numbers 1.0000 1.0000 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 = 0.0769 0.1778 0.4988 ( 233 PWs) bands (ev): 6.0050 6.0050 9.8071 9.8071 20.8628 20.8628 24.6177 24.6177 39.1743 39.1743 41.6648 41.6648 45.7377 45.7378 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.1778 0.5825 ( 231 PWs) bands (ev): 6.2276 6.2276 9.5251 9.5251 21.7823 21.7823 25.5081 25.5081 37.9380 37.9380 40.1969 40.1969 43.5381 43.5382 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.1778-0.4218 ( 232 PWs) bands (ev): 4.0307 4.0307 12.4383 12.4383 23.0560 23.0560 26.7334 26.7334 36.3866 36.3866 38.9308 38.9308 41.0999 41.0999 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.1778-0.3381 ( 231 PWs) bands (ev): 2.0563 2.0563 15.8676 15.8676 24.5813 24.5813 28.2103 28.2103 34.4286 34.4286 37.8527 37.8527 39.2435 39.2435 occupation numbers 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 = 0.0769 0.1778-0.2544 ( 226 PWs) bands (ev): 0.4842 0.4842 19.5366 19.5366 25.9948 25.9948 29.7294 29.7294 32.6715 32.6715 36.6144 36.6144 38.6440 38.6440 occupation numbers 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 = 0.0769 0.1778-0.1707 ( 224 PWs) bands (ev): -0.6565 -0.6565 23.0948 23.0948 26.3794 26.3794 30.5639 30.5639 32.5036 32.5036 36.5672 36.5672 38.5859 38.5859 occupation numbers 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 = 0.0769 0.1778-0.0870 ( 221 PWs) bands (ev): -1.3539 -1.3539 24.4877 24.4877 26.6736 26.6736 30.6161 30.6161 34.8841 34.8841 37.3972 37.3972 38.2680 38.2680 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.1778-0.0033 ( 223 PWs) bands (ev): -1.6025 -1.6025 23.2917 23.2917 26.5548 26.5548 32.2045 32.2045 34.3672 34.3672 38.2813 38.2813 40.2085 40.2085 occupation numbers 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 = 0.0769 0.2571 0.1072 ( 228 PWs) bands (ev): -0.1390 -0.1390 17.9292 17.9292 25.1260 25.1260 28.5563 28.5563 36.3881 36.3881 40.3832 40.3832 44.1726 44.1727 occupation numbers 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 = 0.0769 0.2571 0.1909 ( 230 PWs) bands (ev): 0.6478 0.6478 16.9794 16.9794 23.9862 23.9862 24.7015 24.7015 39.3053 39.3053 42.0388 42.0388 46.7917 46.7917 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.2571 0.2745 ( 233 PWs) bands (ev): 1.8729 1.8729 16.3869 16.3869 20.2241 20.2241 23.9545 23.9545 41.1686 41.1686 44.2474 44.2474 46.4824 46.4826 occupation numbers 1.0000 1.0000 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 = 0.0769 0.2571 0.3582 ( 232 PWs) bands (ev): 3.5212 3.5212 15.7071 15.7071 16.9823 16.9823 23.8303 23.8303 41.8038 41.8038 44.9033 44.9033 46.5675 46.5675 occupation numbers 1.0000 1.0000 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 = 0.0769 0.2571 0.4419 ( 230 PWs) bands (ev): 5.5527 5.5527 12.7945 12.7945 16.7537 16.7537 24.0943 24.0943 41.0390 41.0390 44.4593 44.4593 45.0342 45.0342 occupation numbers 1.0000 1.0000 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 = 0.0769 0.2571 0.5256 ( 232 PWs) bands (ev): 7.6511 7.6511 10.1263 10.1263 17.4022 17.4022 24.7366 24.7366 39.1429 39.1429 42.2198 42.2198 45.0342 45.0342 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.2571 0.6093 ( 230 PWs) bands (ev): 6.6289 6.6289 11.3134 11.3134 18.4912 18.4912 25.7329 25.7329 36.4500 36.4500 40.4757 40.4757 43.9090 43.9091 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.2571-0.3950 ( 233 PWs) bands (ev): 4.4545 4.4545 14.3763 14.3763 19.9650 19.9650 27.0113 27.0113 33.5657 33.5657 38.9043 38.9043 42.2127 42.2127 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.2571-0.3113 ( 229 PWs) bands (ev): 2.6096 2.6096 17.7483 17.7483 21.6886 21.6886 28.2933 28.2933 31.2067 31.2067 37.2074 37.2074 40.9845 40.9845 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.2571-0.2276 ( 231 PWs) bands (ev): 1.1780 1.1780 21.1159 21.1159 23.0333 23.0333 28.7997 28.7997 30.6394 30.6394 36.0101 36.0101 40.1993 40.1993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.2571-0.1439 ( 227 PWs) bands (ev): 0.1805 0.1805 22.2579 22.2579 24.5055 24.5055 30.3275 30.3275 30.7238 30.7238 36.6155 36.6155 39.3101 39.3101 occupation numbers 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 = 0.0769 0.2571-0.0602 ( 228 PWs) bands (ev): -0.3737 -0.3737 20.7798 20.7798 26.3491 26.3491 30.5644 30.5644 34.0204 34.0204 37.0678 37.0679 38.9510 38.9511 occupation numbers 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 = 0.0769 0.2571 0.0235 ( 229 PWs) bands (ev): -0.4805 -0.4805 19.2253 19.2253 26.0577 26.0577 31.8733 31.8733 34.2355 34.2355 37.7769 37.7769 41.8453 41.8453 occupation numbers 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 = 0.0769 0.3364 0.1340 ( 231 PWs) bands (ev): 1.5502 1.5502 14.1290 14.1290 25.0087 25.0087 28.4429 28.4429 35.3840 35.3840 39.2066 39.2066 45.3885 45.3886 occupation numbers 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 = 0.0769 0.3364 0.2176 ( 232 PWs) bands (ev): 2.4638 2.4638 13.2870 13.2870 23.9944 23.9944 24.7203 24.7203 38.4736 38.4736 40.6041 40.6041 47.6237 47.6237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.3364 0.3013 ( 235 PWs) bands (ev): 3.8053 3.8053 12.8502 12.8502 20.3347 20.3347 24.0956 24.0956 40.3147 40.3147 43.0821 43.0822 46.6974 46.6974 occupation numbers 1.0000 1.0000 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 = 0.0769 0.3364 0.3850 ( 230 PWs) bands (ev): 5.5527 5.5527 12.7945 12.7945 16.7537 16.7537 24.0943 24.0943 41.0390 41.0390 44.4593 44.4593 45.0342 45.0342 occupation numbers 1.0000 1.0000 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 = 0.0769 0.3364 0.4687 ( 231 PWs) bands (ev): 7.6425 7.6425 12.5918 12.5918 14.1463 14.1463 24.4747 24.4747 39.5275 39.5275 43.2613 43.2613 44.6957 44.6957 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.3364 0.5524 ( 231 PWs) bands (ev): 9.2729 9.2729 11.0603 11.0603 14.5110 14.5110 25.2147 25.2147 36.2894 36.2894 41.9355 41.9355 44.7208 44.7208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.3364 0.6361 ( 233 PWs) bands (ev): 7.3851 7.3851 13.1635 13.1635 15.9094 15.9094 26.2441 26.2441 32.9304 32.9304 40.3012 40.3012 44.1643 44.1643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.3364-0.3682 ( 230 PWs) bands (ev): 5.3068 5.3068 15.7911 15.7911 17.9896 17.9896 27.1798 27.1798 30.2804 30.2804 38.4872 38.4872 42.6467 42.6468 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.3364-0.2845 ( 230 PWs) bands (ev): 3.5996 3.5996 18.2578 18.2578 20.2934 20.2934 26.6897 26.6897 30.1476 30.1476 36.7556 36.7556 41.1062 41.1062 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.3364-0.2008 ( 230 PWs) bands (ev): 2.3111 2.3111 20.0650 20.0650 21.3166 21.3166 27.6405 27.6405 30.8664 30.8664 36.0350 36.0350 39.8507 39.8507 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.3364-0.1171 ( 229 PWs) bands (ev): 1.4567 1.4567 18.7447 18.7447 23.6298 23.6298 29.9245 29.9245 31.4091 31.4091 37.3398 37.3398 38.7367 38.7367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.3364-0.0334 ( 226 PWs) bands (ev): 1.0438 1.0438 16.9438 16.9438 25.6720 25.6720 29.7850 29.7850 34.9281 34.9281 36.5475 36.5475 40.2606 40.2606 occupation numbers 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 = 0.0769 0.3364 0.0503 ( 230 PWs) bands (ev): 1.0753 1.0753 15.3624 15.3624 25.7730 25.7730 31.1604 31.1604 33.5960 33.5960 37.7613 37.7613 42.8462 42.8464 occupation numbers 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 = 0.0769 0.4157 0.1607 ( 230 PWs) bands (ev): 3.6240 3.6240 10.7120 10.7120 25.2393 25.2393 28.6376 28.6376 34.2212 34.2212 38.0322 38.0322 46.4082 46.4082 occupation numbers 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 = 0.0769 0.4157 0.2444 ( 229 PWs) bands (ev): 4.6264 4.6264 10.0265 10.0265 24.3862 24.3862 25.1005 25.1005 37.4822 37.4822 39.1766 39.1766 47.4271 47.4272 occupation numbers 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 = 0.0769 0.4157 0.3281 ( 233 PWs) bands (ev): 6.0050 6.0050 9.8071 9.8071 20.8628 20.8628 24.6177 24.6177 39.1743 39.1743 41.6648 41.6648 45.7377 45.7378 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4157 0.4118 ( 232 PWs) bands (ev): 7.6511 7.6511 10.1263 10.1263 17.4022 17.4022 24.7366 24.7366 39.1429 39.1429 42.2198 42.2198 45.0342 45.0342 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4157 0.4955 ( 231 PWs) bands (ev): 9.2729 9.2729 11.0603 11.0603 14.5110 14.5110 25.2147 25.2147 36.2894 36.2894 41.9355 41.9355 44.7208 44.7208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4157 0.5792 ( 237 PWs) bands (ev): 10.5927 10.5927 10.7722 10.7722 14.3002 14.3002 25.9829 25.9829 32.7054 32.7054 41.0739 41.0739 44.0344 44.0344 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4157 0.6629 ( 234 PWs) bands (ev): 8.5246 8.5246 12.2619 12.2619 16.7597 16.7597 26.6107 26.6107 29.8053 29.8053 39.5294 39.5294 43.1212 43.1212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4157-0.3414 ( 231 PWs) bands (ev): 6.5799 6.5799 14.1049 14.1049 19.3254 19.3254 25.5783 25.5783 29.6716 29.6716 37.8514 37.8514 41.5658 41.5658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4157-0.2577 ( 233 PWs) bands (ev): 5.0167 5.0167 16.1803 16.1803 19.7964 19.7964 26.0793 26.0793 30.8651 30.8651 36.5054 36.5054 39.9376 39.9376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4157-0.1740 ( 231 PWs) bands (ev): 3.8712 3.8712 16.9879 16.9879 19.6161 19.6161 29.1188 29.1188 31.2982 31.2982 36.5813 36.5813 38.7204 38.7204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4157-0.0903 ( 228 PWs) bands (ev): 3.1567 3.1567 15.1857 15.1857 22.0791 22.0791 30.0031 30.0031 33.0987 33.0987 37.4457 37.4457 39.0057 39.0057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4157-0.0066 ( 230 PWs) bands (ev): 2.8783 2.8783 13.3446 13.3446 24.6952 24.6952 29.2697 29.2697 35.3432 35.3432 36.8518 36.8518 41.8918 41.8918 occupation numbers 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 = 0.0769 0.4157 0.0771 ( 229 PWs) bands (ev): 3.0361 3.0361 11.8295 11.8295 25.6980 25.6980 30.2912 30.2912 33.2269 33.2269 37.3772 37.3772 43.8839 43.8840 occupation numbers 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 = 0.0769 0.4950 0.1875 ( 223 PWs) bands (ev): 5.6799 5.6799 8.1047 8.1047 25.8001 25.8001 29.1179 29.1179 33.2664 33.2664 37.0645 37.0645 46.5755 46.5760 occupation numbers 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 = 0.0769 0.4950 0.2712 ( 226 PWs) bands (ev): 6.0278 6.0278 8.3215 8.3215 25.1480 25.1480 25.8351 25.8351 36.6090 36.6090 37.9392 37.9392 45.8211 45.8212 occupation numbers 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 = 0.0769 0.4950 0.3549 ( 231 PWs) bands (ev): 6.2276 6.2276 9.5251 9.5251 21.7823 21.7823 25.5081 25.5081 37.9380 37.9380 40.1969 40.1969 43.5381 43.5381 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4950 0.4386 ( 230 PWs) bands (ev): 6.6289 6.6289 11.3134 11.3134 18.4912 18.4912 25.7329 25.7329 36.4500 36.4500 40.4757 40.4757 43.9090 43.9091 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4950 0.5223 ( 233 PWs) bands (ev): 7.3851 7.3851 13.1635 13.1635 15.9094 15.9094 26.2441 26.2441 32.9304 32.9304 40.3012 40.3012 44.1643 44.1643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4950 0.6060 ( 234 PWs) bands (ev): 8.5246 8.5246 12.2619 12.2619 16.7597 16.7597 26.6107 26.6107 29.8053 29.8053 39.5294 39.5294 43.1212 43.1212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4950 0.6897 ( 234 PWs) bands (ev): 9.7235 9.7235 10.5126 10.5126 19.0324 19.0324 25.2266 25.2266 29.4876 29.4876 38.3027 38.3027 42.0346 42.0346 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4950-0.3146 ( 232 PWs) bands (ev): 8.2488 8.2488 12.0865 12.0865 19.1986 19.1986 25.3718 25.3718 30.7136 30.7136 37.0542 37.0542 40.5853 40.5853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4950-0.2309 ( 230 PWs) bands (ev): 6.8381 6.8381 14.1195 14.1195 17.2694 17.2694 28.2811 28.2811 31.7624 31.7624 36.4161 36.4161 39.0407 39.0407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4950-0.1472 ( 230 PWs) bands (ev): 5.8285 5.8285 13.8762 13.8762 17.7813 17.7813 31.1794 31.1794 32.0376 32.0376 36.9944 36.9944 38.4520 38.4520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4950-0.0635 ( 232 PWs) bands (ev): 5.2348 5.2348 11.9036 11.9036 20.5960 20.5960 30.2957 30.2957 34.3188 34.3188 37.6256 37.6256 40.3102 40.3102 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4950 0.0201 ( 226 PWs) bands (ev): 5.0510 5.0510 10.1503 10.1503 23.6583 23.6583 29.3240 29.3240 34.6202 34.6202 38.1143 38.1143 42.8485 42.8486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769 0.4950 0.1038 ( 228 PWs) bands (ev): 5.2418 5.2418 8.8292 8.8292 25.7320 25.7320 29.6938 29.6938 33.1319 33.1319 36.9817 36.9817 45.0908 45.0909 occupation numbers 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 = 0.0769-0.4565-0.1340 ( 228 PWs) bands (ev): 4.4506 4.4506 9.5812 9.5812 26.6362 26.6362 29.8233 29.8233 32.6837 32.6837 36.4211 36.4211 45.1512 45.1512 occupation numbers 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 = 0.0769-0.4565-0.0503 ( 232 PWs) bands (ev): 4.0336 4.0336 10.8056 10.8056 26.2394 26.2394 26.8993 26.8993 35.9850 35.9851 36.8936 36.8936 43.3058 43.3058 occupation numbers 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 = 0.0769-0.4565 0.0334 ( 232 PWs) bands (ev): 4.0307 4.0307 12.4383 12.4383 23.0560 23.0560 26.7334 26.7334 36.3866 36.3866 38.9308 38.9308 41.0999 41.0999 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.4565 0.1171 ( 233 PWs) bands (ev): 4.4545 4.4545 14.3763 14.3763 19.9650 19.9650 27.0113 27.0113 33.5657 33.5657 38.9043 38.9043 42.2127 42.2127 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.4565 0.2008 ( 230 PWs) bands (ev): 5.3068 5.3068 15.7911 15.7911 17.9896 17.9896 27.1798 27.1798 30.2804 30.2804 38.4872 38.4872 42.6468 42.6468 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.4565 0.2845 ( 231 PWs) bands (ev): 6.5799 6.5799 14.1049 14.1049 19.3254 19.3254 25.5783 25.5783 29.6716 29.6716 37.8514 37.8514 41.5658 41.5658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.4565 0.3682 ( 232 PWs) bands (ev): 8.2488 8.2488 12.0865 12.0865 19.1986 19.1986 25.3718 25.3718 30.7136 30.7136 37.0542 37.0542 40.5853 40.5853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.4565-0.6361 ( 235 PWs) bands (ev): 9.9858 9.9858 10.6730 10.6730 16.7954 16.7954 27.9940 27.9940 31.8876 31.8876 36.4061 36.4061 39.6572 39.6572 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.4565-0.5524 ( 236 PWs) bands (ev): 8.9799 8.9799 12.1884 12.1884 14.7637 14.7637 31.2474 31.2474 32.3290 32.3290 36.6037 36.6037 38.5886 38.5886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.4565-0.4687 ( 233 PWs) bands (ev): 8.0065 8.0065 11.1030 11.1030 16.3465 16.3465 31.7409 31.7409 33.8534 33.8534 37.4726 37.4726 38.8603 38.8603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.4565-0.3850 ( 229 PWs) bands (ev): 7.2181 7.2181 9.4532 9.4532 19.4221 19.4221 30.7409 30.7409 34.3060 34.3060 39.4342 39.4342 40.5831 40.5831 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.4565-0.3013 ( 226 PWs) bands (ev): 6.2764 6.2764 8.6818 8.6818 22.7897 22.7897 29.8140 29.8140 34.0139 34.0139 39.1467 39.1467 43.1082 43.1082 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.4565-0.2176 ( 228 PWs) bands (ev): 5.2418 5.2418 8.8292 8.8292 25.7320 25.7320 29.6938 29.6938 33.1319 33.1319 36.9817 36.9817 45.0908 45.0908 occupation numbers 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 = 0.0769-0.3772-0.1072 ( 230 PWs) bands (ev): 2.2722 2.2722 12.7975 12.7975 27.6268 27.6268 30.6537 30.6537 32.5631 32.5631 36.1478 36.1478 43.0779 43.0779 occupation numbers 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 = 0.0769-0.3772-0.0235 ( 229 PWs) bands (ev): 1.9440 1.9440 14.1605 14.1605 27.5554 27.5554 28.2337 28.2337 35.6637 35.6637 35.9748 35.9748 40.7059 40.7059 occupation numbers 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 = 0.0769-0.3772 0.0602 ( 231 PWs) bands (ev): 2.0563 2.0563 15.8676 15.8676 24.5813 24.5813 28.2103 28.2103 34.4286 34.4286 37.8527 37.8527 39.2435 39.2435 occupation numbers 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 = 0.0769-0.3772 0.1439 ( 229 PWs) bands (ev): 2.6096 2.6096 17.7483 17.7483 21.6887 21.6887 28.2933 28.2933 31.2067 31.2067 37.2074 37.2074 40.9845 40.9845 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.3772 0.2276 ( 230 PWs) bands (ev): 3.5996 3.5996 18.2578 18.2578 20.2934 20.2934 26.6897 26.6897 30.1476 30.1476 36.7556 36.7556 41.1062 41.1062 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.3772 0.3113 ( 233 PWs) bands (ev): 5.0167 5.0167 16.1803 16.1803 19.7964 19.7964 26.0793 26.0793 30.8651 30.8651 36.5054 36.5054 39.9376 39.9376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.3772 0.3950 ( 230 PWs) bands (ev): 6.8381 6.8381 14.1195 14.1195 17.2694 17.2694 28.2811 28.2811 31.7624 31.7624 36.4161 36.4161 39.0407 39.0407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.3772-0.6093 ( 236 PWs) bands (ev): 8.9799 8.9799 12.1884 12.1884 14.7637 14.7637 31.2474 31.2474 32.3290 32.3290 36.6037 36.6037 38.5886 38.5886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.3772-0.5256 ( 233 PWs) bands (ev): 9.7928 9.7928 11.3748 11.3748 13.5030 13.5030 32.2075 32.2075 34.1121 34.1121 37.5305 37.5305 37.8977 37.8977 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.3772-0.4419 ( 235 PWs) bands (ev): 7.7429 7.7429 11.4221 11.4221 15.3914 15.3914 31.7467 31.7467 35.1012 35.1012 38.0624 38.0624 39.5021 39.5021 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.3772-0.3582 ( 232 PWs) bands (ev): 5.8122 5.8122 11.1546 11.1546 18.6304 18.6304 31.1407 31.1407 34.4092 34.4092 39.3953 39.3953 41.9224 41.9224 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.3772-0.2745 ( 229 PWs) bands (ev): 4.2241 4.2241 11.2789 11.2789 22.2138 22.2138 30.5253 30.5253 33.8270 33.8270 39.5758 39.5758 42.9757 42.9757 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.3772-0.1909 ( 229 PWs) bands (ev): 3.0361 3.0361 11.8295 11.8295 25.6980 25.6980 30.2912 30.2912 33.2269 33.2269 37.3772 37.3772 43.8839 43.8840 occupation numbers 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 = 0.0769-0.2979-0.0804 ( 229 PWs) bands (ev): 0.4328 0.4328 16.4378 16.4378 28.5610 28.5610 31.5042 31.5042 32.8722 32.8722 36.1852 36.1852 41.3172 41.3172 occupation numbers 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 = 0.0769-0.2979 0.0033 ( 229 PWs) bands (ev): 0.2352 0.2352 17.8615 17.8615 28.8108 28.8108 29.6674 29.6674 35.1745 35.1745 35.6655 35.6655 38.6557 38.6557 occupation numbers 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 = 0.0769-0.2979 0.0870 ( 226 PWs) bands (ev): 0.4842 0.4842 19.5366 19.5366 25.9948 25.9948 29.7294 29.7294 32.6715 32.6715 36.6144 36.6144 38.6440 38.6440 occupation numbers 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 = 0.0769-0.2979 0.1707 ( 231 PWs) bands (ev): 1.1780 1.1780 21.1159 21.1159 23.0333 23.0333 28.7997 28.7997 30.6394 30.6394 36.0101 36.0101 40.1993 40.1993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2979 0.2544 ( 230 PWs) bands (ev): 2.3111 2.3111 20.0650 20.0650 21.3166 21.3166 27.6405 27.6405 30.8664 30.8664 36.0350 36.0350 39.8507 39.8507 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2979 0.3381 ( 231 PWs) bands (ev): 3.8712 3.8712 16.9879 16.9879 19.6161 19.6161 29.1188 29.1188 31.2982 31.2982 36.5813 36.5813 38.7204 38.7204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2979 0.4218 ( 230 PWs) bands (ev): 5.8285 5.8285 13.8762 13.8762 17.7813 17.7813 31.1794 31.1794 32.0376 32.0376 36.9944 36.9944 38.4520 38.4520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2979-0.5825 ( 233 PWs) bands (ev): 8.0065 8.0065 11.1030 11.1030 16.3465 16.3465 31.7409 31.7409 33.8534 33.8534 37.4726 37.4726 38.8603 38.8603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2979-0.4988 ( 235 PWs) bands (ev): 7.7429 7.7429 11.4221 11.4221 15.3914 15.3914 31.7467 31.7467 35.1012 35.1012 38.0624 38.0624 39.5021 39.5021 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2979-0.4151 ( 227 PWs) bands (ev): 5.5694 5.5694 13.8755 13.8755 15.3867 15.3867 31.5447 31.5447 35.9409 35.9409 37.1107 37.1107 42.0681 42.0681 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2979-0.3315 ( 227 PWs) bands (ev): 3.6640 3.6640 14.3370 14.3370 18.2712 18.2712 31.3290 31.3290 35.1674 35.1674 38.0610 38.0610 44.2522 44.2522 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2979-0.2478 ( 231 PWs) bands (ev): 2.1565 2.1565 14.6674 14.6674 21.9871 21.9871 31.1616 31.1616 34.2961 34.2961 39.0477 39.0477 43.1070 43.1071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2979-0.1641 ( 230 PWs) bands (ev): 1.0753 1.0753 15.3624 15.3624 25.7730 25.7730 31.1604 31.1604 33.5960 33.5960 37.7613 37.7613 42.8462 42.8463 occupation numbers 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 = 0.0769-0.2186-0.0536 ( 224 PWs) bands (ev): -0.9882 -0.9882 20.3580 20.3580 29.2230 29.2230 32.1062 32.1062 33.3786 33.3786 36.4373 36.4373 40.4209 40.4210 occupation numbers 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 = 0.0769-0.2186 0.0301 ( 223 PWs) bands (ev): -1.0470 -1.0470 21.7411 21.7411 29.3516 29.3516 30.6370 30.6370 35.0269 35.0269 35.9749 35.9749 37.9479 37.9479 occupation numbers 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 = 0.0769-0.2186 0.1138 ( 224 PWs) bands (ev): -0.6565 -0.6565 23.0948 23.0948 26.3794 26.3794 30.5639 30.5639 32.5036 32.5036 36.5672 36.5672 38.5859 38.5859 occupation numbers 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 = 0.0769-0.2186 0.1975 ( 227 PWs) bands (ev): 0.1805 0.1805 22.2579 22.2579 24.5055 24.5055 30.3275 30.3275 30.7238 30.7238 36.6155 36.6155 39.3101 39.3101 occupation numbers 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 = 0.0769-0.2186 0.2812 ( 229 PWs) bands (ev): 1.4567 1.4567 18.7447 18.7447 23.6298 23.6298 29.9245 29.9245 31.4091 31.4091 37.3398 37.3398 38.7367 38.7367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2186 0.3649 ( 228 PWs) bands (ev): 3.1567 3.1567 15.1857 15.1857 22.0791 22.0791 30.0031 30.0031 33.0987 33.0987 37.4457 37.4457 39.0057 39.0057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2186 0.4486 ( 232 PWs) bands (ev): 5.2348 5.2348 11.9036 11.9036 20.5960 20.5960 30.2957 30.2957 34.3188 34.3188 37.6256 37.6256 40.3102 40.3102 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2186-0.5557 ( 229 PWs) bands (ev): 7.2181 7.2181 9.4532 9.4532 19.4221 19.4221 30.7409 30.7409 34.3060 34.3060 39.4342 39.4342 40.5831 40.5831 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2186-0.4720 ( 232 PWs) bands (ev): 5.8122 5.8122 11.1546 11.1546 18.6304 18.6304 31.1407 31.1407 34.4092 34.4092 39.3953 39.3953 41.9224 41.9224 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2186-0.3884 ( 227 PWs) bands (ev): 3.6640 3.6640 14.3370 14.3370 18.2712 18.2712 31.3290 31.3290 35.1674 35.1674 38.0610 38.0610 44.2522 44.2522 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2186-0.3047 ( 226 PWs) bands (ev): 1.8602 1.8602 17.4539 17.4539 18.7879 18.7879 31.4329 31.4329 35.8907 35.8907 37.4205 37.4205 43.5453 43.5453 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2186-0.2210 ( 226 PWs) bands (ev): 0.4721 0.4721 18.4012 18.4012 22.1428 22.1428 31.5932 31.5932 35.2113 35.2113 38.3631 38.3631 41.7363 41.7364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.2186-0.1373 ( 229 PWs) bands (ev): -0.4805 -0.4805 19.2253 19.2253 26.0577 26.0577 31.8733 31.8733 34.2355 34.2355 37.7769 37.7769 41.8453 41.8453 occupation numbers 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 = 0.0769-0.1394-0.0268 ( 221 PWs) bands (ev): -1.9707 -1.9707 24.3576 24.3576 29.4831 29.4831 31.9465 31.9465 33.9039 33.9039 37.2372 37.2373 38.3713 38.3714 occupation numbers 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.1394 0.0569 ( 222 PWs) bands (ev): -1.8876 -1.8876 25.3536 25.3536 28.7090 28.7090 30.7075 30.7075 36.3773 36.3773 36.5709 36.5709 37.7486 37.7486 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.1394 0.1406 ( 221 PWs) bands (ev): -1.3539 -1.3539 24.4877 24.4877 26.6736 26.6736 30.6161 30.6161 34.8841 34.8841 37.3972 37.3972 38.2680 38.2680 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.1394 0.2243 ( 228 PWs) bands (ev): -0.3737 -0.3737 20.7798 20.7798 26.3491 26.3491 30.5644 30.5644 34.0204 34.0204 37.0678 37.0678 38.9510 38.9510 occupation numbers 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 = 0.0769-0.1394 0.3080 ( 226 PWs) bands (ev): 1.0438 1.0438 16.9438 16.9438 25.6720 25.6720 29.7850 29.7850 34.9281 34.9281 36.5475 36.5475 40.2605 40.2606 occupation numbers 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 = 0.0769-0.1394 0.3917 ( 230 PWs) bands (ev): 2.8783 2.8783 13.3446 13.3446 24.6952 24.6952 29.2697 29.2697 35.3432 35.3432 36.8518 36.8518 41.8918 41.8918 occupation numbers 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 = 0.0769-0.1394 0.4754 ( 226 PWs) bands (ev): 5.0510 5.0510 10.1503 10.1503 23.6583 23.6583 29.3240 29.3240 34.6202 34.6202 38.1143 38.1143 42.8485 42.8486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.1394-0.5290 ( 226 PWs) bands (ev): 6.2764 6.2764 8.6818 8.6818 22.7897 22.7897 29.8140 29.8140 34.0139 34.0139 39.1467 39.1467 43.1082 43.1082 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.1394-0.4453 ( 229 PWs) bands (ev): 4.2241 4.2241 11.2789 11.2789 22.2138 22.2138 30.5253 30.5253 33.8270 33.8270 39.5758 39.5758 42.9757 42.9757 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.1394-0.3616 ( 231 PWs) bands (ev): 2.1565 2.1565 14.6674 14.6674 21.9871 21.9871 31.1616 31.1616 34.2961 34.2961 39.0477 39.0477 43.1070 43.1073 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.1394-0.2779 ( 226 PWs) bands (ev): 0.4721 0.4721 18.4012 18.4012 22.1428 22.1428 31.5932 31.5932 35.2113 35.2113 38.3631 38.3631 41.7363 41.7363 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.1394-0.1942 ( 224 PWs) bands (ev): -0.7859 -0.7859 22.0338 22.0338 22.9993 22.9993 31.9372 31.9372 35.2959 35.2959 38.8659 38.8659 39.9926 39.9926 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.1394-0.1105 ( 223 PWs) bands (ev): -1.6025 -1.6025 23.2917 23.2917 26.5548 26.5548 32.2045 32.2045 34.3672 34.3672 38.2813 38.2813 40.2085 40.2085 occupation numbers 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 = 0.0769-0.0601 0.0000 ( 221 PWs) bands (ev): -2.5055 -2.5055 27.3665 27.3665 29.8535 29.8535 31.5001 31.5001 34.2590 34.2590 35.3216 35.3216 38.6204 38.6204 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.0601 0.0837 ( 222 PWs) bands (ev): -2.2794 -2.2794 26.9696 26.9696 27.4494 27.4494 31.9557 31.9557 34.2055 34.2055 37.3828 37.3828 38.7470 38.7470 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0769-0.0601 0.1674 ( 223 PWs) bands (ev): -1.6025 -1.6025 23.2917 23.2917 26.5548 26.5548 32.2045 32.2045 34.3672 34.3672 38.2813 38.2813 40.2085 40.2085 occupation numbers 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 = 0.0769-0.0601 0.2511 ( 229 PWs) bands (ev): -0.4805 -0.4805 19.2253 19.2253 26.0577 26.0577 31.8733 31.8733 34.2355 34.2355 37.7769 37.7769 41.8453 41.8453 occupation numbers 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 = 0.0769-0.0601 0.3348 ( 230 PWs) bands (ev): 1.0753 1.0753 15.3624 15.3624 25.7730 25.7730 31.1604 31.1604 33.5960 33.5960 37.7613 37.7613 42.8462 42.8463 occupation numbers 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 = 0.0769-0.0601 0.4185 ( 229 PWs) bands (ev): 3.0361 3.0361 11.8295 11.8295 25.6980 25.6980 30.2912 30.2912 33.2269 33.2269 37.3772 37.3772 43.8839 43.8839 occupation numbers 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 = 0.0769-0.0601 0.5022 ( 228 PWs) bands (ev): 5.2418 5.2418 8.8292 8.8292 25.7320 25.7320 29.6938 29.6938 33.1319 33.1319 36.9817 36.9817 45.0908 45.0908 occupation numbers 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 = 0.0769-0.0601-0.5022 ( 228 PWs) bands (ev): 5.2418 5.2418 8.8292 8.8292 25.7320 25.7320 29.6938 29.6938 33.1319 33.1319 36.9817 36.9817 45.0908 45.0908 occupation numbers 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 = 0.0769-0.0601-0.4185 ( 229 PWs) bands (ev): 3.0361 3.0361 11.8295 11.8295 25.6980 25.6980 30.2912 30.2912 33.2269 33.2269 37.3772 37.3772 43.8839 43.8841 occupation numbers 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 = 0.0769-0.0601-0.3348 ( 230 PWs) bands (ev): 1.0753 1.0753 15.3624 15.3624 25.7730 25.7730 31.1604 31.1604 33.5960 33.5960 37.7613 37.7613 42.8462 42.8463 occupation numbers 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 = 0.0769-0.0601-0.2511 ( 229 PWs) bands (ev): -0.4805 -0.4805 19.2253 19.2253 26.0577 26.0577 31.8733 31.8733 34.2355 34.2355 37.7769 37.7769 41.8453 41.8453 occupation numbers 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 = 0.0769-0.0601-0.1674 ( 223 PWs) bands (ev): -1.6025 -1.6025 23.2917 23.2917 26.5548 26.5548 32.2045 32.2045 34.3672 34.3672 38.2813 38.2813 40.2085 40.2088 occupation numbers 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 = 0.0769-0.0601-0.0837 ( 222 PWs) bands (ev): -2.2794 -2.2794 26.9696 26.9696 27.4494 27.4494 31.9557 31.9557 34.2055 34.2055 37.3828 37.3828 38.7470 38.7470 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.0385 0.0536 ( 220 PWs) bands (ev): -1.9109 -1.9109 23.1108 23.1108 29.3171 29.3171 30.1978 30.1978 34.2698 34.2698 39.1692 39.1692 40.0016 40.0017 occupation numbers 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 = 0.1538 0.0385 0.1373 ( 224 PWs) bands (ev): -1.4005 -1.4005 22.0164 22.0164 25.5829 25.5829 28.9689 28.9689 36.5750 36.5750 40.9084 40.9084 42.0992 42.0993 occupation numbers 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 = 0.1538 0.0385 0.2210 ( 226 PWs) bands (ev): -0.4432 -0.4432 20.8087 20.8087 21.8317 21.8317 28.3722 28.3722 37.8158 37.8158 42.2169 42.2169 43.7079 43.7079 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.0385 0.3047 ( 223 PWs) bands (ev): 0.9518 0.9518 17.2132 17.2132 21.0461 21.0461 28.0652 28.0652 37.7620 37.7620 41.7820 41.7820 44.7350 44.7351 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.0385 0.3884 ( 231 PWs) bands (ev): 2.7648 2.7648 13.5586 13.5586 21.0240 21.0240 28.0819 28.0819 36.7179 36.7179 41.6900 41.6900 44.6956 44.6956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.0385 0.4720 ( 230 PWs) bands (ev): 4.9241 4.9241 10.3114 10.3114 21.4148 21.4148 28.4276 28.4276 35.5292 35.5292 40.9763 40.9763 44.7865 44.7865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.0385 0.5557 ( 228 PWs) bands (ev): 6.3265 6.3265 8.6068 8.6068 22.1933 22.1933 29.0757 29.0757 34.5580 34.5580 39.7864 39.7864 44.1964 44.1966 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.0385-0.4486 ( 229 PWs) bands (ev): 4.3348 4.3348 11.0837 11.0837 23.3293 23.3293 29.9485 29.9485 33.9124 33.9124 38.3482 38.3482 42.7520 42.7520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.0385-0.3649 ( 228 PWs) bands (ev): 2.2479 2.2479 14.4233 14.4233 24.7488 24.7488 30.8691 30.8691 33.5574 33.5574 36.8252 36.8252 41.4560 41.4560 occupation numbers 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 = 0.1538 0.0385-0.2812 ( 225 PWs) bands (ev): 0.5412 0.5412 18.0950 18.0950 26.2234 26.2234 31.5682 31.5682 33.0982 33.0982 36.0667 36.0667 40.5888 40.5888 occupation numbers 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 = 0.1538 0.0385-0.1975 ( 223 PWs) bands (ev): -0.7395 -0.7395 21.9005 21.9005 27.0551 27.0551 31.8921 31.8921 32.9444 32.9444 36.2911 36.2911 40.2055 40.2055 occupation numbers 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 = 0.1538 0.0385-0.1138 ( 220 PWs) bands (ev): -1.5792 -1.5792 24.8638 24.8638 27.2829 27.2829 31.8130 31.8130 34.4983 34.4984 36.1262 36.1262 39.3817 39.3818 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.0385-0.0301 ( 221 PWs) bands (ev): -1.9707 -1.9707 24.3576 24.3576 29.4831 29.4831 31.9465 31.9465 33.9039 33.9039 37.2372 37.2372 38.3713 38.3713 occupation numbers 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.1177 0.0804 ( 224 PWs) bands (ev): -1.4005 -1.4005 22.0164 22.0164 25.5829 25.5829 28.9689 28.9689 36.5750 36.5750 40.9084 40.9085 42.0992 42.0993 occupation numbers 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 = 0.1538 0.1177 0.1641 ( 223 PWs) bands (ev): -0.7493 -0.7493 20.9913 20.9913 24.3597 24.3597 25.0377 25.0377 39.5748 39.5748 42.0521 42.0521 44.9045 44.9045 occupation numbers 1.0000 1.0000 1.0000 1.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.1177 0.2478 ( 229 PWs) bands (ev): 0.3456 0.3456 19.9043 19.9043 20.8725 20.8725 24.1977 24.1977 41.1683 41.1683 44.0069 44.0069 45.7678 45.7679 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9563 0.9563 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.1177 0.3315 ( 233 PWs) bands (ev): 1.8729 1.8729 16.3869 16.3869 20.2241 20.2241 23.9545 23.9545 41.1686 41.1686 44.2474 44.2474 46.4824 46.4825 occupation numbers 1.0000 1.0000 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 = 0.1538 0.1177 0.4151 ( 235 PWs) bands (ev): 3.8053 3.8053 12.8502 12.8502 20.3347 20.3347 24.0956 24.0956 40.3147 40.3147 43.0821 43.0821 46.6974 46.6974 occupation numbers 1.0000 1.0000 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 = 0.1538 0.1177 0.4988 ( 233 PWs) bands (ev): 6.0050 6.0050 9.8071 9.8071 20.8628 20.8628 24.6177 24.6177 39.1743 39.1743 41.6648 41.6648 45.7378 45.7378 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.1177 0.5825 ( 231 PWs) bands (ev): 6.2276 6.2276 9.5251 9.5251 21.7823 21.7823 25.5081 25.5081 37.9380 37.9380 40.1969 40.1969 43.5381 43.5381 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.1177-0.4218 ( 232 PWs) bands (ev): 4.0307 4.0307 12.4383 12.4383 23.0560 23.0560 26.7334 26.7334 36.3866 36.3866 38.9308 38.9308 41.0999 41.0999 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.1177-0.3381 ( 231 PWs) bands (ev): 2.0563 2.0563 15.8676 15.8676 24.5813 24.5813 28.2103 28.2103 34.4286 34.4286 37.8527 37.8527 39.2435 39.2435 occupation numbers 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 = 0.1538 0.1177-0.2544 ( 226 PWs) bands (ev): 0.4842 0.4842 19.5366 19.5366 25.9948 25.9948 29.7294 29.7294 32.6715 32.6715 36.6144 36.6144 38.6440 38.6440 occupation numbers 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 = 0.1538 0.1177-0.1707 ( 224 PWs) bands (ev): -0.6565 -0.6565 23.0948 23.0948 26.3794 26.3794 30.5639 30.5639 32.5036 32.5036 36.5672 36.5672 38.5859 38.5859 occupation numbers 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 = 0.1538 0.1177-0.0870 ( 221 PWs) bands (ev): -1.3539 -1.3539 24.4877 24.4877 26.6736 26.6736 30.6161 30.6161 34.8841 34.8841 37.3972 37.3972 38.2680 38.2680 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.1177-0.0033 ( 223 PWs) bands (ev): -1.6025 -1.6025 23.2917 23.2917 26.5548 26.5548 32.2045 32.2045 34.3672 34.3672 38.2813 38.2813 40.2085 40.2085 occupation numbers 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 = 0.1538 0.1970 0.1072 ( 226 PWs) bands (ev): -0.4432 -0.4432 20.8087 20.8087 21.8317 21.8317 28.3722 28.3722 37.8158 37.8158 42.2169 42.2169 43.7079 43.7084 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.1970 0.1909 ( 229 PWs) bands (ev): 0.3456 0.3456 19.9043 19.9043 20.8725 20.8725 24.1977 24.1977 41.1683 41.1683 44.0069 44.0069 45.7678 45.7678 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9563 0.9563 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.1970 0.2745 ( 240 PWs) bands (ev): 1.5736 1.5736 19.3465 19.3465 19.3965 19.3965 21.0845 21.0845 44.3888 44.3888 44.4630 44.4630 47.7902 47.7902 occupation numbers 1.0000 1.0000 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 = 0.1538 0.1970 0.3582 ( 240 PWs) bands (ev): 3.2260 3.2260 15.9298 15.9298 19.2297 19.2297 20.5998 20.5998 44.3421 44.3422 45.4100 45.4100 48.2113 48.2136 occupation numbers 1.0000 1.0000 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 = 0.1538 0.1970 0.4419 ( 237 PWs) bands (ev): 5.2628 5.2628 12.5534 12.5534 19.4846 19.4846 20.8363 20.8363 43.4984 43.4984 43.8147 43.8147 46.8572 46.8572 occupation numbers 1.0000 1.0000 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 = 0.1538 0.1970 0.5256 ( 232 PWs) bands (ev): 7.3617 7.3617 9.8598 9.8598 20.1299 20.1299 21.5201 21.5201 41.1310 41.1310 43.0530 43.0530 44.1518 44.1518 occupation numbers 1.0000 1.0000 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 = 0.1538 0.1970 0.6093 ( 233 PWs) bands (ev): 6.3312 6.3312 11.0630 11.0630 21.1412 21.1412 22.6244 22.6244 38.5514 38.5514 40.7187 40.7187 42.5188 42.5189 occupation numbers 1.0000 1.0000 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 = 0.1538 0.1970-0.3950 ( 232 PWs) bands (ev): 4.1539 4.1539 14.1586 14.1586 22.4538 22.4538 24.1375 24.1375 35.9012 35.9012 37.5089 37.5089 42.0159 42.0159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9995 0.9995 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.1970-0.3113 ( 227 PWs) bands (ev): 2.3065 2.3065 17.5979 17.5979 23.8859 23.8859 26.0281 26.0281 33.3973 33.3973 34.7805 34.7805 41.7667 41.7667 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.1970-0.2276 ( 227 PWs) bands (ev): 0.8732 0.8732 21.0961 21.0961 24.9101 24.9101 28.0408 28.0408 31.5803 31.5803 33.1834 33.1834 41.7628 41.7628 occupation numbers 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 = 0.1538 0.1970-0.1439 ( 227 PWs) bands (ev): -0.1252 -0.1252 23.8735 23.8735 24.6866 24.6866 28.8267 28.8267 32.5743 32.5743 33.6016 33.6016 41.7461 41.7461 occupation numbers 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 = 0.1538 0.1970-0.0602 ( 226 PWs) bands (ev): -0.6796 -0.6796 23.4497 23.4497 24.1360 24.1360 30.5084 30.5084 35.7913 35.7913 35.9040 35.9040 37.9667 37.9667 occupation numbers 1.0000 1.0000 1.0000 1.0000 0.9995 0.9995 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.1970 0.0235 ( 224 PWs) bands (ev): -0.7859 -0.7859 22.0338 22.0338 22.9993 22.9993 31.9372 31.9372 35.2959 35.2959 38.8659 38.8659 39.9926 39.9926 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.2763 0.1340 ( 223 PWs) bands (ev): 0.9518 0.9518 17.2132 17.2132 21.0461 21.0461 28.0652 28.0652 37.7620 37.7620 41.7820 41.7820 44.7350 44.7351 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.2763 0.2176 ( 233 PWs) bands (ev): 1.8729 1.8729 16.3869 16.3869 20.2241 20.2241 23.9545 23.9545 41.1686 41.1686 44.2474 44.2474 46.4824 46.4825 occupation numbers 1.0000 1.0000 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 = 0.1538 0.2763 0.3013 ( 240 PWs) bands (ev): 3.2260 3.2260 15.9298 15.9298 19.2297 19.2297 20.5998 20.5998 44.3421 44.3421 45.4100 45.4100 48.2121 48.2131 occupation numbers 1.0000 1.0000 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 = 0.1538 0.2763 0.3850 ( 237 PWs) bands (ev): 4.9913 4.9913 15.4136 15.4136 16.5583 16.5583 20.1036 20.1036 44.7581 44.7581 46.6828 46.6828 46.9349 46.9349 occupation numbers 1.0000 1.0000 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 = 0.1538 0.2763 0.4687 ( 238 PWs) bands (ev): 7.1058 7.1058 12.6422 12.6422 16.5197 16.5197 20.4634 20.4634 42.3340 42.3340 45.1819 45.1819 46.2614 46.2614 occupation numbers 1.0000 1.0000 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 = 0.1538 0.2763 0.5524 ( 237 PWs) bands (ev): 8.6930 8.6930 10.7158 10.7158 17.3037 17.3037 21.2665 21.2665 39.0714 39.0714 42.2212 42.2212 45.6530 45.6530 occupation numbers 1.0000 1.0000 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 = 0.1538 0.2763 0.6361 ( 233 PWs) bands (ev): 6.7939 6.7939 12.9789 12.9789 18.5112 18.5112 22.4759 22.4759 35.7188 35.7188 39.0160 39.0160 44.9691 44.9691 occupation numbers 1.0000 1.0000 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 = 0.1538 0.2763-0.3682 ( 233 PWs) bands (ev): 4.7086 4.7086 16.0860 16.0860 20.0638 20.0638 24.0591 24.0591 32.6093 32.6093 35.9794 35.9794 44.3639 44.3640 occupation numbers 1.0000 1.0000 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 = 0.1538 0.2763-0.2845 ( 231 PWs) bands (ev): 2.9968 2.9968 19.3163 19.3163 21.7046 21.7046 25.9329 25.9329 30.1537 30.1537 33.4599 33.4599 43.8675 43.8676 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.2763-0.2008 ( 230 PWs) bands (ev): 1.7055 1.7055 22.1658 22.1658 22.5481 22.5481 27.6350 27.6350 29.3766 29.3766 32.3387 32.3387 43.3365 43.3365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.2763-0.1171 ( 228 PWs) bands (ev): 0.8502 0.8502 21.4561 21.4561 23.9530 23.9530 28.3204 28.3204 31.5524 31.5524 33.9726 33.9726 41.5708 41.5709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.2763-0.0334 ( 229 PWs) bands (ev): 0.4381 0.4381 19.8851 19.8851 23.3676 23.3676 30.3823 30.3823 34.7095 34.7095 37.4902 37.4902 37.9368 37.9368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.2763 0.0503 ( 226 PWs) bands (ev): 0.4721 0.4721 18.4012 18.4012 22.1428 22.1428 31.5932 31.5932 35.2113 35.2113 38.3631 38.3631 41.7363 41.7363 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.3556 0.1607 ( 231 PWs) bands (ev): 2.7648 2.7648 13.5586 13.5586 21.0240 21.0240 28.0819 28.0819 36.7179 36.7179 41.6900 41.6900 44.6956 44.6956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.3556 0.2444 ( 235 PWs) bands (ev): 3.8053 3.8053 12.8502 12.8502 20.3347 20.3347 24.0956 24.0956 40.3147 40.3147 43.0821 43.0821 46.6974 46.6974 occupation numbers 1.0000 1.0000 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 = 0.1538 0.3556 0.3281 ( 237 PWs) bands (ev): 5.2628 5.2628 12.5534 12.5534 19.4846 19.4846 20.8363 20.8363 43.4984 43.4984 43.8147 43.8147 46.8572 46.8572 occupation numbers 1.0000 1.0000 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 = 0.1538 0.3556 0.4118 ( 238 PWs) bands (ev): 7.1058 7.1058 12.6422 12.6422 16.5197 16.5197 20.4634 20.4634 42.3340 42.3340 45.1819 45.1819 46.2613 46.2615 occupation numbers 1.0000 1.0000 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 = 0.1538 0.3556 0.4955 ( 236 PWs) bands (ev): 9.2280 9.2280 12.5536 12.5536 14.1738 14.1738 20.9485 20.9485 39.0195 39.0195 44.2648 44.2649 44.9542 44.9542 occupation numbers 1.0000 1.0000 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 = 0.1538 0.3556 0.5792 ( 233 PWs) bands (ev): 9.8184 9.8184 12.1448 12.1448 14.8064 14.8064 21.8655 21.8655 35.3069 35.3069 41.4815 41.4815 44.2690 44.2690 occupation numbers 1.0000 1.0000 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 = 0.1538 0.3556 0.6629 ( 234 PWs) bands (ev): 7.6545 7.6545 14.3936 14.3936 16.6108 16.6108 23.1608 23.1608 31.8075 31.8075 38.3384 38.3384 43.8647 43.8647 occupation numbers 1.0000 1.0000 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 = 0.1538 0.3556-0.3414 ( 236 PWs) bands (ev): 5.6920 5.6920 16.6068 16.6068 19.0550 19.0550 24.7380 24.7380 28.9481 28.9481 35.4162 35.4162 43.4825 43.4825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.3556-0.2577 ( 233 PWs) bands (ev): 4.1214 4.1214 18.7581 18.7581 20.8605 20.8605 26.3307 26.3307 27.8222 27.8222 33.1851 33.1851 43.0377 43.0377 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.3556-0.1740 ( 232 PWs) bands (ev): 2.9735 2.9735 19.5051 19.5051 21.6956 21.6956 27.5985 27.5985 29.0871 29.0871 33.0135 33.0135 42.4406 42.4406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.3556-0.0903 ( 228 PWs) bands (ev): 2.2603 2.2603 17.8873 17.8873 23.2786 23.2786 27.5124 27.5124 32.1501 32.1501 35.6655 35.6655 41.0068 41.0068 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.3556-0.0066 ( 229 PWs) bands (ev): 1.9875 1.9875 16.1418 16.1418 23.0475 23.0475 29.2503 29.2503 35.2115 35.2115 37.8579 37.8579 39.5941 39.5942 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.3556 0.0771 ( 231 PWs) bands (ev): 2.1565 2.1565 14.6674 14.6674 21.9871 21.9871 31.1616 31.1616 34.2961 34.2961 39.0477 39.0477 43.1071 43.1071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.4349 0.1875 ( 230 PWs) bands (ev): 4.9241 4.9241 10.3114 10.3114 21.4148 21.4148 28.4276 28.4276 35.5292 35.5292 40.9763 40.9763 44.7865 44.7866 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.4349 0.2712 ( 233 PWs) bands (ev): 6.0050 6.0050 9.8071 9.8071 20.8628 20.8628 24.6177 24.6177 39.1743 39.1743 41.6648 41.6648 45.7377 45.7377 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.4349 0.3549 ( 232 PWs) bands (ev): 7.3617 7.3617 9.8598 9.8598 20.1299 20.1299 21.5201 21.5201 41.1310 41.1310 43.0530 43.0530 44.1518 44.1518 occupation numbers 1.0000 1.0000 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 = 0.1538 0.4349 0.4386 ( 237 PWs) bands (ev): 8.6930 8.6930 10.7158 10.7158 17.3037 17.3037 21.2665 21.2665 39.0714 39.0714 42.2212 42.2212 45.6530 45.6531 occupation numbers 1.0000 1.0000 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 = 0.1538 0.4349 0.5223 ( 233 PWs) bands (ev): 9.8184 9.8184 12.1448 12.1448 14.8064 14.8064 21.8655 21.8655 35.3069 35.3069 41.4815 41.4815 44.2690 44.2690 occupation numbers 1.0000 1.0000 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 = 0.1538 0.4349 0.6060 ( 235 PWs) bands (ev): 10.8160 10.8160 11.3264 11.3264 15.7524 15.7524 22.8730 22.8730 31.5337 31.5337 40.7050 40.7050 41.5273 41.5273 occupation numbers 1.0000 1.0000 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 = 0.1538 0.4349 0.6897 ( 234 PWs) bands (ev): 8.9080 8.9080 12.6984 12.6984 18.2895 18.2895 24.1656 24.1656 28.3545 28.3545 37.9801 37.9801 40.9101 40.9101 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9957 0.9957 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.4349-0.3146 ( 232 PWs) bands (ev): 7.0927 7.0927 14.5895 14.5895 20.0558 20.0558 25.3589 25.3589 27.1302 27.1302 35.2544 35.2544 40.8041 40.8042 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.4349-0.2309 ( 233 PWs) bands (ev): 5.6674 5.6674 16.5642 16.5642 19.3727 19.3727 27.3470 27.3470 28.1931 28.1931 33.5438 33.5438 40.7803 40.7804 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.4349-0.1472 ( 233 PWs) bands (ev): 4.6612 4.6612 16.3030 16.3030 20.0474 20.0474 27.8136 27.8136 30.6373 30.6373 34.5373 34.5373 40.6684 40.6684 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.4349-0.0635 ( 231 PWs) bands (ev): 4.0843 4.0843 14.4060 14.4060 22.2690 22.2690 26.9691 26.9691 33.7347 33.7347 37.7430 37.7430 40.0820 40.0820 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.4349 0.0201 ( 230 PWs) bands (ev): 3.9398 3.9398 12.6636 12.6636 22.9640 22.9640 28.0248 28.0248 36.2852 36.2852 37.9118 37.9118 41.5535 41.5535 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.4349 0.1038 ( 229 PWs) bands (ev): 4.2241 4.2241 11.2789 11.2789 22.2138 22.2138 30.5253 30.5253 33.8270 33.8270 39.5758 39.5758 42.9757 42.9757 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.5142 0.2143 ( 228 PWs) bands (ev): 6.3265 6.3265 8.6068 8.6068 22.1933 22.1933 29.0757 29.0757 34.5580 34.5580 39.7864 39.7864 44.1964 44.1964 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.5142 0.2980 ( 231 PWs) bands (ev): 6.2276 6.2276 9.5251 9.5251 21.7823 21.7823 25.5081 25.5081 37.9380 37.9380 40.1969 40.1969 43.5381 43.5381 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.5142 0.3817 ( 233 PWs) bands (ev): 6.3312 6.3312 11.0630 11.0630 21.1412 21.1412 22.6244 22.6244 38.5514 38.5514 40.7187 40.7187 42.5188 42.5188 occupation numbers 1.0000 1.0000 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 = 0.1538 0.5142 0.4654 ( 233 PWs) bands (ev): 6.7939 6.7939 12.9789 12.9789 18.5112 18.5112 22.4759 22.4759 35.7188 35.7188 39.0160 39.0160 44.9691 44.9691 occupation numbers 1.0000 1.0000 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 = 0.1538 0.5142 0.5491 ( 234 PWs) bands (ev): 7.6545 7.6545 14.3936 14.3936 16.6108 16.6108 23.1608 23.1608 31.8075 31.8075 38.3384 38.3384 43.8647 43.8647 occupation numbers 1.0000 1.0000 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 = 0.1538 0.5142 0.6328 ( 234 PWs) bands (ev): 8.9080 8.9080 12.6984 12.6984 18.2895 18.2895 24.1656 24.1656 28.3545 28.3545 37.9801 37.9801 40.9101 40.9101 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9957 0.9957 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.5142 0.7165 ( 237 PWs) bands (ev): 10.2082 10.2082 11.0324 11.0324 19.7872 19.7872 25.0347 25.0347 26.8975 26.8975 37.8252 37.8252 38.0802 38.0802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.5142-0.2878 ( 235 PWs) bands (ev): 8.8785 8.8785 12.6659 12.6659 18.6080 18.6080 26.8436 26.8436 28.0572 28.0572 35.4894 35.4894 38.1672 38.1672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.5142-0.2041 ( 234 PWs) bands (ev): 7.6025 7.6025 14.3993 14.3993 16.8712 16.8712 29.0206 29.0206 29.7849 29.7849 34.4898 34.4898 38.5783 38.5784 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.5142-0.1204 ( 234 PWs) bands (ev): 6.7221 6.7221 13.1939 13.1939 18.4620 18.4620 28.2765 28.2765 32.7224 32.7224 36.2329 36.2329 38.9755 38.9755 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.5142-0.0368 ( 233 PWs) bands (ev): 6.2436 6.2436 11.2704 11.2704 21.1951 21.1951 27.0658 27.0658 35.5083 35.5083 38.9828 38.9828 39.1488 39.1488 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.5142 0.0469 ( 229 PWs) bands (ev): 6.1365 6.1365 9.6902 9.6902 22.9997 22.9997 27.2798 27.2798 37.2383 37.2383 37.9055 37.9055 41.4860 41.4860 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538 0.5142 0.1306 ( 226 PWs) bands (ev): 6.2764 6.2764 8.6818 8.6818 22.7897 22.7897 29.8140 29.8140 34.0139 34.0139 39.1467 39.1467 43.1082 43.1084 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.4373-0.1072 ( 229 PWs) bands (ev): 4.3348 4.3348 11.0837 11.0837 23.3293 23.3293 29.9485 29.9485 33.9124 33.9124 38.3482 38.3482 42.7521 42.7522 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.4373-0.0235 ( 232 PWs) bands (ev): 4.0307 4.0307 12.4383 12.4383 23.0560 23.0560 26.7334 26.7334 36.3866 36.3866 38.9308 38.9308 41.0999 41.0999 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.4373 0.0602 ( 232 PWs) bands (ev): 4.1539 4.1539 14.1586 14.1586 22.4538 22.4538 24.1375 24.1375 35.9012 35.9012 37.5089 37.5089 42.0159 42.0159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9995 0.9995 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.4373 0.1439 ( 233 PWs) bands (ev): 4.7086 4.7086 16.0860 16.0860 20.0638 20.0638 24.0591 24.0591 32.6093 32.6093 35.9794 35.9794 44.3639 44.3639 occupation numbers 1.0000 1.0000 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 = 0.1538-0.4373 0.2276 ( 236 PWs) bands (ev): 5.6920 5.6920 16.6068 16.6068 19.0550 19.0550 24.7380 24.7380 28.9481 28.9481 35.4162 35.4162 43.4825 43.4825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.4373 0.3113 ( 232 PWs) bands (ev): 7.0927 7.0927 14.5895 14.5895 20.0558 20.0558 25.3589 25.3589 27.1302 27.1302 35.2544 35.2544 40.8041 40.8042 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.4373 0.3950 ( 235 PWs) bands (ev): 8.8785 8.8785 12.6659 12.6659 18.6080 18.6080 26.8436 26.8436 28.0572 28.0572 35.4894 35.4894 38.1672 38.1672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.4373-0.6093 ( 236 PWs) bands (ev): 10.7270 10.7270 11.3018 11.3018 16.0874 16.0874 29.4480 29.4480 29.5733 29.5733 35.3784 35.3784 36.8164 36.8164 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.4373-0.5256 ( 238 PWs) bands (ev): 9.7544 9.7544 12.2185 12.2185 14.9274 14.9274 30.0369 30.0369 32.3511 32.3511 34.7645 34.7645 37.7692 37.7692 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.4373-0.4419 ( 238 PWs) bands (ev): 8.6864 8.6864 10.8158 10.8158 17.2381 17.2381 29.0048 29.0048 34.6262 34.6262 36.3087 36.3087 38.6783 38.6783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.4373-0.3582 ( 233 PWs) bands (ev): 7.4588 7.4588 9.8231 9.8231 20.3014 20.3014 27.6931 27.6931 36.2316 36.2316 38.9361 38.9361 38.9821 38.9821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.4373-0.2745 ( 229 PWs) bands (ev): 6.1365 6.1365 9.6902 9.6902 22.9997 22.9997 27.2798 27.2798 37.2383 37.2383 37.9055 37.9055 41.4860 41.4860 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.4373-0.1909 ( 226 PWs) bands (ev): 5.0510 5.0510 10.1503 10.1503 23.6583 23.6583 29.3240 29.3240 34.6202 34.6202 38.1143 38.1143 42.8485 42.8486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.3580-0.0804 ( 228 PWs) bands (ev): 2.2479 2.2479 14.4233 14.4233 24.7488 24.7488 30.8691 30.8691 33.5574 33.5574 36.8252 36.8252 41.4560 41.4560 occupation numbers 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 = 0.1538-0.3580 0.0033 ( 231 PWs) bands (ev): 2.0563 2.0563 15.8676 15.8676 24.5813 24.5813 28.2103 28.2103 34.4286 34.4286 37.8527 37.8527 39.2435 39.2435 occupation numbers 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 = 0.1538-0.3580 0.0870 ( 227 PWs) bands (ev): 2.3065 2.3065 17.5979 17.5979 23.8859 23.8859 26.0281 26.0281 33.3973 33.3973 34.7805 34.7805 41.7667 41.7667 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.3580 0.1707 ( 231 PWs) bands (ev): 2.9968 2.9968 19.3163 19.3163 21.7046 21.7046 25.9329 25.9329 30.1537 30.1537 33.4599 33.4599 43.8675 43.8675 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.3580 0.2544 ( 233 PWs) bands (ev): 4.1214 4.1214 18.7581 18.7581 20.8605 20.8605 26.3307 26.3307 27.8222 27.8222 33.1851 33.1851 43.0376 43.0376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.3580 0.3381 ( 233 PWs) bands (ev): 5.6674 5.6674 16.5642 16.5642 19.3727 19.3727 27.3470 27.3470 28.1931 28.1931 33.5438 33.5438 40.7803 40.7803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.3580 0.4218 ( 234 PWs) bands (ev): 7.6025 7.6025 14.3993 14.3993 16.8712 16.8712 29.0206 29.0206 29.7849 29.7849 34.4898 34.4898 38.5783 38.5784 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.3580-0.5825 ( 238 PWs) bands (ev): 9.7544 9.7544 12.2185 12.2185 14.9274 14.9274 30.0369 30.0369 32.3511 32.3511 34.7645 34.7645 37.7692 37.7692 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.3580-0.4988 ( 233 PWs) bands (ev): 9.3845 9.3845 12.3599 12.3599 14.2536 14.2536 30.6084 30.6084 33.6995 33.6995 35.0983 35.0983 38.4706 38.4706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.3580-0.4151 ( 234 PWs) bands (ev): 7.2718 7.2718 12.4894 12.4894 16.4637 16.4637 29.9270 29.9270 33.9528 33.9528 37.6271 37.6271 38.9204 38.9204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.3580-0.3315 ( 233 PWs) bands (ev): 5.4161 5.4161 12.3904 12.3904 19.7201 19.7201 28.7195 28.7195 35.1260 35.1260 38.4305 38.4305 40.7196 40.7196 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.3580-0.2478 ( 230 PWs) bands (ev): 3.9398 3.9398 12.6636 12.6636 22.9640 22.9640 28.0248 28.0248 36.2852 36.2852 37.9118 37.9118 41.5535 41.5535 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.3580-0.1641 ( 230 PWs) bands (ev): 2.8783 2.8783 13.3446 13.3446 24.6952 24.6952 29.2697 29.2697 35.3432 35.3432 36.8518 36.8518 41.8918 41.8918 occupation numbers 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 = 0.1538-0.2787-0.0536 ( 225 PWs) bands (ev): 0.5412 0.5412 18.0950 18.0950 26.2234 26.2234 31.5682 31.5682 33.0982 33.0982 36.0667 36.0667 40.5888 40.5888 occupation numbers 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 = 0.1538-0.2787 0.0301 ( 226 PWs) bands (ev): 0.4842 0.4842 19.5366 19.5366 25.9948 25.9948 29.7294 29.7294 32.6715 32.6715 36.6144 36.6144 38.6440 38.6440 occupation numbers 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 = 0.1538-0.2787 0.1138 ( 227 PWs) bands (ev): 0.8732 0.8732 21.0961 21.0961 24.9101 24.9101 28.0408 28.0408 31.5803 31.5803 33.1834 33.1834 41.7628 41.7628 occupation numbers 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 = 0.1538-0.2787 0.1975 ( 230 PWs) bands (ev): 1.7055 1.7055 22.1658 22.1658 22.5481 22.5481 27.6350 27.6350 29.3766 29.3766 32.3387 32.3387 43.3365 43.3365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.2787 0.2812 ( 232 PWs) bands (ev): 2.9735 2.9735 19.5051 19.5051 21.6956 21.6956 27.5985 27.5985 29.0871 29.0871 33.0135 33.0135 42.4406 42.4406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.2787 0.3649 ( 233 PWs) bands (ev): 4.6612 4.6612 16.3030 16.3030 20.0474 20.0474 27.8136 27.8136 30.6373 30.6373 34.5373 34.5373 40.6684 40.6684 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.2787 0.4486 ( 234 PWs) bands (ev): 6.7221 6.7221 13.1939 13.1939 18.4620 18.4620 28.2765 28.2765 32.7224 32.7224 36.2329 36.2329 38.9755 38.9755 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.2787-0.5557 ( 238 PWs) bands (ev): 8.6864 8.6864 10.8158 10.8158 17.2381 17.2381 29.0048 29.0048 34.6262 34.6262 36.3087 36.3087 38.6783 38.6783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.2787-0.4720 ( 234 PWs) bands (ev): 7.2718 7.2718 12.4894 12.4894 16.4637 16.4637 29.9270 29.9270 33.9528 33.9528 37.6271 37.6271 38.9204 38.9204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.2787-0.3884 ( 229 PWs) bands (ev): 5.1474 5.1474 15.0777 15.0777 16.6292 16.6292 30.5126 30.5126 33.1601 33.1601 38.0775 38.0775 40.5627 40.5627 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.2787-0.3047 ( 230 PWs) bands (ev): 3.3623 3.3623 15.6824 15.6824 19.5336 19.5336 29.9289 29.9289 33.9852 33.9852 38.0642 38.0642 41.0872 41.0873 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.2787-0.2210 ( 229 PWs) bands (ev): 1.9875 1.9875 16.1418 16.1418 23.0475 23.0475 29.2503 29.2503 35.2115 35.2115 37.8579 37.8579 39.5941 39.5942 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.2787-0.1373 ( 226 PWs) bands (ev): 1.0438 1.0438 16.9438 16.9438 25.6720 25.6720 29.7850 29.7850 34.9281 34.9281 36.5475 36.5475 40.2605 40.2606 occupation numbers 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 = 0.1538-0.1994-0.0268 ( 223 PWs) bands (ev): -0.7395 -0.7395 21.9005 21.9005 27.0551 27.0551 31.8921 31.8921 32.9444 32.9444 36.2911 36.2911 40.2055 40.2055 occupation numbers 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 = 0.1538-0.1994 0.0569 ( 224 PWs) bands (ev): -0.6565 -0.6565 23.0948 23.0948 26.3794 26.3794 30.5639 30.5639 32.5036 32.5036 36.5672 36.5672 38.5859 38.5859 occupation numbers 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 = 0.1538-0.1994 0.1406 ( 227 PWs) bands (ev): -0.1252 -0.1252 23.8735 23.8735 24.6866 24.6866 28.8267 28.8267 32.5743 32.5743 33.6016 33.6016 41.7461 41.7461 occupation numbers 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 = 0.1538-0.1994 0.2243 ( 228 PWs) bands (ev): 0.8502 0.8502 21.4561 21.4561 23.9530 23.9530 28.3204 28.3204 31.5524 31.5524 33.9726 33.9726 41.5708 41.5708 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1994 0.3080 ( 228 PWs) bands (ev): 2.2603 2.2603 17.8873 17.8873 23.2786 23.2786 27.5124 27.5124 32.1501 32.1501 35.6655 35.6655 41.0068 41.0068 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1994 0.3917 ( 231 PWs) bands (ev): 4.0843 4.0843 14.4060 14.4060 22.2690 22.2690 26.9691 26.9691 33.7347 33.7347 37.7430 37.7430 40.0820 40.0820 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1994 0.4754 ( 233 PWs) bands (ev): 6.2436 6.2436 11.2704 11.2704 21.1951 21.1951 27.0658 27.0658 35.5083 35.5083 38.9828 38.9828 39.1488 39.1488 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1994-0.5290 ( 233 PWs) bands (ev): 7.4588 7.4588 9.8231 9.8231 20.3014 20.3014 27.6931 27.6931 36.2316 36.2316 38.9361 38.9361 38.9821 38.9821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1994-0.4453 ( 233 PWs) bands (ev): 5.4161 5.4161 12.3904 12.3904 19.7201 19.7201 28.7195 28.7195 35.1260 35.1260 38.4305 38.4305 40.7196 40.7196 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1994-0.3616 ( 230 PWs) bands (ev): 3.3623 3.3623 15.6824 15.6824 19.5336 19.5336 29.9289 29.9289 33.9852 33.9852 38.0642 38.0642 41.0872 41.0873 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1994-0.2779 ( 230 PWs) bands (ev): 1.6885 1.6885 18.8186 18.8186 20.1895 20.1895 30.6201 30.6201 33.8337 33.8337 37.9182 37.9182 39.1256 39.1256 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1994-0.1942 ( 229 PWs) bands (ev): 0.4381 0.4381 19.8851 19.8851 23.3676 23.3676 30.3823 30.3823 34.7095 34.7095 37.4902 37.4902 37.9368 37.9368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1994-0.1105 ( 228 PWs) bands (ev): -0.3737 -0.3737 20.7798 20.7798 26.3491 26.3491 30.5644 30.5644 34.0204 34.0204 37.0678 37.0679 38.9510 38.9511 occupation numbers 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 = 0.1538-0.1201-0.0000 ( 220 PWs) bands (ev): -1.5792 -1.5792 24.8638 24.8638 27.2829 27.2829 31.8130 31.8130 34.4983 34.4984 36.1262 36.1262 39.3817 39.3819 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1201 0.0837 ( 221 PWs) bands (ev): -1.3539 -1.3539 24.4877 24.4877 26.6736 26.6736 30.6161 30.6161 34.8841 34.8841 37.3972 37.3972 38.2680 38.2680 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1201 0.1674 ( 226 PWs) bands (ev): -0.6796 -0.6796 23.4497 23.4497 24.1360 24.1360 30.5084 30.5084 35.7912 35.7913 35.9040 35.9040 37.9667 37.9667 occupation numbers 1.0000 1.0000 1.0000 1.0000 0.9995 0.9995 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1201 0.2511 ( 229 PWs) bands (ev): 0.4381 0.4381 19.8851 19.8851 23.3676 23.3676 30.3823 30.3823 34.7095 34.7095 37.4902 37.4902 37.9368 37.9368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1201 0.3348 ( 229 PWs) bands (ev): 1.9875 1.9875 16.1418 16.1418 23.0475 23.0475 29.2503 29.2503 35.2115 35.2115 37.8579 37.8579 39.5941 39.5941 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1201 0.4185 ( 230 PWs) bands (ev): 3.9398 3.9398 12.6636 12.6636 22.9640 22.9640 28.0248 28.0248 36.2852 36.2852 37.9118 37.9118 41.5535 41.5535 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1201 0.5022 ( 229 PWs) bands (ev): 6.1365 6.1365 9.6902 9.6902 22.9997 22.9997 27.2798 27.2798 37.2383 37.2383 37.9055 37.9055 41.4860 41.4860 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1201-0.5022 ( 229 PWs) bands (ev): 6.1365 6.1365 9.6902 9.6902 22.9997 22.9997 27.2798 27.2798 37.2383 37.2383 37.9055 37.9055 41.4860 41.4860 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1201-0.4185 ( 230 PWs) bands (ev): 3.9398 3.9398 12.6636 12.6636 22.9640 22.9640 28.0248 28.0248 36.2852 36.2852 37.9118 37.9118 41.5535 41.5535 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1201-0.3348 ( 229 PWs) bands (ev): 1.9875 1.9875 16.1418 16.1418 23.0475 23.0475 29.2503 29.2503 35.2115 35.2115 37.8579 37.8579 39.5941 39.5942 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1201-0.2511 ( 229 PWs) bands (ev): 0.4381 0.4381 19.8851 19.8851 23.3676 23.3676 30.3823 30.3823 34.7095 34.7095 37.4902 37.4902 37.9368 37.9368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1201-0.1674 ( 226 PWs) bands (ev): -0.6796 -0.6796 23.4497 23.4497 24.1360 24.1360 30.5084 30.5084 35.7912 35.7913 35.9040 35.9040 37.9667 37.9667 occupation numbers 1.0000 1.0000 1.0000 1.0000 0.9995 0.9995 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.1201-0.0837 ( 221 PWs) bands (ev): -1.3539 -1.3539 24.4877 24.4877 26.6736 26.6736 30.6161 30.6161 34.8841 34.8841 37.3972 37.3972 38.2680 38.2680 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.0408 0.0268 ( 221 PWs) bands (ev): -1.9707 -1.9707 24.3576 24.3576 29.4831 29.4831 31.9465 31.9465 33.9039 33.9039 37.2372 37.2372 38.3713 38.3713 occupation numbers 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.0408 0.1105 ( 223 PWs) bands (ev): -1.6025 -1.6025 23.2917 23.2917 26.5548 26.5548 32.2045 32.2045 34.3672 34.3672 38.2813 38.2813 40.2085 40.2086 occupation numbers 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 = 0.1538-0.0408 0.1942 ( 224 PWs) bands (ev): -0.7859 -0.7859 22.0338 22.0338 22.9993 22.9993 31.9372 31.9372 35.2959 35.2959 38.8659 38.8659 39.9926 39.9926 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.0408 0.2779 ( 226 PWs) bands (ev): 0.4721 0.4721 18.4012 18.4012 22.1428 22.1428 31.5932 31.5932 35.2113 35.2113 38.3631 38.3631 41.7363 41.7364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.0408 0.3616 ( 231 PWs) bands (ev): 2.1565 2.1565 14.6674 14.6674 21.9871 21.9871 31.1616 31.1616 34.2961 34.2961 39.0477 39.0477 43.1070 43.1071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.0408 0.4453 ( 229 PWs) bands (ev): 4.2241 4.2241 11.2789 11.2789 22.2138 22.2138 30.5253 30.5253 33.8270 33.8270 39.5758 39.5758 42.9757 42.9757 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.0408 0.5290 ( 226 PWs) bands (ev): 6.2764 6.2764 8.6818 8.6818 22.7897 22.7897 29.8140 29.8140 34.0139 34.0139 39.1467 39.1467 43.1082 43.1082 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.0408-0.4754 ( 226 PWs) bands (ev): 5.0510 5.0510 10.1503 10.1503 23.6583 23.6583 29.3240 29.3240 34.6202 34.6202 38.1143 38.1143 42.8485 42.8485 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.0408-0.3917 ( 230 PWs) bands (ev): 2.8783 2.8783 13.3446 13.3446 24.6952 24.6952 29.2697 29.2697 35.3432 35.3432 36.8518 36.8518 41.8918 41.8918 occupation numbers 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 = 0.1538-0.0408-0.3080 ( 226 PWs) bands (ev): 1.0438 1.0438 16.9438 16.9438 25.6720 25.6720 29.7850 29.7850 34.9281 34.9281 36.5475 36.5475 40.2605 40.2606 occupation numbers 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 = 0.1538-0.0408-0.2243 ( 228 PWs) bands (ev): -0.3737 -0.3737 20.7798 20.7798 26.3491 26.3491 30.5644 30.5644 34.0204 34.0204 37.0678 37.0678 38.9510 38.9510 occupation numbers 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 = 0.1538-0.0408-0.1406 ( 221 PWs) bands (ev): -1.3539 -1.3539 24.4877 24.4877 26.6736 26.6736 30.6161 30.6161 34.8841 34.8841 37.3972 37.3972 38.2680 38.2680 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1538-0.0408-0.0569 ( 222 PWs) bands (ev): -1.8876 -1.8876 25.3536 25.3536 28.7090 28.7090 30.7075 30.7075 36.3773 36.3773 36.5709 36.5709 37.7486 37.7486 occupation numbers 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.0577 0.0804 ( 225 PWs) bands (ev): -0.7875 -0.7875 18.9859 18.9859 28.8943 28.8943 29.6444 29.6444 34.2818 34.2818 38.5596 38.5596 42.4752 42.4753 occupation numbers 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 = 0.2308 0.0577 0.1641 ( 228 PWs) bands (ev): -0.1390 -0.1390 17.9292 17.9292 25.1260 25.1260 28.5563 28.5563 36.3881 36.3881 40.3832 40.3832 44.1725 44.1726 occupation numbers 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 = 0.2308 0.0577 0.2478 ( 223 PWs) bands (ev): 0.9518 0.9518 17.2132 17.2132 21.0461 21.0461 28.0652 28.0652 37.7620 37.7620 41.7820 41.7820 44.7350 44.7350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.0577 0.3315 ( 229 PWs) bands (ev): 2.4732 2.4732 16.3956 16.3956 17.7049 17.7049 27.8752 27.8752 38.4531 38.4531 41.2864 41.2864 46.5126 46.5127 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.0577 0.4151 ( 229 PWs) bands (ev): 4.3979 4.3979 13.3636 13.3636 17.3282 17.3282 28.0168 28.0168 37.8411 37.8411 41.7084 41.7084 44.5772 44.5772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.0577 0.4988 ( 231 PWs) bands (ev): 6.5905 6.5905 10.3654 10.3654 17.8354 17.8354 28.4909 28.4909 36.6327 36.6327 41.9749 41.9749 42.6618 42.6618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.0577 0.5825 ( 232 PWs) bands (ev): 6.8236 6.8236 10.0711 10.0711 18.7837 18.7837 29.2644 29.2644 35.3321 35.3321 39.4035 39.4035 43.1218 43.1218 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.0577-0.4218 ( 232 PWs) bands (ev): 4.6323 4.6323 12.9542 12.9542 20.1244 20.1244 30.2341 30.2341 33.7021 33.7021 37.5193 37.5193 42.6440 42.6441 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.0577-0.3381 ( 230 PWs) bands (ev): 2.6633 2.6633 16.3214 16.3214 21.7723 21.7723 30.8651 30.8651 31.9814 31.9814 36.8232 36.8232 41.5883 41.5884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.0577-0.2544 ( 229 PWs) bands (ev): 1.0949 1.0949 19.8647 19.8647 23.3642 23.3642 29.6596 29.6596 32.1960 32.1960 37.0885 37.0885 40.4952 40.4952 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.0577-0.1707 ( 226 PWs) bands (ev): -0.0433 -0.0433 22.7466 22.7466 24.2285 24.2285 30.1388 30.1388 32.2606 32.2606 37.4432 37.4432 39.7786 39.7786 occupation numbers 1.0000 1.0000 1.0000 1.0000 0.6945 0.6945 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.0577-0.0870 ( 223 PWs) bands (ev): -0.7395 -0.7395 21.9005 21.9005 27.0551 27.0551 31.8921 31.8921 32.9444 32.9444 36.2911 36.2911 40.2055 40.2055 occupation numbers 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 = 0.2308 0.0577-0.0033 ( 224 PWs) bands (ev): -0.9882 -0.9882 20.3580 20.3580 29.2230 29.2230 32.1062 32.1062 33.3786 33.3786 36.4373 36.4373 40.4208 40.4209 occupation numbers 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 = 0.2308 0.1370 0.1072 ( 228 PWs) bands (ev): -0.1390 -0.1390 17.9292 17.9292 25.1260 25.1260 28.5563 28.5563 36.3881 36.3881 40.3832 40.3832 44.1726 44.1726 occupation numbers 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 = 0.2308 0.1370 0.1909 ( 230 PWs) bands (ev): 0.6478 0.6478 16.9794 16.9794 23.9862 23.9862 24.7015 24.7015 39.3053 39.3053 42.0388 42.0388 46.7920 46.7923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.1370 0.2745 ( 233 PWs) bands (ev): 1.8729 1.8729 16.3869 16.3869 20.2241 20.2241 23.9545 23.9545 41.1686 41.1686 44.2474 44.2474 46.4824 46.4825 occupation numbers 1.0000 1.0000 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 = 0.2308 0.1370 0.3582 ( 232 PWs) bands (ev): 3.5212 3.5212 15.7071 15.7071 16.9823 16.9823 23.8303 23.8303 41.8038 41.8038 44.9033 44.9033 46.5674 46.5675 occupation numbers 1.0000 1.0000 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 = 0.2308 0.1370 0.4419 ( 230 PWs) bands (ev): 5.5527 5.5527 12.7945 12.7945 16.7537 16.7537 24.0943 24.0943 41.0390 41.0390 44.4593 44.4593 45.0342 45.0342 occupation numbers 1.0000 1.0000 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 = 0.2308 0.1370 0.5256 ( 232 PWs) bands (ev): 7.6511 7.6511 10.1263 10.1263 17.4022 17.4022 24.7366 24.7366 39.1429 39.1429 42.2198 42.2198 45.0342 45.0342 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.1370 0.6093 ( 230 PWs) bands (ev): 6.6289 6.6289 11.3134 11.3134 18.4912 18.4912 25.7329 25.7329 36.4500 36.4500 40.4757 40.4757 43.9090 43.9090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.1370-0.3950 ( 233 PWs) bands (ev): 4.4545 4.4545 14.3763 14.3763 19.9650 19.9650 27.0113 27.0113 33.5657 33.5657 38.9043 38.9043 42.2127 42.2128 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.1370-0.3113 ( 229 PWs) bands (ev): 2.6096 2.6096 17.7483 17.7483 21.6886 21.6886 28.2933 28.2933 31.2067 31.2067 37.2074 37.2074 40.9845 40.9845 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.1370-0.2276 ( 231 PWs) bands (ev): 1.1780 1.1780 21.1159 21.1159 23.0333 23.0333 28.7997 28.7997 30.6394 30.6394 36.0101 36.0101 40.1993 40.1993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.1370-0.1439 ( 227 PWs) bands (ev): 0.1805 0.1805 22.2579 22.2579 24.5055 24.5055 30.3275 30.3275 30.7238 30.7238 36.6155 36.6155 39.3101 39.3101 occupation numbers 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 = 0.2308 0.1370-0.0602 ( 228 PWs) bands (ev): -0.3737 -0.3737 20.7798 20.7798 26.3491 26.3491 30.5644 30.5644 34.0204 34.0204 37.0678 37.0678 38.9510 38.9510 occupation numbers 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 = 0.2308 0.1370 0.0235 ( 229 PWs) bands (ev): -0.4805 -0.4805 19.2253 19.2253 26.0577 26.0577 31.8733 31.8733 34.2355 34.2355 37.7769 37.7769 41.8453 41.8453 occupation numbers 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 = 0.2308 0.2163 0.1340 ( 223 PWs) bands (ev): 0.9518 0.9518 17.2132 17.2132 21.0461 21.0461 28.0652 28.0652 37.7620 37.7620 41.7820 41.7820 44.7350 44.7350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.2163 0.2176 ( 233 PWs) bands (ev): 1.8729 1.8729 16.3869 16.3869 20.2241 20.2241 23.9545 23.9545 41.1686 41.1686 44.2474 44.2474 46.4824 46.4825 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2163 0.3013 ( 240 PWs) bands (ev): 3.2260 3.2260 15.9298 15.9298 19.2297 19.2297 20.5998 20.5998 44.3421 44.3421 45.4100 45.4100 48.2098 48.2127 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2163 0.3850 ( 237 PWs) bands (ev): 4.9913 4.9913 15.4136 15.4136 16.5583 16.5583 20.1036 20.1036 44.7581 44.7581 46.6828 46.6828 46.9349 46.9349 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2163 0.4687 ( 238 PWs) bands (ev): 7.1058 7.1058 12.6422 12.6422 16.5197 16.5197 20.4634 20.4634 42.3340 42.3340 45.1819 45.1819 46.2613 46.2613 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2163 0.5524 ( 237 PWs) bands (ev): 8.6930 8.6930 10.7158 10.7158 17.3037 17.3037 21.2665 21.2665 39.0714 39.0714 42.2212 42.2212 45.6530 45.6533 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2163 0.6361 ( 233 PWs) bands (ev): 6.7939 6.7939 12.9789 12.9789 18.5112 18.5112 22.4759 22.4759 35.7188 35.7188 39.0160 39.0160 44.9691 44.9692 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2163-0.3682 ( 233 PWs) bands (ev): 4.7086 4.7086 16.0860 16.0860 20.0638 20.0638 24.0591 24.0591 32.6093 32.6093 35.9794 35.9794 44.3639 44.3639 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2163-0.2845 ( 231 PWs) bands (ev): 2.9968 2.9968 19.3163 19.3163 21.7046 21.7046 25.9329 25.9329 30.1537 30.1537 33.4599 33.4599 43.8675 43.8676 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.2163-0.2008 ( 230 PWs) bands (ev): 1.7055 1.7055 22.1658 22.1658 22.5481 22.5481 27.6350 27.6350 29.3766 29.3766 32.3387 32.3387 43.3365 43.3365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.2163-0.1171 ( 228 PWs) bands (ev): 0.8502 0.8502 21.4561 21.4561 23.9530 23.9530 28.3204 28.3204 31.5524 31.5524 33.9726 33.9726 41.5708 41.5709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.2163-0.0334 ( 229 PWs) bands (ev): 0.4381 0.4381 19.8851 19.8851 23.3676 23.3676 30.3823 30.3823 34.7095 34.7095 37.4902 37.4902 37.9368 37.9368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.2163 0.0503 ( 226 PWs) bands (ev): 0.4721 0.4721 18.4012 18.4012 22.1428 22.1428 31.5932 31.5932 35.2113 35.2113 38.3631 38.3631 41.7363 41.7364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.2955 0.1607 ( 229 PWs) bands (ev): 2.4732 2.4732 16.3956 16.3956 17.7049 17.7049 27.8752 27.8752 38.4531 38.4531 41.2865 41.2865 46.5124 46.5125 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.2955 0.2444 ( 232 PWs) bands (ev): 3.5212 3.5212 15.7071 15.7071 16.9823 16.9823 23.8303 23.8303 41.8038 41.8038 44.9033 44.9033 46.5675 46.5675 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2955 0.3281 ( 237 PWs) bands (ev): 4.9913 4.9913 15.4136 15.4136 16.5583 16.5583 20.1036 20.1036 44.7581 44.7581 46.6828 46.6828 46.9349 46.9349 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2955 0.4118 ( 237 PWs) bands (ev): 6.8558 6.8558 15.4985 15.4985 15.5496 15.5496 17.7488 17.7488 44.4944 44.4944 45.8939 45.8939 45.8950 45.8950 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2955 0.4955 ( 242 PWs) bands (ev): 9.0072 9.0072 12.8864 12.8864 16.0358 16.0358 17.9029 17.9029 41.5036 41.5036 42.5992 42.5992 45.0313 45.0313 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2955 0.5792 ( 233 PWs) bands (ev): 9.5263 9.5263 12.2383 12.2383 16.9341 16.9341 18.8920 18.8920 38.0695 38.0695 38.7901 38.7901 44.5593 44.5593 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2955 0.6629 ( 233 PWs) bands (ev): 7.3609 7.3609 14.8860 14.8860 18.1791 18.1791 20.4251 20.4251 34.7434 34.7434 35.1269 35.1269 44.3066 44.3066 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2955-0.3414 ( 230 PWs) bands (ev): 5.3945 5.3945 17.8437 17.8437 19.6581 19.6581 22.4810 22.4810 31.7750 31.7750 31.9239 31.9239 44.2888 44.2888 occupation numbers 1.0000 1.0000 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 = 0.2308 0.2955-0.2577 ( 234 PWs) bands (ev): 3.8218 3.8218 20.6559 20.6559 21.0193 21.0193 24.7598 24.7598 29.6159 29.6159 29.7656 29.7656 44.4977 44.4977 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.2955-0.1740 ( 232 PWs) bands (ev): 2.6730 2.6730 21.3510 21.3510 22.4562 22.4562 25.9429 25.9429 29.1411 29.1411 30.8665 30.8665 44.8923 44.8924 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.2955-0.0903 ( 232 PWs) bands (ev): 1.9600 1.9600 20.3069 20.3069 21.7288 21.7288 27.9324 27.9324 30.8652 30.8652 34.5806 34.5806 42.2516 42.2516 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.2955-0.0066 ( 230 PWs) bands (ev): 1.6885 1.6885 18.8186 18.8186 20.1895 20.1895 30.6201 30.6201 33.8337 33.8337 37.9182 37.9182 39.1256 39.1256 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.2955 0.0771 ( 226 PWs) bands (ev): 1.8602 1.8602 17.4539 17.4539 18.7879 18.7879 31.4329 31.4329 35.8907 35.8907 37.4205 37.4205 43.5453 43.5453 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.3748 0.1875 ( 229 PWs) bands (ev): 4.3979 4.3979 13.3636 13.3636 17.3282 17.3282 28.0168 28.0168 37.8411 37.8411 41.7084 41.7084 44.5772 44.5772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.3748 0.2712 ( 230 PWs) bands (ev): 5.5527 5.5527 12.7945 12.7945 16.7537 16.7537 24.0943 24.0943 41.0390 41.0390 44.4593 44.4593 45.0342 45.0342 occupation numbers 1.0000 1.0000 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 = 0.2308 0.3748 0.3549 ( 238 PWs) bands (ev): 7.1058 7.1058 12.6422 12.6422 16.5197 16.5197 20.4634 20.4634 42.3340 42.3340 45.1819 45.1819 46.2613 46.2613 occupation numbers 1.0000 1.0000 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 = 0.2308 0.3748 0.4386 ( 242 PWs) bands (ev): 9.0072 9.0072 12.8864 12.8864 16.0358 16.0358 17.9029 17.9029 41.5036 41.5036 42.5992 42.5992 45.0313 45.0313 occupation numbers 1.0000 1.0000 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 = 0.2308 0.3748 0.5223 ( 236 PWs) bands (ev): 11.0740 11.0740 12.9231 12.9231 14.4721 14.4721 18.0488 18.0488 38.1926 38.1926 41.2431 41.2431 41.7027 41.7027 occupation numbers 1.0000 1.0000 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 = 0.2308 0.3748 0.6060 ( 233 PWs) bands (ev): 10.4828 10.4828 13.5501 13.5501 15.5096 15.5096 19.2064 19.2064 34.4123 34.4123 37.7829 37.7829 41.0269 41.0269 occupation numbers 1.0000 1.0000 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 = 0.2308 0.3748 0.6897 ( 232 PWs) bands (ev): 8.3367 8.3367 15.4878 15.4878 17.5712 17.5712 20.9847 20.9847 30.9468 30.9468 34.3567 34.3567 40.8805 40.8805 occupation numbers 1.0000 1.0000 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 = 0.2308 0.3748-0.3146 ( 232 PWs) bands (ev): 6.5060 6.5060 17.4216 17.4216 19.6881 19.6881 23.2755 23.2755 28.2272 28.2272 31.4829 31.4829 41.0563 41.0563 occupation numbers 1.0000 1.0000 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 = 0.2308 0.3748-0.2309 ( 235 PWs) bands (ev): 5.0764 5.0764 19.1439 19.1439 20.9703 20.9703 24.8796 24.8796 27.4038 27.4038 30.2853 30.2853 41.5364 41.5364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.3748-0.1472 ( 232 PWs) bands (ev): 4.0705 4.0705 18.9305 18.9305 21.6214 21.6214 25.3193 25.3193 28.3992 28.3992 32.7842 32.7842 42.2664 42.2664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.3748-0.0635 ( 232 PWs) bands (ev): 3.4977 3.4977 17.3147 17.3147 20.9263 20.9263 27.1279 27.1279 30.8855 30.8855 36.7825 36.7825 42.1886 42.1886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.3748 0.0201 ( 230 PWs) bands (ev): 3.3623 3.3623 15.6824 15.6824 19.5336 19.5336 29.9289 29.9289 33.9852 33.9852 38.0642 38.0642 41.0872 41.0873 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.3748 0.1038 ( 227 PWs) bands (ev): 3.6640 3.6640 14.3370 14.3370 18.2712 18.2712 31.3290 31.3290 35.1674 35.1674 38.0610 38.0610 44.2522 44.2522 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.4541 0.2143 ( 231 PWs) bands (ev): 6.5905 6.5905 10.3654 10.3654 17.8354 17.8354 28.4909 28.4909 36.6327 36.6327 41.9749 41.9749 42.6618 42.6618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.4541 0.2980 ( 232 PWs) bands (ev): 7.6511 7.6511 10.1263 10.1263 17.4022 17.4022 24.7366 24.7366 39.1429 39.1429 42.2198 42.2198 45.0342 45.0342 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.4541 0.3817 ( 237 PWs) bands (ev): 8.6930 8.6930 10.7158 10.7158 17.3037 17.3037 21.2665 21.2665 39.0714 39.0714 42.2212 42.2212 45.6530 45.6531 occupation numbers 1.0000 1.0000 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 = 0.2308 0.4541 0.4654 ( 233 PWs) bands (ev): 9.5263 9.5263 12.2383 12.2383 16.9341 16.9341 18.8920 18.8920 38.0695 38.0695 38.7901 38.7901 44.5593 44.5593 occupation numbers 1.0000 1.0000 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 = 0.2308 0.4541 0.5491 ( 233 PWs) bands (ev): 10.4828 10.4828 13.5501 13.5501 15.5096 15.5096 19.2064 19.2064 34.4123 34.4123 37.7829 37.7829 41.0269 41.0269 occupation numbers 1.0000 1.0000 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 = 0.2308 0.4541 0.6328 ( 233 PWs) bands (ev): 11.4455 11.4455 12.1318 12.1318 17.1671 17.1671 20.6093 20.6093 30.6491 30.6491 37.3902 37.3902 37.4796 37.4796 occupation numbers 1.0000 1.0000 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 = 0.2308 0.4541 0.7165 ( 231 PWs) bands (ev): 9.7023 9.7023 13.4870 13.4870 19.1417 19.1417 22.6919 22.6919 27.5603 27.5603 34.1520 34.1520 37.4657 37.4657 occupation numbers 1.0000 1.0000 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 = 0.2308 0.4541-0.2878 ( 231 PWs) bands (ev): 8.0271 8.0271 15.3938 15.3938 19.9702 19.9702 24.5889 24.5889 26.5703 26.5703 31.6711 31.6711 37.8818 37.8818 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.4541-0.2041 ( 234 PWs) bands (ev): 6.7431 6.7431 16.9539 16.9539 19.3241 19.3241 25.4119 25.4119 27.5516 27.5516 31.8804 31.8804 38.7083 38.7083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.4541-0.1204 ( 233 PWs) bands (ev): 5.8761 5.8761 15.8541 15.8541 20.4827 20.4827 24.9355 24.9355 29.4083 29.4083 34.9200 34.9200 39.9627 39.9627 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.4541-0.0368 ( 232 PWs) bands (ev): 5.4340 5.4340 14.0058 14.0058 20.7896 20.7896 25.8859 25.8859 32.2215 32.2215 38.2298 38.2298 41.5002 41.5010 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.4541 0.0469 ( 233 PWs) bands (ev): 5.4161 5.4161 12.3904 12.3904 19.7201 19.7201 28.7195 28.7195 35.1260 35.1260 38.4305 38.4305 40.7196 40.7196 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.4541 0.1306 ( 232 PWs) bands (ev): 5.8122 5.8122 11.1546 11.1546 18.6304 18.6304 31.1407 31.1407 34.4092 34.4092 39.3953 39.3953 41.9224 41.9224 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.5334 0.2411 ( 232 PWs) bands (ev): 6.8236 6.8236 10.0711 10.0711 18.7837 18.7837 29.2644 29.2644 35.3321 35.3321 39.4035 39.4035 43.1217 43.1217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.5334 0.3248 ( 230 PWs) bands (ev): 6.6289 6.6289 11.3134 11.3134 18.4912 18.4912 25.7329 25.7329 36.4500 36.4500 40.4757 40.4757 43.9090 43.9091 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.5334 0.4085 ( 233 PWs) bands (ev): 6.7939 6.7939 12.9789 12.9789 18.5112 18.5112 22.4759 22.4759 35.7188 35.7188 39.0160 39.0160 44.9692 44.9692 occupation numbers 1.0000 1.0000 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 = 0.2308 0.5334 0.4922 ( 233 PWs) bands (ev): 7.3609 7.3609 14.8860 14.8860 18.1791 18.1791 20.4251 20.4251 34.7434 34.7434 35.1269 35.1269 44.3066 44.3066 occupation numbers 1.0000 1.0000 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 = 0.2308 0.5334 0.5759 ( 232 PWs) bands (ev): 8.3367 8.3367 15.4878 15.4878 17.5712 17.5712 20.9847 20.9847 30.9468 30.9468 34.3567 34.3567 40.8805 40.8805 occupation numbers 1.0000 1.0000 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 = 0.2308 0.5334 0.6596 ( 231 PWs) bands (ev): 9.7023 9.7023 13.4870 13.4870 19.1417 19.1417 22.6919 22.6919 27.5603 27.5603 34.1520 34.1520 37.4657 37.4657 occupation numbers 1.0000 1.0000 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 = 0.2308 0.5334 0.7433 ( 229 PWs) bands (ev): 11.0920 11.0920 11.9464 11.9464 19.6697 19.6697 24.4441 24.4441 26.3100 26.3100 33.8084 33.8084 35.0573 35.0573 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.5334-0.2610 ( 231 PWs) bands (ev): 9.9135 9.9135 13.5846 13.5846 18.1786 18.1786 25.5680 25.5680 27.9592 27.9592 32.1351 32.1351 35.6987 35.6987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.5334-0.1773 ( 235 PWs) bands (ev): 8.7720 8.7720 14.5657 14.5657 17.2907 17.2907 26.2197 26.2197 28.9023 28.9023 32.9650 32.9650 37.5289 37.5289 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.5334-0.0937 ( 234 PWs) bands (ev): 8.0101 8.0101 12.8800 12.8800 19.3332 19.3332 25.0886 25.0886 31.1161 31.1161 34.9847 34.9847 40.1529 40.1529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.5334-0.0100 ( 233 PWs) bands (ev): 7.6116 7.6116 11.0999 11.0999 20.8203 20.8203 25.1027 25.1027 33.8641 33.8641 37.0356 37.0356 42.2915 42.2915 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.5334 0.0737 ( 233 PWs) bands (ev): 7.4588 7.4588 9.8231 9.8231 20.3014 20.3014 27.6931 27.6931 36.2316 36.2316 38.9361 38.9361 38.9821 38.9821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308 0.5334 0.1574 ( 229 PWs) bands (ev): 7.2181 7.2181 9.4532 9.4532 19.4221 19.4221 30.7409 30.7409 34.3060 34.3060 39.4342 39.4342 40.5831 40.5831 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.4181-0.0804 ( 232 PWs) bands (ev): 4.6323 4.6323 12.9542 12.9542 20.1244 20.1244 30.2341 30.2341 33.7021 33.7021 37.5193 37.5193 42.6441 42.6441 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.4181 0.0033 ( 233 PWs) bands (ev): 4.4545 4.4545 14.3763 14.3763 19.9650 19.9650 27.0113 27.0113 33.5657 33.5657 38.9043 38.9043 42.2127 42.2127 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.4181 0.0870 ( 233 PWs) bands (ev): 4.7086 4.7086 16.0860 16.0860 20.0638 20.0638 24.0591 24.0591 32.6093 32.6093 35.9794 35.9794 44.3639 44.3640 occupation numbers 1.0000 1.0000 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 = 0.2308-0.4181 0.1707 ( 230 PWs) bands (ev): 5.3945 5.3945 17.8437 17.8437 19.6581 19.6581 22.4810 22.4810 31.7750 31.7750 31.9239 31.9239 44.2888 44.2888 occupation numbers 1.0000 1.0000 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 = 0.2308-0.4181 0.2544 ( 232 PWs) bands (ev): 6.5060 6.5060 17.4216 17.4216 19.6881 19.6881 23.2755 23.2755 28.2272 28.2272 31.4829 31.4829 41.0563 41.0563 occupation numbers 1.0000 1.0000 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 = 0.2308-0.4181 0.3381 ( 231 PWs) bands (ev): 8.0271 8.0271 15.3938 15.3938 19.9702 19.9702 24.5889 24.5889 26.5703 26.5703 31.6711 31.6711 37.8818 37.8818 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.4181 0.4218 ( 231 PWs) bands (ev): 9.9135 9.9135 13.5846 13.5846 18.1786 18.1786 25.5680 25.5680 27.9592 27.9592 32.1351 32.1351 35.6987 35.6987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.4181-0.5825 ( 236 PWs) bands (ev): 11.8504 11.8504 12.1808 12.1808 15.9018 15.9018 26.9596 26.9596 29.6427 29.6427 31.2455 31.2455 36.6935 36.6935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.4181-0.4988 ( 238 PWs) bands (ev): 10.6971 10.6971 12.4705 12.4705 15.8720 15.8720 27.1069 27.1069 30.5210 30.5210 32.0012 32.0012 39.4445 39.4445 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.4181-0.4151 ( 237 PWs) bands (ev): 9.2021 9.2021 11.4848 11.4848 18.4071 18.4071 25.7611 25.7611 32.0286 32.0286 34.3686 34.3686 41.6733 41.6733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.4181-0.3315 ( 233 PWs) bands (ev): 7.6116 7.6116 11.0999 11.0999 20.8203 20.8203 25.1027 25.1027 33.8641 33.8641 37.0356 37.0356 42.2915 42.2925 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.4181-0.2478 ( 233 PWs) bands (ev): 6.2436 6.2436 11.2704 11.2704 21.1951 21.1951 27.0658 27.0658 35.5083 35.5083 38.9828 38.9828 39.1488 39.1488 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.4181-0.1641 ( 232 PWs) bands (ev): 5.2348 5.2348 11.9036 11.9036 20.5960 20.5960 30.2957 30.2957 34.3188 34.3188 37.6256 37.6256 40.3102 40.3102 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388-0.0536 ( 230 PWs) bands (ev): 2.6633 2.6633 16.3214 16.3214 21.7723 21.7723 30.8651 30.8651 31.9814 31.9814 36.8232 36.8232 41.5884 41.5884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388 0.0301 ( 229 PWs) bands (ev): 2.6096 2.6096 17.7483 17.7483 21.6886 21.6886 28.2933 28.2933 31.2067 31.2067 37.2074 37.2074 40.9845 40.9845 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388 0.1138 ( 231 PWs) bands (ev): 2.9968 2.9968 19.3163 19.3163 21.7046 21.7046 25.9329 25.9329 30.1537 30.1537 33.4599 33.4599 43.8675 43.8676 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388 0.1975 ( 234 PWs) bands (ev): 3.8218 3.8218 20.6559 20.6559 21.0193 21.0193 24.7598 24.7598 29.6159 29.6159 29.7656 29.7656 44.4977 44.4977 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388 0.2812 ( 235 PWs) bands (ev): 5.0764 5.0764 19.1439 19.1439 20.9703 20.9703 24.8796 24.8796 27.4038 27.4038 30.2853 30.2853 41.5364 41.5364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388 0.3649 ( 234 PWs) bands (ev): 6.7431 6.7431 16.9539 16.9539 19.3241 19.3241 25.4119 25.4119 27.5516 27.5516 31.8804 31.8804 38.7083 38.7083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388 0.4486 ( 235 PWs) bands (ev): 8.7720 8.7720 14.5657 14.5657 17.2907 17.2907 26.2197 26.2197 28.9023 28.9023 32.9650 32.9650 37.5289 37.5289 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388-0.5557 ( 238 PWs) bands (ev): 10.6971 10.6971 12.4705 12.4705 15.8720 15.8720 27.1069 27.1069 30.5210 30.5210 32.0012 32.0012 39.4445 39.4445 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388-0.4720 ( 233 PWs) bands (ev): 9.2493 9.2493 13.6937 13.6937 15.5519 15.5519 27.7237 27.7237 29.8336 29.8336 33.7367 33.7367 41.4136 41.4136 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388-0.3884 ( 232 PWs) bands (ev): 7.1803 7.1803 13.9530 13.9530 17.8613 17.8613 26.8106 26.8106 30.5584 30.5584 36.3477 36.3477 41.7316 41.7317 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388-0.3047 ( 232 PWs) bands (ev): 5.4340 5.4340 14.0058 14.0058 20.7896 20.7896 25.8859 25.8859 32.2215 32.2215 38.2298 38.2298 41.5002 41.5002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388-0.2210 ( 231 PWs) bands (ev): 4.0843 4.0843 14.4060 14.4060 22.2690 22.2690 26.9691 26.9691 33.7347 33.7347 37.7430 37.7430 40.0820 40.0820 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.3388-0.1373 ( 228 PWs) bands (ev): 3.1567 3.1567 15.1857 15.1857 22.0791 22.0791 30.0031 30.0031 33.0987 33.0987 37.4457 37.4457 39.0057 39.0057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595-0.0268 ( 229 PWs) bands (ev): 1.0949 1.0949 19.8647 19.8647 23.3642 23.3642 29.6596 29.6596 32.1960 32.1960 37.0885 37.0885 40.4952 40.4953 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595 0.0569 ( 231 PWs) bands (ev): 1.1780 1.1780 21.1159 21.1159 23.0333 23.0333 28.7997 28.7997 30.6394 30.6394 36.0101 36.0101 40.1993 40.1993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595 0.1406 ( 230 PWs) bands (ev): 1.7055 1.7055 22.1658 22.1658 22.5481 22.5481 27.6350 27.6350 29.3766 29.3766 32.3387 32.3387 43.3365 43.3365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595 0.2243 ( 232 PWs) bands (ev): 2.6730 2.6730 21.3510 21.3510 22.4562 22.4562 25.9429 25.9429 29.1411 29.1411 30.8665 30.8665 44.8924 44.8925 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595 0.3080 ( 232 PWs) bands (ev): 4.0705 4.0705 18.9305 18.9305 21.6214 21.6214 25.3193 25.3193 28.3992 28.3992 32.7842 32.7842 42.2664 42.2664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595 0.3917 ( 233 PWs) bands (ev): 5.8761 5.8761 15.8541 15.8541 20.4827 20.4827 24.9355 24.9355 29.4083 29.4083 34.9200 34.9200 39.9627 39.9627 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595 0.4754 ( 234 PWs) bands (ev): 8.0101 8.0101 12.8800 12.8800 19.3332 19.3332 25.0886 25.0886 31.1161 31.1161 34.9847 34.9847 40.1529 40.1529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595-0.5290 ( 237 PWs) bands (ev): 9.2021 9.2021 11.4848 11.4848 18.4071 18.4071 25.7611 25.7611 32.0286 32.0286 34.3686 34.3686 41.6733 41.6733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595-0.4453 ( 232 PWs) bands (ev): 7.1803 7.1803 13.9530 13.9530 17.8613 17.8613 26.8106 26.8106 30.5584 30.5584 36.3477 36.3477 41.7316 41.7317 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595-0.3616 ( 229 PWs) bands (ev): 5.1527 5.1527 16.5572 16.5572 18.2285 18.2285 27.6233 27.6233 29.6672 29.6672 37.9434 37.9434 41.2169 41.2169 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595-0.2779 ( 232 PWs) bands (ev): 3.4977 3.4977 17.3147 17.3147 20.9263 20.9263 27.1279 27.1279 30.8855 30.8855 36.7825 36.7825 42.1887 42.1889 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595-0.1942 ( 228 PWs) bands (ev): 2.2603 2.2603 17.8873 17.8873 23.2786 23.2786 27.5124 27.5124 32.1501 32.1501 35.6655 35.6655 41.0068 41.0068 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.2595-0.1105 ( 229 PWs) bands (ev): 1.4567 1.4567 18.7447 18.7447 23.6298 23.6298 29.9245 29.9245 31.4091 31.4091 37.3398 37.3398 38.7367 38.7367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1802 0.0000 ( 226 PWs) bands (ev): -0.0433 -0.0433 22.7466 22.7466 24.2285 24.2285 30.1388 30.1388 32.2606 32.2606 37.4432 37.4432 39.7786 39.7786 occupation numbers 1.0000 1.0000 1.0000 1.0000 0.6945 0.6945 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1802 0.0837 ( 227 PWs) bands (ev): 0.1805 0.1805 22.2579 22.2579 24.5055 24.5055 30.3275 30.3275 30.7238 30.7238 36.6155 36.6155 39.3101 39.3101 occupation numbers 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 = 0.2308-0.1802 0.1674 ( 228 PWs) bands (ev): 0.8502 0.8502 21.4561 21.4561 23.9530 23.9530 28.3204 28.3204 31.5524 31.5524 33.9726 33.9726 41.5708 41.5709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1802 0.2511 ( 232 PWs) bands (ev): 1.9600 1.9600 20.3069 20.3069 21.7288 21.7288 27.9324 27.9324 30.8652 30.8652 34.5806 34.5806 42.2516 42.2516 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1802 0.3348 ( 232 PWs) bands (ev): 3.4977 3.4977 17.3147 17.3147 20.9263 20.9263 27.1279 27.1279 30.8855 30.8855 36.7825 36.7825 42.1886 42.1886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1802 0.4185 ( 232 PWs) bands (ev): 5.4340 5.4340 14.0058 14.0058 20.7896 20.7896 25.8859 25.8859 32.2215 32.2215 38.2298 38.2298 41.5002 41.5002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1802 0.5022 ( 233 PWs) bands (ev): 7.6116 7.6116 11.0999 11.0999 20.8203 20.8203 25.1027 25.1027 33.8641 33.8641 37.0356 37.0356 42.2915 42.2960 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1802-0.5022 ( 233 PWs) bands (ev): 7.6116 7.6116 11.0999 11.0999 20.8203 20.8203 25.1027 25.1027 33.8641 33.8641 37.0356 37.0356 42.2915 42.2915 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1802-0.4185 ( 232 PWs) bands (ev): 5.4340 5.4340 14.0058 14.0058 20.7896 20.7896 25.8859 25.8859 32.2215 32.2215 38.2298 38.2298 41.5002 41.5002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1802-0.3348 ( 232 PWs) bands (ev): 3.4977 3.4977 17.3147 17.3147 20.9263 20.9263 27.1279 27.1279 30.8855 30.8855 36.7825 36.7825 42.1886 42.1888 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1802-0.2511 ( 232 PWs) bands (ev): 1.9600 1.9600 20.3069 20.3069 21.7288 21.7288 27.9324 27.9324 30.8652 30.8652 34.5806 34.5806 42.2516 42.2516 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1802-0.1674 ( 228 PWs) bands (ev): 0.8502 0.8502 21.4561 21.4561 23.9530 23.9530 28.3204 28.3204 31.5524 31.5524 33.9726 33.9726 41.5708 41.5709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1802-0.0837 ( 227 PWs) bands (ev): 0.1805 0.1805 22.2579 22.2579 24.5055 24.5055 30.3275 30.3275 30.7238 30.7238 36.6155 36.6155 39.3101 39.3101 occupation numbers 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 = 0.2308-0.1009 0.0268 ( 223 PWs) bands (ev): -0.7395 -0.7395 21.9005 21.9005 27.0551 27.0551 31.8921 31.8921 32.9444 32.9444 36.2911 36.2911 40.2055 40.2055 occupation numbers 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 = 0.2308-0.1009 0.1105 ( 228 PWs) bands (ev): -0.3737 -0.3737 20.7798 20.7798 26.3491 26.3491 30.5644 30.5644 34.0204 34.0204 37.0678 37.0678 38.9510 38.9510 occupation numbers 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 = 0.2308-0.1009 0.1942 ( 229 PWs) bands (ev): 0.4381 0.4381 19.8851 19.8851 23.3676 23.3676 30.3823 30.3823 34.7095 34.7095 37.4902 37.4902 37.9368 37.9368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1009 0.2779 ( 230 PWs) bands (ev): 1.6885 1.6885 18.8186 18.8186 20.1895 20.1895 30.6201 30.6201 33.8337 33.8337 37.9182 37.9182 39.1256 39.1256 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1009 0.3616 ( 230 PWs) bands (ev): 3.3623 3.3623 15.6824 15.6824 19.5336 19.5336 29.9289 29.9289 33.9852 33.9852 38.0642 38.0642 41.0872 41.0872 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1009 0.4453 ( 233 PWs) bands (ev): 5.4161 5.4161 12.3904 12.3904 19.7201 19.7201 28.7195 28.7195 35.1260 35.1260 38.4305 38.4305 40.7196 40.7197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1009 0.5290 ( 233 PWs) bands (ev): 7.4588 7.4588 9.8231 9.8231 20.3014 20.3014 27.6931 27.6931 36.2316 36.2316 38.9361 38.9361 38.9821 38.9821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1009-0.4754 ( 233 PWs) bands (ev): 6.2436 6.2436 11.2704 11.2704 21.1951 21.1951 27.0658 27.0658 35.5083 35.5083 38.9828 38.9828 39.1488 39.1488 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1009-0.3917 ( 231 PWs) bands (ev): 4.0843 4.0843 14.4060 14.4060 22.2690 22.2690 26.9691 26.9691 33.7347 33.7347 37.7430 37.7430 40.0820 40.0821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1009-0.3080 ( 228 PWs) bands (ev): 2.2603 2.2603 17.8873 17.8873 23.2786 23.2786 27.5124 27.5124 32.1501 32.1501 35.6655 35.6655 41.0068 41.0068 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1009-0.2243 ( 228 PWs) bands (ev): 0.8502 0.8502 21.4561 21.4561 23.9530 23.9530 28.3204 28.3204 31.5524 31.5524 33.9726 33.9726 41.5708 41.5709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.1009-0.1406 ( 227 PWs) bands (ev): -0.1252 -0.1252 23.8735 23.8735 24.6866 24.6866 28.8267 28.8267 32.5743 32.5743 33.6016 33.6016 41.7461 41.7461 occupation numbers 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 = 0.2308-0.1009-0.0569 ( 224 PWs) bands (ev): -0.6565 -0.6565 23.0948 23.0948 26.3794 26.3794 30.5639 30.5639 32.5036 32.5036 36.5672 36.5672 38.5859 38.5859 occupation numbers 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 = 0.2308-0.0216 0.0536 ( 224 PWs) bands (ev): -0.9882 -0.9882 20.3580 20.3580 29.2230 29.2230 32.1062 32.1062 33.3786 33.3786 36.4373 36.4373 40.4208 40.4209 occupation numbers 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 = 0.2308-0.0216 0.1373 ( 229 PWs) bands (ev): -0.4805 -0.4805 19.2253 19.2253 26.0577 26.0577 31.8733 31.8733 34.2355 34.2355 37.7769 37.7769 41.8453 41.8453 occupation numbers 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 = 0.2308-0.0216 0.2210 ( 226 PWs) bands (ev): 0.4721 0.4721 18.4012 18.4012 22.1428 22.1428 31.5932 31.5932 35.2113 35.2113 38.3631 38.3631 41.7363 41.7363 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.0216 0.3047 ( 226 PWs) bands (ev): 1.8602 1.8602 17.4539 17.4539 18.7879 18.7879 31.4329 31.4329 35.8907 35.8907 37.4205 37.4205 43.5453 43.5453 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.0216 0.3884 ( 227 PWs) bands (ev): 3.6640 3.6640 14.3370 14.3370 18.2712 18.2712 31.3290 31.3290 35.1674 35.1674 38.0610 38.0610 44.2522 44.2522 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.0216 0.4720 ( 232 PWs) bands (ev): 5.8122 5.8122 11.1546 11.1546 18.6304 18.6304 31.1407 31.1407 34.4092 34.4092 39.3953 39.3953 41.9224 41.9224 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.0216 0.5557 ( 229 PWs) bands (ev): 7.2181 7.2181 9.4532 9.4532 19.4221 19.4221 30.7409 30.7409 34.3060 34.3060 39.4342 39.4342 40.5831 40.5831 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.0216-0.4486 ( 232 PWs) bands (ev): 5.2348 5.2348 11.9036 11.9036 20.5960 20.5960 30.2957 30.2957 34.3188 34.3188 37.6256 37.6256 40.3102 40.3102 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.0216-0.3649 ( 228 PWs) bands (ev): 3.1567 3.1567 15.1857 15.1857 22.0791 22.0791 30.0031 30.0031 33.0987 33.0987 37.4457 37.4457 39.0057 39.0057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.0216-0.2812 ( 229 PWs) bands (ev): 1.4567 1.4567 18.7447 18.7447 23.6298 23.6298 29.9245 29.9245 31.4091 31.4091 37.3398 37.3398 38.7367 38.7367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2308-0.0216-0.1975 ( 227 PWs) bands (ev): 0.1805 0.1805 22.2579 22.2579 24.5055 24.5055 30.3275 30.3275 30.7238 30.7238 36.6155 36.6155 39.3101 39.3101 occupation numbers 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 = 0.2308-0.0216-0.1138 ( 224 PWs) bands (ev): -0.6565 -0.6565 23.0948 23.0948 26.3794 26.3794 30.5639 30.5639 32.5036 32.5036 36.5672 36.5672 38.5859 38.5859 occupation numbers 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 = 0.2308-0.0216-0.0301 ( 223 PWs) bands (ev): -1.0470 -1.0470 21.7411 21.7411 29.3516 29.3516 30.6370 30.6370 35.0269 35.0269 35.9749 35.9749 37.9479 37.9479 occupation numbers 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 = 0.3077 0.0769 0.1072 ( 231 PWs) bands (ev): 0.7702 0.7702 15.0954 15.0954 28.5942 28.5942 29.4227 29.4227 33.4280 33.4280 37.1825 37.1825 44.2336 44.2338 occupation numbers 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 = 0.3077 0.0769 0.1909 ( 231 PWs) bands (ev): 1.5502 1.5502 14.1290 14.1290 25.0087 25.0087 28.4429 28.4429 35.3840 35.3840 39.2066 39.2066 45.3885 45.3885 occupation numbers 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 = 0.3077 0.0769 0.2745 ( 231 PWs) bands (ev): 2.7648 2.7648 13.5586 13.5586 21.0240 21.0240 28.0819 28.0819 36.7179 36.7179 41.6900 41.6900 44.6956 44.6956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.0769 0.3582 ( 229 PWs) bands (ev): 4.3979 4.3979 13.3636 13.3636 17.3282 17.3282 28.0168 28.0168 37.8411 37.8411 41.7084 41.7084 44.5772 44.5772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.0769 0.4419 ( 233 PWs) bands (ev): 6.4083 6.4083 13.0363 13.0363 14.5509 14.5509 28.2751 28.2751 38.0831 38.0831 41.2258 41.2258 42.3909 42.3909 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.0769 0.5256 ( 230 PWs) bands (ev): 8.5047 8.5047 10.8609 10.8609 14.7245 14.7245 28.8433 28.8433 36.4680 36.4680 39.9676 39.9676 41.9070 41.9070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.0769 0.6093 ( 233 PWs) bands (ev): 7.5177 7.5177 11.9726 11.9726 15.8692 15.8692 29.6159 29.6159 33.8308 33.8308 38.3454 38.3454 42.1546 42.1546 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.0769-0.3950 ( 231 PWs) bands (ev): 5.3532 5.3532 14.8212 14.8212 17.5546 17.5546 29.6906 29.6906 31.8517 31.8517 37.3129 37.3129 41.6087 41.6087 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.0769-0.3113 ( 230 PWs) bands (ev): 3.5161 3.5161 17.7083 17.7083 19.6816 19.6816 27.7279 27.7279 32.2661 32.2661 36.8051 36.8051 41.1018 41.1019 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.0769-0.2276 ( 230 PWs) bands (ev): 2.0896 2.0896 20.3436 20.3436 21.1383 21.1383 27.1328 27.1328 32.5592 32.5592 37.0077 37.0077 40.9996 40.9996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.0769-0.1439 ( 229 PWs) bands (ev): 1.0949 1.0949 19.8647 19.8647 23.3642 23.3642 29.6596 29.6596 32.1960 32.1960 37.0885 37.0885 40.4952 40.4952 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.0769-0.0602 ( 225 PWs) bands (ev): 0.5412 0.5412 18.0950 18.0950 26.2234 26.2234 31.5682 31.5682 33.0982 33.0982 36.0667 36.0667 40.5888 40.5889 occupation numbers 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 = 0.3077 0.0769 0.0235 ( 229 PWs) bands (ev): 0.4328 0.4328 16.4378 16.4378 28.5610 28.5610 31.5042 31.5042 32.8722 32.8722 36.1852 36.1852 41.3172 41.3172 occupation numbers 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 = 0.3077 0.1562 0.1340 ( 231 PWs) bands (ev): 1.5502 1.5502 14.1290 14.1290 25.0087 25.0087 28.4429 28.4429 35.3840 35.3840 39.2066 39.2066 45.3885 45.3886 occupation numbers 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 = 0.3077 0.1562 0.2176 ( 232 PWs) bands (ev): 2.4638 2.4638 13.2870 13.2870 23.9944 23.9944 24.7203 24.7203 38.4736 38.4736 40.6041 40.6041 47.6237 47.6238 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.1562 0.3013 ( 235 PWs) bands (ev): 3.8053 3.8053 12.8502 12.8502 20.3347 20.3347 24.0956 24.0956 40.3147 40.3147 43.0821 43.0821 46.6975 46.6975 occupation numbers 1.0000 1.0000 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 = 0.3077 0.1562 0.3850 ( 230 PWs) bands (ev): 5.5527 5.5527 12.7945 12.7945 16.7537 16.7537 24.0943 24.0943 41.0390 41.0390 44.4593 44.4593 45.0342 45.0342 occupation numbers 1.0000 1.0000 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 = 0.3077 0.1562 0.4687 ( 231 PWs) bands (ev): 7.6425 7.6425 12.5918 12.5918 14.1463 14.1463 24.4747 24.4747 39.5275 39.5275 43.2613 43.2613 44.6957 44.6957 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.1562 0.5524 ( 231 PWs) bands (ev): 9.2729 9.2729 11.0603 11.0603 14.5110 14.5110 25.2147 25.2147 36.2894 36.2894 41.9355 41.9355 44.7207 44.7208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.1562 0.6361 ( 233 PWs) bands (ev): 7.3851 7.3851 13.1635 13.1635 15.9094 15.9094 26.2441 26.2441 32.9304 32.9304 40.3012 40.3012 44.1643 44.1645 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.1562-0.3682 ( 230 PWs) bands (ev): 5.3068 5.3068 15.7911 15.7911 17.9896 17.9896 27.1798 27.1798 30.2804 30.2804 38.4872 38.4872 42.6468 42.6468 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.1562-0.2845 ( 230 PWs) bands (ev): 3.5996 3.5996 18.2578 18.2578 20.2934 20.2934 26.6897 26.6897 30.1476 30.1476 36.7556 36.7556 41.1062 41.1062 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.1562-0.2008 ( 230 PWs) bands (ev): 2.3111 2.3111 20.0650 20.0650 21.3166 21.3166 27.6405 27.6405 30.8664 30.8664 36.0350 36.0350 39.8507 39.8507 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.1562-0.1171 ( 229 PWs) bands (ev): 1.4567 1.4567 18.7447 18.7447 23.6298 23.6298 29.9245 29.9245 31.4091 31.4091 37.3398 37.3398 38.7367 38.7367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.1562-0.0334 ( 226 PWs) bands (ev): 1.0438 1.0438 16.9438 16.9438 25.6720 25.6720 29.7850 29.7850 34.9281 34.9281 36.5475 36.5475 40.2606 40.2606 occupation numbers 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 = 0.3077 0.1562 0.0503 ( 230 PWs) bands (ev): 1.0753 1.0753 15.3624 15.3624 25.7730 25.7730 31.1604 31.1604 33.5960 33.5960 37.7613 37.7613 42.8462 42.8463 occupation numbers 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 = 0.3077 0.2355 0.1607 ( 231 PWs) bands (ev): 2.7648 2.7648 13.5586 13.5586 21.0240 21.0240 28.0819 28.0819 36.7179 36.7179 41.6900 41.6900 44.6956 44.6956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.2355 0.2444 ( 235 PWs) bands (ev): 3.8053 3.8053 12.8502 12.8502 20.3347 20.3347 24.0956 24.0956 40.3147 40.3147 43.0821 43.0821 46.6974 46.6975 occupation numbers 1.0000 1.0000 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 = 0.3077 0.2355 0.3281 ( 237 PWs) bands (ev): 5.2628 5.2628 12.5534 12.5534 19.4846 19.4846 20.8363 20.8363 43.4984 43.4984 43.8147 43.8147 46.8572 46.8572 occupation numbers 1.0000 1.0000 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 = 0.3077 0.2355 0.4118 ( 238 PWs) bands (ev): 7.1058 7.1058 12.6422 12.6422 16.5197 16.5197 20.4634 20.4634 42.3340 42.3340 45.1819 45.1819 46.2613 46.2613 occupation numbers 1.0000 1.0000 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 = 0.3077 0.2355 0.4955 ( 236 PWs) bands (ev): 9.2280 9.2280 12.5536 12.5536 14.1738 14.1738 20.9485 20.9485 39.0195 39.0195 44.2649 44.2649 44.9542 44.9542 occupation numbers 1.0000 1.0000 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 = 0.3077 0.2355 0.5792 ( 233 PWs) bands (ev): 9.8184 9.8184 12.1448 12.1448 14.8064 14.8064 21.8655 21.8655 35.3069 35.3069 41.4815 41.4815 44.2690 44.2690 occupation numbers 1.0000 1.0000 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 = 0.3077 0.2355 0.6629 ( 234 PWs) bands (ev): 7.6545 7.6545 14.3936 14.3936 16.6108 16.6108 23.1608 23.1608 31.8075 31.8075 38.3384 38.3384 43.8647 43.8647 occupation numbers 1.0000 1.0000 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 = 0.3077 0.2355-0.3414 ( 236 PWs) bands (ev): 5.6920 5.6920 16.6068 16.6068 19.0550 19.0550 24.7380 24.7380 28.9481 28.9481 35.4162 35.4162 43.4825 43.4825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.2355-0.2577 ( 233 PWs) bands (ev): 4.1214 4.1214 18.7581 18.7581 20.8605 20.8605 26.3307 26.3307 27.8222 27.8222 33.1851 33.1851 43.0377 43.0377 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.2355-0.1740 ( 232 PWs) bands (ev): 2.9735 2.9735 19.5051 19.5051 21.6956 21.6956 27.5985 27.5985 29.0871 29.0871 33.0135 33.0135 42.4406 42.4406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.2355-0.0903 ( 228 PWs) bands (ev): 2.2603 2.2603 17.8873 17.8873 23.2786 23.2786 27.5124 27.5124 32.1501 32.1501 35.6655 35.6655 41.0068 41.0069 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.2355-0.0066 ( 229 PWs) bands (ev): 1.9875 1.9875 16.1418 16.1418 23.0475 23.0475 29.2503 29.2503 35.2115 35.2115 37.8579 37.8579 39.5941 39.5941 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.2355 0.0771 ( 231 PWs) bands (ev): 2.1565 2.1565 14.6674 14.6674 21.9871 21.9871 31.1616 31.1616 34.2961 34.2961 39.0477 39.0477 43.1071 43.1071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.3148 0.1875 ( 229 PWs) bands (ev): 4.3979 4.3979 13.3636 13.3636 17.3282 17.3282 28.0168 28.0168 37.8411 37.8411 41.7084 41.7084 44.5772 44.5772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.3148 0.2712 ( 230 PWs) bands (ev): 5.5527 5.5527 12.7945 12.7945 16.7537 16.7537 24.0943 24.0943 41.0390 41.0390 44.4593 44.4593 45.0342 45.0342 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3148 0.3549 ( 238 PWs) bands (ev): 7.1058 7.1058 12.6422 12.6422 16.5197 16.5197 20.4634 20.4634 42.3340 42.3340 45.1819 45.1819 46.2613 46.2614 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3148 0.4386 ( 242 PWs) bands (ev): 9.0072 9.0072 12.8864 12.8864 16.0358 16.0358 17.9029 17.9029 41.5036 41.5036 42.5992 42.5992 45.0313 45.0313 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3148 0.5223 ( 236 PWs) bands (ev): 11.0740 11.0740 12.9231 12.9231 14.4721 14.4721 18.0488 18.0488 38.1926 38.1926 41.2431 41.2431 41.7027 41.7027 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3148 0.6060 ( 233 PWs) bands (ev): 10.4828 10.4828 13.5501 13.5501 15.5096 15.5096 19.2064 19.2064 34.4123 34.4123 37.7829 37.7829 41.0269 41.0269 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3148 0.6897 ( 232 PWs) bands (ev): 8.3367 8.3367 15.4878 15.4878 17.5712 17.5712 20.9847 20.9847 30.9468 30.9468 34.3567 34.3567 40.8805 40.8805 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3148-0.3146 ( 232 PWs) bands (ev): 6.5060 6.5060 17.4216 17.4216 19.6881 19.6881 23.2755 23.2755 28.2272 28.2272 31.4829 31.4829 41.0563 41.0563 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3148-0.2309 ( 235 PWs) bands (ev): 5.0764 5.0764 19.1439 19.1439 20.9703 20.9703 24.8796 24.8796 27.4038 27.4038 30.2853 30.2853 41.5364 41.5364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.3148-0.1472 ( 232 PWs) bands (ev): 4.0705 4.0705 18.9305 18.9305 21.6214 21.6214 25.3193 25.3193 28.3992 28.3992 32.7842 32.7842 42.2664 42.2664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.3148-0.0635 ( 232 PWs) bands (ev): 3.4977 3.4977 17.3147 17.3147 20.9263 20.9263 27.1279 27.1279 30.8855 30.8855 36.7825 36.7825 42.1886 42.1886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.3148 0.0201 ( 230 PWs) bands (ev): 3.3623 3.3623 15.6824 15.6824 19.5336 19.5336 29.9289 29.9289 33.9852 33.9852 38.0642 38.0642 41.0872 41.0872 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.3148 0.1038 ( 227 PWs) bands (ev): 3.6640 3.6640 14.3370 14.3370 18.2712 18.2712 31.3290 31.3290 35.1674 35.1674 38.0610 38.0610 44.2522 44.2522 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.3941 0.2143 ( 233 PWs) bands (ev): 6.4083 6.4083 13.0363 13.0363 14.5509 14.5509 28.2751 28.2751 38.0831 38.0831 41.2258 41.2258 42.3909 42.3909 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.3941 0.2980 ( 231 PWs) bands (ev): 7.6425 7.6425 12.5918 12.5918 14.1463 14.1463 24.4747 24.4747 39.5275 39.5275 43.2613 43.2613 44.6957 44.6958 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.3941 0.3817 ( 236 PWs) bands (ev): 9.2280 9.2280 12.5536 12.5536 14.1738 14.1738 20.9485 20.9485 39.0195 39.0195 44.2648 44.2648 44.9542 44.9542 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3941 0.4654 ( 236 PWs) bands (ev): 11.0740 11.0740 12.9231 12.9231 14.4721 14.4721 18.0488 18.0488 38.1926 38.1926 41.2431 41.2431 41.7027 41.7027 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3941 0.5491 ( 228 PWs) bands (ev): 12.9715 12.9715 13.6661 13.6661 13.7189 13.7189 17.3410 17.3410 37.4282 37.4282 37.6319 37.6319 37.6429 37.6429 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3941 0.6328 ( 231 PWs) bands (ev): 11.4611 11.4611 14.8320 14.8320 14.9926 14.9926 19.0784 19.0784 33.6816 33.6816 33.9320 33.9320 37.2216 37.2216 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3941 0.7165 ( 226 PWs) bands (ev): 9.4261 9.4261 16.2787 16.2787 16.9540 16.9540 21.5811 21.5811 30.1405 30.1405 30.8487 30.8487 37.2566 37.2566 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3941-0.2878 ( 231 PWs) bands (ev): 7.7388 7.7388 17.8062 17.8062 19.0505 19.0505 23.5120 23.5120 27.3128 27.3128 29.2784 29.2784 37.6958 37.6958 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3941-0.2041 ( 231 PWs) bands (ev): 6.4533 6.4533 18.6980 18.6980 20.8770 20.8770 23.2790 23.2790 25.9504 25.9504 31.0980 31.0980 38.5694 38.5694 occupation numbers 1.0000 1.0000 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 = 0.3077 0.3941-0.1204 ( 232 PWs) bands (ev): 5.5887 5.5887 18.0422 18.0422 20.0302 20.0302 24.8353 24.8353 26.9765 26.9765 34.5363 34.5363 39.9126 39.9126 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.3941-0.0368 ( 229 PWs) bands (ev): 5.1527 5.1527 16.5572 16.5572 18.2285 18.2285 27.6233 27.6233 29.6672 29.6672 37.9434 37.9434 41.2169 41.2169 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.3941 0.0469 ( 229 PWs) bands (ev): 5.1474 5.1474 15.0777 15.0777 16.6292 16.6292 30.5126 30.5126 33.1601 33.1601 38.0775 38.0775 40.5627 40.5627 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.3941 0.1306 ( 227 PWs) bands (ev): 5.5694 5.5694 13.8755 13.8755 15.3867 15.3867 31.5447 31.5447 35.9409 35.9409 37.1107 37.1107 42.0681 42.0681 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.4734 0.2411 ( 230 PWs) bands (ev): 8.5047 8.5047 10.8609 10.8609 14.7245 14.7245 28.8433 28.8433 36.4680 36.4680 39.9676 39.9676 41.9070 41.9070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.4734 0.3248 ( 231 PWs) bands (ev): 9.2729 9.2729 11.0603 11.0603 14.5110 14.5110 25.2147 25.2147 36.2894 36.2894 41.9355 41.9355 44.7207 44.7207 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.4734 0.4085 ( 233 PWs) bands (ev): 9.8184 9.8184 12.1448 12.1448 14.8064 14.8064 21.8655 21.8655 35.3069 35.3069 41.4815 41.4815 44.2690 44.2690 occupation numbers 1.0000 1.0000 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 = 0.3077 0.4734 0.4922 ( 233 PWs) bands (ev): 10.4828 10.4828 13.5501 13.5501 15.5096 15.5096 19.2064 19.2064 34.4123 34.4123 37.7829 37.7829 41.0269 41.0269 occupation numbers 1.0000 1.0000 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 = 0.3077 0.4734 0.5759 ( 231 PWs) bands (ev): 11.4611 11.4611 14.8320 14.8320 14.9926 14.9926 19.0784 19.0784 33.6816 33.6816 33.9320 33.9320 37.2216 37.2216 occupation numbers 1.0000 1.0000 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 = 0.3077 0.4734 0.6596 ( 231 PWs) bands (ev): 12.4643 12.4643 13.2220 13.2220 16.4198 16.4198 21.1874 21.1874 30.1247 30.1247 33.2381 33.2381 34.0351 34.0351 occupation numbers 1.0000 1.0000 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 = 0.3077 0.4734 0.7433 ( 227 PWs) bands (ev): 10.8917 10.8917 14.5817 14.5817 18.0247 18.0247 23.2264 23.2264 27.3542 27.3542 30.5971 30.5971 34.0888 34.0888 occupation numbers 1.0000 1.0000 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 = 0.3077 0.4734-0.2610 ( 230 PWs) bands (ev): 9.3668 9.3668 16.3557 16.3557 19.3460 19.3460 23.1612 23.1612 26.0581 26.0581 30.1407 30.1407 35.0706 35.0706 occupation numbers 1.0000 1.0000 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 = 0.3077 0.4734-0.1773 ( 232 PWs) bands (ev): 8.2267 8.2267 17.0540 17.0540 19.7244 19.7244 23.0069 23.0069 25.5700 25.5700 32.2188 32.2188 37.0398 37.0398 occupation numbers 1.0000 1.0000 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 = 0.3077 0.4734-0.0937 ( 234 PWs) bands (ev): 7.4961 7.4961 15.6698 15.6698 19.3102 19.3102 24.0993 24.0993 27.5536 27.5536 34.3789 34.3789 39.9808 39.9808 occupation numbers 1.0000 1.0000 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 = 0.3077 0.4734-0.0100 ( 232 PWs) bands (ev): 7.1803 7.1803 13.9530 13.9530 17.8613 17.8613 26.8106 26.8106 30.5584 30.5584 36.3477 36.3477 41.7316 41.7317 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.4734 0.0737 ( 234 PWs) bands (ev): 7.2718 7.2718 12.4894 12.4894 16.4637 16.4637 29.9270 29.9270 33.9528 33.9528 37.6271 37.6271 38.9204 38.9204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.4734 0.1574 ( 235 PWs) bands (ev): 7.7429 7.7429 11.4221 11.4221 15.3914 15.3914 31.7467 31.7467 35.1012 35.1012 38.0624 38.0624 39.5021 39.5021 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.5526 0.2679 ( 233 PWs) bands (ev): 7.5177 7.5177 11.9726 11.9726 15.8692 15.8692 29.6159 29.6159 33.8308 33.8308 38.3454 38.3454 42.1546 42.1546 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.5526 0.3516 ( 233 PWs) bands (ev): 7.3851 7.3851 13.1635 13.1635 15.9094 15.9094 26.2441 26.2441 32.9304 32.9304 40.3012 40.3012 44.1643 44.1643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.5526 0.4353 ( 234 PWs) bands (ev): 7.6545 7.6545 14.3936 14.3936 16.6108 16.6108 23.1608 23.1608 31.8075 31.8075 38.3384 38.3384 43.8648 43.8648 occupation numbers 1.0000 1.0000 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 = 0.3077 0.5526 0.5190 ( 232 PWs) bands (ev): 8.3367 8.3367 15.4878 15.4878 17.5712 17.5712 20.9847 20.9847 30.9468 30.9468 34.3567 34.3567 40.8805 40.8805 occupation numbers 1.0000 1.0000 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 = 0.3077 0.5526 0.6027 ( 226 PWs) bands (ev): 9.4261 9.4261 16.2787 16.2787 16.9540 16.9540 21.5811 21.5811 30.1405 30.1405 30.8487 30.8487 37.2566 37.2566 occupation numbers 1.0000 1.0000 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 = 0.3077 0.5526 0.6864 ( 227 PWs) bands (ev): 10.8917 10.8917 14.5817 14.5817 18.0247 18.0247 23.2264 23.2264 27.3542 27.3542 30.5971 30.5971 34.0888 34.0888 occupation numbers 1.0000 1.0000 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 = 0.3077 0.5526 0.7701 ( 226 PWs) bands (ev): 12.3441 12.3441 13.2139 13.2139 18.9164 18.9164 23.0853 23.0853 26.9324 26.9324 29.8157 29.8157 33.3473 33.3473 occupation numbers 1.0000 1.0000 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 = 0.3077 0.5526-0.2343 ( 232 PWs) bands (ev): 11.3229 11.3229 14.7160 14.7160 18.1265 18.1265 23.4204 23.4204 26.5029 26.5029 29.4743 29.4743 35.6218 35.6218 occupation numbers 1.0000 1.0000 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 = 0.3077 0.5526-0.1506 ( 235 PWs) bands (ev): 10.3103 10.3103 14.7193 14.7193 18.2747 18.2747 23.4227 23.4227 26.7834 26.7834 30.7130 30.7130 38.9578 38.9578 occupation numbers 1.0000 1.0000 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 = 0.3077 0.5526-0.0669 ( 239 PWs) bands (ev): 9.6354 9.6354 12.9836 12.9836 19.2658 19.2658 23.3458 23.3458 29.1831 29.1831 32.3870 32.3870 41.9992 41.9993 occupation numbers 1.0000 1.0000 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 = 0.3077 0.5526 0.0168 ( 237 PWs) bands (ev): 9.2021 9.2021 11.4848 11.4848 18.4071 18.4071 25.7611 25.7611 32.0286 32.0286 34.3686 34.3686 41.6733 41.6734 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.5526 0.1005 ( 238 PWs) bands (ev): 8.6864 8.6864 10.8158 10.8158 17.2381 17.2381 29.0048 29.0048 34.6262 34.6262 36.3087 36.3087 38.6783 38.6783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077 0.5526 0.1842 ( 233 PWs) bands (ev): 8.0065 8.0065 11.1030 11.1030 16.3465 16.3465 31.7409 31.7409 33.8534 33.8534 37.4726 37.4726 38.8603 38.8603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3988-0.0536 ( 231 PWs) bands (ev): 5.3532 5.3532 14.8212 14.8212 17.5546 17.5546 29.6906 29.6906 31.8517 31.8517 37.3129 37.3129 41.6087 41.6088 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3988 0.0301 ( 230 PWs) bands (ev): 5.3068 5.3068 15.7911 15.7911 17.9896 17.9896 27.1798 27.1798 30.2804 30.2804 38.4872 38.4872 42.6467 42.6467 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3988 0.1138 ( 236 PWs) bands (ev): 5.6920 5.6920 16.6068 16.6068 19.0550 19.0550 24.7380 24.7380 28.9481 28.9481 35.4162 35.4162 43.4825 43.4825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3988 0.1975 ( 232 PWs) bands (ev): 6.5060 6.5060 17.4216 17.4216 19.6881 19.6881 23.2755 23.2755 28.2272 28.2272 31.4829 31.4829 41.0563 41.0563 occupation numbers 1.0000 1.0000 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 = 0.3077-0.3988 0.2812 ( 231 PWs) bands (ev): 7.7388 7.7388 17.8062 17.8062 19.0505 19.0505 23.5120 23.5120 27.3128 27.3128 29.2784 29.2784 37.6958 37.6958 occupation numbers 1.0000 1.0000 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 = 0.3077-0.3988 0.3649 ( 230 PWs) bands (ev): 9.3668 9.3668 16.3557 16.3557 19.3460 19.3460 23.1612 23.1612 26.0581 26.0581 30.1407 30.1407 35.0706 35.0706 occupation numbers 1.0000 1.0000 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 = 0.3077-0.3988 0.4486 ( 232 PWs) bands (ev): 11.3229 11.3229 14.7160 14.7160 18.1265 18.1265 23.4204 23.4204 26.5029 26.5029 29.4743 29.4743 35.6218 35.6218 occupation numbers 1.0000 1.0000 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 = 0.3077-0.3988-0.5557 ( 236 PWs) bands (ev): 13.1076 13.1076 13.3012 13.3012 16.4402 16.4402 24.5678 24.5678 27.5392 27.5392 27.7970 27.7970 38.6178 38.6178 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3988-0.4720 ( 239 PWs) bands (ev): 11.4466 11.4466 13.4811 13.4811 17.2784 17.2784 24.1667 24.1667 27.6102 27.6102 29.7789 29.7789 41.6296 41.6296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9953 0.9953 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3988-0.3884 ( 239 PWs) bands (ev): 9.6354 9.6354 12.9836 12.9836 19.2658 19.2658 23.3458 23.3458 29.1831 29.1831 32.3870 32.3870 41.9992 41.9992 occupation numbers 1.0000 1.0000 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 = 0.3077-0.3988-0.3047 ( 234 PWs) bands (ev): 8.0101 8.0101 12.8800 12.8800 19.3332 19.3332 25.0886 25.0886 31.1161 31.1161 34.9847 34.9847 40.1529 40.1529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3988-0.2210 ( 234 PWs) bands (ev): 6.7221 6.7221 13.1939 13.1939 18.4620 18.4620 28.2765 28.2765 32.7224 32.7224 36.2329 36.2329 38.9755 38.9755 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3988-0.1373 ( 230 PWs) bands (ev): 5.8285 5.8285 13.8762 13.8762 17.7813 17.7813 31.1794 31.1794 32.0376 32.0376 36.9944 36.9944 38.4520 38.4520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3195-0.0268 ( 230 PWs) bands (ev): 3.5161 3.5161 17.7083 17.7083 19.6816 19.6816 27.7279 27.7279 32.2661 32.2661 36.8051 36.8051 41.1018 41.1018 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3195 0.0569 ( 230 PWs) bands (ev): 3.5996 3.5996 18.2578 18.2578 20.2934 20.2934 26.6897 26.6897 30.1476 30.1476 36.7556 36.7556 41.1062 41.1062 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3195 0.1406 ( 233 PWs) bands (ev): 4.1214 4.1214 18.7581 18.7581 20.8605 20.8605 26.3307 26.3307 27.8222 27.8222 33.1851 33.1851 43.0377 43.0377 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3195 0.2243 ( 235 PWs) bands (ev): 5.0764 5.0764 19.1439 19.1439 20.9703 20.9703 24.8796 24.8796 27.4038 27.4038 30.2853 30.2853 41.5364 41.5364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3195 0.3080 ( 231 PWs) bands (ev): 6.4533 6.4533 18.6980 18.6980 20.8770 20.8770 23.2790 23.2790 25.9504 25.9504 31.0980 31.0980 38.5694 38.5694 occupation numbers 1.0000 1.0000 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 = 0.3077-0.3195 0.3917 ( 232 PWs) bands (ev): 8.2267 8.2267 17.0540 17.0540 19.7244 19.7244 23.0069 23.0069 25.5700 25.5700 32.2188 32.2188 37.0398 37.0398 occupation numbers 1.0000 1.0000 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 = 0.3077-0.3195 0.4754 ( 235 PWs) bands (ev): 10.3103 10.3103 14.7193 14.7193 18.2747 18.2747 23.4227 23.4227 26.7834 26.7834 30.7130 30.7130 38.9578 38.9578 occupation numbers 1.0000 1.0000 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 = 0.3077-0.3195-0.5290 ( 239 PWs) bands (ev): 11.4466 11.4466 13.4811 13.4811 17.2784 17.2784 24.1667 24.1667 27.6102 27.6102 29.7789 29.7789 41.6296 41.6296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9953 0.9953 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3195-0.4453 ( 237 PWs) bands (ev): 9.4703 9.4703 15.2540 15.2540 17.2738 17.2738 24.7962 24.7962 26.5351 26.5351 31.9527 31.9527 41.8591 41.8591 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3195-0.3616 ( 234 PWs) bands (ev): 7.4961 7.4961 15.6698 15.6698 19.3102 19.3102 24.0993 24.0993 27.5536 27.5536 34.3789 34.3789 39.9808 39.9808 occupation numbers 1.0000 1.0000 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 = 0.3077-0.3195-0.2779 ( 233 PWs) bands (ev): 5.8761 5.8761 15.8541 15.8541 20.4827 20.4827 24.9355 24.9355 29.4083 29.4083 34.9200 34.9200 39.9627 39.9627 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3195-0.1942 ( 233 PWs) bands (ev): 4.6612 4.6612 16.3030 16.3030 20.0474 20.0474 27.8136 27.8136 30.6373 30.6373 34.5373 34.5373 40.6684 40.6684 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.3195-0.1105 ( 231 PWs) bands (ev): 3.8712 3.8712 16.9879 16.9879 19.6161 19.6161 29.1188 29.1188 31.2982 31.2982 36.5813 36.5813 38.7204 38.7204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.2403-0.0000 ( 230 PWs) bands (ev): 2.0896 2.0896 20.3436 20.3436 21.1383 21.1383 27.1328 27.1328 32.5592 32.5592 37.0077 37.0077 40.9996 40.9996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.2403 0.0837 ( 230 PWs) bands (ev): 2.3111 2.3111 20.0650 20.0650 21.3166 21.3166 27.6405 27.6405 30.8664 30.8664 36.0350 36.0350 39.8507 39.8507 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.2403 0.1674 ( 232 PWs) bands (ev): 2.9735 2.9735 19.5051 19.5051 21.6956 21.6956 27.5985 27.5985 29.0871 29.0871 33.0135 33.0135 42.4406 42.4406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.2403 0.2511 ( 232 PWs) bands (ev): 4.0705 4.0705 18.9305 18.9305 21.6214 21.6214 25.3193 25.3193 28.3992 28.3992 32.7842 32.7842 42.2664 42.2664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.2403 0.3348 ( 232 PWs) bands (ev): 5.5887 5.5887 18.0422 18.0422 20.0302 20.0302 24.8353 24.8353 26.9765 26.9765 34.5363 34.5363 39.9126 39.9126 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.2403 0.4185 ( 234 PWs) bands (ev): 7.4961 7.4961 15.6698 15.6698 19.3102 19.3102 24.0993 24.0993 27.5536 27.5536 34.3789 34.3789 39.9808 39.9808 occupation numbers 1.0000 1.0000 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 = 0.3077-0.2403 0.5022 ( 239 PWs) bands (ev): 9.6354 9.6354 12.9836 12.9836 19.2658 19.2658 23.3458 23.3458 29.1831 29.1831 32.3870 32.3870 41.9993 41.9993 occupation numbers 1.0000 1.0000 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 = 0.3077-0.2403-0.5022 ( 239 PWs) bands (ev): 9.6354 9.6354 12.9836 12.9836 19.2658 19.2658 23.3458 23.3458 29.1831 29.1831 32.3870 32.3870 41.9992 41.9993 occupation numbers 1.0000 1.0000 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 = 0.3077-0.2403-0.4185 ( 234 PWs) bands (ev): 7.4961 7.4961 15.6698 15.6698 19.3102 19.3102 24.0993 24.0993 27.5536 27.5536 34.3789 34.3789 39.9808 39.9808 occupation numbers 1.0000 1.0000 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 = 0.3077-0.2403-0.3348 ( 232 PWs) bands (ev): 5.5887 5.5887 18.0422 18.0422 20.0302 20.0302 24.8353 24.8353 26.9765 26.9765 34.5363 34.5363 39.9126 39.9126 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.2403-0.2511 ( 232 PWs) bands (ev): 4.0705 4.0705 18.9305 18.9305 21.6214 21.6214 25.3193 25.3193 28.3992 28.3992 32.7842 32.7842 42.2664 42.2664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.2403-0.1674 ( 232 PWs) bands (ev): 2.9735 2.9735 19.5051 19.5051 21.6956 21.6956 27.5985 27.5985 29.0871 29.0871 33.0135 33.0135 42.4406 42.4406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.2403-0.0837 ( 230 PWs) bands (ev): 2.3111 2.3111 20.0650 20.0650 21.3166 21.3166 27.6405 27.6405 30.8664 30.8664 36.0350 36.0350 39.8507 39.8507 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610 0.0268 ( 229 PWs) bands (ev): 1.0949 1.0949 19.8647 19.8647 23.3642 23.3642 29.6596 29.6596 32.1960 32.1960 37.0885 37.0885 40.4952 40.4953 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610 0.1105 ( 229 PWs) bands (ev): 1.4567 1.4567 18.7447 18.7447 23.6298 23.6298 29.9245 29.9245 31.4091 31.4091 37.3398 37.3398 38.7367 38.7367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610 0.1942 ( 228 PWs) bands (ev): 2.2603 2.2603 17.8873 17.8873 23.2786 23.2786 27.5124 27.5124 32.1501 32.1501 35.6655 35.6655 41.0068 41.0068 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610 0.2779 ( 232 PWs) bands (ev): 3.4977 3.4977 17.3147 17.3147 20.9263 20.9263 27.1279 27.1279 30.8855 30.8855 36.7825 36.7825 42.1886 42.1886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610 0.3616 ( 229 PWs) bands (ev): 5.1527 5.1527 16.5572 16.5572 18.2285 18.2285 27.6233 27.6233 29.6671 29.6671 37.9434 37.9434 41.2169 41.2169 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610 0.4453 ( 232 PWs) bands (ev): 7.1803 7.1803 13.9530 13.9530 17.8613 17.8613 26.8106 26.8106 30.5584 30.5584 36.3477 36.3477 41.7317 41.7317 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610 0.5290 ( 237 PWs) bands (ev): 9.2021 9.2021 11.4848 11.4848 18.4071 18.4071 25.7611 25.7611 32.0286 32.0286 34.3686 34.3686 41.6733 41.6733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610-0.4754 ( 234 PWs) bands (ev): 8.0101 8.0101 12.8800 12.8800 19.3332 19.3332 25.0886 25.0886 31.1161 31.1161 34.9847 34.9847 40.1529 40.1529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610-0.3917 ( 233 PWs) bands (ev): 5.8761 5.8761 15.8541 15.8541 20.4827 20.4827 24.9355 24.9355 29.4083 29.4083 34.9200 34.9201 39.9627 39.9627 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610-0.3080 ( 232 PWs) bands (ev): 4.0705 4.0705 18.9305 18.9305 21.6214 21.6214 25.3193 25.3193 28.3992 28.3992 32.7842 32.7842 42.2664 42.2664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610-0.2243 ( 232 PWs) bands (ev): 2.6730 2.6730 21.3510 21.3510 22.4562 22.4562 25.9429 25.9429 29.1411 29.1411 30.8665 30.8665 44.8923 44.8923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610-0.1406 ( 230 PWs) bands (ev): 1.7055 1.7055 22.1658 22.1658 22.5481 22.5481 27.6350 27.6350 29.3766 29.3766 32.3387 32.3387 43.3365 43.3365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.1610-0.0569 ( 231 PWs) bands (ev): 1.1780 1.1780 21.1159 21.1159 23.0333 23.0333 28.7997 28.7997 30.6394 30.6394 36.0101 36.0101 40.1993 40.1993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0817 0.0536 ( 225 PWs) bands (ev): 0.5412 0.5412 18.0950 18.0950 26.2234 26.2234 31.5682 31.5682 33.0982 33.0982 36.0667 36.0667 40.5888 40.5889 occupation numbers 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 = 0.3077-0.0817 0.1373 ( 226 PWs) bands (ev): 1.0438 1.0438 16.9438 16.9438 25.6720 25.6720 29.7850 29.7850 34.9281 34.9281 36.5475 36.5475 40.2606 40.2606 occupation numbers 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 = 0.3077-0.0817 0.2210 ( 229 PWs) bands (ev): 1.9875 1.9875 16.1418 16.1418 23.0475 23.0475 29.2503 29.2503 35.2115 35.2115 37.8579 37.8579 39.5941 39.5941 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0817 0.3047 ( 230 PWs) bands (ev): 3.3623 3.3623 15.6824 15.6824 19.5336 19.5336 29.9289 29.9289 33.9852 33.9852 38.0642 38.0642 41.0872 41.0872 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0817 0.3884 ( 229 PWs) bands (ev): 5.1474 5.1474 15.0777 15.0777 16.6292 16.6292 30.5126 30.5126 33.1601 33.1601 38.0775 38.0775 40.5627 40.5627 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0817 0.4720 ( 234 PWs) bands (ev): 7.2718 7.2718 12.4894 12.4894 16.4637 16.4637 29.9270 29.9270 33.9528 33.9528 37.6271 37.6271 38.9204 38.9204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0817 0.5557 ( 238 PWs) bands (ev): 8.6864 8.6864 10.8158 10.8158 17.2381 17.2381 29.0048 29.0048 34.6262 34.6262 36.3087 36.3087 38.6783 38.6783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0817-0.4486 ( 234 PWs) bands (ev): 6.7221 6.7221 13.1939 13.1939 18.4620 18.4620 28.2765 28.2765 32.7224 32.7224 36.2329 36.2329 38.9755 38.9756 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0817-0.3649 ( 233 PWs) bands (ev): 4.6612 4.6612 16.3030 16.3030 20.0474 20.0474 27.8136 27.8136 30.6373 30.6373 34.5373 34.5373 40.6684 40.6684 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0817-0.2812 ( 232 PWs) bands (ev): 2.9735 2.9735 19.5051 19.5051 21.6956 21.6956 27.5985 27.5985 29.0871 29.0871 33.0135 33.0135 42.4406 42.4406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0817-0.1975 ( 230 PWs) bands (ev): 1.7055 1.7055 22.1658 22.1658 22.5481 22.5481 27.6350 27.6350 29.3766 29.3766 32.3387 32.3387 43.3365 43.3365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0817-0.1138 ( 227 PWs) bands (ev): 0.8732 0.8732 21.0961 21.0961 24.9101 24.9101 28.0408 28.0408 31.5803 31.5803 33.1834 33.1834 41.7628 41.7628 occupation numbers 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 = 0.3077-0.0817-0.0301 ( 226 PWs) bands (ev): 0.4842 0.4842 19.5366 19.5366 25.9948 25.9948 29.7294 29.7294 32.6715 32.6715 36.6144 36.6144 38.6440 38.6440 occupation numbers 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 = 0.3077-0.0024 0.0804 ( 229 PWs) bands (ev): 0.4328 0.4328 16.4378 16.4378 28.5610 28.5610 31.5042 31.5042 32.8722 32.8722 36.1852 36.1852 41.3172 41.3172 occupation numbers 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 = 0.3077-0.0024 0.1641 ( 230 PWs) bands (ev): 1.0753 1.0753 15.3624 15.3624 25.7730 25.7730 31.1604 31.1604 33.5960 33.5960 37.7613 37.7613 42.8462 42.8462 occupation numbers 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 = 0.3077-0.0024 0.2478 ( 231 PWs) bands (ev): 2.1565 2.1565 14.6674 14.6674 21.9871 21.9871 31.1616 31.1616 34.2961 34.2961 39.0477 39.0477 43.1071 43.1071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0024 0.3315 ( 227 PWs) bands (ev): 3.6640 3.6640 14.3370 14.3370 18.2712 18.2712 31.3290 31.3290 35.1674 35.1674 38.0610 38.0610 44.2522 44.2522 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0024 0.4151 ( 227 PWs) bands (ev): 5.5694 5.5694 13.8755 13.8755 15.3867 15.3867 31.5447 31.5447 35.9409 35.9409 37.1107 37.1107 42.0681 42.0682 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0024 0.4988 ( 235 PWs) bands (ev): 7.7429 7.7429 11.4221 11.4221 15.3914 15.3914 31.7467 31.7467 35.1012 35.1012 38.0624 38.0624 39.5021 39.5021 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0024 0.5825 ( 233 PWs) bands (ev): 8.0065 8.0065 11.1030 11.1030 16.3465 16.3465 31.7409 31.7409 33.8534 33.8534 37.4726 37.4726 38.8603 38.8603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0024-0.4218 ( 230 PWs) bands (ev): 5.8285 5.8285 13.8762 13.8762 17.7813 17.7813 31.1794 31.1794 32.0376 32.0376 36.9944 36.9944 38.4520 38.4520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0024-0.3381 ( 231 PWs) bands (ev): 3.8712 3.8712 16.9879 16.9879 19.6161 19.6161 29.1188 29.1188 31.2982 31.2982 36.5813 36.5813 38.7204 38.7204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0024-0.2544 ( 230 PWs) bands (ev): 2.3111 2.3111 20.0650 20.0650 21.3166 21.3166 27.6405 27.6405 30.8664 30.8664 36.0350 36.0350 39.8507 39.8507 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0024-0.1707 ( 231 PWs) bands (ev): 1.1780 1.1780 21.1159 21.1159 23.0333 23.0333 28.7997 28.7997 30.6394 30.6394 36.0101 36.0101 40.1993 40.1993 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3077-0.0024-0.0870 ( 226 PWs) bands (ev): 0.4842 0.4842 19.5366 19.5366 25.9948 25.9948 29.7294 29.7294 32.6715 32.6715 36.6144 36.6144 38.6440 38.6440 occupation numbers 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 = 0.3077-0.0024-0.0033 ( 229 PWs) bands (ev): 0.2352 0.2352 17.8615 17.8615 28.8108 28.8108 29.6674 29.6674 35.1745 35.1745 35.6655 35.6655 38.6557 38.6557 occupation numbers 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 = 0.3846 0.0961 0.1340 ( 230 PWs) bands (ev): 2.7337 2.7337 11.5480 11.5480 28.4317 28.4317 29.5313 29.5313 32.2847 32.2847 36.0802 36.0802 45.8299 45.8300 occupation numbers 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 = 0.3846 0.0961 0.2176 ( 230 PWs) bands (ev): 3.6240 3.6240 10.7120 10.7120 25.2393 25.2393 28.6376 28.6376 34.2212 34.2212 38.0322 38.0322 46.4082 46.4082 occupation numbers 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 = 0.3846 0.0961 0.3013 ( 230 PWs) bands (ev): 4.9241 4.9241 10.3114 10.3114 21.4148 21.4148 28.4276 28.4276 35.5292 35.5292 40.9763 40.9763 44.7865 44.7865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0961 0.3850 ( 231 PWs) bands (ev): 6.5905 6.5905 10.3654 10.3654 17.8354 17.8354 28.4909 28.4909 36.6327 36.6327 41.9749 41.9749 42.6618 42.6618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0961 0.4687 ( 230 PWs) bands (ev): 8.5047 8.5047 10.8609 10.8609 14.7245 14.7245 28.8433 28.8433 36.4680 36.4680 39.9676 39.9676 41.9070 41.9070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0961 0.5524 ( 237 PWs) bands (ev): 10.3011 10.3011 10.7806 10.7806 13.4802 13.4802 29.3864 29.3864 33.8231 33.8231 38.8964 38.8964 41.9846 41.9846 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0961 0.6361 ( 235 PWs) bands (ev): 8.5532 8.5532 12.1401 12.1401 15.4683 15.4683 29.0980 29.0980 31.6990 31.6990 37.5760 37.5760 42.3303 42.3303 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0961-0.3682 ( 233 PWs) bands (ev): 6.4951 6.4951 13.9641 13.9641 18.2122 18.2122 26.6944 26.6944 32.1379 32.1379 36.4563 36.4563 42.1835 42.1835 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0961-0.2845 ( 230 PWs) bands (ev): 4.7990 4.7990 16.0326 16.0326 20.0583 20.0583 25.4690 25.4690 32.6023 32.6023 36.1820 36.1820 41.8076 41.8076 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0961-0.2008 ( 230 PWs) bands (ev): 3.5161 3.5161 17.7083 17.7083 19.6816 19.6816 27.7279 27.7279 32.2661 32.2661 36.8051 36.8051 41.1018 41.1018 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0961-0.1171 ( 230 PWs) bands (ev): 2.6633 2.6633 16.3214 16.3214 21.7723 21.7723 30.8651 30.8651 31.9814 31.9814 36.8232 36.8232 41.5884 41.5885 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0961-0.0334 ( 228 PWs) bands (ev): 2.2479 2.2479 14.4233 14.4233 24.7488 24.7488 30.8691 30.8691 33.5574 33.5574 36.8252 36.8252 41.4560 41.4561 occupation numbers 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 = 0.3846 0.0961 0.0503 ( 230 PWs) bands (ev): 2.2722 2.2722 12.7975 12.7975 27.6268 27.6268 30.6537 30.6537 32.5631 32.5631 36.1478 36.1478 43.0779 43.0779 occupation numbers 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 = 0.3846 0.1754 0.1607 ( 230 PWs) bands (ev): 3.6240 3.6240 10.7120 10.7120 25.2393 25.2393 28.6376 28.6376 34.2212 34.2212 38.0322 38.0322 46.4082 46.4082 occupation numbers 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 = 0.3846 0.1754 0.2444 ( 229 PWs) bands (ev): 4.6264 4.6264 10.0265 10.0265 24.3862 24.3862 25.1005 25.1005 37.4822 37.4822 39.1766 39.1766 47.4271 47.4272 occupation numbers 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 = 0.3846 0.1754 0.3281 ( 233 PWs) bands (ev): 6.0050 6.0050 9.8071 9.8071 20.8628 20.8628 24.6177 24.6177 39.1743 39.1743 41.6648 41.6648 45.7378 45.7378 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.1754 0.4118 ( 232 PWs) bands (ev): 7.6511 7.6511 10.1263 10.1263 17.4022 17.4022 24.7366 24.7366 39.1429 39.1429 42.2198 42.2198 45.0342 45.0342 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.1754 0.4955 ( 231 PWs) bands (ev): 9.2729 9.2729 11.0603 11.0603 14.5110 14.5110 25.2147 25.2147 36.2894 36.2894 41.9355 41.9355 44.7207 44.7207 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.1754 0.5792 ( 237 PWs) bands (ev): 10.5927 10.5927 10.7722 10.7722 14.3002 14.3002 25.9829 25.9829 32.7054 32.7054 41.0739 41.0739 44.0344 44.0344 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.1754 0.6629 ( 234 PWs) bands (ev): 8.5246 8.5246 12.2619 12.2619 16.7597 16.7597 26.6107 26.6107 29.8053 29.8053 39.5294 39.5294 43.1212 43.1212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.1754-0.3414 ( 231 PWs) bands (ev): 6.5799 6.5799 14.1049 14.1049 19.3254 19.3254 25.5783 25.5783 29.6716 29.6716 37.8514 37.8514 41.5658 41.5658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.1754-0.2577 ( 233 PWs) bands (ev): 5.0167 5.0167 16.1803 16.1803 19.7964 19.7964 26.0793 26.0793 30.8651 30.8651 36.5054 36.5054 39.9376 39.9376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.1754-0.1740 ( 231 PWs) bands (ev): 3.8712 3.8712 16.9879 16.9879 19.6161 19.6161 29.1188 29.1188 31.2982 31.2982 36.5813 36.5813 38.7204 38.7204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.1754-0.0903 ( 228 PWs) bands (ev): 3.1567 3.1567 15.1857 15.1857 22.0791 22.0791 30.0031 30.0031 33.0987 33.0987 37.4457 37.4457 39.0057 39.0057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.1754-0.0066 ( 230 PWs) bands (ev): 2.8783 2.8783 13.3446 13.3446 24.6952 24.6952 29.2697 29.2697 35.3432 35.3432 36.8518 36.8518 41.8918 41.8918 occupation numbers 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 = 0.3846 0.1754 0.0771 ( 229 PWs) bands (ev): 3.0361 3.0361 11.8295 11.8295 25.6980 25.6980 30.2912 30.2912 33.2269 33.2269 37.3772 37.3772 43.8839 43.8839 occupation numbers 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 = 0.3846 0.2547 0.1875 ( 230 PWs) bands (ev): 4.9241 4.9241 10.3114 10.3114 21.4148 21.4148 28.4276 28.4276 35.5292 35.5292 40.9763 40.9763 44.7865 44.7865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.2547 0.2712 ( 233 PWs) bands (ev): 6.0050 6.0050 9.8071 9.8071 20.8628 20.8628 24.6177 24.6177 39.1743 39.1743 41.6648 41.6648 45.7377 45.7377 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.2547 0.3549 ( 232 PWs) bands (ev): 7.3617 7.3617 9.8598 9.8598 20.1299 20.1299 21.5201 21.5201 41.1310 41.1310 43.0530 43.0530 44.1518 44.1518 occupation numbers 1.0000 1.0000 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 = 0.3846 0.2547 0.4386 ( 237 PWs) bands (ev): 8.6930 8.6930 10.7158 10.7158 17.3037 17.3037 21.2665 21.2665 39.0714 39.0714 42.2212 42.2212 45.6530 45.6530 occupation numbers 1.0000 1.0000 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 = 0.3846 0.2547 0.5223 ( 233 PWs) bands (ev): 9.8184 9.8184 12.1448 12.1448 14.8064 14.8064 21.8655 21.8655 35.3069 35.3069 41.4815 41.4815 44.2690 44.2690 occupation numbers 1.0000 1.0000 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 = 0.3846 0.2547 0.6060 ( 235 PWs) bands (ev): 10.8160 10.8160 11.3264 11.3264 15.7524 15.7524 22.8730 22.8730 31.5337 31.5337 40.7050 40.7050 41.5273 41.5273 occupation numbers 1.0000 1.0000 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 = 0.3846 0.2547 0.6897 ( 234 PWs) bands (ev): 8.9080 8.9080 12.6984 12.6984 18.2895 18.2895 24.1656 24.1656 28.3545 28.3545 37.9801 37.9801 40.9101 40.9101 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9957 0.9957 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.2547-0.3146 ( 232 PWs) bands (ev): 7.0927 7.0927 14.5895 14.5895 20.0558 20.0558 25.3589 25.3589 27.1302 27.1302 35.2544 35.2544 40.8041 40.8042 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.2547-0.2309 ( 233 PWs) bands (ev): 5.6674 5.6674 16.5642 16.5642 19.3727 19.3727 27.3470 27.3470 28.1931 28.1931 33.5438 33.5438 40.7803 40.7803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.2547-0.1472 ( 233 PWs) bands (ev): 4.6612 4.6612 16.3030 16.3030 20.0474 20.0474 27.8136 27.8136 30.6373 30.6373 34.5373 34.5373 40.6684 40.6684 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.2547-0.0635 ( 231 PWs) bands (ev): 4.0843 4.0843 14.4060 14.4060 22.2690 22.2690 26.9691 26.9691 33.7347 33.7347 37.7430 37.7430 40.0820 40.0821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.2547 0.0201 ( 230 PWs) bands (ev): 3.9398 3.9398 12.6636 12.6636 22.9640 22.9640 28.0248 28.0248 36.2852 36.2852 37.9118 37.9118 41.5535 41.5535 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.2547 0.1038 ( 229 PWs) bands (ev): 4.2241 4.2241 11.2789 11.2789 22.2138 22.2138 30.5253 30.5253 33.8270 33.8270 39.5758 39.5758 42.9757 42.9757 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.3340 0.2143 ( 231 PWs) bands (ev): 6.5905 6.5905 10.3654 10.3654 17.8354 17.8354 28.4909 28.4909 36.6327 36.6327 41.9749 41.9749 42.6618 42.6618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.3340 0.2980 ( 232 PWs) bands (ev): 7.6511 7.6511 10.1263 10.1263 17.4022 17.4022 24.7366 24.7366 39.1429 39.1429 42.2198 42.2198 45.0342 45.0342 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.3340 0.3817 ( 237 PWs) bands (ev): 8.6930 8.6930 10.7158 10.7158 17.3037 17.3037 21.2665 21.2665 39.0714 39.0714 42.2212 42.2212 45.6530 45.6530 occupation numbers 1.0000 1.0000 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 = 0.3846 0.3340 0.4654 ( 233 PWs) bands (ev): 9.5263 9.5263 12.2383 12.2383 16.9341 16.9341 18.8920 18.8920 38.0695 38.0695 38.7901 38.7901 44.5593 44.5593 occupation numbers 1.0000 1.0000 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 = 0.3846 0.3340 0.5491 ( 233 PWs) bands (ev): 10.4828 10.4828 13.5501 13.5501 15.5096 15.5096 19.2064 19.2064 34.4123 34.4123 37.7829 37.7829 41.0269 41.0269 occupation numbers 1.0000 1.0000 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 = 0.3846 0.3340 0.6328 ( 233 PWs) bands (ev): 11.4455 11.4455 12.1318 12.1318 17.1671 17.1671 20.6093 20.6093 30.6491 30.6491 37.3902 37.3902 37.4796 37.4796 occupation numbers 1.0000 1.0000 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 = 0.3846 0.3340 0.7165 ( 231 PWs) bands (ev): 9.7023 9.7023 13.4870 13.4870 19.1417 19.1417 22.6919 22.6919 27.5603 27.5603 34.1520 34.1520 37.4657 37.4657 occupation numbers 1.0000 1.0000 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 = 0.3846 0.3340-0.2878 ( 231 PWs) bands (ev): 8.0271 8.0271 15.3938 15.3938 19.9702 19.9702 24.5889 24.5889 26.5703 26.5703 31.6711 31.6711 37.8818 37.8818 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.3340-0.2041 ( 234 PWs) bands (ev): 6.7431 6.7431 16.9539 16.9539 19.3241 19.3241 25.4119 25.4119 27.5516 27.5516 31.8804 31.8804 38.7083 38.7083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.3340-0.1204 ( 233 PWs) bands (ev): 5.8761 5.8761 15.8541 15.8541 20.4827 20.4827 24.9355 24.9355 29.4083 29.4083 34.9200 34.9200 39.9627 39.9627 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.3340-0.0368 ( 232 PWs) bands (ev): 5.4340 5.4340 14.0058 14.0058 20.7896 20.7896 25.8859 25.8859 32.2215 32.2215 38.2298 38.2298 41.5002 41.5003 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.3340 0.0469 ( 233 PWs) bands (ev): 5.4161 5.4161 12.3904 12.3904 19.7201 19.7201 28.7195 28.7195 35.1260 35.1260 38.4305 38.4305 40.7196 40.7196 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.3340 0.1306 ( 232 PWs) bands (ev): 5.8122 5.8122 11.1546 11.1546 18.6304 18.6304 31.1407 31.1407 34.4092 34.4092 39.3953 39.3953 41.9224 41.9224 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4133 0.2411 ( 230 PWs) bands (ev): 8.5047 8.5047 10.8609 10.8609 14.7245 14.7245 28.8433 28.8433 36.4680 36.4680 39.9676 39.9676 41.9070 41.9070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4133 0.3248 ( 231 PWs) bands (ev): 9.2729 9.2729 11.0603 11.0603 14.5110 14.5110 25.2147 25.2147 36.2894 36.2894 41.9355 41.9355 44.7207 44.7207 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4133 0.4085 ( 233 PWs) bands (ev): 9.8184 9.8184 12.1448 12.1448 14.8064 14.8064 21.8655 21.8655 35.3069 35.3069 41.4815 41.4815 44.2690 44.2690 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4133 0.4922 ( 233 PWs) bands (ev): 10.4828 10.4828 13.5501 13.5501 15.5096 15.5096 19.2064 19.2064 34.4123 34.4123 37.7829 37.7829 41.0269 41.0269 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4133 0.5759 ( 231 PWs) bands (ev): 11.4611 11.4611 14.8320 14.8320 14.9926 14.9926 19.0784 19.0784 33.6816 33.6816 33.9320 33.9320 37.2216 37.2216 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4133 0.6596 ( 231 PWs) bands (ev): 12.4643 12.4643 13.2220 13.2220 16.4198 16.4198 21.1874 21.1874 30.1247 30.1247 33.2381 33.2381 34.0351 34.0351 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4133 0.7433 ( 227 PWs) bands (ev): 10.8917 10.8917 14.5817 14.5817 18.0247 18.0247 23.2264 23.2264 27.3542 27.3542 30.5971 30.5971 34.0888 34.0888 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4133-0.2610 ( 230 PWs) bands (ev): 9.3668 9.3668 16.3557 16.3557 19.3460 19.3460 23.1612 23.1612 26.0581 26.0581 30.1407 30.1407 35.0706 35.0706 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4133-0.1773 ( 232 PWs) bands (ev): 8.2267 8.2267 17.0540 17.0540 19.7244 19.7244 23.0069 23.0069 25.5700 25.5700 32.2188 32.2188 37.0398 37.0398 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4133-0.0937 ( 234 PWs) bands (ev): 7.4961 7.4961 15.6698 15.6698 19.3102 19.3102 24.0993 24.0993 27.5536 27.5536 34.3789 34.3789 39.9808 39.9808 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4133-0.0100 ( 232 PWs) bands (ev): 7.1803 7.1803 13.9530 13.9530 17.8613 17.8613 26.8106 26.8106 30.5584 30.5584 36.3477 36.3477 41.7316 41.7317 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4133 0.0737 ( 234 PWs) bands (ev): 7.2718 7.2718 12.4894 12.4894 16.4637 16.4637 29.9270 29.9270 33.9528 33.9528 37.6271 37.6271 38.9204 38.9204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4133 0.1574 ( 235 PWs) bands (ev): 7.7429 7.7429 11.4221 11.4221 15.3914 15.3914 31.7467 31.7467 35.1012 35.1012 38.0624 38.0624 39.5021 39.5021 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4926 0.2679 ( 237 PWs) bands (ev): 10.3011 10.3011 10.7806 10.7806 13.4802 13.4802 29.3864 29.3864 33.8231 33.8231 38.8964 38.8964 41.9846 41.9846 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4926 0.3516 ( 237 PWs) bands (ev): 10.5927 10.5927 10.7722 10.7722 14.3002 14.3002 25.9829 25.9829 32.7054 32.7054 41.0739 41.0739 44.0344 44.0344 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4926 0.4353 ( 235 PWs) bands (ev): 10.8160 10.8160 11.3264 11.3264 15.7524 15.7524 22.8730 22.8730 31.5337 31.5337 40.7050 40.7050 41.5273 41.5273 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4926 0.5190 ( 233 PWs) bands (ev): 11.4455 11.4455 12.1318 12.1318 17.1671 17.1671 20.6093 20.6093 30.6491 30.6491 37.3902 37.3902 37.4796 37.4796 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4926 0.6027 ( 231 PWs) bands (ev): 12.4643 12.4643 13.2220 13.2220 16.4198 16.4198 21.1874 21.1874 30.1247 30.1247 33.2381 33.2381 34.0351 34.0351 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4926 0.6864 ( 235 PWs) bands (ev): 13.7990 13.7990 13.8569 13.8569 15.4102 15.4102 23.0921 23.0921 29.4340 29.4340 29.4486 29.4486 31.8877 31.8877 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4926 0.7701 ( 231 PWs) bands (ev): 12.4259 12.4259 15.3987 15.3987 16.9386 16.9386 23.7151 23.7151 26.2354 26.2354 28.4091 28.4091 32.6861 32.6861 occupation numbers 1.0000 1.0000 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 = 0.3846 0.4926-0.2343 ( 233 PWs) bands (ev): 11.0737 11.0737 16.6980 16.6980 18.9762 18.9762 22.1454 22.1454 24.1368 24.1368 29.0672 29.0672 35.2612 35.2612 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9995 0.9995 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4926-0.1506 ( 235 PWs) bands (ev): 10.0776 10.0776 16.6167 16.6167 19.1901 19.1901 22.1846 22.1846 24.2698 24.2698 30.3635 30.3635 38.7181 38.7181 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0984 0.0984 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4926-0.0669 ( 237 PWs) bands (ev): 9.4703 9.4703 15.2540 15.2540 17.2738 17.2738 24.7962 24.7962 26.5351 26.5351 31.9527 31.9527 41.8591 41.8591 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4926 0.0168 ( 233 PWs) bands (ev): 9.2493 9.2493 13.6937 13.6937 15.5519 15.5519 27.7237 27.7237 29.8336 29.8336 33.7367 33.7367 41.4136 41.4136 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4926 0.1005 ( 233 PWs) bands (ev): 9.3845 9.3845 12.3599 12.3599 14.2536 14.2536 30.6084 30.6084 33.6995 33.6995 35.0983 35.0983 38.4706 38.4706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.4926 0.1842 ( 233 PWs) bands (ev): 9.7928 9.7928 11.3748 11.3748 13.5030 13.5030 32.2075 32.2075 34.1121 34.1121 37.5305 37.5305 37.8977 37.8977 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.5719 0.2947 ( 235 PWs) bands (ev): 8.5532 8.5532 12.1401 12.1401 15.4683 15.4683 29.0980 29.0980 31.6990 31.6990 37.5760 37.5760 42.3303 42.3303 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.5719 0.3784 ( 234 PWs) bands (ev): 8.5246 8.5246 12.2619 12.2619 16.7597 16.7597 26.6107 26.6107 29.8053 29.8053 39.5294 39.5294 43.1212 43.1212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.5719 0.4621 ( 234 PWs) bands (ev): 8.9080 8.9080 12.6984 12.6984 18.2895 18.2895 24.1656 24.1656 28.3545 28.3545 37.9801 37.9801 40.9101 40.9101 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9957 0.9957 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.5719 0.5458 ( 231 PWs) bands (ev): 9.7023 9.7023 13.4870 13.4870 19.1417 19.1417 22.6919 22.6919 27.5603 27.5603 34.1520 34.1520 37.4657 37.4657 occupation numbers 1.0000 1.0000 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 = 0.3846 0.5719 0.6295 ( 227 PWs) bands (ev): 10.8917 10.8917 14.5817 14.5817 18.0247 18.0247 23.2264 23.2264 27.3542 27.3542 30.5971 30.5971 34.0888 34.0888 occupation numbers 1.0000 1.0000 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 = 0.3846 0.5719 0.7132 ( 231 PWs) bands (ev): 12.4259 12.4259 15.3987 15.3987 16.9386 16.9386 23.7151 23.7151 26.2354 26.2354 28.4091 28.4091 32.6861 32.6861 occupation numbers 1.0000 1.0000 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 = 0.3846 0.5719 0.7969 ( 232 PWs) bands (ev): 13.8769 13.8769 14.6738 14.6738 17.9646 17.9646 22.5120 22.5120 25.4134 25.4134 26.3269 26.3269 34.7300 34.7300 occupation numbers 1.0000 1.0000 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 = 0.3846 0.5719-0.2075 ( 237 PWs) bands (ev): 13.0265 13.0265 15.7107 15.7107 18.6188 18.6188 21.6224 21.6224 24.0521 24.0521 26.6600 26.6600 38.0739 38.0739 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 k = 0.3846 0.5719-0.1238 ( 239 PWs) bands (ev): 12.1288 12.1288 15.0129 15.0129 18.5861 18.5861 21.9288 21.9288 25.0426 25.0426 27.9640 27.9640 41.3311 41.3311 occupation numbers 1.0000 1.0000 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 = 0.3846 0.5719-0.0401 ( 239 PWs) bands (ev): 11.4466 11.4466 13.4811 13.4811 17.2784 17.2784 24.1667 24.1667 27.6102 27.6102 29.7789 29.7789 41.6296 41.6296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9953 0.9953 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.5719 0.0436 ( 238 PWs) bands (ev): 10.6971 10.6971 12.4705 12.4705 15.8720 15.8720 27.1069 27.1069 30.5210 30.5210 32.0012 32.0012 39.4445 39.4445 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.5719 0.1273 ( 238 PWs) bands (ev): 9.7544 9.7544 12.2185 12.2185 14.9274 14.9274 30.0369 30.0369 32.3511 32.3511 34.7645 34.7645 37.7692 37.7692 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.5719 0.2110 ( 236 PWs) bands (ev): 8.9799 8.9799 12.1884 12.1884 14.7637 14.7637 31.2474 31.2474 32.3290 32.3290 36.6037 36.6037 38.5886 38.5886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3796-0.0268 ( 233 PWs) bands (ev): 6.4951 6.4951 13.9641 13.9641 18.2122 18.2122 26.6944 26.6944 32.1379 32.1379 36.4563 36.4563 42.1835 42.1835 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3796 0.0569 ( 231 PWs) bands (ev): 6.5799 6.5799 14.1049 14.1049 19.3254 19.3254 25.5783 25.5783 29.6716 29.6716 37.8514 37.8514 41.5658 41.5658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3796 0.1406 ( 232 PWs) bands (ev): 7.0927 7.0927 14.5895 14.5895 20.0558 20.0558 25.3589 25.3589 27.1302 27.1302 35.2544 35.2544 40.8041 40.8041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3796 0.2243 ( 231 PWs) bands (ev): 8.0271 8.0271 15.3938 15.3938 19.9702 19.9702 24.5889 24.5889 26.5703 26.5703 31.6711 31.6711 37.8818 37.8818 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3796 0.3080 ( 230 PWs) bands (ev): 9.3668 9.3668 16.3557 16.3557 19.3460 19.3460 23.1612 23.1612 26.0581 26.0581 30.1407 30.1407 35.0706 35.0706 occupation numbers 1.0000 1.0000 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 = 0.3846-0.3796 0.3917 ( 233 PWs) bands (ev): 11.0737 11.0737 16.6980 16.6980 18.9762 18.9762 22.1454 22.1454 24.1368 24.1368 29.0672 29.0672 35.2612 35.2612 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9995 0.9995 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3796 0.4754 ( 237 PWs) bands (ev): 13.0265 13.0265 15.7107 15.7107 18.6188 18.6188 21.6224 21.6224 24.0521 24.0521 26.6600 26.6600 38.0739 38.0739 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 k = 0.3846-0.3796-0.5290 ( 236 PWs) bands (ev): 13.9458 13.9458 14.8855 14.8855 17.7922 17.7922 22.2398 22.2398 24.5172 24.5172 25.7213 25.7213 41.1195 41.1195 occupation numbers 1.0000 1.0000 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 = 0.3846-0.3796-0.4453 ( 239 PWs) bands (ev): 12.1288 12.1288 15.0129 15.0129 18.5861 18.5861 21.9288 21.9288 25.0426 25.0426 27.9640 27.9640 41.3311 41.3311 occupation numbers 1.0000 1.0000 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 = 0.3846-0.3796-0.3616 ( 235 PWs) bands (ev): 10.3103 10.3103 14.7193 14.7193 18.2747 18.2747 23.4227 23.4227 26.7834 26.7834 30.7130 30.7130 38.9578 38.9578 occupation numbers 1.0000 1.0000 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 = 0.3846-0.3796-0.2779 ( 235 PWs) bands (ev): 8.7720 8.7720 14.5657 14.5657 17.2907 17.2907 26.2197 26.2197 28.9023 28.9023 32.9650 32.9650 37.5289 37.5289 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3796-0.1942 ( 234 PWs) bands (ev): 7.6025 7.6025 14.3993 14.3993 16.8712 16.8712 29.0206 29.0206 29.7849 29.7849 34.4898 34.4898 38.5783 38.5784 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3796-0.1105 ( 230 PWs) bands (ev): 6.8381 6.8381 14.1195 14.1195 17.2694 17.2694 28.2811 28.2811 31.7624 31.7624 36.4161 36.4161 39.0407 39.0407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3003 0.0000 ( 230 PWs) bands (ev): 4.7990 4.7990 16.0326 16.0326 20.0583 20.0583 25.4690 25.4690 32.6023 32.6023 36.1820 36.1820 41.8076 41.8076 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3003 0.0837 ( 233 PWs) bands (ev): 5.0167 5.0167 16.1803 16.1803 19.7964 19.7964 26.0793 26.0793 30.8651 30.8651 36.5054 36.5054 39.9376 39.9376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3003 0.1674 ( 233 PWs) bands (ev): 5.6674 5.6674 16.5642 16.5642 19.3727 19.3727 27.3470 27.3470 28.1931 28.1931 33.5438 33.5438 40.7803 40.7803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3003 0.2511 ( 234 PWs) bands (ev): 6.7431 6.7431 16.9539 16.9539 19.3241 19.3241 25.4119 25.4119 27.5516 27.5516 31.8804 31.8804 38.7083 38.7083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3003 0.3348 ( 232 PWs) bands (ev): 8.2267 8.2267 17.0540 17.0540 19.7244 19.7244 23.0069 23.0069 25.5700 25.5700 32.2188 32.2188 37.0398 37.0398 occupation numbers 1.0000 1.0000 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 = 0.3846-0.3003 0.4185 ( 235 PWs) bands (ev): 10.0776 10.0776 16.6167 16.6167 19.1901 19.1901 22.1846 22.1846 24.2698 24.2698 30.3635 30.3635 38.7181 38.7181 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0984 0.0984 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3003 0.5022 ( 239 PWs) bands (ev): 12.1288 12.1288 15.0129 15.0129 18.5861 18.5861 21.9288 21.9288 25.0426 25.0426 27.9640 27.9640 41.3311 41.3311 occupation numbers 1.0000 1.0000 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 = 0.3846-0.3003-0.5022 ( 239 PWs) bands (ev): 12.1288 12.1288 15.0129 15.0129 18.5861 18.5861 21.9288 21.9288 25.0426 25.0426 27.9640 27.9640 41.3311 41.3311 occupation numbers 1.0000 1.0000 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 = 0.3846-0.3003-0.4185 ( 235 PWs) bands (ev): 10.0776 10.0776 16.6167 16.6167 19.1901 19.1901 22.1846 22.1846 24.2698 24.2698 30.3635 30.3635 38.7181 38.7181 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0984 0.0984 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3003-0.3348 ( 232 PWs) bands (ev): 8.2267 8.2267 17.0540 17.0540 19.7244 19.7244 23.0069 23.0069 25.5700 25.5700 32.2188 32.2188 37.0398 37.0398 occupation numbers 1.0000 1.0000 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 = 0.3846-0.3003-0.2511 ( 234 PWs) bands (ev): 6.7431 6.7431 16.9539 16.9539 19.3241 19.3241 25.4119 25.4119 27.5516 27.5516 31.8804 31.8804 38.7083 38.7083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3003-0.1674 ( 233 PWs) bands (ev): 5.6674 5.6674 16.5642 16.5642 19.3727 19.3727 27.3470 27.3470 28.1931 28.1931 33.5438 33.5438 40.7803 40.7803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.3003-0.0837 ( 233 PWs) bands (ev): 5.0167 5.0167 16.1803 16.1803 19.7964 19.7964 26.0793 26.0793 30.8651 30.8651 36.5054 36.5054 39.9376 39.9376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.2210 0.0268 ( 230 PWs) bands (ev): 3.5161 3.5161 17.7083 17.7083 19.6816 19.6816 27.7279 27.7279 32.2661 32.2661 36.8051 36.8051 41.1018 41.1018 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.2210 0.1105 ( 231 PWs) bands (ev): 3.8712 3.8712 16.9879 16.9879 19.6161 19.6161 29.1188 29.1188 31.2982 31.2982 36.5813 36.5813 38.7204 38.7204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.2210 0.1942 ( 233 PWs) bands (ev): 4.6612 4.6612 16.3030 16.3030 20.0474 20.0474 27.8136 27.8136 30.6373 30.6373 34.5373 34.5373 40.6684 40.6684 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.2210 0.2779 ( 233 PWs) bands (ev): 5.8761 5.8761 15.8541 15.8541 20.4827 20.4827 24.9355 24.9355 29.4083 29.4083 34.9200 34.9200 39.9627 39.9627 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.2210 0.3616 ( 234 PWs) bands (ev): 7.4961 7.4961 15.6698 15.6698 19.3102 19.3102 24.0993 24.0993 27.5536 27.5536 34.3789 34.3789 39.9808 39.9808 occupation numbers 1.0000 1.0000 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 = 0.3846-0.2210 0.4453 ( 237 PWs) bands (ev): 9.4703 9.4703 15.2540 15.2540 17.2738 17.2738 24.7962 24.7962 26.5351 26.5351 31.9527 31.9527 41.8591 41.8591 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.2210 0.5290 ( 239 PWs) bands (ev): 11.4466 11.4466 13.4811 13.4811 17.2784 17.2784 24.1667 24.1667 27.6102 27.6102 29.7789 29.7789 41.6296 41.6296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9953 0.9953 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.2210-0.4754 ( 235 PWs) bands (ev): 10.3103 10.3103 14.7193 14.7193 18.2747 18.2747 23.4227 23.4227 26.7834 26.7834 30.7130 30.7130 38.9578 38.9578 occupation numbers 1.0000 1.0000 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 = 0.3846-0.2210-0.3917 ( 232 PWs) bands (ev): 8.2267 8.2267 17.0540 17.0540 19.7244 19.7244 23.0069 23.0069 25.5700 25.5700 32.2188 32.2188 37.0398 37.0398 occupation numbers 1.0000 1.0000 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 = 0.3846-0.2210-0.3080 ( 231 PWs) bands (ev): 6.4533 6.4533 18.6980 18.6980 20.8770 20.8770 23.2790 23.2790 25.9504 25.9504 31.0980 31.0980 38.5694 38.5694 occupation numbers 1.0000 1.0000 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 = 0.3846-0.2210-0.2243 ( 235 PWs) bands (ev): 5.0764 5.0764 19.1439 19.1439 20.9703 20.9703 24.8796 24.8796 27.4038 27.4038 30.2853 30.2853 41.5364 41.5364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.2210-0.1406 ( 233 PWs) bands (ev): 4.1214 4.1214 18.7581 18.7581 20.8605 20.8605 26.3307 26.3307 27.8222 27.8222 33.1851 33.1851 43.0377 43.0377 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.2210-0.0569 ( 230 PWs) bands (ev): 3.5996 3.5996 18.2578 18.2578 20.2934 20.2934 26.6897 26.6897 30.1476 30.1476 36.7556 36.7556 41.1062 41.1062 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417 0.0536 ( 230 PWs) bands (ev): 2.6633 2.6633 16.3214 16.3214 21.7723 21.7723 30.8651 30.8651 31.9814 31.9814 36.8232 36.8232 41.5883 41.5884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417 0.1373 ( 228 PWs) bands (ev): 3.1567 3.1567 15.1857 15.1857 22.0791 22.0791 30.0031 30.0031 33.0987 33.0987 37.4457 37.4457 39.0057 39.0057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417 0.2210 ( 231 PWs) bands (ev): 4.0843 4.0843 14.4060 14.4060 22.2690 22.2690 26.9691 26.9691 33.7347 33.7347 37.7430 37.7430 40.0820 40.0820 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417 0.3047 ( 232 PWs) bands (ev): 5.4340 5.4340 14.0058 14.0058 20.7896 20.7896 25.8859 25.8859 32.2215 32.2215 38.2298 38.2298 41.5002 41.5002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417 0.3884 ( 232 PWs) bands (ev): 7.1803 7.1803 13.9530 13.9530 17.8613 17.8613 26.8106 26.8106 30.5584 30.5584 36.3477 36.3477 41.7316 41.7316 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417 0.4720 ( 233 PWs) bands (ev): 9.2493 9.2493 13.6937 13.6937 15.5519 15.5519 27.7237 27.7237 29.8336 29.8336 33.7367 33.7367 41.4136 41.4136 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417 0.5557 ( 238 PWs) bands (ev): 10.6971 10.6971 12.4705 12.4705 15.8720 15.8720 27.1069 27.1069 30.5210 30.5210 32.0012 32.0012 39.4445 39.4445 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417-0.4486 ( 235 PWs) bands (ev): 8.7720 8.7720 14.5657 14.5657 17.2907 17.2907 26.2197 26.2197 28.9023 28.9023 32.9650 32.9650 37.5289 37.5289 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417-0.3649 ( 234 PWs) bands (ev): 6.7431 6.7431 16.9539 16.9539 19.3241 19.3241 25.4119 25.4119 27.5516 27.5516 31.8804 31.8804 38.7083 38.7083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417-0.2812 ( 235 PWs) bands (ev): 5.0764 5.0764 19.1439 19.1439 20.9703 20.9703 24.8796 24.8796 27.4038 27.4038 30.2853 30.2853 41.5364 41.5364 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417-0.1975 ( 234 PWs) bands (ev): 3.8218 3.8218 20.6559 20.6559 21.0193 21.0193 24.7598 24.7598 29.6159 29.6159 29.7656 29.7656 44.4977 44.4977 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417-0.1138 ( 231 PWs) bands (ev): 2.9968 2.9968 19.3163 19.3163 21.7046 21.7046 25.9329 25.9329 30.1537 30.1537 33.4599 33.4599 43.8675 43.8676 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.1417-0.0301 ( 229 PWs) bands (ev): 2.6096 2.6096 17.7483 17.7483 21.6886 21.6886 28.2933 28.2933 31.2067 31.2067 37.2074 37.2074 40.9845 40.9845 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.0624 0.0804 ( 228 PWs) bands (ev): 2.2479 2.2479 14.4233 14.4233 24.7488 24.7488 30.8691 30.8691 33.5574 33.5574 36.8252 36.8252 41.4560 41.4560 occupation numbers 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 = 0.3846-0.0624 0.1641 ( 230 PWs) bands (ev): 2.8783 2.8783 13.3446 13.3446 24.6952 24.6952 29.2697 29.2697 35.3432 35.3432 36.8518 36.8518 41.8918 41.8918 occupation numbers 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 = 0.3846-0.0624 0.2478 ( 230 PWs) bands (ev): 3.9398 3.9398 12.6636 12.6636 22.9640 22.9640 28.0248 28.0248 36.2852 36.2852 37.9118 37.9118 41.5535 41.5535 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.0624 0.3315 ( 233 PWs) bands (ev): 5.4161 5.4161 12.3904 12.3904 19.7201 19.7201 28.7195 28.7195 35.1260 35.1260 38.4305 38.4305 40.7196 40.7197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.0624 0.4151 ( 234 PWs) bands (ev): 7.2718 7.2718 12.4894 12.4894 16.4637 16.4637 29.9270 29.9270 33.9528 33.9528 37.6271 37.6271 38.9204 38.9204 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.0624 0.4988 ( 233 PWs) bands (ev): 9.3845 9.3845 12.3599 12.3599 14.2536 14.2536 30.6084 30.6084 33.6995 33.6995 35.0983 35.0983 38.4706 38.4706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.0624 0.5825 ( 238 PWs) bands (ev): 9.7544 9.7544 12.2185 12.2185 14.9274 14.9274 30.0369 30.0369 32.3511 32.3511 34.7645 34.7645 37.7692 37.7692 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.0624-0.4218 ( 234 PWs) bands (ev): 7.6025 7.6025 14.3993 14.3993 16.8712 16.8712 29.0206 29.0206 29.7849 29.7849 34.4898 34.4898 38.5783 38.5783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.0624-0.3381 ( 233 PWs) bands (ev): 5.6674 5.6674 16.5642 16.5642 19.3727 19.3727 27.3470 27.3470 28.1931 28.1931 33.5438 33.5438 40.7803 40.7803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.0624-0.2544 ( 233 PWs) bands (ev): 4.1214 4.1214 18.7581 18.7581 20.8605 20.8605 26.3307 26.3307 27.8222 27.8222 33.1851 33.1851 43.0377 43.0377 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.0624-0.1707 ( 231 PWs) bands (ev): 2.9968 2.9968 19.3163 19.3163 21.7046 21.7046 25.9329 25.9329 30.1537 30.1537 33.4599 33.4599 43.8675 43.8676 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.0624-0.0870 ( 227 PWs) bands (ev): 2.3065 2.3065 17.5979 17.5979 23.8859 23.8859 26.0281 26.0281 33.3973 33.3973 34.7805 34.7805 41.7667 41.7667 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846-0.0624-0.0033 ( 231 PWs) bands (ev): 2.0563 2.0563 15.8676 15.8676 24.5813 24.5813 28.2103 28.2103 34.4286 34.4286 37.8527 37.8527 39.2435 39.2435 occupation numbers 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 = 0.3846 0.0168 0.1072 ( 230 PWs) bands (ev): 2.2722 2.2722 12.7975 12.7975 27.6268 27.6268 30.6537 30.6537 32.5631 32.5631 36.1478 36.1478 43.0779 43.0779 occupation numbers 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 = 0.3846 0.0168 0.1909 ( 229 PWs) bands (ev): 3.0361 3.0361 11.8295 11.8295 25.6980 25.6980 30.2912 30.2912 33.2269 33.2269 37.3772 37.3772 43.8839 43.8840 occupation numbers 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 = 0.3846 0.0168 0.2745 ( 229 PWs) bands (ev): 4.2241 4.2241 11.2789 11.2789 22.2138 22.2138 30.5253 30.5253 33.8270 33.8270 39.5758 39.5759 42.9757 42.9758 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0168 0.3582 ( 232 PWs) bands (ev): 5.8122 5.8122 11.1546 11.1546 18.6304 18.6304 31.1407 31.1407 34.4092 34.4092 39.3953 39.3953 41.9224 41.9224 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0168 0.4419 ( 235 PWs) bands (ev): 7.7429 7.7429 11.4221 11.4221 15.3914 15.3914 31.7467 31.7467 35.1012 35.1012 38.0624 38.0624 39.5021 39.5021 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0168 0.5256 ( 233 PWs) bands (ev): 9.7928 9.7928 11.3748 11.3748 13.5030 13.5030 32.2075 32.2075 34.1121 34.1121 37.5305 37.5305 37.8977 37.8977 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0168 0.6093 ( 236 PWs) bands (ev): 8.9799 8.9799 12.1884 12.1884 14.7637 14.7637 31.2474 31.2474 32.3290 32.3290 36.6037 36.6037 38.5886 38.5886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0168-0.3950 ( 230 PWs) bands (ev): 6.8381 6.8381 14.1195 14.1195 17.2694 17.2694 28.2811 28.2811 31.7624 31.7624 36.4161 36.4161 39.0407 39.0407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0168-0.3113 ( 233 PWs) bands (ev): 5.0167 5.0167 16.1803 16.1803 19.7964 19.7964 26.0793 26.0793 30.8651 30.8651 36.5054 36.5054 39.9376 39.9376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0168-0.2276 ( 230 PWs) bands (ev): 3.5996 3.5996 18.2578 18.2578 20.2934 20.2934 26.6897 26.6897 30.1476 30.1476 36.7556 36.7556 41.1062 41.1062 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0168-0.1439 ( 229 PWs) bands (ev): 2.6096 2.6096 17.7483 17.7483 21.6887 21.6887 28.2933 28.2933 31.2067 31.2067 37.2074 37.2074 40.9845 40.9845 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3846 0.0168-0.0602 ( 231 PWs) bands (ev): 2.0563 2.0563 15.8676 15.8676 24.5813 24.5813 28.2103 28.2103 34.4286 34.4286 37.8527 37.8527 39.2435 39.2435 occupation numbers 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 = 0.3846 0.0168 0.0235 ( 229 PWs) bands (ev): 1.9440 1.9440 14.1605 14.1605 27.5554 27.5554 28.2337 28.2337 35.6637 35.6637 35.9748 35.9748 40.7059 40.7059 occupation numbers 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 = 0.4615 0.1154 0.1607 ( 222 PWs) bands (ev): 4.9422 4.9422 8.5402 8.5402 28.3720 28.3720 29.8690 29.8690 31.3556 31.3556 35.4761 35.4761 47.1076 47.1077 occupation numbers 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 = 0.4615 0.1154 0.2444 ( 223 PWs) bands (ev): 5.6799 5.6799 8.1047 8.1047 25.8001 25.8001 29.1179 29.1179 33.2664 33.2664 37.0645 37.0645 46.5755 46.5755 occupation numbers 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 = 0.4615 0.1154 0.3281 ( 228 PWs) bands (ev): 6.3265 6.3265 8.6068 8.6068 22.1933 22.1933 29.0757 29.0757 34.5580 34.5580 39.7864 39.7864 44.1964 44.1964 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1154 0.4118 ( 232 PWs) bands (ev): 6.8236 6.8236 10.0711 10.0711 18.7837 18.7837 29.2644 29.2644 35.3321 35.3321 39.4035 39.4035 43.1218 43.1218 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1154 0.4955 ( 233 PWs) bands (ev): 7.5177 7.5177 11.9726 11.9726 15.8692 15.8692 29.6159 29.6159 33.8308 33.8308 38.3454 38.3454 42.1546 42.1546 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1154 0.5792 ( 235 PWs) bands (ev): 8.5532 8.5532 12.1401 12.1401 15.4683 15.4683 29.0980 29.0980 31.6990 31.6990 37.5760 37.5760 42.3303 42.3303 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1154 0.6629 ( 234 PWs) bands (ev): 9.6489 9.6489 10.3964 10.3964 17.8595 17.8595 26.3636 26.3636 32.0598 32.0598 36.3137 36.3137 42.9982 42.9982 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1154-0.3414 ( 234 PWs) bands (ev): 8.0377 8.0377 11.8896 11.8896 19.5177 19.5177 24.7177 24.7177 32.5424 32.5424 35.7127 35.7127 42.9635 42.9635 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1154-0.2577 ( 233 PWs) bands (ev): 6.4951 6.4951 13.9641 13.9641 18.2122 18.2122 26.6944 26.6944 32.1379 32.1379 36.4563 36.4563 42.1835 42.1835 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1154-0.1740 ( 231 PWs) bands (ev): 5.3532 5.3532 14.8212 14.8212 17.5546 17.5546 29.6906 29.6906 31.8517 31.8517 37.3129 37.3129 41.6087 41.6087 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1154-0.0903 ( 232 PWs) bands (ev): 4.6323 4.6323 12.9542 12.9542 20.1244 20.1244 30.2341 30.2341 33.7021 33.7021 37.5193 37.5193 42.6440 42.6440 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1154-0.0066 ( 229 PWs) bands (ev): 4.3348 4.3348 11.0837 11.0837 23.3293 23.3293 29.9485 29.9485 33.9124 33.9124 38.3482 38.3482 42.7520 42.7520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1154 0.0771 ( 228 PWs) bands (ev): 4.4506 4.4506 9.5812 9.5812 26.6362 26.6362 29.8233 29.8233 32.6837 32.6837 36.4211 36.4211 45.1512 45.1512 occupation numbers 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 = 0.4615 0.1946 0.1875 ( 223 PWs) bands (ev): 5.6799 5.6799 8.1047 8.1047 25.8001 25.8001 29.1179 29.1179 33.2664 33.2664 37.0645 37.0645 46.5755 46.5755 occupation numbers 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 = 0.4615 0.1946 0.2712 ( 226 PWs) bands (ev): 6.0278 6.0278 8.3215 8.3215 25.1480 25.1480 25.8351 25.8351 36.6090 36.6090 37.9392 37.9393 45.8211 45.8211 occupation numbers 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 = 0.4615 0.1946 0.3549 ( 231 PWs) bands (ev): 6.2276 6.2276 9.5251 9.5251 21.7823 21.7823 25.5081 25.5081 37.9380 37.9380 40.1969 40.1969 43.5381 43.5381 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1946 0.4386 ( 230 PWs) bands (ev): 6.6289 6.6289 11.3134 11.3134 18.4912 18.4912 25.7329 25.7329 36.4500 36.4500 40.4757 40.4757 43.9090 43.9090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1946 0.5223 ( 233 PWs) bands (ev): 7.3851 7.3851 13.1635 13.1635 15.9094 15.9094 26.2441 26.2441 32.9304 32.9304 40.3012 40.3012 44.1643 44.1643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1946 0.6060 ( 234 PWs) bands (ev): 8.5246 8.5246 12.2619 12.2619 16.7597 16.7597 26.6107 26.6107 29.8053 29.8053 39.5294 39.5294 43.1212 43.1212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1946 0.6897 ( 234 PWs) bands (ev): 9.7235 9.7235 10.5126 10.5126 19.0324 19.0324 25.2266 25.2266 29.4876 29.4876 38.3027 38.3027 42.0346 42.0346 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1946-0.3146 ( 232 PWs) bands (ev): 8.2488 8.2488 12.0865 12.0865 19.1986 19.1986 25.3718 25.3718 30.7136 30.7136 37.0542 37.0542 40.5853 40.5853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1946-0.2309 ( 230 PWs) bands (ev): 6.8381 6.8381 14.1195 14.1195 17.2694 17.2694 28.2811 28.2811 31.7624 31.7624 36.4161 36.4161 39.0407 39.0407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1946-0.1472 ( 230 PWs) bands (ev): 5.8285 5.8285 13.8762 13.8762 17.7813 17.7813 31.1794 31.1794 32.0376 32.0376 36.9944 36.9944 38.4520 38.4520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1946-0.0635 ( 232 PWs) bands (ev): 5.2348 5.2348 11.9036 11.9036 20.5960 20.5960 30.2957 30.2957 34.3188 34.3188 37.6256 37.6256 40.3102 40.3103 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1946 0.0201 ( 226 PWs) bands (ev): 5.0510 5.0510 10.1503 10.1503 23.6583 23.6583 29.3240 29.3240 34.6202 34.6202 38.1143 38.1143 42.8485 42.8486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.1946 0.1038 ( 228 PWs) bands (ev): 5.2418 5.2418 8.8292 8.8292 25.7320 25.7320 29.6938 29.6938 33.1319 33.1319 36.9817 36.9817 45.0908 45.0909 occupation numbers 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 = 0.4615 0.2739 0.2143 ( 228 PWs) bands (ev): 6.3265 6.3265 8.6068 8.6068 22.1933 22.1933 29.0757 29.0757 34.5580 34.5580 39.7864 39.7864 44.1964 44.1964 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.2739 0.2980 ( 231 PWs) bands (ev): 6.2276 6.2276 9.5251 9.5251 21.7823 21.7823 25.5081 25.5081 37.9380 37.9380 40.1969 40.1969 43.5381 43.5382 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.2739 0.3817 ( 233 PWs) bands (ev): 6.3312 6.3312 11.0630 11.0630 21.1412 21.1412 22.6244 22.6244 38.5514 38.5514 40.7187 40.7187 42.5188 42.5189 occupation numbers 1.0000 1.0000 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 = 0.4615 0.2739 0.4654 ( 233 PWs) bands (ev): 6.7939 6.7939 12.9789 12.9789 18.5113 18.5113 22.4759 22.4759 35.7188 35.7188 39.0160 39.0160 44.9691 44.9691 occupation numbers 1.0000 1.0000 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 = 0.4615 0.2739 0.5491 ( 234 PWs) bands (ev): 7.6545 7.6545 14.3936 14.3936 16.6108 16.6108 23.1608 23.1608 31.8075 31.8075 38.3384 38.3384 43.8647 43.8648 occupation numbers 1.0000 1.0000 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 = 0.4615 0.2739 0.6328 ( 234 PWs) bands (ev): 8.9080 8.9080 12.6984 12.6984 18.2895 18.2895 24.1656 24.1656 28.3545 28.3545 37.9801 37.9801 40.9101 40.9101 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9957 0.9957 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.2739 0.7165 ( 237 PWs) bands (ev): 10.2082 10.2082 11.0324 11.0324 19.7872 19.7872 25.0347 25.0347 26.8975 26.8975 37.8252 37.8252 38.0802 38.0802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.2739-0.2878 ( 235 PWs) bands (ev): 8.8785 8.8785 12.6659 12.6659 18.6080 18.6080 26.8436 26.8436 28.0572 28.0572 35.4894 35.4894 38.1672 38.1672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.2739-0.2041 ( 234 PWs) bands (ev): 7.6025 7.6025 14.3993 14.3993 16.8712 16.8712 29.0206 29.0206 29.7849 29.7849 34.4898 34.4898 38.5783 38.5783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.2739-0.1204 ( 234 PWs) bands (ev): 6.7221 6.7221 13.1939 13.1939 18.4620 18.4620 28.2765 28.2765 32.7224 32.7224 36.2329 36.2329 38.9755 38.9756 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.2739-0.0368 ( 233 PWs) bands (ev): 6.2436 6.2436 11.2704 11.2704 21.1951 21.1951 27.0658 27.0658 35.5083 35.5083 38.9828 38.9828 39.1488 39.1488 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.2739 0.0469 ( 229 PWs) bands (ev): 6.1365 6.1365 9.6902 9.6902 22.9997 22.9997 27.2798 27.2798 37.2383 37.2383 37.9055 37.9055 41.4860 41.4860 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.2739 0.1306 ( 226 PWs) bands (ev): 6.2764 6.2764 8.6818 8.6818 22.7897 22.7897 29.8140 29.8140 34.0139 34.0139 39.1467 39.1467 43.1082 43.1082 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.3532 0.2411 ( 232 PWs) bands (ev): 6.8236 6.8236 10.0711 10.0711 18.7837 18.7837 29.2644 29.2644 35.3321 35.3321 39.4035 39.4035 43.1217 43.1218 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.3532 0.3248 ( 230 PWs) bands (ev): 6.6289 6.6289 11.3134 11.3134 18.4912 18.4912 25.7329 25.7329 36.4500 36.4500 40.4757 40.4757 43.9090 43.9090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.3532 0.4085 ( 233 PWs) bands (ev): 6.7939 6.7939 12.9789 12.9789 18.5112 18.5112 22.4759 22.4759 35.7188 35.7188 39.0160 39.0160 44.9691 44.9691 occupation numbers 1.0000 1.0000 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 = 0.4615 0.3532 0.4922 ( 233 PWs) bands (ev): 7.3609 7.3609 14.8860 14.8860 18.1791 18.1791 20.4251 20.4251 34.7434 34.7434 35.1269 35.1269 44.3066 44.3066 occupation numbers 1.0000 1.0000 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 = 0.4615 0.3532 0.5759 ( 232 PWs) bands (ev): 8.3367 8.3367 15.4878 15.4878 17.5712 17.5712 20.9847 20.9847 30.9468 30.9468 34.3567 34.3567 40.8805 40.8805 occupation numbers 1.0000 1.0000 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 = 0.4615 0.3532 0.6596 ( 231 PWs) bands (ev): 9.7023 9.7023 13.4870 13.4870 19.1417 19.1417 22.6919 22.6919 27.5603 27.5603 34.1520 34.1520 37.4657 37.4657 occupation numbers 1.0000 1.0000 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 = 0.4615 0.3532 0.7433 ( 229 PWs) bands (ev): 11.0920 11.0920 11.9464 11.9464 19.6697 19.6697 24.4441 24.4441 26.3100 26.3100 33.8084 33.8084 35.0573 35.0573 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.3532-0.2610 ( 231 PWs) bands (ev): 9.9135 9.9135 13.5846 13.5846 18.1786 18.1786 25.5680 25.5680 27.9592 27.9592 32.1351 32.1351 35.6987 35.6987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.3532-0.1773 ( 235 PWs) bands (ev): 8.7720 8.7720 14.5657 14.5657 17.2907 17.2907 26.2197 26.2197 28.9023 28.9023 32.9650 32.9650 37.5289 37.5289 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.3532-0.0937 ( 234 PWs) bands (ev): 8.0101 8.0101 12.8800 12.8800 19.3332 19.3332 25.0886 25.0886 31.1161 31.1161 34.9847 34.9847 40.1529 40.1529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.3532-0.0100 ( 233 PWs) bands (ev): 7.6116 7.6116 11.0999 11.0999 20.8203 20.8203 25.1027 25.1027 33.8641 33.8641 37.0356 37.0356 42.2915 42.2929 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.3532 0.0737 ( 233 PWs) bands (ev): 7.4588 7.4588 9.8231 9.8231 20.3014 20.3014 27.6931 27.6931 36.2316 36.2316 38.9361 38.9361 38.9821 38.9821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.3532 0.1574 ( 229 PWs) bands (ev): 7.2181 7.2181 9.4532 9.4532 19.4221 19.4221 30.7409 30.7409 34.3060 34.3060 39.4342 39.4342 40.5831 40.5831 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.4325 0.2679 ( 233 PWs) bands (ev): 7.5177 7.5177 11.9726 11.9726 15.8692 15.8692 29.6159 29.6159 33.8308 33.8308 38.3454 38.3454 42.1546 42.1546 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.4325 0.3516 ( 233 PWs) bands (ev): 7.3851 7.3851 13.1635 13.1635 15.9094 15.9094 26.2441 26.2441 32.9304 32.9304 40.3012 40.3012 44.1643 44.1643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.4325 0.4353 ( 234 PWs) bands (ev): 7.6545 7.6545 14.3936 14.3936 16.6108 16.6108 23.1608 23.1608 31.8075 31.8075 38.3384 38.3384 43.8647 43.8647 occupation numbers 1.0000 1.0000 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 = 0.4615 0.4325 0.5190 ( 232 PWs) bands (ev): 8.3367 8.3367 15.4878 15.4878 17.5712 17.5712 20.9847 20.9847 30.9468 30.9468 34.3567 34.3567 40.8805 40.8805 occupation numbers 1.0000 1.0000 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 = 0.4615 0.4325 0.6027 ( 226 PWs) bands (ev): 9.4261 9.4261 16.2787 16.2787 16.9540 16.9540 21.5811 21.5811 30.1405 30.1405 30.8487 30.8487 37.2566 37.2566 occupation numbers 1.0000 1.0000 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 = 0.4615 0.4325 0.6864 ( 227 PWs) bands (ev): 10.8917 10.8917 14.5817 14.5817 18.0247 18.0247 23.2264 23.2264 27.3542 27.3542 30.5971 30.5971 34.0888 34.0888 occupation numbers 1.0000 1.0000 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 = 0.4615 0.4325 0.7701 ( 226 PWs) bands (ev): 12.3441 12.3441 13.2139 13.2139 18.9164 18.9164 23.0853 23.0853 26.9324 26.9324 29.8157 29.8157 33.3473 33.3473 occupation numbers 1.0000 1.0000 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 = 0.4615 0.4325-0.2343 ( 232 PWs) bands (ev): 11.3229 11.3229 14.7160 14.7160 18.1265 18.1265 23.4204 23.4204 26.5029 26.5029 29.4743 29.4743 35.6218 35.6218 occupation numbers 1.0000 1.0000 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 = 0.4615 0.4325-0.1506 ( 235 PWs) bands (ev): 10.3103 10.3103 14.7193 14.7193 18.2747 18.2747 23.4227 23.4227 26.7834 26.7834 30.7130 30.7130 38.9578 38.9578 occupation numbers 1.0000 1.0000 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 = 0.4615 0.4325-0.0669 ( 239 PWs) bands (ev): 9.6354 9.6354 12.9836 12.9836 19.2658 19.2658 23.3458 23.3458 29.1831 29.1831 32.3870 32.3870 41.9992 41.9993 occupation numbers 1.0000 1.0000 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 = 0.4615 0.4325 0.0168 ( 237 PWs) bands (ev): 9.2021 9.2021 11.4848 11.4848 18.4071 18.4071 25.7611 25.7611 32.0286 32.0286 34.3686 34.3686 41.6733 41.6733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.4325 0.1005 ( 238 PWs) bands (ev): 8.6864 8.6864 10.8158 10.8158 17.2381 17.2381 29.0048 29.0048 34.6262 34.6262 36.3087 36.3087 38.6783 38.6783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.4325 0.1842 ( 233 PWs) bands (ev): 8.0065 8.0065 11.1030 11.1030 16.3465 16.3465 31.7409 31.7409 33.8534 33.8534 37.4726 37.4726 38.8603 38.8603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5118 0.2947 ( 235 PWs) bands (ev): 8.5532 8.5532 12.1401 12.1401 15.4683 15.4683 29.0980 29.0980 31.6990 31.6990 37.5760 37.5760 42.3303 42.3303 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5118 0.3784 ( 234 PWs) bands (ev): 8.5246 8.5246 12.2619 12.2619 16.7597 16.7597 26.6107 26.6107 29.8053 29.8053 39.5294 39.5294 43.1212 43.1212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5118 0.4621 ( 234 PWs) bands (ev): 8.9080 8.9080 12.6984 12.6984 18.2895 18.2895 24.1656 24.1656 28.3545 28.3545 37.9801 37.9801 40.9101 40.9101 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9957 0.9957 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5118 0.5458 ( 231 PWs) bands (ev): 9.7023 9.7023 13.4870 13.4870 19.1417 19.1417 22.6919 22.6919 27.5603 27.5603 34.1520 34.1520 37.4657 37.4657 occupation numbers 1.0000 1.0000 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 = 0.4615 0.5118 0.6295 ( 227 PWs) bands (ev): 10.8917 10.8917 14.5817 14.5817 18.0247 18.0247 23.2264 23.2264 27.3542 27.3542 30.5971 30.5971 34.0888 34.0888 occupation numbers 1.0000 1.0000 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 = 0.4615 0.5118 0.7132 ( 231 PWs) bands (ev): 12.4259 12.4259 15.3987 15.3987 16.9386 16.9386 23.7151 23.7151 26.2354 26.2354 28.4091 28.4091 32.6861 32.6861 occupation numbers 1.0000 1.0000 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 = 0.4615 0.5118 0.7969 ( 232 PWs) bands (ev): 13.8769 13.8769 14.6738 14.6738 17.9646 17.9646 22.5120 22.5120 25.4134 25.4134 26.3269 26.3269 34.7300 34.7300 occupation numbers 1.0000 1.0000 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 = 0.4615 0.5118-0.2075 ( 237 PWs) bands (ev): 13.0265 13.0265 15.7107 15.7107 18.6188 18.6188 21.6224 21.6224 24.0521 24.0521 26.6600 26.6600 38.0739 38.0739 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 k = 0.4615 0.5118-0.1238 ( 239 PWs) bands (ev): 12.1288 12.1288 15.0129 15.0129 18.5861 18.5861 21.9288 21.9288 25.0426 25.0426 27.9640 27.9640 41.3311 41.3311 occupation numbers 1.0000 1.0000 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 = 0.4615 0.5118-0.0401 ( 239 PWs) bands (ev): 11.4466 11.4466 13.4811 13.4811 17.2784 17.2784 24.1667 24.1667 27.6102 27.6102 29.7789 29.7789 41.6296 41.6296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9953 0.9953 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5118 0.0436 ( 238 PWs) bands (ev): 10.6971 10.6971 12.4705 12.4705 15.8720 15.8720 27.1069 27.1069 30.5210 30.5210 32.0012 32.0012 39.4445 39.4445 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5118 0.1273 ( 238 PWs) bands (ev): 9.7544 9.7544 12.2185 12.2185 14.9274 14.9274 30.0369 30.0369 32.3511 32.3511 34.7645 34.7645 37.7692 37.7692 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5118 0.2110 ( 236 PWs) bands (ev): 8.9799 8.9799 12.1884 12.1884 14.7637 14.7637 31.2474 31.2474 32.3290 32.3290 36.6037 36.6037 38.5886 38.5886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5911 0.3215 ( 234 PWs) bands (ev): 9.6489 9.6489 10.3964 10.3964 17.8595 17.8595 26.3636 26.3636 32.0598 32.0598 36.3137 36.3137 42.9982 42.9982 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5911 0.4052 ( 234 PWs) bands (ev): 9.7235 9.7235 10.5126 10.5126 19.0324 19.0324 25.2266 25.2266 29.4876 29.4876 38.3027 38.3027 42.0346 42.0346 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5911 0.4889 ( 237 PWs) bands (ev): 10.2082 10.2082 11.0324 11.0324 19.7872 19.7872 25.0347 25.0347 26.8975 26.8975 37.8252 37.8252 38.0802 38.0802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5911 0.5726 ( 229 PWs) bands (ev): 11.0920 11.0920 11.9464 11.9464 19.6697 19.6697 24.4441 24.4441 26.3100 26.3100 33.8084 33.8084 35.0573 35.0573 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5911 0.6563 ( 226 PWs) bands (ev): 12.3441 12.3441 13.2139 13.2139 18.9164 18.9164 23.0853 23.0853 26.9324 26.9324 29.8157 29.8157 33.3473 33.3473 occupation numbers 1.0000 1.0000 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 = 0.4615 0.5911 0.7400 ( 232 PWs) bands (ev): 13.8769 13.8769 14.6738 14.6738 17.9646 17.9646 22.5120 22.5120 25.4134 25.4134 26.3269 26.3269 34.7300 34.7300 occupation numbers 1.0000 1.0000 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 = 0.4615 0.5911 0.8236 ( 238 PWs) bands (ev): 15.3601 15.3601 15.4300 15.4300 18.0046 18.0046 21.9794 21.9794 23.6853 23.6853 23.6902 23.6902 37.7703 37.7703 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 k = 0.4615 0.5911-0.1807 ( 240 PWs) bands (ev): 14.7621 14.7621 15.9459 15.9459 19.3517 19.3517 20.3953 20.3953 22.8688 22.8688 24.2031 24.2031 40.9144 40.9144 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9365 0.9365 0.0000 0.0000 k = 0.4615 0.5911-0.0970 ( 236 PWs) bands (ev): 13.9458 13.9458 14.8855 14.8855 17.7922 17.7922 22.2398 22.2398 24.5172 24.5172 25.7213 25.7213 41.1195 41.1195 occupation numbers 1.0000 1.0000 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 = 0.4615 0.5911-0.0133 ( 236 PWs) bands (ev): 13.1076 13.1076 13.3012 13.3012 16.4402 16.4402 24.5678 24.5678 27.5392 27.5392 27.7970 27.7970 38.6178 38.6178 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5911 0.0704 ( 236 PWs) bands (ev): 11.8504 11.8504 12.1808 12.1808 15.9018 15.9018 26.9596 26.9596 29.6427 29.6427 31.2455 31.2455 36.6935 36.6935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5911 0.1541 ( 236 PWs) bands (ev): 10.7270 10.7270 11.3018 11.3018 16.0874 16.0874 29.4480 29.4480 29.5733 29.5733 35.3784 35.3784 36.8164 36.8164 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.5911 0.2378 ( 235 PWs) bands (ev): 9.9858 9.9858 10.6730 10.6730 16.7954 16.7954 27.9940 27.9940 31.8876 31.8876 36.4061 36.4061 39.6572 39.6572 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.3604-0.0000 ( 234 PWs) bands (ev): 8.0377 8.0377 11.8896 11.8896 19.5177 19.5177 24.7177 24.7177 32.5424 32.5424 35.7127 35.7127 42.9635 42.9635 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.3604 0.0837 ( 232 PWs) bands (ev): 8.2488 8.2488 12.0865 12.0865 19.1986 19.1986 25.3718 25.3718 30.7136 30.7136 37.0542 37.0542 40.5853 40.5853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.3604 0.1674 ( 235 PWs) bands (ev): 8.8785 8.8785 12.6659 12.6659 18.6080 18.6080 26.8436 26.8436 28.0572 28.0572 35.4894 35.4894 38.1672 38.1672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.3604 0.2511 ( 231 PWs) bands (ev): 9.9135 9.9135 13.5846 13.5846 18.1786 18.1786 25.5680 25.5680 27.9592 27.9592 32.1351 32.1351 35.6987 35.6987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.3604 0.3348 ( 232 PWs) bands (ev): 11.3229 11.3229 14.7160 14.7160 18.1265 18.1265 23.4204 23.4204 26.5029 26.5029 29.4743 29.4743 35.6218 35.6218 occupation numbers 1.0000 1.0000 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 = 0.4615-0.3604 0.4185 ( 237 PWs) bands (ev): 13.0265 13.0265 15.7107 15.7107 18.6188 18.6188 21.6224 21.6224 24.0521 24.0521 26.6600 26.6600 38.0739 38.0739 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 k = 0.4615-0.3604 0.5022 ( 240 PWs) bands (ev): 14.7621 14.7621 15.9459 15.9459 19.3517 19.3517 20.3954 20.3954 22.8688 22.8688 24.2031 24.2031 40.9144 40.9144 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9365 0.9365 0.0000 0.0000 k = 0.4615-0.3604-0.5022 ( 240 PWs) bands (ev): 14.7621 14.7621 15.9459 15.9459 19.3517 19.3517 20.3953 20.3953 22.8688 22.8688 24.2031 24.2031 40.9144 40.9144 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9365 0.9365 0.0000 0.0000 k = 0.4615-0.3604-0.4185 ( 237 PWs) bands (ev): 13.0265 13.0265 15.7107 15.7107 18.6188 18.6188 21.6224 21.6224 24.0521 24.0521 26.6600 26.6600 38.0739 38.0739 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 k = 0.4615-0.3604-0.3348 ( 232 PWs) bands (ev): 11.3229 11.3229 14.7160 14.7160 18.1265 18.1265 23.4204 23.4204 26.5029 26.5029 29.4743 29.4743 35.6218 35.6218 occupation numbers 1.0000 1.0000 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 = 0.4615-0.3604-0.2511 ( 231 PWs) bands (ev): 9.9135 9.9135 13.5846 13.5846 18.1786 18.1786 25.5680 25.5680 27.9592 27.9592 32.1351 32.1351 35.6987 35.6987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.3604-0.1674 ( 235 PWs) bands (ev): 8.8785 8.8785 12.6659 12.6659 18.6080 18.6080 26.8436 26.8436 28.0572 28.0572 35.4894 35.4894 38.1672 38.1672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.3604-0.0837 ( 232 PWs) bands (ev): 8.2488 8.2488 12.0865 12.0865 19.1986 19.1986 25.3718 25.3718 30.7136 30.7136 37.0542 37.0542 40.5853 40.5853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2811 0.0268 ( 233 PWs) bands (ev): 6.4951 6.4951 13.9641 13.9641 18.2122 18.2122 26.6944 26.6944 32.1379 32.1379 36.4563 36.4563 42.1835 42.1835 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2811 0.1105 ( 230 PWs) bands (ev): 6.8381 6.8381 14.1195 14.1195 17.2694 17.2694 28.2811 28.2811 31.7624 31.7624 36.4161 36.4161 39.0407 39.0407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2811 0.1942 ( 234 PWs) bands (ev): 7.6025 7.6025 14.3993 14.3993 16.8712 16.8712 29.0206 29.0206 29.7849 29.7849 34.4898 34.4898 38.5783 38.5784 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2811 0.2779 ( 235 PWs) bands (ev): 8.7720 8.7720 14.5657 14.5657 17.2907 17.2907 26.2197 26.2197 28.9023 28.9023 32.9650 32.9650 37.5289 37.5289 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2811 0.3616 ( 235 PWs) bands (ev): 10.3103 10.3103 14.7193 14.7193 18.2747 18.2747 23.4227 23.4227 26.7834 26.7834 30.7130 30.7130 38.9578 38.9578 occupation numbers 1.0000 1.0000 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 = 0.4615-0.2811 0.4453 ( 239 PWs) bands (ev): 12.1288 12.1288 15.0129 15.0129 18.5861 18.5861 21.9288 21.9288 25.0426 25.0426 27.9640 27.9640 41.3311 41.3311 occupation numbers 1.0000 1.0000 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 = 0.4615-0.2811 0.5290 ( 236 PWs) bands (ev): 13.9458 13.9458 14.8855 14.8855 17.7922 17.7922 22.2398 22.2398 24.5172 24.5172 25.7213 25.7213 41.1195 41.1195 occupation numbers 1.0000 1.0000 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 = 0.4615-0.2811-0.4754 ( 237 PWs) bands (ev): 13.0265 13.0265 15.7107 15.7107 18.6188 18.6188 21.6224 21.6224 24.0521 24.0521 26.6600 26.6600 38.0739 38.0739 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 k = 0.4615-0.2811-0.3917 ( 233 PWs) bands (ev): 11.0737 11.0737 16.6980 16.6980 18.9762 18.9762 22.1454 22.1454 24.1368 24.1368 29.0672 29.0672 35.2612 35.2612 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9995 0.9995 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2811-0.3080 ( 230 PWs) bands (ev): 9.3668 9.3668 16.3557 16.3557 19.3460 19.3460 23.1612 23.1612 26.0581 26.0581 30.1407 30.1407 35.0706 35.0706 occupation numbers 1.0000 1.0000 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 = 0.4615-0.2811-0.2243 ( 231 PWs) bands (ev): 8.0271 8.0271 15.3938 15.3938 19.9702 19.9702 24.5889 24.5889 26.5703 26.5703 31.6711 31.6711 37.8818 37.8818 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2811-0.1406 ( 232 PWs) bands (ev): 7.0927 7.0927 14.5895 14.5895 20.0558 20.0558 25.3589 25.3589 27.1302 27.1302 35.2544 35.2544 40.8041 40.8041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2811-0.0569 ( 231 PWs) bands (ev): 6.5799 6.5799 14.1049 14.1049 19.3254 19.3254 25.5783 25.5783 29.6716 29.6716 37.8514 37.8514 41.5658 41.5658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2018 0.0536 ( 231 PWs) bands (ev): 5.3532 5.3532 14.8212 14.8212 17.5546 17.5546 29.6906 29.6906 31.8517 31.8517 37.3129 37.3129 41.6087 41.6087 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2018 0.1373 ( 230 PWs) bands (ev): 5.8285 5.8285 13.8762 13.8762 17.7813 17.7813 31.1794 31.1794 32.0376 32.0376 36.9944 36.9944 38.4520 38.4520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2018 0.2210 ( 234 PWs) bands (ev): 6.7221 6.7221 13.1939 13.1939 18.4620 18.4620 28.2765 28.2765 32.7224 32.7224 36.2329 36.2329 38.9755 38.9755 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2018 0.3047 ( 234 PWs) bands (ev): 8.0101 8.0101 12.8800 12.8800 19.3332 19.3332 25.0886 25.0886 31.1161 31.1161 34.9847 34.9847 40.1529 40.1529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2018 0.3884 ( 239 PWs) bands (ev): 9.6354 9.6354 12.9836 12.9836 19.2658 19.2658 23.3458 23.3458 29.1831 29.1831 32.3870 32.3870 41.9992 41.9993 occupation numbers 1.0000 1.0000 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 = 0.4615-0.2018 0.4720 ( 239 PWs) bands (ev): 11.4466 11.4466 13.4811 13.4811 17.2784 17.2784 24.1667 24.1667 27.6102 27.6102 29.7789 29.7789 41.6296 41.6296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9953 0.9953 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2018 0.5557 ( 236 PWs) bands (ev): 13.1076 13.1076 13.3012 13.3012 16.4402 16.4402 24.5678 24.5678 27.5392 27.5392 27.7970 27.7970 38.6178 38.6178 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2018-0.4486 ( 232 PWs) bands (ev): 11.3229 11.3229 14.7160 14.7160 18.1265 18.1265 23.4204 23.4204 26.5029 26.5029 29.4743 29.4743 35.6218 35.6218 occupation numbers 1.0000 1.0000 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 = 0.4615-0.2018-0.3649 ( 230 PWs) bands (ev): 9.3668 9.3668 16.3557 16.3557 19.3460 19.3460 23.1612 23.1612 26.0581 26.0581 30.1407 30.1407 35.0706 35.0706 occupation numbers 1.0000 1.0000 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 = 0.4615-0.2018-0.2812 ( 231 PWs) bands (ev): 7.7388 7.7388 17.8062 17.8062 19.0505 19.0505 23.5120 23.5120 27.3128 27.3128 29.2784 29.2784 37.6958 37.6958 occupation numbers 1.0000 1.0000 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 = 0.4615-0.2018-0.1975 ( 232 PWs) bands (ev): 6.5060 6.5060 17.4216 17.4216 19.6881 19.6881 23.2755 23.2755 28.2272 28.2272 31.4829 31.4829 41.0563 41.0563 occupation numbers 1.0000 1.0000 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 = 0.4615-0.2018-0.1138 ( 236 PWs) bands (ev): 5.6920 5.6920 16.6068 16.6068 19.0550 19.0550 24.7380 24.7380 28.9481 28.9481 35.4162 35.4162 43.4825 43.4826 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.2018-0.0301 ( 230 PWs) bands (ev): 5.3068 5.3068 15.7911 15.7911 17.9896 17.9896 27.1798 27.1798 30.2804 30.2804 38.4872 38.4872 42.6468 42.6468 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.1225 0.0804 ( 232 PWs) bands (ev): 4.6323 4.6323 12.9542 12.9542 20.1244 20.1244 30.2341 30.2341 33.7021 33.7021 37.5193 37.5193 42.6441 42.6441 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.1225 0.1641 ( 232 PWs) bands (ev): 5.2348 5.2348 11.9036 11.9036 20.5960 20.5960 30.2957 30.2957 34.3188 34.3188 37.6256 37.6256 40.3102 40.3102 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.1225 0.2478 ( 233 PWs) bands (ev): 6.2436 6.2436 11.2704 11.2704 21.1951 21.1951 27.0658 27.0658 35.5083 35.5083 38.9828 38.9828 39.1488 39.1488 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.1225 0.3315 ( 233 PWs) bands (ev): 7.6116 7.6116 11.0999 11.0999 20.8203 20.8203 25.1027 25.1027 33.8641 33.8641 37.0356 37.0356 42.2915 42.2915 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.1225 0.4151 ( 237 PWs) bands (ev): 9.2021 9.2021 11.4848 11.4848 18.4071 18.4071 25.7611 25.7611 32.0286 32.0286 34.3686 34.3686 41.6733 41.6733 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.1225 0.4988 ( 238 PWs) bands (ev): 10.6971 10.6971 12.4705 12.4705 15.8720 15.8720 27.1069 27.1069 30.5210 30.5210 32.0012 32.0012 39.4445 39.4445 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.1225 0.5825 ( 236 PWs) bands (ev): 11.8504 11.8504 12.1808 12.1808 15.9018 15.9018 26.9596 26.9596 29.6427 29.6427 31.2455 31.2455 36.6935 36.6935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.1225-0.4218 ( 231 PWs) bands (ev): 9.9135 9.9135 13.5846 13.5846 18.1786 18.1786 25.5680 25.5680 27.9592 27.9592 32.1351 32.1351 35.6987 35.6987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.1225-0.3381 ( 231 PWs) bands (ev): 8.0271 8.0271 15.3938 15.3938 19.9702 19.9702 24.5889 24.5889 26.5703 26.5703 31.6711 31.6711 37.8818 37.8818 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.1225-0.2544 ( 232 PWs) bands (ev): 6.5060 6.5060 17.4216 17.4216 19.6881 19.6881 23.2755 23.2755 28.2272 28.2272 31.4829 31.4829 41.0563 41.0563 occupation numbers 1.0000 1.0000 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 = 0.4615-0.1225-0.1707 ( 230 PWs) bands (ev): 5.3945 5.3945 17.8437 17.8437 19.6581 19.6581 22.4810 22.4810 31.7750 31.7750 31.9239 31.9239 44.2888 44.2888 occupation numbers 1.0000 1.0000 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 = 0.4615-0.1225-0.0870 ( 233 PWs) bands (ev): 4.7086 4.7086 16.0860 16.0860 20.0638 20.0638 24.0591 24.0591 32.6093 32.6093 35.9794 35.9794 44.3639 44.3640 occupation numbers 1.0000 1.0000 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 = 0.4615-0.1225-0.0033 ( 233 PWs) bands (ev): 4.4545 4.4545 14.3763 14.3763 19.9650 19.9650 27.0113 27.0113 33.5657 33.5657 38.9043 38.9043 42.2127 42.2127 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.0432 0.1072 ( 229 PWs) bands (ev): 4.3348 4.3348 11.0837 11.0837 23.3293 23.3293 29.9485 29.9485 33.9124 33.9124 38.3482 38.3482 42.7520 42.7521 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.0432 0.1909 ( 226 PWs) bands (ev): 5.0510 5.0510 10.1503 10.1503 23.6583 23.6583 29.3240 29.3240 34.6202 34.6202 38.1143 38.1143 42.8485 42.8485 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.0432 0.2745 ( 229 PWs) bands (ev): 6.1365 6.1365 9.6902 9.6902 22.9997 22.9997 27.2798 27.2798 37.2383 37.2383 37.9055 37.9055 41.4860 41.4860 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.0432 0.3582 ( 233 PWs) bands (ev): 7.4588 7.4588 9.8231 9.8231 20.3014 20.3014 27.6931 27.6931 36.2316 36.2316 38.9361 38.9361 38.9821 38.9821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.0432 0.4419 ( 238 PWs) bands (ev): 8.6864 8.6864 10.8158 10.8158 17.2381 17.2381 29.0048 29.0048 34.6262 34.6262 36.3087 36.3087 38.6783 38.6783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.0432 0.5256 ( 238 PWs) bands (ev): 9.7544 9.7544 12.2185 12.2185 14.9274 14.9274 30.0369 30.0369 32.3511 32.3511 34.7645 34.7645 37.7692 37.7692 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.0432 0.6093 ( 236 PWs) bands (ev): 10.7270 10.7270 11.3018 11.3018 16.0874 16.0874 29.4480 29.4480 29.5733 29.5733 35.3784 35.3784 36.8164 36.8164 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.0432-0.3950 ( 235 PWs) bands (ev): 8.8785 8.8785 12.6659 12.6659 18.6080 18.6080 26.8436 26.8436 28.0572 28.0572 35.4894 35.4894 38.1672 38.1672 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.0432-0.3113 ( 232 PWs) bands (ev): 7.0927 7.0927 14.5895 14.5895 20.0558 20.0558 25.3589 25.3589 27.1302 27.1302 35.2544 35.2544 40.8041 40.8041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.0432-0.2276 ( 236 PWs) bands (ev): 5.6920 5.6920 16.6068 16.6068 19.0550 19.0550 24.7380 24.7380 28.9481 28.9481 35.4162 35.4162 43.4825 43.4825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.0432-0.1439 ( 233 PWs) bands (ev): 4.7086 4.7086 16.0860 16.0860 20.0638 20.0638 24.0591 24.0591 32.6093 32.6093 35.9794 35.9794 44.3639 44.3640 occupation numbers 1.0000 1.0000 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 = 0.4615-0.0432-0.0602 ( 232 PWs) bands (ev): 4.1539 4.1539 14.1586 14.1586 22.4538 22.4538 24.1375 24.1375 35.9012 35.9012 37.5089 37.5089 42.0159 42.0159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9995 0.9995 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615-0.0432 0.0235 ( 232 PWs) bands (ev): 4.0307 4.0307 12.4383 12.4383 23.0560 23.0560 26.7334 26.7334 36.3866 36.3866 38.9308 38.9308 41.0999 41.0999 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.0361 0.1340 ( 228 PWs) bands (ev): 4.4506 4.4506 9.5812 9.5812 26.6362 26.6362 29.8233 29.8233 32.6837 32.6837 36.4211 36.4211 45.1512 45.1512 occupation numbers 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 = 0.4615 0.0361 0.2176 ( 228 PWs) bands (ev): 5.2418 5.2418 8.8292 8.8292 25.7320 25.7320 29.6938 29.6938 33.1319 33.1319 36.9817 36.9817 45.0908 45.0909 occupation numbers 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 = 0.4615 0.0361 0.3013 ( 226 PWs) bands (ev): 6.2764 6.2764 8.6818 8.6818 22.7897 22.7897 29.8140 29.8140 34.0139 34.0139 39.1467 39.1467 43.1082 43.1082 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.0361 0.3850 ( 229 PWs) bands (ev): 7.2181 7.2181 9.4532 9.4532 19.4221 19.4221 30.7409 30.7409 34.3060 34.3060 39.4342 39.4342 40.5831 40.5831 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.0361 0.4687 ( 233 PWs) bands (ev): 8.0065 8.0065 11.1030 11.1030 16.3465 16.3465 31.7409 31.7409 33.8534 33.8534 37.4726 37.4726 38.8603 38.8603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.0361 0.5524 ( 236 PWs) bands (ev): 8.9799 8.9799 12.1884 12.1884 14.7637 14.7637 31.2474 31.2474 32.3290 32.3290 36.6037 36.6037 38.5886 38.5886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.0361 0.6361 ( 235 PWs) bands (ev): 9.9858 9.9858 10.6730 10.6730 16.7954 16.7954 27.9940 27.9940 31.8876 31.8876 36.4061 36.4061 39.6572 39.6572 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.0361-0.3682 ( 232 PWs) bands (ev): 8.2488 8.2488 12.0865 12.0865 19.1986 19.1986 25.3718 25.3718 30.7136 30.7136 37.0542 37.0542 40.5853 40.5853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.0361-0.2845 ( 231 PWs) bands (ev): 6.5799 6.5799 14.1049 14.1049 19.3254 19.3254 25.5783 25.5783 29.6716 29.6716 37.8514 37.8514 41.5658 41.5658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.0361-0.2008 ( 230 PWs) bands (ev): 5.3068 5.3068 15.7911 15.7911 17.9896 17.9896 27.1798 27.1798 30.2804 30.2804 38.4872 38.4872 42.6467 42.6467 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.0361-0.1171 ( 233 PWs) bands (ev): 4.4545 4.4545 14.3763 14.3763 19.9650 19.9650 27.0113 27.0113 33.5657 33.5657 38.9043 38.9043 42.2127 42.2127 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.0361-0.0334 ( 232 PWs) bands (ev): 4.0307 4.0307 12.4383 12.4383 23.0560 23.0560 26.7334 26.7334 36.3866 36.3866 38.9308 38.9308 41.0999 41.0999 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4615 0.0361 0.0503 ( 232 PWs) bands (ev): 4.0336 4.0336 10.8056 10.8056 26.2394 26.2394 26.8993 26.8993 35.9850 35.9850 36.8936 36.8936 43.3058 43.3058 occupation numbers 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 the Fermi energy is 24.2397 ev ! total energy = -20.64054311 Ry Harris-Foulkes estimate = -20.64054311 Ry estimated scf accuracy < 1.3E-09 Ry The total energy is the sum of the following terms: one-electron contribution = 12.07699737 Ry hartree contribution = 0.27774758 Ry xc contribution = -5.66211598 Ry ewald contribution = -27.33316395 Ry smearing contrib. (-TS) = -0.00000813 Ry convergence has been achieved in 5 iterations Writing output data file S.save init_run : 2.61s CPU 2.94s WALL ( 1 calls) electrons : 66.81s CPU 70.99s WALL ( 1 calls) Called by init_run: wfcinit : 2.57s CPU 2.69s WALL ( 1 calls) potinit : 0.00s CPU 0.00s WALL ( 1 calls) Called by electrons: c_bands : 56.13s CPU 60.01s WALL ( 6 calls) sum_band : 10.60s CPU 10.88s WALL ( 6 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 6 calls) v_h : 0.00s CPU 0.00s WALL ( 6 calls) v_xc : 0.00s CPU 0.00s WALL ( 6 calls) newd : 0.05s CPU 0.06s WALL ( 6 calls) mix_rho : 0.00s CPU 0.00s WALL ( 6 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.12s WALL ( 14287 calls) cegterg : 54.96s CPU 57.39s WALL ( 6594 calls) Called by sum_band: sum_band:bec : 6.33s CPU 6.40s WALL ( 6594 calls) addusdens : 0.00s CPU 0.01s WALL ( 6 calls) Called by *egterg: h_psi : 22.70s CPU 24.08s WALL ( 25494 calls) s_psi : 0.91s CPU 1.06s WALL ( 25494 calls) g_psi : 0.05s CPU 0.03s WALL ( 17801 calls) cdiaghg : 27.83s CPU 28.87s WALL ( 23296 calls) cegterg:over : 1.63s CPU 1.58s WALL ( 17801 calls) cegterg:upda : 0.98s CPU 1.06s WALL ( 17801 calls) cegterg:last : 0.68s CPU 0.69s WALL ( 7573 calls) cdiaghg:chol : 1.72s CPU 1.87s WALL ( 23296 calls) cdiaghg:inve : 0.43s CPU 0.50s WALL ( 23296 calls) cdiaghg:para : 2.40s CPU 2.45s WALL ( 46592 calls) Called by h_psi: h_psi:vloc : 20.26s CPU 21.38s WALL ( 25494 calls) h_psi:vnl : 2.38s CPU 2.64s WALL ( 25494 calls) add_vuspsi : 1.18s CPU 1.36s WALL ( 25494 calls) General routines calbec : 1.47s CPU 1.58s WALL ( 32088 calls) fft : 0.00s CPU 0.01s WALL ( 180 calls) ffts : 0.00s CPU 0.00s WALL ( 48 calls) fftw : 22.92s CPU 24.16s WALL ( 1189604 calls) interpolate : 0.00s CPU 0.00s WALL ( 48 calls) Parallel routines fft_scatter : 18.27s CPU 19.36s WALL ( 1189832 calls) PWSCF : 1m17.80s CPU 1m45.40s WALL This run was terminated on: 21:17:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=