Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 1: 3 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 23 13 5 383 164 40 Max 24 14 6 385 176 41 Sum 837 493 189 13815 6127 1449 bravais-lattice index = 14 lattice parameter (alat) = 7.4709 a.u. unit-cell volume = 140.6560 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 12.00 number of Kohn-Sham states= 20 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry convergence threshold = 1.0E-08 mixing beta = 0.7000 number of iterations used = 8 plain mixing Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.470942 celldm(2)= 0.925010 celldm(3)= 0.651165 celldm(4)= 0.232147 celldm(5)= 0.436427 celldm(6)= 0.773844 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.715814 0.585879 0.000000 ) a(3) = ( 0.284186 -0.108544 0.575737 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.221777 -0.723947 ) b(2) = ( 0.000000 1.706836 0.321792 ) b(3) = ( 0.000000 0.000000 1.736905 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 666 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0007513 k( 2) = ( 0.0000000 0.0000000 0.1579005), wk = 0.0015026 k( 3) = ( 0.0000000 0.0000000 0.3158009), wk = 0.0015026 k( 4) = ( 0.0000000 0.0000000 0.4737014), wk = 0.0015026 k( 5) = ( 0.0000000 0.0000000 0.6316018), wk = 0.0015026 k( 6) = ( 0.0000000 0.0000000 0.7895023), wk = 0.0015026 k( 7) = ( 0.0000000 0.1551669 0.0292538), wk = 0.0015026 k( 8) = ( 0.0000000 0.1551669 0.1871543), wk = 0.0015026 k( 9) = ( 0.0000000 0.1551669 0.3450548), wk = 0.0015026 k( 10) = ( 0.0000000 0.1551669 0.5029552), wk = 0.0015026 k( 11) = ( 0.0000000 0.1551669 0.6608557), wk = 0.0015026 k( 12) = ( 0.0000000 0.1551669 0.8187561), wk = 0.0015026 k( 13) = ( 0.0000000 0.1551669 -0.7602485), wk = 0.0015026 k( 14) = ( 0.0000000 0.1551669 -0.6023480), wk = 0.0015026 k( 15) = ( 0.0000000 0.1551669 -0.4444475), wk = 0.0015026 k( 16) = ( 0.0000000 0.1551669 -0.2865471), wk = 0.0015026 k( 17) = ( 0.0000000 0.1551669 -0.1286466), wk = 0.0015026 k( 18) = ( 0.0000000 0.3103338 0.0585077), wk = 0.0015026 k( 19) = ( 0.0000000 0.3103338 0.2164081), wk = 0.0015026 k( 20) = ( 0.0000000 0.3103338 0.3743086), wk = 0.0015026 k( 21) = ( 0.0000000 0.3103338 0.5322091), wk = 0.0015026 k( 22) = ( 0.0000000 0.3103338 0.6901095), wk = 0.0015026 k( 23) = ( 0.0000000 0.3103338 0.8480100), wk = 0.0015026 k( 24) = ( 0.0000000 0.3103338 -0.7309946), wk = 0.0015026 k( 25) = ( 0.0000000 0.3103338 -0.5730942), wk = 0.0015026 k( 26) = ( 0.0000000 0.3103338 -0.4151937), wk = 0.0015026 k( 27) = ( 0.0000000 0.3103338 -0.2572932), wk = 0.0015026 k( 28) = ( 0.0000000 0.3103338 -0.0993928), wk = 0.0015026 k( 29) = ( 0.0000000 0.4655007 0.0877615), wk = 0.0015026 k( 30) = ( 0.0000000 0.4655007 0.2456620), wk = 0.0015026 k( 31) = ( 0.0000000 0.4655007 0.4035624), wk = 0.0015026 k( 32) = ( 0.0000000 0.4655007 0.5614629), wk = 0.0015026 k( 33) = ( 0.0000000 0.4655007 0.7193634), wk = 0.0015026 k( 34) = ( 0.0000000 0.4655007 0.8772638), wk = 0.0015026 k( 35) = ( 0.0000000 0.4655007 -0.7017408), wk = 0.0015026 k( 36) = ( 0.0000000 0.4655007 -0.5438403), wk = 0.0015026 k( 37) = ( 0.0000000 0.4655007 -0.3859399), wk = 0.0015026 k( 38) = ( 0.0000000 0.4655007 -0.2280394), wk = 0.0015026 k( 39) = ( 0.0000000 0.4655007 -0.0701389), wk = 0.0015026 k( 40) = ( 0.0000000 0.6206676 0.1170154), wk = 0.0015026 k( 41) = ( 0.0000000 0.6206676 0.2749158), wk = 0.0015026 k( 42) = ( 0.0000000 0.6206676 0.4328163), wk = 0.0015026 k( 43) = ( 0.0000000 0.6206676 0.5907167), wk = 0.0015026 k( 44) = ( 0.0000000 0.6206676 0.7486172), wk = 0.0015026 k( 45) = ( 0.0000000 0.6206676 0.9065177), wk = 0.0015026 k( 46) = ( 0.0000000 0.6206676 -0.6724869), wk = 0.0015026 k( 47) = ( 0.0000000 0.6206676 -0.5145865), wk = 0.0015026 k( 48) = ( 0.0000000 0.6206676 -0.3566860), wk = 0.0015026 k( 49) = ( 0.0000000 0.6206676 -0.1987856), wk = 0.0015026 k( 50) = ( 0.0000000 0.6206676 -0.0408851), wk = 0.0015026 k( 51) = ( 0.0000000 0.7758345 0.1462692), wk = 0.0015026 k( 52) = ( 0.0000000 0.7758345 0.3041697), wk = 0.0015026 k( 53) = ( 0.0000000 0.7758345 0.4620701), wk = 0.0015026 k( 54) = ( 0.0000000 0.7758345 0.6199706), wk = 0.0015026 k( 55) = ( 0.0000000 0.7758345 0.7778710), wk = 0.0015026 k( 56) = ( 0.0000000 0.7758345 0.9357715), wk = 0.0015026 k( 57) = ( 0.0000000 0.7758345 -0.6432331), wk = 0.0015026 k( 58) = ( 0.0000000 0.7758345 -0.4853326), wk = 0.0015026 k( 59) = ( 0.0000000 0.7758345 -0.3274322), wk = 0.0015026 k( 60) = ( 0.0000000 0.7758345 -0.1695317), wk = 0.0015026 k( 61) = ( 0.0000000 0.7758345 -0.0116313), wk = 0.0015026 k( 62) = ( 0.0909091 -0.1110706 -0.0658134), wk = 0.0015026 k( 63) = ( 0.0909091 -0.1110706 0.0920871), wk = 0.0015026 k( 64) = ( 0.0909091 -0.1110706 0.2499875), wk = 0.0015026 k( 65) = ( 0.0909091 -0.1110706 0.4078880), wk = 0.0015026 k( 66) = ( 0.0909091 -0.1110706 0.5657884), wk = 0.0015026 k( 67) = ( 0.0909091 -0.1110706 0.7236889), wk = 0.0015026 k( 68) = ( 0.0909091 -0.1110706 -0.8553157), wk = 0.0015026 k( 69) = ( 0.0909091 -0.1110706 -0.6974152), wk = 0.0015026 k( 70) = ( 0.0909091 -0.1110706 -0.5395148), wk = 0.0015026 k( 71) = ( 0.0909091 -0.1110706 -0.3816143), wk = 0.0015026 k( 72) = ( 0.0909091 -0.1110706 -0.2237139), wk = 0.0015026 k( 73) = ( 0.0909091 0.0440963 -0.0365596), wk = 0.0015026 k( 74) = ( 0.0909091 0.0440963 0.1213409), wk = 0.0015026 k( 75) = ( 0.0909091 0.0440963 0.2792414), wk = 0.0015026 k( 76) = ( 0.0909091 0.0440963 0.4371418), wk = 0.0015026 k( 77) = ( 0.0909091 0.0440963 0.5950423), wk = 0.0015026 k( 78) = ( 0.0909091 0.0440963 0.7529427), wk = 0.0015026 k( 79) = ( 0.0909091 0.0440963 -0.8260619), wk = 0.0015026 k( 80) = ( 0.0909091 0.0440963 -0.6681614), wk = 0.0015026 k( 81) = ( 0.0909091 0.0440963 -0.5102609), wk = 0.0015026 k( 82) = ( 0.0909091 0.0440963 -0.3523605), wk = 0.0015026 k( 83) = ( 0.0909091 0.0440963 -0.1944600), wk = 0.0015026 k( 84) = ( 0.0909091 0.1992632 -0.0073057), wk = 0.0015026 k( 85) = ( 0.0909091 0.1992632 0.1505947), wk = 0.0015026 k( 86) = ( 0.0909091 0.1992632 0.3084952), wk = 0.0015026 k( 87) = ( 0.0909091 0.1992632 0.4663957), wk = 0.0015026 k( 88) = ( 0.0909091 0.1992632 0.6242961), wk = 0.0015026 k( 89) = ( 0.0909091 0.1992632 0.7821966), wk = 0.0015026 k( 90) = ( 0.0909091 0.1992632 -0.7968080), wk = 0.0015026 k( 91) = ( 0.0909091 0.1992632 -0.6389076), wk = 0.0015026 k( 92) = ( 0.0909091 0.1992632 -0.4810071), wk = 0.0015026 k( 93) = ( 0.0909091 0.1992632 -0.3231066), wk = 0.0015026 k( 94) = ( 0.0909091 0.1992632 -0.1652062), wk = 0.0015026 k( 95) = ( 0.0909091 0.3544301 0.0219481), wk = 0.0015026 k( 96) = ( 0.0909091 0.3544301 0.1798486), wk = 0.0015026 k( 97) = ( 0.0909091 0.3544301 0.3377490), wk = 0.0015026 k( 98) = ( 0.0909091 0.3544301 0.4956495), wk = 0.0015026 k( 99) = ( 0.0909091 0.3544301 0.6535500), wk = 0.0015026 k( 100) = ( 0.0909091 0.3544301 0.8114504), wk = 0.0015026 k( 101) = ( 0.0909091 0.3544301 -0.7675542), wk = 0.0015026 k( 102) = ( 0.0909091 0.3544301 -0.6096537), wk = 0.0015026 k( 103) = ( 0.0909091 0.3544301 -0.4517533), wk = 0.0015026 k( 104) = ( 0.0909091 0.3544301 -0.2938528), wk = 0.0015026 k( 105) = ( 0.0909091 0.3544301 -0.1359523), wk = 0.0015026 k( 106) = ( 0.0909091 0.5095970 0.0512020), wk = 0.0015026 k( 107) = ( 0.0909091 0.5095970 0.2091024), wk = 0.0015026 k( 108) = ( 0.0909091 0.5095970 0.3670029), wk = 0.0015026 k( 109) = ( 0.0909091 0.5095970 0.5249033), wk = 0.0015026 k( 110) = ( 0.0909091 0.5095970 0.6828038), wk = 0.0015026 k( 111) = ( 0.0909091 0.5095970 0.8407043), wk = 0.0015026 k( 112) = ( 0.0909091 0.5095970 -0.7383003), wk = 0.0015026 k( 113) = ( 0.0909091 0.5095970 -0.5803999), wk = 0.0015026 k( 114) = ( 0.0909091 0.5095970 -0.4224994), wk = 0.0015026 k( 115) = ( 0.0909091 0.5095970 -0.2645990), wk = 0.0015026 k( 116) = ( 0.0909091 0.5095970 -0.1066985), wk = 0.0015026 k( 117) = ( 0.0909091 0.6647639 0.0804558), wk = 0.0015026 k( 118) = ( 0.0909091 0.6647639 0.2383563), wk = 0.0015026 k( 119) = ( 0.0909091 0.6647639 0.3962567), wk = 0.0015026 k( 120) = ( 0.0909091 0.6647639 0.5541572), wk = 0.0015026 k( 121) = ( 0.0909091 0.6647639 0.7120576), wk = 0.0015026 k( 122) = ( 0.0909091 0.6647639 0.8699581), wk = 0.0015026 k( 123) = ( 0.0909091 0.6647639 -0.7090465), wk = 0.0015026 k( 124) = ( 0.0909091 0.6647639 -0.5511460), wk = 0.0015026 k( 125) = ( 0.0909091 0.6647639 -0.3932456), wk = 0.0015026 k( 126) = ( 0.0909091 0.6647639 -0.2353451), wk = 0.0015026 k( 127) = ( 0.0909091 0.6647639 -0.0774447), wk = 0.0015026 k( 128) = ( 0.0909091 -0.8869052 -0.2120826), wk = 0.0015026 k( 129) = ( 0.0909091 -0.8869052 -0.0541822), wk = 0.0015026 k( 130) = ( 0.0909091 -0.8869052 0.1037183), wk = 0.0015026 k( 131) = ( 0.0909091 -0.8869052 0.2616188), wk = 0.0015026 k( 132) = ( 0.0909091 -0.8869052 0.4195192), wk = 0.0015026 k( 133) = ( 0.0909091 -0.8869052 0.5774197), wk = 0.0015026 k( 134) = ( 0.0909091 -0.8869052 -1.0015849), wk = 0.0015026 k( 135) = ( 0.0909091 -0.8869052 -0.8436844), wk = 0.0015026 k( 136) = ( 0.0909091 -0.8869052 -0.6857840), wk = 0.0015026 k( 137) = ( 0.0909091 -0.8869052 -0.5278835), wk = 0.0015026 k( 138) = ( 0.0909091 -0.8869052 -0.3699831), wk = 0.0015026 k( 139) = ( 0.0909091 -0.7317383 -0.1828288), wk = 0.0015026 k( 140) = ( 0.0909091 -0.7317383 -0.0249283), wk = 0.0015026 k( 141) = ( 0.0909091 -0.7317383 0.1329721), wk = 0.0015026 k( 142) = ( 0.0909091 -0.7317383 0.2908726), wk = 0.0015026 k( 143) = ( 0.0909091 -0.7317383 0.4487731), wk = 0.0015026 k( 144) = ( 0.0909091 -0.7317383 0.6066735), wk = 0.0015026 k( 145) = ( 0.0909091 -0.7317383 -0.9723311), wk = 0.0015026 k( 146) = ( 0.0909091 -0.7317383 -0.8144306), wk = 0.0015026 k( 147) = ( 0.0909091 -0.7317383 -0.6565301), wk = 0.0015026 k( 148) = ( 0.0909091 -0.7317383 -0.4986297), wk = 0.0015026 k( 149) = ( 0.0909091 -0.7317383 -0.3407292), wk = 0.0015026 k( 150) = ( 0.0909091 -0.5765714 -0.1535749), wk = 0.0015026 k( 151) = ( 0.0909091 -0.5765714 0.0043255), wk = 0.0015026 k( 152) = ( 0.0909091 -0.5765714 0.1622260), wk = 0.0015026 k( 153) = ( 0.0909091 -0.5765714 0.3201264), wk = 0.0015026 k( 154) = ( 0.0909091 -0.5765714 0.4780269), wk = 0.0015026 k( 155) = ( 0.0909091 -0.5765714 0.6359274), wk = 0.0015026 k( 156) = ( 0.0909091 -0.5765714 -0.9430772), wk = 0.0015026 k( 157) = ( 0.0909091 -0.5765714 -0.7851768), wk = 0.0015026 k( 158) = ( 0.0909091 -0.5765714 -0.6272763), wk = 0.0015026 k( 159) = ( 0.0909091 -0.5765714 -0.4693758), wk = 0.0015026 k( 160) = ( 0.0909091 -0.5765714 -0.3114754), wk = 0.0015026 k( 161) = ( 0.0909091 -0.4214044 -0.1243211), wk = 0.0015026 k( 162) = ( 0.0909091 -0.4214044 0.0335794), wk = 0.0015026 k( 163) = ( 0.0909091 -0.4214044 0.1914798), wk = 0.0015026 k( 164) = ( 0.0909091 -0.4214044 0.3493803), wk = 0.0015026 k( 165) = ( 0.0909091 -0.4214044 0.5072807), wk = 0.0015026 k( 166) = ( 0.0909091 -0.4214044 0.6651812), wk = 0.0015026 k( 167) = ( 0.0909091 -0.4214044 -0.9138234), wk = 0.0015026 k( 168) = ( 0.0909091 -0.4214044 -0.7559229), wk = 0.0015026 k( 169) = ( 0.0909091 -0.4214044 -0.5980225), wk = 0.0015026 k( 170) = ( 0.0909091 -0.4214044 -0.4401220), wk = 0.0015026 k( 171) = ( 0.0909091 -0.4214044 -0.2822215), wk = 0.0015026 k( 172) = ( 0.0909091 -0.2662375 -0.0950672), wk = 0.0015026 k( 173) = ( 0.0909091 -0.2662375 0.0628332), wk = 0.0015026 k( 174) = ( 0.0909091 -0.2662375 0.2207337), wk = 0.0015026 k( 175) = ( 0.0909091 -0.2662375 0.3786341), wk = 0.0015026 k( 176) = ( 0.0909091 -0.2662375 0.5365346), wk = 0.0015026 k( 177) = ( 0.0909091 -0.2662375 0.6944350), wk = 0.0015026 k( 178) = ( 0.0909091 -0.2662375 -0.8845695), wk = 0.0015026 k( 179) = ( 0.0909091 -0.2662375 -0.7266691), wk = 0.0015026 k( 180) = ( 0.0909091 -0.2662375 -0.5687686), wk = 0.0015026 k( 181) = ( 0.0909091 -0.2662375 -0.4108682), wk = 0.0015026 k( 182) = ( 0.0909091 -0.2662375 -0.2529677), wk = 0.0015026 k( 183) = ( 0.1818182 -0.2221413 -0.1316268), wk = 0.0015026 k( 184) = ( 0.1818182 -0.2221413 0.0262736), wk = 0.0015026 k( 185) = ( 0.1818182 -0.2221413 0.1841741), wk = 0.0015026 k( 186) = ( 0.1818182 -0.2221413 0.3420746), wk = 0.0015026 k( 187) = ( 0.1818182 -0.2221413 0.4999750), wk = 0.0015026 k( 188) = ( 0.1818182 -0.2221413 0.6578755), wk = 0.0015026 k( 189) = ( 0.1818182 -0.2221413 -0.9211291), wk = 0.0015026 k( 190) = ( 0.1818182 -0.2221413 -0.7632287), wk = 0.0015026 k( 191) = ( 0.1818182 -0.2221413 -0.6053282), wk = 0.0015026 k( 192) = ( 0.1818182 -0.2221413 -0.4474277), wk = 0.0015026 k( 193) = ( 0.1818182 -0.2221413 -0.2895273), wk = 0.0015026 k( 194) = ( 0.1818182 -0.0669744 -0.1023730), wk = 0.0015026 k( 195) = ( 0.1818182 -0.0669744 0.0555275), wk = 0.0015026 k( 196) = ( 0.1818182 -0.0669744 0.2134279), wk = 0.0015026 k( 197) = ( 0.1818182 -0.0669744 0.3713284), wk = 0.0015026 k( 198) = ( 0.1818182 -0.0669744 0.5292289), wk = 0.0015026 k( 199) = ( 0.1818182 -0.0669744 0.6871293), wk = 0.0015026 k( 200) = ( 0.1818182 -0.0669744 -0.8918753), wk = 0.0015026 k( 201) = ( 0.1818182 -0.0669744 -0.7339748), wk = 0.0015026 k( 202) = ( 0.1818182 -0.0669744 -0.5760744), wk = 0.0015026 k( 203) = ( 0.1818182 -0.0669744 -0.4181739), wk = 0.0015026 k( 204) = ( 0.1818182 -0.0669744 -0.2602734), wk = 0.0015026 k( 205) = ( 0.1818182 0.0881925 -0.0731191), wk = 0.0015026 k( 206) = ( 0.1818182 0.0881925 0.0847813), wk = 0.0015026 k( 207) = ( 0.1818182 0.0881925 0.2426818), wk = 0.0015026 k( 208) = ( 0.1818182 0.0881925 0.4005822), wk = 0.0015026 k( 209) = ( 0.1818182 0.0881925 0.5584827), wk = 0.0015026 k( 210) = ( 0.1818182 0.0881925 0.7163832), wk = 0.0015026 k( 211) = ( 0.1818182 0.0881925 -0.8626214), wk = 0.0015026 k( 212) = ( 0.1818182 0.0881925 -0.7047210), wk = 0.0015026 k( 213) = ( 0.1818182 0.0881925 -0.5468205), wk = 0.0015026 k( 214) = ( 0.1818182 0.0881925 -0.3889201), wk = 0.0015026 k( 215) = ( 0.1818182 0.0881925 -0.2310196), wk = 0.0015026 k( 216) = ( 0.1818182 0.2433594 -0.0438653), wk = 0.0015026 k( 217) = ( 0.1818182 0.2433594 0.1140352), wk = 0.0015026 k( 218) = ( 0.1818182 0.2433594 0.2719356), wk = 0.0015026 k( 219) = ( 0.1818182 0.2433594 0.4298361), wk = 0.0015026 k( 220) = ( 0.1818182 0.2433594 0.5877365), wk = 0.0015026 k( 221) = ( 0.1818182 0.2433594 0.7456370), wk = 0.0015026 k( 222) = ( 0.1818182 0.2433594 -0.8333676), wk = 0.0015026 k( 223) = ( 0.1818182 0.2433594 -0.6754671), wk = 0.0015026 k( 224) = ( 0.1818182 0.2433594 -0.5175667), wk = 0.0015026 k( 225) = ( 0.1818182 0.2433594 -0.3596662), wk = 0.0015026 k( 226) = ( 0.1818182 0.2433594 -0.2017658), wk = 0.0015026 k( 227) = ( 0.1818182 0.3985263 -0.0146115), wk = 0.0015026 k( 228) = ( 0.1818182 0.3985263 0.1432890), wk = 0.0015026 k( 229) = ( 0.1818182 0.3985263 0.3011895), wk = 0.0015026 k( 230) = ( 0.1818182 0.3985263 0.4590899), wk = 0.0015026 k( 231) = ( 0.1818182 0.3985263 0.6169904), wk = 0.0015026 k( 232) = ( 0.1818182 0.3985263 0.7748908), wk = 0.0015026 k( 233) = ( 0.1818182 0.3985263 -0.8041138), wk = 0.0015026 k( 234) = ( 0.1818182 0.3985263 -0.6462133), wk = 0.0015026 k( 235) = ( 0.1818182 0.3985263 -0.4883128), wk = 0.0015026 k( 236) = ( 0.1818182 0.3985263 -0.3304124), wk = 0.0015026 k( 237) = ( 0.1818182 0.3985263 -0.1725119), wk = 0.0015026 k( 238) = ( 0.1818182 0.5536932 0.0146424), wk = 0.0015026 k( 239) = ( 0.1818182 0.5536932 0.1725428), wk = 0.0015026 k( 240) = ( 0.1818182 0.5536932 0.3304433), wk = 0.0015026 k( 241) = ( 0.1818182 0.5536932 0.4883438), wk = 0.0015026 k( 242) = ( 0.1818182 0.5536932 0.6462442), wk = 0.0015026 k( 243) = ( 0.1818182 0.5536932 0.8041447), wk = 0.0015026 k( 244) = ( 0.1818182 0.5536932 -0.7748599), wk = 0.0015026 k( 245) = ( 0.1818182 0.5536932 -0.6169595), wk = 0.0015026 k( 246) = ( 0.1818182 0.5536932 -0.4590590), wk = 0.0015026 k( 247) = ( 0.1818182 0.5536932 -0.3011585), wk = 0.0015026 k( 248) = ( 0.1818182 0.5536932 -0.1432581), wk = 0.0015026 k( 249) = ( 0.1818182 -0.9979758 -0.2778960), wk = 0.0015026 k( 250) = ( 0.1818182 -0.9979758 -0.1199956), wk = 0.0015026 k( 251) = ( 0.1818182 -0.9979758 0.0379049), wk = 0.0015026 k( 252) = ( 0.1818182 -0.9979758 0.1958054), wk = 0.0015026 k( 253) = ( 0.1818182 -0.9979758 0.3537058), wk = 0.0015026 k( 254) = ( 0.1818182 -0.9979758 0.5116063), wk = 0.0015026 k( 255) = ( 0.1818182 -0.9979758 -1.0673983), wk = 0.0015026 k( 256) = ( 0.1818182 -0.9979758 -0.9094979), wk = 0.0015026 k( 257) = ( 0.1818182 -0.9979758 -0.7515974), wk = 0.0015026 k( 258) = ( 0.1818182 -0.9979758 -0.5936969), wk = 0.0015026 k( 259) = ( 0.1818182 -0.9979758 -0.4357965), wk = 0.0015026 k( 260) = ( 0.1818182 -0.8428089 -0.2486422), wk = 0.0015026 k( 261) = ( 0.1818182 -0.8428089 -0.0907417), wk = 0.0015026 k( 262) = ( 0.1818182 -0.8428089 0.0671587), wk = 0.0015026 k( 263) = ( 0.1818182 -0.8428089 0.2250592), wk = 0.0015026 k( 264) = ( 0.1818182 -0.8428089 0.3829597), wk = 0.0015026 k( 265) = ( 0.1818182 -0.8428089 0.5408601), wk = 0.0015026 k( 266) = ( 0.1818182 -0.8428089 -1.0381445), wk = 0.0015026 k( 267) = ( 0.1818182 -0.8428089 -0.8802440), wk = 0.0015026 k( 268) = ( 0.1818182 -0.8428089 -0.7223436), wk = 0.0015026 k( 269) = ( 0.1818182 -0.8428089 -0.5644431), wk = 0.0015026 k( 270) = ( 0.1818182 -0.8428089 -0.4065426), wk = 0.0015026 k( 271) = ( 0.1818182 -0.6876420 -0.2193883), wk = 0.0015026 k( 272) = ( 0.1818182 -0.6876420 -0.0614879), wk = 0.0015026 k( 273) = ( 0.1818182 -0.6876420 0.0964126), wk = 0.0015026 k( 274) = ( 0.1818182 -0.6876420 0.2543130), wk = 0.0015026 k( 275) = ( 0.1818182 -0.6876420 0.4122135), wk = 0.0015026 k( 276) = ( 0.1818182 -0.6876420 0.5701140), wk = 0.0015026 k( 277) = ( 0.1818182 -0.6876420 -1.0088906), wk = 0.0015026 k( 278) = ( 0.1818182 -0.6876420 -0.8509902), wk = 0.0015026 k( 279) = ( 0.1818182 -0.6876420 -0.6930897), wk = 0.0015026 k( 280) = ( 0.1818182 -0.6876420 -0.5351893), wk = 0.0015026 k( 281) = ( 0.1818182 -0.6876420 -0.3772888), wk = 0.0015026 k( 282) = ( 0.1818182 -0.5324751 -0.1901345), wk = 0.0015026 k( 283) = ( 0.1818182 -0.5324751 -0.0322340), wk = 0.0015026 k( 284) = ( 0.1818182 -0.5324751 0.1256664), wk = 0.0015026 k( 285) = ( 0.1818182 -0.5324751 0.2835669), wk = 0.0015026 k( 286) = ( 0.1818182 -0.5324751 0.4414673), wk = 0.0015026 k( 287) = ( 0.1818182 -0.5324751 0.5993678), wk = 0.0015026 k( 288) = ( 0.1818182 -0.5324751 -0.9796368), wk = 0.0015026 k( 289) = ( 0.1818182 -0.5324751 -0.8217363), wk = 0.0015026 k( 290) = ( 0.1818182 -0.5324751 -0.6638359), wk = 0.0015026 k( 291) = ( 0.1818182 -0.5324751 -0.5059354), wk = 0.0015026 k( 292) = ( 0.1818182 -0.5324751 -0.3480350), wk = 0.0015026 k( 293) = ( 0.1818182 -0.3773082 -0.1608807), wk = 0.0015026 k( 294) = ( 0.1818182 -0.3773082 -0.0029802), wk = 0.0015026 k( 295) = ( 0.1818182 -0.3773082 0.1549203), wk = 0.0015026 k( 296) = ( 0.1818182 -0.3773082 0.3128207), wk = 0.0015026 k( 297) = ( 0.1818182 -0.3773082 0.4707212), wk = 0.0015026 k( 298) = ( 0.1818182 -0.3773082 0.6286216), wk = 0.0015026 k( 299) = ( 0.1818182 -0.3773082 -0.9503830), wk = 0.0015026 k( 300) = ( 0.1818182 -0.3773082 -0.7924825), wk = 0.0015026 k( 301) = ( 0.1818182 -0.3773082 -0.6345820), wk = 0.0015026 k( 302) = ( 0.1818182 -0.3773082 -0.4766816), wk = 0.0015026 k( 303) = ( 0.1818182 -0.3773082 -0.3187811), wk = 0.0015026 k( 304) = ( 0.2727273 -0.3332119 -0.1974402), wk = 0.0015026 k( 305) = ( 0.2727273 -0.3332119 -0.0395398), wk = 0.0015026 k( 306) = ( 0.2727273 -0.3332119 0.1183607), wk = 0.0015026 k( 307) = ( 0.2727273 -0.3332119 0.2762612), wk = 0.0015026 k( 308) = ( 0.2727273 -0.3332119 0.4341616), wk = 0.0015026 k( 309) = ( 0.2727273 -0.3332119 0.5920621), wk = 0.0015026 k( 310) = ( 0.2727273 -0.3332119 -0.9869425), wk = 0.0015026 k( 311) = ( 0.2727273 -0.3332119 -0.8290421), wk = 0.0015026 k( 312) = ( 0.2727273 -0.3332119 -0.6711416), wk = 0.0015026 k( 313) = ( 0.2727273 -0.3332119 -0.5132411), wk = 0.0015026 k( 314) = ( 0.2727273 -0.3332119 -0.3553407), wk = 0.0015026 k( 315) = ( 0.2727273 -0.1780450 -0.1681864), wk = 0.0015026 k( 316) = ( 0.2727273 -0.1780450 -0.0102859), wk = 0.0015026 k( 317) = ( 0.2727273 -0.1780450 0.1476145), wk = 0.0015026 k( 318) = ( 0.2727273 -0.1780450 0.3055150), wk = 0.0015026 k( 319) = ( 0.2727273 -0.1780450 0.4634155), wk = 0.0015026 k( 320) = ( 0.2727273 -0.1780450 0.6213159), wk = 0.0015026 k( 321) = ( 0.2727273 -0.1780450 -0.9576887), wk = 0.0015026 k( 322) = ( 0.2727273 -0.1780450 -0.7997882), wk = 0.0015026 k( 323) = ( 0.2727273 -0.1780450 -0.6418878), wk = 0.0015026 k( 324) = ( 0.2727273 -0.1780450 -0.4839873), wk = 0.0015026 k( 325) = ( 0.2727273 -0.1780450 -0.3260868), wk = 0.0015026 k( 326) = ( 0.2727273 -0.0228781 -0.1389325), wk = 0.0015026 k( 327) = ( 0.2727273 -0.0228781 0.0189679), wk = 0.0015026 k( 328) = ( 0.2727273 -0.0228781 0.1768684), wk = 0.0015026 k( 329) = ( 0.2727273 -0.0228781 0.3347688), wk = 0.0015026 k( 330) = ( 0.2727273 -0.0228781 0.4926693), wk = 0.0015026 k( 331) = ( 0.2727273 -0.0228781 0.6505698), wk = 0.0015026 k( 332) = ( 0.2727273 -0.0228781 -0.9284348), wk = 0.0015026 k( 333) = ( 0.2727273 -0.0228781 -0.7705344), wk = 0.0015026 k( 334) = ( 0.2727273 -0.0228781 -0.6126339), wk = 0.0015026 k( 335) = ( 0.2727273 -0.0228781 -0.4547335), wk = 0.0015026 k( 336) = ( 0.2727273 -0.0228781 -0.2968330), wk = 0.0015026 k( 337) = ( 0.2727273 0.1322888 -0.1096787), wk = 0.0015026 k( 338) = ( 0.2727273 0.1322888 0.0482218), wk = 0.0015026 k( 339) = ( 0.2727273 0.1322888 0.2061222), wk = 0.0015026 k( 340) = ( 0.2727273 0.1322888 0.3640227), wk = 0.0015026 k( 341) = ( 0.2727273 0.1322888 0.5219231), wk = 0.0015026 k( 342) = ( 0.2727273 0.1322888 0.6798236), wk = 0.0015026 k( 343) = ( 0.2727273 0.1322888 -0.8991810), wk = 0.0015026 k( 344) = ( 0.2727273 0.1322888 -0.7412805), wk = 0.0015026 k( 345) = ( 0.2727273 0.1322888 -0.5833801), wk = 0.0015026 k( 346) = ( 0.2727273 0.1322888 -0.4254796), wk = 0.0015026 k( 347) = ( 0.2727273 0.1322888 -0.2675792), wk = 0.0015026 k( 348) = ( 0.2727273 0.2874557 -0.0804249), wk = 0.0015026 k( 349) = ( 0.2727273 0.2874557 0.0774756), wk = 0.0015026 k( 350) = ( 0.2727273 0.2874557 0.2353761), wk = 0.0015026 k( 351) = ( 0.2727273 0.2874557 0.3932765), wk = 0.0015026 k( 352) = ( 0.2727273 0.2874557 0.5511770), wk = 0.0015026 k( 353) = ( 0.2727273 0.2874557 0.7090774), wk = 0.0015026 k( 354) = ( 0.2727273 0.2874557 -0.8699272), wk = 0.0015026 k( 355) = ( 0.2727273 0.2874557 -0.7120267), wk = 0.0015026 k( 356) = ( 0.2727273 0.2874557 -0.5541262), wk = 0.0015026 k( 357) = ( 0.2727273 0.2874557 -0.3962258), wk = 0.0015026 k( 358) = ( 0.2727273 0.2874557 -0.2383253), wk = 0.0015026 k( 359) = ( 0.2727273 0.4426226 -0.0511710), wk = 0.0015026 k( 360) = ( 0.2727273 0.4426226 0.1067294), wk = 0.0015026 k( 361) = ( 0.2727273 0.4426226 0.2646299), wk = 0.0015026 k( 362) = ( 0.2727273 0.4426226 0.4225304), wk = 0.0015026 k( 363) = ( 0.2727273 0.4426226 0.5804308), wk = 0.0015026 k( 364) = ( 0.2727273 0.4426226 0.7383313), wk = 0.0015026 k( 365) = ( 0.2727273 0.4426226 -0.8406733), wk = 0.0015026 k( 366) = ( 0.2727273 0.4426226 -0.6827729), wk = 0.0015026 k( 367) = ( 0.2727273 0.4426226 -0.5248724), wk = 0.0015026 k( 368) = ( 0.2727273 0.4426226 -0.3669719), wk = 0.0015026 k( 369) = ( 0.2727273 0.4426226 -0.2090715), wk = 0.0015026 k( 370) = ( 0.2727273 -1.1090464 -0.3437094), wk = 0.0015026 k( 371) = ( 0.2727273 -1.1090464 -0.1858090), wk = 0.0015026 k( 372) = ( 0.2727273 -1.1090464 -0.0279085), wk = 0.0015026 k( 373) = ( 0.2727273 -1.1090464 0.1299920), wk = 0.0015026 k( 374) = ( 0.2727273 -1.1090464 0.2878924), wk = 0.0015026 k( 375) = ( 0.2727273 -1.1090464 0.4457929), wk = 0.0015026 k( 376) = ( 0.2727273 -1.1090464 -1.1332117), wk = 0.0015026 k( 377) = ( 0.2727273 -1.1090464 -0.9753113), wk = 0.0015026 k( 378) = ( 0.2727273 -1.1090464 -0.8174108), wk = 0.0015026 k( 379) = ( 0.2727273 -1.1090464 -0.6595103), wk = 0.0015026 k( 380) = ( 0.2727273 -1.1090464 -0.5016099), wk = 0.0015026 k( 381) = ( 0.2727273 -0.9538795 -0.3144556), wk = 0.0015026 k( 382) = ( 0.2727273 -0.9538795 -0.1565551), wk = 0.0015026 k( 383) = ( 0.2727273 -0.9538795 0.0013453), wk = 0.0015026 k( 384) = ( 0.2727273 -0.9538795 0.1592458), wk = 0.0015026 k( 385) = ( 0.2727273 -0.9538795 0.3171463), wk = 0.0015026 k( 386) = ( 0.2727273 -0.9538795 0.4750467), wk = 0.0015026 k( 387) = ( 0.2727273 -0.9538795 -1.1039579), wk = 0.0015026 k( 388) = ( 0.2727273 -0.9538795 -0.9460574), wk = 0.0015026 k( 389) = ( 0.2727273 -0.9538795 -0.7881570), wk = 0.0015026 k( 390) = ( 0.2727273 -0.9538795 -0.6302565), wk = 0.0015026 k( 391) = ( 0.2727273 -0.9538795 -0.4723560), wk = 0.0015026 k( 392) = ( 0.2727273 -0.7987126 -0.2852017), wk = 0.0015026 k( 393) = ( 0.2727273 -0.7987126 -0.1273013), wk = 0.0015026 k( 394) = ( 0.2727273 -0.7987126 0.0305992), wk = 0.0015026 k( 395) = ( 0.2727273 -0.7987126 0.1884996), wk = 0.0015026 k( 396) = ( 0.2727273 -0.7987126 0.3464001), wk = 0.0015026 k( 397) = ( 0.2727273 -0.7987126 0.5043006), wk = 0.0015026 k( 398) = ( 0.2727273 -0.7987126 -1.0747040), wk = 0.0015026 k( 399) = ( 0.2727273 -0.7987126 -0.9168036), wk = 0.0015026 k( 400) = ( 0.2727273 -0.7987126 -0.7589031), wk = 0.0015026 k( 401) = ( 0.2727273 -0.7987126 -0.6010027), wk = 0.0015026 k( 402) = ( 0.2727273 -0.7987126 -0.4431022), wk = 0.0015026 k( 403) = ( 0.2727273 -0.6435457 -0.2559479), wk = 0.0015026 k( 404) = ( 0.2727273 -0.6435457 -0.0980474), wk = 0.0015026 k( 405) = ( 0.2727273 -0.6435457 0.0598530), wk = 0.0015026 k( 406) = ( 0.2727273 -0.6435457 0.2177535), wk = 0.0015026 k( 407) = ( 0.2727273 -0.6435457 0.3756539), wk = 0.0015026 k( 408) = ( 0.2727273 -0.6435457 0.5335544), wk = 0.0015026 k( 409) = ( 0.2727273 -0.6435457 -1.0454502), wk = 0.0015026 k( 410) = ( 0.2727273 -0.6435457 -0.8875497), wk = 0.0015026 k( 411) = ( 0.2727273 -0.6435457 -0.7296493), wk = 0.0015026 k( 412) = ( 0.2727273 -0.6435457 -0.5717488), wk = 0.0015026 k( 413) = ( 0.2727273 -0.6435457 -0.4138484), wk = 0.0015026 k( 414) = ( 0.2727273 -0.4883788 -0.2266941), wk = 0.0015026 k( 415) = ( 0.2727273 -0.4883788 -0.0687936), wk = 0.0015026 k( 416) = ( 0.2727273 -0.4883788 0.0891069), wk = 0.0015026 k( 417) = ( 0.2727273 -0.4883788 0.2470073), wk = 0.0015026 k( 418) = ( 0.2727273 -0.4883788 0.4049078), wk = 0.0015026 k( 419) = ( 0.2727273 -0.4883788 0.5628082), wk = 0.0015026 k( 420) = ( 0.2727273 -0.4883788 -1.0161964), wk = 0.0015026 k( 421) = ( 0.2727273 -0.4883788 -0.8582959), wk = 0.0015026 k( 422) = ( 0.2727273 -0.4883788 -0.7003954), wk = 0.0015026 k( 423) = ( 0.2727273 -0.4883788 -0.5424950), wk = 0.0015026 k( 424) = ( 0.2727273 -0.4883788 -0.3845945), wk = 0.0015026 k( 425) = ( 0.3636364 -0.4442826 -0.2632536), wk = 0.0015026 k( 426) = ( 0.3636364 -0.4442826 -0.1053532), wk = 0.0015026 k( 427) = ( 0.3636364 -0.4442826 0.0525473), wk = 0.0015026 k( 428) = ( 0.3636364 -0.4442826 0.2104477), wk = 0.0015026 k( 429) = ( 0.3636364 -0.4442826 0.3683482), wk = 0.0015026 k( 430) = ( 0.3636364 -0.4442826 0.5262487), wk = 0.0015026 k( 431) = ( 0.3636364 -0.4442826 -1.0527559), wk = 0.0015026 k( 432) = ( 0.3636364 -0.4442826 -0.8948555), wk = 0.0015026 k( 433) = ( 0.3636364 -0.4442826 -0.7369550), wk = 0.0015026 k( 434) = ( 0.3636364 -0.4442826 -0.5790546), wk = 0.0015026 k( 435) = ( 0.3636364 -0.4442826 -0.4211541), wk = 0.0015026 k( 436) = ( 0.3636364 -0.2891157 -0.2339998), wk = 0.0015026 k( 437) = ( 0.3636364 -0.2891157 -0.0760993), wk = 0.0015026 k( 438) = ( 0.3636364 -0.2891157 0.0818011), wk = 0.0015026 k( 439) = ( 0.3636364 -0.2891157 0.2397016), wk = 0.0015026 k( 440) = ( 0.3636364 -0.2891157 0.3976020), wk = 0.0015026 k( 441) = ( 0.3636364 -0.2891157 0.5555025), wk = 0.0015026 k( 442) = ( 0.3636364 -0.2891157 -1.0235021), wk = 0.0015026 k( 443) = ( 0.3636364 -0.2891157 -0.8656016), wk = 0.0015026 k( 444) = ( 0.3636364 -0.2891157 -0.7077012), wk = 0.0015026 k( 445) = ( 0.3636364 -0.2891157 -0.5498007), wk = 0.0015026 k( 446) = ( 0.3636364 -0.2891157 -0.3919003), wk = 0.0015026 k( 447) = ( 0.3636364 -0.1339488 -0.2047460), wk = 0.0015026 k( 448) = ( 0.3636364 -0.1339488 -0.0468455), wk = 0.0015026 k( 449) = ( 0.3636364 -0.1339488 0.1110550), wk = 0.0015026 k( 450) = ( 0.3636364 -0.1339488 0.2689554), wk = 0.0015026 k( 451) = ( 0.3636364 -0.1339488 0.4268559), wk = 0.0015026 k( 452) = ( 0.3636364 -0.1339488 0.5847563), wk = 0.0015026 k( 453) = ( 0.3636364 -0.1339488 -0.9942482), wk = 0.0015026 k( 454) = ( 0.3636364 -0.1339488 -0.8363478), wk = 0.0015026 k( 455) = ( 0.3636364 -0.1339488 -0.6784473), wk = 0.0015026 k( 456) = ( 0.3636364 -0.1339488 -0.5205469), wk = 0.0015026 k( 457) = ( 0.3636364 -0.1339488 -0.3626464), wk = 0.0015026 k( 458) = ( 0.3636364 0.0212181 -0.1754921), wk = 0.0015026 k( 459) = ( 0.3636364 0.0212181 -0.0175917), wk = 0.0015026 k( 460) = ( 0.3636364 0.0212181 0.1403088), wk = 0.0015026 k( 461) = ( 0.3636364 0.0212181 0.2982093), wk = 0.0015026 k( 462) = ( 0.3636364 0.0212181 0.4561097), wk = 0.0015026 k( 463) = ( 0.3636364 0.0212181 0.6140102), wk = 0.0015026 k( 464) = ( 0.3636364 0.0212181 -0.9649944), wk = 0.0015026 k( 465) = ( 0.3636364 0.0212181 -0.8070939), wk = 0.0015026 k( 466) = ( 0.3636364 0.0212181 -0.6491935), wk = 0.0015026 k( 467) = ( 0.3636364 0.0212181 -0.4912930), wk = 0.0015026 k( 468) = ( 0.3636364 0.0212181 -0.3333926), wk = 0.0015026 k( 469) = ( 0.3636364 0.1763850 -0.1462383), wk = 0.0015026 k( 470) = ( 0.3636364 0.1763850 0.0116622), wk = 0.0015026 k( 471) = ( 0.3636364 0.1763850 0.1695626), wk = 0.0015026 k( 472) = ( 0.3636364 0.1763850 0.3274631), wk = 0.0015026 k( 473) = ( 0.3636364 0.1763850 0.4853636), wk = 0.0015026 k( 474) = ( 0.3636364 0.1763850 0.6432640), wk = 0.0015026 k( 475) = ( 0.3636364 0.1763850 -0.9357406), wk = 0.0015026 k( 476) = ( 0.3636364 0.1763850 -0.7778401), wk = 0.0015026 k( 477) = ( 0.3636364 0.1763850 -0.6199396), wk = 0.0015026 k( 478) = ( 0.3636364 0.1763850 -0.4620392), wk = 0.0015026 k( 479) = ( 0.3636364 0.1763850 -0.3041387), wk = 0.0015026 k( 480) = ( 0.3636364 0.3315519 -0.1169844), wk = 0.0015026 k( 481) = ( 0.3636364 0.3315519 0.0409160), wk = 0.0015026 k( 482) = ( 0.3636364 0.3315519 0.1988165), wk = 0.0015026 k( 483) = ( 0.3636364 0.3315519 0.3567169), wk = 0.0015026 k( 484) = ( 0.3636364 0.3315519 0.5146174), wk = 0.0015026 k( 485) = ( 0.3636364 0.3315519 0.6725179), wk = 0.0015026 k( 486) = ( 0.3636364 0.3315519 -0.9064867), wk = 0.0015026 k( 487) = ( 0.3636364 0.3315519 -0.7485863), wk = 0.0015026 k( 488) = ( 0.3636364 0.3315519 -0.5906858), wk = 0.0015026 k( 489) = ( 0.3636364 0.3315519 -0.4327853), wk = 0.0015026 k( 490) = ( 0.3636364 0.3315519 -0.2748849), wk = 0.0015026 k( 491) = ( 0.3636364 -1.2201171 -0.4095228), wk = 0.0015026 k( 492) = ( 0.3636364 -1.2201171 -0.2516224), wk = 0.0015026 k( 493) = ( 0.3636364 -1.2201171 -0.0937219), wk = 0.0015026 k( 494) = ( 0.3636364 -1.2201171 0.0641785), wk = 0.0015026 k( 495) = ( 0.3636364 -1.2201171 0.2220790), wk = 0.0015026 k( 496) = ( 0.3636364 -1.2201171 0.3799795), wk = 0.0015026 k( 497) = ( 0.3636364 -1.2201171 -1.1990251), wk = 0.0015026 k( 498) = ( 0.3636364 -1.2201171 -1.0411247), wk = 0.0015026 k( 499) = ( 0.3636364 -1.2201171 -0.8832242), wk = 0.0015026 k( 500) = ( 0.3636364 -1.2201171 -0.7253238), wk = 0.0015026 k( 501) = ( 0.3636364 -1.2201171 -0.5674233), wk = 0.0015026 k( 502) = ( 0.3636364 -1.0649502 -0.3802690), wk = 0.0015026 k( 503) = ( 0.3636364 -1.0649502 -0.2223685), wk = 0.0015026 k( 504) = ( 0.3636364 -1.0649502 -0.0644681), wk = 0.0015026 k( 505) = ( 0.3636364 -1.0649502 0.0934324), wk = 0.0015026 k( 506) = ( 0.3636364 -1.0649502 0.2513328), wk = 0.0015026 k( 507) = ( 0.3636364 -1.0649502 0.4092333), wk = 0.0015026 k( 508) = ( 0.3636364 -1.0649502 -1.1697713), wk = 0.0015026 k( 509) = ( 0.3636364 -1.0649502 -1.0118708), wk = 0.0015026 k( 510) = ( 0.3636364 -1.0649502 -0.8539704), wk = 0.0015026 k( 511) = ( 0.3636364 -1.0649502 -0.6960699), wk = 0.0015026 k( 512) = ( 0.3636364 -1.0649502 -0.5381695), wk = 0.0015026 k( 513) = ( 0.3636364 -0.9097833 -0.3510152), wk = 0.0015026 k( 514) = ( 0.3636364 -0.9097833 -0.1931147), wk = 0.0015026 k( 515) = ( 0.3636364 -0.9097833 -0.0352142), wk = 0.0015026 k( 516) = ( 0.3636364 -0.9097833 0.1226862), wk = 0.0015026 k( 517) = ( 0.3636364 -0.9097833 0.2805867), wk = 0.0015026 k( 518) = ( 0.3636364 -0.9097833 0.4384871), wk = 0.0015026 k( 519) = ( 0.3636364 -0.9097833 -1.1405175), wk = 0.0015026 k( 520) = ( 0.3636364 -0.9097833 -0.9826170), wk = 0.0015026 k( 521) = ( 0.3636364 -0.9097833 -0.8247165), wk = 0.0015026 k( 522) = ( 0.3636364 -0.9097833 -0.6668161), wk = 0.0015026 k( 523) = ( 0.3636364 -0.9097833 -0.5089156), wk = 0.0015026 k( 524) = ( 0.3636364 -0.7546164 -0.3217613), wk = 0.0015026 k( 525) = ( 0.3636364 -0.7546164 -0.1638609), wk = 0.0015026 k( 526) = ( 0.3636364 -0.7546164 -0.0059604), wk = 0.0015026 k( 527) = ( 0.3636364 -0.7546164 0.1519401), wk = 0.0015026 k( 528) = ( 0.3636364 -0.7546164 0.3098405), wk = 0.0015026 k( 529) = ( 0.3636364 -0.7546164 0.4677410), wk = 0.0015026 k( 530) = ( 0.3636364 -0.7546164 -1.1112636), wk = 0.0015026 k( 531) = ( 0.3636364 -0.7546164 -0.9533632), wk = 0.0015026 k( 532) = ( 0.3636364 -0.7546164 -0.7954627), wk = 0.0015026 k( 533) = ( 0.3636364 -0.7546164 -0.6375622), wk = 0.0015026 k( 534) = ( 0.3636364 -0.7546164 -0.4796618), wk = 0.0015026 k( 535) = ( 0.3636364 -0.5994495 -0.2925075), wk = 0.0015026 k( 536) = ( 0.3636364 -0.5994495 -0.1346070), wk = 0.0015026 k( 537) = ( 0.3636364 -0.5994495 0.0232934), wk = 0.0015026 k( 538) = ( 0.3636364 -0.5994495 0.1811939), wk = 0.0015026 k( 539) = ( 0.3636364 -0.5994495 0.3390944), wk = 0.0015026 k( 540) = ( 0.3636364 -0.5994495 0.4969948), wk = 0.0015026 k( 541) = ( 0.3636364 -0.5994495 -1.0820098), wk = 0.0015026 k( 542) = ( 0.3636364 -0.5994495 -0.9241093), wk = 0.0015026 k( 543) = ( 0.3636364 -0.5994495 -0.7662089), wk = 0.0015026 k( 544) = ( 0.3636364 -0.5994495 -0.6083084), wk = 0.0015026 k( 545) = ( 0.3636364 -0.5994495 -0.4504079), wk = 0.0015026 k( 546) = ( 0.4545455 -0.5553532 -0.3290670), wk = 0.0015026 k( 547) = ( 0.4545455 -0.5553532 -0.1711666), wk = 0.0015026 k( 548) = ( 0.4545455 -0.5553532 -0.0132661), wk = 0.0015026 k( 549) = ( 0.4545455 -0.5553532 0.1446343), wk = 0.0015026 k( 550) = ( 0.4545455 -0.5553532 0.3025348), wk = 0.0015026 k( 551) = ( 0.4545455 -0.5553532 0.4604353), wk = 0.0015026 k( 552) = ( 0.4545455 -0.5553532 -1.1185693), wk = 0.0015026 k( 553) = ( 0.4545455 -0.5553532 -0.9606689), wk = 0.0015026 k( 554) = ( 0.4545455 -0.5553532 -0.8027684), wk = 0.0015026 k( 555) = ( 0.4545455 -0.5553532 -0.6448680), wk = 0.0015026 k( 556) = ( 0.4545455 -0.5553532 -0.4869675), wk = 0.0015026 k( 557) = ( 0.4545455 -0.4001863 -0.2998132), wk = 0.0015026 k( 558) = ( 0.4545455 -0.4001863 -0.1419127), wk = 0.0015026 k( 559) = ( 0.4545455 -0.4001863 0.0159877), wk = 0.0015026 k( 560) = ( 0.4545455 -0.4001863 0.1738882), wk = 0.0015026 k( 561) = ( 0.4545455 -0.4001863 0.3317886), wk = 0.0015026 k( 562) = ( 0.4545455 -0.4001863 0.4896891), wk = 0.0015026 k( 563) = ( 0.4545455 -0.4001863 -1.0893155), wk = 0.0015026 k( 564) = ( 0.4545455 -0.4001863 -0.9314150), wk = 0.0015026 k( 565) = ( 0.4545455 -0.4001863 -0.7735146), wk = 0.0015026 k( 566) = ( 0.4545455 -0.4001863 -0.6156141), wk = 0.0015026 k( 567) = ( 0.4545455 -0.4001863 -0.4577137), wk = 0.0015026 k( 568) = ( 0.4545455 -0.2450194 -0.2705594), wk = 0.0015026 k( 569) = ( 0.4545455 -0.2450194 -0.1126589), wk = 0.0015026 k( 570) = ( 0.4545455 -0.2450194 0.0452416), wk = 0.0015026 k( 571) = ( 0.4545455 -0.2450194 0.2031420), wk = 0.0015026 k( 572) = ( 0.4545455 -0.2450194 0.3610425), wk = 0.0015026 k( 573) = ( 0.4545455 -0.2450194 0.5189429), wk = 0.0015026 k( 574) = ( 0.4545455 -0.2450194 -1.0600617), wk = 0.0015026 k( 575) = ( 0.4545455 -0.2450194 -0.9021612), wk = 0.0015026 k( 576) = ( 0.4545455 -0.2450194 -0.7442607), wk = 0.0015026 k( 577) = ( 0.4545455 -0.2450194 -0.5863603), wk = 0.0015026 k( 578) = ( 0.4545455 -0.2450194 -0.4284598), wk = 0.0015026 k( 579) = ( 0.4545455 -0.0898525 -0.2413055), wk = 0.0015026 k( 580) = ( 0.4545455 -0.0898525 -0.0834051), wk = 0.0015026 k( 581) = ( 0.4545455 -0.0898525 0.0744954), wk = 0.0015026 k( 582) = ( 0.4545455 -0.0898525 0.2323959), wk = 0.0015026 k( 583) = ( 0.4545455 -0.0898525 0.3902963), wk = 0.0015026 k( 584) = ( 0.4545455 -0.0898525 0.5481968), wk = 0.0015026 k( 585) = ( 0.4545455 -0.0898525 -1.0308078), wk = 0.0015026 k( 586) = ( 0.4545455 -0.0898525 -0.8729074), wk = 0.0015026 k( 587) = ( 0.4545455 -0.0898525 -0.7150069), wk = 0.0015026 k( 588) = ( 0.4545455 -0.0898525 -0.5571064), wk = 0.0015026 k( 589) = ( 0.4545455 -0.0898525 -0.3992060), wk = 0.0015026 k( 590) = ( 0.4545455 0.0653144 -0.2120517), wk = 0.0015026 k( 591) = ( 0.4545455 0.0653144 -0.0541512), wk = 0.0015026 k( 592) = ( 0.4545455 0.0653144 0.1037492), wk = 0.0015026 k( 593) = ( 0.4545455 0.0653144 0.2616497), wk = 0.0015026 k( 594) = ( 0.4545455 0.0653144 0.4195502), wk = 0.0015026 k( 595) = ( 0.4545455 0.0653144 0.5774506), wk = 0.0015026 k( 596) = ( 0.4545455 0.0653144 -1.0015540), wk = 0.0015026 k( 597) = ( 0.4545455 0.0653144 -0.8436535), wk = 0.0015026 k( 598) = ( 0.4545455 0.0653144 -0.6857531), wk = 0.0015026 k( 599) = ( 0.4545455 0.0653144 -0.5278526), wk = 0.0015026 k( 600) = ( 0.4545455 0.0653144 -0.3699521), wk = 0.0015026 k( 601) = ( 0.4545455 0.2204813 -0.1827978), wk = 0.0015026 k( 602) = ( 0.4545455 0.2204813 -0.0248974), wk = 0.0015026 k( 603) = ( 0.4545455 0.2204813 0.1330031), wk = 0.0015026 k( 604) = ( 0.4545455 0.2204813 0.2909035), wk = 0.0015026 k( 605) = ( 0.4545455 0.2204813 0.4488040), wk = 0.0015026 k( 606) = ( 0.4545455 0.2204813 0.6067045), wk = 0.0015026 k( 607) = ( 0.4545455 0.2204813 -0.9723001), wk = 0.0015026 k( 608) = ( 0.4545455 0.2204813 -0.8143997), wk = 0.0015026 k( 609) = ( 0.4545455 0.2204813 -0.6564992), wk = 0.0015026 k( 610) = ( 0.4545455 0.2204813 -0.4985988), wk = 0.0015026 k( 611) = ( 0.4545455 0.2204813 -0.3406983), wk = 0.0015026 k( 612) = ( 0.4545455 -1.3311877 -0.4753362), wk = 0.0015026 k( 613) = ( 0.4545455 -1.3311877 -0.3174358), wk = 0.0015026 k( 614) = ( 0.4545455 -1.3311877 -0.1595353), wk = 0.0015026 k( 615) = ( 0.4545455 -1.3311877 -0.0016349), wk = 0.0015026 k( 616) = ( 0.4545455 -1.3311877 0.1562656), wk = 0.0015026 k( 617) = ( 0.4545455 -1.3311877 0.3141661), wk = 0.0015026 k( 618) = ( 0.4545455 -1.3311877 -1.2648385), wk = 0.0015026 k( 619) = ( 0.4545455 -1.3311877 -1.1069381), wk = 0.0015026 k( 620) = ( 0.4545455 -1.3311877 -0.9490376), wk = 0.0015026 k( 621) = ( 0.4545455 -1.3311877 -0.7911372), wk = 0.0015026 k( 622) = ( 0.4545455 -1.3311877 -0.6332367), wk = 0.0015026 k( 623) = ( 0.4545455 -1.1760208 -0.4460824), wk = 0.0015026 k( 624) = ( 0.4545455 -1.1760208 -0.2881819), wk = 0.0015026 k( 625) = ( 0.4545455 -1.1760208 -0.1302815), wk = 0.0015026 k( 626) = ( 0.4545455 -1.1760208 0.0276190), wk = 0.0015026 k( 627) = ( 0.4545455 -1.1760208 0.1855194), wk = 0.0015026 k( 628) = ( 0.4545455 -1.1760208 0.3434199), wk = 0.0015026 k( 629) = ( 0.4545455 -1.1760208 -1.2355847), wk = 0.0015026 k( 630) = ( 0.4545455 -1.1760208 -1.0776842), wk = 0.0015026 k( 631) = ( 0.4545455 -1.1760208 -0.9197838), wk = 0.0015026 k( 632) = ( 0.4545455 -1.1760208 -0.7618833), wk = 0.0015026 k( 633) = ( 0.4545455 -1.1760208 -0.6039829), wk = 0.0015026 k( 634) = ( 0.4545455 -1.0208539 -0.4168286), wk = 0.0015026 k( 635) = ( 0.4545455 -1.0208539 -0.2589281), wk = 0.0015026 k( 636) = ( 0.4545455 -1.0208539 -0.1010276), wk = 0.0015026 k( 637) = ( 0.4545455 -1.0208539 0.0568728), wk = 0.0015026 k( 638) = ( 0.4545455 -1.0208539 0.2147733), wk = 0.0015026 k( 639) = ( 0.4545455 -1.0208539 0.3726737), wk = 0.0015026 k( 640) = ( 0.4545455 -1.0208539 -1.2063309), wk = 0.0015026 k( 641) = ( 0.4545455 -1.0208539 -1.0484304), wk = 0.0015026 k( 642) = ( 0.4545455 -1.0208539 -0.8905299), wk = 0.0015026 k( 643) = ( 0.4545455 -1.0208539 -0.7326295), wk = 0.0015026 k( 644) = ( 0.4545455 -1.0208539 -0.5747290), wk = 0.0015026 k( 645) = ( 0.4545455 -0.8656870 -0.3875747), wk = 0.0015026 k( 646) = ( 0.4545455 -0.8656870 -0.2296743), wk = 0.0015026 k( 647) = ( 0.4545455 -0.8656870 -0.0717738), wk = 0.0015026 k( 648) = ( 0.4545455 -0.8656870 0.0861267), wk = 0.0015026 k( 649) = ( 0.4545455 -0.8656870 0.2440271), wk = 0.0015026 k( 650) = ( 0.4545455 -0.8656870 0.4019276), wk = 0.0015026 k( 651) = ( 0.4545455 -0.8656870 -1.1770770), wk = 0.0015026 k( 652) = ( 0.4545455 -0.8656870 -1.0191766), wk = 0.0015026 k( 653) = ( 0.4545455 -0.8656870 -0.8612761), wk = 0.0015026 k( 654) = ( 0.4545455 -0.8656870 -0.7033756), wk = 0.0015026 k( 655) = ( 0.4545455 -0.8656870 -0.5454752), wk = 0.0015026 k( 656) = ( 0.4545455 -0.7105201 -0.3583209), wk = 0.0015026 k( 657) = ( 0.4545455 -0.7105201 -0.2004204), wk = 0.0015026 k( 658) = ( 0.4545455 -0.7105201 -0.0425200), wk = 0.0015026 k( 659) = ( 0.4545455 -0.7105201 0.1153805), wk = 0.0015026 k( 660) = ( 0.4545455 -0.7105201 0.2732810), wk = 0.0015026 k( 661) = ( 0.4545455 -0.7105201 0.4311814), wk = 0.0015026 k( 662) = ( 0.4545455 -0.7105201 -1.1478232), wk = 0.0015026 k( 663) = ( 0.4545455 -0.7105201 -0.9899227), wk = 0.0015026 k( 664) = ( 0.4545455 -0.7105201 -0.8320223), wk = 0.0015026 k( 665) = ( 0.4545455 -0.7105201 -0.6741218), wk = 0.0015026 k( 666) = ( 0.4545455 -0.7105201 -0.5162213), wk = 0.0015026 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0007513 k( 2) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0015026 k( 3) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0015026 k( 4) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0015026 k( 5) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0015026 k( 6) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0015026 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0015026 k( 8) = ( 0.0000000 0.0909091 0.0909091), wk = 0.0015026 k( 9) = ( 0.0000000 0.0909091 0.1818182), wk = 0.0015026 k( 10) = ( 0.0000000 0.0909091 0.2727273), wk = 0.0015026 k( 11) = ( 0.0000000 0.0909091 0.3636364), wk = 0.0015026 k( 12) = ( 0.0000000 0.0909091 0.4545455), wk = 0.0015026 k( 13) = ( 0.0000000 0.0909091 -0.4545455), wk = 0.0015026 k( 14) = ( 0.0000000 0.0909091 -0.3636364), wk = 0.0015026 k( 15) = ( 0.0000000 0.0909091 -0.2727273), wk = 0.0015026 k( 16) = ( 0.0000000 0.0909091 -0.1818182), wk = 0.0015026 k( 17) = ( 0.0000000 0.0909091 -0.0909091), wk = 0.0015026 k( 18) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0015026 k( 19) = ( 0.0000000 0.1818182 0.0909091), wk = 0.0015026 k( 20) = ( 0.0000000 0.1818182 0.1818182), wk = 0.0015026 k( 21) = ( 0.0000000 0.1818182 0.2727273), wk = 0.0015026 k( 22) = ( 0.0000000 0.1818182 0.3636364), wk = 0.0015026 k( 23) = ( 0.0000000 0.1818182 0.4545455), wk = 0.0015026 k( 24) = ( 0.0000000 0.1818182 -0.4545455), wk = 0.0015026 k( 25) = ( 0.0000000 0.1818182 -0.3636364), wk = 0.0015026 k( 26) = ( 0.0000000 0.1818182 -0.2727273), wk = 0.0015026 k( 27) = ( 0.0000000 0.1818182 -0.1818182), wk = 0.0015026 k( 28) = ( 0.0000000 0.1818182 -0.0909091), wk = 0.0015026 k( 29) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0015026 k( 30) = ( 0.0000000 0.2727273 0.0909091), wk = 0.0015026 k( 31) = ( 0.0000000 0.2727273 0.1818182), wk = 0.0015026 k( 32) = ( 0.0000000 0.2727273 0.2727273), wk = 0.0015026 k( 33) = ( 0.0000000 0.2727273 0.3636364), wk = 0.0015026 k( 34) = ( 0.0000000 0.2727273 0.4545455), wk = 0.0015026 k( 35) = ( 0.0000000 0.2727273 -0.4545455), wk = 0.0015026 k( 36) = ( 0.0000000 0.2727273 -0.3636364), wk = 0.0015026 k( 37) = ( 0.0000000 0.2727273 -0.2727273), wk = 0.0015026 k( 38) = ( 0.0000000 0.2727273 -0.1818182), wk = 0.0015026 k( 39) = ( 0.0000000 0.2727273 -0.0909091), wk = 0.0015026 k( 40) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0015026 k( 41) = ( 0.0000000 0.3636364 0.0909091), wk = 0.0015026 k( 42) = ( 0.0000000 0.3636364 0.1818182), wk = 0.0015026 k( 43) = ( 0.0000000 0.3636364 0.2727273), wk = 0.0015026 k( 44) = ( 0.0000000 0.3636364 0.3636364), wk = 0.0015026 k( 45) = ( 0.0000000 0.3636364 0.4545455), wk = 0.0015026 k( 46) = ( 0.0000000 0.3636364 -0.4545455), wk = 0.0015026 k( 47) = ( 0.0000000 0.3636364 -0.3636364), wk = 0.0015026 k( 48) = ( 0.0000000 0.3636364 -0.2727273), wk = 0.0015026 k( 49) = ( 0.0000000 0.3636364 -0.1818182), wk = 0.0015026 k( 50) = ( 0.0000000 0.3636364 -0.0909091), wk = 0.0015026 k( 51) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0015026 k( 52) = ( 0.0000000 0.4545455 0.0909091), wk = 0.0015026 k( 53) = ( 0.0000000 0.4545455 0.1818182), wk = 0.0015026 k( 54) = ( 0.0000000 0.4545455 0.2727273), wk = 0.0015026 k( 55) = ( 0.0000000 0.4545455 0.3636364), wk = 0.0015026 k( 56) = ( 0.0000000 0.4545455 0.4545455), wk = 0.0015026 k( 57) = ( 0.0000000 0.4545455 -0.4545455), wk = 0.0015026 k( 58) = ( 0.0000000 0.4545455 -0.3636364), wk = 0.0015026 k( 59) = ( 0.0000000 0.4545455 -0.2727273), wk = 0.0015026 k( 60) = ( 0.0000000 0.4545455 -0.1818182), wk = 0.0015026 k( 61) = ( 0.0000000 0.4545455 -0.0909091), wk = 0.0015026 k( 62) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0015026 k( 63) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0015026 k( 64) = ( 0.0909091 -0.0000000 0.1818182), wk = 0.0015026 k( 65) = ( 0.0909091 -0.0000000 0.2727273), wk = 0.0015026 k( 66) = ( 0.0909091 -0.0000000 0.3636364), wk = 0.0015026 k( 67) = ( 0.0909091 -0.0000000 0.4545455), wk = 0.0015026 k( 68) = ( 0.0909091 -0.0000000 -0.4545455), wk = 0.0015026 k( 69) = ( 0.0909091 -0.0000000 -0.3636364), wk = 0.0015026 k( 70) = ( 0.0909091 -0.0000000 -0.2727273), wk = 0.0015026 k( 71) = ( 0.0909091 -0.0000000 -0.1818182), wk = 0.0015026 k( 72) = ( 0.0909091 -0.0000000 -0.0909091), wk = 0.0015026 k( 73) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0015026 k( 74) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0015026 k( 75) = ( 0.0909091 0.0909091 0.1818182), wk = 0.0015026 k( 76) = ( 0.0909091 0.0909091 0.2727273), wk = 0.0015026 k( 77) = ( 0.0909091 0.0909091 0.3636364), wk = 0.0015026 k( 78) = ( 0.0909091 0.0909091 0.4545455), wk = 0.0015026 k( 79) = ( 0.0909091 0.0909091 -0.4545455), wk = 0.0015026 k( 80) = ( 0.0909091 0.0909091 -0.3636364), wk = 0.0015026 k( 81) = ( 0.0909091 0.0909091 -0.2727273), wk = 0.0015026 k( 82) = ( 0.0909091 0.0909091 -0.1818182), wk = 0.0015026 k( 83) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0015026 k( 84) = ( 0.0909091 0.1818182 0.0000000), wk = 0.0015026 k( 85) = ( 0.0909091 0.1818182 0.0909091), wk = 0.0015026 k( 86) = ( 0.0909091 0.1818182 0.1818182), wk = 0.0015026 k( 87) = ( 0.0909091 0.1818182 0.2727273), wk = 0.0015026 k( 88) = ( 0.0909091 0.1818182 0.3636364), wk = 0.0015026 k( 89) = ( 0.0909091 0.1818182 0.4545455), wk = 0.0015026 k( 90) = ( 0.0909091 0.1818182 -0.4545455), wk = 0.0015026 k( 91) = ( 0.0909091 0.1818182 -0.3636364), wk = 0.0015026 k( 92) = ( 0.0909091 0.1818182 -0.2727273), wk = 0.0015026 k( 93) = ( 0.0909091 0.1818182 -0.1818182), wk = 0.0015026 k( 94) = ( 0.0909091 0.1818182 -0.0909091), wk = 0.0015026 k( 95) = ( 0.0909091 0.2727273 0.0000000), wk = 0.0015026 k( 96) = ( 0.0909091 0.2727273 0.0909091), wk = 0.0015026 k( 97) = ( 0.0909091 0.2727273 0.1818182), wk = 0.0015026 k( 98) = ( 0.0909091 0.2727273 0.2727273), wk = 0.0015026 k( 99) = ( 0.0909091 0.2727273 0.3636364), wk = 0.0015026 k( 100) = ( 0.0909091 0.2727273 0.4545455), wk = 0.0015026 k( 101) = ( 0.0909091 0.2727273 -0.4545455), wk = 0.0015026 k( 102) = ( 0.0909091 0.2727273 -0.3636364), wk = 0.0015026 k( 103) = ( 0.0909091 0.2727273 -0.2727273), wk = 0.0015026 k( 104) = ( 0.0909091 0.2727273 -0.1818182), wk = 0.0015026 k( 105) = ( 0.0909091 0.2727273 -0.0909091), wk = 0.0015026 k( 106) = ( 0.0909091 0.3636364 0.0000000), wk = 0.0015026 k( 107) = ( 0.0909091 0.3636364 0.0909091), wk = 0.0015026 k( 108) = ( 0.0909091 0.3636364 0.1818182), wk = 0.0015026 k( 109) = ( 0.0909091 0.3636364 0.2727273), wk = 0.0015026 k( 110) = ( 0.0909091 0.3636364 0.3636364), wk = 0.0015026 k( 111) = ( 0.0909091 0.3636364 0.4545455), wk = 0.0015026 k( 112) = ( 0.0909091 0.3636364 -0.4545455), wk = 0.0015026 k( 113) = ( 0.0909091 0.3636364 -0.3636364), wk = 0.0015026 k( 114) = ( 0.0909091 0.3636364 -0.2727273), wk = 0.0015026 k( 115) = ( 0.0909091 0.3636364 -0.1818182), wk = 0.0015026 k( 116) = ( 0.0909091 0.3636364 -0.0909091), wk = 0.0015026 k( 117) = ( 0.0909091 0.4545455 0.0000000), wk = 0.0015026 k( 118) = ( 0.0909091 0.4545455 0.0909091), wk = 0.0015026 k( 119) = ( 0.0909091 0.4545455 0.1818182), wk = 0.0015026 k( 120) = ( 0.0909091 0.4545455 0.2727273), wk = 0.0015026 k( 121) = ( 0.0909091 0.4545455 0.3636364), wk = 0.0015026 k( 122) = ( 0.0909091 0.4545455 0.4545455), wk = 0.0015026 k( 123) = ( 0.0909091 0.4545455 -0.4545455), wk = 0.0015026 k( 124) = ( 0.0909091 0.4545455 -0.3636364), wk = 0.0015026 k( 125) = ( 0.0909091 0.4545455 -0.2727273), wk = 0.0015026 k( 126) = ( 0.0909091 0.4545455 -0.1818182), wk = 0.0015026 k( 127) = ( 0.0909091 0.4545455 -0.0909091), wk = 0.0015026 k( 128) = ( 0.0909091 -0.4545455 0.0000000), wk = 0.0015026 k( 129) = ( 0.0909091 -0.4545455 0.0909091), wk = 0.0015026 k( 130) = ( 0.0909091 -0.4545455 0.1818182), wk = 0.0015026 k( 131) = ( 0.0909091 -0.4545455 0.2727273), wk = 0.0015026 k( 132) = ( 0.0909091 -0.4545455 0.3636364), wk = 0.0015026 k( 133) = ( 0.0909091 -0.4545455 0.4545455), wk = 0.0015026 k( 134) = ( 0.0909091 -0.4545455 -0.4545455), wk = 0.0015026 k( 135) = ( 0.0909091 -0.4545455 -0.3636364), wk = 0.0015026 k( 136) = ( 0.0909091 -0.4545455 -0.2727273), wk = 0.0015026 k( 137) = ( 0.0909091 -0.4545455 -0.1818182), wk = 0.0015026 k( 138) = ( 0.0909091 -0.4545455 -0.0909091), wk = 0.0015026 k( 139) = ( 0.0909091 -0.3636364 -0.0000000), wk = 0.0015026 k( 140) = ( 0.0909091 -0.3636364 0.0909091), wk = 0.0015026 k( 141) = ( 0.0909091 -0.3636364 0.1818182), wk = 0.0015026 k( 142) = ( 0.0909091 -0.3636364 0.2727273), wk = 0.0015026 k( 143) = ( 0.0909091 -0.3636364 0.3636364), wk = 0.0015026 k( 144) = ( 0.0909091 -0.3636364 0.4545455), wk = 0.0015026 k( 145) = ( 0.0909091 -0.3636364 -0.4545455), wk = 0.0015026 k( 146) = ( 0.0909091 -0.3636364 -0.3636364), wk = 0.0015026 k( 147) = ( 0.0909091 -0.3636364 -0.2727273), wk = 0.0015026 k( 148) = ( 0.0909091 -0.3636364 -0.1818182), wk = 0.0015026 k( 149) = ( 0.0909091 -0.3636364 -0.0909091), wk = 0.0015026 k( 150) = ( 0.0909091 -0.2727273 -0.0000000), wk = 0.0015026 k( 151) = ( 0.0909091 -0.2727273 0.0909091), wk = 0.0015026 k( 152) = ( 0.0909091 -0.2727273 0.1818182), wk = 0.0015026 k( 153) = ( 0.0909091 -0.2727273 0.2727273), wk = 0.0015026 k( 154) = ( 0.0909091 -0.2727273 0.3636364), wk = 0.0015026 k( 155) = ( 0.0909091 -0.2727273 0.4545455), wk = 0.0015026 k( 156) = ( 0.0909091 -0.2727273 -0.4545455), wk = 0.0015026 k( 157) = ( 0.0909091 -0.2727273 -0.3636364), wk = 0.0015026 k( 158) = ( 0.0909091 -0.2727273 -0.2727273), wk = 0.0015026 k( 159) = ( 0.0909091 -0.2727273 -0.1818182), wk = 0.0015026 k( 160) = ( 0.0909091 -0.2727273 -0.0909091), wk = 0.0015026 k( 161) = ( 0.0909091 -0.1818182 -0.0000000), wk = 0.0015026 k( 162) = ( 0.0909091 -0.1818182 0.0909091), wk = 0.0015026 k( 163) = ( 0.0909091 -0.1818182 0.1818182), wk = 0.0015026 k( 164) = ( 0.0909091 -0.1818182 0.2727273), wk = 0.0015026 k( 165) = ( 0.0909091 -0.1818182 0.3636364), wk = 0.0015026 k( 166) = ( 0.0909091 -0.1818182 0.4545455), wk = 0.0015026 k( 167) = ( 0.0909091 -0.1818182 -0.4545455), wk = 0.0015026 k( 168) = ( 0.0909091 -0.1818182 -0.3636364), wk = 0.0015026 k( 169) = ( 0.0909091 -0.1818182 -0.2727273), wk = 0.0015026 k( 170) = ( 0.0909091 -0.1818182 -0.1818182), wk = 0.0015026 k( 171) = ( 0.0909091 -0.1818182 -0.0909091), wk = 0.0015026 k( 172) = ( 0.0909091 -0.0909091 -0.0000000), wk = 0.0015026 k( 173) = ( 0.0909091 -0.0909091 0.0909091), wk = 0.0015026 k( 174) = ( 0.0909091 -0.0909091 0.1818182), wk = 0.0015026 k( 175) = ( 0.0909091 -0.0909091 0.2727273), wk = 0.0015026 k( 176) = ( 0.0909091 -0.0909091 0.3636364), wk = 0.0015026 k( 177) = ( 0.0909091 -0.0909091 0.4545455), wk = 0.0015026 k( 178) = ( 0.0909091 -0.0909091 -0.4545455), wk = 0.0015026 k( 179) = ( 0.0909091 -0.0909091 -0.3636364), wk = 0.0015026 k( 180) = ( 0.0909091 -0.0909091 -0.2727273), wk = 0.0015026 k( 181) = ( 0.0909091 -0.0909091 -0.1818182), wk = 0.0015026 k( 182) = ( 0.0909091 -0.0909091 -0.0909091), wk = 0.0015026 k( 183) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0015026 k( 184) = ( 0.1818182 -0.0000000 0.0909091), wk = 0.0015026 k( 185) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0015026 k( 186) = ( 0.1818182 -0.0000000 0.2727273), wk = 0.0015026 k( 187) = ( 0.1818182 -0.0000000 0.3636364), wk = 0.0015026 k( 188) = ( 0.1818182 -0.0000000 0.4545455), wk = 0.0015026 k( 189) = ( 0.1818182 -0.0000000 -0.4545455), wk = 0.0015026 k( 190) = ( 0.1818182 -0.0000000 -0.3636364), wk = 0.0015026 k( 191) = ( 0.1818182 -0.0000000 -0.2727273), wk = 0.0015026 k( 192) = ( 0.1818182 -0.0000000 -0.1818182), wk = 0.0015026 k( 193) = ( 0.1818182 -0.0000000 -0.0909091), wk = 0.0015026 k( 194) = ( 0.1818182 0.0909091 -0.0000000), wk = 0.0015026 k( 195) = ( 0.1818182 0.0909091 0.0909091), wk = 0.0015026 k( 196) = ( 0.1818182 0.0909091 0.1818182), wk = 0.0015026 k( 197) = ( 0.1818182 0.0909091 0.2727273), wk = 0.0015026 k( 198) = ( 0.1818182 0.0909091 0.3636364), wk = 0.0015026 k( 199) = ( 0.1818182 0.0909091 0.4545455), wk = 0.0015026 k( 200) = ( 0.1818182 0.0909091 -0.4545455), wk = 0.0015026 k( 201) = ( 0.1818182 0.0909091 -0.3636364), wk = 0.0015026 k( 202) = ( 0.1818182 0.0909091 -0.2727273), wk = 0.0015026 k( 203) = ( 0.1818182 0.0909091 -0.1818182), wk = 0.0015026 k( 204) = ( 0.1818182 0.0909091 -0.0909091), wk = 0.0015026 k( 205) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0015026 k( 206) = ( 0.1818182 0.1818182 0.0909091), wk = 0.0015026 k( 207) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0015026 k( 208) = ( 0.1818182 0.1818182 0.2727273), wk = 0.0015026 k( 209) = ( 0.1818182 0.1818182 0.3636364), wk = 0.0015026 k( 210) = ( 0.1818182 0.1818182 0.4545455), wk = 0.0015026 k( 211) = ( 0.1818182 0.1818182 -0.4545455), wk = 0.0015026 k( 212) = ( 0.1818182 0.1818182 -0.3636364), wk = 0.0015026 k( 213) = ( 0.1818182 0.1818182 -0.2727273), wk = 0.0015026 k( 214) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0015026 k( 215) = ( 0.1818182 0.1818182 -0.0909091), wk = 0.0015026 k( 216) = ( 0.1818182 0.2727273 0.0000000), wk = 0.0015026 k( 217) = ( 0.1818182 0.2727273 0.0909091), wk = 0.0015026 k( 218) = ( 0.1818182 0.2727273 0.1818182), wk = 0.0015026 k( 219) = ( 0.1818182 0.2727273 0.2727273), wk = 0.0015026 k( 220) = ( 0.1818182 0.2727273 0.3636364), wk = 0.0015026 k( 221) = ( 0.1818182 0.2727273 0.4545455), wk = 0.0015026 k( 222) = ( 0.1818182 0.2727273 -0.4545455), wk = 0.0015026 k( 223) = ( 0.1818182 0.2727273 -0.3636364), wk = 0.0015026 k( 224) = ( 0.1818182 0.2727273 -0.2727273), wk = 0.0015026 k( 225) = ( 0.1818182 0.2727273 -0.1818182), wk = 0.0015026 k( 226) = ( 0.1818182 0.2727273 -0.0909091), wk = 0.0015026 k( 227) = ( 0.1818182 0.3636364 0.0000000), wk = 0.0015026 k( 228) = ( 0.1818182 0.3636364 0.0909091), wk = 0.0015026 k( 229) = ( 0.1818182 0.3636364 0.1818182), wk = 0.0015026 k( 230) = ( 0.1818182 0.3636364 0.2727273), wk = 0.0015026 k( 231) = ( 0.1818182 0.3636364 0.3636364), wk = 0.0015026 k( 232) = ( 0.1818182 0.3636364 0.4545455), wk = 0.0015026 k( 233) = ( 0.1818182 0.3636364 -0.4545455), wk = 0.0015026 k( 234) = ( 0.1818182 0.3636364 -0.3636364), wk = 0.0015026 k( 235) = ( 0.1818182 0.3636364 -0.2727273), wk = 0.0015026 k( 236) = ( 0.1818182 0.3636364 -0.1818182), wk = 0.0015026 k( 237) = ( 0.1818182 0.3636364 -0.0909091), wk = 0.0015026 k( 238) = ( 0.1818182 0.4545455 0.0000000), wk = 0.0015026 k( 239) = ( 0.1818182 0.4545455 0.0909091), wk = 0.0015026 k( 240) = ( 0.1818182 0.4545455 0.1818182), wk = 0.0015026 k( 241) = ( 0.1818182 0.4545455 0.2727273), wk = 0.0015026 k( 242) = ( 0.1818182 0.4545455 0.3636364), wk = 0.0015026 k( 243) = ( 0.1818182 0.4545455 0.4545455), wk = 0.0015026 k( 244) = ( 0.1818182 0.4545455 -0.4545455), wk = 0.0015026 k( 245) = ( 0.1818182 0.4545455 -0.3636364), wk = 0.0015026 k( 246) = ( 0.1818182 0.4545455 -0.2727273), wk = 0.0015026 k( 247) = ( 0.1818182 0.4545455 -0.1818182), wk = 0.0015026 k( 248) = ( 0.1818182 0.4545455 -0.0909091), wk = 0.0015026 k( 249) = ( 0.1818182 -0.4545455 -0.0000000), wk = 0.0015026 k( 250) = ( 0.1818182 -0.4545455 0.0909091), wk = 0.0015026 k( 251) = ( 0.1818182 -0.4545455 0.1818182), wk = 0.0015026 k( 252) = ( 0.1818182 -0.4545455 0.2727273), wk = 0.0015026 k( 253) = ( 0.1818182 -0.4545455 0.3636364), wk = 0.0015026 k( 254) = ( 0.1818182 -0.4545455 0.4545455), wk = 0.0015026 k( 255) = ( 0.1818182 -0.4545455 -0.4545455), wk = 0.0015026 k( 256) = ( 0.1818182 -0.4545455 -0.3636364), wk = 0.0015026 k( 257) = ( 0.1818182 -0.4545455 -0.2727273), wk = 0.0015026 k( 258) = ( 0.1818182 -0.4545455 -0.1818182), wk = 0.0015026 k( 259) = ( 0.1818182 -0.4545455 -0.0909091), wk = 0.0015026 k( 260) = ( 0.1818182 -0.3636364 -0.0000000), wk = 0.0015026 k( 261) = ( 0.1818182 -0.3636364 0.0909091), wk = 0.0015026 k( 262) = ( 0.1818182 -0.3636364 0.1818182), wk = 0.0015026 k( 263) = ( 0.1818182 -0.3636364 0.2727273), wk = 0.0015026 k( 264) = ( 0.1818182 -0.3636364 0.3636364), wk = 0.0015026 k( 265) = ( 0.1818182 -0.3636364 0.4545455), wk = 0.0015026 k( 266) = ( 0.1818182 -0.3636364 -0.4545455), wk = 0.0015026 k( 267) = ( 0.1818182 -0.3636364 -0.3636364), wk = 0.0015026 k( 268) = ( 0.1818182 -0.3636364 -0.2727273), wk = 0.0015026 k( 269) = ( 0.1818182 -0.3636364 -0.1818182), wk = 0.0015026 k( 270) = ( 0.1818182 -0.3636364 -0.0909091), wk = 0.0015026 k( 271) = ( 0.1818182 -0.2727273 -0.0000000), wk = 0.0015026 k( 272) = ( 0.1818182 -0.2727273 0.0909091), wk = 0.0015026 k( 273) = ( 0.1818182 -0.2727273 0.1818182), wk = 0.0015026 k( 274) = ( 0.1818182 -0.2727273 0.2727273), wk = 0.0015026 k( 275) = ( 0.1818182 -0.2727273 0.3636364), wk = 0.0015026 k( 276) = ( 0.1818182 -0.2727273 0.4545455), wk = 0.0015026 k( 277) = ( 0.1818182 -0.2727273 -0.4545455), wk = 0.0015026 k( 278) = ( 0.1818182 -0.2727273 -0.3636364), wk = 0.0015026 k( 279) = ( 0.1818182 -0.2727273 -0.2727273), wk = 0.0015026 k( 280) = ( 0.1818182 -0.2727273 -0.1818182), wk = 0.0015026 k( 281) = ( 0.1818182 -0.2727273 -0.0909091), wk = 0.0015026 k( 282) = ( 0.1818182 -0.1818182 -0.0000000), wk = 0.0015026 k( 283) = ( 0.1818182 -0.1818182 0.0909091), wk = 0.0015026 k( 284) = ( 0.1818182 -0.1818182 0.1818182), wk = 0.0015026 k( 285) = ( 0.1818182 -0.1818182 0.2727273), wk = 0.0015026 k( 286) = ( 0.1818182 -0.1818182 0.3636364), wk = 0.0015026 k( 287) = ( 0.1818182 -0.1818182 0.4545455), wk = 0.0015026 k( 288) = ( 0.1818182 -0.1818182 -0.4545455), wk = 0.0015026 k( 289) = ( 0.1818182 -0.1818182 -0.3636364), wk = 0.0015026 k( 290) = ( 0.1818182 -0.1818182 -0.2727273), wk = 0.0015026 k( 291) = ( 0.1818182 -0.1818182 -0.1818182), wk = 0.0015026 k( 292) = ( 0.1818182 -0.1818182 -0.0909091), wk = 0.0015026 k( 293) = ( 0.1818182 -0.0909091 -0.0000000), wk = 0.0015026 k( 294) = ( 0.1818182 -0.0909091 0.0909091), wk = 0.0015026 k( 295) = ( 0.1818182 -0.0909091 0.1818182), wk = 0.0015026 k( 296) = ( 0.1818182 -0.0909091 0.2727273), wk = 0.0015026 k( 297) = ( 0.1818182 -0.0909091 0.3636364), wk = 0.0015026 k( 298) = ( 0.1818182 -0.0909091 0.4545455), wk = 0.0015026 k( 299) = ( 0.1818182 -0.0909091 -0.4545455), wk = 0.0015026 k( 300) = ( 0.1818182 -0.0909091 -0.3636364), wk = 0.0015026 k( 301) = ( 0.1818182 -0.0909091 -0.2727273), wk = 0.0015026 k( 302) = ( 0.1818182 -0.0909091 -0.1818182), wk = 0.0015026 k( 303) = ( 0.1818182 -0.0909091 -0.0909091), wk = 0.0015026 k( 304) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0015026 k( 305) = ( 0.2727273 0.0000000 0.0909091), wk = 0.0015026 k( 306) = ( 0.2727273 0.0000000 0.1818182), wk = 0.0015026 k( 307) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0015026 k( 308) = ( 0.2727273 0.0000000 0.3636364), wk = 0.0015026 k( 309) = ( 0.2727273 0.0000000 0.4545455), wk = 0.0015026 k( 310) = ( 0.2727273 0.0000000 -0.4545455), wk = 0.0015026 k( 311) = ( 0.2727273 0.0000000 -0.3636364), wk = 0.0015026 k( 312) = ( 0.2727273 0.0000000 -0.2727273), wk = 0.0015026 k( 313) = ( 0.2727273 0.0000000 -0.1818182), wk = 0.0015026 k( 314) = ( 0.2727273 0.0000000 -0.0909091), wk = 0.0015026 k( 315) = ( 0.2727273 0.0909091 -0.0000000), wk = 0.0015026 k( 316) = ( 0.2727273 0.0909091 0.0909091), wk = 0.0015026 k( 317) = ( 0.2727273 0.0909091 0.1818182), wk = 0.0015026 k( 318) = ( 0.2727273 0.0909091 0.2727273), wk = 0.0015026 k( 319) = ( 0.2727273 0.0909091 0.3636364), wk = 0.0015026 k( 320) = ( 0.2727273 0.0909091 0.4545455), wk = 0.0015026 k( 321) = ( 0.2727273 0.0909091 -0.4545455), wk = 0.0015026 k( 322) = ( 0.2727273 0.0909091 -0.3636364), wk = 0.0015026 k( 323) = ( 0.2727273 0.0909091 -0.2727273), wk = 0.0015026 k( 324) = ( 0.2727273 0.0909091 -0.1818182), wk = 0.0015026 k( 325) = ( 0.2727273 0.0909091 -0.0909091), wk = 0.0015026 k( 326) = ( 0.2727273 0.1818182 0.0000000), wk = 0.0015026 k( 327) = ( 0.2727273 0.1818182 0.0909091), wk = 0.0015026 k( 328) = ( 0.2727273 0.1818182 0.1818182), wk = 0.0015026 k( 329) = ( 0.2727273 0.1818182 0.2727273), wk = 0.0015026 k( 330) = ( 0.2727273 0.1818182 0.3636364), wk = 0.0015026 k( 331) = ( 0.2727273 0.1818182 0.4545455), wk = 0.0015026 k( 332) = ( 0.2727273 0.1818182 -0.4545455), wk = 0.0015026 k( 333) = ( 0.2727273 0.1818182 -0.3636364), wk = 0.0015026 k( 334) = ( 0.2727273 0.1818182 -0.2727273), wk = 0.0015026 k( 335) = ( 0.2727273 0.1818182 -0.1818182), wk = 0.0015026 k( 336) = ( 0.2727273 0.1818182 -0.0909091), wk = 0.0015026 k( 337) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0015026 k( 338) = ( 0.2727273 0.2727273 0.0909091), wk = 0.0015026 k( 339) = ( 0.2727273 0.2727273 0.1818182), wk = 0.0015026 k( 340) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0015026 k( 341) = ( 0.2727273 0.2727273 0.3636364), wk = 0.0015026 k( 342) = ( 0.2727273 0.2727273 0.4545455), wk = 0.0015026 k( 343) = ( 0.2727273 0.2727273 -0.4545455), wk = 0.0015026 k( 344) = ( 0.2727273 0.2727273 -0.3636364), wk = 0.0015026 k( 345) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0015026 k( 346) = ( 0.2727273 0.2727273 -0.1818182), wk = 0.0015026 k( 347) = ( 0.2727273 0.2727273 -0.0909091), wk = 0.0015026 k( 348) = ( 0.2727273 0.3636364 0.0000000), wk = 0.0015026 k( 349) = ( 0.2727273 0.3636364 0.0909091), wk = 0.0015026 k( 350) = ( 0.2727273 0.3636364 0.1818182), wk = 0.0015026 k( 351) = ( 0.2727273 0.3636364 0.2727273), wk = 0.0015026 k( 352) = ( 0.2727273 0.3636364 0.3636364), wk = 0.0015026 k( 353) = ( 0.2727273 0.3636364 0.4545455), wk = 0.0015026 k( 354) = ( 0.2727273 0.3636364 -0.4545455), wk = 0.0015026 k( 355) = ( 0.2727273 0.3636364 -0.3636364), wk = 0.0015026 k( 356) = ( 0.2727273 0.3636364 -0.2727273), wk = 0.0015026 k( 357) = ( 0.2727273 0.3636364 -0.1818182), wk = 0.0015026 k( 358) = ( 0.2727273 0.3636364 -0.0909091), wk = 0.0015026 k( 359) = ( 0.2727273 0.4545455 0.0000000), wk = 0.0015026 k( 360) = ( 0.2727273 0.4545455 0.0909091), wk = 0.0015026 k( 361) = ( 0.2727273 0.4545455 0.1818182), wk = 0.0015026 k( 362) = ( 0.2727273 0.4545455 0.2727273), wk = 0.0015026 k( 363) = ( 0.2727273 0.4545455 0.3636364), wk = 0.0015026 k( 364) = ( 0.2727273 0.4545455 0.4545455), wk = 0.0015026 k( 365) = ( 0.2727273 0.4545455 -0.4545455), wk = 0.0015026 k( 366) = ( 0.2727273 0.4545455 -0.3636364), wk = 0.0015026 k( 367) = ( 0.2727273 0.4545455 -0.2727273), wk = 0.0015026 k( 368) = ( 0.2727273 0.4545455 -0.1818182), wk = 0.0015026 k( 369) = ( 0.2727273 0.4545455 -0.0909091), wk = 0.0015026 k( 370) = ( 0.2727273 -0.4545455 0.0000000), wk = 0.0015026 k( 371) = ( 0.2727273 -0.4545455 0.0909091), wk = 0.0015026 k( 372) = ( 0.2727273 -0.4545455 0.1818182), wk = 0.0015026 k( 373) = ( 0.2727273 -0.4545455 0.2727273), wk = 0.0015026 k( 374) = ( 0.2727273 -0.4545455 0.3636364), wk = 0.0015026 k( 375) = ( 0.2727273 -0.4545455 0.4545455), wk = 0.0015026 k( 376) = ( 0.2727273 -0.4545455 -0.4545455), wk = 0.0015026 k( 377) = ( 0.2727273 -0.4545455 -0.3636364), wk = 0.0015026 k( 378) = ( 0.2727273 -0.4545455 -0.2727273), wk = 0.0015026 k( 379) = ( 0.2727273 -0.4545455 -0.1818182), wk = 0.0015026 k( 380) = ( 0.2727273 -0.4545455 -0.0909091), wk = 0.0015026 k( 381) = ( 0.2727273 -0.3636364 -0.0000000), wk = 0.0015026 k( 382) = ( 0.2727273 -0.3636364 0.0909091), wk = 0.0015026 k( 383) = ( 0.2727273 -0.3636364 0.1818182), wk = 0.0015026 k( 384) = ( 0.2727273 -0.3636364 0.2727273), wk = 0.0015026 k( 385) = ( 0.2727273 -0.3636364 0.3636364), wk = 0.0015026 k( 386) = ( 0.2727273 -0.3636364 0.4545455), wk = 0.0015026 k( 387) = ( 0.2727273 -0.3636364 -0.4545455), wk = 0.0015026 k( 388) = ( 0.2727273 -0.3636364 -0.3636364), wk = 0.0015026 k( 389) = ( 0.2727273 -0.3636364 -0.2727273), wk = 0.0015026 k( 390) = ( 0.2727273 -0.3636364 -0.1818182), wk = 0.0015026 k( 391) = ( 0.2727273 -0.3636364 -0.0909091), wk = 0.0015026 k( 392) = ( 0.2727273 -0.2727273 0.0000000), wk = 0.0015026 k( 393) = ( 0.2727273 -0.2727273 0.0909091), wk = 0.0015026 k( 394) = ( 0.2727273 -0.2727273 0.1818182), wk = 0.0015026 k( 395) = ( 0.2727273 -0.2727273 0.2727273), wk = 0.0015026 k( 396) = ( 0.2727273 -0.2727273 0.3636364), wk = 0.0015026 k( 397) = ( 0.2727273 -0.2727273 0.4545455), wk = 0.0015026 k( 398) = ( 0.2727273 -0.2727273 -0.4545455), wk = 0.0015026 k( 399) = ( 0.2727273 -0.2727273 -0.3636364), wk = 0.0015026 k( 400) = ( 0.2727273 -0.2727273 -0.2727273), wk = 0.0015026 k( 401) = ( 0.2727273 -0.2727273 -0.1818182), wk = 0.0015026 k( 402) = ( 0.2727273 -0.2727273 -0.0909091), wk = 0.0015026 k( 403) = ( 0.2727273 -0.1818182 -0.0000000), wk = 0.0015026 k( 404) = ( 0.2727273 -0.1818182 0.0909091), wk = 0.0015026 k( 405) = ( 0.2727273 -0.1818182 0.1818182), wk = 0.0015026 k( 406) = ( 0.2727273 -0.1818182 0.2727273), wk = 0.0015026 k( 407) = ( 0.2727273 -0.1818182 0.3636364), wk = 0.0015026 k( 408) = ( 0.2727273 -0.1818182 0.4545455), wk = 0.0015026 k( 409) = ( 0.2727273 -0.1818182 -0.4545455), wk = 0.0015026 k( 410) = ( 0.2727273 -0.1818182 -0.3636364), wk = 0.0015026 k( 411) = ( 0.2727273 -0.1818182 -0.2727273), wk = 0.0015026 k( 412) = ( 0.2727273 -0.1818182 -0.1818182), wk = 0.0015026 k( 413) = ( 0.2727273 -0.1818182 -0.0909091), wk = 0.0015026 k( 414) = ( 0.2727273 -0.0909091 -0.0000000), wk = 0.0015026 k( 415) = ( 0.2727273 -0.0909091 0.0909091), wk = 0.0015026 k( 416) = ( 0.2727273 -0.0909091 0.1818182), wk = 0.0015026 k( 417) = ( 0.2727273 -0.0909091 0.2727273), wk = 0.0015026 k( 418) = ( 0.2727273 -0.0909091 0.3636364), wk = 0.0015026 k( 419) = ( 0.2727273 -0.0909091 0.4545455), wk = 0.0015026 k( 420) = ( 0.2727273 -0.0909091 -0.4545455), wk = 0.0015026 k( 421) = ( 0.2727273 -0.0909091 -0.3636364), wk = 0.0015026 k( 422) = ( 0.2727273 -0.0909091 -0.2727273), wk = 0.0015026 k( 423) = ( 0.2727273 -0.0909091 -0.1818182), wk = 0.0015026 k( 424) = ( 0.2727273 -0.0909091 -0.0909091), wk = 0.0015026 k( 425) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0015026 k( 426) = ( 0.3636364 -0.0000000 0.0909091), wk = 0.0015026 k( 427) = ( 0.3636364 -0.0000000 0.1818182), wk = 0.0015026 k( 428) = ( 0.3636364 -0.0000000 0.2727273), wk = 0.0015026 k( 429) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0015026 k( 430) = ( 0.3636364 -0.0000000 0.4545455), wk = 0.0015026 k( 431) = ( 0.3636364 -0.0000000 -0.4545455), wk = 0.0015026 k( 432) = ( 0.3636364 -0.0000000 -0.3636364), wk = 0.0015026 k( 433) = ( 0.3636364 -0.0000000 -0.2727273), wk = 0.0015026 k( 434) = ( 0.3636364 -0.0000000 -0.1818182), wk = 0.0015026 k( 435) = ( 0.3636364 -0.0000000 -0.0909091), wk = 0.0015026 k( 436) = ( 0.3636364 0.0909091 0.0000000), wk = 0.0015026 k( 437) = ( 0.3636364 0.0909091 0.0909091), wk = 0.0015026 k( 438) = ( 0.3636364 0.0909091 0.1818182), wk = 0.0015026 k( 439) = ( 0.3636364 0.0909091 0.2727273), wk = 0.0015026 k( 440) = ( 0.3636364 0.0909091 0.3636364), wk = 0.0015026 k( 441) = ( 0.3636364 0.0909091 0.4545455), wk = 0.0015026 k( 442) = ( 0.3636364 0.0909091 -0.4545455), wk = 0.0015026 k( 443) = ( 0.3636364 0.0909091 -0.3636364), wk = 0.0015026 k( 444) = ( 0.3636364 0.0909091 -0.2727273), wk = 0.0015026 k( 445) = ( 0.3636364 0.0909091 -0.1818182), wk = 0.0015026 k( 446) = ( 0.3636364 0.0909091 -0.0909091), wk = 0.0015026 k( 447) = ( 0.3636364 0.1818182 -0.0000000), wk = 0.0015026 k( 448) = ( 0.3636364 0.1818182 0.0909091), wk = 0.0015026 k( 449) = ( 0.3636364 0.1818182 0.1818182), wk = 0.0015026 k( 450) = ( 0.3636364 0.1818182 0.2727273), wk = 0.0015026 k( 451) = ( 0.3636364 0.1818182 0.3636364), wk = 0.0015026 k( 452) = ( 0.3636364 0.1818182 0.4545455), wk = 0.0015026 k( 453) = ( 0.3636364 0.1818182 -0.4545455), wk = 0.0015026 k( 454) = ( 0.3636364 0.1818182 -0.3636364), wk = 0.0015026 k( 455) = ( 0.3636364 0.1818182 -0.2727273), wk = 0.0015026 k( 456) = ( 0.3636364 0.1818182 -0.1818182), wk = 0.0015026 k( 457) = ( 0.3636364 0.1818182 -0.0909091), wk = 0.0015026 k( 458) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0015026 k( 459) = ( 0.3636364 0.2727273 0.0909091), wk = 0.0015026 k( 460) = ( 0.3636364 0.2727273 0.1818182), wk = 0.0015026 k( 461) = ( 0.3636364 0.2727273 0.2727273), wk = 0.0015026 k( 462) = ( 0.3636364 0.2727273 0.3636364), wk = 0.0015026 k( 463) = ( 0.3636364 0.2727273 0.4545455), wk = 0.0015026 k( 464) = ( 0.3636364 0.2727273 -0.4545455), wk = 0.0015026 k( 465) = ( 0.3636364 0.2727273 -0.3636364), wk = 0.0015026 k( 466) = ( 0.3636364 0.2727273 -0.2727273), wk = 0.0015026 k( 467) = ( 0.3636364 0.2727273 -0.1818182), wk = 0.0015026 k( 468) = ( 0.3636364 0.2727273 -0.0909091), wk = 0.0015026 k( 469) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0015026 k( 470) = ( 0.3636364 0.3636364 0.0909091), wk = 0.0015026 k( 471) = ( 0.3636364 0.3636364 0.1818182), wk = 0.0015026 k( 472) = ( 0.3636364 0.3636364 0.2727273), wk = 0.0015026 k( 473) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0015026 k( 474) = ( 0.3636364 0.3636364 0.4545455), wk = 0.0015026 k( 475) = ( 0.3636364 0.3636364 -0.4545455), wk = 0.0015026 k( 476) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0015026 k( 477) = ( 0.3636364 0.3636364 -0.2727273), wk = 0.0015026 k( 478) = ( 0.3636364 0.3636364 -0.1818182), wk = 0.0015026 k( 479) = ( 0.3636364 0.3636364 -0.0909091), wk = 0.0015026 k( 480) = ( 0.3636364 0.4545455 -0.0000000), wk = 0.0015026 k( 481) = ( 0.3636364 0.4545455 0.0909091), wk = 0.0015026 k( 482) = ( 0.3636364 0.4545455 0.1818182), wk = 0.0015026 k( 483) = ( 0.3636364 0.4545455 0.2727273), wk = 0.0015026 k( 484) = ( 0.3636364 0.4545455 0.3636364), wk = 0.0015026 k( 485) = ( 0.3636364 0.4545455 0.4545455), wk = 0.0015026 k( 486) = ( 0.3636364 0.4545455 -0.4545455), wk = 0.0015026 k( 487) = ( 0.3636364 0.4545455 -0.3636364), wk = 0.0015026 k( 488) = ( 0.3636364 0.4545455 -0.2727273), wk = 0.0015026 k( 489) = ( 0.3636364 0.4545455 -0.1818182), wk = 0.0015026 k( 490) = ( 0.3636364 0.4545455 -0.0909091), wk = 0.0015026 k( 491) = ( 0.3636364 -0.4545455 -0.0000000), wk = 0.0015026 k( 492) = ( 0.3636364 -0.4545455 0.0909091), wk = 0.0015026 k( 493) = ( 0.3636364 -0.4545455 0.1818182), wk = 0.0015026 k( 494) = ( 0.3636364 -0.4545455 0.2727273), wk = 0.0015026 k( 495) = ( 0.3636364 -0.4545455 0.3636364), wk = 0.0015026 k( 496) = ( 0.3636364 -0.4545455 0.4545455), wk = 0.0015026 k( 497) = ( 0.3636364 -0.4545455 -0.4545455), wk = 0.0015026 k( 498) = ( 0.3636364 -0.4545455 -0.3636364), wk = 0.0015026 k( 499) = ( 0.3636364 -0.4545455 -0.2727273), wk = 0.0015026 k( 500) = ( 0.3636364 -0.4545455 -0.1818182), wk = 0.0015026 k( 501) = ( 0.3636364 -0.4545455 -0.0909091), wk = 0.0015026 k( 502) = ( 0.3636364 -0.3636364 0.0000000), wk = 0.0015026 k( 503) = ( 0.3636364 -0.3636364 0.0909091), wk = 0.0015026 k( 504) = ( 0.3636364 -0.3636364 0.1818182), wk = 0.0015026 k( 505) = ( 0.3636364 -0.3636364 0.2727273), wk = 0.0015026 k( 506) = ( 0.3636364 -0.3636364 0.3636364), wk = 0.0015026 k( 507) = ( 0.3636364 -0.3636364 0.4545455), wk = 0.0015026 k( 508) = ( 0.3636364 -0.3636364 -0.4545455), wk = 0.0015026 k( 509) = ( 0.3636364 -0.3636364 -0.3636364), wk = 0.0015026 k( 510) = ( 0.3636364 -0.3636364 -0.2727273), wk = 0.0015026 k( 511) = ( 0.3636364 -0.3636364 -0.1818182), wk = 0.0015026 k( 512) = ( 0.3636364 -0.3636364 -0.0909091), wk = 0.0015026 k( 513) = ( 0.3636364 -0.2727273 -0.0000000), wk = 0.0015026 k( 514) = ( 0.3636364 -0.2727273 0.0909091), wk = 0.0015026 k( 515) = ( 0.3636364 -0.2727273 0.1818182), wk = 0.0015026 k( 516) = ( 0.3636364 -0.2727273 0.2727273), wk = 0.0015026 k( 517) = ( 0.3636364 -0.2727273 0.3636364), wk = 0.0015026 k( 518) = ( 0.3636364 -0.2727273 0.4545455), wk = 0.0015026 k( 519) = ( 0.3636364 -0.2727273 -0.4545455), wk = 0.0015026 k( 520) = ( 0.3636364 -0.2727273 -0.3636364), wk = 0.0015026 k( 521) = ( 0.3636364 -0.2727273 -0.2727273), wk = 0.0015026 k( 522) = ( 0.3636364 -0.2727273 -0.1818182), wk = 0.0015026 k( 523) = ( 0.3636364 -0.2727273 -0.0909091), wk = 0.0015026 k( 524) = ( 0.3636364 -0.1818182 -0.0000000), wk = 0.0015026 k( 525) = ( 0.3636364 -0.1818182 0.0909091), wk = 0.0015026 k( 526) = ( 0.3636364 -0.1818182 0.1818182), wk = 0.0015026 k( 527) = ( 0.3636364 -0.1818182 0.2727273), wk = 0.0015026 k( 528) = ( 0.3636364 -0.1818182 0.3636364), wk = 0.0015026 k( 529) = ( 0.3636364 -0.1818182 0.4545455), wk = 0.0015026 k( 530) = ( 0.3636364 -0.1818182 -0.4545455), wk = 0.0015026 k( 531) = ( 0.3636364 -0.1818182 -0.3636364), wk = 0.0015026 k( 532) = ( 0.3636364 -0.1818182 -0.2727273), wk = 0.0015026 k( 533) = ( 0.3636364 -0.1818182 -0.1818182), wk = 0.0015026 k( 534) = ( 0.3636364 -0.1818182 -0.0909091), wk = 0.0015026 k( 535) = ( 0.3636364 -0.0909091 -0.0000000), wk = 0.0015026 k( 536) = ( 0.3636364 -0.0909091 0.0909091), wk = 0.0015026 k( 537) = ( 0.3636364 -0.0909091 0.1818182), wk = 0.0015026 k( 538) = ( 0.3636364 -0.0909091 0.2727273), wk = 0.0015026 k( 539) = ( 0.3636364 -0.0909091 0.3636364), wk = 0.0015026 k( 540) = ( 0.3636364 -0.0909091 0.4545455), wk = 0.0015026 k( 541) = ( 0.3636364 -0.0909091 -0.4545455), wk = 0.0015026 k( 542) = ( 0.3636364 -0.0909091 -0.3636364), wk = 0.0015026 k( 543) = ( 0.3636364 -0.0909091 -0.2727273), wk = 0.0015026 k( 544) = ( 0.3636364 -0.0909091 -0.1818182), wk = 0.0015026 k( 545) = ( 0.3636364 -0.0909091 -0.0909091), wk = 0.0015026 k( 546) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0015026 k( 547) = ( 0.4545455 -0.0000000 0.0909091), wk = 0.0015026 k( 548) = ( 0.4545455 -0.0000000 0.1818182), wk = 0.0015026 k( 549) = ( 0.4545455 -0.0000000 0.2727273), wk = 0.0015026 k( 550) = ( 0.4545455 -0.0000000 0.3636364), wk = 0.0015026 k( 551) = ( 0.4545455 -0.0000000 0.4545455), wk = 0.0015026 k( 552) = ( 0.4545455 -0.0000000 -0.4545455), wk = 0.0015026 k( 553) = ( 0.4545455 -0.0000000 -0.3636364), wk = 0.0015026 k( 554) = ( 0.4545455 -0.0000000 -0.2727273), wk = 0.0015026 k( 555) = ( 0.4545455 -0.0000000 -0.1818182), wk = 0.0015026 k( 556) = ( 0.4545455 -0.0000000 -0.0909091), wk = 0.0015026 k( 557) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0015026 k( 558) = ( 0.4545455 0.0909091 0.0909091), wk = 0.0015026 k( 559) = ( 0.4545455 0.0909091 0.1818182), wk = 0.0015026 k( 560) = ( 0.4545455 0.0909091 0.2727273), wk = 0.0015026 k( 561) = ( 0.4545455 0.0909091 0.3636364), wk = 0.0015026 k( 562) = ( 0.4545455 0.0909091 0.4545455), wk = 0.0015026 k( 563) = ( 0.4545455 0.0909091 -0.4545455), wk = 0.0015026 k( 564) = ( 0.4545455 0.0909091 -0.3636364), wk = 0.0015026 k( 565) = ( 0.4545455 0.0909091 -0.2727273), wk = 0.0015026 k( 566) = ( 0.4545455 0.0909091 -0.1818182), wk = 0.0015026 k( 567) = ( 0.4545455 0.0909091 -0.0909091), wk = 0.0015026 k( 568) = ( 0.4545455 0.1818182 -0.0000000), wk = 0.0015026 k( 569) = ( 0.4545455 0.1818182 0.0909091), wk = 0.0015026 k( 570) = ( 0.4545455 0.1818182 0.1818182), wk = 0.0015026 k( 571) = ( 0.4545455 0.1818182 0.2727273), wk = 0.0015026 k( 572) = ( 0.4545455 0.1818182 0.3636364), wk = 0.0015026 k( 573) = ( 0.4545455 0.1818182 0.4545455), wk = 0.0015026 k( 574) = ( 0.4545455 0.1818182 -0.4545455), wk = 0.0015026 k( 575) = ( 0.4545455 0.1818182 -0.3636364), wk = 0.0015026 k( 576) = ( 0.4545455 0.1818182 -0.2727273), wk = 0.0015026 k( 577) = ( 0.4545455 0.1818182 -0.1818182), wk = 0.0015026 k( 578) = ( 0.4545455 0.1818182 -0.0909091), wk = 0.0015026 k( 579) = ( 0.4545455 0.2727273 0.0000000), wk = 0.0015026 k( 580) = ( 0.4545455 0.2727273 0.0909091), wk = 0.0015026 k( 581) = ( 0.4545455 0.2727273 0.1818182), wk = 0.0015026 k( 582) = ( 0.4545455 0.2727273 0.2727273), wk = 0.0015026 k( 583) = ( 0.4545455 0.2727273 0.3636364), wk = 0.0015026 k( 584) = ( 0.4545455 0.2727273 0.4545455), wk = 0.0015026 k( 585) = ( 0.4545455 0.2727273 -0.4545455), wk = 0.0015026 k( 586) = ( 0.4545455 0.2727273 -0.3636364), wk = 0.0015026 k( 587) = ( 0.4545455 0.2727273 -0.2727273), wk = 0.0015026 k( 588) = ( 0.4545455 0.2727273 -0.1818182), wk = 0.0015026 k( 589) = ( 0.4545455 0.2727273 -0.0909091), wk = 0.0015026 k( 590) = ( 0.4545455 0.3636364 0.0000000), wk = 0.0015026 k( 591) = ( 0.4545455 0.3636364 0.0909091), wk = 0.0015026 k( 592) = ( 0.4545455 0.3636364 0.1818182), wk = 0.0015026 k( 593) = ( 0.4545455 0.3636364 0.2727273), wk = 0.0015026 k( 594) = ( 0.4545455 0.3636364 0.3636364), wk = 0.0015026 k( 595) = ( 0.4545455 0.3636364 0.4545455), wk = 0.0015026 k( 596) = ( 0.4545455 0.3636364 -0.4545455), wk = 0.0015026 k( 597) = ( 0.4545455 0.3636364 -0.3636364), wk = 0.0015026 k( 598) = ( 0.4545455 0.3636364 -0.2727273), wk = 0.0015026 k( 599) = ( 0.4545455 0.3636364 -0.1818182), wk = 0.0015026 k( 600) = ( 0.4545455 0.3636364 -0.0909091), wk = 0.0015026 k( 601) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0015026 k( 602) = ( 0.4545455 0.4545455 0.0909091), wk = 0.0015026 k( 603) = ( 0.4545455 0.4545455 0.1818182), wk = 0.0015026 k( 604) = ( 0.4545455 0.4545455 0.2727273), wk = 0.0015026 k( 605) = ( 0.4545455 0.4545455 0.3636364), wk = 0.0015026 k( 606) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0015026 k( 607) = ( 0.4545455 0.4545455 -0.4545455), wk = 0.0015026 k( 608) = ( 0.4545455 0.4545455 -0.3636364), wk = 0.0015026 k( 609) = ( 0.4545455 0.4545455 -0.2727273), wk = 0.0015026 k( 610) = ( 0.4545455 0.4545455 -0.1818182), wk = 0.0015026 k( 611) = ( 0.4545455 0.4545455 -0.0909091), wk = 0.0015026 k( 612) = ( 0.4545455 -0.4545455 -0.0000000), wk = 0.0015026 k( 613) = ( 0.4545455 -0.4545455 0.0909091), wk = 0.0015026 k( 614) = ( 0.4545455 -0.4545455 0.1818182), wk = 0.0015026 k( 615) = ( 0.4545455 -0.4545455 0.2727273), wk = 0.0015026 k( 616) = ( 0.4545455 -0.4545455 0.3636364), wk = 0.0015026 k( 617) = ( 0.4545455 -0.4545455 0.4545455), wk = 0.0015026 k( 618) = ( 0.4545455 -0.4545455 -0.4545455), wk = 0.0015026 k( 619) = ( 0.4545455 -0.4545455 -0.3636364), wk = 0.0015026 k( 620) = ( 0.4545455 -0.4545455 -0.2727273), wk = 0.0015026 k( 621) = ( 0.4545455 -0.4545455 -0.1818182), wk = 0.0015026 k( 622) = ( 0.4545455 -0.4545455 -0.0909091), wk = 0.0015026 k( 623) = ( 0.4545455 -0.3636364 -0.0000000), wk = 0.0015026 k( 624) = ( 0.4545455 -0.3636364 0.0909091), wk = 0.0015026 k( 625) = ( 0.4545455 -0.3636364 0.1818182), wk = 0.0015026 k( 626) = ( 0.4545455 -0.3636364 0.2727273), wk = 0.0015026 k( 627) = ( 0.4545455 -0.3636364 0.3636364), wk = 0.0015026 k( 628) = ( 0.4545455 -0.3636364 0.4545455), wk = 0.0015026 k( 629) = ( 0.4545455 -0.3636364 -0.4545455), wk = 0.0015026 k( 630) = ( 0.4545455 -0.3636364 -0.3636364), wk = 0.0015026 k( 631) = ( 0.4545455 -0.3636364 -0.2727273), wk = 0.0015026 k( 632) = ( 0.4545455 -0.3636364 -0.1818182), wk = 0.0015026 k( 633) = ( 0.4545455 -0.3636364 -0.0909091), wk = 0.0015026 k( 634) = ( 0.4545455 -0.2727273 -0.0000000), wk = 0.0015026 k( 635) = ( 0.4545455 -0.2727273 0.0909091), wk = 0.0015026 k( 636) = ( 0.4545455 -0.2727273 0.1818182), wk = 0.0015026 k( 637) = ( 0.4545455 -0.2727273 0.2727273), wk = 0.0015026 k( 638) = ( 0.4545455 -0.2727273 0.3636364), wk = 0.0015026 k( 639) = ( 0.4545455 -0.2727273 0.4545455), wk = 0.0015026 k( 640) = ( 0.4545455 -0.2727273 -0.4545455), wk = 0.0015026 k( 641) = ( 0.4545455 -0.2727273 -0.3636364), wk = 0.0015026 k( 642) = ( 0.4545455 -0.2727273 -0.2727273), wk = 0.0015026 k( 643) = ( 0.4545455 -0.2727273 -0.1818182), wk = 0.0015026 k( 644) = ( 0.4545455 -0.2727273 -0.0909091), wk = 0.0015026 k( 645) = ( 0.4545455 -0.1818182 -0.0000000), wk = 0.0015026 k( 646) = ( 0.4545455 -0.1818182 0.0909091), wk = 0.0015026 k( 647) = ( 0.4545455 -0.1818182 0.1818182), wk = 0.0015026 k( 648) = ( 0.4545455 -0.1818182 0.2727273), wk = 0.0015026 k( 649) = ( 0.4545455 -0.1818182 0.3636364), wk = 0.0015026 k( 650) = ( 0.4545455 -0.1818182 0.4545455), wk = 0.0015026 k( 651) = ( 0.4545455 -0.1818182 -0.4545455), wk = 0.0015026 k( 652) = ( 0.4545455 -0.1818182 -0.3636364), wk = 0.0015026 k( 653) = ( 0.4545455 -0.1818182 -0.2727273), wk = 0.0015026 k( 654) = ( 0.4545455 -0.1818182 -0.1818182), wk = 0.0015026 k( 655) = ( 0.4545455 -0.1818182 -0.0909091), wk = 0.0015026 k( 656) = ( 0.4545455 -0.0909091 -0.0000000), wk = 0.0015026 k( 657) = ( 0.4545455 -0.0909091 0.0909091), wk = 0.0015026 k( 658) = ( 0.4545455 -0.0909091 0.1818182), wk = 0.0015026 k( 659) = ( 0.4545455 -0.0909091 0.2727273), wk = 0.0015026 k( 660) = ( 0.4545455 -0.0909091 0.3636364), wk = 0.0015026 k( 661) = ( 0.4545455 -0.0909091 0.4545455), wk = 0.0015026 k( 662) = ( 0.4545455 -0.0909091 -0.4545455), wk = 0.0015026 k( 663) = ( 0.4545455 -0.0909091 -0.3636364), wk = 0.0015026 k( 664) = ( 0.4545455 -0.0909091 -0.2727273), wk = 0.0015026 k( 665) = ( 0.4545455 -0.0909091 -0.1818182), wk = 0.0015026 k( 666) = ( 0.4545455 -0.0909091 -0.0909091), wk = 0.0015026 Dense grid: 13815 G-vectors FFT dimensions: ( 45, 40, 27) Smooth grid: 6127 G-vectors FFT dimensions: ( 36, 32, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 48, 20) NL pseudopotentials 0.01 Mb ( 24, 28) Each V/rho on FFT grid 0.03 Mb ( 1800) Each G-vector array 0.00 Mb ( 384) G-vector shells 0.00 Mb ( 363) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 48, 80) Each subspace H/S matrix 0.01 Mb ( 20, 20) Each matrix 0.02 Mb ( 28, 2, 20) Arrays for rho mixing 0.22 Mb ( 1800, 8) Check: negative/imaginary core charge= -0.000006 0.000000 Initial potential from superposition of free atoms starting charge 12.00000, renormalised to 12.00000 Starting wfc are 16 randomized atomic wfcs + 4 random wfc total cpu time spent up to now is 4.1 secs per-process dynamical memory: 15.3 Mb Self-consistent Calculation iteration # 1 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 5.2 Threshold (ethr) on eigenvalues was too large: Diagonalizing with lowered threshold Davidson diagonalization with overlap ethr = 4.63E-04, avg # of iterations = 2.6 total cpu time spent up to now is 31.6 secs total energy = -64.47341613 Ry Harris-Foulkes estimate = -64.50684115 Ry estimated scf accuracy < 0.05543842 Ry iteration # 2 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 4.62E-04, avg # of iterations = 2.1 total cpu time spent up to now is 41.1 secs total energy = -64.48176747 Ry Harris-Foulkes estimate = -64.48176856 Ry estimated scf accuracy < 0.00097006 Ry iteration # 3 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 8.08E-06, avg # of iterations = 4.0 total cpu time spent up to now is 58.9 secs total energy = -64.48400880 Ry Harris-Foulkes estimate = -64.48425902 Ry estimated scf accuracy < 0.00040589 Ry iteration # 4 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 3.38E-06, avg # of iterations = 3.0 total cpu time spent up to now is 70.7 secs total energy = -64.48409680 Ry Harris-Foulkes estimate = -64.48410878 Ry estimated scf accuracy < 0.00003093 Ry iteration # 5 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.58E-07, avg # of iterations = 2.8 total cpu time spent up to now is 81.8 secs total energy = -64.48410393 Ry Harris-Foulkes estimate = -64.48410651 Ry estimated scf accuracy < 0.00000422 Ry iteration # 6 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 3.51E-08, avg # of iterations = 2.9 total cpu time spent up to now is 93.8 secs total energy = -64.48410537 Ry Harris-Foulkes estimate = -64.48410537 Ry estimated scf accuracy < 0.00000002 Ry iteration # 7 ecut= 47.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.59E-10, avg # of iterations = 3.6 total cpu time spent up to now is 108.3 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 775 PWs) bands (ev): -25.1127 -25.1127 -10.3460 -10.3460 -5.9914 -5.9914 -2.9363 -2.9363 -2.6149 -2.6149 4.2689 4.2689 4.8364 4.8364 13.0960 13.0960 15.9979 15.9979 19.1677 19.1677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.1579 ( 768 PWs) bands (ev): -25.0729 -25.0729 -10.3525 -10.3525 -5.9043 -5.9043 -3.0633 -3.0633 -2.7008 -2.7008 4.1510 4.1510 4.7520 4.7520 13.3666 13.3666 16.0114 16.0114 19.0998 19.0998 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.3158 ( 769 PWs) bands (ev): -24.9646 -24.9646 -10.3605 -10.3605 -5.7026 -5.7026 -3.4821 -3.4821 -2.8025 -2.8025 3.7366 3.7366 4.6475 4.6475 13.9987 13.9987 16.0721 16.0721 19.1211 19.1211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0762 0.0762 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.4737 ( 769 PWs) bands (ev): -24.8191 -24.8191 -10.3514 -10.3514 -5.5565 -5.5565 -3.9408 -3.9408 -2.8786 -2.8786 3.1497 3.1497 4.6067 4.6067 14.4857 14.4857 16.4032 16.4032 19.4570 19.4570 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.6316 ( 770 PWs) bands (ev): -24.6812 -24.6812 -10.3248 -10.3248 -5.6353 -5.6353 -4.1426 -4.1426 -2.9409 -2.9409 2.6360 2.6360 4.5961 4.5961 14.5552 14.5552 17.0698 17.0698 19.8129 19.8129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.7895 ( 769 PWs) bands (ev): -24.5973 -24.5973 -10.3008 -10.3008 -5.7914 -5.7914 -4.1526 -4.1526 -2.9779 -2.9779 2.3505 2.3505 4.5956 4.5956 14.5018 14.5018 17.6125 17.6125 19.2898 19.2898 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1552 0.0293 ( 768 PWs) bands (ev): -25.0729 -25.0729 -10.3525 -10.3525 -5.9043 -5.9043 -3.0633 -3.0633 -2.7008 -2.7008 4.1510 4.1510 4.7520 4.7520 13.3666 13.3666 16.0114 16.0114 19.0998 19.0998 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1552 0.1872 ( 772 PWs) bands (ev): -25.0203 -25.0203 -10.2769 -10.2769 -5.9166 -5.9166 -3.2002 -3.2002 -2.8451 -2.8451 3.9415 3.9415 4.5905 4.5905 13.8824 13.8824 16.0025 16.0025 19.4218 19.4218 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1552 0.3451 ( 769 PWs) bands (ev): -24.9054 -24.9054 -10.2292 -10.2292 -5.8018 -5.8018 -3.5372 -3.5372 -3.0285 -3.0285 3.5402 3.5402 4.3750 4.3750 14.6529 14.6529 16.0235 16.0235 19.7105 19.7105 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1552 0.5030 ( 770 PWs) bands (ev): -24.7619 -24.7619 -10.2094 -10.2094 -5.6971 -5.6971 -3.9363 -3.9363 -3.1080 -3.1080 2.9927 2.9927 4.2920 4.2920 15.0173 15.0173 16.4219 16.4219 20.0724 20.0724 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1552 0.6609 ( 771 PWs) bands (ev): -24.6349 -24.6349 -10.2177 -10.2177 -5.7264 -5.7264 -4.1222 -4.1222 -3.1339 -3.1339 2.5391 2.5391 4.3125 4.3125 14.8587 14.8587 17.1608 17.1608 19.9058 19.9058 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1552 0.8188 ( 767 PWs) bands (ev): -24.5674 -24.5674 -10.2616 -10.2616 -5.7789 -5.7789 -4.1258 -4.1258 -3.1266 -3.1266 2.3420 2.3420 4.3850 4.3850 14.6157 14.6157 17.8309 17.8309 19.2302 19.2302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1552-0.7602 ( 765 PWs) bands (ev): -24.5837 -24.5837 -10.3398 -10.3398 -5.6755 -5.6755 -4.1027 -4.1027 -3.0913 -3.0913 2.4448 2.4448 4.4672 4.4672 14.4311 14.4311 17.9874 17.9874 19.0127 19.0127 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1552-0.6023 ( 770 PWs) bands (ev): -24.6778 -24.6778 -10.4281 -10.4281 -5.4291 -5.4291 -4.0799 -4.0799 -3.0322 -3.0322 2.8179 2.8179 4.5289 4.5289 14.3123 14.3123 17.2001 17.2001 19.5130 19.5130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1552-0.4444 ( 762 PWs) bands (ev): -24.8165 -24.8165 -10.4878 -10.4878 -5.3044 -5.3044 -3.8711 -3.8711 -2.9690 -2.9690 3.3771 3.3771 4.5551 4.5551 14.1292 14.1292 16.4266 16.4266 19.0077 19.0077 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1552-0.2865 ( 766 PWs) bands (ev): -24.9541 -24.9541 -10.4906 -10.4906 -5.4714 -5.4714 -3.4003 -3.4003 -2.9235 -2.9235 3.9508 3.9508 4.5607 4.5607 13.7259 13.7259 16.0792 16.0792 18.7013 18.7013 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1552-0.1286 ( 771 PWs) bands (ev): -25.0486 -25.0486 -10.4361 -10.4361 -5.7310 -5.7310 -3.0508 -3.0508 -2.8266 -2.8266 4.2231 4.2231 4.6649 4.6649 13.3485 13.3485 16.0206 16.0206 18.7660 18.7660 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3103 0.0585 ( 769 PWs) bands (ev): -24.9646 -24.9646 -10.3605 -10.3605 -5.7026 -5.7026 -3.4821 -3.4821 -2.8025 -2.8025 3.7366 3.7366 4.6475 4.6475 13.9987 13.9987 16.0721 16.0721 19.1211 19.1211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0762 0.0762 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3103 0.2164 ( 769 PWs) bands (ev): -24.9054 -24.9054 -10.2292 -10.2292 -5.8018 -5.8018 -3.5372 -3.5372 -3.0285 -3.0285 3.5402 3.5402 4.3750 4.3750 14.6529 14.6529 16.0235 16.0235 19.7105 19.7105 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3103 0.3743 ( 762 PWs) bands (ev): -24.7933 -24.7933 -10.1388 -10.1388 -5.7666 -5.7666 -3.5529 -3.5529 -3.4706 -3.4706 3.3530 3.3530 3.9160 3.9160 15.5209 15.5209 15.8795 15.8795 20.3931 20.3931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3103 0.5322 ( 769 PWs) bands (ev): -24.6616 -24.6616 -10.1082 -10.1082 -5.6789 -5.6789 -3.9507 -3.9507 -3.4771 -3.4771 2.9721 2.9721 3.7056 3.7056 15.5069 15.5069 16.4777 16.4777 20.9523 20.9523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4458 0.4458 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3103 0.6901 ( 765 PWs) bands (ev): -24.5523 -24.5523 -10.1406 -10.1406 -5.6435 -5.6435 -4.1876 -4.1876 -3.4001 -3.4001 2.5548 2.5548 3.7857 3.7857 15.1171 15.1171 17.2462 17.2462 20.4244 20.4244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0022 0.0022 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3103 0.8480 ( 765 PWs) bands (ev): -24.5027 -24.5027 -10.2317 -10.2317 -5.6258 -5.6258 -4.1757 -4.1757 -3.3393 -3.3393 2.3885 2.3885 3.9569 3.9569 14.7266 14.7266 17.8767 17.8767 19.5228 19.5228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3103-0.7310 ( 765 PWs) bands (ev): -24.5303 -24.5303 -10.3617 -10.3617 -5.4847 -5.4847 -4.0656 -4.0656 -3.3127 -3.3127 2.5371 2.5371 4.1241 4.1241 14.3974 14.3974 18.0052 18.0052 18.9353 18.9353 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3103-0.5731 ( 766 PWs) bands (ev): -24.6253 -24.6253 -10.4902 -10.4902 -5.2168 -5.2168 -3.9604 -3.9604 -3.3017 -3.3017 2.9573 2.9573 4.2266 4.2266 14.1495 14.1495 17.1699 17.1699 19.0223 19.0223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3103-0.4152 ( 761 PWs) bands (ev): -24.7549 -24.7549 -10.5703 -10.5703 -5.0553 -5.0553 -3.7517 -3.7517 -3.2966 -3.2966 3.5444 3.5444 4.2314 4.2314 13.9493 13.9493 16.4700 16.4700 18.7838 18.7838 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3103-0.2573 ( 772 PWs) bands (ev): -24.8768 -24.8768 -10.5707 -10.5707 -5.1961 -5.1961 -3.3567 -3.3567 -3.2945 -3.2945 4.1173 4.1173 4.1562 4.1562 13.7707 13.7707 16.1485 16.1485 18.5948 18.5948 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3103-0.0994 ( 766 PWs) bands (ev): -24.9541 -24.9541 -10.4906 -10.4906 -5.4714 -5.4714 -3.4003 -3.4003 -2.9235 -2.9235 3.9508 3.9508 4.5607 4.5607 13.7259 13.7259 16.0792 16.0792 18.7013 18.7013 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4655 0.0878 ( 769 PWs) bands (ev): -24.8191 -24.8191 -10.3514 -10.3514 -5.5565 -5.5565 -3.9408 -3.9408 -2.8786 -2.8786 3.1497 3.1497 4.6067 4.6067 14.4857 14.4857 16.4032 16.4032 19.4570 19.4570 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4655 0.2457 ( 770 PWs) bands (ev): -24.7619 -24.7619 -10.2094 -10.2094 -5.6971 -5.6971 -3.9363 -3.9363 -3.1080 -3.1080 2.9927 2.9927 4.2920 4.2920 15.0173 15.0173 16.4219 16.4219 20.0724 20.0724 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4655 0.4036 ( 769 PWs) bands (ev): -24.6616 -24.6616 -10.1082 -10.1082 -5.6789 -5.6789 -3.9507 -3.9507 -3.4771 -3.4771 2.9721 2.9721 3.7056 3.7056 15.5069 15.5069 16.4777 16.4777 20.9523 20.9523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4458 0.4458 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4655 0.5615 ( 776 PWs) bands (ev): -24.5485 -24.5485 -10.0740 -10.0740 -5.5291 -5.5291 -4.2990 -4.2990 -3.5063 -3.5063 3.0157 3.0157 3.1389 3.1389 15.5313 15.5313 16.7514 16.7514 21.7193 21.7266 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4655 0.7194 ( 766 PWs) bands (ev): -24.4587 -24.4587 -10.1121 -10.1121 -5.3862 -5.3862 -4.5861 -4.5861 -3.3831 -3.3831 2.5192 2.5192 3.3746 3.3746 15.2001 15.2001 17.0528 17.0528 20.9159 20.9159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4655 0.8773 ( 759 PWs) bands (ev): -24.4227 -24.4227 -10.2138 -10.2138 -5.3943 -5.3943 -4.4812 -4.4812 -3.3013 -3.3013 2.2940 2.2940 3.6694 3.6694 14.7780 14.7780 17.1048 17.1048 20.1626 20.1626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9201 0.9201 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4655-0.7017 ( 756 PWs) bands (ev): -24.4531 -24.4531 -10.3533 -10.3533 -5.3419 -5.3419 -4.2139 -4.2139 -3.3081 -3.3081 2.4075 2.4075 3.9073 3.9073 14.3775 14.3775 16.8871 16.8871 19.5640 19.5640 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4655-0.5438 ( 759 PWs) bands (ev): -24.5393 -24.5393 -10.4875 -10.4875 -5.1468 -5.1468 -3.9707 -3.9707 -3.4008 -3.4008 2.8033 2.8033 4.0254 4.0254 14.0746 14.0746 16.6235 16.6235 19.1452 19.1452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4655-0.3859 ( 765 PWs) bands (ev): -24.6521 -24.6521 -10.5699 -10.5699 -4.9809 -4.9809 -3.7480 -3.7480 -3.5127 -3.5127 3.3187 3.3187 4.0451 4.0451 13.9272 13.9272 16.5002 16.5002 18.8603 18.8603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4655-0.2280 ( 761 PWs) bands (ev): -24.7549 -24.7549 -10.5703 -10.5703 -5.0553 -5.0553 -3.7517 -3.7517 -3.2966 -3.2966 3.5444 3.5444 4.2314 4.2314 13.9493 13.9493 16.4700 16.4700 18.7838 18.7838 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4655-0.0701 ( 762 PWs) bands (ev): -24.8165 -24.8165 -10.4878 -10.4878 -5.3044 -5.3044 -3.8711 -3.8711 -2.9690 -2.9690 3.3771 3.3771 4.5551 4.5551 14.1292 14.1292 16.4266 16.4266 19.0077 19.0077 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6207 0.1170 ( 770 PWs) bands (ev): -24.6812 -24.6812 -10.3248 -10.3248 -5.6353 -5.6353 -4.1426 -4.1426 -2.9409 -2.9409 2.6360 2.6360 4.5961 4.5961 14.5552 14.5552 17.0698 17.0698 19.8129 19.8129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6207 0.2749 ( 771 PWs) bands (ev): -24.6349 -24.6349 -10.2177 -10.2177 -5.7264 -5.7264 -4.1222 -4.1222 -3.1339 -3.1339 2.5391 2.5391 4.3125 4.3125 14.8587 14.8587 17.1608 17.1608 19.9058 19.9058 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6207 0.4328 ( 765 PWs) bands (ev): -24.5523 -24.5523 -10.1406 -10.1406 -5.6435 -5.6435 -4.1876 -4.1876 -3.4001 -3.4001 2.5548 2.5548 3.7857 3.7857 15.1171 15.1171 17.2462 17.2462 20.4244 20.4244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0022 0.0022 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6207 0.5907 ( 766 PWs) bands (ev): -24.4587 -24.4587 -10.1121 -10.1121 -5.3862 -5.3862 -4.5861 -4.5861 -3.3831 -3.3831 2.5192 2.5192 3.3746 3.3746 15.2001 15.2001 17.0528 17.0528 20.9159 20.9159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6207 0.7486 ( 754 PWs) bands (ev): -24.3837 -24.3837 -10.1367 -10.1367 -5.0547 -5.0547 -5.0035 -5.0035 -3.2491 -3.2491 2.1944 2.1944 3.4731 3.4731 15.0720 15.0720 16.5900 16.5900 20.7335 20.7335 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6207 0.9065 ( 750 PWs) bands (ev): -24.3525 -24.3525 -10.2101 -10.2101 -5.3409 -5.3409 -4.6134 -4.6134 -3.1632 -3.1632 1.9637 1.9637 3.7512 3.7512 14.7692 14.7692 16.0991 16.0991 20.3343 20.3343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0275 0.0275 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6207-0.6725 ( 754 PWs) bands (ev): -24.3760 -24.3760 -10.3157 -10.3157 -5.3986 -5.3986 -4.2969 -4.2969 -3.1738 -3.1738 2.0352 2.0352 3.9547 3.9547 14.3916 14.3916 15.9028 15.9028 19.8956 19.8956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6207-0.5146 ( 758 PWs) bands (ev): -24.4462 -24.4462 -10.4209 -10.4209 -5.2719 -5.2719 -4.1027 -4.1027 -3.2776 -3.2776 2.3798 2.3798 4.0157 4.0157 14.1363 14.1363 16.0985 16.0985 19.4879 19.4879 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6207-0.3567 ( 759 PWs) bands (ev): -24.5393 -24.5393 -10.4875 -10.4875 -5.1468 -5.1468 -3.9707 -3.9707 -3.4008 -3.4008 2.8033 2.8033 4.0254 4.0254 14.0746 14.0746 16.6235 16.6235 19.1452 19.1452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6207-0.1988 ( 766 PWs) bands (ev): -24.6253 -24.6253 -10.4902 -10.4902 -5.2168 -5.2168 -3.9604 -3.9604 -3.3017 -3.3017 2.9573 2.9573 4.2266 4.2266 14.1495 14.1495 17.1699 17.1699 19.0223 19.0223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6207-0.0409 ( 770 PWs) bands (ev): -24.6778 -24.6778 -10.4281 -10.4281 -5.4291 -5.4291 -4.0799 -4.0799 -3.0322 -3.0322 2.8179 2.8179 4.5289 4.5289 14.3123 14.3123 17.2001 17.2001 19.5130 19.5130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7758 0.1463 ( 769 PWs) bands (ev): -24.5973 -24.5973 -10.3008 -10.3008 -5.7914 -5.7914 -4.1526 -4.1526 -2.9779 -2.9779 2.3505 2.3505 4.5956 4.5956 14.5018 14.5018 17.6125 17.6125 19.2898 19.2898 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7758 0.3042 ( 767 PWs) bands (ev): -24.5674 -24.5674 -10.2616 -10.2616 -5.7789 -5.7789 -4.1258 -4.1258 -3.1266 -3.1266 2.3420 2.3420 4.3850 4.3850 14.6157 14.6157 17.8309 17.8309 19.2302 19.2302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7758 0.4621 ( 765 PWs) bands (ev): -24.5027 -24.5027 -10.2317 -10.2317 -5.6258 -5.6258 -4.1757 -4.1757 -3.3393 -3.3393 2.3885 2.3885 3.9569 3.9569 14.7266 14.7266 17.8767 17.8767 19.5228 19.5228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7758 0.6200 ( 759 PWs) bands (ev): -24.4227 -24.4227 -10.2138 -10.2138 -5.3943 -5.3943 -4.4812 -4.4812 -3.3013 -3.3013 2.2940 2.2940 3.6694 3.6694 14.7780 14.7780 17.1048 17.1048 20.1626 20.1626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9201 0.9201 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.7758 0.7779 ( 750 PWs) bands (ev): -24.3525 -24.3525 -10.2101 -10.2101 -5.3409 -5.3409 -4.6134 -4.6134 -3.1632 -3.1632 1.9637 1.9637 3.7512 3.7512 14.7692 14.7692 16.0991 16.0991 20.3343 20.3343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0275 0.0275 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.7758 0.9358 ( 754 PWs) bands (ev): -24.3154 -24.3154 -10.2270 -10.2270 -5.4943 -5.4943 -4.4349 -4.4349 -3.0770 -3.0770 1.7119 1.7119 3.9394 3.9394 14.7251 14.7251 15.3464 15.3464 20.2909 20.2909 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7758-0.6432 ( 757 PWs) bands (ev): -24.3243 -24.3243 -10.2662 -10.2662 -5.5192 -5.5192 -4.3104 -4.3104 -3.0815 -3.0815 1.7383 1.7383 4.0173 4.0173 14.5255 14.5255 15.3191 15.3191 20.1308 20.1308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7758-0.4853 ( 754 PWs) bands (ev): -24.3760 -24.3760 -10.3157 -10.3157 -5.3986 -5.3986 -4.2969 -4.2969 -3.1738 -3.1738 2.0352 2.0352 3.9547 3.9547 14.3916 14.3916 15.9028 15.9028 19.8956 19.8956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7758-0.3274 ( 756 PWs) bands (ev): -24.4531 -24.4531 -10.3533 -10.3533 -5.3419 -5.3419 -4.2139 -4.2139 -3.3081 -3.3081 2.4075 2.4075 3.9073 3.9073 14.3775 14.3775 16.8871 16.8871 19.5640 19.5640 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7758-0.1695 ( 765 PWs) bands (ev): -24.5303 -24.5303 -10.3617 -10.3617 -5.4847 -5.4847 -4.0656 -4.0656 -3.3127 -3.3127 2.5371 2.5371 4.1241 4.1241 14.3974 14.3974 18.0052 18.0052 18.9353 18.9353 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7758-0.0116 ( 765 PWs) bands (ev): -24.5837 -24.5837 -10.3398 -10.3398 -5.6755 -5.6755 -4.1027 -4.1027 -3.0913 -3.0913 2.4448 2.4448 4.4672 4.4672 14.4311 14.4311 17.9874 17.9874 19.0127 19.0127 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1111-0.0658 ( 768 PWs) bands (ev): -25.0729 -25.0729 -10.3525 -10.3525 -5.9043 -5.9043 -3.0633 -3.0633 -2.7008 -2.7008 4.1510 4.1510 4.7520 4.7520 13.3666 13.3666 16.0114 16.0114 19.0998 19.0998 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1111 0.0921 ( 771 PWs) bands (ev): -25.0560 -25.0560 -10.2809 -10.2809 -5.9490 -5.9490 -3.0320 -3.0320 -2.8269 -2.8269 4.1780 4.1780 4.6658 4.6658 13.4705 13.4705 16.0357 16.0357 19.2662 19.2662 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1111 0.2500 ( 771 PWs) bands (ev): -24.9674 -24.9674 -10.2298 -10.2298 -5.8415 -5.8415 -3.3733 -3.3733 -2.9188 -2.9188 3.8775 3.8775 4.5570 4.5570 14.0125 14.0125 16.0814 16.0814 19.3361 19.3361 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1111 0.4079 ( 763 PWs) bands (ev): -24.8321 -24.8321 -10.2023 -10.2023 -5.6955 -5.6955 -3.8514 -3.8514 -2.9682 -2.9682 3.2929 3.2929 4.5444 4.5444 14.6432 14.6432 16.2538 16.2538 19.5581 19.5581 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1111 0.5658 ( 768 PWs) bands (ev): -24.6913 -24.6913 -10.1944 -10.1944 -5.6844 -5.6844 -4.1146 -4.1146 -3.0472 -3.0472 2.7394 2.7394 4.5265 4.5265 14.8468 14.8468 16.8403 16.8403 20.1170 20.1178 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1111 0.7237 ( 769 PWs) bands (ev): -24.5914 -24.5914 -10.2125 -10.2125 -5.7708 -5.7708 -4.1495 -4.1495 -3.1302 -3.1302 2.4103 2.4103 4.4853 4.4853 14.7107 14.7107 17.5966 17.5966 19.3055 19.3055 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1111-0.8553 ( 766 PWs) bands (ev): -24.5673 -24.5673 -10.2653 -10.2653 -5.7402 -5.7402 -4.1436 -4.1436 -3.1837 -3.1837 2.3789 2.3789 4.4296 4.4296 14.5292 14.5292 17.9470 17.9470 19.1202 19.1202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1111-0.6974 ( 764 PWs) bands (ev): -24.6276 -24.6276 -10.3433 -10.3433 -5.5433 -5.5433 -4.1413 -4.1413 -3.1909 -3.1909 2.6302 2.6302 4.3774 4.3774 14.4257 14.4257 17.5744 17.5744 19.6734 19.6734 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1111-0.5395 ( 772 PWs) bands (ev): -24.7506 -24.7506 -10.4148 -10.4148 -5.3814 -5.3814 -3.9921 -3.9921 -3.1498 -3.1498 3.0937 3.0937 4.3570 4.3570 14.3903 14.3903 16.8743 16.8743 19.6367 19.6367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1111-0.3816 ( 771 PWs) bands (ev): -24.8943 -24.8943 -10.4447 -10.4447 -5.4775 -5.4775 -3.5894 -3.5894 -3.0491 -3.0491 3.6201 3.6201 4.4168 4.4168 14.2114 14.2114 16.2396 16.2396 19.1682 19.1682 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1111-0.2237 ( 770 PWs) bands (ev): -25.0134 -25.0134 -10.4186 -10.4186 -5.7127 -5.7127 -3.2248 -3.2248 -2.8503 -2.8503 3.9855 3.9855 4.6042 4.6042 13.7306 13.7306 16.0207 16.0207 18.9807 18.9807 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0441-0.0366 ( 769 PWs) bands (ev): -25.1049 -25.1049 -10.5068 -10.5068 -5.7645 -5.7645 -2.9544 -2.9544 -2.6171 -2.6171 4.3120 4.3120 4.8422 4.8422 12.9911 12.9911 15.9575 15.9575 18.6273 18.6273 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0441 0.1213 ( 768 PWs) bands (ev): -25.0729 -25.0729 -10.3525 -10.3525 -5.9043 -5.9043 -3.0633 -3.0633 -2.7008 -2.7008 4.1510 4.1510 4.7520 4.7520 13.3666 13.3666 16.0114 16.0114 19.0998 19.0998 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0441 0.2792 ( 777 PWs) bands (ev): -24.9712 -24.9712 -10.2247 -10.2247 -5.8963 -5.8963 -3.4609 -3.4609 -2.7968 -2.7968 3.6944 3.6944 4.6364 4.6364 14.1763 14.1763 16.0175 16.0175 19.5331 19.5331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.6469 0.6469 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0441 0.4371 ( 761 PWs) bands (ev): -24.8290 -24.8290 -10.1574 -10.1574 -5.8336 -5.8336 -3.9032 -3.9032 -2.8660 -2.8660 3.0699 3.0699 4.5835 4.5835 15.0234 15.0234 16.0436 16.0436 19.9293 19.9293 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0441 0.5950 ( 763 PWs) bands (ev): -24.6902 -24.6902 -10.1606 -10.1606 -5.8549 -5.8549 -4.1139 -4.1139 -2.9254 -2.9254 2.5376 2.5376 4.5709 4.5709 15.1529 15.1529 16.5791 16.5791 19.9011 19.9011 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0441 0.7529 ( 767 PWs) bands (ev): -24.6011 -24.6011 -10.2337 -10.2337 -5.8982 -5.8982 -4.1105 -4.1105 -2.9672 -2.9672 2.2801 2.2801 4.5826 4.5826 14.8214 14.8214 17.3091 17.3091 19.2501 19.2501 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0441-0.8261 ( 765 PWs) bands (ev): -24.5932 -24.5932 -10.3642 -10.3642 -5.7777 -5.7777 -4.0728 -4.0728 -2.9792 -2.9792 2.3525 2.3525 4.6053 4.6053 14.4509 14.4509 17.7115 17.7115 18.9704 18.9704 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0441-0.6682 ( 768 PWs) bands (ev): -24.6694 -24.6694 -10.5163 -10.5163 -5.4576 -5.4576 -4.0684 -4.0684 -2.9538 -2.9538 2.7097 2.7097 4.6277 4.6277 14.1700 14.1700 17.2630 17.2630 19.5960 19.5960 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0441-0.5103 ( 770 PWs) bands (ev): -24.8021 -24.8021 -10.6374 -10.6374 -5.1614 -5.1614 -3.9584 -3.9584 -2.8960 -2.8960 3.2561 3.2561 4.6474 4.6474 13.9599 13.9599 16.4634 16.4634 19.1341 19.1341 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0441-0.3524 ( 769 PWs) bands (ev): -24.9469 -24.9469 -10.6822 -10.6822 -5.2235 -5.2235 -3.5340 -3.5340 -2.8163 -2.8163 3.8405 3.8405 4.6789 4.6789 13.6180 13.6180 15.9330 15.9330 18.6150 18.6150 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0441-0.1945 ( 769 PWs) bands (ev): -25.0586 -25.0586 -10.6326 -10.6326 -5.4993 -5.4993 -3.1002 -3.1002 -2.7065 -2.7065 4.2333 4.2333 4.7654 4.7654 13.1537 13.1537 15.8729 15.8729 18.4090 18.4090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1993-0.0073 ( 769 PWs) bands (ev): -25.0586 -25.0586 -10.6326 -10.6326 -5.4993 -5.4993 -3.1002 -3.1002 -2.7065 -2.7065 4.2333 4.2333 4.7654 4.7654 13.1537 13.1537 15.8729 15.8729 18.4090 18.4090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1993 0.1506 ( 770 PWs) bands (ev): -25.0134 -25.0134 -10.4186 -10.4186 -5.7127 -5.7127 -3.2248 -3.2248 -2.8503 -2.8503 3.9855 3.9855 4.6042 4.6042 13.7306 13.7306 16.0207 16.0207 18.9807 18.9807 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1993 0.3085 ( 769 PWs) bands (ev): -24.9054 -24.9054 -10.2292 -10.2292 -5.8018 -5.8018 -3.5372 -3.5372 -3.0285 -3.0285 3.5402 3.5402 4.3750 4.3750 14.6529 14.6529 16.0235 16.0235 19.7105 19.7105 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1993 0.4664 ( 768 PWs) bands (ev): -24.7661 -24.7661 -10.1258 -10.1258 -5.8268 -5.8268 -3.9073 -3.9073 -3.0911 -3.0911 2.9480 2.9480 4.2671 4.2671 15.6403 15.6403 15.8413 15.8413 20.3280 20.3280 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1993 0.6243 ( 772 PWs) bands (ev): -24.6392 -24.6392 -10.1357 -10.1357 -5.8728 -5.8728 -4.0697 -4.0697 -3.0944 -3.0944 2.4589 2.4589 4.2713 4.2713 15.4258 15.4258 16.5770 16.5770 20.1117 20.1117 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1993 0.7822 ( 766 PWs) bands (ev): -24.5675 -24.5675 -10.2535 -10.2535 -5.8703 -5.8703 -4.0384 -4.0384 -3.0696 -3.0696 2.2618 2.2618 4.3480 4.3480 14.9188 14.9188 17.4211 17.4211 19.3039 19.3039 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1993-0.7968 ( 762 PWs) bands (ev): -24.5765 -24.5765 -10.4454 -10.4454 -5.6780 -5.6780 -3.9644 -3.9644 -3.0357 -3.0357 2.4099 2.4099 4.4530 4.4530 14.4083 14.4083 18.2194 18.2194 18.4008 18.4008 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1993-0.6389 ( 764 PWs) bands (ev): -24.6629 -24.6629 -10.6526 -10.6526 -5.2805 -5.2805 -3.9298 -3.9298 -2.9978 -2.9978 2.8442 2.8442 4.5424 4.5424 13.9940 13.9940 17.1484 17.1484 19.2252 19.2252 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1993-0.4810 ( 761 PWs) bands (ev): -24.7959 -24.7959 -10.8090 -10.8090 -4.8956 -4.8956 -3.8369 -3.8369 -2.9584 -2.9584 3.4476 3.4476 4.5853 4.5853 13.6794 13.6794 16.1473 16.1473 18.9164 18.9164 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1993-0.3231 ( 761 PWs) bands (ev): -24.9316 -24.9316 -10.8639 -10.8639 -4.9125 -4.9125 -3.4415 -3.4415 -2.9246 -2.9246 4.0533 4.0533 4.5805 4.5805 13.3485 13.3485 15.6352 15.6352 18.4538 18.4538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1993-0.1652 ( 770 PWs) bands (ev): -25.0285 -25.0285 -10.7989 -10.7989 -5.1946 -5.1946 -3.1003 -3.1003 -2.8250 -2.8250 4.3434 4.3434 4.6616 4.6616 13.0694 13.0694 15.6578 15.6578 18.2273 18.2273 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3544 0.0219 ( 769 PWs) bands (ev): -24.9469 -24.9469 -10.6822 -10.6822 -5.2235 -5.2235 -3.5340 -3.5340 -2.8163 -2.8163 3.8405 3.8405 4.6789 4.6789 13.6180 13.6180 15.9330 15.9330 18.6150 18.6150 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3544 0.1798 ( 771 PWs) bands (ev): -24.8943 -24.8943 -10.4447 -10.4447 -5.4775 -5.4775 -3.5894 -3.5894 -3.0491 -3.0491 3.6201 3.6201 4.4168 4.4168 14.2114 14.2114 16.2396 16.2396 19.1682 19.1682 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3544 0.3377 ( 772 PWs) bands (ev): -24.7888 -24.7888 -10.2289 -10.2289 -5.6226 -5.6226 -3.5926 -3.5926 -3.4842 -3.4842 3.3924 3.3924 3.9507 3.9507 14.9555 14.9555 16.4033 16.4033 20.0625 20.0625 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3544 0.4956 ( 769 PWs) bands (ev): -24.6616 -24.6616 -10.1082 -10.1082 -5.6789 -5.6789 -3.9507 -3.9507 -3.4771 -3.4771 2.9721 2.9721 3.7056 3.7056 15.5069 15.5069 16.4777 16.4777 20.9523 20.9523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4458 0.4458 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3544 0.6535 ( 768 PWs) bands (ev): -24.5533 -24.5533 -10.1210 -10.1210 -5.7079 -5.7079 -4.1643 -4.1643 -3.3485 -3.3485 2.5102 2.5102 3.7585 3.7585 15.4224 15.4224 16.8529 16.8529 20.8055 20.8056 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0162 0.0162 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3544 0.8115 ( 761 PWs) bands (ev): -24.5006 -24.5006 -10.2599 -10.2599 -5.6768 -5.6768 -4.1350 -4.1350 -3.2285 -3.2285 2.3085 2.3085 3.9354 3.9354 14.9443 14.9443 17.3665 17.3665 19.9806 19.9806 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3544-0.7676 ( 767 PWs) bands (ev): -24.5221 -24.5221 -10.4792 -10.4792 -5.4753 -5.4753 -3.9970 -3.9970 -3.1634 -3.1634 2.4501 2.4501 4.1385 4.1385 14.3929 14.3929 17.4738 17.4738 19.3408 19.3408 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3544-0.6097 ( 765 PWs) bands (ev): -24.6100 -24.6100 -10.7090 -10.7090 -5.0903 -5.0903 -3.8630 -3.8630 -3.1657 -3.1657 2.8857 2.8857 4.2877 4.2877 13.9163 13.9163 16.7207 16.7207 19.3196 19.3196 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3544-0.4518 ( 761 PWs) bands (ev): -24.7337 -24.7337 -10.8781 -10.8781 -4.7050 -4.7050 -3.7127 -3.7127 -3.2126 -3.2126 3.4909 3.4909 4.3338 4.3338 13.5775 13.5775 15.9468 15.9468 18.9778 18.9778 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3544-0.2939 ( 767 PWs) bands (ev): -24.8530 -24.8530 -10.9357 -10.9357 -4.6652 -4.6652 -3.4239 -3.4239 -3.2235 -3.2235 4.0650 4.0650 4.3009 4.3009 13.3744 13.3744 15.5772 15.5772 18.6219 18.6219 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3544-0.1360 ( 761 PWs) bands (ev): -24.9316 -24.9316 -10.8639 -10.8639 -4.9125 -4.9125 -3.4415 -3.4415 -2.9246 -2.9246 4.0533 4.0533 4.5805 4.5805 13.3485 13.3485 15.6352 15.6352 18.4538 18.4538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5096 0.0512 ( 770 PWs) bands (ev): -24.8021 -24.8021 -10.6374 -10.6374 -5.1614 -5.1614 -3.9584 -3.9584 -2.8960 -2.8960 3.2561 3.2561 4.6474 4.6474 13.9599 13.9599 16.4634 16.4634 19.1341 19.1342 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5096 0.2091 ( 772 PWs) bands (ev): -24.7506 -24.7506 -10.4148 -10.4148 -5.3814 -5.3814 -3.9921 -3.9921 -3.1498 -3.1498 3.0937 3.0937 4.3570 4.3570 14.3903 14.3903 16.8743 16.8743 19.6367 19.6367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5096 0.3670 ( 768 PWs) bands (ev): -24.6561 -24.6561 -10.2128 -10.2128 -5.4799 -5.4799 -3.9976 -3.9976 -3.5512 -3.5512 3.0414 3.0414 3.7777 3.7777 14.8555 14.8555 17.1742 17.1742 20.4676 20.4680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0040 0.0040 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5096 0.5249 ( 771 PWs) bands (ev): -24.5472 -24.5472 -10.0996 -10.0996 -5.4459 -5.4459 -4.3220 -4.3220 -3.5709 -3.5709 3.0759 3.0759 3.1556 3.1556 15.1800 15.1800 17.1974 17.1974 20.9405 20.9405 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5096 0.6828 ( 766 PWs) bands (ev): -24.4587 -24.4587 -10.1121 -10.1121 -5.3862 -5.3862 -4.5861 -4.5861 -3.3831 -3.3831 2.5192 2.5192 3.3746 3.3746 15.2001 15.2001 17.0528 17.0528 20.9159 20.9159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5096 0.8407 ( 756 PWs) bands (ev): -24.4206 -24.4206 -10.2438 -10.2438 -5.4000 -5.4000 -4.4835 -4.4835 -3.2157 -3.2157 2.2260 2.2260 3.6855 3.6855 14.8923 14.8923 16.8005 16.8005 20.5683 20.5683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7794 0.7794 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5096-0.7383 ( 759 PWs) bands (ev): -24.4461 -24.4461 -10.4510 -10.4510 -5.3038 -5.3038 -4.2304 -4.2304 -3.1358 -3.1358 2.2795 2.2795 3.9760 3.9760 14.4168 14.4168 16.4122 16.4122 20.0592 20.0592 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5096-0.5804 ( 761 PWs) bands (ev): -24.5263 -24.5263 -10.6673 -10.6673 -5.0341 -5.0341 -4.0045 -4.0045 -3.1620 -3.1620 2.6361 2.6361 4.1593 4.1593 13.9643 13.9643 16.0465 16.0465 19.6092 19.6092 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5096-0.4225 ( 760 PWs) bands (ev): -24.6338 -24.6338 -10.8256 -10.8256 -4.7488 -4.7488 -3.8147 -3.8147 -3.2575 -3.2575 3.1432 3.1432 4.2251 4.2251 13.6683 13.6683 15.8872 15.8872 19.2406 19.2406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5096-0.2646 ( 761 PWs) bands (ev): -24.7337 -24.7337 -10.8781 -10.8781 -4.7050 -4.7050 -3.7127 -3.7127 -3.2126 -3.2126 3.4909 3.4909 4.3338 4.3338 13.5775 13.5775 15.9468 15.9468 18.9778 18.9778 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5096-0.1067 ( 761 PWs) bands (ev): -24.7959 -24.7959 -10.8090 -10.8090 -4.8956 -4.8956 -3.8369 -3.8369 -2.9584 -2.9584 3.4476 3.4476 4.5853 4.5853 13.6794 13.6794 16.1473 16.1473 18.9164 18.9164 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6648 0.0805 ( 768 PWs) bands (ev): -24.6694 -24.6694 -10.5163 -10.5163 -5.4576 -5.4576 -4.0684 -4.0684 -2.9538 -2.9538 2.7097 2.7097 4.6277 4.6277 14.1700 14.1700 17.2630 17.2630 19.5960 19.5960 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6648 0.2384 ( 764 PWs) bands (ev): -24.6276 -24.6276 -10.3433 -10.3433 -5.5433 -5.5433 -4.1413 -4.1413 -3.1909 -3.1909 2.6302 2.6302 4.3774 4.3774 14.4257 14.4257 17.5744 17.5744 19.6734 19.6734 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6648 0.3963 ( 765 PWs) bands (ev): -24.5498 -24.5498 -10.1895 -10.1895 -5.4957 -5.4957 -4.2273 -4.2273 -3.5238 -3.5238 2.6489 2.6489 3.8552 3.8552 14.7009 14.7009 17.8859 17.8859 19.8612 19.8612 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6648 0.5542 ( 763 PWs) bands (ev): -24.4594 -24.4594 -10.1036 -10.1036 -5.2986 -5.2986 -4.6128 -4.6128 -3.5260 -3.5260 2.6374 2.6374 3.3799 3.3799 14.8909 14.8909 17.6451 17.6451 20.2315 20.2315 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6648 0.7121 ( 756 PWs) bands (ev): -24.3854 -24.3854 -10.1115 -10.1115 -5.0846 -5.0846 -4.9592 -4.9592 -3.3364 -3.3364 2.2776 2.2776 3.4475 3.4475 14.9126 14.9126 16.9345 16.9345 20.3955 20.3955 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6648 0.8700 ( 750 PWs) bands (ev): -24.3525 -24.3525 -10.2101 -10.2101 -5.3409 -5.3409 -4.6134 -4.6134 -3.1632 -3.1632 1.9637 1.9637 3.7512 3.7512 14.7692 14.7692 16.0991 16.0991 20.3343 20.3343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0275 0.0275 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6648-0.7090 ( 752 PWs) bands (ev): -24.3721 -24.3721 -10.3699 -10.3699 -5.3642 -5.3642 -4.3191 -4.3191 -3.0768 -3.0768 1.9479 1.9479 4.0120 4.0120 14.5027 14.5027 15.5463 15.5463 20.1443 20.1443 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6648-0.5511 ( 753 PWs) bands (ev): -24.4374 -24.4374 -10.5407 -10.5407 -5.1955 -5.1955 -4.1440 -4.1440 -3.0879 -3.0879 2.2247 2.2247 4.1330 4.1330 14.1753 14.1753 15.5625 15.5625 19.8863 19.8863 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6648-0.3932 ( 761 PWs) bands (ev): -24.5263 -24.5263 -10.6673 -10.6673 -5.0341 -5.0341 -4.0045 -4.0045 -3.1620 -3.1620 2.6361 2.6361 4.1593 4.1593 13.9643 13.9643 16.0465 16.0465 19.6092 19.6092 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6648-0.2353 ( 765 PWs) bands (ev): -24.6100 -24.6100 -10.7090 -10.7090 -5.0903 -5.0903 -3.8630 -3.8630 -3.1657 -3.1657 2.8857 2.8857 4.2877 4.2877 13.9163 13.9163 16.7207 16.7207 19.3197 19.3197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.6648-0.0774 ( 764 PWs) bands (ev): -24.6629 -24.6629 -10.6526 -10.6526 -5.2805 -5.2805 -3.9298 -3.9298 -2.9978 -2.9978 2.8442 2.8442 4.5424 4.5424 13.9940 13.9940 17.1484 17.1484 19.2252 19.2252 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8869-0.2121 ( 765 PWs) bands (ev): -24.5932 -24.5932 -10.3642 -10.3642 -5.7777 -5.7777 -4.0728 -4.0728 -2.9792 -2.9792 2.3525 2.3525 4.6053 4.6053 14.4509 14.4509 17.7115 17.7115 18.9704 18.9704 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8869-0.0542 ( 766 PWs) bands (ev): -24.5673 -24.5673 -10.2653 -10.2653 -5.7402 -5.7402 -4.1436 -4.1436 -3.1837 -3.1837 2.3789 2.3789 4.4296 4.4296 14.5292 14.5292 17.9470 17.9470 19.1202 19.1202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8869 0.1037 ( 767 PWs) bands (ev): -24.5062 -24.5062 -10.1797 -10.1797 -5.5875 -5.5875 -4.2029 -4.2029 -3.4962 -3.4962 2.4747 2.4747 3.9944 3.9944 14.6229 14.6229 18.4337 18.4337 18.9979 18.9979 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8869 0.2616 ( 763 PWs) bands (ev): -24.4283 -24.4283 -10.1300 -10.1300 -5.4021 -5.4021 -4.4520 -4.4520 -3.5202 -3.5202 2.4607 2.4607 3.6225 3.6225 14.6653 14.6653 17.7231 17.7231 19.4978 19.4978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9972 0.9972 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8869 0.4195 ( 762 PWs) bands (ev): -24.3581 -24.3581 -10.1280 -10.1280 -5.3984 -5.3984 -4.5575 -4.5575 -3.3415 -3.3415 2.1324 2.1324 3.6638 3.6638 14.6049 14.6049 16.6800 16.6800 19.8356 19.8356 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9456 0.9456 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8869 0.5774 ( 751 PWs) bands (ev): -24.3189 -24.3189 -10.1767 -10.1767 -5.5297 -5.5297 -4.4097 -4.4097 -3.1723 -3.1723 1.8072 1.8072 3.8800 3.8800 14.5085 14.5085 15.8064 15.8064 20.0261 20.0261 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8869-1.0016 ( 757 PWs) bands (ev): -24.3243 -24.3243 -10.2662 -10.2662 -5.5192 -5.5192 -4.3104 -4.3104 -3.0815 -3.0815 1.7383 1.7383 4.0173 4.0173 14.5255 14.5255 15.3191 15.3191 20.1308 20.1308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8869-0.8437 ( 752 PWs) bands (ev): -24.3721 -24.3721 -10.3699 -10.3699 -5.3642 -5.3642 -4.3191 -4.3191 -3.0768 -3.0768 1.9479 1.9479 4.0120 4.0120 14.5027 14.5027 15.5463 15.5463 20.1443 20.1443 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8869-0.6858 ( 759 PWs) bands (ev): -24.4461 -24.4461 -10.4510 -10.4510 -5.3038 -5.3038 -4.2304 -4.2304 -3.1358 -3.1358 2.2795 2.2795 3.9760 3.9760 14.4168 14.4168 16.4122 16.4122 20.0592 20.0592 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8869-0.5279 ( 767 PWs) bands (ev): -24.5221 -24.5221 -10.4792 -10.4792 -5.4753 -5.4753 -3.9970 -3.9970 -3.1634 -3.1634 2.4501 2.4501 4.1385 4.1385 14.3929 14.3929 17.4738 17.4738 19.3408 19.3408 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8869-0.3700 ( 762 PWs) bands (ev): -24.5765 -24.5765 -10.4454 -10.4454 -5.6780 -5.6780 -3.9644 -3.9644 -3.0357 -3.0357 2.4099 2.4099 4.4530 4.4530 14.4083 14.4083 18.2194 18.2194 18.4008 18.4008 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7317-0.1828 ( 767 PWs) bands (ev): -24.6011 -24.6011 -10.2337 -10.2337 -5.8982 -5.8982 -4.1105 -4.1105 -2.9672 -2.9672 2.2801 2.2801 4.5826 4.5826 14.8214 14.8214 17.3091 17.3091 19.2501 19.2501 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7317-0.0249 ( 769 PWs) bands (ev): -24.5914 -24.5914 -10.2125 -10.2125 -5.7708 -5.7708 -4.1495 -4.1495 -3.1302 -3.1302 2.4103 2.4103 4.4853 4.4853 14.7107 14.7107 17.5966 17.5966 19.3055 19.3055 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7317 0.1330 ( 764 PWs) bands (ev): -24.5410 -24.5410 -10.1946 -10.1946 -5.5677 -5.5677 -4.1209 -4.1209 -3.4543 -3.4543 2.5868 2.5868 4.1223 4.1223 14.6109 14.6109 18.0564 18.0564 18.9103 18.9103 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7317 0.2909 ( 763 PWs) bands (ev): -24.4647 -24.4647 -10.1780 -10.1780 -5.4359 -5.4359 -4.1684 -4.1684 -3.5784 -3.5784 2.5964 2.5964 3.7983 3.7983 14.4918 14.4918 17.4747 17.4747 18.9658 18.9658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0009 0.0009 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7317 0.4488 ( 755 PWs) bands (ev): -24.3864 -24.3864 -10.1637 -10.1637 -5.4930 -5.4930 -4.2346 -4.2346 -3.4328 -3.4328 2.2679 2.2679 3.8001 3.8001 14.3479 14.3479 16.5946 16.5946 19.3166 19.3166 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0008 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7317 0.6067 ( 757 PWs) bands (ev): -24.3316 -24.3316 -10.1602 -10.1602 -5.5878 -5.5878 -4.2676 -4.2676 -3.2675 -3.2675 1.9207 1.9207 3.8945 3.8945 14.3071 14.3071 16.0210 16.0210 19.6694 19.6694 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7317-0.9723 ( 751 PWs) bands (ev): -24.3189 -24.3189 -10.1767 -10.1767 -5.5297 -5.5297 -4.4097 -4.4097 -3.1723 -3.1723 1.8072 1.8072 3.8800 3.8800 14.5085 14.5085 15.8064 15.8064 20.0261 20.0261 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7317-0.8144 ( 750 PWs) bands (ev): -24.3525 -24.3525 -10.2101 -10.2101 -5.3409 -5.3409 -4.6134 -4.6134 -3.1632 -3.1632 1.9637 1.9637 3.7512 3.7512 14.7692 14.7692 16.0991 16.0991 20.3343 20.3343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0275 0.0275 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7317-0.6565 ( 756 PWs) bands (ev): -24.4206 -24.4206 -10.2438 -10.2438 -5.4000 -5.4000 -4.4835 -4.4835 -3.2157 -3.2157 2.2260 2.2260 3.6855 3.6855 14.8923 14.8923 16.8005 16.8005 20.5683 20.5683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7794 0.7794 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7317-0.4986 ( 761 PWs) bands (ev): -24.5006 -24.5006 -10.2599 -10.2599 -5.6768 -5.6768 -4.1350 -4.1350 -3.2285 -3.2285 2.3085 2.3085 3.9354 3.9354 14.9443 14.9443 17.3665 17.3665 19.9806 19.9806 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.7317-0.3407 ( 766 PWs) bands (ev): -24.5675 -24.5675 -10.2535 -10.2535 -5.8703 -5.8703 -4.0384 -4.0384 -3.0696 -3.0696 2.2618 2.2618 4.3480 4.3480 14.9188 14.9188 17.4211 17.4211 19.3039 19.3039 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5766-0.1536 ( 763 PWs) bands (ev): -24.6902 -24.6902 -10.1606 -10.1606 -5.8549 -5.8549 -4.1139 -4.1139 -2.9254 -2.9254 2.5376 2.5376 4.5709 4.5709 15.1529 15.1529 16.5791 16.5791 19.9011 19.9011 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5766 0.0043 ( 768 PWs) bands (ev): -24.6913 -24.6913 -10.1944 -10.1944 -5.6844 -5.6844 -4.1146 -4.1146 -3.0472 -3.0472 2.7394 2.7394 4.5265 4.5265 14.8468 14.8468 16.8403 16.8403 20.1170 20.1193 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5766 0.1622 ( 766 PWs) bands (ev): -24.6419 -24.6419 -10.2229 -10.2229 -5.4605 -5.4605 -4.0350 -4.0350 -3.3792 -3.3792 2.9690 2.9690 4.1957 4.1957 14.5877 14.5877 17.1581 17.1581 19.1874 19.1874 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5766 0.3201 ( 764 PWs) bands (ev): -24.5563 -24.5563 -10.2282 -10.2282 -5.3441 -5.3441 -3.9384 -3.9384 -3.6569 -3.6569 2.9953 2.9953 3.8651 3.8651 14.3764 14.3764 17.1261 17.1261 18.7341 18.7341 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5766 0.4780 ( 762 PWs) bands (ev): -24.4608 -24.4608 -10.2043 -10.2043 -5.4122 -5.4122 -4.0312 -4.0312 -3.5889 -3.5889 2.6379 2.6379 3.8193 3.8193 14.2675 14.2675 16.7810 16.7810 18.9074 18.9074 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5766 0.6359 ( 755 PWs) bands (ev): -24.3864 -24.3864 -10.1637 -10.1637 -5.4930 -5.4930 -4.2346 -4.2346 -3.4328 -3.4328 2.2679 2.2679 3.8001 3.8001 14.3479 14.3479 16.5946 16.5946 19.3166 19.3166 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0008 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5766-0.9431 ( 762 PWs) bands (ev): -24.3581 -24.3581 -10.1280 -10.1280 -5.3984 -5.3984 -4.5575 -4.5575 -3.3415 -3.3415 2.1324 2.1324 3.6638 3.6638 14.6049 14.6049 16.6800 16.6800 19.8356 19.8356 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9456 0.9456 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5766-0.7852 ( 756 PWs) bands (ev): -24.3854 -24.3854 -10.1115 -10.1115 -5.0846 -5.0846 -4.9592 -4.9592 -3.3364 -3.3364 2.2776 2.2776 3.4475 3.4475 14.9126 14.9126 16.9345 16.9345 20.3955 20.3955 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5766-0.6273 ( 766 PWs) bands (ev): -24.4587 -24.4587 -10.1121 -10.1121 -5.3862 -5.3862 -4.5861 -4.5861 -3.3831 -3.3831 2.5192 2.5192 3.3746 3.3746 15.2001 15.2001 17.0528 17.0528 20.9159 20.9159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5766-0.4694 ( 768 PWs) bands (ev): -24.5533 -24.5533 -10.1210 -10.1210 -5.7079 -5.7079 -4.1643 -4.1643 -3.3485 -3.3485 2.5102 2.5102 3.7585 3.7585 15.4224 15.4224 16.8529 16.8529 20.8055 20.8056 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0162 0.0162 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5766-0.3115 ( 772 PWs) bands (ev): -24.6392 -24.6392 -10.1357 -10.1357 -5.8728 -5.8728 -4.0697 -4.0697 -3.0944 -3.0944 2.4589 2.4589 4.2713 4.2713 15.4258 15.4258 16.5770 16.5770 20.1117 20.1117 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4214-0.1243 ( 761 PWs) bands (ev): -24.8290 -24.8290 -10.1574 -10.1574 -5.8336 -5.8336 -3.9032 -3.9032 -2.8660 -2.8660 3.0699 3.0699 4.5835 4.5835 15.0234 15.0234 16.0436 16.0436 19.9293 19.9293 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4214 0.0336 ( 763 PWs) bands (ev): -24.8321 -24.8321 -10.2023 -10.2023 -5.6955 -5.6955 -3.8514 -3.8514 -2.9682 -2.9682 3.2929 3.2929 4.5444 4.5444 14.6432 14.6432 16.2538 16.2538 19.5581 19.5581 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4214 0.1915 ( 763 PWs) bands (ev): -24.7741 -24.7741 -10.2423 -10.2423 -5.4761 -5.4761 -3.7740 -3.7740 -3.3156 -3.3156 3.5278 3.5278 4.1895 4.1895 14.4430 14.4430 16.5197 16.5197 19.1084 19.1084 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4214 0.3494 ( 767 PWs) bands (ev): -24.6718 -24.6718 -10.2540 -10.2540 -5.3170 -5.3170 -3.7303 -3.7303 -3.6713 -3.6713 3.5003 3.5003 3.8499 3.8499 14.3550 14.3550 16.8172 16.8172 18.7832 18.7832 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4214 0.5073 ( 764 PWs) bands (ev): -24.5563 -24.5563 -10.2282 -10.2282 -5.3441 -5.3441 -3.9384 -3.9384 -3.6569 -3.6569 2.9953 2.9953 3.8651 3.8651 14.3764 14.3764 17.1261 17.1261 18.7341 18.7341 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4214 0.6652 ( 763 PWs) bands (ev): -24.4647 -24.4647 -10.1780 -10.1780 -5.4359 -5.4359 -4.1684 -4.1684 -3.5784 -3.5784 2.5964 2.5964 3.7983 3.7983 14.4918 14.4918 17.4747 17.4747 18.9658 18.9658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0009 0.0009 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4214-0.9138 ( 763 PWs) bands (ev): -24.4283 -24.4283 -10.1300 -10.1300 -5.4021 -5.4021 -4.4520 -4.4520 -3.5202 -3.5202 2.4607 2.4607 3.6225 3.6225 14.6653 14.6653 17.7231 17.7231 19.4978 19.4978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9972 0.9972 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4214-0.7559 ( 763 PWs) bands (ev): -24.4594 -24.4594 -10.1036 -10.1036 -5.2986 -5.2986 -4.6128 -4.6128 -3.5260 -3.5260 2.6374 2.6374 3.3799 3.3799 14.8909 14.8909 17.6451 17.6451 20.2315 20.2315 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4214-0.5980 ( 771 PWs) bands (ev): -24.5472 -24.5472 -10.0996 -10.0996 -5.4459 -5.4459 -4.3220 -4.3220 -3.5709 -3.5709 3.0759 3.0759 3.1556 3.1556 15.1800 15.1800 17.1974 17.1974 20.9405 20.9405 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4214-0.4401 ( 769 PWs) bands (ev): -24.6616 -24.6616 -10.1082 -10.1082 -5.6789 -5.6789 -3.9507 -3.9507 -3.4771 -3.4771 2.9721 2.9721 3.7056 3.7056 15.5069 15.5069 16.4777 16.4777 20.9523 20.9523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4458 0.4458 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4214-0.2822 ( 768 PWs) bands (ev): -24.7661 -24.7661 -10.1258 -10.1258 -5.8268 -5.8268 -3.9073 -3.9073 -3.0911 -3.0911 2.9480 2.9480 4.2671 4.2671 15.6403 15.6403 15.8413 15.8413 20.3280 20.3280 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2662-0.0951 ( 777 PWs) bands (ev): -24.9712 -24.9712 -10.2247 -10.2247 -5.8963 -5.8963 -3.4609 -3.4609 -2.7968 -2.7968 3.6944 3.6944 4.6364 4.6364 14.1763 14.1763 16.0175 16.0175 19.5331 19.5331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.6469 0.6469 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2662 0.0628 ( 771 PWs) bands (ev): -24.9674 -24.9674 -10.2298 -10.2298 -5.8415 -5.8415 -3.3733 -3.3733 -2.9188 -2.9188 3.8775 3.8775 4.5570 4.5570 14.0125 14.0125 16.0814 16.0814 19.3361 19.3361 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2662 0.2207 ( 762 PWs) bands (ev): -24.8948 -24.8948 -10.2415 -10.2415 -5.6598 -5.6598 -3.3369 -3.3369 -3.2968 -3.2968 3.9903 3.9903 4.2069 4.2069 14.1762 14.1762 16.2100 16.2100 19.1330 19.1330 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2662 0.3786 ( 763 PWs) bands (ev): -24.7741 -24.7741 -10.2423 -10.2423 -5.4761 -5.4761 -3.7740 -3.7740 -3.3156 -3.3156 3.5278 3.5278 4.1895 4.1895 14.4430 14.4430 16.5197 16.5197 19.1084 19.1084 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2662 0.5365 ( 766 PWs) bands (ev): -24.6419 -24.6419 -10.2229 -10.2229 -5.4605 -5.4605 -4.0350 -4.0350 -3.3792 -3.3792 2.9690 2.9690 4.1957 4.1957 14.5877 14.5877 17.1581 17.1581 19.1874 19.1874 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2662 0.6944 ( 764 PWs) bands (ev): -24.5410 -24.5410 -10.1946 -10.1946 -5.5677 -5.5677 -4.1209 -4.1209 -3.4543 -3.4543 2.5868 2.5868 4.1223 4.1223 14.6109 14.6109 18.0564 18.0564 18.9103 18.9103 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2662-0.8846 ( 767 PWs) bands (ev): -24.5062 -24.5062 -10.1797 -10.1797 -5.5875 -5.5875 -4.2029 -4.2029 -3.4962 -3.4962 2.4747 2.4747 3.9944 3.9944 14.6229 14.6229 18.4337 18.4337 18.9979 18.9979 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2662-0.7267 ( 765 PWs) bands (ev): -24.5498 -24.5498 -10.1895 -10.1895 -5.4957 -5.4957 -4.2273 -4.2273 -3.5238 -3.5238 2.6489 2.6489 3.8552 3.8552 14.7009 14.7009 17.8859 17.8859 19.8612 19.8612 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2662-0.5688 ( 768 PWs) bands (ev): -24.6561 -24.6561 -10.2128 -10.2128 -5.4799 -5.4799 -3.9976 -3.9976 -3.5512 -3.5512 3.0414 3.0414 3.7777 3.7777 14.8555 14.8555 17.1742 17.1742 20.4675 20.4675 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0040 0.0040 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2662-0.4109 ( 772 PWs) bands (ev): -24.7888 -24.7888 -10.2289 -10.2289 -5.6226 -5.6226 -3.5926 -3.5926 -3.4842 -3.4842 3.3924 3.3924 3.9507 3.9507 14.9555 14.9555 16.4033 16.4033 20.0625 20.0625 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2662-0.2530 ( 769 PWs) bands (ev): -24.9054 -24.9054 -10.2292 -10.2292 -5.8018 -5.8018 -3.5372 -3.5372 -3.0285 -3.0285 3.5402 3.5402 4.3750 4.3750 14.6529 14.6529 16.0235 16.0235 19.7105 19.7105 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2221-0.1316 ( 769 PWs) bands (ev): -24.9646 -24.9646 -10.3605 -10.3605 -5.7026 -5.7026 -3.4821 -3.4821 -2.8025 -2.8025 3.7366 3.7366 4.6475 4.6475 13.9987 13.9987 16.0721 16.0721 19.1211 19.1211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0762 0.0762 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2221 0.0263 ( 771 PWs) bands (ev): -24.9674 -24.9674 -10.2298 -10.2298 -5.8415 -5.8415 -3.3733 -3.3733 -2.9188 -2.9188 3.8775 3.8775 4.5570 4.5570 14.0125 14.0125 16.0814 16.0814 19.3361 19.3361 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2221 0.1842 ( 757 PWs) bands (ev): -24.9014 -24.9014 -10.1023 -10.1023 -5.8496 -5.8496 -3.3465 -3.3465 -3.2778 -3.2778 3.9407 3.9407 4.2270 4.2270 14.3756 14.3756 16.1058 16.1058 19.5562 19.5563 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2221 0.3421 ( 760 PWs) bands (ev): -24.7854 -24.7854 -10.0171 -10.0171 -5.7695 -5.7695 -3.7834 -3.7834 -3.3104 -3.3104 3.4858 3.4858 4.1916 4.1916 14.9192 14.9192 16.1880 16.1880 19.6638 19.6638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2221 0.5000 ( 763 PWs) bands (ev): -24.6544 -24.6544 -9.9899 -9.9899 -5.7218 -5.7218 -4.0641 -4.0641 -3.4036 -3.4036 2.9280 2.9280 4.2037 4.2037 15.1987 15.1987 16.6285 16.6285 19.5752 19.5752 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2221 0.6579 ( 764 PWs) bands (ev): -24.5507 -24.5507 -10.0239 -10.0239 -5.7248 -5.7248 -4.1256 -4.1256 -3.5382 -3.5382 2.5614 2.5614 4.1497 4.1497 15.0603 15.0603 17.4731 17.4731 19.0873 19.0873 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2221-0.9211 ( 765 PWs) bands (ev): -24.5100 -24.5100 -10.1158 -10.1158 -5.6298 -5.6298 -4.1519 -4.1519 -3.6330 -3.6330 2.4901 2.4901 4.0508 4.0508 14.7753 14.7753 18.3410 18.3410 18.7409 18.7409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2221-0.7632 ( 767 PWs) bands (ev): -24.5465 -24.5465 -10.2459 -10.2459 -5.3827 -5.3827 -4.1982 -4.1982 -3.6582 -3.6582 2.7080 2.7080 3.9476 3.9476 14.5122 14.5122 18.2529 18.2529 19.3271 19.3271 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2221-0.6053 ( 768 PWs) bands (ev): -24.6468 -24.6468 -10.3728 -10.3728 -5.1858 -5.1858 -4.0493 -4.0493 -3.6541 -3.6541 3.1177 3.1177 3.8967 3.8967 14.3681 14.3681 17.6536 17.6536 20.0245 20.0246 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2221-0.4474 ( 769 PWs) bands (ev): -24.7766 -24.7766 -10.4492 -10.4492 -5.2592 -5.2592 -3.6862 -3.6862 -3.5197 -3.5197 3.4790 3.4790 4.0441 4.0441 14.3256 14.3256 16.8439 16.8439 19.5321 19.5321 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2221-0.2895 ( 771 PWs) bands (ev): -24.8943 -24.8943 -10.4447 -10.4447 -5.4775 -5.4775 -3.5894 -3.5894 -3.0491 -3.0491 3.6201 3.6201 4.4168 4.4168 14.2114 14.2114 16.2396 16.2396 19.1682 19.1682 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0670-0.1024 ( 769 PWs) bands (ev): -25.0586 -25.0586 -10.6326 -10.6326 -5.4993 -5.4993 -3.1002 -3.1002 -2.7065 -2.7065 4.2333 4.2333 4.7654 4.7654 13.1537 13.1537 15.8729 15.8729 18.4090 18.4090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0670 0.0555 ( 771 PWs) bands (ev): -25.0486 -25.0486 -10.4361 -10.4361 -5.7310 -5.7310 -3.0508 -3.0508 -2.8266 -2.8266 4.2231 4.2231 4.6649 4.6649 13.3485 13.3485 16.0206 16.0206 18.7660 18.7660 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0670 0.2134 ( 771 PWs) bands (ev): -24.9674 -24.9674 -10.2298 -10.2298 -5.8415 -5.8415 -3.3733 -3.3733 -2.9188 -2.9188 3.8775 3.8775 4.5570 4.5570 14.0125 14.0125 16.0814 16.0814 19.3361 19.3361 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0670 0.3713 ( 761 PWs) bands (ev): -24.8379 -24.8379 -10.0832 -10.0832 -5.8579 -5.8579 -3.8386 -3.8386 -2.9663 -2.9663 3.2556 3.2556 4.5428 4.5428 14.9434 14.9434 16.0329 16.0329 19.9312 19.9312 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0670 0.5292 ( 761 PWs) bands (ev): -24.6993 -24.6993 -10.0386 -10.0386 -5.8835 -5.8835 -4.0985 -4.0985 -3.0502 -3.0502 2.6696 2.6696 4.5303 4.5303 15.5223 15.5223 16.2284 16.2284 20.1811 20.1811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0670 0.6871 ( 772 PWs) bands (ev): -24.5973 -24.5973 -10.1045 -10.1045 -5.9134 -5.9134 -4.1109 -4.1109 -3.1483 -3.1483 2.3335 2.3335 4.5038 4.5038 15.1917 15.1917 17.0898 17.0898 19.2309 19.2309 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0670-0.8919 ( 771 PWs) bands (ev): -24.5672 -24.5672 -10.2620 -10.2620 -5.7944 -5.7944 -4.0508 -4.0508 -3.2231 -3.2231 2.3417 2.3417 4.4706 4.4706 14.7032 14.7032 17.7956 17.7956 18.7617 18.7617 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0670-0.7340 ( 767 PWs) bands (ev): -24.6197 -24.6197 -10.4659 -10.4659 -5.4608 -5.4608 -4.0299 -4.0299 -3.2433 -3.2433 2.6617 2.6617 4.4435 4.4435 14.2584 14.2584 17.6402 17.6402 19.2148 19.2148 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0670-0.5761 ( 772 PWs) bands (ev): -24.7357 -24.7357 -10.6520 -10.6520 -5.0635 -5.0635 -3.9780 -3.9780 -3.1988 -3.1988 3.1805 3.1805 4.4382 4.4382 13.9507 13.9507 16.9033 16.9033 19.4981 19.4982 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0670-0.4182 ( 771 PWs) bands (ev): -24.8754 -24.8754 -10.7596 -10.7596 -4.9814 -4.9814 -3.6605 -3.6605 -3.0814 -3.0814 3.7325 3.7325 4.4868 4.4868 13.7185 13.7185 16.1240 16.1240 18.8853 18.8853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1006 0.1006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.0670-0.2603 ( 773 PWs) bands (ev): -24.9948 -24.9948 -10.7531 -10.7531 -5.2063 -5.2063 -3.2880 -3.2880 -2.8645 -2.8645 4.0974 4.0974 4.6411 4.6411 13.3921 13.3921 15.7851 15.7851 18.4703 18.4703 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0882-0.0731 ( 764 PWs) bands (ev): -25.0840 -25.0840 -10.8813 -10.8813 -5.2062 -5.2062 -3.0022 -3.0022 -2.6231 -2.6231 4.4275 4.4275 4.8581 4.8581 12.7472 12.7472 15.5060 15.5060 18.0743 18.0743 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0882 0.0848 ( 769 PWs) bands (ev): -25.0586 -25.0586 -10.6326 -10.6326 -5.4993 -5.4993 -3.1002 -3.1002 -2.7065 -2.7065 4.2333 4.2333 4.7654 4.7654 13.1537 13.1537 15.8729 15.8729 18.4090 18.4090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0882 0.2427 ( 769 PWs) bands (ev): -24.9646 -24.9646 -10.3605 -10.3605 -5.7026 -5.7026 -3.4821 -3.4821 -2.8025 -2.8025 3.7366 3.7366 4.6475 4.6475 13.9987 13.9987 16.0721 16.0721 19.1211 19.1211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0762 0.0762 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0882 0.4006 ( 761 PWs) bands (ev): -24.8290 -24.8290 -10.1574 -10.1574 -5.8336 -5.8336 -3.9032 -3.9032 -2.8660 -2.8660 3.0699 3.0699 4.5835 4.5835 15.0234 15.0234 16.0436 16.0436 19.9293 19.9293 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0882 0.5585 ( 762 PWs) bands (ev): -24.6936 -24.6936 -10.0943 -10.0943 -5.9518 -5.9518 -4.0891 -4.0891 -2.9182 -2.9182 2.4919 2.4919 4.5614 4.5614 15.7197 15.7197 16.0464 16.0464 19.9488 19.9488 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0882 0.7164 ( 768 PWs) bands (ev): -24.6033 -24.6033 -10.1892 -10.1892 -5.9982 -5.9982 -4.0404 -4.0404 -2.9557 -2.9557 2.2072 2.2072 4.5734 4.5734 15.2272 15.2272 16.9206 16.9206 19.1524 19.1524 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0882-0.8626 ( 771 PWs) bands (ev): -24.5901 -24.5901 -10.4066 -10.4066 -5.8317 -5.8317 -3.9308 -3.9308 -2.9711 -2.9711 2.2996 2.2996 4.6092 4.6092 14.6097 14.6097 17.6660 17.6660 18.4748 18.4748 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0882-0.7047 ( 768 PWs) bands (ev): -24.6584 -24.6584 -10.6745 -10.6745 -5.4109 -5.4109 -3.8754 -3.8754 -2.9567 -2.9567 2.7178 2.7178 4.6538 4.6538 14.0323 14.0323 17.1688 17.1688 19.0446 19.0446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0882-0.5468 ( 767 PWs) bands (ev): -24.7836 -24.7836 -10.9086 -10.9086 -4.8739 -4.8739 -3.8526 -3.8526 -2.9088 -2.9088 3.3272 3.3272 4.6927 4.6927 13.5934 13.5934 16.1469 16.1469 19.2109 19.2109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0882-0.3889 ( 766 PWs) bands (ev): -24.9233 -24.9233 -11.0398 -11.0398 -4.6649 -4.6649 -3.5801 -3.5801 -2.8311 -2.8311 3.9530 3.9530 4.7249 4.7249 13.2317 13.2317 15.3624 15.3624 18.6291 18.6291 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0882-0.2310 ( 769 PWs) bands (ev): -25.0343 -25.0343 -11.0304 -11.0304 -4.8813 -4.8813 -3.1601 -3.1601 -2.7153 -2.7153 4.3668 4.3668 4.7892 4.7892 12.8574 12.8574 15.2015 15.2015 18.1947 18.1947 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2434-0.0439 ( 769 PWs) bands (ev): -25.0343 -25.0343 -11.0304 -11.0304 -4.8813 -4.8813 -3.1601 -3.1601 -2.7153 -2.7153 4.3668 4.3668 4.7892 4.7892 12.8574 12.8574 15.2015 15.2015 18.1947 18.1947 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2434 0.1140 ( 773 PWs) bands (ev): -24.9948 -24.9948 -10.7531 -10.7531 -5.2063 -5.2063 -3.2880 -3.2880 -2.8645 -2.8645 4.0974 4.0974 4.6411 4.6411 13.3921 13.3921 15.7851 15.7851 18.4703 18.4703 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2434 0.2719 ( 771 PWs) bands (ev): -24.8943 -24.8943 -10.4447 -10.4447 -5.4775 -5.4775 -3.5894 -3.5894 -3.0491 -3.0491 3.6201 3.6201 4.4168 4.4168 14.2114 14.2114 16.2396 16.2396 19.1682 19.1682 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9977 0.9977 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2434 0.4298 ( 770 PWs) bands (ev): -24.7619 -24.7619 -10.2094 -10.2094 -5.6971 -5.6971 -3.9363 -3.9363 -3.1080 -3.1080 2.9927 2.9927 4.2920 4.2920 15.0173 15.0173 16.4219 16.4219 20.0724 20.0724 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2434 0.5877 ( 772 PWs) bands (ev): -24.6392 -24.6392 -10.1357 -10.1357 -5.8728 -5.8728 -4.0697 -4.0697 -3.0944 -3.0944 2.4589 2.4589 4.2713 4.2713 15.4258 15.4258 16.5770 16.5770 20.1117 20.1117 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2434 0.7456 ( 773 PWs) bands (ev): -24.5675 -24.5675 -10.2494 -10.2494 -5.9149 -5.9149 -3.9936 -3.9936 -3.0441 -3.0441 2.2205 2.2205 4.3331 4.3331 15.1244 15.1244 17.1576 17.1576 19.3464 19.3464 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2434-0.8334 ( 766 PWs) bands (ev): -24.5723 -24.5723 -10.5038 -10.5038 -5.7109 -5.7109 -3.8515 -3.8515 -2.9882 -2.9882 2.3585 2.3585 4.4437 4.4437 14.5096 14.5096 17.9296 17.9296 18.3180 18.3180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2434-0.6755 ( 763 PWs) bands (ev): -24.6515 -24.6515 -10.8086 -10.8086 -5.2480 -5.2480 -3.7483 -3.7483 -2.9490 -2.9490 2.8205 2.8205 4.5573 4.5573 13.8817 13.8817 16.8584 16.8584 19.1869 19.1869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2434-0.5176 ( 757 PWs) bands (ev): -24.7768 -24.7768 -11.0682 -11.0682 -4.6629 -4.6629 -3.6956 -3.6956 -2.9280 -2.9280 3.4678 3.4678 4.6291 4.6291 13.3833 13.3833 15.6613 15.6613 19.1503 19.1503 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2434-0.3597 ( 760 PWs) bands (ev): -24.9069 -24.9069 -11.2099 -11.2099 -4.3775 -4.3775 -3.4676 -3.4676 -2.9113 -2.9113 4.1222 4.1222 4.6323 4.6323 13.0170 13.0170 14.8979 14.8979 18.6604 18.6604 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2434-0.2018 ( 766 PWs) bands (ev): -25.0018 -25.0018 -11.1967 -11.1967 -4.5580 -4.5580 -3.1634 -3.1634 -2.8187 -2.8187 4.5004 4.5004 4.6548 4.6548 12.7722 12.7722 14.7952 14.7952 18.2970 18.2970 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3985-0.0146 ( 766 PWs) bands (ev): -24.9233 -24.9233 -11.0398 -11.0398 -4.6649 -4.6649 -3.5801 -3.5801 -2.8311 -2.8311 3.9530 3.9530 4.7249 4.7249 13.2317 13.2317 15.3624 15.3624 18.6291 18.6291 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3985 0.1433 ( 771 PWs) bands (ev): -24.8754 -24.8754 -10.7596 -10.7596 -4.9814 -4.9814 -3.6605 -3.6605 -3.0814 -3.0814 3.7325 3.7325 4.4868 4.4868 13.7185 13.7185 16.1240 16.1240 18.8853 18.8853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1006 0.1006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3985 0.3012 ( 769 PWs) bands (ev): -24.7766 -24.7766 -10.4492 -10.4492 -5.2592 -5.2592 -3.6862 -3.6862 -3.5197 -3.5197 3.4790 3.4790 4.0441 4.0441 14.3256 14.3256 16.8439 16.8439 19.5321 19.5321 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3985 0.4591 ( 768 PWs) bands (ev): -24.6561 -24.6561 -10.2128 -10.2128 -5.4799 -5.4799 -3.9976 -3.9976 -3.5512 -3.5512 3.0414 3.0414 3.7777 3.7777 14.8555 14.8555 17.1742 17.1742 20.4675 20.4675 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0040 0.0040 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3985 0.6170 ( 765 PWs) bands (ev): -24.5523 -24.5523 -10.1406 -10.1406 -5.6435 -5.6435 -4.1876 -4.1876 -3.4001 -3.4001 2.5548 2.5548 3.7857 3.7857 15.1171 15.1171 17.2462 17.2462 20.4244 20.4244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0022 0.0022 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3985 0.7749 ( 761 PWs) bands (ev): -24.5006 -24.5006 -10.2599 -10.2599 -5.6768 -5.6768 -4.1350 -4.1350 -3.2285 -3.2285 2.3085 2.3085 3.9354 3.9354 14.9443 14.9443 17.3665 17.3665 19.9806 19.9806 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3985-0.8041 ( 760 PWs) bands (ev): -24.5191 -24.5191 -10.5210 -10.5210 -5.4812 -5.4812 -3.9684 -3.9684 -3.0975 -3.0975 2.4079 2.4079 4.1448 4.1448 14.4336 14.4336 17.2291 17.2291 19.5643 19.5643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3985-0.6462 ( 764 PWs) bands (ev): -24.6009 -24.6009 -10.8296 -10.8296 -5.0521 -5.0521 -3.8034 -3.8034 -3.0468 -3.0468 2.8192 2.8192 4.3330 4.3330 13.8442 13.8442 16.3578 16.3578 19.6935 19.6936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3985-0.4883 ( 764 PWs) bands (ev): -24.7175 -24.7175 -11.0890 -11.0890 -4.5254 -4.5254 -3.6745 -3.6745 -3.0776 -3.0776 3.4138 3.4138 4.4355 4.4355 13.3653 13.3653 15.4417 15.4417 19.2820 19.2820 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3985-0.3304 ( 764 PWs) bands (ev): -24.8310 -24.8310 -11.2275 -11.2275 -4.2528 -4.2528 -3.4848 -3.4848 -3.1088 -3.1088 3.9803 3.9803 4.4613 4.4613 13.0798 13.0798 14.9107 14.9107 18.9072 18.9072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3985-0.1725 ( 760 PWs) bands (ev): -24.9069 -24.9069 -11.2099 -11.2099 -4.3775 -4.3775 -3.4676 -3.4676 -2.9113 -2.9113 4.1222 4.1222 4.6323 4.6323 13.0170 13.0170 14.8979 14.8979 18.6604 18.6604 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5537 0.0146 ( 767 PWs) bands (ev): -24.7836 -24.7836 -10.9086 -10.9086 -4.8739 -4.8739 -3.8526 -3.8526 -2.9088 -2.9088 3.3272 3.3272 4.6927 4.6927 13.5934 13.5934 16.1469 16.1469 19.2109 19.2109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5537 0.1725 ( 772 PWs) bands (ev): -24.7357 -24.7357 -10.6520 -10.6520 -5.0635 -5.0635 -3.9780 -3.9780 -3.1988 -3.1988 3.1805 3.1805 4.4382 4.4382 13.9507 13.9507 16.9033 16.9033 19.4981 19.4981 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5537 0.3304 ( 768 PWs) bands (ev): -24.6468 -24.6468 -10.3728 -10.3728 -5.1858 -5.1858 -4.0493 -4.0493 -3.6541 -3.6541 3.1177 3.1177 3.8967 3.8967 14.3681 14.3681 17.6536 17.6536 20.0245 20.0246 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5537 0.4883 ( 762 PWs) bands (ev): -24.5437 -24.5437 -10.1641 -10.1641 -5.2319 -5.2319 -4.3823 -4.3823 -3.7250 -3.7250 3.1664 3.1664 3.2450 3.2450 14.7243 14.7243 17.8983 17.8983 20.2080 20.2080 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5537 0.6462 ( 763 PWs) bands (ev): -24.4594 -24.4594 -10.1036 -10.1036 -5.2986 -5.2986 -4.6128 -4.6128 -3.5260 -3.5260 2.6374 2.6374 3.3799 3.3799 14.8909 14.8909 17.6451 17.6451 20.2315 20.2315 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5537 0.8041 ( 759 PWs) bands (ev): -24.4227 -24.4227 -10.2138 -10.2138 -5.3943 -5.3943 -4.4812 -4.4812 -3.3013 -3.3013 2.2940 2.2940 3.6694 3.6694 14.7780 14.7780 17.1048 17.1048 20.1626 20.1626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9201 0.9201 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5537-0.7749 ( 759 PWs) bands (ev): -24.4461 -24.4461 -10.4510 -10.4510 -5.3038 -5.3038 -4.2304 -4.2304 -3.1358 -3.1358 2.2795 2.2795 3.9760 3.9760 14.4168 14.4168 16.4122 16.4122 20.0592 20.0592 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5537-0.6170 ( 761 PWs) bands (ev): -24.5214 -24.5214 -10.7311 -10.7311 -4.9991 -4.9991 -4.0163 -4.0163 -3.0667 -3.0667 2.5704 2.5704 4.2100 4.2100 13.9547 13.9547 15.8024 15.8024 19.8189 19.8189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5537-0.4591 ( 755 PWs) bands (ev): -24.6228 -24.6228 -10.9658 -10.9658 -4.6399 -4.6399 -3.8533 -3.8533 -3.0807 -3.0807 3.0339 3.0339 4.3325 4.3325 13.5647 13.5647 15.4732 15.4732 19.5274 19.5274 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5537-0.3012 ( 764 PWs) bands (ev): -24.7175 -24.7175 -11.0890 -11.0890 -4.5254 -4.5254 -3.6745 -3.6745 -3.0776 -3.0776 3.4138 3.4138 4.4355 4.4355 13.3653 13.3653 15.4417 15.4417 19.2820 19.2820 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5537-0.1433 ( 757 PWs) bands (ev): -24.7768 -24.7768 -11.0682 -11.0682 -4.6629 -4.6629 -3.6956 -3.6956 -2.9280 -2.9280 3.4678 3.4678 4.6291 4.6291 13.3833 13.3833 15.6613 15.6613 19.1503 19.1503 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9980-0.2779 ( 768 PWs) bands (ev): -24.6584 -24.6584 -10.6745 -10.6745 -5.4109 -5.4109 -3.8754 -3.8754 -2.9567 -2.9567 2.7178 2.7178 4.6538 4.6538 14.0323 14.0323 17.1688 17.1688 19.0446 19.0446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9980-0.1200 ( 767 PWs) bands (ev): -24.6197 -24.6197 -10.4659 -10.4659 -5.4608 -5.4608 -4.0299 -4.0299 -3.2433 -3.2433 2.6617 2.6617 4.4435 4.4435 14.2584 14.2584 17.6402 17.6402 19.2148 19.2148 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9980 0.0379 ( 767 PWs) bands (ev): -24.5465 -24.5465 -10.2459 -10.2459 -5.3827 -5.3827 -4.1982 -4.1982 -3.6582 -3.6582 2.7080 2.7080 3.9476 3.9476 14.5122 14.5122 18.2529 18.2529 19.3271 19.3271 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9980 0.1958 ( 766 PWs) bands (ev): -24.4608 -24.4608 -10.0859 -10.0859 -5.2008 -5.2008 -4.6140 -4.6140 -3.7391 -3.7391 2.7972 2.7972 3.3873 3.3873 14.7088 14.7088 18.2633 18.2633 19.5327 19.5327 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9980 0.3537 ( 761 PWs) bands (ev): -24.3900 -24.3900 -10.0413 -10.0413 -5.1650 -5.1650 -4.8393 -4.8393 -3.5616 -3.5616 2.5017 2.5017 3.3607 3.3607 14.7471 14.7471 17.5814 17.5814 19.7320 19.7320 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9980 0.5116 ( 762 PWs) bands (ev): -24.3581 -24.3581 -10.1280 -10.1280 -5.3984 -5.3984 -4.5575 -4.5575 -3.3415 -3.3415 2.1324 2.1324 3.6638 3.6638 14.6049 14.6049 16.6800 16.6800 19.8356 19.8356 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9456 0.9456 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9980-1.0674 ( 754 PWs) bands (ev): -24.3760 -24.3760 -10.3157 -10.3157 -5.3986 -5.3986 -4.2969 -4.2969 -3.1738 -3.1738 2.0352 2.0352 3.9547 3.9547 14.3916 14.3916 15.9028 15.9028 19.8956 19.8956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9980-0.9095 ( 753 PWs) bands (ev): -24.4374 -24.4374 -10.5407 -10.5407 -5.1955 -5.1955 -4.1440 -4.1440 -3.0879 -3.0879 2.2247 2.2247 4.1330 4.1330 14.1753 14.1753 15.5625 15.5625 19.8863 19.8863 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9980-0.7516 ( 761 PWs) bands (ev): -24.5214 -24.5214 -10.7311 -10.7311 -4.9991 -4.9991 -4.0163 -4.0163 -3.0667 -3.0667 2.5704 2.5704 4.2100 4.2100 13.9547 13.9547 15.8024 15.8024 19.8189 19.8189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9980-0.5937 ( 764 PWs) bands (ev): -24.6009 -24.6009 -10.8296 -10.8296 -5.0521 -5.0521 -3.8034 -3.8034 -3.0468 -3.0468 2.8192 2.8192 4.3330 4.3330 13.8442 13.8442 16.3578 16.3578 19.6935 19.6936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9980-0.4358 ( 763 PWs) bands (ev): -24.6515 -24.6515 -10.8086 -10.8086 -5.2480 -5.2480 -3.7483 -3.7483 -2.9490 -2.9490 2.8205 2.8205 4.5573 4.5573 13.8817 13.8817 16.8584 16.8584 19.1869 19.1869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8428-0.2486 ( 771 PWs) bands (ev): -24.5901 -24.5901 -10.4066 -10.4066 -5.8317 -5.8317 -3.9308 -3.9308 -2.9711 -2.9711 2.2996 2.2996 4.6092 4.6092 14.6097 14.6097 17.6660 17.6660 18.4748 18.4748 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8428-0.0907 ( 771 PWs) bands (ev): -24.5672 -24.5672 -10.2620 -10.2620 -5.7944 -5.7944 -4.0508 -4.0508 -3.2231 -3.2231 2.3417 2.3417 4.4706 4.4706 14.7032 14.7032 17.7956 17.7956 18.7617 18.7617 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8428 0.0672 ( 765 PWs) bands (ev): -24.5100 -24.5100 -10.1158 -10.1158 -5.6298 -5.6298 -4.1519 -4.1519 -3.6330 -3.6330 2.4901 2.4901 4.0508 4.0508 14.7753 14.7753 18.3410 18.3410 18.7409 18.7409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8428 0.2251 ( 765 PWs) bands (ev): -24.4356 -24.4356 -10.0122 -10.0122 -5.4628 -5.4628 -4.3671 -4.3671 -3.7828 -3.7828 2.6233 2.6233 3.5779 3.5779 14.7750 14.7750 18.1515 18.1515 18.8472 18.8472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8428 0.3830 ( 762 PWs) bands (ev): -24.3674 -24.3674 -9.9821 -9.9821 -5.4977 -5.4977 -4.4578 -4.4578 -3.6357 -3.6357 2.4139 2.4139 3.5051 3.5051 14.6268 14.6268 17.3018 17.3018 19.1523 19.1523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8428 0.5409 ( 756 PWs) bands (ev): -24.3283 -24.3283 -10.0361 -10.0361 -5.6216 -5.6216 -4.3411 -4.3411 -3.4304 -3.4304 2.0641 2.0641 3.7183 3.7183 14.3941 14.3941 16.5536 16.5536 19.4076 19.4076 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2411 0.2411 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8428-1.0381 ( 757 PWs) bands (ev): -24.3316 -24.3316 -10.1602 -10.1602 -5.5878 -5.5878 -4.2676 -4.2676 -3.2675 -3.2675 1.9207 1.9207 3.8945 3.8945 14.3071 14.3071 16.0210 16.0210 19.6694 19.6694 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8428-0.8802 ( 754 PWs) bands (ev): -24.3760 -24.3760 -10.3157 -10.3157 -5.3986 -5.3986 -4.2969 -4.2969 -3.1738 -3.1738 2.0352 2.0352 3.9547 3.9547 14.3916 14.3916 15.9028 15.9028 19.8956 19.8956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8428-0.7223 ( 759 PWs) bands (ev): -24.4461 -24.4461 -10.4510 -10.4510 -5.3038 -5.3038 -4.2304 -4.2304 -3.1358 -3.1358 2.2795 2.2795 3.9760 3.9760 14.4168 14.4168 16.4122 16.4122 20.0592 20.0592 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8428-0.5644 ( 760 PWs) bands (ev): -24.5191 -24.5191 -10.5210 -10.5210 -5.4812 -5.4812 -3.9684 -3.9684 -3.0975 -3.0975 2.4079 2.4079 4.1448 4.1448 14.4336 14.4336 17.2291 17.2291 19.5643 19.5643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.8428-0.4065 ( 766 PWs) bands (ev): -24.5723 -24.5723 -10.5038 -10.5038 -5.7109 -5.7109 -3.8515 -3.8515 -2.9882 -2.9882 2.3585 2.3585 4.4437 4.4437 14.5096 14.5096 17.9296 17.9296 18.3180 18.3180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6876-0.2194 ( 768 PWs) bands (ev): -24.6033 -24.6033 -10.1892 -10.1892 -5.9982 -5.9982 -4.0404 -4.0404 -2.9557 -2.9557 2.2072 2.2072 4.5734 4.5734 15.2272 15.2272 16.9206 16.9206 19.1524 19.1524 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6876-0.0615 ( 772 PWs) bands (ev): -24.5973 -24.5973 -10.1045 -10.1045 -5.9134 -5.9134 -4.1109 -4.1109 -3.1483 -3.1483 2.3335 2.3335 4.5038 4.5038 15.1917 15.1917 17.0898 17.0898 19.2309 19.2309 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6876 0.0964 ( 764 PWs) bands (ev): -24.5507 -24.5507 -10.0239 -10.0239 -5.7248 -5.7248 -4.1256 -4.1256 -3.5382 -3.5382 2.5614 2.5614 4.1497 4.1497 15.0603 15.0603 17.4731 17.4731 19.0873 19.0873 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6876 0.2543 ( 765 PWs) bands (ev): -24.4773 -24.4773 -9.9678 -9.9678 -5.5851 -5.5851 -4.1043 -4.1043 -3.8359 -3.8359 2.7390 2.7390 3.7193 3.7193 14.8432 14.8432 17.5713 17.5713 18.5922 18.5922 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2268 0.2268 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6876 0.4122 ( 766 PWs) bands (ev): -24.3999 -24.3999 -9.9477 -9.9477 -5.6240 -5.6240 -4.1475 -4.1475 -3.7706 -3.7706 2.5677 2.5677 3.5982 3.5982 14.5485 14.5485 17.1274 17.1274 18.6634 18.6634 occupation numbers 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.1818-0.6876 0.5701 ( 762 PWs) bands (ev): -24.3439 -24.3439 -9.9706 -9.9706 -5.7000 -5.7000 -4.1936 -4.1936 -3.5860 -3.5860 2.2297 2.2297 3.6888 3.6888 14.3401 14.3401 16.7431 16.7431 18.9895 18.9895 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7341 0.7341 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6876-1.0089 ( 756 PWs) bands (ev): -24.3283 -24.3283 -10.0361 -10.0361 -5.6216 -5.6216 -4.3411 -4.3411 -3.4304 -3.4304 2.0641 2.0641 3.7183 3.7183 14.3941 14.3941 16.5536 16.5536 19.4076 19.4076 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2411 0.2411 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6876-0.8510 ( 762 PWs) bands (ev): -24.3581 -24.3581 -10.1280 -10.1280 -5.3984 -5.3984 -4.5575 -4.5575 -3.3415 -3.3415 2.1324 2.1324 3.6638 3.6638 14.6049 14.6049 16.6800 16.6800 19.8356 19.8356 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9456 0.9456 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6876-0.6931 ( 759 PWs) bands (ev): -24.4227 -24.4227 -10.2138 -10.2138 -5.3943 -5.3943 -4.4812 -4.4812 -3.3013 -3.3013 2.2940 2.2940 3.6694 3.6694 14.7780 14.7780 17.1048 17.1048 20.1626 20.1626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9201 0.9201 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6876-0.5352 ( 761 PWs) bands (ev): -24.5006 -24.5006 -10.2599 -10.2599 -5.6768 -5.6768 -4.1350 -4.1350 -3.2285 -3.2285 2.3085 2.3085 3.9354 3.9354 14.9443 14.9443 17.3665 17.3665 19.9806 19.9806 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6876-0.3773 ( 773 PWs) bands (ev): -24.5675 -24.5675 -10.2494 -10.2494 -5.9149 -5.9149 -3.9936 -3.9936 -3.0441 -3.0441 2.2205 2.2205 4.3331 4.3331 15.1244 15.1244 17.1576 17.1576 19.3464 19.3464 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5325-0.1901 ( 762 PWs) bands (ev): -24.6936 -24.6936 -10.0943 -10.0943 -5.9518 -5.9518 -4.0891 -4.0891 -2.9182 -2.9182 2.4919 2.4919 4.5614 4.5614 15.7197 15.7197 16.0464 16.0464 19.9488 19.9488 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5325-0.0322 ( 761 PWs) bands (ev): -24.6993 -24.6993 -10.0386 -10.0386 -5.8835 -5.8835 -4.0985 -4.0985 -3.0502 -3.0502 2.6696 2.6696 4.5303 4.5303 15.5223 15.5223 16.2284 16.2284 20.1811 20.1811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5325 0.1257 ( 763 PWs) bands (ev): -24.6544 -24.6544 -9.9899 -9.9899 -5.7218 -5.7218 -4.0641 -4.0641 -3.4036 -3.4036 2.9280 2.9280 4.2037 4.2037 15.1987 15.1987 16.6285 16.6285 19.5752 19.5752 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5325 0.2836 ( 760 PWs) bands (ev): -24.5717 -24.5717 -9.9573 -9.9573 -5.5886 -5.5886 -4.0045 -4.0045 -3.7491 -3.7491 3.1170 3.1170 3.7635 3.7635 14.8770 14.8770 16.9574 16.9574 18.7285 18.7285 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0113 0.0113 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5325 0.4415 ( 760 PWs) bands (ev): -24.4766 -24.4766 -9.9417 -9.9417 -5.5919 -5.5919 -3.9510 -3.9510 -3.9140 -3.9140 2.9171 2.9171 3.6063 3.6063 14.6270 14.6270 17.0885 17.0885 18.4326 18.4326 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9992 0.9992 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5325 0.5994 ( 766 PWs) bands (ev): -24.3999 -24.3999 -9.9477 -9.9477 -5.6240 -5.6240 -4.1475 -4.1475 -3.7706 -3.7706 2.5677 2.5677 3.5982 3.5982 14.5485 14.5485 17.1274 17.1274 18.6634 18.6634 occupation numbers 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.1818-0.5325-0.9796 ( 762 PWs) bands (ev): -24.3674 -24.3674 -9.9821 -9.9821 -5.4977 -5.4977 -4.4578 -4.4578 -3.6357 -3.6357 2.4139 2.4139 3.5051 3.5051 14.6268 14.6268 17.3018 17.3018 19.1523 19.1523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5325-0.8217 ( 761 PWs) bands (ev): -24.3900 -24.3900 -10.0413 -10.0413 -5.1650 -5.1650 -4.8393 -4.8393 -3.5616 -3.5616 2.5017 2.5017 3.3607 3.3607 14.7471 14.7471 17.5814 17.5814 19.7320 19.7320 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5325-0.6638 ( 763 PWs) bands (ev): -24.4594 -24.4594 -10.1036 -10.1036 -5.2986 -5.2986 -4.6128 -4.6128 -3.5260 -3.5260 2.6374 2.6374 3.3799 3.3799 14.8909 14.8909 17.6451 17.6451 20.2315 20.2315 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5325-0.5059 ( 765 PWs) bands (ev): -24.5523 -24.5523 -10.1406 -10.1406 -5.6435 -5.6435 -4.1876 -4.1876 -3.4001 -3.4001 2.5548 2.5548 3.7857 3.7857 15.1171 15.1171 17.2462 17.2462 20.4244 20.4244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0022 0.0022 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5325-0.3480 ( 772 PWs) bands (ev): -24.6392 -24.6392 -10.1357 -10.1357 -5.8728 -5.8728 -4.0697 -4.0697 -3.0944 -3.0944 2.4589 2.4589 4.2713 4.2713 15.4258 15.4258 16.5770 16.5770 20.1117 20.1117 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3773-0.1609 ( 761 PWs) bands (ev): -24.8290 -24.8290 -10.1574 -10.1574 -5.8336 -5.8336 -3.9032 -3.9032 -2.8660 -2.8660 3.0699 3.0699 4.5835 4.5835 15.0234 15.0234 16.0436 16.0436 19.9293 19.9293 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3773-0.0030 ( 761 PWs) bands (ev): -24.8379 -24.8379 -10.0832 -10.0832 -5.8579 -5.8579 -3.8386 -3.8386 -2.9663 -2.9663 3.2556 3.2556 4.5428 4.5428 14.9434 14.9434 16.0329 16.0329 19.9312 19.9312 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3773 0.1549 ( 760 PWs) bands (ev): -24.7854 -24.7854 -10.0171 -10.0171 -5.7695 -5.7695 -3.7834 -3.7834 -3.3104 -3.3104 3.4858 3.4858 4.1916 4.1916 14.9192 14.9192 16.1880 16.1880 19.6638 19.6638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3773 0.3128 ( 765 PWs) bands (ev): -24.6868 -24.6868 -9.9746 -9.9746 -5.6407 -5.6407 -3.8566 -3.8566 -3.6126 -3.6126 3.6319 3.6319 3.7030 3.7030 14.8991 14.8991 16.4967 16.4967 19.1434 19.1434 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9945 0.9945 0.4929 0.4929 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3773 0.4707 ( 760 PWs) bands (ev): -24.5717 -24.5717 -9.9573 -9.9573 -5.5886 -5.5886 -4.0045 -4.0045 -3.7491 -3.7491 3.1170 3.1170 3.7635 3.7635 14.8770 14.8770 16.9574 16.9574 18.7285 18.7285 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0113 0.0113 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3773 0.6286 ( 765 PWs) bands (ev): -24.4773 -24.4773 -9.9678 -9.9678 -5.5851 -5.5851 -4.1043 -4.1043 -3.8359 -3.8359 2.7390 2.7390 3.7193 3.7193 14.8432 14.8432 17.5713 17.5713 18.5922 18.5922 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2268 0.2268 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3773-0.9504 ( 765 PWs) bands (ev): -24.4356 -24.4356 -10.0122 -10.0122 -5.4628 -5.4628 -4.3671 -4.3671 -3.7828 -3.7828 2.6233 2.6233 3.5779 3.5779 14.7750 14.7750 18.1515 18.1515 18.8472 18.8472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3773-0.7925 ( 766 PWs) bands (ev): -24.4608 -24.4608 -10.0859 -10.0859 -5.2008 -5.2008 -4.6140 -4.6140 -3.7391 -3.7391 2.7972 2.7972 3.3873 3.3873 14.7088 14.7088 18.2633 18.2633 19.5327 19.5327 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3773-0.6346 ( 762 PWs) bands (ev): -24.5437 -24.5437 -10.1641 -10.1641 -5.2319 -5.2319 -4.3823 -4.3823 -3.7250 -3.7250 3.1664 3.1664 3.2450 3.2450 14.7243 14.7243 17.8983 17.8983 20.2080 20.2080 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3773-0.4767 ( 768 PWs) bands (ev): -24.6561 -24.6561 -10.2128 -10.2128 -5.4799 -5.4799 -3.9976 -3.9976 -3.5512 -3.5512 3.0414 3.0414 3.7777 3.7777 14.8555 14.8555 17.1742 17.1742 20.4675 20.4677 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0040 0.0040 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3773-0.3188 ( 770 PWs) bands (ev): -24.7619 -24.7619 -10.2094 -10.2094 -5.6971 -5.6971 -3.9363 -3.9363 -3.1080 -3.1080 2.9927 2.9927 4.2920 4.2920 15.0173 15.0173 16.4219 16.4219 20.0724 20.0724 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3332-0.1974 ( 769 PWs) bands (ev): -24.8191 -24.8191 -10.3514 -10.3514 -5.5565 -5.5565 -3.9408 -3.9408 -2.8786 -2.8786 3.1497 3.1497 4.6067 4.6067 14.4857 14.4857 16.4032 16.4032 19.4570 19.4570 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3332-0.0395 ( 763 PWs) bands (ev): -24.8321 -24.8321 -10.2023 -10.2023 -5.6955 -5.6955 -3.8514 -3.8514 -2.9682 -2.9682 3.2929 3.2929 4.5444 4.5444 14.6432 14.6432 16.2538 16.2538 19.5581 19.5581 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3332 0.1184 ( 760 PWs) bands (ev): -24.7854 -24.7854 -10.0171 -10.0171 -5.7695 -5.7695 -3.7834 -3.7834 -3.3104 -3.3104 3.4858 3.4858 4.1916 4.1916 14.9192 14.9192 16.1880 16.1880 19.6638 19.6638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3332 0.2763 ( 759 PWs) bands (ev): -24.6923 -24.6923 -9.8584 -9.8584 -5.7783 -5.7783 -3.8969 -3.8969 -3.5900 -3.5900 3.6393 3.6393 3.6892 3.6892 15.2806 15.2806 16.1383 16.1383 19.3329 19.3329 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9906 0.9906 0.7287 0.7287 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3332 0.4342 ( 763 PWs) bands (ev): -24.5808 -24.5808 -9.7756 -9.7756 -5.7695 -5.7695 -4.0935 -4.0935 -3.7323 -3.7323 3.1405 3.1405 3.7486 3.7486 15.5143 15.5143 16.3275 16.3275 18.8091 18.8091 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0331 0.0331 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3332 0.5921 ( 762 PWs) bands (ev): -24.4869 -24.4869 -9.7894 -9.7894 -5.7365 -5.7365 -4.1056 -4.1056 -3.9469 -3.9469 2.7738 2.7738 3.7194 3.7194 15.4034 15.4034 16.9859 16.9859 18.4910 18.4910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2265 0.2265 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3332-0.9869 ( 767 PWs) bands (ev): -24.4423 -24.4423 -9.8944 -9.8944 -5.5642 -5.5642 -4.2621 -4.2621 -3.9881 -3.9881 2.6743 2.6743 3.6008 3.6008 15.1206 15.1206 17.8632 17.8632 18.4817 18.4817 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9994 0.9994 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3332-0.8290 ( 767 PWs) bands (ev): -24.4623 -24.4623 -10.0616 -10.0616 -5.1926 -5.1926 -4.5506 -4.5506 -3.9078 -3.9078 2.8540 2.8540 3.4576 3.4576 14.7822 14.7822 18.4201 18.4201 18.9226 18.9226 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3332-0.6711 ( 761 PWs) bands (ev): -24.5392 -24.5392 -10.2404 -10.2404 -4.9914 -4.9914 -4.4585 -4.4585 -3.8648 -3.8648 3.1290 3.1290 3.4598 3.4598 14.5004 14.5004 18.3067 18.3067 19.5702 19.5702 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3332-0.5132 ( 768 PWs) bands (ev): -24.6468 -24.6468 -10.3728 -10.3728 -5.1858 -5.1858 -4.0493 -4.0493 -3.6541 -3.6541 3.1177 3.1177 3.8967 3.8967 14.3681 14.3681 17.6536 17.6536 20.0242 20.0244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3332-0.3553 ( 772 PWs) bands (ev): -24.7506 -24.7506 -10.4148 -10.4148 -5.3814 -5.3814 -3.9921 -3.9921 -3.1498 -3.1498 3.0937 3.0937 4.3570 4.3570 14.3903 14.3903 16.8743 16.8743 19.6367 19.6367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1780-0.1682 ( 769 PWs) bands (ev): -24.9469 -24.9469 -10.6822 -10.6822 -5.2235 -5.2235 -3.5340 -3.5340 -2.8163 -2.8163 3.8405 3.8405 4.6789 4.6789 13.6180 13.6180 15.9330 15.9330 18.6150 18.6150 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1780-0.0103 ( 766 PWs) bands (ev): -24.9541 -24.9541 -10.4906 -10.4906 -5.4714 -5.4714 -3.4003 -3.4003 -2.9235 -2.9235 3.9508 3.9508 4.5607 4.5607 13.7259 13.7259 16.0792 16.0792 18.7013 18.7013 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1780 0.1476 ( 762 PWs) bands (ev): -24.8948 -24.8948 -10.2415 -10.2415 -5.6598 -5.6598 -3.3369 -3.3369 -3.2968 -3.2968 3.9903 3.9903 4.2069 4.2069 14.1762 14.1762 16.2100 16.2100 19.1330 19.1330 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1780 0.3055 ( 760 PWs) bands (ev): -24.7854 -24.7854 -10.0171 -10.0171 -5.7695 -5.7695 -3.7834 -3.7834 -3.3104 -3.3104 3.4858 3.4858 4.1916 4.1916 14.9192 14.9192 16.1880 16.1880 19.6638 19.6638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1780 0.4634 ( 759 PWs) bands (ev): -24.6591 -24.6591 -9.8945 -9.8945 -5.8355 -5.8355 -4.0701 -4.0701 -3.4066 -3.4066 2.9022 2.9022 4.2137 4.2137 15.8310 15.8310 16.0013 16.0013 19.6887 19.6887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1780 0.6213 ( 770 PWs) bands (ev): -24.5565 -24.5565 -9.9125 -9.9125 -5.8536 -5.8536 -4.1111 -4.1111 -3.5674 -3.5674 2.5133 2.5133 4.1815 4.1815 15.6086 15.6086 16.8491 16.8491 19.0411 19.0411 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1780-0.9577 ( 768 PWs) bands (ev): -24.5129 -24.5129 -10.0612 -10.0612 -5.7195 -5.7195 -4.0552 -4.0552 -3.7172 -3.7172 2.4412 2.4412 4.1126 4.1126 15.1061 15.1061 17.8386 17.8386 18.5594 18.5594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1780-0.7998 ( 766 PWs) bands (ev): -24.5434 -24.5434 -10.2911 -10.2911 -5.3784 -5.3784 -4.0675 -4.0675 -3.7566 -3.7566 2.6872 2.6872 4.0447 4.0447 14.5740 14.5740 18.1799 18.1799 18.7824 18.7824 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1780-0.6419 ( 769 PWs) bands (ev): -24.6367 -24.6367 -10.5293 -10.5293 -4.9694 -4.9694 -4.0171 -4.0171 -3.7330 -3.7330 3.1341 3.1341 4.0285 4.0285 14.1378 14.1378 17.6351 17.6351 19.6053 19.6053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1780-0.4840 ( 770 PWs) bands (ev): -24.7606 -24.7606 -10.7027 -10.7027 -4.8408 -4.8408 -3.7600 -3.7600 -3.5650 -3.5650 3.5464 3.5464 4.1669 4.1669 13.8692 13.8692 16.8155 16.8155 19.3943 19.3944 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1780-0.3261 ( 771 PWs) bands (ev): -24.8754 -24.8754 -10.7596 -10.7596 -4.9814 -4.9814 -3.6605 -3.6605 -3.0814 -3.0814 3.7325 3.7325 4.4868 4.4868 13.7185 13.7185 16.1240 16.1240 18.8853 18.8853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1006 0.1006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0229-0.1389 ( 769 PWs) bands (ev): -25.0343 -25.0343 -11.0304 -11.0304 -4.8813 -4.8813 -3.1601 -3.1601 -2.7153 -2.7153 4.3668 4.3668 4.7892 4.7892 12.8574 12.8574 15.2015 15.2015 18.1947 18.1947 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0229 0.0190 ( 770 PWs) bands (ev): -25.0285 -25.0285 -10.7989 -10.7989 -5.1946 -5.1946 -3.1003 -3.1003 -2.8250 -2.8250 4.3434 4.3434 4.6616 4.6616 13.0694 13.0694 15.6578 15.6578 18.2273 18.2273 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0229 0.1769 ( 766 PWs) bands (ev): -24.9541 -24.9541 -10.4906 -10.4906 -5.4714 -5.4714 -3.4003 -3.4003 -2.9235 -2.9235 3.9508 3.9508 4.5607 4.5607 13.7259 13.7259 16.0792 16.0792 18.7013 18.7013 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0229 0.3348 ( 763 PWs) bands (ev): -24.8321 -24.8321 -10.2023 -10.2023 -5.6955 -5.6955 -3.8514 -3.8514 -2.9682 -2.9682 3.2929 3.2929 4.5444 4.5444 14.6432 14.6432 16.2538 16.2538 19.5581 19.5581 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0229 0.4927 ( 761 PWs) bands (ev): -24.6993 -24.6993 -10.0386 -10.0386 -5.8835 -5.8835 -4.0985 -4.0985 -3.0502 -3.0502 2.6696 2.6696 4.5303 4.5303 15.5223 15.5223 16.2284 16.2284 20.1811 20.1811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0229 0.6506 ( 773 PWs) bands (ev): -24.5995 -24.5995 -10.0613 -10.0613 -5.9799 -5.9799 -4.0828 -4.0828 -3.1523 -3.1523 2.2937 2.2937 4.5122 4.5122 15.5224 15.5224 16.7588 16.7588 19.1599 19.1599 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0229-0.9284 ( 771 PWs) bands (ev): -24.5672 -24.5672 -10.2570 -10.2570 -5.8606 -5.8606 -3.9524 -3.9524 -3.2400 -3.2400 2.2857 2.2857 4.4967 4.4967 14.9529 14.9529 17.5886 17.5886 18.4296 18.4296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0229-0.7705 ( 766 PWs) bands (ev): -24.6137 -24.6137 -10.5514 -10.5514 -5.4754 -5.4754 -3.8520 -3.8520 -3.2770 -3.2770 2.6331 2.6331 4.4928 4.4928 14.3010 14.3010 17.4969 17.4969 18.7133 18.7133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0229-0.6126 ( 771 PWs) bands (ev): -24.7219 -24.7219 -10.8467 -10.8467 -4.9162 -4.9162 -3.8160 -3.8160 -3.2394 -3.2394 3.2080 3.2080 4.5093 4.5093 13.7412 13.7412 16.6061 16.6061 19.6093 19.6093 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0229-0.4547 ( 771 PWs) bands (ev): -24.8548 -24.8548 -11.0560 -11.0560 -4.5224 -4.5224 -3.6789 -3.6789 -3.1141 -3.1141 3.8179 3.8179 4.5619 4.5619 13.3443 13.3443 15.6540 15.6540 19.0439 19.0439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0229-0.2968 ( 773 PWs) bands (ev): -24.9702 -24.9702 -11.1233 -11.1233 -4.6011 -4.6011 -3.3606 -3.3606 -2.8829 -2.8829 4.2282 4.2282 4.6896 4.6896 13.0379 13.0379 15.1053 15.1053 18.5104 18.5104 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1323-0.1097 ( 760 PWs) bands (ev): -25.0563 -25.0563 -11.2904 -11.2904 -4.5407 -4.5407 -3.0631 -3.0631 -2.6310 -2.6310 4.5783 4.5783 4.8789 4.8789 12.4880 12.4880 14.5348 14.5348 18.1577 18.1577 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1323 0.0482 ( 769 PWs) bands (ev): -25.0343 -25.0343 -11.0304 -11.0304 -4.8813 -4.8813 -3.1601 -3.1601 -2.7153 -2.7153 4.3668 4.3668 4.7892 4.7892 12.8574 12.8574 15.2015 15.2015 18.1947 18.1947 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1323 0.2061 ( 769 PWs) bands (ev): -24.9469 -24.9469 -10.6822 -10.6822 -5.2235 -5.2235 -3.5340 -3.5340 -2.8163 -2.8163 3.8405 3.8405 4.6789 4.6789 13.6180 13.6180 15.9330 15.9330 18.6150 18.6150 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1323 0.3640 ( 769 PWs) bands (ev): -24.8191 -24.8191 -10.3514 -10.3514 -5.5565 -5.5565 -3.9408 -3.9408 -2.8786 -2.8786 3.1497 3.1497 4.6067 4.6067 14.4857 14.4857 16.4032 16.4032 19.4570 19.4570 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1323 0.5219 ( 763 PWs) bands (ev): -24.6902 -24.6902 -10.1606 -10.1606 -5.8549 -5.8549 -4.1139 -4.1139 -2.9254 -2.9254 2.5376 2.5376 4.5709 4.5709 15.1529 15.1529 16.5791 16.5791 19.9011 19.9011 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1323 0.6798 ( 768 PWs) bands (ev): -24.6033 -24.6033 -10.1892 -10.1892 -5.9982 -5.9982 -4.0404 -4.0404 -2.9557 -2.9557 2.2072 2.2072 4.5734 4.5734 15.2272 15.2272 16.9206 16.9206 19.1524 19.1524 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1323-0.8992 ( 776 PWs) bands (ev): -24.5890 -24.5890 -10.4212 -10.4212 -5.8625 -5.8625 -3.8639 -3.8639 -2.9651 -2.9651 2.2673 2.2673 4.6099 4.6099 14.7260 14.7260 17.6021 17.6021 18.2653 18.2653 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1323-0.7413 ( 769 PWs) bands (ev): -24.6519 -24.6519 -10.7621 -10.7621 -5.4239 -5.4239 -3.7161 -3.7161 -2.9511 -2.9511 2.6931 2.6931 4.6673 4.6673 14.0428 14.0428 17.0009 17.0009 18.7491 18.7491 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1323-0.5834 ( 768 PWs) bands (ev): -24.7693 -24.7693 -11.0954 -11.0954 -4.7806 -4.7806 -3.6506 -3.6506 -2.9111 -2.9111 3.3459 3.3459 4.7265 4.7265 13.4174 13.4174 15.7745 15.7745 19.4379 19.4379 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1323-0.4255 ( 766 PWs) bands (ev): -24.9015 -24.9015 -11.3261 -11.3261 -4.2445 -4.2445 -3.5538 -3.5538 -2.8398 -2.8398 4.0279 4.0279 4.7721 4.7721 12.9469 12.9469 14.7285 14.7285 18.8886 18.8886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1323-0.2676 ( 767 PWs) bands (ev): -25.0074 -25.0074 -11.3968 -11.3968 -4.2613 -4.2613 -3.2200 -3.2200 -2.7234 -2.7234 4.5017 4.5017 4.8191 4.8191 12.5939 12.5939 14.2805 14.2805 18.4211 18.4211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2875-0.0804 ( 767 PWs) bands (ev): -25.0074 -25.0074 -11.3968 -11.3968 -4.2613 -4.2613 -3.2200 -3.2200 -2.7234 -2.7234 4.5017 4.5017 4.8191 4.8191 12.5939 12.5939 14.2805 14.2805 18.4211 18.4211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2875 0.0775 ( 773 PWs) bands (ev): -24.9702 -24.9702 -11.1233 -11.1233 -4.6011 -4.6011 -3.3606 -3.3606 -2.8829 -2.8829 4.2282 4.2282 4.6896 4.6896 13.0379 13.0379 15.1053 15.1053 18.5104 18.5104 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2875 0.2354 ( 771 PWs) bands (ev): -24.8754 -24.8754 -10.7596 -10.7596 -4.9814 -4.9814 -3.6605 -3.6605 -3.0814 -3.0814 3.7325 3.7325 4.4868 4.4868 13.7185 13.7185 16.1240 16.1240 18.8853 18.8853 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1006 0.1006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2875 0.3933 ( 772 PWs) bands (ev): -24.7506 -24.7506 -10.4148 -10.4148 -5.3814 -5.3814 -3.9921 -3.9921 -3.1498 -3.1498 3.0937 3.0937 4.3570 4.3570 14.3903 14.3903 16.8743 16.8743 19.6367 19.6368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2875 0.5512 ( 771 PWs) bands (ev): -24.6349 -24.6349 -10.2177 -10.2177 -5.7264 -5.7264 -4.1222 -4.1222 -3.1339 -3.1339 2.5391 2.5391 4.3125 4.3125 14.8587 14.8587 17.1608 17.1608 19.9058 19.9058 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2875 0.7091 ( 766 PWs) bands (ev): -24.5675 -24.5675 -10.2535 -10.2535 -5.8703 -5.8703 -4.0384 -4.0384 -3.0696 -3.0696 2.2618 2.2618 4.3480 4.3480 14.9188 14.9188 17.4211 17.4211 19.3039 19.3039 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2875-0.8699 ( 766 PWs) bands (ev): -24.5723 -24.5723 -10.5038 -10.5038 -5.7109 -5.7109 -3.8515 -3.8515 -2.9882 -2.9882 2.3585 2.3585 4.4437 4.4437 14.5096 14.5096 17.9296 17.9296 18.3180 18.3180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2875-0.7120 ( 764 PWs) bands (ev): -24.6472 -24.6472 -10.8639 -10.8639 -5.2489 -5.2489 -3.6733 -3.6733 -2.9220 -2.9220 2.8015 2.8015 4.5632 4.5632 13.8696 13.8696 16.7082 16.7082 19.1852 19.1852 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2875-0.5541 ( 764 PWs) bands (ev): -24.7654 -24.7654 -11.2101 -11.2101 -4.5961 -4.5961 -3.5601 -3.5601 -2.8901 -2.8901 3.4583 3.4583 4.6608 4.6608 13.2519 13.2519 15.3335 15.3335 19.3693 19.3693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2875-0.3962 ( 758 PWs) bands (ev): -24.8878 -24.8878 -11.4452 -11.4452 -4.0458 -4.0458 -3.4450 -3.4450 -2.8794 -2.8794 4.1398 4.1398 4.6963 4.6963 12.7989 12.7989 14.3182 14.3182 18.9205 18.9205 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2875-0.2383 ( 758 PWs) bands (ev): -24.9770 -24.9770 -11.5125 -11.5125 -4.0140 -4.0140 -3.2197 -3.2197 -2.8039 -2.8039 4.6281 4.6281 4.6611 4.6611 12.5451 12.5451 13.9483 13.9483 18.5759 18.5759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4426-0.0512 ( 766 PWs) bands (ev): -24.9015 -24.9015 -11.3261 -11.3261 -4.2445 -4.2445 -3.5538 -3.5538 -2.8398 -2.8398 4.0279 4.0279 4.7721 4.7721 12.9469 12.9469 14.7285 14.7285 18.8886 18.8886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4426 0.1067 ( 771 PWs) bands (ev): -24.8548 -24.8548 -11.0560 -11.0560 -4.5224 -4.5224 -3.6789 -3.6789 -3.1141 -3.1141 3.8179 3.8179 4.5619 4.5619 13.3443 13.3443 15.6540 15.6540 19.0439 19.0439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4426 0.2646 ( 770 PWs) bands (ev): -24.7606 -24.7606 -10.7027 -10.7027 -4.8408 -4.8408 -3.7600 -3.7600 -3.5650 -3.5650 3.5464 3.5464 4.1669 4.1669 13.8692 13.8692 16.8155 16.8155 19.3943 19.3944 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4426 0.4225 ( 768 PWs) bands (ev): -24.6468 -24.6468 -10.3728 -10.3728 -5.1858 -5.1858 -4.0493 -4.0493 -3.6541 -3.6541 3.1177 3.1177 3.8967 3.8967 14.3681 14.3681 17.6536 17.6536 20.0242 20.0246 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4426 0.5804 ( 765 PWs) bands (ev): -24.5498 -24.5498 -10.1895 -10.1895 -5.4957 -5.4957 -4.2273 -4.2273 -3.5238 -3.5238 2.6489 2.6489 3.8552 3.8552 14.7009 14.7009 17.8859 17.8859 19.8612 19.8612 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4426 0.7383 ( 765 PWs) bands (ev): -24.5027 -24.5027 -10.2317 -10.2317 -5.6258 -5.6258 -4.1757 -4.1757 -3.3393 -3.3393 2.3885 2.3885 3.9569 3.9569 14.7266 14.7266 17.8767 17.8767 19.5228 19.5228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4426-0.8407 ( 767 PWs) bands (ev): -24.5221 -24.5221 -10.4792 -10.4792 -5.4753 -5.4753 -3.9970 -3.9970 -3.1634 -3.1634 2.4501 2.4501 4.1385 4.1385 14.3929 14.3929 17.4738 17.4738 19.3408 19.3408 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4426-0.6828 ( 764 PWs) bands (ev): -24.6009 -24.6009 -10.8296 -10.8296 -5.0521 -5.0521 -3.8034 -3.8034 -3.0468 -3.0468 2.8192 2.8192 4.3330 4.3330 13.8442 13.8442 16.3578 16.3578 19.6933 19.6935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4426-0.5249 ( 760 PWs) bands (ev): -24.7114 -24.7114 -11.1633 -11.1633 -4.4780 -4.4780 -3.6601 -3.6601 -3.0082 -3.0082 3.3788 3.3788 4.4763 4.4763 13.3007 13.3007 15.2448 15.2448 19.4165 19.4165 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4426-0.3670 ( 752 PWs) bands (ev): -24.8177 -24.8177 -11.3865 -11.3865 -4.0524 -4.0524 -3.5202 -3.5202 -3.0016 -3.0016 3.9244 3.9244 4.5569 4.5569 12.9259 12.9259 14.5109 14.5109 19.1173 19.1173 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4426-0.2091 ( 758 PWs) bands (ev): -24.8878 -24.8878 -11.4452 -11.4452 -4.0458 -4.0458 -3.4450 -3.4450 -2.8794 -2.8794 4.1398 4.1398 4.6963 4.6963 12.7989 12.7989 14.3182 14.3182 18.9205 18.9205 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1090-0.3437 ( 768 PWs) bands (ev): -24.7693 -24.7693 -11.0954 -11.0954 -4.7806 -4.7806 -3.6506 -3.6506 -2.9111 -2.9111 3.3459 3.3459 4.7265 4.7265 13.4174 13.4174 15.7745 15.7745 19.4379 19.4379 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1090-0.1858 ( 771 PWs) bands (ev): -24.7219 -24.7219 -10.8467 -10.8467 -4.9162 -4.9162 -3.8160 -3.8160 -3.2394 -3.2394 3.2080 3.2080 4.5093 4.5093 13.7412 13.7412 16.6061 16.6061 19.6093 19.6093 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1090-0.0279 ( 769 PWs) bands (ev): -24.6367 -24.6367 -10.5293 -10.5293 -4.9694 -4.9694 -4.0171 -4.0171 -3.7330 -3.7330 3.1341 3.1341 4.0285 4.0285 14.1378 14.1378 17.6351 17.6351 19.6053 19.6053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1090 0.1300 ( 761 PWs) bands (ev): -24.5392 -24.5392 -10.2404 -10.2404 -4.9914 -4.9914 -4.4585 -4.4585 -3.8648 -3.8648 3.1290 3.1290 3.4598 3.4598 14.5004 14.5004 18.3067 18.3067 19.5702 19.5702 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1090 0.2879 ( 766 PWs) bands (ev): -24.4608 -24.4608 -10.0859 -10.0859 -5.2008 -5.2008 -4.6140 -4.6140 -3.7391 -3.7391 2.7972 2.7972 3.3873 3.3873 14.7088 14.7088 18.2633 18.2633 19.5327 19.5327 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1090 0.4458 ( 763 PWs) bands (ev): -24.4283 -24.4283 -10.1300 -10.1300 -5.4021 -5.4021 -4.4520 -4.4520 -3.5202 -3.5202 2.4607 2.4607 3.6225 3.6225 14.6653 14.6653 17.7231 17.7231 19.4978 19.4978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9972 0.9972 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1090-1.1332 ( 756 PWs) bands (ev): -24.4531 -24.4531 -10.3533 -10.3533 -5.3419 -5.3419 -4.2139 -4.2139 -3.3081 -3.3081 2.4075 2.4075 3.9073 3.9073 14.3775 14.3775 16.8871 16.8871 19.5640 19.5640 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1090-0.9753 ( 761 PWs) bands (ev): -24.5263 -24.5263 -10.6673 -10.6673 -5.0341 -5.0341 -4.0045 -4.0045 -3.1620 -3.1620 2.6361 2.6361 4.1593 4.1593 13.9643 13.9643 16.0465 16.0465 19.6092 19.6092 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1090-0.8174 ( 755 PWs) bands (ev): -24.6228 -24.6228 -10.9658 -10.9658 -4.6399 -4.6399 -3.8533 -3.8533 -3.0807 -3.0807 3.0339 3.0339 4.3325 4.3325 13.5647 13.5647 15.4732 15.4732 19.5274 19.5274 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1090-0.6595 ( 760 PWs) bands (ev): -24.7114 -24.7114 -11.1633 -11.1633 -4.4780 -4.4780 -3.6601 -3.6601 -3.0082 -3.0082 3.3788 3.3788 4.4763 4.4763 13.3007 13.3007 15.2448 15.2448 19.4165 19.4165 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1090-0.5016 ( 764 PWs) bands (ev): -24.7654 -24.7654 -11.2101 -11.2101 -4.5961 -4.5961 -3.5601 -3.5601 -2.8901 -2.8901 3.4583 3.4583 4.6608 4.6608 13.2519 13.2519 15.3335 15.3335 19.3693 19.3693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9539-0.3145 ( 769 PWs) bands (ev): -24.6519 -24.6519 -10.7621 -10.7621 -5.4239 -5.4239 -3.7161 -3.7161 -2.9511 -2.9511 2.6931 2.6931 4.6673 4.6673 14.0428 14.0428 17.0009 17.0009 18.7491 18.7491 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9539-0.1566 ( 766 PWs) bands (ev): -24.6137 -24.6137 -10.5514 -10.5514 -5.4754 -5.4754 -3.8520 -3.8520 -3.2770 -3.2770 2.6331 2.6331 4.4928 4.4928 14.3010 14.3010 17.4969 17.4969 18.7133 18.7133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9539 0.0013 ( 766 PWs) bands (ev): -24.5434 -24.5434 -10.2911 -10.2911 -5.3784 -5.3784 -4.0675 -4.0675 -3.7566 -3.7566 2.6872 2.6872 4.0447 4.0447 14.5740 14.5740 18.1799 18.1799 18.7824 18.7824 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9539 0.1592 ( 767 PWs) bands (ev): -24.4623 -24.4623 -10.0616 -10.0616 -5.1926 -5.1926 -4.5506 -4.5506 -3.9078 -3.9078 2.8540 2.8540 3.4576 3.4576 14.7822 14.7822 18.4201 18.4201 18.9226 18.9226 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9539 0.3171 ( 766 PWs) bands (ev): -24.3961 -24.3961 -9.9433 -9.9433 -5.2659 -5.2659 -4.6963 -4.6963 -3.8264 -3.8264 2.7980 2.7980 3.2094 3.2094 14.8170 14.8170 17.9928 17.9928 19.0492 19.0492 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9539 0.4750 ( 762 PWs) bands (ev): -24.3674 -24.3674 -9.9821 -9.9821 -5.4977 -5.4977 -4.4578 -4.4578 -3.6357 -3.6357 2.4139 2.4139 3.5051 3.5051 14.6268 14.6268 17.3018 17.3018 19.1523 19.1523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9539-1.1040 ( 755 PWs) bands (ev): -24.3864 -24.3864 -10.1637 -10.1637 -5.4930 -5.4930 -4.2346 -4.2346 -3.4328 -3.4328 2.2679 2.2679 3.8001 3.8001 14.3479 14.3479 16.5946 16.5946 19.3166 19.3166 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0008 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9539-0.9461 ( 758 PWs) bands (ev): -24.4462 -24.4462 -10.4209 -10.4209 -5.2719 -5.2719 -4.1027 -4.1027 -3.2776 -3.2776 2.3798 2.3798 4.0157 4.0157 14.1363 14.1363 16.0985 16.0985 19.4879 19.4879 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9539-0.7882 ( 761 PWs) bands (ev): -24.5263 -24.5263 -10.6673 -10.6673 -5.0341 -5.0341 -4.0045 -4.0045 -3.1620 -3.1620 2.6361 2.6361 4.1593 4.1593 13.9643 13.9643 16.0465 16.0465 19.6092 19.6092 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9539-0.6303 ( 764 PWs) bands (ev): -24.6009 -24.6009 -10.8296 -10.8296 -5.0521 -5.0521 -3.8034 -3.8034 -3.0468 -3.0468 2.8192 2.8192 4.3330 4.3330 13.8442 13.8442 16.3578 16.3578 19.6936 19.6936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9539-0.4724 ( 764 PWs) bands (ev): -24.6472 -24.6472 -10.8639 -10.8639 -5.2489 -5.2489 -3.6733 -3.6733 -2.9220 -2.9220 2.8015 2.8015 4.5632 4.5632 13.8696 13.8696 16.7082 16.7082 19.1852 19.1852 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7987-0.2852 ( 776 PWs) bands (ev): -24.5890 -24.5890 -10.4212 -10.4212 -5.8625 -5.8625 -3.8639 -3.8639 -2.9651 -2.9651 2.2673 2.2673 4.6099 4.6099 14.7260 14.7260 17.6021 17.6021 18.2653 18.2653 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7987-0.1273 ( 771 PWs) bands (ev): -24.5672 -24.5672 -10.2570 -10.2570 -5.8606 -5.8606 -3.9524 -3.9524 -3.2400 -3.2400 2.2857 2.2857 4.4967 4.4967 14.9529 14.9529 17.5886 17.5886 18.4296 18.4296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7987 0.0306 ( 768 PWs) bands (ev): -24.5129 -24.5129 -10.0612 -10.0612 -5.7195 -5.7195 -4.0552 -4.0552 -3.7172 -3.7172 2.4412 2.4412 4.1126 4.1126 15.1061 15.1061 17.8386 17.8386 18.5594 18.5594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7987 0.1885 ( 767 PWs) bands (ev): -24.4423 -24.4423 -9.8944 -9.8944 -5.5642 -5.5642 -4.2621 -4.2621 -3.9881 -3.9881 2.6743 2.6743 3.6008 3.6008 15.1206 15.1206 17.8632 17.8632 18.4817 18.4817 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9994 0.9994 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7987 0.3464 ( 765 PWs) bands (ev): -24.3776 -24.3776 -9.8103 -9.8103 -5.6083 -5.6083 -4.3575 -4.3575 -3.9363 -3.9363 2.7079 2.7079 3.3286 3.3286 14.9142 14.9142 17.4627 17.4627 18.5131 18.5131 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7987 0.5043 ( 764 PWs) bands (ev): -24.3405 -24.3405 -9.8381 -9.8381 -5.7357 -5.7357 -4.2507 -4.2507 -3.7738 -3.7738 2.4048 2.4048 3.5018 3.5018 14.5571 14.5571 17.0692 17.0692 18.6999 18.6999 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7987-1.0747 ( 762 PWs) bands (ev): -24.3439 -24.3439 -9.9706 -9.9706 -5.7000 -5.7000 -4.1936 -4.1936 -3.5860 -3.5860 2.2297 2.2297 3.6888 3.6888 14.3401 14.3401 16.7431 16.7431 18.9895 18.9895 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.7341 0.7341 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7987-0.9168 ( 755 PWs) bands (ev): -24.3864 -24.3864 -10.1637 -10.1637 -5.4930 -5.4930 -4.2346 -4.2346 -3.4328 -3.4328 2.2679 2.2679 3.8001 3.8001 14.3479 14.3479 16.5946 16.5946 19.3166 19.3166 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0008 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7987-0.7589 ( 756 PWs) bands (ev): -24.4531 -24.4531 -10.3533 -10.3533 -5.3419 -5.3419 -4.2139 -4.2139 -3.3081 -3.3081 2.4075 2.4075 3.9073 3.9073 14.3775 14.3775 16.8871 16.8871 19.5640 19.5640 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7987-0.6010 ( 767 PWs) bands (ev): -24.5221 -24.5221 -10.4792 -10.4792 -5.4753 -5.4753 -3.9970 -3.9970 -3.1634 -3.1634 2.4501 2.4501 4.1385 4.1385 14.3929 14.3929 17.4738 17.4738 19.3408 19.3408 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7987-0.4431 ( 766 PWs) bands (ev): -24.5723 -24.5723 -10.5038 -10.5038 -5.7109 -5.7109 -3.8515 -3.8515 -2.9882 -2.9882 2.3585 2.3585 4.4437 4.4437 14.5096 14.5096 17.9296 17.9296 18.3180 18.3180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6435-0.2559 ( 768 PWs) bands (ev): -24.6033 -24.6033 -10.1892 -10.1892 -5.9982 -5.9982 -4.0404 -4.0404 -2.9557 -2.9557 2.2072 2.2072 4.5734 4.5734 15.2272 15.2272 16.9206 16.9206 19.1524 19.1524 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6435-0.0980 ( 773 PWs) bands (ev): -24.5995 -24.5995 -10.0613 -10.0613 -5.9799 -5.9799 -4.0828 -4.0828 -3.1523 -3.1523 2.2937 2.2937 4.5122 4.5122 15.5224 15.5224 16.7588 16.7588 19.1599 19.1599 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6435 0.0599 ( 770 PWs) bands (ev): -24.5565 -24.5565 -9.9125 -9.9125 -5.8536 -5.8536 -4.1111 -4.1111 -3.5674 -3.5674 2.5133 2.5133 4.1815 4.1815 15.6086 15.6086 16.8491 16.8491 19.0411 19.0411 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6435 0.2178 ( 762 PWs) bands (ev): -24.4869 -24.4869 -9.7894 -9.7894 -5.7365 -5.7365 -4.1056 -4.1056 -3.9469 -3.9469 2.7738 2.7738 3.7194 3.7194 15.4034 15.4034 16.9859 16.9859 18.4910 18.4910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2265 0.2265 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6435 0.3757 ( 768 PWs) bands (ev): -24.4122 -24.4122 -9.7274 -9.7274 -5.7571 -5.7571 -4.0884 -4.0884 -4.0540 -4.0540 2.8279 2.8279 3.4265 3.4265 14.9953 14.9953 17.0195 17.0195 18.1838 18.1838 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6435 0.5336 ( 765 PWs) bands (ev): -24.3572 -24.3572 -9.7444 -9.7444 -5.8191 -5.8191 -4.1098 -4.1098 -3.9442 -3.9442 2.5709 2.5709 3.4660 3.4660 14.6443 14.6443 17.0123 17.0123 18.3243 18.3243 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6435-1.0455 ( 764 PWs) bands (ev): -24.3405 -24.3405 -9.8381 -9.8381 -5.7357 -5.7357 -4.2507 -4.2507 -3.7738 -3.7738 2.4048 2.4048 3.5018 3.5018 14.5571 14.5571 17.0692 17.0692 18.6999 18.6999 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6435-0.8875 ( 762 PWs) bands (ev): -24.3674 -24.3674 -9.9821 -9.9821 -5.4977 -5.4977 -4.4578 -4.4578 -3.6357 -3.6357 2.4139 2.4139 3.5051 3.5051 14.6268 14.6268 17.3018 17.3018 19.1523 19.1523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6435-0.7296 ( 763 PWs) bands (ev): -24.4283 -24.4283 -10.1300 -10.1300 -5.4021 -5.4021 -4.4520 -4.4520 -3.5202 -3.5202 2.4607 2.4607 3.6225 3.6225 14.6653 14.6653 17.7231 17.7231 19.4978 19.4978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9972 0.9972 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6435-0.5717 ( 765 PWs) bands (ev): -24.5027 -24.5027 -10.2317 -10.2317 -5.6258 -5.6258 -4.1757 -4.1757 -3.3393 -3.3393 2.3885 2.3885 3.9569 3.9569 14.7266 14.7266 17.8767 17.8767 19.5228 19.5228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6435-0.4138 ( 766 PWs) bands (ev): -24.5675 -24.5675 -10.2535 -10.2535 -5.8703 -5.8703 -4.0384 -4.0384 -3.0696 -3.0696 2.2618 2.2618 4.3480 4.3480 14.9188 14.9188 17.4211 17.4211 19.3039 19.3039 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4884-0.2267 ( 763 PWs) bands (ev): -24.6902 -24.6902 -10.1606 -10.1606 -5.8549 -5.8549 -4.1139 -4.1139 -2.9254 -2.9254 2.5376 2.5376 4.5709 4.5709 15.1529 15.1529 16.5791 16.5791 19.9011 19.9011 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4884-0.0688 ( 761 PWs) bands (ev): -24.6993 -24.6993 -10.0386 -10.0386 -5.8835 -5.8835 -4.0985 -4.0985 -3.0502 -3.0502 2.6696 2.6696 4.5303 4.5303 15.5223 15.5223 16.2284 16.2284 20.1811 20.1811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4884 0.0891 ( 759 PWs) bands (ev): -24.6591 -24.6591 -9.8945 -9.8945 -5.8355 -5.8355 -4.0701 -4.0701 -3.4066 -3.4066 2.9022 2.9022 4.2137 4.2137 15.8310 15.8310 16.0013 16.0013 19.6887 19.6887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4884 0.2470 ( 763 PWs) bands (ev): -24.5808 -24.5808 -9.7756 -9.7756 -5.7695 -5.7695 -4.0935 -4.0935 -3.7323 -3.7323 3.1405 3.1405 3.7486 3.7486 15.5143 15.5143 16.3275 16.3275 18.8091 18.8091 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0331 0.0331 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4884 0.4049 ( 770 PWs) bands (ev): -24.4886 -24.4886 -9.7152 -9.7152 -5.7598 -5.7598 -4.1506 -4.1506 -3.8864 -3.8864 3.1302 3.1302 3.4441 3.4441 15.1841 15.1841 16.6706 16.6706 18.2580 18.2580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4884 0.5628 ( 768 PWs) bands (ev): -24.4122 -24.4122 -9.7274 -9.7274 -5.7571 -5.7571 -4.0884 -4.0884 -4.0540 -4.0540 2.8279 2.8279 3.4265 3.4265 14.9953 14.9953 17.0195 17.0195 18.1838 18.1838 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4884-1.0162 ( 765 PWs) bands (ev): -24.3776 -24.3776 -9.8103 -9.8103 -5.6083 -5.6083 -4.3575 -4.3575 -3.9363 -3.9363 2.7079 2.7079 3.3286 3.3286 14.9142 14.9142 17.4627 17.4627 18.5131 18.5131 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4884-0.8583 ( 766 PWs) bands (ev): -24.3961 -24.3961 -9.9433 -9.9433 -5.2659 -5.2659 -4.6963 -4.6963 -3.8264 -3.8264 2.7980 2.7980 3.2094 3.2094 14.8170 14.8170 17.9928 17.9928 19.0492 19.0492 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4884-0.7004 ( 766 PWs) bands (ev): -24.4608 -24.4608 -10.0859 -10.0859 -5.2008 -5.2008 -4.6140 -4.6140 -3.7391 -3.7391 2.7972 2.7972 3.3873 3.3873 14.7088 14.7088 18.2633 18.2633 19.5327 19.5327 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4884-0.5425 ( 765 PWs) bands (ev): -24.5498 -24.5498 -10.1895 -10.1895 -5.4957 -5.4957 -4.2273 -4.2273 -3.5238 -3.5238 2.6489 2.6489 3.8552 3.8552 14.7009 14.7009 17.8859 17.8859 19.8612 19.8612 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4884-0.3846 ( 771 PWs) bands (ev): -24.6349 -24.6349 -10.2177 -10.2177 -5.7264 -5.7264 -4.1222 -4.1222 -3.1339 -3.1339 2.5391 2.5391 4.3125 4.3125 14.8587 14.8587 17.1608 17.1608 19.9058 19.9058 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4443-0.2633 ( 770 PWs) bands (ev): -24.6812 -24.6812 -10.3248 -10.3248 -5.6353 -5.6353 -4.1426 -4.1426 -2.9409 -2.9409 2.6360 2.6360 4.5961 4.5961 14.5552 14.5552 17.0698 17.0698 19.8129 19.8129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4443-0.1054 ( 768 PWs) bands (ev): -24.6913 -24.6913 -10.1944 -10.1944 -5.6844 -5.6844 -4.1146 -4.1146 -3.0472 -3.0472 2.7394 2.7394 4.5265 4.5265 14.8468 14.8468 16.8403 16.8403 20.1181 20.1216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4443 0.0525 ( 763 PWs) bands (ev): -24.6544 -24.6544 -9.9899 -9.9899 -5.7218 -5.7218 -4.0641 -4.0641 -3.4036 -3.4036 2.9280 2.9280 4.2037 4.2037 15.1987 15.1987 16.6285 16.6285 19.5752 19.5752 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4443 0.2104 ( 763 PWs) bands (ev): -24.5808 -24.5808 -9.7756 -9.7756 -5.7695 -5.7695 -4.0935 -4.0935 -3.7323 -3.7323 3.1405 3.1405 3.7486 3.7486 15.5143 15.5143 16.3275 16.3275 18.8091 18.8091 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0331 0.0331 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4443 0.3683 ( 774 PWs) bands (ev): -24.4930 -24.4930 -9.6231 -9.6231 -5.8321 -5.8321 -4.2348 -4.2348 -3.8620 -3.8620 3.2096 3.2096 3.3839 3.3839 15.7227 15.7227 16.1160 16.1160 18.2044 18.2044 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4443 0.5262 ( 772 PWs) bands (ev): -24.4196 -24.4196 -9.5835 -9.5835 -5.8458 -5.8458 -4.2651 -4.2651 -4.0074 -4.0074 2.9503 2.9503 3.3568 3.3568 15.6354 15.6354 16.3806 16.3806 17.9531 17.9531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4443-1.0528 ( 771 PWs) bands (ev): -24.3853 -24.3853 -9.6677 -9.6677 -5.6954 -5.6954 -4.3600 -4.3600 -4.0807 -4.0807 2.8757 2.8757 3.2417 3.2417 15.4204 15.4204 17.0158 17.0158 18.0821 18.0821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4443-0.8949 ( 763 PWs) bands (ev): -24.4016 -24.4016 -9.8464 -9.8464 -5.3545 -5.3545 -4.6245 -4.6245 -3.9952 -3.9952 3.0305 3.0305 3.0797 3.0797 15.1233 15.1233 17.8110 17.8110 18.4974 18.4974 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4443-0.7370 ( 767 PWs) bands (ev): -24.4623 -24.4623 -10.0616 -10.0616 -5.1926 -5.1926 -4.5506 -4.5506 -3.9078 -3.9078 2.8540 2.8540 3.4576 3.4576 14.7822 14.7822 18.4201 18.4201 18.9226 18.9226 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4443-0.5791 ( 767 PWs) bands (ev): -24.5465 -24.5465 -10.2459 -10.2459 -5.3827 -5.3827 -4.1982 -4.1982 -3.6582 -3.6582 2.7080 2.7080 3.9476 3.9476 14.5122 14.5122 18.2529 18.2529 19.3271 19.3271 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4443-0.4212 ( 764 PWs) bands (ev): -24.6276 -24.6276 -10.3433 -10.3433 -5.5433 -5.5433 -4.1413 -4.1413 -3.1909 -3.1909 2.6302 2.6302 4.3774 4.3774 14.4257 14.4257 17.5744 17.5744 19.6734 19.6734 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2891-0.2340 ( 770 PWs) bands (ev): -24.8021 -24.8021 -10.6374 -10.6374 -5.1614 -5.1614 -3.9584 -3.9584 -2.8960 -2.8960 3.2561 3.2561 4.6474 4.6474 13.9599 13.9599 16.4634 16.4634 19.1341 19.1341 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2891-0.0761 ( 762 PWs) bands (ev): -24.8165 -24.8165 -10.4878 -10.4878 -5.3044 -5.3044 -3.8711 -3.8711 -2.9690 -2.9690 3.3771 3.3771 4.5551 4.5551 14.1292 14.1292 16.4266 16.4266 19.0077 19.0077 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2891 0.0818 ( 763 PWs) bands (ev): -24.7741 -24.7741 -10.2423 -10.2423 -5.4761 -5.4761 -3.7740 -3.7740 -3.3156 -3.3156 3.5278 3.5278 4.1895 4.1895 14.4430 14.4430 16.5197 16.5197 19.1084 19.1084 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2891 0.2397 ( 765 PWs) bands (ev): -24.6868 -24.6868 -9.9746 -9.9746 -5.6407 -5.6407 -3.8566 -3.8566 -3.6126 -3.6126 3.6319 3.6319 3.7030 3.7030 14.8991 14.8991 16.4967 16.4967 19.1434 19.1434 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9945 0.9945 0.4929 0.4929 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2891 0.3976 ( 763 PWs) bands (ev): -24.5808 -24.5808 -9.7756 -9.7756 -5.7695 -5.7695 -4.0935 -4.0935 -3.7323 -3.7323 3.1405 3.1405 3.7486 3.7486 15.5143 15.5143 16.3275 16.3275 18.8091 18.8091 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0331 0.0331 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2891 0.5555 ( 765 PWs) bands (ev): -24.4905 -24.4905 -9.7178 -9.7178 -5.8024 -5.8024 -4.1460 -4.1460 -3.9407 -3.9407 2.7668 2.7668 3.7368 3.7368 15.9239 15.9239 16.4213 16.4213 18.4367 18.4367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0754 0.0754 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2891-1.0235 ( 767 PWs) bands (ev): -24.4463 -24.4463 -9.8192 -9.8192 -5.6427 -5.6427 -4.2331 -4.2331 -4.0515 -4.0515 2.6470 2.6470 3.6577 3.6577 15.5301 15.5301 17.3299 17.3299 18.3020 18.3020 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9646 0.9646 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2891-0.8656 ( 764 PWs) bands (ev): -24.4634 -24.4634 -10.0395 -10.0395 -5.2431 -5.2431 -4.5169 -4.5169 -3.9441 -3.9441 2.7905 2.7905 3.5815 3.5815 15.0237 15.0237 18.0788 18.0788 18.5235 18.5235 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2891-0.7077 ( 761 PWs) bands (ev): -24.5350 -24.5350 -10.3035 -10.3035 -4.8595 -4.8595 -4.5260 -4.5260 -3.8796 -3.8796 3.0324 3.0324 3.6606 3.6606 14.5215 14.5215 18.1438 18.1438 19.0900 19.0900 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9565 0.9565 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2891-0.5498 ( 769 PWs) bands (ev): -24.6367 -24.6367 -10.5293 -10.5293 -4.9694 -4.9694 -4.0171 -4.0171 -3.7330 -3.7330 3.1341 3.1341 4.0285 4.0285 14.1378 14.1378 17.6351 17.6351 19.6053 19.6053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2891-0.3919 ( 772 PWs) bands (ev): -24.7357 -24.7357 -10.6520 -10.6520 -5.0635 -5.0635 -3.9780 -3.9780 -3.1988 -3.1988 3.1805 3.1805 4.4382 4.4382 13.9507 13.9507 16.9033 16.9033 19.4981 19.4982 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1339-0.2047 ( 766 PWs) bands (ev): -24.9233 -24.9233 -11.0398 -11.0398 -4.6649 -4.6649 -3.5801 -3.5801 -2.8311 -2.8311 3.9530 3.9530 4.7249 4.7249 13.2317 13.2317 15.3624 15.3624 18.6291 18.6291 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1339-0.0468 ( 761 PWs) bands (ev): -24.9316 -24.9316 -10.8639 -10.8639 -4.9125 -4.9125 -3.4415 -3.4415 -2.9246 -2.9246 4.0533 4.0533 4.5805 4.5805 13.3485 13.3485 15.6352 15.6352 18.4538 18.4538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1339 0.1111 ( 772 PWs) bands (ev): -24.8768 -24.8768 -10.5707 -10.5707 -5.1961 -5.1961 -3.3567 -3.3567 -3.2945 -3.2945 4.1173 4.1173 4.1562 4.1562 13.7707 13.7707 16.1485 16.1485 18.5948 18.5948 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1339 0.2690 ( 763 PWs) bands (ev): -24.7741 -24.7741 -10.2423 -10.2423 -5.4761 -5.4761 -3.7740 -3.7740 -3.3156 -3.3156 3.5278 3.5278 4.1895 4.1895 14.4430 14.4430 16.5197 16.5197 19.1084 19.1084 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1339 0.4269 ( 763 PWs) bands (ev): -24.6544 -24.6544 -9.9899 -9.9899 -5.7218 -5.7218 -4.0641 -4.0641 -3.4036 -3.4036 2.9280 2.9280 4.2037 4.2037 15.1987 15.1987 16.6285 16.6285 19.5752 19.5752 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1339 0.5848 ( 770 PWs) bands (ev): -24.5565 -24.5565 -9.9125 -9.9125 -5.8536 -5.8536 -4.1111 -4.1111 -3.5674 -3.5674 2.5133 2.5133 4.1815 4.1815 15.6086 15.6086 16.8491 16.8491 19.0411 19.0411 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1339-0.9942 ( 767 PWs) bands (ev): -24.5140 -24.5140 -10.0394 -10.0394 -5.7635 -5.7635 -4.0096 -4.0096 -3.7430 -3.7430 2.4092 2.4092 4.1404 4.1404 15.3095 15.3095 17.5748 17.5748 18.4555 18.4555 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1339-0.8363 ( 768 PWs) bands (ev): -24.5416 -24.5416 -10.3152 -10.3152 -5.4145 -5.4145 -3.9600 -3.9600 -3.7916 -3.7916 2.6374 2.6374 4.1106 4.1106 14.7242 14.7242 17.9627 17.9627 18.4375 18.4375 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1339-0.6784 ( 768 PWs) bands (ev): -24.6289 -24.6289 -10.6389 -10.6389 -4.9106 -4.9106 -3.9344 -3.9344 -3.7274 -3.7274 3.0933 3.0933 4.1340 4.1340 14.1161 14.1161 17.3282 17.3282 19.2407 19.2407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1339-0.5205 ( 768 PWs) bands (ev): -24.7458 -24.7458 -10.9103 -10.9103 -4.5657 -4.5657 -3.7145 -3.7145 -3.6057 -3.6057 3.5556 3.5556 4.2804 4.2804 13.6347 13.6347 16.4497 16.4497 19.6191 19.6191 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1339-0.3626 ( 771 PWs) bands (ev): -24.8548 -24.8548 -11.0560 -11.0560 -4.5224 -4.5224 -3.6789 -3.6789 -3.1141 -3.1141 3.8179 3.8179 4.5619 4.5619 13.3443 13.3443 15.6540 15.6540 19.0439 19.0439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0212-0.1755 ( 767 PWs) bands (ev): -25.0074 -25.0074 -11.3968 -11.3968 -4.2613 -4.2613 -3.2200 -3.2200 -2.7234 -2.7234 4.5017 4.5017 4.8191 4.8191 12.5939 12.5939 14.2805 14.2805 18.4211 18.4211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0212-0.0176 ( 766 PWs) bands (ev): -25.0018 -25.0018 -11.1967 -11.1967 -4.5580 -4.5580 -3.1634 -3.1634 -2.8187 -2.8187 4.5004 4.5004 4.6548 4.6548 12.7722 12.7722 14.7952 14.7952 18.2970 18.2970 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0212 0.1403 ( 761 PWs) bands (ev): -24.9316 -24.9316 -10.8639 -10.8639 -4.9125 -4.9125 -3.4415 -3.4415 -2.9246 -2.9246 4.0533 4.0533 4.5805 4.5805 13.3485 13.3485 15.6352 15.6352 18.4538 18.4539 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0212 0.2982 ( 762 PWs) bands (ev): -24.8165 -24.8165 -10.4878 -10.4878 -5.3044 -5.3044 -3.8711 -3.8711 -2.9690 -2.9690 3.3771 3.3771 4.5551 4.5551 14.1292 14.1292 16.4266 16.4266 19.0077 19.0077 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0212 0.4561 ( 768 PWs) bands (ev): -24.6913 -24.6913 -10.1944 -10.1944 -5.6844 -5.6844 -4.1146 -4.1146 -3.0472 -3.0472 2.7394 2.7394 4.5265 4.5265 14.8468 14.8468 16.8403 16.8403 20.1170 20.1191 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0212 0.6140 ( 772 PWs) bands (ev): -24.5973 -24.5973 -10.1045 -10.1045 -5.9134 -5.9134 -4.1109 -4.1109 -3.1483 -3.1483 2.3335 2.3335 4.5038 4.5038 15.1917 15.1917 17.0898 17.0898 19.2309 19.2309 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0212-0.9650 ( 771 PWs) bands (ev): -24.5672 -24.5672 -10.2570 -10.2570 -5.8606 -5.8606 -3.9524 -3.9524 -3.2400 -3.2400 2.2857 2.2857 4.4967 4.4967 14.9529 14.9529 17.5886 17.5886 18.4296 18.4296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0212-0.8071 ( 771 PWs) bands (ev): -24.6115 -24.6115 -10.5818 -10.5818 -5.4935 -5.4935 -3.7694 -3.7694 -3.2875 -3.2875 2.6097 2.6097 4.5113 4.5113 14.3590 14.3590 17.4000 17.4000 18.5235 18.5235 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0212-0.6492 ( 767 PWs) bands (ev): -24.7137 -24.7137 -10.9542 -10.9542 -4.8944 -4.8944 -3.6483 -3.6483 -3.2614 -3.2614 3.1968 3.1968 4.5506 4.5506 13.6957 13.6957 16.3392 16.3392 19.4711 19.4711 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0212-0.4913 ( 772 PWs) bands (ev): -24.8389 -24.8389 -11.2594 -11.2594 -4.2922 -4.2922 -3.5755 -3.5755 -3.1376 -3.1376 3.8521 3.8521 4.6181 4.6181 13.1441 13.1441 15.2058 15.2058 19.2996 19.2996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0212-0.3334 ( 767 PWs) bands (ev): -24.9474 -24.9474 -11.4190 -11.4190 -4.0935 -4.0935 -3.4008 -3.4008 -2.8997 -2.8997 4.3282 4.3282 4.7345 4.7345 12.7715 12.7715 14.3985 14.3985 18.7805 18.7805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1764-0.1462 ( 768 PWs) bands (ev): -25.0306 -25.0306 -11.6145 -11.6145 -3.9626 -3.9626 -3.1176 -3.1176 -2.6381 -2.6381 4.7164 4.7164 4.8985 4.8985 12.3024 12.3024 13.5965 13.5965 18.4393 18.4393 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1764 0.0117 ( 767 PWs) bands (ev): -25.0074 -25.0074 -11.3968 -11.3968 -4.2613 -4.2613 -3.2200 -3.2200 -2.7234 -2.7234 4.5017 4.5017 4.8191 4.8191 12.5939 12.5939 14.2805 14.2805 18.4211 18.4211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1764 0.1696 ( 766 PWs) bands (ev): -24.9233 -24.9233 -11.0398 -11.0398 -4.6649 -4.6649 -3.5801 -3.5801 -2.8311 -2.8311 3.9530 3.9530 4.7249 4.7249 13.2317 13.2317 15.3624 15.3624 18.6291 18.6291 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1764 0.3275 ( 770 PWs) bands (ev): -24.8021 -24.8021 -10.6374 -10.6374 -5.1614 -5.1614 -3.9584 -3.9584 -2.8960 -2.8960 3.2561 3.2561 4.6474 4.6474 13.9599 13.9599 16.4634 16.4634 19.1341 19.1341 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1764 0.4854 ( 770 PWs) bands (ev): -24.6812 -24.6812 -10.3248 -10.3248 -5.6353 -5.6353 -4.1426 -4.1426 -2.9409 -2.9409 2.6360 2.6360 4.5961 4.5961 14.5552 14.5552 17.0698 17.0698 19.8129 19.8129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1764 0.6433 ( 767 PWs) bands (ev): -24.6011 -24.6011 -10.2337 -10.2337 -5.8982 -5.8982 -4.1105 -4.1105 -2.9672 -2.9672 2.2801 2.2801 4.5826 4.5826 14.8214 14.8214 17.3091 17.3091 19.2501 19.2501 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1764-0.9357 ( 771 PWs) bands (ev): -24.5901 -24.5901 -10.4066 -10.4066 -5.8317 -5.8317 -3.9308 -3.9308 -2.9711 -2.9711 2.2996 2.2996 4.6092 4.6092 14.6097 14.6097 17.6660 17.6660 18.4748 18.4748 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1764-0.7778 ( 769 PWs) bands (ev): -24.6519 -24.6519 -10.7621 -10.7621 -5.4239 -5.4239 -3.7161 -3.7161 -2.9511 -2.9511 2.6931 2.6931 4.6673 4.6673 14.0428 14.0428 17.0009 17.0009 18.7491 18.7491 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1764-0.6199 ( 772 PWs) bands (ev): -24.7640 -24.7640 -11.1614 -11.1614 -4.7688 -4.7688 -3.5539 -3.5539 -2.9085 -2.9085 3.3439 3.3439 4.7387 4.7387 13.3754 13.3754 15.6175 15.6175 19.5704 19.5705 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1764-0.4620 ( 765 PWs) bands (ev): -24.8884 -24.8884 -11.4822 -11.4822 -4.0864 -4.0864 -3.4534 -3.4534 -2.8401 -2.8401 4.0573 4.0573 4.8020 4.8020 12.8064 12.8064 14.3461 14.3461 19.0859 19.0859 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1764-0.3041 ( 763 PWs) bands (ev): -24.9867 -24.9867 -11.6450 -11.6450 -3.8157 -3.8157 -3.2547 -3.2547 -2.7275 -2.7275 4.5924 4.5924 4.8482 4.8482 12.4286 12.4286 13.5776 13.5776 18.6792 18.6792 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3316-0.1170 ( 763 PWs) bands (ev): -24.9867 -24.9867 -11.6450 -11.6450 -3.8157 -3.8157 -3.2547 -3.2547 -2.7275 -2.7275 4.5924 4.5924 4.8482 4.8482 12.4286 12.4286 13.5776 13.5776 18.6792 18.6792 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3316 0.0409 ( 767 PWs) bands (ev): -24.9474 -24.9474 -11.4190 -11.4190 -4.0935 -4.0935 -3.4008 -3.4008 -2.8997 -2.8997 4.3282 4.3282 4.7345 4.7345 12.7715 12.7715 14.3985 14.3985 18.7805 18.7805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3316 0.1988 ( 771 PWs) bands (ev): -24.8548 -24.8548 -11.0560 -11.0560 -4.5224 -4.5224 -3.6789 -3.6789 -3.1141 -3.1141 3.8179 3.8179 4.5619 4.5619 13.3443 13.3443 15.6540 15.6540 19.0439 19.0439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3316 0.3567 ( 772 PWs) bands (ev): -24.7357 -24.7357 -10.6520 -10.6520 -5.0635 -5.0635 -3.9780 -3.9780 -3.1988 -3.1988 3.1805 3.1805 4.4382 4.4382 13.9507 13.9507 16.9033 16.9033 19.4981 19.4981 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3316 0.5146 ( 764 PWs) bands (ev): -24.6276 -24.6276 -10.3433 -10.3433 -5.5433 -5.5433 -4.1413 -4.1413 -3.1909 -3.1909 2.6302 2.6302 4.3774 4.3774 14.4257 14.4257 17.5744 17.5744 19.6734 19.6734 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3316 0.6725 ( 767 PWs) bands (ev): -24.5674 -24.5674 -10.2616 -10.2616 -5.7789 -5.7789 -4.1258 -4.1258 -3.1266 -3.1266 2.3420 2.3420 4.3850 4.3850 14.6157 14.6157 17.8309 17.8309 19.2302 19.2302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3316-0.9065 ( 762 PWs) bands (ev): -24.5765 -24.5765 -10.4454 -10.4454 -5.6780 -5.6780 -3.9644 -3.9644 -3.0357 -3.0357 2.4099 2.4099 4.4530 4.4530 14.4083 14.4083 18.2194 18.2194 18.4008 18.4008 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3316-0.7486 ( 763 PWs) bands (ev): -24.6515 -24.6515 -10.8086 -10.8086 -5.2480 -5.2480 -3.7483 -3.7483 -2.9490 -2.9490 2.8205 2.8205 4.5573 4.5573 13.8817 13.8817 16.8584 16.8584 19.1869 19.1869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3316-0.5907 ( 764 PWs) bands (ev): -24.7654 -24.7654 -11.2101 -11.2101 -4.5961 -4.5961 -3.5601 -3.5601 -2.8901 -2.8901 3.4583 3.4583 4.6608 4.6608 13.2519 13.2519 15.3335 15.3335 19.3693 19.3693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3316-0.4328 ( 758 PWs) bands (ev): -24.8806 -24.8806 -11.5278 -11.5278 -3.9544 -3.9544 -3.4154 -3.4154 -2.8574 -2.8574 4.1388 4.1388 4.7247 4.7247 12.7238 12.7238 14.1059 14.1059 19.0277 19.0277 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3316-0.2749 ( 756 PWs) bands (ev): -24.9622 -24.9622 -11.6839 -11.6839 -3.7080 -3.7080 -3.2525 -3.2525 -2.7847 -2.7847 4.6305 4.6305 4.7358 4.7358 12.4285 12.4285 13.4538 13.4538 18.7705 18.7705 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2201-0.4095 ( 765 PWs) bands (ev): -24.8884 -24.8884 -11.4822 -11.4822 -4.0864 -4.0864 -3.4534 -3.4534 -2.8401 -2.8401 4.0573 4.0573 4.8020 4.8020 12.8064 12.8064 14.3461 14.3461 19.0859 19.0860 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2201-0.2516 ( 772 PWs) bands (ev): -24.8389 -24.8389 -11.2594 -11.2594 -4.2922 -4.2922 -3.5755 -3.5755 -3.1376 -3.1376 3.8521 3.8521 4.6181 4.6181 13.1441 13.1441 15.2058 15.2058 19.2996 19.2996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2201-0.0937 ( 768 PWs) bands (ev): -24.7458 -24.7458 -10.9103 -10.9103 -4.5657 -4.5657 -3.7145 -3.7145 -3.6057 -3.6057 3.5556 3.5556 4.2804 4.2804 13.6347 13.6347 16.4497 16.4497 19.6191 19.6193 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2201 0.0642 ( 769 PWs) bands (ev): -24.6367 -24.6367 -10.5293 -10.5293 -4.9694 -4.9694 -4.0171 -4.0171 -3.7330 -3.7330 3.1341 3.1341 4.0285 4.0285 14.1378 14.1378 17.6351 17.6351 19.6053 19.6053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2201 0.2221 ( 767 PWs) bands (ev): -24.5465 -24.5465 -10.2459 -10.2459 -5.3827 -5.3827 -4.1982 -4.1982 -3.6582 -3.6582 2.7080 2.7080 3.9476 3.9476 14.5122 14.5122 18.2529 18.2529 19.3271 19.3271 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2201 0.3800 ( 767 PWs) bands (ev): -24.5062 -24.5062 -10.1797 -10.1797 -5.5875 -5.5875 -4.2029 -4.2029 -3.4962 -3.4962 2.4747 2.4747 3.9944 3.9944 14.6229 14.6229 18.4337 18.4337 18.9979 18.9979 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2201-1.1990 ( 765 PWs) bands (ev): -24.5303 -24.5303 -10.3617 -10.3617 -5.4847 -5.4847 -4.0656 -4.0656 -3.3127 -3.3127 2.5371 2.5371 4.1241 4.1241 14.3974 14.3974 18.0052 18.0052 18.9353 18.9353 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2201-1.0411 ( 765 PWs) bands (ev): -24.6100 -24.6100 -10.7090 -10.7090 -5.0903 -5.0903 -3.8630 -3.8630 -3.1657 -3.1657 2.8857 2.8857 4.2877 4.2877 13.9163 13.9163 16.7207 16.7207 19.3197 19.3197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2201-0.8832 ( 764 PWs) bands (ev): -24.7175 -24.7175 -11.0890 -11.0890 -4.5254 -4.5254 -3.6745 -3.6745 -3.0776 -3.0776 3.4138 3.4138 4.4355 4.4355 13.3653 13.3653 15.4417 15.4417 19.2820 19.2820 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2201-0.7253 ( 752 PWs) bands (ev): -24.8177 -24.8177 -11.3865 -11.3865 -4.0524 -4.0524 -3.5202 -3.5202 -3.0016 -3.0016 3.9244 3.9244 4.5569 4.5569 12.9259 12.9259 14.5109 14.5109 19.1173 19.1173 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2201-0.5674 ( 758 PWs) bands (ev): -24.8806 -24.8806 -11.5278 -11.5278 -3.9544 -3.9544 -3.4154 -3.4154 -2.8574 -2.8574 4.1388 4.1388 4.7247 4.7247 12.7238 12.7238 14.1059 14.1059 19.0277 19.0277 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0650-0.3803 ( 772 PWs) bands (ev): -24.7640 -24.7640 -11.1614 -11.1614 -4.7688 -4.7688 -3.5539 -3.5539 -2.9085 -2.9085 3.3439 3.3439 4.7387 4.7387 13.3754 13.3754 15.6175 15.6175 19.5704 19.5706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0650-0.2224 ( 767 PWs) bands (ev): -24.7137 -24.7137 -10.9542 -10.9542 -4.8944 -4.8944 -3.6483 -3.6483 -3.2614 -3.2614 3.1968 3.1968 4.5506 4.5506 13.6957 13.6957 16.3392 16.3392 19.4711 19.4711 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0650-0.0645 ( 768 PWs) bands (ev): -24.6289 -24.6289 -10.6389 -10.6389 -4.9106 -4.9106 -3.9344 -3.9344 -3.7274 -3.7274 3.0933 3.0933 4.1340 4.1340 14.1161 14.1161 17.3282 17.3282 19.2407 19.2407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0650 0.0934 ( 761 PWs) bands (ev): -24.5350 -24.5350 -10.3035 -10.3035 -4.8595 -4.8595 -4.5260 -4.5260 -3.8796 -3.8796 3.0324 3.0324 3.6606 3.6606 14.5215 14.5215 18.1438 18.1438 19.0900 19.0900 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9565 0.9565 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0650 0.2513 ( 767 PWs) bands (ev): -24.4623 -24.4623 -10.0616 -10.0616 -5.1926 -5.1926 -4.5506 -4.5506 -3.9078 -3.9078 2.8540 2.8540 3.4576 3.4576 14.7822 14.7822 18.4201 18.4201 18.9226 18.9226 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0650 0.4092 ( 765 PWs) bands (ev): -24.4356 -24.4356 -10.0122 -10.0122 -5.4628 -5.4628 -4.3671 -4.3671 -3.7828 -3.7828 2.6233 2.6233 3.5779 3.5779 14.7750 14.7750 18.1515 18.1515 18.8472 18.8472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0650-1.1698 ( 763 PWs) bands (ev): -24.4647 -24.4647 -10.1780 -10.1780 -5.4359 -5.4359 -4.1684 -4.1684 -3.5784 -3.5784 2.5964 2.5964 3.7983 3.7983 14.4918 14.4918 17.4747 17.4747 18.9658 18.9658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0009 0.0009 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0650-1.0119 ( 759 PWs) bands (ev): -24.5393 -24.5393 -10.4875 -10.4875 -5.1468 -5.1468 -3.9707 -3.9707 -3.4008 -3.4008 2.8033 2.8033 4.0254 4.0254 14.0746 14.0746 16.6235 16.6235 19.1452 19.1452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0650-0.8540 ( 760 PWs) bands (ev): -24.6338 -24.6338 -10.8256 -10.8256 -4.7488 -4.7488 -3.8147 -3.8147 -3.2575 -3.2575 3.1432 3.1432 4.2251 4.2251 13.6683 13.6683 15.8872 15.8872 19.2406 19.2406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0650-0.6961 ( 764 PWs) bands (ev): -24.7175 -24.7175 -11.0890 -11.0890 -4.5254 -4.5254 -3.6745 -3.6745 -3.0776 -3.0776 3.4138 3.4138 4.4355 4.4355 13.3653 13.3653 15.4417 15.4417 19.2820 19.2820 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0650-0.5382 ( 764 PWs) bands (ev): -24.7654 -24.7654 -11.2101 -11.2101 -4.5961 -4.5961 -3.5601 -3.5601 -2.8901 -2.8901 3.4583 3.4583 4.6608 4.6608 13.2519 13.2519 15.3335 15.3335 19.3693 19.3693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9098-0.3510 ( 769 PWs) bands (ev): -24.6519 -24.6519 -10.7621 -10.7621 -5.4239 -5.4239 -3.7161 -3.7161 -2.9511 -2.9511 2.6931 2.6931 4.6673 4.6673 14.0428 14.0428 17.0009 17.0009 18.7491 18.7491 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9098-0.1931 ( 771 PWs) bands (ev): -24.6115 -24.6115 -10.5818 -10.5818 -5.4935 -5.4935 -3.7694 -3.7694 -3.2875 -3.2875 2.6097 2.6097 4.5113 4.5113 14.3590 14.3590 17.4000 17.4000 18.5235 18.5235 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9098-0.0352 ( 768 PWs) bands (ev): -24.5416 -24.5416 -10.3152 -10.3152 -5.4145 -5.4145 -3.9600 -3.9600 -3.7916 -3.7916 2.6374 2.6374 4.1106 4.1106 14.7242 14.7242 17.9627 17.9627 18.4375 18.4375 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9098 0.1227 ( 764 PWs) bands (ev): -24.4634 -24.4634 -10.0395 -10.0395 -5.2431 -5.2431 -4.5169 -4.5169 -3.9441 -3.9441 2.7905 2.7905 3.5815 3.5815 15.0237 15.0237 18.0788 18.0788 18.5235 18.5235 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9098 0.2806 ( 763 PWs) bands (ev): -24.4016 -24.4016 -9.8464 -9.8464 -5.3545 -5.3545 -4.6245 -4.6245 -3.9952 -3.9952 3.0305 3.0305 3.0797 3.0797 15.1233 15.1233 17.8110 17.8110 18.4974 18.4974 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9098 0.4385 ( 765 PWs) bands (ev): -24.3776 -24.3776 -9.8103 -9.8103 -5.6083 -5.6083 -4.3575 -4.3575 -3.9363 -3.9363 2.7079 2.7079 3.3286 3.3286 14.9142 14.9142 17.4627 17.4627 18.5131 18.5131 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9098-1.1405 ( 766 PWs) bands (ev): -24.3999 -24.3999 -9.9477 -9.9477 -5.6240 -5.6240 -4.1475 -4.1475 -3.7706 -3.7706 2.5677 2.5677 3.5982 3.5982 14.5485 14.5485 17.1274 17.1274 18.6634 18.6634 occupation numbers 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.3636-0.9098-0.9826 ( 762 PWs) bands (ev): -24.4608 -24.4608 -10.2043 -10.2043 -5.4122 -5.4122 -4.0312 -4.0312 -3.5889 -3.5889 2.6379 2.6379 3.8193 3.8193 14.2675 14.2675 16.7810 16.7810 18.9074 18.9074 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9098-0.8247 ( 759 PWs) bands (ev): -24.5393 -24.5393 -10.4875 -10.4875 -5.1468 -5.1468 -3.9707 -3.9707 -3.4008 -3.4008 2.8033 2.8033 4.0254 4.0254 14.0746 14.0746 16.6235 16.6235 19.1452 19.1452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9098-0.6668 ( 765 PWs) bands (ev): -24.6100 -24.6100 -10.7090 -10.7090 -5.0903 -5.0903 -3.8630 -3.8630 -3.1657 -3.1657 2.8857 2.8857 4.2877 4.2877 13.9163 13.9163 16.7207 16.7207 19.3197 19.3197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9098-0.5089 ( 763 PWs) bands (ev): -24.6515 -24.6515 -10.8086 -10.8086 -5.2480 -5.2480 -3.7483 -3.7483 -2.9490 -2.9490 2.8205 2.8205 4.5573 4.5573 13.8817 13.8817 16.8584 16.8584 19.1869 19.1869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7546-0.3218 ( 771 PWs) bands (ev): -24.5901 -24.5901 -10.4066 -10.4066 -5.8317 -5.8317 -3.9308 -3.9308 -2.9711 -2.9711 2.2996 2.2996 4.6092 4.6092 14.6097 14.6097 17.6660 17.6660 18.4748 18.4748 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7546-0.1639 ( 771 PWs) bands (ev): -24.5672 -24.5672 -10.2570 -10.2570 -5.8606 -5.8606 -3.9524 -3.9524 -3.2400 -3.2400 2.2857 2.2857 4.4967 4.4967 14.9529 14.9529 17.5886 17.5886 18.4296 18.4296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7546-0.0060 ( 767 PWs) bands (ev): -24.5140 -24.5140 -10.0394 -10.0394 -5.7635 -5.7635 -4.0096 -4.0096 -3.7430 -3.7430 2.4092 2.4092 4.1404 4.1404 15.3095 15.3095 17.5748 17.5748 18.4555 18.4555 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7546 0.1519 ( 767 PWs) bands (ev): -24.4463 -24.4463 -9.8192 -9.8192 -5.6427 -5.6427 -4.2331 -4.2331 -4.0515 -4.0515 2.6470 2.6470 3.6577 3.6577 15.5301 15.5301 17.3299 17.3299 18.3020 18.3020 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9646 0.9646 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7546 0.3098 ( 771 PWs) bands (ev): -24.3853 -24.3853 -9.6677 -9.6677 -5.6954 -5.6954 -4.3600 -4.3600 -4.0807 -4.0807 2.8757 2.8757 3.2417 3.2417 15.4204 15.4204 17.0158 17.0158 18.0821 18.0821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7546 0.4677 ( 766 PWs) bands (ev): -24.3516 -24.3516 -9.6386 -9.6386 -5.8351 -5.8351 -4.2027 -4.2027 -4.0626 -4.0626 2.7243 2.7243 3.2986 3.2986 14.9810 14.9810 16.9482 16.9482 18.0994 18.0994 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7546-1.1113 ( 765 PWs) bands (ev): -24.3572 -24.3572 -9.7444 -9.7444 -5.8191 -5.8191 -4.1098 -4.1098 -3.9442 -3.9442 2.5709 2.5709 3.4660 3.4660 14.6443 14.6443 17.0123 17.0123 18.3243 18.3243 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7546-0.9534 ( 766 PWs) bands (ev): -24.3999 -24.3999 -9.9477 -9.9477 -5.6240 -5.6240 -4.1475 -4.1475 -3.7706 -3.7706 2.5677 2.5677 3.5982 3.5982 14.5485 14.5485 17.1274 17.1274 18.6634 18.6634 occupation numbers 1.0000 1.0000 1.0000 1.0000 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 0.0000 0.0000 k = 0.3636-0.7546-0.7955 ( 763 PWs) bands (ev): -24.4647 -24.4647 -10.1780 -10.1780 -5.4359 -5.4359 -4.1684 -4.1684 -3.5784 -3.5784 2.5964 2.5964 3.7983 3.7983 14.4918 14.4918 17.4747 17.4747 18.9658 18.9658 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0009 0.0009 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7546-0.6376 ( 765 PWs) bands (ev): -24.5303 -24.5303 -10.3617 -10.3617 -5.4847 -5.4847 -4.0656 -4.0656 -3.3127 -3.3127 2.5371 2.5371 4.1241 4.1241 14.3974 14.3974 18.0052 18.0052 18.9353 18.9353 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7546-0.4797 ( 762 PWs) bands (ev): -24.5765 -24.5765 -10.4454 -10.4454 -5.6780 -5.6780 -3.9644 -3.9644 -3.0357 -3.0357 2.4099 2.4099 4.4530 4.4530 14.4083 14.4083 18.2194 18.2194 18.4008 18.4008 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5994-0.2925 ( 767 PWs) bands (ev): -24.6011 -24.6011 -10.2337 -10.2337 -5.8982 -5.8982 -4.1105 -4.1105 -2.9672 -2.9672 2.2801 2.2801 4.5826 4.5826 14.8214 14.8214 17.3091 17.3091 19.2501 19.2501 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5994-0.1346 ( 772 PWs) bands (ev): -24.5973 -24.5973 -10.1045 -10.1045 -5.9134 -5.9134 -4.1109 -4.1109 -3.1483 -3.1483 2.3335 2.3335 4.5038 4.5038 15.1917 15.1917 17.0898 17.0898 19.2309 19.2309 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5994 0.0233 ( 770 PWs) bands (ev): -24.5565 -24.5565 -9.9125 -9.9125 -5.8536 -5.8536 -4.1111 -4.1111 -3.5674 -3.5674 2.5133 2.5133 4.1815 4.1815 15.6086 15.6086 16.8491 16.8491 19.0411 19.0411 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5994 0.1812 ( 765 PWs) bands (ev): -24.4905 -24.4905 -9.7178 -9.7178 -5.8024 -5.8024 -4.1460 -4.1460 -3.9407 -3.9407 2.7668 2.7668 3.7368 3.7368 15.9239 15.9239 16.4213 16.4213 18.4367 18.4367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0754 0.0754 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5994 0.3391 ( 772 PWs) bands (ev): -24.4196 -24.4196 -9.5835 -9.5835 -5.8458 -5.8458 -4.2651 -4.2651 -4.0074 -4.0074 2.9503 2.9503 3.3568 3.3568 15.6354 15.6354 16.3806 16.3806 17.9531 17.9531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5994 0.4970 ( 777 PWs) bands (ev): -24.3674 -24.3674 -9.5537 -9.5537 -5.9097 -5.9097 -4.2286 -4.2286 -4.0434 -4.0434 2.8366 2.8366 3.2962 3.2962 15.1735 15.1735 16.6242 16.6242 17.8599 17.8599 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5994-1.0820 ( 766 PWs) bands (ev): -24.3516 -24.3516 -9.6386 -9.6386 -5.8351 -5.8351 -4.2027 -4.2027 -4.0626 -4.0626 2.7243 2.7243 3.2986 3.2986 14.9810 14.9810 16.9482 16.9482 18.0994 18.0994 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5994-0.9241 ( 765 PWs) bands (ev): -24.3776 -24.3776 -9.8103 -9.8103 -5.6083 -5.6083 -4.3575 -4.3575 -3.9363 -3.9363 2.7079 2.7079 3.3286 3.3286 14.9142 14.9142 17.4627 17.4627 18.5131 18.5131 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5994-0.7662 ( 765 PWs) bands (ev): -24.4356 -24.4356 -10.0122 -10.0122 -5.4628 -5.4628 -4.3671 -4.3671 -3.7828 -3.7828 2.6233 2.6233 3.5779 3.5779 14.7750 14.7750 18.1515 18.1515 18.8472 18.8472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5994-0.6083 ( 767 PWs) bands (ev): -24.5062 -24.5062 -10.1797 -10.1797 -5.5875 -5.5875 -4.2029 -4.2029 -3.4962 -3.4962 2.4747 2.4747 3.9944 3.9944 14.6229 14.6229 18.4337 18.4337 18.9979 18.9979 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5994-0.4504 ( 767 PWs) bands (ev): -24.5674 -24.5674 -10.2616 -10.2616 -5.7789 -5.7789 -4.1258 -4.1258 -3.1266 -3.1266 2.3420 2.3420 4.3850 4.3850 14.6157 14.6157 17.8309 17.8309 19.2302 19.2302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5554-0.3291 ( 769 PWs) bands (ev): -24.5973 -24.5973 -10.3008 -10.3008 -5.7914 -5.7914 -4.1526 -4.1526 -2.9779 -2.9779 2.3505 2.3505 4.5956 4.5956 14.5018 14.5018 17.6125 17.6125 19.2898 19.2898 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5554-0.1712 ( 769 PWs) bands (ev): -24.5914 -24.5914 -10.2125 -10.2125 -5.7708 -5.7708 -4.1495 -4.1495 -3.1302 -3.1302 2.4103 2.4103 4.4853 4.4853 14.7107 14.7107 17.5966 17.5966 19.3055 19.3055 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5554-0.0133 ( 764 PWs) bands (ev): -24.5507 -24.5507 -10.0239 -10.0239 -5.7248 -5.7248 -4.1256 -4.1256 -3.5382 -3.5382 2.5614 2.5614 4.1497 4.1497 15.0603 15.0603 17.4731 17.4731 19.0873 19.0873 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5554 0.1446 ( 762 PWs) bands (ev): -24.4869 -24.4869 -9.7894 -9.7894 -5.7365 -5.7365 -4.1056 -4.1056 -3.9469 -3.9469 2.7738 2.7738 3.7194 3.7194 15.4034 15.4034 16.9859 16.9859 18.4910 18.4910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2265 0.2265 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5554 0.3025 ( 772 PWs) bands (ev): -24.4196 -24.4196 -9.5835 -9.5835 -5.8458 -5.8458 -4.2651 -4.2651 -4.0074 -4.0074 2.9503 2.9503 3.3568 3.3568 15.6354 15.6354 16.3806 16.3806 17.9531 17.9531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5554 0.4604 ( 778 PWs) bands (ev): -24.3711 -24.3711 -9.4776 -9.4776 -5.9439 -5.9439 -4.3377 -4.3377 -4.0181 -4.0181 2.9370 2.9370 3.2331 3.2331 15.7082 15.7082 16.0797 16.0797 17.6937 17.6937 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5554-1.1186 ( 778 PWs) bands (ev): -24.3583 -24.3583 -9.5100 -9.5100 -5.8920 -5.8920 -4.3400 -4.3400 -4.0743 -4.0743 2.9177 2.9177 3.1763 3.1763 15.6060 15.6060 16.3381 16.3381 17.7550 17.7550 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5554-0.9607 ( 771 PWs) bands (ev): -24.3853 -24.3853 -9.6677 -9.6677 -5.6954 -5.6954 -4.3600 -4.3600 -4.0807 -4.0807 2.8757 2.8757 3.2417 3.2417 15.4204 15.4204 17.0158 17.0158 18.0821 18.0821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5554-0.8028 ( 767 PWs) bands (ev): -24.4423 -24.4423 -9.8944 -9.8944 -5.5642 -5.5642 -4.2621 -4.2621 -3.9881 -3.9881 2.6743 2.6743 3.6008 3.6008 15.1206 15.1206 17.8632 17.8632 18.4817 18.4817 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9994 0.9994 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5554-0.6449 ( 765 PWs) bands (ev): -24.5100 -24.5100 -10.1158 -10.1158 -5.6298 -5.6298 -4.1519 -4.1519 -3.6330 -3.6330 2.4901 2.4901 4.0508 4.0508 14.7753 14.7753 18.3410 18.3410 18.7409 18.7409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5554-0.4870 ( 766 PWs) bands (ev): -24.5673 -24.5673 -10.2653 -10.2653 -5.7403 -5.7403 -4.1436 -4.1436 -3.1837 -3.1837 2.3789 2.3789 4.4296 4.4296 14.5292 14.5292 17.9470 17.9470 19.1202 19.1202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4002-0.2998 ( 768 PWs) bands (ev): -24.6694 -24.6694 -10.5163 -10.5163 -5.4576 -5.4576 -4.0684 -4.0684 -2.9538 -2.9538 2.7097 2.7097 4.6277 4.6277 14.1700 14.1700 17.2630 17.2630 19.5960 19.5960 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4002-0.1419 ( 770 PWs) bands (ev): -24.6778 -24.6778 -10.4281 -10.4281 -5.4291 -5.4291 -4.0799 -4.0799 -3.0322 -3.0322 2.8179 2.8179 4.5289 4.5289 14.3123 14.3123 17.2001 17.2001 19.5130 19.5130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4002 0.0160 ( 766 PWs) bands (ev): -24.6419 -24.6419 -10.2229 -10.2229 -5.4605 -5.4605 -4.0350 -4.0350 -3.3792 -3.3792 2.9690 2.9690 4.1957 4.1957 14.5877 14.5877 17.1581 17.1581 19.1874 19.1874 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4002 0.1739 ( 760 PWs) bands (ev): -24.5717 -24.5717 -9.9573 -9.9573 -5.5886 -5.5886 -4.0045 -4.0045 -3.7491 -3.7491 3.1170 3.1170 3.7635 3.7635 14.8770 14.8770 16.9574 16.9574 18.7285 18.7285 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0113 0.0113 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4002 0.3318 ( 770 PWs) bands (ev): -24.4886 -24.4886 -9.7152 -9.7152 -5.7598 -5.7598 -4.1506 -4.1506 -3.8864 -3.8864 3.1302 3.1302 3.4441 3.4441 15.1841 15.1841 16.6706 16.6706 18.2580 18.2580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4002 0.4897 ( 772 PWs) bands (ev): -24.4196 -24.4196 -9.5835 -9.5835 -5.8458 -5.8458 -4.2651 -4.2651 -4.0074 -4.0074 2.9503 2.9503 3.3568 3.3568 15.6354 15.6354 16.3806 16.3806 17.9531 17.9531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4002-1.0893 ( 770 PWs) bands (ev): -24.3882 -24.3882 -9.6115 -9.6115 -5.7289 -5.7289 -4.4104 -4.4104 -4.0839 -4.0839 2.8934 2.8934 3.2527 3.2527 15.8584 15.8584 16.5479 16.5479 17.9280 17.9280 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4002-0.9314 ( 763 PWs) bands (ev): -24.4049 -24.4049 -9.7851 -9.7851 -5.4054 -5.4054 -4.6485 -4.6485 -4.0226 -4.0226 2.9154 2.9154 3.2434 3.2434 15.4879 15.4879 17.3821 17.3821 18.1879 18.1879 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4002-0.7735 ( 764 PWs) bands (ev): -24.4634 -24.4634 -10.0395 -10.0395 -5.2431 -5.2431 -4.5169 -4.5169 -3.9441 -3.9441 2.7905 2.7905 3.5815 3.5815 15.0237 15.0237 18.0788 18.0788 18.5235 18.5235 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4002-0.6156 ( 766 PWs) bands (ev): -24.5434 -24.5434 -10.2911 -10.2911 -5.3784 -5.3784 -4.0675 -4.0675 -3.7566 -3.7566 2.6872 2.6872 4.0447 4.0447 14.5740 14.5740 18.1799 18.1799 18.7824 18.7824 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4002-0.4577 ( 767 PWs) bands (ev): -24.6197 -24.6197 -10.4659 -10.4659 -5.4608 -5.4608 -4.0299 -4.0299 -3.2433 -3.2433 2.6617 2.6617 4.4435 4.4435 14.2584 14.2584 17.6402 17.6402 19.2148 19.2148 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2450-0.2706 ( 767 PWs) bands (ev): -24.7836 -24.7836 -10.9086 -10.9086 -4.8739 -4.8739 -3.8526 -3.8526 -2.9088 -2.9088 3.3272 3.3272 4.6927 4.6927 13.5934 13.5934 16.1469 16.1469 19.2109 19.2109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2450-0.1127 ( 761 PWs) bands (ev): -24.7959 -24.7959 -10.8090 -10.8090 -4.8956 -4.8956 -3.8369 -3.8369 -2.9584 -2.9584 3.4476 3.4476 4.5853 4.5853 13.6794 13.6794 16.1473 16.1473 18.9164 18.9164 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2450 0.0452 ( 761 PWs) bands (ev): -24.7549 -24.7549 -10.5703 -10.5703 -5.0553 -5.0553 -3.7517 -3.7517 -3.2966 -3.2966 3.5444 3.5444 4.2314 4.2314 13.9493 13.9493 16.4700 16.4700 18.7838 18.7838 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2450 0.2031 ( 767 PWs) bands (ev): -24.6718 -24.6718 -10.2540 -10.2540 -5.3170 -5.3170 -3.7303 -3.7303 -3.6713 -3.6713 3.5003 3.5003 3.8499 3.8499 14.3550 14.3550 16.8172 16.8172 18.7832 18.7832 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2450 0.3610 ( 760 PWs) bands (ev): -24.5717 -24.5717 -9.9573 -9.9573 -5.5886 -5.5886 -4.0045 -4.0045 -3.7491 -3.7491 3.1170 3.1170 3.7635 3.7635 14.8770 14.8770 16.9574 16.9574 18.7285 18.7285 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0113 0.0113 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2450 0.5189 ( 762 PWs) bands (ev): -24.4869 -24.4869 -9.7894 -9.7894 -5.7365 -5.7365 -4.1056 -4.1056 -3.9469 -3.9469 2.7738 2.7738 3.7194 3.7194 15.4034 15.4034 16.9859 16.9859 18.4910 18.4910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2265 0.2265 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2450-1.0601 ( 767 PWs) bands (ev): -24.4463 -24.4463 -9.8192 -9.8192 -5.6427 -5.6427 -4.2331 -4.2331 -4.0515 -4.0515 2.6470 2.6470 3.6577 3.6577 15.5301 15.5301 17.3299 17.3299 18.3020 18.3020 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9646 0.9646 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2450-0.9022 ( 761 PWs) bands (ev): -24.4638 -24.4638 -10.0304 -10.0304 -5.2704 -5.2704 -4.5219 -4.5219 -3.9267 -3.9267 2.7478 2.7478 3.6389 3.6389 15.1719 15.1719 17.8488 17.8488 18.3894 18.3894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9909 0.9909 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2450-0.7443 ( 766 PWs) bands (ev): -24.5326 -24.5326 -10.3382 -10.3382 -4.8426 -4.8426 -4.5652 -4.5652 -3.8142 -3.8142 2.9465 2.9465 3.7812 3.7812 14.6371 14.6371 17.8358 17.8358 18.8299 18.8299 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0031 0.0031 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2450-0.5864 ( 768 PWs) bands (ev): -24.6289 -24.6289 -10.6389 -10.6389 -4.9106 -4.9106 -3.9344 -3.9344 -3.7274 -3.7274 3.0933 3.0933 4.1340 4.1340 14.1161 14.1161 17.3282 17.3282 19.2407 19.2407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2450-0.4285 ( 771 PWs) bands (ev): -24.7219 -24.7219 -10.8467 -10.8467 -4.9162 -4.9162 -3.8160 -3.8160 -3.2394 -3.2394 3.2080 3.2080 4.5093 4.5093 13.7412 13.7412 16.6061 16.6061 19.6093 19.6102 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0899-0.2413 ( 766 PWs) bands (ev): -24.9015 -24.9015 -11.3261 -11.3261 -4.2445 -4.2445 -3.5538 -3.5538 -2.8398 -2.8398 4.0279 4.0279 4.7721 4.7721 12.9469 12.9469 14.7285 14.7285 18.8886 18.8886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0899-0.0834 ( 760 PWs) bands (ev): -24.9069 -24.9069 -11.2099 -11.2099 -4.3775 -4.3775 -3.4676 -3.4676 -2.9113 -2.9113 4.1222 4.1222 4.6323 4.6323 13.0170 13.0170 14.8979 14.8979 18.6604 18.6604 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0899 0.0745 ( 767 PWs) bands (ev): -24.8530 -24.8530 -10.9357 -10.9357 -4.6652 -4.6652 -3.4239 -3.4239 -3.2235 -3.2235 4.0650 4.0650 4.3009 4.3009 13.3744 13.3744 15.5772 15.5772 18.6219 18.6219 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0899 0.2324 ( 761 PWs) bands (ev): -24.7549 -24.7549 -10.5703 -10.5703 -5.0553 -5.0553 -3.7517 -3.7517 -3.2966 -3.2966 3.5444 3.5444 4.2314 4.2314 13.9493 13.9493 16.4700 16.4700 18.7838 18.7838 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0899 0.3903 ( 766 PWs) bands (ev): -24.6419 -24.6419 -10.2229 -10.2229 -5.4605 -5.4605 -4.0350 -4.0350 -3.3792 -3.3792 2.9690 2.9690 4.1957 4.1957 14.5877 14.5877 17.1581 17.1581 19.1874 19.1874 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0899 0.5482 ( 764 PWs) bands (ev): -24.5507 -24.5507 -10.0239 -10.0239 -5.7248 -5.7248 -4.1256 -4.1256 -3.5382 -3.5382 2.5614 2.5614 4.1497 4.1497 15.0603 15.0603 17.4731 17.4731 19.0873 19.0873 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0899-1.0308 ( 768 PWs) bands (ev): -24.5129 -24.5129 -10.0612 -10.0612 -5.7195 -5.7195 -4.0552 -4.0552 -3.7172 -3.7172 2.4412 2.4412 4.1126 4.1126 15.1061 15.1061 17.8386 17.8386 18.5594 18.5594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0899-0.8729 ( 768 PWs) bands (ev): -24.5416 -24.5416 -10.3152 -10.3152 -5.4145 -5.4145 -3.9600 -3.9600 -3.7916 -3.7916 2.6374 2.6374 4.1106 4.1106 14.7242 14.7242 17.9627 17.9627 18.4375 18.4375 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0899-0.7150 ( 758 PWs) bands (ev): -24.6260 -24.6260 -10.6780 -10.6780 -4.9103 -4.9103 -3.9204 -3.9204 -3.6821 -3.6821 3.0654 3.0654 4.1746 4.1746 14.1440 14.1440 17.1673 17.1673 19.1139 19.1139 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0899-0.5571 ( 775 PWs) bands (ev): -24.7369 -24.7369 -11.0248 -11.0248 -4.4864 -4.4864 -3.6299 -3.6299 -3.5967 -3.5967 3.5338 3.5338 4.3481 4.3481 13.5692 13.5692 16.1497 16.1497 19.8324 19.8337 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0899-0.3992 ( 772 PWs) bands (ev): -24.8389 -24.8389 -11.2594 -11.2594 -4.2922 -4.2922 -3.5755 -3.5755 -3.1376 -3.1376 3.8521 3.8521 4.6181 4.6181 13.1441 13.1441 15.2058 15.2058 19.2996 19.2996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0653-0.2121 ( 763 PWs) bands (ev): -24.9867 -24.9867 -11.6450 -11.6450 -3.8157 -3.8157 -3.2547 -3.2547 -2.7275 -2.7275 4.5924 4.5924 4.8482 4.8482 12.4286 12.4286 13.5776 13.5776 18.6792 18.6792 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0653-0.0542 ( 758 PWs) bands (ev): -24.9770 -24.9770 -11.5125 -11.5125 -4.0140 -4.0140 -3.2197 -3.2197 -2.8039 -2.8039 4.6281 4.6281 4.6611 4.6611 12.5451 12.5451 13.9483 13.9483 18.5759 18.5759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0653 0.1037 ( 760 PWs) bands (ev): -24.9069 -24.9069 -11.2099 -11.2099 -4.3775 -4.3775 -3.4676 -3.4676 -2.9113 -2.9113 4.1222 4.1222 4.6323 4.6323 13.0170 13.0170 14.8979 14.8979 18.6604 18.6604 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0653 0.2616 ( 761 PWs) bands (ev): -24.7959 -24.7959 -10.8090 -10.8090 -4.8956 -4.8956 -3.8369 -3.8369 -2.9584 -2.9584 3.4476 3.4476 4.5853 4.5853 13.6794 13.6794 16.1473 16.1473 18.9164 18.9164 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0653 0.4196 ( 770 PWs) bands (ev): -24.6778 -24.6778 -10.4281 -10.4281 -5.4291 -5.4291 -4.0799 -4.0799 -3.0322 -3.0322 2.8179 2.8179 4.5289 4.5289 14.3123 14.3123 17.2001 17.2001 19.5130 19.5130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0653 0.5775 ( 769 PWs) bands (ev): -24.5914 -24.5914 -10.2125 -10.2125 -5.7708 -5.7708 -4.1495 -4.1495 -3.1302 -3.1302 2.4103 2.4103 4.4853 4.4853 14.7107 14.7107 17.5966 17.5966 19.3055 19.3055 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0653-1.0016 ( 771 PWs) bands (ev): -24.5672 -24.5672 -10.2620 -10.2620 -5.7944 -5.7944 -4.0508 -4.0508 -3.2231 -3.2231 2.3417 2.3417 4.4706 4.4706 14.7032 14.7032 17.7956 17.7956 18.7617 18.7617 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0653-0.8437 ( 766 PWs) bands (ev): -24.6137 -24.6137 -10.5514 -10.5514 -5.4754 -5.4754 -3.8520 -3.8520 -3.2770 -3.2770 2.6331 2.6331 4.4928 4.4928 14.3010 14.3010 17.4969 17.4969 18.7133 18.7133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0653-0.6858 ( 767 PWs) bands (ev): -24.7137 -24.7137 -10.9542 -10.9542 -4.8944 -4.8944 -3.6483 -3.6483 -3.2614 -3.2614 3.1968 3.1968 4.5506 4.5506 13.6957 13.6957 16.3392 16.3392 19.4711 19.4711 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0653-0.5279 ( 768 PWs) bands (ev): -24.8329 -24.8329 -11.3311 -11.3311 -4.2476 -4.2476 -3.4950 -3.4950 -3.1459 -3.1459 3.8569 3.8569 4.6388 4.6388 13.0894 13.0894 15.0279 15.0279 19.4111 19.4111 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0653-0.3700 ( 770 PWs) bands (ev): -24.9337 -24.9337 -11.5800 -11.5800 -3.8432 -3.8432 -3.3764 -3.3764 -2.9096 -2.9096 4.3759 4.3759 4.7611 4.7611 12.6387 12.6387 13.9795 13.9795 18.9775 18.9775 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2205-0.1828 ( 752 PWs) bands (ev): -25.0151 -25.0151 -11.7902 -11.7902 -3.6260 -3.6260 -3.1493 -3.1493 -2.6423 -2.6423 4.7979 4.7979 4.9111 4.9111 12.2304 12.2304 13.0297 13.0297 18.6333 18.6333 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2205-0.0249 ( 763 PWs) bands (ev): -24.9867 -24.9867 -11.6450 -11.6450 -3.8157 -3.8157 -3.2547 -3.2547 -2.7275 -2.7275 4.5924 4.5924 4.8482 4.8482 12.4286 12.4286 13.5776 13.5776 18.6792 18.6792 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2205 0.1330 ( 766 PWs) bands (ev): -24.9015 -24.9015 -11.3261 -11.3261 -4.2445 -4.2445 -3.5538 -3.5538 -2.8398 -2.8398 4.0279 4.0279 4.7721 4.7721 12.9469 12.9469 14.7285 14.7285 18.8886 18.8886 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2205 0.2909 ( 767 PWs) bands (ev): -24.7836 -24.7836 -10.9086 -10.9086 -4.8739 -4.8739 -3.8526 -3.8526 -2.9088 -2.9088 3.3272 3.3272 4.6927 4.6927 13.5934 13.5934 16.1469 16.1469 19.2109 19.2109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2205 0.4488 ( 768 PWs) bands (ev): -24.6694 -24.6694 -10.5163 -10.5163 -5.4576 -5.4576 -4.0684 -4.0684 -2.9538 -2.9538 2.7097 2.7097 4.6277 4.6277 14.1700 14.1700 17.2630 17.2630 19.5960 19.5960 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2205 0.6067 ( 769 PWs) bands (ev): -24.5973 -24.5973 -10.3008 -10.3008 -5.7914 -5.7914 -4.1526 -4.1526 -2.9779 -2.9779 2.3505 2.3505 4.5956 4.5956 14.5018 14.5018 17.6125 17.6125 19.2898 19.2898 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2205-0.9723 ( 765 PWs) bands (ev): -24.5932 -24.5932 -10.3642 -10.3642 -5.7777 -5.7777 -4.0728 -4.0728 -2.9792 -2.9792 2.3525 2.3525 4.6053 4.6053 14.4509 14.4509 17.7115 17.7115 18.9704 18.9704 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2205-0.8144 ( 768 PWs) bands (ev): -24.6584 -24.6584 -10.6745 -10.6745 -5.4109 -5.4109 -3.8754 -3.8754 -2.9567 -2.9567 2.7178 2.7178 4.6538 4.6538 14.0323 14.0323 17.1688 17.1688 19.0446 19.0446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2205-0.6565 ( 768 PWs) bands (ev): -24.7693 -24.7693 -11.0954 -11.0954 -4.7806 -4.7806 -3.6506 -3.6506 -2.9111 -2.9111 3.3459 3.3459 4.7265 4.7265 13.4174 13.4174 15.7745 15.7745 19.4379 19.4379 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2205-0.4986 ( 765 PWs) bands (ev): -24.8884 -24.8884 -11.4822 -11.4822 -4.0864 -4.0864 -3.4534 -3.4534 -2.8401 -2.8401 4.0573 4.0573 4.8020 4.8020 12.8064 12.8064 14.3461 14.3461 19.0859 19.0860 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2205-0.3407 ( 762 PWs) bands (ev): -24.9790 -24.9790 -11.7321 -11.7321 -3.6613 -3.6613 -3.2582 -3.2582 -2.7279 -2.7279 4.6221 4.6221 4.8616 4.8616 12.3773 12.3773 13.3163 13.3163 18.7829 18.7829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3312-0.4753 ( 762 PWs) bands (ev): -24.9790 -24.9790 -11.7321 -11.7321 -3.6613 -3.6613 -3.2582 -3.2582 -2.7279 -2.7279 4.6221 4.6221 4.8616 4.8616 12.3773 12.3773 13.3163 13.3163 18.7829 18.7829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3312-0.3174 ( 770 PWs) bands (ev): -24.9337 -24.9337 -11.5800 -11.5800 -3.8432 -3.8432 -3.3764 -3.3764 -2.9096 -2.9096 4.3759 4.3759 4.7611 4.7611 12.6387 12.6387 13.9795 13.9795 18.9775 18.9775 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3312-0.1595 ( 772 PWs) bands (ev): -24.8389 -24.8389 -11.2594 -11.2594 -4.2922 -4.2922 -3.5755 -3.5755 -3.1376 -3.1376 3.8521 3.8521 4.6181 4.6181 13.1441 13.1441 15.2058 15.2058 19.2996 19.2996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3312-0.0016 ( 771 PWs) bands (ev): -24.7219 -24.7219 -10.8467 -10.8467 -4.9162 -4.9162 -3.8160 -3.8160 -3.2394 -3.2394 3.2080 3.2080 4.5093 4.5093 13.7412 13.7412 16.6061 16.6061 19.6093 19.6093 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3312 0.1563 ( 767 PWs) bands (ev): -24.6197 -24.6197 -10.4659 -10.4659 -5.4608 -5.4608 -4.0299 -4.0299 -3.2433 -3.2433 2.6617 2.6617 4.4435 4.4435 14.2584 14.2584 17.6402 17.6402 19.2148 19.2148 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3312 0.3142 ( 766 PWs) bands (ev): -24.5673 -24.5673 -10.2653 -10.2653 -5.7402 -5.7402 -4.1436 -4.1436 -3.1837 -3.1837 2.3789 2.3789 4.4296 4.4296 14.5292 14.5292 17.9470 17.9470 19.1202 19.1202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3312-1.2648 ( 765 PWs) bands (ev): -24.5837 -24.5837 -10.3398 -10.3398 -5.6755 -5.6755 -4.1027 -4.1027 -3.0913 -3.0913 2.4448 2.4448 4.4672 4.4672 14.4311 14.4311 17.9874 17.9874 19.0127 19.0127 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3312-1.1069 ( 764 PWs) bands (ev): -24.6629 -24.6629 -10.6526 -10.6526 -5.2805 -5.2805 -3.9298 -3.9298 -2.9978 -2.9978 2.8442 2.8442 4.5424 4.5424 13.9940 13.9940 17.1484 17.1484 19.2252 19.2252 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3312-0.9490 ( 757 PWs) bands (ev): -24.7768 -24.7768 -11.0682 -11.0682 -4.6629 -4.6629 -3.6956 -3.6956 -2.9280 -2.9280 3.4678 3.4678 4.6291 4.6291 13.3833 13.3833 15.6613 15.6613 19.1503 19.1503 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3312-0.7911 ( 758 PWs) bands (ev): -24.8878 -24.8878 -11.4452 -11.4452 -4.0458 -4.0458 -3.4450 -3.4450 -2.8794 -2.8794 4.1398 4.1398 4.6963 4.6963 12.7989 12.7989 14.3182 14.3182 18.9205 18.9205 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3312-0.6332 ( 756 PWs) bands (ev): -24.9622 -24.9622 -11.6839 -11.6839 -3.7080 -3.7080 -3.2525 -3.2525 -2.7847 -2.7847 4.6305 4.6305 4.7358 4.7358 12.4285 12.4285 13.4538 13.4538 18.7705 18.7705 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1760-0.4461 ( 765 PWs) bands (ev): -24.8884 -24.8884 -11.4822 -11.4822 -4.0864 -4.0864 -3.4534 -3.4534 -2.8401 -2.8401 4.0573 4.0573 4.8020 4.8020 12.8064 12.8064 14.3461 14.3461 19.0859 19.0859 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1760-0.2882 ( 768 PWs) bands (ev): -24.8329 -24.8329 -11.3311 -11.3311 -4.2476 -4.2476 -3.4950 -3.4950 -3.1459 -3.1459 3.8569 3.8569 4.6388 4.6388 13.0894 13.0894 15.0279 15.0279 19.4111 19.4112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1760-0.1303 ( 775 PWs) bands (ev): -24.7369 -24.7369 -11.0248 -11.0248 -4.4864 -4.4864 -3.6299 -3.6299 -3.5967 -3.5967 3.5338 3.5338 4.3481 4.3481 13.5692 13.5692 16.1497 16.1497 19.7960 19.7960 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1760 0.0276 ( 768 PWs) bands (ev): -24.6289 -24.6289 -10.6389 -10.6389 -4.9106 -4.9106 -3.9344 -3.9344 -3.7274 -3.7274 3.0933 3.0933 4.1340 4.1340 14.1161 14.1161 17.3282 17.3282 19.2407 19.2407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1760 0.1855 ( 766 PWs) bands (ev): -24.5434 -24.5434 -10.2911 -10.2911 -5.3784 -5.3784 -4.0675 -4.0675 -3.7566 -3.7566 2.6872 2.6872 4.0447 4.0447 14.5740 14.5740 18.1799 18.1799 18.7824 18.7824 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1760 0.3434 ( 765 PWs) bands (ev): -24.5100 -24.5100 -10.1158 -10.1158 -5.6298 -5.6298 -4.1519 -4.1519 -3.6330 -3.6330 2.4901 2.4901 4.0508 4.0508 14.7753 14.7753 18.3410 18.3410 18.7409 18.7409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1760-1.2356 ( 764 PWs) bands (ev): -24.5410 -24.5410 -10.1946 -10.1946 -5.5677 -5.5677 -4.1209 -4.1209 -3.4543 -3.4543 2.5868 2.5868 4.1223 4.1223 14.6109 14.6109 18.0564 18.0564 18.9103 18.9103 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1760-1.0777 ( 766 PWs) bands (ev): -24.6253 -24.6253 -10.4902 -10.4902 -5.2168 -5.2168 -3.9604 -3.9604 -3.3017 -3.3017 2.9573 2.9573 4.2266 4.2266 14.1495 14.1495 17.1699 17.1699 19.0223 19.0223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1760-0.9198 ( 761 PWs) bands (ev): -24.7337 -24.7337 -10.8781 -10.8781 -4.7050 -4.7050 -3.7127 -3.7127 -3.2126 -3.2126 3.4909 3.4909 4.3338 4.3338 13.5775 13.5775 15.9468 15.9468 18.9778 18.9778 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1760-0.7619 ( 764 PWs) bands (ev): -24.8310 -24.8310 -11.2275 -11.2275 -4.2528 -4.2528 -3.4848 -3.4848 -3.1088 -3.1088 3.9803 3.9803 4.4613 4.4613 13.0798 13.0798 14.9107 14.9107 18.9072 18.9072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.1760-0.6040 ( 758 PWs) bands (ev): -24.8878 -24.8878 -11.4452 -11.4452 -4.0458 -4.0458 -3.4450 -3.4450 -2.8794 -2.8794 4.1398 4.1398 4.6963 4.6963 12.7989 12.7989 14.3182 14.3182 18.9205 18.9205 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0209-0.4168 ( 768 PWs) bands (ev): -24.7693 -24.7693 -11.0954 -11.0954 -4.7806 -4.7806 -3.6506 -3.6506 -2.9111 -2.9111 3.3459 3.3459 4.7265 4.7265 13.4174 13.4174 15.7745 15.7745 19.4379 19.4379 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0209-0.2589 ( 767 PWs) bands (ev): -24.7137 -24.7137 -10.9542 -10.9542 -4.8944 -4.8944 -3.6483 -3.6483 -3.2614 -3.2614 3.1968 3.1968 4.5506 4.5506 13.6957 13.6957 16.3392 16.3392 19.4711 19.4711 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0209-0.1010 ( 758 PWs) bands (ev): -24.6260 -24.6260 -10.6780 -10.6780 -4.9103 -4.9103 -3.9204 -3.9204 -3.6821 -3.6821 3.0654 3.0654 4.1746 4.1746 14.1440 14.1440 17.1673 17.1673 19.1139 19.1139 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0209 0.0569 ( 766 PWs) bands (ev): -24.5326 -24.5326 -10.3382 -10.3382 -4.8426 -4.8426 -4.5652 -4.5652 -3.8142 -3.8142 2.9465 2.9465 3.7812 3.7812 14.6371 14.6371 17.8358 17.8358 18.8299 18.8299 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0031 0.0031 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0209 0.2148 ( 764 PWs) bands (ev): -24.4634 -24.4634 -10.0395 -10.0395 -5.2431 -5.2431 -4.5169 -4.5169 -3.9441 -3.9441 2.7905 2.7905 3.5815 3.5815 15.0237 15.0237 18.0788 18.0788 18.5235 18.5235 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9999 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0209 0.3727 ( 767 PWs) bands (ev): -24.4423 -24.4423 -9.8944 -9.8944 -5.5642 -5.5642 -4.2621 -4.2621 -3.9881 -3.9881 2.6743 2.6743 3.6008 3.6008 15.1206 15.1206 17.8632 17.8632 18.4817 18.4817 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9994 0.9994 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0209-1.2063 ( 765 PWs) bands (ev): -24.4773 -24.4773 -9.9678 -9.9678 -5.5851 -5.5851 -4.1043 -4.1043 -3.8359 -3.8359 2.7390 2.7390 3.7193 3.7193 14.8432 14.8432 17.5713 17.5713 18.5922 18.5922 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2268 0.2268 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0209-1.0484 ( 764 PWs) bands (ev): -24.5563 -24.5563 -10.2282 -10.2282 -5.3441 -5.3441 -3.9384 -3.9384 -3.6569 -3.6569 2.9953 2.9953 3.8651 3.8651 14.3764 14.3764 17.1261 17.1261 18.7341 18.7341 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0209-0.8905 ( 765 PWs) bands (ev): -24.6521 -24.6521 -10.5699 -10.5699 -4.9809 -4.9809 -3.7480 -3.7480 -3.5127 -3.5127 3.3187 3.3187 4.0451 4.0451 13.9272 13.9272 16.5002 16.5002 18.8603 18.8603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0209-0.7326 ( 761 PWs) bands (ev): -24.7337 -24.7337 -10.8781 -10.8781 -4.7050 -4.7050 -3.7127 -3.7127 -3.2126 -3.2126 3.4909 3.4909 4.3338 4.3338 13.5775 13.5775 15.9468 15.9468 18.9778 18.9778 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0209-0.5747 ( 757 PWs) bands (ev): -24.7768 -24.7768 -11.0682 -11.0682 -4.6629 -4.6629 -3.6956 -3.6956 -2.9280 -2.9280 3.4678 3.4678 4.6291 4.6291 13.3833 13.3833 15.6613 15.6613 19.1503 19.1503 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8657-0.3876 ( 768 PWs) bands (ev): -24.6584 -24.6584 -10.6745 -10.6745 -5.4109 -5.4109 -3.8754 -3.8754 -2.9567 -2.9567 2.7178 2.7178 4.6538 4.6538 14.0323 14.0323 17.1688 17.1688 19.0446 19.0446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8657-0.2297 ( 766 PWs) bands (ev): -24.6137 -24.6137 -10.5514 -10.5514 -5.4754 -5.4754 -3.8520 -3.8520 -3.2770 -3.2770 2.6331 2.6331 4.4928 4.4928 14.3010 14.3010 17.4969 17.4969 18.7133 18.7133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8657-0.0718 ( 768 PWs) bands (ev): -24.5416 -24.5416 -10.3152 -10.3152 -5.4145 -5.4145 -3.9600 -3.9600 -3.7916 -3.7916 2.6374 2.6374 4.1106 4.1106 14.7242 14.7242 17.9627 17.9627 18.4375 18.4375 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8657 0.0861 ( 761 PWs) bands (ev): -24.4638 -24.4638 -10.0304 -10.0304 -5.2704 -5.2704 -4.5219 -4.5219 -3.9267 -3.9267 2.7478 2.7478 3.6389 3.6389 15.1719 15.1719 17.8488 17.8488 18.3894 18.3894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9909 0.9909 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8657 0.2440 ( 763 PWs) bands (ev): -24.4049 -24.4049 -9.7851 -9.7851 -5.4054 -5.4054 -4.6485 -4.6485 -4.0226 -4.0226 2.9154 2.9154 3.2434 3.2434 15.4879 15.4879 17.3821 17.3821 18.1879 18.1879 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8657 0.4019 ( 771 PWs) bands (ev): -24.3853 -24.3853 -9.6677 -9.6677 -5.6954 -5.6954 -4.3600 -4.3600 -4.0807 -4.0807 2.8757 2.8757 3.2417 3.2417 15.4204 15.4204 17.0158 17.0158 18.0821 18.0821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8657-1.1771 ( 768 PWs) bands (ev): -24.4122 -24.4122 -9.7274 -9.7274 -5.7571 -5.7571 -4.0884 -4.0884 -4.0540 -4.0540 2.8279 2.8279 3.4265 3.4265 14.9953 14.9953 17.0195 17.0195 18.1838 18.1838 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8657-1.0192 ( 760 PWs) bands (ev): -24.4766 -24.4766 -9.9417 -9.9417 -5.5919 -5.5919 -3.9510 -3.9510 -3.9140 -3.9140 2.9171 2.9171 3.6063 3.6063 14.6270 14.6270 17.0885 17.0885 18.4326 18.4326 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9992 0.9992 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8657-0.8613 ( 764 PWs) bands (ev): -24.5563 -24.5563 -10.2282 -10.2282 -5.3441 -5.3441 -3.9384 -3.9384 -3.6569 -3.6569 2.9953 2.9953 3.8651 3.8651 14.3764 14.3764 17.1261 17.1261 18.7341 18.7341 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8657-0.7034 ( 766 PWs) bands (ev): -24.6253 -24.6253 -10.4902 -10.4902 -5.2168 -5.2168 -3.9604 -3.9604 -3.3017 -3.3017 2.9573 2.9573 4.2266 4.2266 14.1495 14.1495 17.1699 17.1699 19.0223 19.0223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8657-0.5455 ( 764 PWs) bands (ev): -24.6629 -24.6629 -10.6526 -10.6526 -5.2805 -5.2805 -3.9298 -3.9298 -2.9978 -2.9978 2.8442 2.8442 4.5424 4.5424 13.9940 13.9940 17.1484 17.1484 19.2252 19.2252 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7105-0.3583 ( 765 PWs) bands (ev): -24.5932 -24.5932 -10.3642 -10.3642 -5.7777 -5.7777 -4.0728 -4.0728 -2.9792 -2.9792 2.3525 2.3525 4.6053 4.6053 14.4509 14.4509 17.7115 17.7115 18.9704 18.9704 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7105-0.2004 ( 771 PWs) bands (ev): -24.5672 -24.5672 -10.2620 -10.2620 -5.7944 -5.7944 -4.0508 -4.0508 -3.2231 -3.2231 2.3417 2.3417 4.4706 4.4706 14.7032 14.7032 17.7956 17.7956 18.7617 18.7617 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7105-0.0425 ( 768 PWs) bands (ev): -24.5129 -24.5129 -10.0612 -10.0612 -5.7195 -5.7195 -4.0552 -4.0552 -3.7172 -3.7172 2.4412 2.4412 4.1126 4.1126 15.1061 15.1061 17.8386 17.8386 18.5594 18.5594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7105 0.1154 ( 767 PWs) bands (ev): -24.4463 -24.4463 -9.8192 -9.8192 -5.6427 -5.6427 -4.2331 -4.2331 -4.0515 -4.0515 2.6470 2.6470 3.6577 3.6577 15.5301 15.5301 17.3299 17.3299 18.3020 18.3020 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9646 0.9646 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7105 0.2733 ( 770 PWs) bands (ev): -24.3882 -24.3882 -9.6115 -9.6115 -5.7289 -5.7289 -4.4104 -4.4104 -4.0839 -4.0839 2.8934 2.8934 3.2527 3.2527 15.8584 15.8584 16.5479 16.5479 17.9280 17.9280 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7105 0.4312 ( 778 PWs) bands (ev): -24.3583 -24.3583 -9.5100 -9.5100 -5.8920 -5.8920 -4.3400 -4.3400 -4.0743 -4.0743 2.9177 2.9177 3.1763 3.1763 15.6060 15.6060 16.3381 16.3381 17.7550 17.7550 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7105-1.1478 ( 777 PWs) bands (ev): -24.3674 -24.3674 -9.5537 -9.5537 -5.9097 -5.9097 -4.2286 -4.2286 -4.0434 -4.0434 2.8366 2.8366 3.2962 3.2962 15.1735 15.1735 16.6242 16.6242 17.8599 17.8599 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7105-0.9899 ( 768 PWs) bands (ev): -24.4122 -24.4122 -9.7274 -9.7274 -5.7571 -5.7571 -4.0884 -4.0884 -4.0540 -4.0540 2.8279 2.8279 3.4265 3.4265 14.9953 14.9953 17.0195 17.0195 18.1838 18.1838 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7105-0.8320 ( 765 PWs) bands (ev): -24.4773 -24.4773 -9.9678 -9.9678 -5.5851 -5.5851 -4.1043 -4.1043 -3.8359 -3.8359 2.7390 2.7390 3.7193 3.7193 14.8432 14.8432 17.5713 17.5713 18.5922 18.5922 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.2268 0.2268 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7105-0.6741 ( 764 PWs) bands (ev): -24.5410 -24.5410 -10.1946 -10.1946 -5.5677 -5.5677 -4.1209 -4.1209 -3.4543 -3.4543 2.5868 2.5868 4.1223 4.1223 14.6109 14.6109 18.0564 18.0564 18.9103 18.9103 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7105-0.5162 ( 765 PWs) bands (ev): -24.5837 -24.5837 -10.3398 -10.3398 -5.6755 -5.6755 -4.1027 -4.1027 -3.0913 -3.0913 2.4448 2.4448 4.4672 4.4672 14.4311 14.4311 17.9874 17.9874 19.0127 19.0127 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 the Fermi energy is 3.7027 ev ! total energy = -64.48410548 Ry Harris-Foulkes estimate = -64.48410548 Ry estimated scf accuracy < 5.1E-09 Ry The total energy is the sum of the following terms: one-electron contribution = -26.77206317 Ry hartree contribution = 19.10681658 Ry xc contribution = -14.55364945 Ry ewald contribution = -42.26514430 Ry smearing contrib. (-TS) = -0.00006513 Ry convergence has been achieved in 7 iterations Writing output data file O2.save init_run : 2.83s CPU 3.09s WALL ( 1 calls) electrons : 99.72s CPU 104.15s WALL ( 1 calls) Called by init_run: wfcinit : 2.79s CPU 2.93s WALL ( 1 calls) potinit : 0.00s CPU 0.01s WALL ( 1 calls) Called by electrons: c_bands : 90.71s CPU 94.72s WALL ( 8 calls) sum_band : 8.97s CPU 9.35s WALL ( 8 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 8 calls) v_h : 0.01s CPU 0.00s WALL ( 8 calls) v_xc : 0.00s CPU 0.01s WALL ( 8 calls) newd : 0.01s CPU 0.01s WALL ( 8 calls) mix_rho : 0.01s CPU 0.01s WALL ( 8 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.11s WALL ( 11322 calls) cegterg : 89.65s CPU 92.52s WALL ( 5328 calls) Called by sum_band: sum_band:bec : 0.60s CPU 0.70s WALL ( 5328 calls) addusdens : 0.00s CPU 0.01s WALL ( 8 calls) Called by *egterg: h_psi : 45.51s CPU 47.29s WALL ( 23529 calls) s_psi : 0.50s CPU 0.54s WALL ( 23529 calls) g_psi : 0.07s CPU 0.07s WALL ( 17535 calls) cdiaghg : 39.73s CPU 40.48s WALL ( 22197 calls) cegterg:over : 1.93s CPU 2.06s WALL ( 17535 calls) cegterg:upda : 1.55s CPU 1.67s WALL ( 17535 calls) cegterg:last : 0.70s CPU 0.70s WALL ( 5437 calls) cdiaghg:chol : 2.19s CPU 2.29s WALL ( 22197 calls) cdiaghg:inve : 0.61s CPU 0.50s WALL ( 22197 calls) cdiaghg:para : 2.96s CPU 3.01s WALL ( 44394 calls) Called by h_psi: h_psi:vloc : 43.48s CPU 45.18s WALL ( 23529 calls) h_psi:vnl : 1.96s CPU 2.05s WALL ( 23529 calls) add_vuspsi : 0.63s CPU 0.70s WALL ( 23529 calls) General routines calbec : 1.64s CPU 1.64s WALL ( 28857 calls) fft : 0.02s CPU 0.02s WALL ( 242 calls) ffts : 0.00s CPU 0.00s WALL ( 64 calls) fftw : 48.11s CPU 49.93s WALL ( 1430696 calls) interpolate : 0.00s CPU 0.01s WALL ( 64 calls) Parallel routines fft_scatter : 26.02s CPU 26.91s WALL ( 1431002 calls) PWSCF : 1m49.84s CPU 2m 5.69s WALL This run was terminated on: 21: 3: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=