Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 7:49 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 21 10 4 326 112 26 Max 22 11 5 330 122 28 Sum 785 391 145 11809 4207 981 bravais-lattice index = 14 lattice parameter (alat) = 6.8692 a.u. unit-cell volume = 117.9944 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 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)= 6.869154 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.771736 celldm(5)= 0.771736 celldm(6)= 0.771736 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.771736 0.635944 0.000000 ) a(3) = ( 0.771736 0.277005 0.572444 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.213528 -0.760916 ) b(2) = ( 0.000000 1.572467 -0.760916 ) b(3) = ( 0.000000 0.000000 1.746896 ) PseudoPot. # 1 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 C 4.00 12.01070 C( 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= 868 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0005787 k( 2) = ( 0.0000000 0.0000000 0.1455746), wk = 0.0011574 k( 3) = ( 0.0000000 0.0000000 0.2911493), wk = 0.0011574 k( 4) = ( 0.0000000 0.0000000 0.4367239), wk = 0.0011574 k( 5) = ( 0.0000000 0.0000000 0.5822985), wk = 0.0011574 k( 6) = ( 0.0000000 0.0000000 0.7278731), wk = 0.0011574 k( 7) = ( 0.0000000 0.0000000 -0.8734478), wk = 0.0005787 k( 8) = ( 0.0000000 0.1310389 -0.0634096), wk = 0.0011574 k( 9) = ( 0.0000000 0.1310389 0.0821650), wk = 0.0011574 k( 10) = ( 0.0000000 0.1310389 0.2277396), wk = 0.0011574 k( 11) = ( 0.0000000 0.1310389 0.3733142), wk = 0.0011574 k( 12) = ( 0.0000000 0.1310389 0.5188889), wk = 0.0011574 k( 13) = ( 0.0000000 0.1310389 0.6644635), wk = 0.0011574 k( 14) = ( 0.0000000 0.1310389 -0.9368574), wk = 0.0011574 k( 15) = ( 0.0000000 0.1310389 -0.7912828), wk = 0.0011574 k( 16) = ( 0.0000000 0.1310389 -0.6457082), wk = 0.0011574 k( 17) = ( 0.0000000 0.1310389 -0.5001335), wk = 0.0011574 k( 18) = ( 0.0000000 0.1310389 -0.3545589), wk = 0.0011574 k( 19) = ( 0.0000000 0.1310389 -0.2089843), wk = 0.0011574 k( 20) = ( 0.0000000 0.2620778 -0.1268193), wk = 0.0011574 k( 21) = ( 0.0000000 0.2620778 0.0187553), wk = 0.0011574 k( 22) = ( 0.0000000 0.2620778 0.1643300), wk = 0.0011574 k( 23) = ( 0.0000000 0.2620778 0.3099046), wk = 0.0011574 k( 24) = ( 0.0000000 0.2620778 0.4554792), wk = 0.0011574 k( 25) = ( 0.0000000 0.2620778 0.6010539), wk = 0.0011574 k( 26) = ( 0.0000000 0.2620778 -1.0002671), wk = 0.0011574 k( 27) = ( 0.0000000 0.2620778 -0.8546924), wk = 0.0011574 k( 28) = ( 0.0000000 0.2620778 -0.7091178), wk = 0.0011574 k( 29) = ( 0.0000000 0.2620778 -0.5635432), wk = 0.0011574 k( 30) = ( 0.0000000 0.2620778 -0.4179685), wk = 0.0011574 k( 31) = ( 0.0000000 0.2620778 -0.2723939), wk = 0.0011574 k( 32) = ( 0.0000000 0.3931167 -0.1902289), wk = 0.0011574 k( 33) = ( 0.0000000 0.3931167 -0.0446543), wk = 0.0011574 k( 34) = ( 0.0000000 0.3931167 0.1009203), wk = 0.0011574 k( 35) = ( 0.0000000 0.3931167 0.2464950), wk = 0.0011574 k( 36) = ( 0.0000000 0.3931167 0.3920696), wk = 0.0011574 k( 37) = ( 0.0000000 0.3931167 0.5376442), wk = 0.0011574 k( 38) = ( 0.0000000 0.3931167 -1.0636767), wk = 0.0011574 k( 39) = ( 0.0000000 0.3931167 -0.9181021), wk = 0.0011574 k( 40) = ( 0.0000000 0.3931167 -0.7725275), wk = 0.0011574 k( 41) = ( 0.0000000 0.3931167 -0.6269528), wk = 0.0011574 k( 42) = ( 0.0000000 0.3931167 -0.4813782), wk = 0.0011574 k( 43) = ( 0.0000000 0.3931167 -0.3358036), wk = 0.0011574 k( 44) = ( 0.0000000 0.5241555 -0.2536386), wk = 0.0011574 k( 45) = ( 0.0000000 0.5241555 -0.1080639), wk = 0.0011574 k( 46) = ( 0.0000000 0.5241555 0.0375107), wk = 0.0011574 k( 47) = ( 0.0000000 0.5241555 0.1830853), wk = 0.0011574 k( 48) = ( 0.0000000 0.5241555 0.3286599), wk = 0.0011574 k( 49) = ( 0.0000000 0.5241555 0.4742346), wk = 0.0011574 k( 50) = ( 0.0000000 0.5241555 -1.1270864), wk = 0.0011574 k( 51) = ( 0.0000000 0.5241555 -0.9815117), wk = 0.0011574 k( 52) = ( 0.0000000 0.5241555 -0.8359371), wk = 0.0011574 k( 53) = ( 0.0000000 0.5241555 -0.6903625), wk = 0.0011574 k( 54) = ( 0.0000000 0.5241555 -0.5447878), wk = 0.0011574 k( 55) = ( 0.0000000 0.5241555 -0.3992132), wk = 0.0011574 k( 56) = ( 0.0000000 0.6551944 -0.3170482), wk = 0.0011574 k( 57) = ( 0.0000000 0.6551944 -0.1714736), wk = 0.0011574 k( 58) = ( 0.0000000 0.6551944 -0.0258990), wk = 0.0011574 k( 59) = ( 0.0000000 0.6551944 0.1196757), wk = 0.0011574 k( 60) = ( 0.0000000 0.6551944 0.2652503), wk = 0.0011574 k( 61) = ( 0.0000000 0.6551944 0.4108249), wk = 0.0011574 k( 62) = ( 0.0000000 0.6551944 -1.1904960), wk = 0.0011574 k( 63) = ( 0.0000000 0.6551944 -1.0449214), wk = 0.0011574 k( 64) = ( 0.0000000 0.6551944 -0.8993467), wk = 0.0011574 k( 65) = ( 0.0000000 0.6551944 -0.7537721), wk = 0.0011574 k( 66) = ( 0.0000000 0.6551944 -0.6081975), wk = 0.0011574 k( 67) = ( 0.0000000 0.6551944 -0.4626228), wk = 0.0011574 k( 68) = ( 0.0000000 -0.7862333 0.3804579), wk = 0.0005787 k( 69) = ( 0.0000000 -0.7862333 0.5260325), wk = 0.0011574 k( 70) = ( 0.0000000 -0.7862333 0.6716071), wk = 0.0011574 k( 71) = ( 0.0000000 -0.7862333 0.8171818), wk = 0.0011574 k( 72) = ( 0.0000000 -0.7862333 0.9627564), wk = 0.0011574 k( 73) = ( 0.0000000 -0.7862333 1.1083310), wk = 0.0011574 k( 74) = ( 0.0000000 -0.7862333 -0.4929899), wk = 0.0005787 k( 75) = ( 0.0833333 -0.1011274 -0.0634096), wk = 0.0011574 k( 76) = ( 0.0833333 -0.1011274 0.0821650), wk = 0.0011574 k( 77) = ( 0.0833333 -0.1011274 0.2277396), wk = 0.0011574 k( 78) = ( 0.0833333 -0.1011274 0.3733142), wk = 0.0011574 k( 79) = ( 0.0833333 -0.1011274 0.5188889), wk = 0.0011574 k( 80) = ( 0.0833333 -0.1011274 0.6644635), wk = 0.0011574 k( 81) = ( 0.0833333 -0.1011274 -0.9368574), wk = 0.0011574 k( 82) = ( 0.0833333 -0.1011274 -0.7912828), wk = 0.0011574 k( 83) = ( 0.0833333 -0.1011274 -0.6457082), wk = 0.0011574 k( 84) = ( 0.0833333 -0.1011274 -0.5001335), wk = 0.0011574 k( 85) = ( 0.0833333 -0.1011274 -0.3545589), wk = 0.0011574 k( 86) = ( 0.0833333 -0.1011274 -0.2089843), wk = 0.0011574 k( 87) = ( 0.0833333 0.0299115 -0.1268193), wk = 0.0011574 k( 88) = ( 0.0833333 0.0299115 0.0187553), wk = 0.0011574 k( 89) = ( 0.0833333 0.0299115 0.1643300), wk = 0.0011574 k( 90) = ( 0.0833333 0.0299115 0.3099046), wk = 0.0011574 k( 91) = ( 0.0833333 0.0299115 0.4554792), wk = 0.0011574 k( 92) = ( 0.0833333 0.0299115 0.6010539), wk = 0.0011574 k( 93) = ( 0.0833333 0.0299115 -1.0002671), wk = 0.0011574 k( 94) = ( 0.0833333 0.0299115 -0.8546924), wk = 0.0011574 k( 95) = ( 0.0833333 0.0299115 -0.7091178), wk = 0.0011574 k( 96) = ( 0.0833333 0.0299115 -0.5635432), wk = 0.0011574 k( 97) = ( 0.0833333 0.0299115 -0.4179685), wk = 0.0011574 k( 98) = ( 0.0833333 0.0299115 -0.2723939), wk = 0.0011574 k( 99) = ( 0.0833333 0.1609504 -0.1902289), wk = 0.0011574 k( 100) = ( 0.0833333 0.1609504 -0.0446543), wk = 0.0011574 k( 101) = ( 0.0833333 0.1609504 0.1009203), wk = 0.0011574 k( 102) = ( 0.0833333 0.1609504 0.2464950), wk = 0.0011574 k( 103) = ( 0.0833333 0.1609504 0.3920696), wk = 0.0011574 k( 104) = ( 0.0833333 0.1609504 0.5376442), wk = 0.0011574 k( 105) = ( 0.0833333 0.1609504 -1.0636767), wk = 0.0011574 k( 106) = ( 0.0833333 0.1609504 -0.9181021), wk = 0.0011574 k( 107) = ( 0.0833333 0.1609504 -0.7725275), wk = 0.0011574 k( 108) = ( 0.0833333 0.1609504 -0.6269528), wk = 0.0011574 k( 109) = ( 0.0833333 0.1609504 -0.4813782), wk = 0.0011574 k( 110) = ( 0.0833333 0.1609504 -0.3358036), wk = 0.0011574 k( 111) = ( 0.0833333 0.2919893 -0.2536386), wk = 0.0011574 k( 112) = ( 0.0833333 0.2919893 -0.1080639), wk = 0.0011574 k( 113) = ( 0.0833333 0.2919893 0.0375107), wk = 0.0011574 k( 114) = ( 0.0833333 0.2919893 0.1830853), wk = 0.0011574 k( 115) = ( 0.0833333 0.2919893 0.3286599), wk = 0.0011574 k( 116) = ( 0.0833333 0.2919893 0.4742346), wk = 0.0011574 k( 117) = ( 0.0833333 0.2919893 -1.1270864), wk = 0.0011574 k( 118) = ( 0.0833333 0.2919893 -0.9815117), wk = 0.0011574 k( 119) = ( 0.0833333 0.2919893 -0.8359371), wk = 0.0011574 k( 120) = ( 0.0833333 0.2919893 -0.6903625), wk = 0.0011574 k( 121) = ( 0.0833333 0.2919893 -0.5447878), wk = 0.0011574 k( 122) = ( 0.0833333 0.2919893 -0.3992132), wk = 0.0011574 k( 123) = ( 0.0833333 0.4230282 -0.3170482), wk = 0.0011574 k( 124) = ( 0.0833333 0.4230282 -0.1714736), wk = 0.0011574 k( 125) = ( 0.0833333 0.4230282 -0.0258990), wk = 0.0011574 k( 126) = ( 0.0833333 0.4230282 0.1196757), wk = 0.0011574 k( 127) = ( 0.0833333 0.4230282 0.2652503), wk = 0.0011574 k( 128) = ( 0.0833333 0.4230282 0.4108249), wk = 0.0011574 k( 129) = ( 0.0833333 0.4230282 -1.1904960), wk = 0.0011574 k( 130) = ( 0.0833333 0.4230282 -1.0449214), wk = 0.0011574 k( 131) = ( 0.0833333 0.4230282 -0.8993467), wk = 0.0011574 k( 132) = ( 0.0833333 0.4230282 -0.7537721), wk = 0.0011574 k( 133) = ( 0.0833333 0.4230282 -0.6081975), wk = 0.0011574 k( 134) = ( 0.0833333 0.4230282 -0.4626228), wk = 0.0011574 k( 135) = ( 0.0833333 0.5540671 -0.3804579), wk = 0.0011574 k( 136) = ( 0.0833333 0.5540671 -0.2348832), wk = 0.0011574 k( 137) = ( 0.0833333 0.5540671 -0.0893086), wk = 0.0011574 k( 138) = ( 0.0833333 0.5540671 0.0562660), wk = 0.0011574 k( 139) = ( 0.0833333 0.5540671 0.2018407), wk = 0.0011574 k( 140) = ( 0.0833333 0.5540671 0.3474153), wk = 0.0011574 k( 141) = ( 0.0833333 0.5540671 -1.2539056), wk = 0.0011574 k( 142) = ( 0.0833333 0.5540671 -1.1083310), wk = 0.0011574 k( 143) = ( 0.0833333 0.5540671 -0.9627564), wk = 0.0011574 k( 144) = ( 0.0833333 0.5540671 -0.8171818), wk = 0.0011574 k( 145) = ( 0.0833333 0.5540671 -0.6716071), wk = 0.0011574 k( 146) = ( 0.0833333 0.5540671 -0.5260325), wk = 0.0011574 k( 147) = ( 0.0833333 -0.8873607 0.3170482), wk = 0.0011574 k( 148) = ( 0.0833333 -0.8873607 0.4626228), wk = 0.0011574 k( 149) = ( 0.0833333 -0.8873607 0.6081975), wk = 0.0011574 k( 150) = ( 0.0833333 -0.8873607 0.7537721), wk = 0.0011574 k( 151) = ( 0.0833333 -0.8873607 0.8993467), wk = 0.0011574 k( 152) = ( 0.0833333 -0.8873607 1.0449214), wk = 0.0011574 k( 153) = ( 0.0833333 -0.8873607 -0.5563996), wk = 0.0011574 k( 154) = ( 0.0833333 -0.8873607 -0.4108249), wk = 0.0011574 k( 155) = ( 0.0833333 -0.8873607 -0.2652503), wk = 0.0011574 k( 156) = ( 0.0833333 -0.8873607 -0.1196757), wk = 0.0011574 k( 157) = ( 0.0833333 -0.8873607 0.0258990), wk = 0.0011574 k( 158) = ( 0.0833333 -0.8873607 0.1714736), wk = 0.0011574 k( 159) = ( 0.0833333 -0.7563218 0.2536386), wk = 0.0011574 k( 160) = ( 0.0833333 -0.7563218 0.3992132), wk = 0.0011574 k( 161) = ( 0.0833333 -0.7563218 0.5447878), wk = 0.0011574 k( 162) = ( 0.0833333 -0.7563218 0.6903625), wk = 0.0011574 k( 163) = ( 0.0833333 -0.7563218 0.8359371), wk = 0.0011574 k( 164) = ( 0.0833333 -0.7563218 0.9815117), wk = 0.0011574 k( 165) = ( 0.0833333 -0.7563218 -0.6198092), wk = 0.0011574 k( 166) = ( 0.0833333 -0.7563218 -0.4742346), wk = 0.0011574 k( 167) = ( 0.0833333 -0.7563218 -0.3286599), wk = 0.0011574 k( 168) = ( 0.0833333 -0.7563218 -0.1830853), wk = 0.0011574 k( 169) = ( 0.0833333 -0.7563218 -0.0375107), wk = 0.0011574 k( 170) = ( 0.0833333 -0.7563218 0.1080639), wk = 0.0011574 k( 171) = ( 0.0833333 -0.6252829 0.1902289), wk = 0.0011574 k( 172) = ( 0.0833333 -0.6252829 0.3358036), wk = 0.0011574 k( 173) = ( 0.0833333 -0.6252829 0.4813782), wk = 0.0011574 k( 174) = ( 0.0833333 -0.6252829 0.6269528), wk = 0.0011574 k( 175) = ( 0.0833333 -0.6252829 0.7725275), wk = 0.0011574 k( 176) = ( 0.0833333 -0.6252829 0.9181021), wk = 0.0011574 k( 177) = ( 0.0833333 -0.6252829 -0.6832188), wk = 0.0011574 k( 178) = ( 0.0833333 -0.6252829 -0.5376442), wk = 0.0011574 k( 179) = ( 0.0833333 -0.6252829 -0.3920696), wk = 0.0011574 k( 180) = ( 0.0833333 -0.6252829 -0.2464950), wk = 0.0011574 k( 181) = ( 0.0833333 -0.6252829 -0.1009203), wk = 0.0011574 k( 182) = ( 0.0833333 -0.6252829 0.0446543), wk = 0.0011574 k( 183) = ( 0.0833333 -0.4942440 0.1268193), wk = 0.0011574 k( 184) = ( 0.0833333 -0.4942440 0.2723939), wk = 0.0011574 k( 185) = ( 0.0833333 -0.4942440 0.4179685), wk = 0.0011574 k( 186) = ( 0.0833333 -0.4942440 0.5635432), wk = 0.0011574 k( 187) = ( 0.0833333 -0.4942440 0.7091178), wk = 0.0011574 k( 188) = ( 0.0833333 -0.4942440 0.8546924), wk = 0.0011574 k( 189) = ( 0.0833333 -0.4942440 -0.7466285), wk = 0.0011574 k( 190) = ( 0.0833333 -0.4942440 -0.6010539), wk = 0.0011574 k( 191) = ( 0.0833333 -0.4942440 -0.4554792), wk = 0.0011574 k( 192) = ( 0.0833333 -0.4942440 -0.3099046), wk = 0.0011574 k( 193) = ( 0.0833333 -0.4942440 -0.1643300), wk = 0.0011574 k( 194) = ( 0.0833333 -0.4942440 -0.0187553), wk = 0.0011574 k( 195) = ( 0.0833333 -0.3632051 0.0634096), wk = 0.0011574 k( 196) = ( 0.0833333 -0.3632051 0.2089843), wk = 0.0011574 k( 197) = ( 0.0833333 -0.3632051 0.3545589), wk = 0.0011574 k( 198) = ( 0.0833333 -0.3632051 0.5001335), wk = 0.0011574 k( 199) = ( 0.0833333 -0.3632051 0.6457082), wk = 0.0011574 k( 200) = ( 0.0833333 -0.3632051 0.7912828), wk = 0.0011574 k( 201) = ( 0.0833333 -0.3632051 -0.8100381), wk = 0.0011574 k( 202) = ( 0.0833333 -0.3632051 -0.6644635), wk = 0.0011574 k( 203) = ( 0.0833333 -0.3632051 -0.5188889), wk = 0.0011574 k( 204) = ( 0.0833333 -0.3632051 -0.3733142), wk = 0.0011574 k( 205) = ( 0.0833333 -0.3632051 -0.2277396), wk = 0.0011574 k( 206) = ( 0.0833333 -0.3632051 -0.0821650), wk = 0.0011574 k( 207) = ( 0.0833333 -0.2321663 0.0000000), wk = 0.0011574 k( 208) = ( 0.0833333 -0.2321663 0.1455746), wk = 0.0011574 k( 209) = ( 0.0833333 -0.2321663 0.2911493), wk = 0.0011574 k( 210) = ( 0.0833333 -0.2321663 0.4367239), wk = 0.0011574 k( 211) = ( 0.0833333 -0.2321663 0.5822985), wk = 0.0011574 k( 212) = ( 0.0833333 -0.2321663 0.7278731), wk = 0.0011574 k( 213) = ( 0.0833333 -0.2321663 -0.8734478), wk = 0.0011574 k( 214) = ( 0.0833333 -0.2321663 -0.7278731), wk = 0.0011574 k( 215) = ( 0.0833333 -0.2321663 -0.5822985), wk = 0.0011574 k( 216) = ( 0.0833333 -0.2321663 -0.4367239), wk = 0.0011574 k( 217) = ( 0.0833333 -0.2321663 -0.2911493), wk = 0.0011574 k( 218) = ( 0.0833333 -0.2321663 -0.1455746), wk = 0.0011574 k( 219) = ( 0.1666667 -0.2022547 -0.1268193), wk = 0.0011574 k( 220) = ( 0.1666667 -0.2022547 0.0187553), wk = 0.0011574 k( 221) = ( 0.1666667 -0.2022547 0.1643300), wk = 0.0011574 k( 222) = ( 0.1666667 -0.2022547 0.3099046), wk = 0.0011574 k( 223) = ( 0.1666667 -0.2022547 0.4554792), wk = 0.0011574 k( 224) = ( 0.1666667 -0.2022547 0.6010539), wk = 0.0011574 k( 225) = ( 0.1666667 -0.2022547 -1.0002671), wk = 0.0011574 k( 226) = ( 0.1666667 -0.2022547 -0.8546924), wk = 0.0011574 k( 227) = ( 0.1666667 -0.2022547 -0.7091178), wk = 0.0011574 k( 228) = ( 0.1666667 -0.2022547 -0.5635432), wk = 0.0011574 k( 229) = ( 0.1666667 -0.2022547 -0.4179685), wk = 0.0011574 k( 230) = ( 0.1666667 -0.2022547 -0.2723939), wk = 0.0011574 k( 231) = ( 0.1666667 -0.0712159 -0.1902289), wk = 0.0011574 k( 232) = ( 0.1666667 -0.0712159 -0.0446543), wk = 0.0011574 k( 233) = ( 0.1666667 -0.0712159 0.1009203), wk = 0.0011574 k( 234) = ( 0.1666667 -0.0712159 0.2464950), wk = 0.0011574 k( 235) = ( 0.1666667 -0.0712159 0.3920696), wk = 0.0011574 k( 236) = ( 0.1666667 -0.0712159 0.5376442), wk = 0.0011574 k( 237) = ( 0.1666667 -0.0712159 -1.0636767), wk = 0.0011574 k( 238) = ( 0.1666667 -0.0712159 -0.9181021), wk = 0.0011574 k( 239) = ( 0.1666667 -0.0712159 -0.7725275), wk = 0.0011574 k( 240) = ( 0.1666667 -0.0712159 -0.6269528), wk = 0.0011574 k( 241) = ( 0.1666667 -0.0712159 -0.4813782), wk = 0.0011574 k( 242) = ( 0.1666667 -0.0712159 -0.3358036), wk = 0.0011574 k( 243) = ( 0.1666667 0.0598230 -0.2536386), wk = 0.0011574 k( 244) = ( 0.1666667 0.0598230 -0.1080639), wk = 0.0011574 k( 245) = ( 0.1666667 0.0598230 0.0375107), wk = 0.0011574 k( 246) = ( 0.1666667 0.0598230 0.1830853), wk = 0.0011574 k( 247) = ( 0.1666667 0.0598230 0.3286599), wk = 0.0011574 k( 248) = ( 0.1666667 0.0598230 0.4742346), wk = 0.0011574 k( 249) = ( 0.1666667 0.0598230 -1.1270864), wk = 0.0011574 k( 250) = ( 0.1666667 0.0598230 -0.9815117), wk = 0.0011574 k( 251) = ( 0.1666667 0.0598230 -0.8359371), wk = 0.0011574 k( 252) = ( 0.1666667 0.0598230 -0.6903625), wk = 0.0011574 k( 253) = ( 0.1666667 0.0598230 -0.5447878), wk = 0.0011574 k( 254) = ( 0.1666667 0.0598230 -0.3992132), wk = 0.0011574 k( 255) = ( 0.1666667 0.1908619 -0.3170482), wk = 0.0011574 k( 256) = ( 0.1666667 0.1908619 -0.1714736), wk = 0.0011574 k( 257) = ( 0.1666667 0.1908619 -0.0258990), wk = 0.0011574 k( 258) = ( 0.1666667 0.1908619 0.1196757), wk = 0.0011574 k( 259) = ( 0.1666667 0.1908619 0.2652503), wk = 0.0011574 k( 260) = ( 0.1666667 0.1908619 0.4108249), wk = 0.0011574 k( 261) = ( 0.1666667 0.1908619 -1.1904960), wk = 0.0011574 k( 262) = ( 0.1666667 0.1908619 -1.0449214), wk = 0.0011574 k( 263) = ( 0.1666667 0.1908619 -0.8993467), wk = 0.0011574 k( 264) = ( 0.1666667 0.1908619 -0.7537721), wk = 0.0011574 k( 265) = ( 0.1666667 0.1908619 -0.6081975), wk = 0.0011574 k( 266) = ( 0.1666667 0.1908619 -0.4626228), wk = 0.0011574 k( 267) = ( 0.1666667 0.3219008 -0.3804579), wk = 0.0011574 k( 268) = ( 0.1666667 0.3219008 -0.2348832), wk = 0.0011574 k( 269) = ( 0.1666667 0.3219008 -0.0893086), wk = 0.0011574 k( 270) = ( 0.1666667 0.3219008 0.0562660), wk = 0.0011574 k( 271) = ( 0.1666667 0.3219008 0.2018407), wk = 0.0011574 k( 272) = ( 0.1666667 0.3219008 0.3474153), wk = 0.0011574 k( 273) = ( 0.1666667 0.3219008 -1.2539056), wk = 0.0011574 k( 274) = ( 0.1666667 0.3219008 -1.1083310), wk = 0.0011574 k( 275) = ( 0.1666667 0.3219008 -0.9627564), wk = 0.0011574 k( 276) = ( 0.1666667 0.3219008 -0.8171818), wk = 0.0011574 k( 277) = ( 0.1666667 0.3219008 -0.6716071), wk = 0.0011574 k( 278) = ( 0.1666667 0.3219008 -0.5260325), wk = 0.0011574 k( 279) = ( 0.1666667 0.4529397 -0.4438675), wk = 0.0011574 k( 280) = ( 0.1666667 0.4529397 -0.2982929), wk = 0.0011574 k( 281) = ( 0.1666667 0.4529397 -0.1527182), wk = 0.0011574 k( 282) = ( 0.1666667 0.4529397 -0.0071436), wk = 0.0011574 k( 283) = ( 0.1666667 0.4529397 0.1384310), wk = 0.0011574 k( 284) = ( 0.1666667 0.4529397 0.2840056), wk = 0.0011574 k( 285) = ( 0.1666667 0.4529397 -1.3173153), wk = 0.0011574 k( 286) = ( 0.1666667 0.4529397 -1.1717407), wk = 0.0011574 k( 287) = ( 0.1666667 0.4529397 -1.0261660), wk = 0.0011574 k( 288) = ( 0.1666667 0.4529397 -0.8805914), wk = 0.0011574 k( 289) = ( 0.1666667 0.4529397 -0.7350168), wk = 0.0011574 k( 290) = ( 0.1666667 0.4529397 -0.5894421), wk = 0.0011574 k( 291) = ( 0.1666667 -0.9884881 0.2536386), wk = 0.0011574 k( 292) = ( 0.1666667 -0.9884881 0.3992132), wk = 0.0011574 k( 293) = ( 0.1666667 -0.9884881 0.5447878), wk = 0.0011574 k( 294) = ( 0.1666667 -0.9884881 0.6903625), wk = 0.0011574 k( 295) = ( 0.1666667 -0.9884881 0.8359371), wk = 0.0011574 k( 296) = ( 0.1666667 -0.9884881 0.9815117), wk = 0.0011574 k( 297) = ( 0.1666667 -0.9884881 -0.6198092), wk = 0.0011574 k( 298) = ( 0.1666667 -0.9884881 -0.4742346), wk = 0.0011574 k( 299) = ( 0.1666667 -0.9884881 -0.3286599), wk = 0.0011574 k( 300) = ( 0.1666667 -0.9884881 -0.1830853), wk = 0.0011574 k( 301) = ( 0.1666667 -0.9884881 -0.0375107), wk = 0.0011574 k( 302) = ( 0.1666667 -0.9884881 0.1080639), wk = 0.0011574 k( 303) = ( 0.1666667 -0.8574492 0.1902289), wk = 0.0011574 k( 304) = ( 0.1666667 -0.8574492 0.3358036), wk = 0.0011574 k( 305) = ( 0.1666667 -0.8574492 0.4813782), wk = 0.0011574 k( 306) = ( 0.1666667 -0.8574492 0.6269528), wk = 0.0011574 k( 307) = ( 0.1666667 -0.8574492 0.7725275), wk = 0.0011574 k( 308) = ( 0.1666667 -0.8574492 0.9181021), wk = 0.0011574 k( 309) = ( 0.1666667 -0.8574492 -0.6832188), wk = 0.0011574 k( 310) = ( 0.1666667 -0.8574492 -0.5376442), wk = 0.0011574 k( 311) = ( 0.1666667 -0.8574492 -0.3920696), wk = 0.0011574 k( 312) = ( 0.1666667 -0.8574492 -0.2464950), wk = 0.0011574 k( 313) = ( 0.1666667 -0.8574492 -0.1009203), wk = 0.0011574 k( 314) = ( 0.1666667 -0.8574492 0.0446543), wk = 0.0011574 k( 315) = ( 0.1666667 -0.7264103 0.1268193), wk = 0.0011574 k( 316) = ( 0.1666667 -0.7264103 0.2723939), wk = 0.0011574 k( 317) = ( 0.1666667 -0.7264103 0.4179685), wk = 0.0011574 k( 318) = ( 0.1666667 -0.7264103 0.5635432), wk = 0.0011574 k( 319) = ( 0.1666667 -0.7264103 0.7091178), wk = 0.0011574 k( 320) = ( 0.1666667 -0.7264103 0.8546924), wk = 0.0011574 k( 321) = ( 0.1666667 -0.7264103 -0.7466285), wk = 0.0011574 k( 322) = ( 0.1666667 -0.7264103 -0.6010539), wk = 0.0011574 k( 323) = ( 0.1666667 -0.7264103 -0.4554792), wk = 0.0011574 k( 324) = ( 0.1666667 -0.7264103 -0.3099046), wk = 0.0011574 k( 325) = ( 0.1666667 -0.7264103 -0.1643300), wk = 0.0011574 k( 326) = ( 0.1666667 -0.7264103 -0.0187553), wk = 0.0011574 k( 327) = ( 0.1666667 -0.5953714 0.0634096), wk = 0.0011574 k( 328) = ( 0.1666667 -0.5953714 0.2089843), wk = 0.0011574 k( 329) = ( 0.1666667 -0.5953714 0.3545589), wk = 0.0011574 k( 330) = ( 0.1666667 -0.5953714 0.5001335), wk = 0.0011574 k( 331) = ( 0.1666667 -0.5953714 0.6457082), wk = 0.0011574 k( 332) = ( 0.1666667 -0.5953714 0.7912828), wk = 0.0011574 k( 333) = ( 0.1666667 -0.5953714 -0.8100381), wk = 0.0011574 k( 334) = ( 0.1666667 -0.5953714 -0.6644635), wk = 0.0011574 k( 335) = ( 0.1666667 -0.5953714 -0.5188889), wk = 0.0011574 k( 336) = ( 0.1666667 -0.5953714 -0.3733142), wk = 0.0011574 k( 337) = ( 0.1666667 -0.5953714 -0.2277396), wk = 0.0011574 k( 338) = ( 0.1666667 -0.5953714 -0.0821650), wk = 0.0011574 k( 339) = ( 0.1666667 -0.4643325 -0.0000000), wk = 0.0011574 k( 340) = ( 0.1666667 -0.4643325 0.1455746), wk = 0.0011574 k( 341) = ( 0.1666667 -0.4643325 0.2911493), wk = 0.0011574 k( 342) = ( 0.1666667 -0.4643325 0.4367239), wk = 0.0011574 k( 343) = ( 0.1666667 -0.4643325 0.5822985), wk = 0.0011574 k( 344) = ( 0.1666667 -0.4643325 0.7278731), wk = 0.0011574 k( 345) = ( 0.1666667 -0.4643325 -0.8734478), wk = 0.0011574 k( 346) = ( 0.1666667 -0.4643325 -0.7278731), wk = 0.0011574 k( 347) = ( 0.1666667 -0.4643325 -0.5822985), wk = 0.0011574 k( 348) = ( 0.1666667 -0.4643325 -0.4367239), wk = 0.0011574 k( 349) = ( 0.1666667 -0.4643325 -0.2911493), wk = 0.0011574 k( 350) = ( 0.1666667 -0.4643325 -0.1455746), wk = 0.0011574 k( 351) = ( 0.1666667 -0.3332936 -0.0634096), wk = 0.0011574 k( 352) = ( 0.1666667 -0.3332936 0.0821650), wk = 0.0011574 k( 353) = ( 0.1666667 -0.3332936 0.2277396), wk = 0.0011574 k( 354) = ( 0.1666667 -0.3332936 0.3733142), wk = 0.0011574 k( 355) = ( 0.1666667 -0.3332936 0.5188889), wk = 0.0011574 k( 356) = ( 0.1666667 -0.3332936 0.6644635), wk = 0.0011574 k( 357) = ( 0.1666667 -0.3332936 -0.9368574), wk = 0.0011574 k( 358) = ( 0.1666667 -0.3332936 -0.7912828), wk = 0.0011574 k( 359) = ( 0.1666667 -0.3332936 -0.6457082), wk = 0.0011574 k( 360) = ( 0.1666667 -0.3332936 -0.5001335), wk = 0.0011574 k( 361) = ( 0.1666667 -0.3332936 -0.3545589), wk = 0.0011574 k( 362) = ( 0.1666667 -0.3332936 -0.2089843), wk = 0.0011574 k( 363) = ( 0.2500000 -0.3033821 -0.1902289), wk = 0.0011574 k( 364) = ( 0.2500000 -0.3033821 -0.0446543), wk = 0.0011574 k( 365) = ( 0.2500000 -0.3033821 0.1009203), wk = 0.0011574 k( 366) = ( 0.2500000 -0.3033821 0.2464950), wk = 0.0011574 k( 367) = ( 0.2500000 -0.3033821 0.3920696), wk = 0.0011574 k( 368) = ( 0.2500000 -0.3033821 0.5376442), wk = 0.0011574 k( 369) = ( 0.2500000 -0.3033821 -1.0636767), wk = 0.0011574 k( 370) = ( 0.2500000 -0.3033821 -0.9181021), wk = 0.0011574 k( 371) = ( 0.2500000 -0.3033821 -0.7725275), wk = 0.0011574 k( 372) = ( 0.2500000 -0.3033821 -0.6269528), wk = 0.0011574 k( 373) = ( 0.2500000 -0.3033821 -0.4813782), wk = 0.0011574 k( 374) = ( 0.2500000 -0.3033821 -0.3358036), wk = 0.0011574 k( 375) = ( 0.2500000 -0.1723432 -0.2536386), wk = 0.0011574 k( 376) = ( 0.2500000 -0.1723432 -0.1080639), wk = 0.0011574 k( 377) = ( 0.2500000 -0.1723432 0.0375107), wk = 0.0011574 k( 378) = ( 0.2500000 -0.1723432 0.1830853), wk = 0.0011574 k( 379) = ( 0.2500000 -0.1723432 0.3286599), wk = 0.0011574 k( 380) = ( 0.2500000 -0.1723432 0.4742346), wk = 0.0011574 k( 381) = ( 0.2500000 -0.1723432 -1.1270864), wk = 0.0011574 k( 382) = ( 0.2500000 -0.1723432 -0.9815117), wk = 0.0011574 k( 383) = ( 0.2500000 -0.1723432 -0.8359371), wk = 0.0011574 k( 384) = ( 0.2500000 -0.1723432 -0.6903625), wk = 0.0011574 k( 385) = ( 0.2500000 -0.1723432 -0.5447878), wk = 0.0011574 k( 386) = ( 0.2500000 -0.1723432 -0.3992132), wk = 0.0011574 k( 387) = ( 0.2500000 -0.0413043 -0.3170482), wk = 0.0011574 k( 388) = ( 0.2500000 -0.0413043 -0.1714736), wk = 0.0011574 k( 389) = ( 0.2500000 -0.0413043 -0.0258990), wk = 0.0011574 k( 390) = ( 0.2500000 -0.0413043 0.1196757), wk = 0.0011574 k( 391) = ( 0.2500000 -0.0413043 0.2652503), wk = 0.0011574 k( 392) = ( 0.2500000 -0.0413043 0.4108249), wk = 0.0011574 k( 393) = ( 0.2500000 -0.0413043 -1.1904960), wk = 0.0011574 k( 394) = ( 0.2500000 -0.0413043 -1.0449214), wk = 0.0011574 k( 395) = ( 0.2500000 -0.0413043 -0.8993467), wk = 0.0011574 k( 396) = ( 0.2500000 -0.0413043 -0.7537721), wk = 0.0011574 k( 397) = ( 0.2500000 -0.0413043 -0.6081975), wk = 0.0011574 k( 398) = ( 0.2500000 -0.0413043 -0.4626228), wk = 0.0011574 k( 399) = ( 0.2500000 0.0897345 -0.3804579), wk = 0.0011574 k( 400) = ( 0.2500000 0.0897345 -0.2348832), wk = 0.0011574 k( 401) = ( 0.2500000 0.0897345 -0.0893086), wk = 0.0011574 k( 402) = ( 0.2500000 0.0897345 0.0562660), wk = 0.0011574 k( 403) = ( 0.2500000 0.0897345 0.2018407), wk = 0.0011574 k( 404) = ( 0.2500000 0.0897345 0.3474153), wk = 0.0011574 k( 405) = ( 0.2500000 0.0897345 -1.2539056), wk = 0.0011574 k( 406) = ( 0.2500000 0.0897345 -1.1083310), wk = 0.0011574 k( 407) = ( 0.2500000 0.0897345 -0.9627564), wk = 0.0011574 k( 408) = ( 0.2500000 0.0897345 -0.8171818), wk = 0.0011574 k( 409) = ( 0.2500000 0.0897345 -0.6716071), wk = 0.0011574 k( 410) = ( 0.2500000 0.0897345 -0.5260325), wk = 0.0011574 k( 411) = ( 0.2500000 0.2207734 -0.4438675), wk = 0.0011574 k( 412) = ( 0.2500000 0.2207734 -0.2982929), wk = 0.0011574 k( 413) = ( 0.2500000 0.2207734 -0.1527182), wk = 0.0011574 k( 414) = ( 0.2500000 0.2207734 -0.0071436), wk = 0.0011574 k( 415) = ( 0.2500000 0.2207734 0.1384310), wk = 0.0011574 k( 416) = ( 0.2500000 0.2207734 0.2840056), wk = 0.0011574 k( 417) = ( 0.2500000 0.2207734 -1.3173153), wk = 0.0011574 k( 418) = ( 0.2500000 0.2207734 -1.1717407), wk = 0.0011574 k( 419) = ( 0.2500000 0.2207734 -1.0261660), wk = 0.0011574 k( 420) = ( 0.2500000 0.2207734 -0.8805914), wk = 0.0011574 k( 421) = ( 0.2500000 0.2207734 -0.7350168), wk = 0.0011574 k( 422) = ( 0.2500000 0.2207734 -0.5894421), wk = 0.0011574 k( 423) = ( 0.2500000 0.3518123 -0.5072772), wk = 0.0011574 k( 424) = ( 0.2500000 0.3518123 -0.3617025), wk = 0.0011574 k( 425) = ( 0.2500000 0.3518123 -0.2161279), wk = 0.0011574 k( 426) = ( 0.2500000 0.3518123 -0.0705533), wk = 0.0011574 k( 427) = ( 0.2500000 0.3518123 0.0750214), wk = 0.0011574 k( 428) = ( 0.2500000 0.3518123 0.2205960), wk = 0.0011574 k( 429) = ( 0.2500000 0.3518123 -1.3807249), wk = 0.0011574 k( 430) = ( 0.2500000 0.3518123 -1.2351503), wk = 0.0011574 k( 431) = ( 0.2500000 0.3518123 -1.0895757), wk = 0.0011574 k( 432) = ( 0.2500000 0.3518123 -0.9440010), wk = 0.0011574 k( 433) = ( 0.2500000 0.3518123 -0.7984264), wk = 0.0011574 k( 434) = ( 0.2500000 0.3518123 -0.6528518), wk = 0.0011574 k( 435) = ( 0.2500000 -1.0896154 0.1902289), wk = 0.0011574 k( 436) = ( 0.2500000 -1.0896154 0.3358036), wk = 0.0011574 k( 437) = ( 0.2500000 -1.0896154 0.4813782), wk = 0.0011574 k( 438) = ( 0.2500000 -1.0896154 0.6269528), wk = 0.0011574 k( 439) = ( 0.2500000 -1.0896154 0.7725275), wk = 0.0011574 k( 440) = ( 0.2500000 -1.0896154 0.9181021), wk = 0.0011574 k( 441) = ( 0.2500000 -1.0896154 -0.6832188), wk = 0.0011574 k( 442) = ( 0.2500000 -1.0896154 -0.5376442), wk = 0.0011574 k( 443) = ( 0.2500000 -1.0896154 -0.3920696), wk = 0.0011574 k( 444) = ( 0.2500000 -1.0896154 -0.2464950), wk = 0.0011574 k( 445) = ( 0.2500000 -1.0896154 -0.1009203), wk = 0.0011574 k( 446) = ( 0.2500000 -1.0896154 0.0446543), wk = 0.0011574 k( 447) = ( 0.2500000 -0.9585766 0.1268193), wk = 0.0011574 k( 448) = ( 0.2500000 -0.9585766 0.2723939), wk = 0.0011574 k( 449) = ( 0.2500000 -0.9585766 0.4179685), wk = 0.0011574 k( 450) = ( 0.2500000 -0.9585766 0.5635432), wk = 0.0011574 k( 451) = ( 0.2500000 -0.9585766 0.7091178), wk = 0.0011574 k( 452) = ( 0.2500000 -0.9585766 0.8546924), wk = 0.0011574 k( 453) = ( 0.2500000 -0.9585766 -0.7466285), wk = 0.0011574 k( 454) = ( 0.2500000 -0.9585766 -0.6010539), wk = 0.0011574 k( 455) = ( 0.2500000 -0.9585766 -0.4554792), wk = 0.0011574 k( 456) = ( 0.2500000 -0.9585766 -0.3099046), wk = 0.0011574 k( 457) = ( 0.2500000 -0.9585766 -0.1643300), wk = 0.0011574 k( 458) = ( 0.2500000 -0.9585766 -0.0187553), wk = 0.0011574 k( 459) = ( 0.2500000 -0.8275377 0.0634096), wk = 0.0011574 k( 460) = ( 0.2500000 -0.8275377 0.2089843), wk = 0.0011574 k( 461) = ( 0.2500000 -0.8275377 0.3545589), wk = 0.0011574 k( 462) = ( 0.2500000 -0.8275377 0.5001335), wk = 0.0011574 k( 463) = ( 0.2500000 -0.8275377 0.6457082), wk = 0.0011574 k( 464) = ( 0.2500000 -0.8275377 0.7912828), wk = 0.0011574 k( 465) = ( 0.2500000 -0.8275377 -0.8100381), wk = 0.0011574 k( 466) = ( 0.2500000 -0.8275377 -0.6644635), wk = 0.0011574 k( 467) = ( 0.2500000 -0.8275377 -0.5188889), wk = 0.0011574 k( 468) = ( 0.2500000 -0.8275377 -0.3733142), wk = 0.0011574 k( 469) = ( 0.2500000 -0.8275377 -0.2277396), wk = 0.0011574 k( 470) = ( 0.2500000 -0.8275377 -0.0821650), wk = 0.0011574 k( 471) = ( 0.2500000 -0.6964988 0.0000000), wk = 0.0011574 k( 472) = ( 0.2500000 -0.6964988 0.1455746), wk = 0.0011574 k( 473) = ( 0.2500000 -0.6964988 0.2911493), wk = 0.0011574 k( 474) = ( 0.2500000 -0.6964988 0.4367239), wk = 0.0011574 k( 475) = ( 0.2500000 -0.6964988 0.5822985), wk = 0.0011574 k( 476) = ( 0.2500000 -0.6964988 0.7278731), wk = 0.0011574 k( 477) = ( 0.2500000 -0.6964988 -0.8734478), wk = 0.0011574 k( 478) = ( 0.2500000 -0.6964988 -0.7278731), wk = 0.0011574 k( 479) = ( 0.2500000 -0.6964988 -0.5822985), wk = 0.0011574 k( 480) = ( 0.2500000 -0.6964988 -0.4367239), wk = 0.0011574 k( 481) = ( 0.2500000 -0.6964988 -0.2911493), wk = 0.0011574 k( 482) = ( 0.2500000 -0.6964988 -0.1455746), wk = 0.0011574 k( 483) = ( 0.2500000 -0.5654599 -0.0634096), wk = 0.0011574 k( 484) = ( 0.2500000 -0.5654599 0.0821650), wk = 0.0011574 k( 485) = ( 0.2500000 -0.5654599 0.2277396), wk = 0.0011574 k( 486) = ( 0.2500000 -0.5654599 0.3733142), wk = 0.0011574 k( 487) = ( 0.2500000 -0.5654599 0.5188889), wk = 0.0011574 k( 488) = ( 0.2500000 -0.5654599 0.6644635), wk = 0.0011574 k( 489) = ( 0.2500000 -0.5654599 -0.9368574), wk = 0.0011574 k( 490) = ( 0.2500000 -0.5654599 -0.7912828), wk = 0.0011574 k( 491) = ( 0.2500000 -0.5654599 -0.6457082), wk = 0.0011574 k( 492) = ( 0.2500000 -0.5654599 -0.5001335), wk = 0.0011574 k( 493) = ( 0.2500000 -0.5654599 -0.3545589), wk = 0.0011574 k( 494) = ( 0.2500000 -0.5654599 -0.2089843), wk = 0.0011574 k( 495) = ( 0.2500000 -0.4344210 -0.1268193), wk = 0.0011574 k( 496) = ( 0.2500000 -0.4344210 0.0187553), wk = 0.0011574 k( 497) = ( 0.2500000 -0.4344210 0.1643300), wk = 0.0011574 k( 498) = ( 0.2500000 -0.4344210 0.3099046), wk = 0.0011574 k( 499) = ( 0.2500000 -0.4344210 0.4554792), wk = 0.0011574 k( 500) = ( 0.2500000 -0.4344210 0.6010539), wk = 0.0011574 k( 501) = ( 0.2500000 -0.4344210 -1.0002671), wk = 0.0011574 k( 502) = ( 0.2500000 -0.4344210 -0.8546924), wk = 0.0011574 k( 503) = ( 0.2500000 -0.4344210 -0.7091178), wk = 0.0011574 k( 504) = ( 0.2500000 -0.4344210 -0.5635432), wk = 0.0011574 k( 505) = ( 0.2500000 -0.4344210 -0.4179685), wk = 0.0011574 k( 506) = ( 0.2500000 -0.4344210 -0.2723939), wk = 0.0011574 k( 507) = ( 0.3333333 -0.4045095 -0.2536386), wk = 0.0011574 k( 508) = ( 0.3333333 -0.4045095 -0.1080639), wk = 0.0011574 k( 509) = ( 0.3333333 -0.4045095 0.0375107), wk = 0.0011574 k( 510) = ( 0.3333333 -0.4045095 0.1830853), wk = 0.0011574 k( 511) = ( 0.3333333 -0.4045095 0.3286599), wk = 0.0011574 k( 512) = ( 0.3333333 -0.4045095 0.4742346), wk = 0.0011574 k( 513) = ( 0.3333333 -0.4045095 -1.1270864), wk = 0.0011574 k( 514) = ( 0.3333333 -0.4045095 -0.9815117), wk = 0.0011574 k( 515) = ( 0.3333333 -0.4045095 -0.8359371), wk = 0.0011574 k( 516) = ( 0.3333333 -0.4045095 -0.6903625), wk = 0.0011574 k( 517) = ( 0.3333333 -0.4045095 -0.5447878), wk = 0.0011574 k( 518) = ( 0.3333333 -0.4045095 -0.3992132), wk = 0.0011574 k( 519) = ( 0.3333333 -0.2734706 -0.3170482), wk = 0.0011574 k( 520) = ( 0.3333333 -0.2734706 -0.1714736), wk = 0.0011574 k( 521) = ( 0.3333333 -0.2734706 -0.0258990), wk = 0.0011574 k( 522) = ( 0.3333333 -0.2734706 0.1196757), wk = 0.0011574 k( 523) = ( 0.3333333 -0.2734706 0.2652503), wk = 0.0011574 k( 524) = ( 0.3333333 -0.2734706 0.4108249), wk = 0.0011574 k( 525) = ( 0.3333333 -0.2734706 -1.1904960), wk = 0.0011574 k( 526) = ( 0.3333333 -0.2734706 -1.0449214), wk = 0.0011574 k( 527) = ( 0.3333333 -0.2734706 -0.8993467), wk = 0.0011574 k( 528) = ( 0.3333333 -0.2734706 -0.7537721), wk = 0.0011574 k( 529) = ( 0.3333333 -0.2734706 -0.6081975), wk = 0.0011574 k( 530) = ( 0.3333333 -0.2734706 -0.4626228), wk = 0.0011574 k( 531) = ( 0.3333333 -0.1424317 -0.3804579), wk = 0.0011574 k( 532) = ( 0.3333333 -0.1424317 -0.2348832), wk = 0.0011574 k( 533) = ( 0.3333333 -0.1424317 -0.0893086), wk = 0.0011574 k( 534) = ( 0.3333333 -0.1424317 0.0562660), wk = 0.0011574 k( 535) = ( 0.3333333 -0.1424317 0.2018407), wk = 0.0011574 k( 536) = ( 0.3333333 -0.1424317 0.3474153), wk = 0.0011574 k( 537) = ( 0.3333333 -0.1424317 -1.2539056), wk = 0.0011574 k( 538) = ( 0.3333333 -0.1424317 -1.1083310), wk = 0.0011574 k( 539) = ( 0.3333333 -0.1424317 -0.9627564), wk = 0.0011574 k( 540) = ( 0.3333333 -0.1424317 -0.8171818), wk = 0.0011574 k( 541) = ( 0.3333333 -0.1424317 -0.6716071), wk = 0.0011574 k( 542) = ( 0.3333333 -0.1424317 -0.5260325), wk = 0.0011574 k( 543) = ( 0.3333333 -0.0113928 -0.4438675), wk = 0.0011574 k( 544) = ( 0.3333333 -0.0113928 -0.2982929), wk = 0.0011574 k( 545) = ( 0.3333333 -0.0113928 -0.1527182), wk = 0.0011574 k( 546) = ( 0.3333333 -0.0113928 -0.0071436), wk = 0.0011574 k( 547) = ( 0.3333333 -0.0113928 0.1384310), wk = 0.0011574 k( 548) = ( 0.3333333 -0.0113928 0.2840056), wk = 0.0011574 k( 549) = ( 0.3333333 -0.0113928 -1.3173153), wk = 0.0011574 k( 550) = ( 0.3333333 -0.0113928 -1.1717407), wk = 0.0011574 k( 551) = ( 0.3333333 -0.0113928 -1.0261660), wk = 0.0011574 k( 552) = ( 0.3333333 -0.0113928 -0.8805914), wk = 0.0011574 k( 553) = ( 0.3333333 -0.0113928 -0.7350168), wk = 0.0011574 k( 554) = ( 0.3333333 -0.0113928 -0.5894421), wk = 0.0011574 k( 555) = ( 0.3333333 0.1196461 -0.5072772), wk = 0.0011574 k( 556) = ( 0.3333333 0.1196461 -0.3617025), wk = 0.0011574 k( 557) = ( 0.3333333 0.1196461 -0.2161279), wk = 0.0011574 k( 558) = ( 0.3333333 0.1196461 -0.0705533), wk = 0.0011574 k( 559) = ( 0.3333333 0.1196461 0.0750214), wk = 0.0011574 k( 560) = ( 0.3333333 0.1196461 0.2205960), wk = 0.0011574 k( 561) = ( 0.3333333 0.1196461 -1.3807249), wk = 0.0011574 k( 562) = ( 0.3333333 0.1196461 -1.2351503), wk = 0.0011574 k( 563) = ( 0.3333333 0.1196461 -1.0895757), wk = 0.0011574 k( 564) = ( 0.3333333 0.1196461 -0.9440010), wk = 0.0011574 k( 565) = ( 0.3333333 0.1196461 -0.7984264), wk = 0.0011574 k( 566) = ( 0.3333333 0.1196461 -0.6528518), wk = 0.0011574 k( 567) = ( 0.3333333 0.2506849 -0.5706868), wk = 0.0011574 k( 568) = ( 0.3333333 0.2506849 -0.4251122), wk = 0.0011574 k( 569) = ( 0.3333333 0.2506849 -0.2795375), wk = 0.0011574 k( 570) = ( 0.3333333 0.2506849 -0.1339629), wk = 0.0011574 k( 571) = ( 0.3333333 0.2506849 0.0116117), wk = 0.0011574 k( 572) = ( 0.3333333 0.2506849 0.1571864), wk = 0.0011574 k( 573) = ( 0.3333333 0.2506849 -1.4441346), wk = 0.0011574 k( 574) = ( 0.3333333 0.2506849 -1.2985599), wk = 0.0011574 k( 575) = ( 0.3333333 0.2506849 -1.1529853), wk = 0.0011574 k( 576) = ( 0.3333333 0.2506849 -1.0074107), wk = 0.0011574 k( 577) = ( 0.3333333 0.2506849 -0.8618361), wk = 0.0011574 k( 578) = ( 0.3333333 0.2506849 -0.7162614), wk = 0.0011574 k( 579) = ( 0.3333333 -1.1907428 0.1268193), wk = 0.0011574 k( 580) = ( 0.3333333 -1.1907428 0.2723939), wk = 0.0011574 k( 581) = ( 0.3333333 -1.1907428 0.4179685), wk = 0.0011574 k( 582) = ( 0.3333333 -1.1907428 0.5635432), wk = 0.0011574 k( 583) = ( 0.3333333 -1.1907428 0.7091178), wk = 0.0011574 k( 584) = ( 0.3333333 -1.1907428 0.8546924), wk = 0.0011574 k( 585) = ( 0.3333333 -1.1907428 -0.7466285), wk = 0.0011574 k( 586) = ( 0.3333333 -1.1907428 -0.6010539), wk = 0.0011574 k( 587) = ( 0.3333333 -1.1907428 -0.4554792), wk = 0.0011574 k( 588) = ( 0.3333333 -1.1907428 -0.3099046), wk = 0.0011574 k( 589) = ( 0.3333333 -1.1907428 -0.1643300), wk = 0.0011574 k( 590) = ( 0.3333333 -1.1907428 -0.0187553), wk = 0.0011574 k( 591) = ( 0.3333333 -1.0597039 0.0634096), wk = 0.0011574 k( 592) = ( 0.3333333 -1.0597039 0.2089843), wk = 0.0011574 k( 593) = ( 0.3333333 -1.0597039 0.3545589), wk = 0.0011574 k( 594) = ( 0.3333333 -1.0597039 0.5001335), wk = 0.0011574 k( 595) = ( 0.3333333 -1.0597039 0.6457082), wk = 0.0011574 k( 596) = ( 0.3333333 -1.0597039 0.7912828), wk = 0.0011574 k( 597) = ( 0.3333333 -1.0597039 -0.8100381), wk = 0.0011574 k( 598) = ( 0.3333333 -1.0597039 -0.6644635), wk = 0.0011574 k( 599) = ( 0.3333333 -1.0597039 -0.5188889), wk = 0.0011574 k( 600) = ( 0.3333333 -1.0597039 -0.3733142), wk = 0.0011574 k( 601) = ( 0.3333333 -1.0597039 -0.2277396), wk = 0.0011574 k( 602) = ( 0.3333333 -1.0597039 -0.0821650), wk = 0.0011574 k( 603) = ( 0.3333333 -0.9286650 0.0000000), wk = 0.0011574 k( 604) = ( 0.3333333 -0.9286650 0.1455746), wk = 0.0011574 k( 605) = ( 0.3333333 -0.9286650 0.2911493), wk = 0.0011574 k( 606) = ( 0.3333333 -0.9286650 0.4367239), wk = 0.0011574 k( 607) = ( 0.3333333 -0.9286650 0.5822985), wk = 0.0011574 k( 608) = ( 0.3333333 -0.9286650 0.7278731), wk = 0.0011574 k( 609) = ( 0.3333333 -0.9286650 -0.8734478), wk = 0.0011574 k( 610) = ( 0.3333333 -0.9286650 -0.7278731), wk = 0.0011574 k( 611) = ( 0.3333333 -0.9286650 -0.5822985), wk = 0.0011574 k( 612) = ( 0.3333333 -0.9286650 -0.4367239), wk = 0.0011574 k( 613) = ( 0.3333333 -0.9286650 -0.2911493), wk = 0.0011574 k( 614) = ( 0.3333333 -0.9286650 -0.1455746), wk = 0.0011574 k( 615) = ( 0.3333333 -0.7976262 -0.0634096), wk = 0.0011574 k( 616) = ( 0.3333333 -0.7976262 0.0821650), wk = 0.0011574 k( 617) = ( 0.3333333 -0.7976262 0.2277396), wk = 0.0011574 k( 618) = ( 0.3333333 -0.7976262 0.3733142), wk = 0.0011574 k( 619) = ( 0.3333333 -0.7976262 0.5188889), wk = 0.0011574 k( 620) = ( 0.3333333 -0.7976262 0.6644635), wk = 0.0011574 k( 621) = ( 0.3333333 -0.7976262 -0.9368574), wk = 0.0011574 k( 622) = ( 0.3333333 -0.7976262 -0.7912828), wk = 0.0011574 k( 623) = ( 0.3333333 -0.7976262 -0.6457082), wk = 0.0011574 k( 624) = ( 0.3333333 -0.7976262 -0.5001335), wk = 0.0011574 k( 625) = ( 0.3333333 -0.7976262 -0.3545589), wk = 0.0011574 k( 626) = ( 0.3333333 -0.7976262 -0.2089843), wk = 0.0011574 k( 627) = ( 0.3333333 -0.6665873 -0.1268193), wk = 0.0011574 k( 628) = ( 0.3333333 -0.6665873 0.0187553), wk = 0.0011574 k( 629) = ( 0.3333333 -0.6665873 0.1643300), wk = 0.0011574 k( 630) = ( 0.3333333 -0.6665873 0.3099046), wk = 0.0011574 k( 631) = ( 0.3333333 -0.6665873 0.4554792), wk = 0.0011574 k( 632) = ( 0.3333333 -0.6665873 0.6010539), wk = 0.0011574 k( 633) = ( 0.3333333 -0.6665873 -1.0002671), wk = 0.0011574 k( 634) = ( 0.3333333 -0.6665873 -0.8546924), wk = 0.0011574 k( 635) = ( 0.3333333 -0.6665873 -0.7091178), wk = 0.0011574 k( 636) = ( 0.3333333 -0.6665873 -0.5635432), wk = 0.0011574 k( 637) = ( 0.3333333 -0.6665873 -0.4179685), wk = 0.0011574 k( 638) = ( 0.3333333 -0.6665873 -0.2723939), wk = 0.0011574 k( 639) = ( 0.3333333 -0.5355484 -0.1902289), wk = 0.0011574 k( 640) = ( 0.3333333 -0.5355484 -0.0446543), wk = 0.0011574 k( 641) = ( 0.3333333 -0.5355484 0.1009203), wk = 0.0011574 k( 642) = ( 0.3333333 -0.5355484 0.2464950), wk = 0.0011574 k( 643) = ( 0.3333333 -0.5355484 0.3920696), wk = 0.0011574 k( 644) = ( 0.3333333 -0.5355484 0.5376442), wk = 0.0011574 k( 645) = ( 0.3333333 -0.5355484 -1.0636767), wk = 0.0011574 k( 646) = ( 0.3333333 -0.5355484 -0.9181021), wk = 0.0011574 k( 647) = ( 0.3333333 -0.5355484 -0.7725275), wk = 0.0011574 k( 648) = ( 0.3333333 -0.5355484 -0.6269528), wk = 0.0011574 k( 649) = ( 0.3333333 -0.5355484 -0.4813782), wk = 0.0011574 k( 650) = ( 0.3333333 -0.5355484 -0.3358036), wk = 0.0011574 k( 651) = ( 0.4166667 -0.5056369 -0.3170482), wk = 0.0011574 k( 652) = ( 0.4166667 -0.5056369 -0.1714736), wk = 0.0011574 k( 653) = ( 0.4166667 -0.5056369 -0.0258990), wk = 0.0011574 k( 654) = ( 0.4166667 -0.5056369 0.1196757), wk = 0.0011574 k( 655) = ( 0.4166667 -0.5056369 0.2652503), wk = 0.0011574 k( 656) = ( 0.4166667 -0.5056369 0.4108249), wk = 0.0011574 k( 657) = ( 0.4166667 -0.5056369 -1.1904960), wk = 0.0011574 k( 658) = ( 0.4166667 -0.5056369 -1.0449214), wk = 0.0011574 k( 659) = ( 0.4166667 -0.5056369 -0.8993467), wk = 0.0011574 k( 660) = ( 0.4166667 -0.5056369 -0.7537721), wk = 0.0011574 k( 661) = ( 0.4166667 -0.5056369 -0.6081975), wk = 0.0011574 k( 662) = ( 0.4166667 -0.5056369 -0.4626228), wk = 0.0011574 k( 663) = ( 0.4166667 -0.3745980 -0.3804579), wk = 0.0011574 k( 664) = ( 0.4166667 -0.3745980 -0.2348832), wk = 0.0011574 k( 665) = ( 0.4166667 -0.3745980 -0.0893086), wk = 0.0011574 k( 666) = ( 0.4166667 -0.3745980 0.0562660), wk = 0.0011574 k( 667) = ( 0.4166667 -0.3745980 0.2018407), wk = 0.0011574 k( 668) = ( 0.4166667 -0.3745980 0.3474153), wk = 0.0011574 k( 669) = ( 0.4166667 -0.3745980 -1.2539056), wk = 0.0011574 k( 670) = ( 0.4166667 -0.3745980 -1.1083310), wk = 0.0011574 k( 671) = ( 0.4166667 -0.3745980 -0.9627564), wk = 0.0011574 k( 672) = ( 0.4166667 -0.3745980 -0.8171818), wk = 0.0011574 k( 673) = ( 0.4166667 -0.3745980 -0.6716071), wk = 0.0011574 k( 674) = ( 0.4166667 -0.3745980 -0.5260325), wk = 0.0011574 k( 675) = ( 0.4166667 -0.2435591 -0.4438675), wk = 0.0011574 k( 676) = ( 0.4166667 -0.2435591 -0.2982929), wk = 0.0011574 k( 677) = ( 0.4166667 -0.2435591 -0.1527182), wk = 0.0011574 k( 678) = ( 0.4166667 -0.2435591 -0.0071436), wk = 0.0011574 k( 679) = ( 0.4166667 -0.2435591 0.1384310), wk = 0.0011574 k( 680) = ( 0.4166667 -0.2435591 0.2840056), wk = 0.0011574 k( 681) = ( 0.4166667 -0.2435591 -1.3173153), wk = 0.0011574 k( 682) = ( 0.4166667 -0.2435591 -1.1717407), wk = 0.0011574 k( 683) = ( 0.4166667 -0.2435591 -1.0261660), wk = 0.0011574 k( 684) = ( 0.4166667 -0.2435591 -0.8805914), wk = 0.0011574 k( 685) = ( 0.4166667 -0.2435591 -0.7350168), wk = 0.0011574 k( 686) = ( 0.4166667 -0.2435591 -0.5894421), wk = 0.0011574 k( 687) = ( 0.4166667 -0.1125202 -0.5072772), wk = 0.0011574 k( 688) = ( 0.4166667 -0.1125202 -0.3617025), wk = 0.0011574 k( 689) = ( 0.4166667 -0.1125202 -0.2161279), wk = 0.0011574 k( 690) = ( 0.4166667 -0.1125202 -0.0705533), wk = 0.0011574 k( 691) = ( 0.4166667 -0.1125202 0.0750214), wk = 0.0011574 k( 692) = ( 0.4166667 -0.1125202 0.2205960), wk = 0.0011574 k( 693) = ( 0.4166667 -0.1125202 -1.3807249), wk = 0.0011574 k( 694) = ( 0.4166667 -0.1125202 -1.2351503), wk = 0.0011574 k( 695) = ( 0.4166667 -0.1125202 -1.0895757), wk = 0.0011574 k( 696) = ( 0.4166667 -0.1125202 -0.9440010), wk = 0.0011574 k( 697) = ( 0.4166667 -0.1125202 -0.7984264), wk = 0.0011574 k( 698) = ( 0.4166667 -0.1125202 -0.6528518), wk = 0.0011574 k( 699) = ( 0.4166667 0.0185187 -0.5706868), wk = 0.0011574 k( 700) = ( 0.4166667 0.0185187 -0.4251122), wk = 0.0011574 k( 701) = ( 0.4166667 0.0185187 -0.2795375), wk = 0.0011574 k( 702) = ( 0.4166667 0.0185187 -0.1339629), wk = 0.0011574 k( 703) = ( 0.4166667 0.0185187 0.0116117), wk = 0.0011574 k( 704) = ( 0.4166667 0.0185187 0.1571864), wk = 0.0011574 k( 705) = ( 0.4166667 0.0185187 -1.4441346), wk = 0.0011574 k( 706) = ( 0.4166667 0.0185187 -1.2985599), wk = 0.0011574 k( 707) = ( 0.4166667 0.0185187 -1.1529853), wk = 0.0011574 k( 708) = ( 0.4166667 0.0185187 -1.0074107), wk = 0.0011574 k( 709) = ( 0.4166667 0.0185187 -0.8618361), wk = 0.0011574 k( 710) = ( 0.4166667 0.0185187 -0.7162614), wk = 0.0011574 k( 711) = ( 0.4166667 0.1495576 -0.6340964), wk = 0.0011574 k( 712) = ( 0.4166667 0.1495576 -0.4885218), wk = 0.0011574 k( 713) = ( 0.4166667 0.1495576 -0.3429472), wk = 0.0011574 k( 714) = ( 0.4166667 0.1495576 -0.1973725), wk = 0.0011574 k( 715) = ( 0.4166667 0.1495576 -0.0517979), wk = 0.0011574 k( 716) = ( 0.4166667 0.1495576 0.0937767), wk = 0.0011574 k( 717) = ( 0.4166667 0.1495576 -1.5075442), wk = 0.0011574 k( 718) = ( 0.4166667 0.1495576 -1.3619696), wk = 0.0011574 k( 719) = ( 0.4166667 0.1495576 -1.2163950), wk = 0.0011574 k( 720) = ( 0.4166667 0.1495576 -1.0708203), wk = 0.0011574 k( 721) = ( 0.4166667 0.1495576 -0.9252457), wk = 0.0011574 k( 722) = ( 0.4166667 0.1495576 -0.7796711), wk = 0.0011574 k( 723) = ( 0.4166667 -1.2918702 0.0634096), wk = 0.0011574 k( 724) = ( 0.4166667 -1.2918702 0.2089843), wk = 0.0011574 k( 725) = ( 0.4166667 -1.2918702 0.3545589), wk = 0.0011574 k( 726) = ( 0.4166667 -1.2918702 0.5001335), wk = 0.0011574 k( 727) = ( 0.4166667 -1.2918702 0.6457082), wk = 0.0011574 k( 728) = ( 0.4166667 -1.2918702 0.7912828), wk = 0.0011574 k( 729) = ( 0.4166667 -1.2918702 -0.8100381), wk = 0.0011574 k( 730) = ( 0.4166667 -1.2918702 -0.6644635), wk = 0.0011574 k( 731) = ( 0.4166667 -1.2918702 -0.5188889), wk = 0.0011574 k( 732) = ( 0.4166667 -1.2918702 -0.3733142), wk = 0.0011574 k( 733) = ( 0.4166667 -1.2918702 -0.2277396), wk = 0.0011574 k( 734) = ( 0.4166667 -1.2918702 -0.0821650), wk = 0.0011574 k( 735) = ( 0.4166667 -1.1608313 -0.0000000), wk = 0.0011574 k( 736) = ( 0.4166667 -1.1608313 0.1455746), wk = 0.0011574 k( 737) = ( 0.4166667 -1.1608313 0.2911493), wk = 0.0011574 k( 738) = ( 0.4166667 -1.1608313 0.4367239), wk = 0.0011574 k( 739) = ( 0.4166667 -1.1608313 0.5822985), wk = 0.0011574 k( 740) = ( 0.4166667 -1.1608313 0.7278731), wk = 0.0011574 k( 741) = ( 0.4166667 -1.1608313 -0.8734478), wk = 0.0011574 k( 742) = ( 0.4166667 -1.1608313 -0.7278731), wk = 0.0011574 k( 743) = ( 0.4166667 -1.1608313 -0.5822985), wk = 0.0011574 k( 744) = ( 0.4166667 -1.1608313 -0.4367239), wk = 0.0011574 k( 745) = ( 0.4166667 -1.1608313 -0.2911493), wk = 0.0011574 k( 746) = ( 0.4166667 -1.1608313 -0.1455746), wk = 0.0011574 k( 747) = ( 0.4166667 -1.0297924 -0.0634096), wk = 0.0011574 k( 748) = ( 0.4166667 -1.0297924 0.0821650), wk = 0.0011574 k( 749) = ( 0.4166667 -1.0297924 0.2277396), wk = 0.0011574 k( 750) = ( 0.4166667 -1.0297924 0.3733142), wk = 0.0011574 k( 751) = ( 0.4166667 -1.0297924 0.5188889), wk = 0.0011574 k( 752) = ( 0.4166667 -1.0297924 0.6644635), wk = 0.0011574 k( 753) = ( 0.4166667 -1.0297924 -0.9368574), wk = 0.0011574 k( 754) = ( 0.4166667 -1.0297924 -0.7912828), wk = 0.0011574 k( 755) = ( 0.4166667 -1.0297924 -0.6457082), wk = 0.0011574 k( 756) = ( 0.4166667 -1.0297924 -0.5001335), wk = 0.0011574 k( 757) = ( 0.4166667 -1.0297924 -0.3545589), wk = 0.0011574 k( 758) = ( 0.4166667 -1.0297924 -0.2089843), wk = 0.0011574 k( 759) = ( 0.4166667 -0.8987535 -0.1268193), wk = 0.0011574 k( 760) = ( 0.4166667 -0.8987535 0.0187553), wk = 0.0011574 k( 761) = ( 0.4166667 -0.8987535 0.1643300), wk = 0.0011574 k( 762) = ( 0.4166667 -0.8987535 0.3099046), wk = 0.0011574 k( 763) = ( 0.4166667 -0.8987535 0.4554792), wk = 0.0011574 k( 764) = ( 0.4166667 -0.8987535 0.6010539), wk = 0.0011574 k( 765) = ( 0.4166667 -0.8987535 -1.0002671), wk = 0.0011574 k( 766) = ( 0.4166667 -0.8987535 -0.8546924), wk = 0.0011574 k( 767) = ( 0.4166667 -0.8987535 -0.7091178), wk = 0.0011574 k( 768) = ( 0.4166667 -0.8987535 -0.5635432), wk = 0.0011574 k( 769) = ( 0.4166667 -0.8987535 -0.4179685), wk = 0.0011574 k( 770) = ( 0.4166667 -0.8987535 -0.2723939), wk = 0.0011574 k( 771) = ( 0.4166667 -0.7677146 -0.1902289), wk = 0.0011574 k( 772) = ( 0.4166667 -0.7677146 -0.0446543), wk = 0.0011574 k( 773) = ( 0.4166667 -0.7677146 0.1009203), wk = 0.0011574 k( 774) = ( 0.4166667 -0.7677146 0.2464950), wk = 0.0011574 k( 775) = ( 0.4166667 -0.7677146 0.3920696), wk = 0.0011574 k( 776) = ( 0.4166667 -0.7677146 0.5376442), wk = 0.0011574 k( 777) = ( 0.4166667 -0.7677146 -1.0636767), wk = 0.0011574 k( 778) = ( 0.4166667 -0.7677146 -0.9181021), wk = 0.0011574 k( 779) = ( 0.4166667 -0.7677146 -0.7725275), wk = 0.0011574 k( 780) = ( 0.4166667 -0.7677146 -0.6269528), wk = 0.0011574 k( 781) = ( 0.4166667 -0.7677146 -0.4813782), wk = 0.0011574 k( 782) = ( 0.4166667 -0.7677146 -0.3358036), wk = 0.0011574 k( 783) = ( 0.4166667 -0.6366758 -0.2536386), wk = 0.0011574 k( 784) = ( 0.4166667 -0.6366758 -0.1080639), wk = 0.0011574 k( 785) = ( 0.4166667 -0.6366758 0.0375107), wk = 0.0011574 k( 786) = ( 0.4166667 -0.6366758 0.1830853), wk = 0.0011574 k( 787) = ( 0.4166667 -0.6366758 0.3286599), wk = 0.0011574 k( 788) = ( 0.4166667 -0.6366758 0.4742346), wk = 0.0011574 k( 789) = ( 0.4166667 -0.6366758 -1.1270864), wk = 0.0011574 k( 790) = ( 0.4166667 -0.6366758 -0.9815117), wk = 0.0011574 k( 791) = ( 0.4166667 -0.6366758 -0.8359371), wk = 0.0011574 k( 792) = ( 0.4166667 -0.6366758 -0.6903625), wk = 0.0011574 k( 793) = ( 0.4166667 -0.6366758 -0.5447878), wk = 0.0011574 k( 794) = ( 0.4166667 -0.6366758 -0.3992132), wk = 0.0011574 k( 795) = ( -0.5000000 0.6067642 0.3804579), wk = 0.0005787 k( 796) = ( -0.5000000 0.6067642 0.5260325), wk = 0.0011574 k( 797) = ( -0.5000000 0.6067642 0.6716071), wk = 0.0011574 k( 798) = ( -0.5000000 0.6067642 0.8171818), wk = 0.0011574 k( 799) = ( -0.5000000 0.6067642 0.9627564), wk = 0.0011574 k( 800) = ( -0.5000000 0.6067642 1.1083310), wk = 0.0011574 k( 801) = ( -0.5000000 0.6067642 -0.4929899), wk = 0.0005787 k( 802) = ( -0.5000000 0.7378031 0.3170482), wk = 0.0011574 k( 803) = ( -0.5000000 0.7378031 0.4626228), wk = 0.0011574 k( 804) = ( -0.5000000 0.7378031 0.6081975), wk = 0.0011574 k( 805) = ( -0.5000000 0.7378031 0.7537721), wk = 0.0011574 k( 806) = ( -0.5000000 0.7378031 0.8993467), wk = 0.0011574 k( 807) = ( -0.5000000 0.7378031 1.0449214), wk = 0.0011574 k( 808) = ( -0.5000000 0.7378031 -0.5563996), wk = 0.0011574 k( 809) = ( -0.5000000 0.7378031 -0.4108249), wk = 0.0011574 k( 810) = ( -0.5000000 0.7378031 -0.2652503), wk = 0.0011574 k( 811) = ( -0.5000000 0.7378031 -0.1196757), wk = 0.0011574 k( 812) = ( -0.5000000 0.7378031 0.0258990), wk = 0.0011574 k( 813) = ( -0.5000000 0.7378031 0.1714736), wk = 0.0011574 k( 814) = ( -0.5000000 0.8688420 0.2536386), wk = 0.0011574 k( 815) = ( -0.5000000 0.8688420 0.3992132), wk = 0.0011574 k( 816) = ( -0.5000000 0.8688420 0.5447878), wk = 0.0011574 k( 817) = ( -0.5000000 0.8688420 0.6903625), wk = 0.0011574 k( 818) = ( -0.5000000 0.8688420 0.8359371), wk = 0.0011574 k( 819) = ( -0.5000000 0.8688420 0.9815117), wk = 0.0011574 k( 820) = ( -0.5000000 0.8688420 -0.6198092), wk = 0.0011574 k( 821) = ( -0.5000000 0.8688420 -0.4742346), wk = 0.0011574 k( 822) = ( -0.5000000 0.8688420 -0.3286599), wk = 0.0011574 k( 823) = ( -0.5000000 0.8688420 -0.1830853), wk = 0.0011574 k( 824) = ( -0.5000000 0.8688420 -0.0375107), wk = 0.0011574 k( 825) = ( -0.5000000 0.8688420 0.1080639), wk = 0.0011574 k( 826) = ( -0.5000000 0.9998809 0.1902289), wk = 0.0011574 k( 827) = ( -0.5000000 0.9998809 0.3358036), wk = 0.0011574 k( 828) = ( -0.5000000 0.9998809 0.4813782), wk = 0.0011574 k( 829) = ( -0.5000000 0.9998809 0.6269528), wk = 0.0011574 k( 830) = ( -0.5000000 0.9998809 0.7725275), wk = 0.0011574 k( 831) = ( -0.5000000 0.9998809 0.9181021), wk = 0.0011574 k( 832) = ( -0.5000000 0.9998809 -0.6832188), wk = 0.0011574 k( 833) = ( -0.5000000 0.9998809 -0.5376442), wk = 0.0011574 k( 834) = ( -0.5000000 0.9998809 -0.3920696), wk = 0.0011574 k( 835) = ( -0.5000000 0.9998809 -0.2464950), wk = 0.0011574 k( 836) = ( -0.5000000 0.9998809 -0.1009203), wk = 0.0011574 k( 837) = ( -0.5000000 0.9998809 0.0446543), wk = 0.0011574 k( 838) = ( -0.5000000 1.1309198 0.1268193), wk = 0.0011574 k( 839) = ( -0.5000000 1.1309198 0.2723939), wk = 0.0011574 k( 840) = ( -0.5000000 1.1309198 0.4179685), wk = 0.0011574 k( 841) = ( -0.5000000 1.1309198 0.5635432), wk = 0.0011574 k( 842) = ( -0.5000000 1.1309198 0.7091178), wk = 0.0011574 k( 843) = ( -0.5000000 1.1309198 0.8546924), wk = 0.0011574 k( 844) = ( -0.5000000 1.1309198 -0.7466285), wk = 0.0011574 k( 845) = ( -0.5000000 1.1309198 -0.6010539), wk = 0.0011574 k( 846) = ( -0.5000000 1.1309198 -0.4554792), wk = 0.0011574 k( 847) = ( -0.5000000 1.1309198 -0.3099046), wk = 0.0011574 k( 848) = ( -0.5000000 1.1309198 -0.1643300), wk = 0.0011574 k( 849) = ( -0.5000000 1.1309198 -0.0187553), wk = 0.0011574 k( 850) = ( -0.5000000 1.2619587 0.0634096), wk = 0.0011574 k( 851) = ( -0.5000000 1.2619587 0.2089843), wk = 0.0011574 k( 852) = ( -0.5000000 1.2619587 0.3545589), wk = 0.0011574 k( 853) = ( -0.5000000 1.2619587 0.5001335), wk = 0.0011574 k( 854) = ( -0.5000000 1.2619587 0.6457082), wk = 0.0011574 k( 855) = ( -0.5000000 1.2619587 0.7912828), wk = 0.0011574 k( 856) = ( -0.5000000 1.2619587 -0.8100381), wk = 0.0011574 k( 857) = ( -0.5000000 1.2619587 -0.6644635), wk = 0.0011574 k( 858) = ( -0.5000000 1.2619587 -0.5188889), wk = 0.0011574 k( 859) = ( -0.5000000 1.2619587 -0.3733142), wk = 0.0011574 k( 860) = ( -0.5000000 1.2619587 -0.2277396), wk = 0.0011574 k( 861) = ( -0.5000000 1.2619587 -0.0821650), wk = 0.0011574 k( 862) = ( -0.5000000 -0.1794691 0.7609157), wk = 0.0005787 k( 863) = ( -0.5000000 -0.1794691 0.9064904), wk = 0.0011574 k( 864) = ( -0.5000000 -0.1794691 1.0520650), wk = 0.0011574 k( 865) = ( -0.5000000 -0.1794691 1.1976396), wk = 0.0011574 k( 866) = ( -0.5000000 -0.1794691 1.3432142), wk = 0.0011574 k( 867) = ( -0.5000000 -0.1794691 1.4887889), wk = 0.0011574 k( 868) = ( -0.5000000 -0.1794691 -0.1125321), wk = 0.0005787 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0005787 k( 2) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0011574 k( 3) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0011574 k( 4) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0011574 k( 5) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0011574 k( 6) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0011574 k( 7) = ( 0.0000000 0.0000000 -0.5000000), wk = 0.0005787 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0011574 k( 9) = ( 0.0000000 0.0833333 0.0833333), wk = 0.0011574 k( 10) = ( 0.0000000 0.0833333 0.1666667), wk = 0.0011574 k( 11) = ( 0.0000000 0.0833333 0.2500000), wk = 0.0011574 k( 12) = ( 0.0000000 0.0833333 0.3333333), wk = 0.0011574 k( 13) = ( 0.0000000 0.0833333 0.4166667), wk = 0.0011574 k( 14) = ( 0.0000000 0.0833333 -0.5000000), wk = 0.0011574 k( 15) = ( 0.0000000 0.0833333 -0.4166667), wk = 0.0011574 k( 16) = ( 0.0000000 0.0833333 -0.3333333), wk = 0.0011574 k( 17) = ( 0.0000000 0.0833333 -0.2500000), wk = 0.0011574 k( 18) = ( 0.0000000 0.0833333 -0.1666667), wk = 0.0011574 k( 19) = ( 0.0000000 0.0833333 -0.0833333), wk = 0.0011574 k( 20) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0011574 k( 21) = ( 0.0000000 0.1666667 0.0833333), wk = 0.0011574 k( 22) = ( 0.0000000 0.1666667 0.1666667), wk = 0.0011574 k( 23) = ( 0.0000000 0.1666667 0.2500000), wk = 0.0011574 k( 24) = ( 0.0000000 0.1666667 0.3333333), wk = 0.0011574 k( 25) = ( 0.0000000 0.1666667 0.4166667), wk = 0.0011574 k( 26) = ( 0.0000000 0.1666667 -0.5000000), wk = 0.0011574 k( 27) = ( 0.0000000 0.1666667 -0.4166667), wk = 0.0011574 k( 28) = ( 0.0000000 0.1666667 -0.3333333), wk = 0.0011574 k( 29) = ( 0.0000000 0.1666667 -0.2500000), wk = 0.0011574 k( 30) = ( 0.0000000 0.1666667 -0.1666667), wk = 0.0011574 k( 31) = ( 0.0000000 0.1666667 -0.0833333), wk = 0.0011574 k( 32) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0011574 k( 33) = ( 0.0000000 0.2500000 0.0833333), wk = 0.0011574 k( 34) = ( 0.0000000 0.2500000 0.1666667), wk = 0.0011574 k( 35) = ( 0.0000000 0.2500000 0.2500000), wk = 0.0011574 k( 36) = ( 0.0000000 0.2500000 0.3333333), wk = 0.0011574 k( 37) = ( 0.0000000 0.2500000 0.4166667), wk = 0.0011574 k( 38) = ( 0.0000000 0.2500000 -0.5000000), wk = 0.0011574 k( 39) = ( 0.0000000 0.2500000 -0.4166667), wk = 0.0011574 k( 40) = ( 0.0000000 0.2500000 -0.3333333), wk = 0.0011574 k( 41) = ( 0.0000000 0.2500000 -0.2500000), wk = 0.0011574 k( 42) = ( 0.0000000 0.2500000 -0.1666667), wk = 0.0011574 k( 43) = ( 0.0000000 0.2500000 -0.0833333), wk = 0.0011574 k( 44) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0011574 k( 45) = ( 0.0000000 0.3333333 0.0833333), wk = 0.0011574 k( 46) = ( 0.0000000 0.3333333 0.1666667), wk = 0.0011574 k( 47) = ( 0.0000000 0.3333333 0.2500000), wk = 0.0011574 k( 48) = ( 0.0000000 0.3333333 0.3333333), wk = 0.0011574 k( 49) = ( 0.0000000 0.3333333 0.4166667), wk = 0.0011574 k( 50) = ( 0.0000000 0.3333333 -0.5000000), wk = 0.0011574 k( 51) = ( 0.0000000 0.3333333 -0.4166667), wk = 0.0011574 k( 52) = ( 0.0000000 0.3333333 -0.3333333), wk = 0.0011574 k( 53) = ( 0.0000000 0.3333333 -0.2500000), wk = 0.0011574 k( 54) = ( 0.0000000 0.3333333 -0.1666667), wk = 0.0011574 k( 55) = ( 0.0000000 0.3333333 -0.0833333), wk = 0.0011574 k( 56) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0011574 k( 57) = ( 0.0000000 0.4166667 0.0833333), wk = 0.0011574 k( 58) = ( 0.0000000 0.4166667 0.1666667), wk = 0.0011574 k( 59) = ( 0.0000000 0.4166667 0.2500000), wk = 0.0011574 k( 60) = ( 0.0000000 0.4166667 0.3333333), wk = 0.0011574 k( 61) = ( 0.0000000 0.4166667 0.4166667), wk = 0.0011574 k( 62) = ( 0.0000000 0.4166667 -0.5000000), wk = 0.0011574 k( 63) = ( 0.0000000 0.4166667 -0.4166667), wk = 0.0011574 k( 64) = ( 0.0000000 0.4166667 -0.3333333), wk = 0.0011574 k( 65) = ( 0.0000000 0.4166667 -0.2500000), wk = 0.0011574 k( 66) = ( 0.0000000 0.4166667 -0.1666667), wk = 0.0011574 k( 67) = ( 0.0000000 0.4166667 -0.0833333), wk = 0.0011574 k( 68) = ( 0.0000000 -0.5000000 -0.0000000), wk = 0.0005787 k( 69) = ( 0.0000000 -0.5000000 0.0833333), wk = 0.0011574 k( 70) = ( 0.0000000 -0.5000000 0.1666667), wk = 0.0011574 k( 71) = ( 0.0000000 -0.5000000 0.2500000), wk = 0.0011574 k( 72) = ( 0.0000000 -0.5000000 0.3333333), wk = 0.0011574 k( 73) = ( 0.0000000 -0.5000000 0.4166667), wk = 0.0011574 k( 74) = ( 0.0000000 -0.5000000 -0.5000000), wk = 0.0005787 k( 75) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0011574 k( 76) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0011574 k( 77) = ( 0.0833333 -0.0000000 0.1666667), wk = 0.0011574 k( 78) = ( 0.0833333 -0.0000000 0.2500000), wk = 0.0011574 k( 79) = ( 0.0833333 -0.0000000 0.3333333), wk = 0.0011574 k( 80) = ( 0.0833333 -0.0000000 0.4166667), wk = 0.0011574 k( 81) = ( 0.0833333 -0.0000000 -0.5000000), wk = 0.0011574 k( 82) = ( 0.0833333 -0.0000000 -0.4166667), wk = 0.0011574 k( 83) = ( 0.0833333 -0.0000000 -0.3333333), wk = 0.0011574 k( 84) = ( 0.0833333 -0.0000000 -0.2500000), wk = 0.0011574 k( 85) = ( 0.0833333 -0.0000000 -0.1666667), wk = 0.0011574 k( 86) = ( 0.0833333 -0.0000000 -0.0833333), wk = 0.0011574 k( 87) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0011574 k( 88) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0011574 k( 89) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0011574 k( 90) = ( 0.0833333 0.0833333 0.2500000), wk = 0.0011574 k( 91) = ( 0.0833333 0.0833333 0.3333333), wk = 0.0011574 k( 92) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0011574 k( 93) = ( 0.0833333 0.0833333 -0.5000000), wk = 0.0011574 k( 94) = ( 0.0833333 0.0833333 -0.4166667), wk = 0.0011574 k( 95) = ( 0.0833333 0.0833333 -0.3333333), wk = 0.0011574 k( 96) = ( 0.0833333 0.0833333 -0.2500000), wk = 0.0011574 k( 97) = ( 0.0833333 0.0833333 -0.1666667), wk = 0.0011574 k( 98) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0011574 k( 99) = ( 0.0833333 0.1666667 -0.0000000), wk = 0.0011574 k( 100) = ( 0.0833333 0.1666667 0.0833333), wk = 0.0011574 k( 101) = ( 0.0833333 0.1666667 0.1666667), wk = 0.0011574 k( 102) = ( 0.0833333 0.1666667 0.2500000), wk = 0.0011574 k( 103) = ( 0.0833333 0.1666667 0.3333333), wk = 0.0011574 k( 104) = ( 0.0833333 0.1666667 0.4166667), wk = 0.0011574 k( 105) = ( 0.0833333 0.1666667 -0.5000000), wk = 0.0011574 k( 106) = ( 0.0833333 0.1666667 -0.4166667), wk = 0.0011574 k( 107) = ( 0.0833333 0.1666667 -0.3333333), wk = 0.0011574 k( 108) = ( 0.0833333 0.1666667 -0.2500000), wk = 0.0011574 k( 109) = ( 0.0833333 0.1666667 -0.1666667), wk = 0.0011574 k( 110) = ( 0.0833333 0.1666667 -0.0833333), wk = 0.0011574 k( 111) = ( 0.0833333 0.2500000 -0.0000000), wk = 0.0011574 k( 112) = ( 0.0833333 0.2500000 0.0833333), wk = 0.0011574 k( 113) = ( 0.0833333 0.2500000 0.1666667), wk = 0.0011574 k( 114) = ( 0.0833333 0.2500000 0.2500000), wk = 0.0011574 k( 115) = ( 0.0833333 0.2500000 0.3333333), wk = 0.0011574 k( 116) = ( 0.0833333 0.2500000 0.4166667), wk = 0.0011574 k( 117) = ( 0.0833333 0.2500000 -0.5000000), wk = 0.0011574 k( 118) = ( 0.0833333 0.2500000 -0.4166667), wk = 0.0011574 k( 119) = ( 0.0833333 0.2500000 -0.3333333), wk = 0.0011574 k( 120) = ( 0.0833333 0.2500000 -0.2500000), wk = 0.0011574 k( 121) = ( 0.0833333 0.2500000 -0.1666667), wk = 0.0011574 k( 122) = ( 0.0833333 0.2500000 -0.0833333), wk = 0.0011574 k( 123) = ( 0.0833333 0.3333333 -0.0000000), wk = 0.0011574 k( 124) = ( 0.0833333 0.3333333 0.0833333), wk = 0.0011574 k( 125) = ( 0.0833333 0.3333333 0.1666667), wk = 0.0011574 k( 126) = ( 0.0833333 0.3333333 0.2500000), wk = 0.0011574 k( 127) = ( 0.0833333 0.3333333 0.3333333), wk = 0.0011574 k( 128) = ( 0.0833333 0.3333333 0.4166667), wk = 0.0011574 k( 129) = ( 0.0833333 0.3333333 -0.5000000), wk = 0.0011574 k( 130) = ( 0.0833333 0.3333333 -0.4166667), wk = 0.0011574 k( 131) = ( 0.0833333 0.3333333 -0.3333333), wk = 0.0011574 k( 132) = ( 0.0833333 0.3333333 -0.2500000), wk = 0.0011574 k( 133) = ( 0.0833333 0.3333333 -0.1666667), wk = 0.0011574 k( 134) = ( 0.0833333 0.3333333 -0.0833333), wk = 0.0011574 k( 135) = ( 0.0833333 0.4166667 0.0000000), wk = 0.0011574 k( 136) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0011574 k( 137) = ( 0.0833333 0.4166667 0.1666667), wk = 0.0011574 k( 138) = ( 0.0833333 0.4166667 0.2500000), wk = 0.0011574 k( 139) = ( 0.0833333 0.4166667 0.3333333), wk = 0.0011574 k( 140) = ( 0.0833333 0.4166667 0.4166667), wk = 0.0011574 k( 141) = ( 0.0833333 0.4166667 -0.5000000), wk = 0.0011574 k( 142) = ( 0.0833333 0.4166667 -0.4166667), wk = 0.0011574 k( 143) = ( 0.0833333 0.4166667 -0.3333333), wk = 0.0011574 k( 144) = ( 0.0833333 0.4166667 -0.2500000), wk = 0.0011574 k( 145) = ( 0.0833333 0.4166667 -0.1666667), wk = 0.0011574 k( 146) = ( 0.0833333 0.4166667 -0.0833333), wk = 0.0011574 k( 147) = ( 0.0833333 -0.5000000 0.0000000), wk = 0.0011574 k( 148) = ( 0.0833333 -0.5000000 0.0833333), wk = 0.0011574 k( 149) = ( 0.0833333 -0.5000000 0.1666667), wk = 0.0011574 k( 150) = ( 0.0833333 -0.5000000 0.2500000), wk = 0.0011574 k( 151) = ( 0.0833333 -0.5000000 0.3333333), wk = 0.0011574 k( 152) = ( 0.0833333 -0.5000000 0.4166667), wk = 0.0011574 k( 153) = ( 0.0833333 -0.5000000 -0.5000000), wk = 0.0011574 k( 154) = ( 0.0833333 -0.5000000 -0.4166667), wk = 0.0011574 k( 155) = ( 0.0833333 -0.5000000 -0.3333333), wk = 0.0011574 k( 156) = ( 0.0833333 -0.5000000 -0.2500000), wk = 0.0011574 k( 157) = ( 0.0833333 -0.5000000 -0.1666667), wk = 0.0011574 k( 158) = ( 0.0833333 -0.5000000 -0.0833333), wk = 0.0011574 k( 159) = ( 0.0833333 -0.4166667 0.0000000), wk = 0.0011574 k( 160) = ( 0.0833333 -0.4166667 0.0833333), wk = 0.0011574 k( 161) = ( 0.0833333 -0.4166667 0.1666667), wk = 0.0011574 k( 162) = ( 0.0833333 -0.4166667 0.2500000), wk = 0.0011574 k( 163) = ( 0.0833333 -0.4166667 0.3333333), wk = 0.0011574 k( 164) = ( 0.0833333 -0.4166667 0.4166667), wk = 0.0011574 k( 165) = ( 0.0833333 -0.4166667 -0.5000000), wk = 0.0011574 k( 166) = ( 0.0833333 -0.4166667 -0.4166667), wk = 0.0011574 k( 167) = ( 0.0833333 -0.4166667 -0.3333333), wk = 0.0011574 k( 168) = ( 0.0833333 -0.4166667 -0.2500000), wk = 0.0011574 k( 169) = ( 0.0833333 -0.4166667 -0.1666667), wk = 0.0011574 k( 170) = ( 0.0833333 -0.4166667 -0.0833333), wk = 0.0011574 k( 171) = ( 0.0833333 -0.3333333 0.0000000), wk = 0.0011574 k( 172) = ( 0.0833333 -0.3333333 0.0833333), wk = 0.0011574 k( 173) = ( 0.0833333 -0.3333333 0.1666667), wk = 0.0011574 k( 174) = ( 0.0833333 -0.3333333 0.2500000), wk = 0.0011574 k( 175) = ( 0.0833333 -0.3333333 0.3333333), wk = 0.0011574 k( 176) = ( 0.0833333 -0.3333333 0.4166667), wk = 0.0011574 k( 177) = ( 0.0833333 -0.3333333 -0.5000000), wk = 0.0011574 k( 178) = ( 0.0833333 -0.3333333 -0.4166667), wk = 0.0011574 k( 179) = ( 0.0833333 -0.3333333 -0.3333333), wk = 0.0011574 k( 180) = ( 0.0833333 -0.3333333 -0.2500000), wk = 0.0011574 k( 181) = ( 0.0833333 -0.3333333 -0.1666667), wk = 0.0011574 k( 182) = ( 0.0833333 -0.3333333 -0.0833333), wk = 0.0011574 k( 183) = ( 0.0833333 -0.2500000 -0.0000000), wk = 0.0011574 k( 184) = ( 0.0833333 -0.2500000 0.0833333), wk = 0.0011574 k( 185) = ( 0.0833333 -0.2500000 0.1666667), wk = 0.0011574 k( 186) = ( 0.0833333 -0.2500000 0.2500000), wk = 0.0011574 k( 187) = ( 0.0833333 -0.2500000 0.3333333), wk = 0.0011574 k( 188) = ( 0.0833333 -0.2500000 0.4166667), wk = 0.0011574 k( 189) = ( 0.0833333 -0.2500000 -0.5000000), wk = 0.0011574 k( 190) = ( 0.0833333 -0.2500000 -0.4166667), wk = 0.0011574 k( 191) = ( 0.0833333 -0.2500000 -0.3333333), wk = 0.0011574 k( 192) = ( 0.0833333 -0.2500000 -0.2500000), wk = 0.0011574 k( 193) = ( 0.0833333 -0.2500000 -0.1666667), wk = 0.0011574 k( 194) = ( 0.0833333 -0.2500000 -0.0833333), wk = 0.0011574 k( 195) = ( 0.0833333 -0.1666667 -0.0000000), wk = 0.0011574 k( 196) = ( 0.0833333 -0.1666667 0.0833333), wk = 0.0011574 k( 197) = ( 0.0833333 -0.1666667 0.1666667), wk = 0.0011574 k( 198) = ( 0.0833333 -0.1666667 0.2500000), wk = 0.0011574 k( 199) = ( 0.0833333 -0.1666667 0.3333333), wk = 0.0011574 k( 200) = ( 0.0833333 -0.1666667 0.4166667), wk = 0.0011574 k( 201) = ( 0.0833333 -0.1666667 -0.5000000), wk = 0.0011574 k( 202) = ( 0.0833333 -0.1666667 -0.4166667), wk = 0.0011574 k( 203) = ( 0.0833333 -0.1666667 -0.3333333), wk = 0.0011574 k( 204) = ( 0.0833333 -0.1666667 -0.2500000), wk = 0.0011574 k( 205) = ( 0.0833333 -0.1666667 -0.1666667), wk = 0.0011574 k( 206) = ( 0.0833333 -0.1666667 -0.0833333), wk = 0.0011574 k( 207) = ( 0.0833333 -0.0833333 0.0000000), wk = 0.0011574 k( 208) = ( 0.0833333 -0.0833333 0.0833333), wk = 0.0011574 k( 209) = ( 0.0833333 -0.0833333 0.1666667), wk = 0.0011574 k( 210) = ( 0.0833333 -0.0833333 0.2500000), wk = 0.0011574 k( 211) = ( 0.0833333 -0.0833333 0.3333333), wk = 0.0011574 k( 212) = ( 0.0833333 -0.0833333 0.4166667), wk = 0.0011574 k( 213) = ( 0.0833333 -0.0833333 -0.5000000), wk = 0.0011574 k( 214) = ( 0.0833333 -0.0833333 -0.4166667), wk = 0.0011574 k( 215) = ( 0.0833333 -0.0833333 -0.3333333), wk = 0.0011574 k( 216) = ( 0.0833333 -0.0833333 -0.2500000), wk = 0.0011574 k( 217) = ( 0.0833333 -0.0833333 -0.1666667), wk = 0.0011574 k( 218) = ( 0.0833333 -0.0833333 -0.0833333), wk = 0.0011574 k( 219) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0011574 k( 220) = ( 0.1666667 -0.0000000 0.0833333), wk = 0.0011574 k( 221) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0011574 k( 222) = ( 0.1666667 -0.0000000 0.2500000), wk = 0.0011574 k( 223) = ( 0.1666667 -0.0000000 0.3333333), wk = 0.0011574 k( 224) = ( 0.1666667 -0.0000000 0.4166667), wk = 0.0011574 k( 225) = ( 0.1666667 -0.0000000 -0.5000000), wk = 0.0011574 k( 226) = ( 0.1666667 -0.0000000 -0.4166667), wk = 0.0011574 k( 227) = ( 0.1666667 -0.0000000 -0.3333333), wk = 0.0011574 k( 228) = ( 0.1666667 -0.0000000 -0.2500000), wk = 0.0011574 k( 229) = ( 0.1666667 -0.0000000 -0.1666667), wk = 0.0011574 k( 230) = ( 0.1666667 -0.0000000 -0.0833333), wk = 0.0011574 k( 231) = ( 0.1666667 0.0833333 -0.0000000), wk = 0.0011574 k( 232) = ( 0.1666667 0.0833333 0.0833333), wk = 0.0011574 k( 233) = ( 0.1666667 0.0833333 0.1666667), wk = 0.0011574 k( 234) = ( 0.1666667 0.0833333 0.2500000), wk = 0.0011574 k( 235) = ( 0.1666667 0.0833333 0.3333333), wk = 0.0011574 k( 236) = ( 0.1666667 0.0833333 0.4166667), wk = 0.0011574 k( 237) = ( 0.1666667 0.0833333 -0.5000000), wk = 0.0011574 k( 238) = ( 0.1666667 0.0833333 -0.4166667), wk = 0.0011574 k( 239) = ( 0.1666667 0.0833333 -0.3333333), wk = 0.0011574 k( 240) = ( 0.1666667 0.0833333 -0.2500000), wk = 0.0011574 k( 241) = ( 0.1666667 0.0833333 -0.1666667), wk = 0.0011574 k( 242) = ( 0.1666667 0.0833333 -0.0833333), wk = 0.0011574 k( 243) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0011574 k( 244) = ( 0.1666667 0.1666667 0.0833333), wk = 0.0011574 k( 245) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0011574 k( 246) = ( 0.1666667 0.1666667 0.2500000), wk = 0.0011574 k( 247) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0011574 k( 248) = ( 0.1666667 0.1666667 0.4166667), wk = 0.0011574 k( 249) = ( 0.1666667 0.1666667 -0.5000000), wk = 0.0011574 k( 250) = ( 0.1666667 0.1666667 -0.4166667), wk = 0.0011574 k( 251) = ( 0.1666667 0.1666667 -0.3333333), wk = 0.0011574 k( 252) = ( 0.1666667 0.1666667 -0.2500000), wk = 0.0011574 k( 253) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0011574 k( 254) = ( 0.1666667 0.1666667 -0.0833333), wk = 0.0011574 k( 255) = ( 0.1666667 0.2500000 -0.0000000), wk = 0.0011574 k( 256) = ( 0.1666667 0.2500000 0.0833333), wk = 0.0011574 k( 257) = ( 0.1666667 0.2500000 0.1666667), wk = 0.0011574 k( 258) = ( 0.1666667 0.2500000 0.2500000), wk = 0.0011574 k( 259) = ( 0.1666667 0.2500000 0.3333333), wk = 0.0011574 k( 260) = ( 0.1666667 0.2500000 0.4166667), wk = 0.0011574 k( 261) = ( 0.1666667 0.2500000 -0.5000000), wk = 0.0011574 k( 262) = ( 0.1666667 0.2500000 -0.4166667), wk = 0.0011574 k( 263) = ( 0.1666667 0.2500000 -0.3333333), wk = 0.0011574 k( 264) = ( 0.1666667 0.2500000 -0.2500000), wk = 0.0011574 k( 265) = ( 0.1666667 0.2500000 -0.1666667), wk = 0.0011574 k( 266) = ( 0.1666667 0.2500000 -0.0833333), wk = 0.0011574 k( 267) = ( 0.1666667 0.3333333 -0.0000000), wk = 0.0011574 k( 268) = ( 0.1666667 0.3333333 0.0833333), wk = 0.0011574 k( 269) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0011574 k( 270) = ( 0.1666667 0.3333333 0.2500000), wk = 0.0011574 k( 271) = ( 0.1666667 0.3333333 0.3333333), wk = 0.0011574 k( 272) = ( 0.1666667 0.3333333 0.4166667), wk = 0.0011574 k( 273) = ( 0.1666667 0.3333333 -0.5000000), wk = 0.0011574 k( 274) = ( 0.1666667 0.3333333 -0.4166667), wk = 0.0011574 k( 275) = ( 0.1666667 0.3333333 -0.3333333), wk = 0.0011574 k( 276) = ( 0.1666667 0.3333333 -0.2500000), wk = 0.0011574 k( 277) = ( 0.1666667 0.3333333 -0.1666667), wk = 0.0011574 k( 278) = ( 0.1666667 0.3333333 -0.0833333), wk = 0.0011574 k( 279) = ( 0.1666667 0.4166667 -0.0000000), wk = 0.0011574 k( 280) = ( 0.1666667 0.4166667 0.0833333), wk = 0.0011574 k( 281) = ( 0.1666667 0.4166667 0.1666667), wk = 0.0011574 k( 282) = ( 0.1666667 0.4166667 0.2500000), wk = 0.0011574 k( 283) = ( 0.1666667 0.4166667 0.3333333), wk = 0.0011574 k( 284) = ( 0.1666667 0.4166667 0.4166667), wk = 0.0011574 k( 285) = ( 0.1666667 0.4166667 -0.5000000), wk = 0.0011574 k( 286) = ( 0.1666667 0.4166667 -0.4166667), wk = 0.0011574 k( 287) = ( 0.1666667 0.4166667 -0.3333333), wk = 0.0011574 k( 288) = ( 0.1666667 0.4166667 -0.2500000), wk = 0.0011574 k( 289) = ( 0.1666667 0.4166667 -0.1666667), wk = 0.0011574 k( 290) = ( 0.1666667 0.4166667 -0.0833333), wk = 0.0011574 k( 291) = ( 0.1666667 -0.5000000 -0.0000000), wk = 0.0011574 k( 292) = ( 0.1666667 -0.5000000 0.0833333), wk = 0.0011574 k( 293) = ( 0.1666667 -0.5000000 0.1666667), wk = 0.0011574 k( 294) = ( 0.1666667 -0.5000000 0.2500000), wk = 0.0011574 k( 295) = ( 0.1666667 -0.5000000 0.3333333), wk = 0.0011574 k( 296) = ( 0.1666667 -0.5000000 0.4166667), wk = 0.0011574 k( 297) = ( 0.1666667 -0.5000000 -0.5000000), wk = 0.0011574 k( 298) = ( 0.1666667 -0.5000000 -0.4166667), wk = 0.0011574 k( 299) = ( 0.1666667 -0.5000000 -0.3333333), wk = 0.0011574 k( 300) = ( 0.1666667 -0.5000000 -0.2500000), wk = 0.0011574 k( 301) = ( 0.1666667 -0.5000000 -0.1666667), wk = 0.0011574 k( 302) = ( 0.1666667 -0.5000000 -0.0833333), wk = 0.0011574 k( 303) = ( 0.1666667 -0.4166667 -0.0000000), wk = 0.0011574 k( 304) = ( 0.1666667 -0.4166667 0.0833333), wk = 0.0011574 k( 305) = ( 0.1666667 -0.4166667 0.1666667), wk = 0.0011574 k( 306) = ( 0.1666667 -0.4166667 0.2500000), wk = 0.0011574 k( 307) = ( 0.1666667 -0.4166667 0.3333333), wk = 0.0011574 k( 308) = ( 0.1666667 -0.4166667 0.4166667), wk = 0.0011574 k( 309) = ( 0.1666667 -0.4166667 -0.5000000), wk = 0.0011574 k( 310) = ( 0.1666667 -0.4166667 -0.4166667), wk = 0.0011574 k( 311) = ( 0.1666667 -0.4166667 -0.3333333), wk = 0.0011574 k( 312) = ( 0.1666667 -0.4166667 -0.2500000), wk = 0.0011574 k( 313) = ( 0.1666667 -0.4166667 -0.1666667), wk = 0.0011574 k( 314) = ( 0.1666667 -0.4166667 -0.0833333), wk = 0.0011574 k( 315) = ( 0.1666667 -0.3333333 0.0000000), wk = 0.0011574 k( 316) = ( 0.1666667 -0.3333333 0.0833333), wk = 0.0011574 k( 317) = ( 0.1666667 -0.3333333 0.1666667), wk = 0.0011574 k( 318) = ( 0.1666667 -0.3333333 0.2500000), wk = 0.0011574 k( 319) = ( 0.1666667 -0.3333333 0.3333333), wk = 0.0011574 k( 320) = ( 0.1666667 -0.3333333 0.4166667), wk = 0.0011574 k( 321) = ( 0.1666667 -0.3333333 -0.5000000), wk = 0.0011574 k( 322) = ( 0.1666667 -0.3333333 -0.4166667), wk = 0.0011574 k( 323) = ( 0.1666667 -0.3333333 -0.3333333), wk = 0.0011574 k( 324) = ( 0.1666667 -0.3333333 -0.2500000), wk = 0.0011574 k( 325) = ( 0.1666667 -0.3333333 -0.1666667), wk = 0.0011574 k( 326) = ( 0.1666667 -0.3333333 -0.0833333), wk = 0.0011574 k( 327) = ( 0.1666667 -0.2500000 0.0000000), wk = 0.0011574 k( 328) = ( 0.1666667 -0.2500000 0.0833333), wk = 0.0011574 k( 329) = ( 0.1666667 -0.2500000 0.1666667), wk = 0.0011574 k( 330) = ( 0.1666667 -0.2500000 0.2500000), wk = 0.0011574 k( 331) = ( 0.1666667 -0.2500000 0.3333333), wk = 0.0011574 k( 332) = ( 0.1666667 -0.2500000 0.4166667), wk = 0.0011574 k( 333) = ( 0.1666667 -0.2500000 -0.5000000), wk = 0.0011574 k( 334) = ( 0.1666667 -0.2500000 -0.4166667), wk = 0.0011574 k( 335) = ( 0.1666667 -0.2500000 -0.3333333), wk = 0.0011574 k( 336) = ( 0.1666667 -0.2500000 -0.2500000), wk = 0.0011574 k( 337) = ( 0.1666667 -0.2500000 -0.1666667), wk = 0.0011574 k( 338) = ( 0.1666667 -0.2500000 -0.0833333), wk = 0.0011574 k( 339) = ( 0.1666667 -0.1666667 -0.0000000), wk = 0.0011574 k( 340) = ( 0.1666667 -0.1666667 0.0833333), wk = 0.0011574 k( 341) = ( 0.1666667 -0.1666667 0.1666667), wk = 0.0011574 k( 342) = ( 0.1666667 -0.1666667 0.2500000), wk = 0.0011574 k( 343) = ( 0.1666667 -0.1666667 0.3333333), wk = 0.0011574 k( 344) = ( 0.1666667 -0.1666667 0.4166667), wk = 0.0011574 k( 345) = ( 0.1666667 -0.1666667 -0.5000000), wk = 0.0011574 k( 346) = ( 0.1666667 -0.1666667 -0.4166667), wk = 0.0011574 k( 347) = ( 0.1666667 -0.1666667 -0.3333333), wk = 0.0011574 k( 348) = ( 0.1666667 -0.1666667 -0.2500000), wk = 0.0011574 k( 349) = ( 0.1666667 -0.1666667 -0.1666667), wk = 0.0011574 k( 350) = ( 0.1666667 -0.1666667 -0.0833333), wk = 0.0011574 k( 351) = ( 0.1666667 -0.0833333 -0.0000000), wk = 0.0011574 k( 352) = ( 0.1666667 -0.0833333 0.0833333), wk = 0.0011574 k( 353) = ( 0.1666667 -0.0833333 0.1666667), wk = 0.0011574 k( 354) = ( 0.1666667 -0.0833333 0.2500000), wk = 0.0011574 k( 355) = ( 0.1666667 -0.0833333 0.3333333), wk = 0.0011574 k( 356) = ( 0.1666667 -0.0833333 0.4166667), wk = 0.0011574 k( 357) = ( 0.1666667 -0.0833333 -0.5000000), wk = 0.0011574 k( 358) = ( 0.1666667 -0.0833333 -0.4166667), wk = 0.0011574 k( 359) = ( 0.1666667 -0.0833333 -0.3333333), wk = 0.0011574 k( 360) = ( 0.1666667 -0.0833333 -0.2500000), wk = 0.0011574 k( 361) = ( 0.1666667 -0.0833333 -0.1666667), wk = 0.0011574 k( 362) = ( 0.1666667 -0.0833333 -0.0833333), wk = 0.0011574 k( 363) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0011574 k( 364) = ( 0.2500000 0.0000000 0.0833333), wk = 0.0011574 k( 365) = ( 0.2500000 0.0000000 0.1666667), wk = 0.0011574 k( 366) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0011574 k( 367) = ( 0.2500000 0.0000000 0.3333333), wk = 0.0011574 k( 368) = ( 0.2500000 0.0000000 0.4166667), wk = 0.0011574 k( 369) = ( 0.2500000 0.0000000 -0.5000000), wk = 0.0011574 k( 370) = ( 0.2500000 0.0000000 -0.4166667), wk = 0.0011574 k( 371) = ( 0.2500000 0.0000000 -0.3333333), wk = 0.0011574 k( 372) = ( 0.2500000 0.0000000 -0.2500000), wk = 0.0011574 k( 373) = ( 0.2500000 0.0000000 -0.1666667), wk = 0.0011574 k( 374) = ( 0.2500000 0.0000000 -0.0833333), wk = 0.0011574 k( 375) = ( 0.2500000 0.0833333 -0.0000000), wk = 0.0011574 k( 376) = ( 0.2500000 0.0833333 0.0833333), wk = 0.0011574 k( 377) = ( 0.2500000 0.0833333 0.1666667), wk = 0.0011574 k( 378) = ( 0.2500000 0.0833333 0.2500000), wk = 0.0011574 k( 379) = ( 0.2500000 0.0833333 0.3333333), wk = 0.0011574 k( 380) = ( 0.2500000 0.0833333 0.4166667), wk = 0.0011574 k( 381) = ( 0.2500000 0.0833333 -0.5000000), wk = 0.0011574 k( 382) = ( 0.2500000 0.0833333 -0.4166667), wk = 0.0011574 k( 383) = ( 0.2500000 0.0833333 -0.3333333), wk = 0.0011574 k( 384) = ( 0.2500000 0.0833333 -0.2500000), wk = 0.0011574 k( 385) = ( 0.2500000 0.0833333 -0.1666667), wk = 0.0011574 k( 386) = ( 0.2500000 0.0833333 -0.0833333), wk = 0.0011574 k( 387) = ( 0.2500000 0.1666667 -0.0000000), wk = 0.0011574 k( 388) = ( 0.2500000 0.1666667 0.0833333), wk = 0.0011574 k( 389) = ( 0.2500000 0.1666667 0.1666667), wk = 0.0011574 k( 390) = ( 0.2500000 0.1666667 0.2500000), wk = 0.0011574 k( 391) = ( 0.2500000 0.1666667 0.3333333), wk = 0.0011574 k( 392) = ( 0.2500000 0.1666667 0.4166667), wk = 0.0011574 k( 393) = ( 0.2500000 0.1666667 -0.5000000), wk = 0.0011574 k( 394) = ( 0.2500000 0.1666667 -0.4166667), wk = 0.0011574 k( 395) = ( 0.2500000 0.1666667 -0.3333333), wk = 0.0011574 k( 396) = ( 0.2500000 0.1666667 -0.2500000), wk = 0.0011574 k( 397) = ( 0.2500000 0.1666667 -0.1666667), wk = 0.0011574 k( 398) = ( 0.2500000 0.1666667 -0.0833333), wk = 0.0011574 k( 399) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0011574 k( 400) = ( 0.2500000 0.2500000 0.0833333), wk = 0.0011574 k( 401) = ( 0.2500000 0.2500000 0.1666667), wk = 0.0011574 k( 402) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0011574 k( 403) = ( 0.2500000 0.2500000 0.3333333), wk = 0.0011574 k( 404) = ( 0.2500000 0.2500000 0.4166667), wk = 0.0011574 k( 405) = ( 0.2500000 0.2500000 -0.5000000), wk = 0.0011574 k( 406) = ( 0.2500000 0.2500000 -0.4166667), wk = 0.0011574 k( 407) = ( 0.2500000 0.2500000 -0.3333333), wk = 0.0011574 k( 408) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0011574 k( 409) = ( 0.2500000 0.2500000 -0.1666667), wk = 0.0011574 k( 410) = ( 0.2500000 0.2500000 -0.0833333), wk = 0.0011574 k( 411) = ( 0.2500000 0.3333333 -0.0000000), wk = 0.0011574 k( 412) = ( 0.2500000 0.3333333 0.0833333), wk = 0.0011574 k( 413) = ( 0.2500000 0.3333333 0.1666667), wk = 0.0011574 k( 414) = ( 0.2500000 0.3333333 0.2500000), wk = 0.0011574 k( 415) = ( 0.2500000 0.3333333 0.3333333), wk = 0.0011574 k( 416) = ( 0.2500000 0.3333333 0.4166667), wk = 0.0011574 k( 417) = ( 0.2500000 0.3333333 -0.5000000), wk = 0.0011574 k( 418) = ( 0.2500000 0.3333333 -0.4166667), wk = 0.0011574 k( 419) = ( 0.2500000 0.3333333 -0.3333333), wk = 0.0011574 k( 420) = ( 0.2500000 0.3333333 -0.2500000), wk = 0.0011574 k( 421) = ( 0.2500000 0.3333333 -0.1666667), wk = 0.0011574 k( 422) = ( 0.2500000 0.3333333 -0.0833333), wk = 0.0011574 k( 423) = ( 0.2500000 0.4166667 -0.0000000), wk = 0.0011574 k( 424) = ( 0.2500000 0.4166667 0.0833333), wk = 0.0011574 k( 425) = ( 0.2500000 0.4166667 0.1666667), wk = 0.0011574 k( 426) = ( 0.2500000 0.4166667 0.2500000), wk = 0.0011574 k( 427) = ( 0.2500000 0.4166667 0.3333333), wk = 0.0011574 k( 428) = ( 0.2500000 0.4166667 0.4166667), wk = 0.0011574 k( 429) = ( 0.2500000 0.4166667 -0.5000000), wk = 0.0011574 k( 430) = ( 0.2500000 0.4166667 -0.4166667), wk = 0.0011574 k( 431) = ( 0.2500000 0.4166667 -0.3333333), wk = 0.0011574 k( 432) = ( 0.2500000 0.4166667 -0.2500000), wk = 0.0011574 k( 433) = ( 0.2500000 0.4166667 -0.1666667), wk = 0.0011574 k( 434) = ( 0.2500000 0.4166667 -0.0833333), wk = 0.0011574 k( 435) = ( 0.2500000 -0.5000000 -0.0000000), wk = 0.0011574 k( 436) = ( 0.2500000 -0.5000000 0.0833333), wk = 0.0011574 k( 437) = ( 0.2500000 -0.5000000 0.1666667), wk = 0.0011574 k( 438) = ( 0.2500000 -0.5000000 0.2500000), wk = 0.0011574 k( 439) = ( 0.2500000 -0.5000000 0.3333333), wk = 0.0011574 k( 440) = ( 0.2500000 -0.5000000 0.4166667), wk = 0.0011574 k( 441) = ( 0.2500000 -0.5000000 -0.5000000), wk = 0.0011574 k( 442) = ( 0.2500000 -0.5000000 -0.4166667), wk = 0.0011574 k( 443) = ( 0.2500000 -0.5000000 -0.3333333), wk = 0.0011574 k( 444) = ( 0.2500000 -0.5000000 -0.2500000), wk = 0.0011574 k( 445) = ( 0.2500000 -0.5000000 -0.1666667), wk = 0.0011574 k( 446) = ( 0.2500000 -0.5000000 -0.0833333), wk = 0.0011574 k( 447) = ( 0.2500000 -0.4166667 -0.0000000), wk = 0.0011574 k( 448) = ( 0.2500000 -0.4166667 0.0833333), wk = 0.0011574 k( 449) = ( 0.2500000 -0.4166667 0.1666667), wk = 0.0011574 k( 450) = ( 0.2500000 -0.4166667 0.2500000), wk = 0.0011574 k( 451) = ( 0.2500000 -0.4166667 0.3333333), wk = 0.0011574 k( 452) = ( 0.2500000 -0.4166667 0.4166667), wk = 0.0011574 k( 453) = ( 0.2500000 -0.4166667 -0.5000000), wk = 0.0011574 k( 454) = ( 0.2500000 -0.4166667 -0.4166667), wk = 0.0011574 k( 455) = ( 0.2500000 -0.4166667 -0.3333333), wk = 0.0011574 k( 456) = ( 0.2500000 -0.4166667 -0.2500000), wk = 0.0011574 k( 457) = ( 0.2500000 -0.4166667 -0.1666667), wk = 0.0011574 k( 458) = ( 0.2500000 -0.4166667 -0.0833333), wk = 0.0011574 k( 459) = ( 0.2500000 -0.3333333 -0.0000000), wk = 0.0011574 k( 460) = ( 0.2500000 -0.3333333 0.0833333), wk = 0.0011574 k( 461) = ( 0.2500000 -0.3333333 0.1666667), wk = 0.0011574 k( 462) = ( 0.2500000 -0.3333333 0.2500000), wk = 0.0011574 k( 463) = ( 0.2500000 -0.3333333 0.3333333), wk = 0.0011574 k( 464) = ( 0.2500000 -0.3333333 0.4166667), wk = 0.0011574 k( 465) = ( 0.2500000 -0.3333333 -0.5000000), wk = 0.0011574 k( 466) = ( 0.2500000 -0.3333333 -0.4166667), wk = 0.0011574 k( 467) = ( 0.2500000 -0.3333333 -0.3333333), wk = 0.0011574 k( 468) = ( 0.2500000 -0.3333333 -0.2500000), wk = 0.0011574 k( 469) = ( 0.2500000 -0.3333333 -0.1666667), wk = 0.0011574 k( 470) = ( 0.2500000 -0.3333333 -0.0833333), wk = 0.0011574 k( 471) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0011574 k( 472) = ( 0.2500000 -0.2500000 0.0833333), wk = 0.0011574 k( 473) = ( 0.2500000 -0.2500000 0.1666667), wk = 0.0011574 k( 474) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0011574 k( 475) = ( 0.2500000 -0.2500000 0.3333333), wk = 0.0011574 k( 476) = ( 0.2500000 -0.2500000 0.4166667), wk = 0.0011574 k( 477) = ( 0.2500000 -0.2500000 -0.5000000), wk = 0.0011574 k( 478) = ( 0.2500000 -0.2500000 -0.4166667), wk = 0.0011574 k( 479) = ( 0.2500000 -0.2500000 -0.3333333), wk = 0.0011574 k( 480) = ( 0.2500000 -0.2500000 -0.2500000), wk = 0.0011574 k( 481) = ( 0.2500000 -0.2500000 -0.1666667), wk = 0.0011574 k( 482) = ( 0.2500000 -0.2500000 -0.0833333), wk = 0.0011574 k( 483) = ( 0.2500000 -0.1666667 -0.0000000), wk = 0.0011574 k( 484) = ( 0.2500000 -0.1666667 0.0833333), wk = 0.0011574 k( 485) = ( 0.2500000 -0.1666667 0.1666667), wk = 0.0011574 k( 486) = ( 0.2500000 -0.1666667 0.2500000), wk = 0.0011574 k( 487) = ( 0.2500000 -0.1666667 0.3333333), wk = 0.0011574 k( 488) = ( 0.2500000 -0.1666667 0.4166667), wk = 0.0011574 k( 489) = ( 0.2500000 -0.1666667 -0.5000000), wk = 0.0011574 k( 490) = ( 0.2500000 -0.1666667 -0.4166667), wk = 0.0011574 k( 491) = ( 0.2500000 -0.1666667 -0.3333333), wk = 0.0011574 k( 492) = ( 0.2500000 -0.1666667 -0.2500000), wk = 0.0011574 k( 493) = ( 0.2500000 -0.1666667 -0.1666667), wk = 0.0011574 k( 494) = ( 0.2500000 -0.1666667 -0.0833333), wk = 0.0011574 k( 495) = ( 0.2500000 -0.0833333 0.0000000), wk = 0.0011574 k( 496) = ( 0.2500000 -0.0833333 0.0833333), wk = 0.0011574 k( 497) = ( 0.2500000 -0.0833333 0.1666667), wk = 0.0011574 k( 498) = ( 0.2500000 -0.0833333 0.2500000), wk = 0.0011574 k( 499) = ( 0.2500000 -0.0833333 0.3333333), wk = 0.0011574 k( 500) = ( 0.2500000 -0.0833333 0.4166667), wk = 0.0011574 k( 501) = ( 0.2500000 -0.0833333 -0.5000000), wk = 0.0011574 k( 502) = ( 0.2500000 -0.0833333 -0.4166667), wk = 0.0011574 k( 503) = ( 0.2500000 -0.0833333 -0.3333333), wk = 0.0011574 k( 504) = ( 0.2500000 -0.0833333 -0.2500000), wk = 0.0011574 k( 505) = ( 0.2500000 -0.0833333 -0.1666667), wk = 0.0011574 k( 506) = ( 0.2500000 -0.0833333 -0.0833333), wk = 0.0011574 k( 507) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0011574 k( 508) = ( 0.3333333 -0.0000000 0.0833333), wk = 0.0011574 k( 509) = ( 0.3333333 -0.0000000 0.1666667), wk = 0.0011574 k( 510) = ( 0.3333333 -0.0000000 0.2500000), wk = 0.0011574 k( 511) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0011574 k( 512) = ( 0.3333333 -0.0000000 0.4166667), wk = 0.0011574 k( 513) = ( 0.3333333 -0.0000000 -0.5000000), wk = 0.0011574 k( 514) = ( 0.3333333 -0.0000000 -0.4166667), wk = 0.0011574 k( 515) = ( 0.3333333 -0.0000000 -0.3333333), wk = 0.0011574 k( 516) = ( 0.3333333 -0.0000000 -0.2500000), wk = 0.0011574 k( 517) = ( 0.3333333 -0.0000000 -0.1666667), wk = 0.0011574 k( 518) = ( 0.3333333 -0.0000000 -0.0833333), wk = 0.0011574 k( 519) = ( 0.3333333 0.0833333 -0.0000000), wk = 0.0011574 k( 520) = ( 0.3333333 0.0833333 0.0833333), wk = 0.0011574 k( 521) = ( 0.3333333 0.0833333 0.1666667), wk = 0.0011574 k( 522) = ( 0.3333333 0.0833333 0.2500000), wk = 0.0011574 k( 523) = ( 0.3333333 0.0833333 0.3333333), wk = 0.0011574 k( 524) = ( 0.3333333 0.0833333 0.4166667), wk = 0.0011574 k( 525) = ( 0.3333333 0.0833333 -0.5000000), wk = 0.0011574 k( 526) = ( 0.3333333 0.0833333 -0.4166667), wk = 0.0011574 k( 527) = ( 0.3333333 0.0833333 -0.3333333), wk = 0.0011574 k( 528) = ( 0.3333333 0.0833333 -0.2500000), wk = 0.0011574 k( 529) = ( 0.3333333 0.0833333 -0.1666667), wk = 0.0011574 k( 530) = ( 0.3333333 0.0833333 -0.0833333), wk = 0.0011574 k( 531) = ( 0.3333333 0.1666667 -0.0000000), wk = 0.0011574 k( 532) = ( 0.3333333 0.1666667 0.0833333), wk = 0.0011574 k( 533) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0011574 k( 534) = ( 0.3333333 0.1666667 0.2500000), wk = 0.0011574 k( 535) = ( 0.3333333 0.1666667 0.3333333), wk = 0.0011574 k( 536) = ( 0.3333333 0.1666667 0.4166667), wk = 0.0011574 k( 537) = ( 0.3333333 0.1666667 -0.5000000), wk = 0.0011574 k( 538) = ( 0.3333333 0.1666667 -0.4166667), wk = 0.0011574 k( 539) = ( 0.3333333 0.1666667 -0.3333333), wk = 0.0011574 k( 540) = ( 0.3333333 0.1666667 -0.2500000), wk = 0.0011574 k( 541) = ( 0.3333333 0.1666667 -0.1666667), wk = 0.0011574 k( 542) = ( 0.3333333 0.1666667 -0.0833333), wk = 0.0011574 k( 543) = ( 0.3333333 0.2500000 0.0000000), wk = 0.0011574 k( 544) = ( 0.3333333 0.2500000 0.0833333), wk = 0.0011574 k( 545) = ( 0.3333333 0.2500000 0.1666667), wk = 0.0011574 k( 546) = ( 0.3333333 0.2500000 0.2500000), wk = 0.0011574 k( 547) = ( 0.3333333 0.2500000 0.3333333), wk = 0.0011574 k( 548) = ( 0.3333333 0.2500000 0.4166667), wk = 0.0011574 k( 549) = ( 0.3333333 0.2500000 -0.5000000), wk = 0.0011574 k( 550) = ( 0.3333333 0.2500000 -0.4166667), wk = 0.0011574 k( 551) = ( 0.3333333 0.2500000 -0.3333333), wk = 0.0011574 k( 552) = ( 0.3333333 0.2500000 -0.2500000), wk = 0.0011574 k( 553) = ( 0.3333333 0.2500000 -0.1666667), wk = 0.0011574 k( 554) = ( 0.3333333 0.2500000 -0.0833333), wk = 0.0011574 k( 555) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0011574 k( 556) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0011574 k( 557) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0011574 k( 558) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0011574 k( 559) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0011574 k( 560) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0011574 k( 561) = ( 0.3333333 0.3333333 -0.5000000), wk = 0.0011574 k( 562) = ( 0.3333333 0.3333333 -0.4166667), wk = 0.0011574 k( 563) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0011574 k( 564) = ( 0.3333333 0.3333333 -0.2500000), wk = 0.0011574 k( 565) = ( 0.3333333 0.3333333 -0.1666667), wk = 0.0011574 k( 566) = ( 0.3333333 0.3333333 -0.0833333), wk = 0.0011574 k( 567) = ( 0.3333333 0.4166667 0.0000000), wk = 0.0011574 k( 568) = ( 0.3333333 0.4166667 0.0833333), wk = 0.0011574 k( 569) = ( 0.3333333 0.4166667 0.1666667), wk = 0.0011574 k( 570) = ( 0.3333333 0.4166667 0.2500000), wk = 0.0011574 k( 571) = ( 0.3333333 0.4166667 0.3333333), wk = 0.0011574 k( 572) = ( 0.3333333 0.4166667 0.4166667), wk = 0.0011574 k( 573) = ( 0.3333333 0.4166667 -0.5000000), wk = 0.0011574 k( 574) = ( 0.3333333 0.4166667 -0.4166667), wk = 0.0011574 k( 575) = ( 0.3333333 0.4166667 -0.3333333), wk = 0.0011574 k( 576) = ( 0.3333333 0.4166667 -0.2500000), wk = 0.0011574 k( 577) = ( 0.3333333 0.4166667 -0.1666667), wk = 0.0011574 k( 578) = ( 0.3333333 0.4166667 -0.0833333), wk = 0.0011574 k( 579) = ( 0.3333333 -0.5000000 0.0000000), wk = 0.0011574 k( 580) = ( 0.3333333 -0.5000000 0.0833333), wk = 0.0011574 k( 581) = ( 0.3333333 -0.5000000 0.1666667), wk = 0.0011574 k( 582) = ( 0.3333333 -0.5000000 0.2500000), wk = 0.0011574 k( 583) = ( 0.3333333 -0.5000000 0.3333333), wk = 0.0011574 k( 584) = ( 0.3333333 -0.5000000 0.4166667), wk = 0.0011574 k( 585) = ( 0.3333333 -0.5000000 -0.5000000), wk = 0.0011574 k( 586) = ( 0.3333333 -0.5000000 -0.4166667), wk = 0.0011574 k( 587) = ( 0.3333333 -0.5000000 -0.3333333), wk = 0.0011574 k( 588) = ( 0.3333333 -0.5000000 -0.2500000), wk = 0.0011574 k( 589) = ( 0.3333333 -0.5000000 -0.1666667), wk = 0.0011574 k( 590) = ( 0.3333333 -0.5000000 -0.0833333), wk = 0.0011574 k( 591) = ( 0.3333333 -0.4166667 0.0000000), wk = 0.0011574 k( 592) = ( 0.3333333 -0.4166667 0.0833333), wk = 0.0011574 k( 593) = ( 0.3333333 -0.4166667 0.1666667), wk = 0.0011574 k( 594) = ( 0.3333333 -0.4166667 0.2500000), wk = 0.0011574 k( 595) = ( 0.3333333 -0.4166667 0.3333333), wk = 0.0011574 k( 596) = ( 0.3333333 -0.4166667 0.4166667), wk = 0.0011574 k( 597) = ( 0.3333333 -0.4166667 -0.5000000), wk = 0.0011574 k( 598) = ( 0.3333333 -0.4166667 -0.4166667), wk = 0.0011574 k( 599) = ( 0.3333333 -0.4166667 -0.3333333), wk = 0.0011574 k( 600) = ( 0.3333333 -0.4166667 -0.2500000), wk = 0.0011574 k( 601) = ( 0.3333333 -0.4166667 -0.1666667), wk = 0.0011574 k( 602) = ( 0.3333333 -0.4166667 -0.0833333), wk = 0.0011574 k( 603) = ( 0.3333333 -0.3333333 0.0000000), wk = 0.0011574 k( 604) = ( 0.3333333 -0.3333333 0.0833333), wk = 0.0011574 k( 605) = ( 0.3333333 -0.3333333 0.1666667), wk = 0.0011574 k( 606) = ( 0.3333333 -0.3333333 0.2500000), wk = 0.0011574 k( 607) = ( 0.3333333 -0.3333333 0.3333333), wk = 0.0011574 k( 608) = ( 0.3333333 -0.3333333 0.4166667), wk = 0.0011574 k( 609) = ( 0.3333333 -0.3333333 -0.5000000), wk = 0.0011574 k( 610) = ( 0.3333333 -0.3333333 -0.4166667), wk = 0.0011574 k( 611) = ( 0.3333333 -0.3333333 -0.3333333), wk = 0.0011574 k( 612) = ( 0.3333333 -0.3333333 -0.2500000), wk = 0.0011574 k( 613) = ( 0.3333333 -0.3333333 -0.1666667), wk = 0.0011574 k( 614) = ( 0.3333333 -0.3333333 -0.0833333), wk = 0.0011574 k( 615) = ( 0.3333333 -0.2500000 0.0000000), wk = 0.0011574 k( 616) = ( 0.3333333 -0.2500000 0.0833333), wk = 0.0011574 k( 617) = ( 0.3333333 -0.2500000 0.1666667), wk = 0.0011574 k( 618) = ( 0.3333333 -0.2500000 0.2500000), wk = 0.0011574 k( 619) = ( 0.3333333 -0.2500000 0.3333333), wk = 0.0011574 k( 620) = ( 0.3333333 -0.2500000 0.4166667), wk = 0.0011574 k( 621) = ( 0.3333333 -0.2500000 -0.5000000), wk = 0.0011574 k( 622) = ( 0.3333333 -0.2500000 -0.4166667), wk = 0.0011574 k( 623) = ( 0.3333333 -0.2500000 -0.3333333), wk = 0.0011574 k( 624) = ( 0.3333333 -0.2500000 -0.2500000), wk = 0.0011574 k( 625) = ( 0.3333333 -0.2500000 -0.1666667), wk = 0.0011574 k( 626) = ( 0.3333333 -0.2500000 -0.0833333), wk = 0.0011574 k( 627) = ( 0.3333333 -0.1666667 -0.0000000), wk = 0.0011574 k( 628) = ( 0.3333333 -0.1666667 0.0833333), wk = 0.0011574 k( 629) = ( 0.3333333 -0.1666667 0.1666667), wk = 0.0011574 k( 630) = ( 0.3333333 -0.1666667 0.2500000), wk = 0.0011574 k( 631) = ( 0.3333333 -0.1666667 0.3333333), wk = 0.0011574 k( 632) = ( 0.3333333 -0.1666667 0.4166667), wk = 0.0011574 k( 633) = ( 0.3333333 -0.1666667 -0.5000000), wk = 0.0011574 k( 634) = ( 0.3333333 -0.1666667 -0.4166667), wk = 0.0011574 k( 635) = ( 0.3333333 -0.1666667 -0.3333333), wk = 0.0011574 k( 636) = ( 0.3333333 -0.1666667 -0.2500000), wk = 0.0011574 k( 637) = ( 0.3333333 -0.1666667 -0.1666667), wk = 0.0011574 k( 638) = ( 0.3333333 -0.1666667 -0.0833333), wk = 0.0011574 k( 639) = ( 0.3333333 -0.0833333 -0.0000000), wk = 0.0011574 k( 640) = ( 0.3333333 -0.0833333 0.0833333), wk = 0.0011574 k( 641) = ( 0.3333333 -0.0833333 0.1666667), wk = 0.0011574 k( 642) = ( 0.3333333 -0.0833333 0.2500000), wk = 0.0011574 k( 643) = ( 0.3333333 -0.0833333 0.3333333), wk = 0.0011574 k( 644) = ( 0.3333333 -0.0833333 0.4166667), wk = 0.0011574 k( 645) = ( 0.3333333 -0.0833333 -0.5000000), wk = 0.0011574 k( 646) = ( 0.3333333 -0.0833333 -0.4166667), wk = 0.0011574 k( 647) = ( 0.3333333 -0.0833333 -0.3333333), wk = 0.0011574 k( 648) = ( 0.3333333 -0.0833333 -0.2500000), wk = 0.0011574 k( 649) = ( 0.3333333 -0.0833333 -0.1666667), wk = 0.0011574 k( 650) = ( 0.3333333 -0.0833333 -0.0833333), wk = 0.0011574 k( 651) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0011574 k( 652) = ( 0.4166667 -0.0000000 0.0833333), wk = 0.0011574 k( 653) = ( 0.4166667 -0.0000000 0.1666667), wk = 0.0011574 k( 654) = ( 0.4166667 -0.0000000 0.2500000), wk = 0.0011574 k( 655) = ( 0.4166667 -0.0000000 0.3333333), wk = 0.0011574 k( 656) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0011574 k( 657) = ( 0.4166667 -0.0000000 -0.5000000), wk = 0.0011574 k( 658) = ( 0.4166667 -0.0000000 -0.4166667), wk = 0.0011574 k( 659) = ( 0.4166667 -0.0000000 -0.3333333), wk = 0.0011574 k( 660) = ( 0.4166667 -0.0000000 -0.2500000), wk = 0.0011574 k( 661) = ( 0.4166667 -0.0000000 -0.1666667), wk = 0.0011574 k( 662) = ( 0.4166667 -0.0000000 -0.0833333), wk = 0.0011574 k( 663) = ( 0.4166667 0.0833333 0.0000000), wk = 0.0011574 k( 664) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0011574 k( 665) = ( 0.4166667 0.0833333 0.1666667), wk = 0.0011574 k( 666) = ( 0.4166667 0.0833333 0.2500000), wk = 0.0011574 k( 667) = ( 0.4166667 0.0833333 0.3333333), wk = 0.0011574 k( 668) = ( 0.4166667 0.0833333 0.4166667), wk = 0.0011574 k( 669) = ( 0.4166667 0.0833333 -0.5000000), wk = 0.0011574 k( 670) = ( 0.4166667 0.0833333 -0.4166667), wk = 0.0011574 k( 671) = ( 0.4166667 0.0833333 -0.3333333), wk = 0.0011574 k( 672) = ( 0.4166667 0.0833333 -0.2500000), wk = 0.0011574 k( 673) = ( 0.4166667 0.0833333 -0.1666667), wk = 0.0011574 k( 674) = ( 0.4166667 0.0833333 -0.0833333), wk = 0.0011574 k( 675) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0011574 k( 676) = ( 0.4166667 0.1666667 0.0833333), wk = 0.0011574 k( 677) = ( 0.4166667 0.1666667 0.1666667), wk = 0.0011574 k( 678) = ( 0.4166667 0.1666667 0.2500000), wk = 0.0011574 k( 679) = ( 0.4166667 0.1666667 0.3333333), wk = 0.0011574 k( 680) = ( 0.4166667 0.1666667 0.4166667), wk = 0.0011574 k( 681) = ( 0.4166667 0.1666667 -0.5000000), wk = 0.0011574 k( 682) = ( 0.4166667 0.1666667 -0.4166667), wk = 0.0011574 k( 683) = ( 0.4166667 0.1666667 -0.3333333), wk = 0.0011574 k( 684) = ( 0.4166667 0.1666667 -0.2500000), wk = 0.0011574 k( 685) = ( 0.4166667 0.1666667 -0.1666667), wk = 0.0011574 k( 686) = ( 0.4166667 0.1666667 -0.0833333), wk = 0.0011574 k( 687) = ( 0.4166667 0.2500000 -0.0000000), wk = 0.0011574 k( 688) = ( 0.4166667 0.2500000 0.0833333), wk = 0.0011574 k( 689) = ( 0.4166667 0.2500000 0.1666667), wk = 0.0011574 k( 690) = ( 0.4166667 0.2500000 0.2500000), wk = 0.0011574 k( 691) = ( 0.4166667 0.2500000 0.3333333), wk = 0.0011574 k( 692) = ( 0.4166667 0.2500000 0.4166667), wk = 0.0011574 k( 693) = ( 0.4166667 0.2500000 -0.5000000), wk = 0.0011574 k( 694) = ( 0.4166667 0.2500000 -0.4166667), wk = 0.0011574 k( 695) = ( 0.4166667 0.2500000 -0.3333333), wk = 0.0011574 k( 696) = ( 0.4166667 0.2500000 -0.2500000), wk = 0.0011574 k( 697) = ( 0.4166667 0.2500000 -0.1666667), wk = 0.0011574 k( 698) = ( 0.4166667 0.2500000 -0.0833333), wk = 0.0011574 k( 699) = ( 0.4166667 0.3333333 0.0000000), wk = 0.0011574 k( 700) = ( 0.4166667 0.3333333 0.0833333), wk = 0.0011574 k( 701) = ( 0.4166667 0.3333333 0.1666667), wk = 0.0011574 k( 702) = ( 0.4166667 0.3333333 0.2500000), wk = 0.0011574 k( 703) = ( 0.4166667 0.3333333 0.3333333), wk = 0.0011574 k( 704) = ( 0.4166667 0.3333333 0.4166667), wk = 0.0011574 k( 705) = ( 0.4166667 0.3333333 -0.5000000), wk = 0.0011574 k( 706) = ( 0.4166667 0.3333333 -0.4166667), wk = 0.0011574 k( 707) = ( 0.4166667 0.3333333 -0.3333333), wk = 0.0011574 k( 708) = ( 0.4166667 0.3333333 -0.2500000), wk = 0.0011574 k( 709) = ( 0.4166667 0.3333333 -0.1666667), wk = 0.0011574 k( 710) = ( 0.4166667 0.3333333 -0.0833333), wk = 0.0011574 k( 711) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0011574 k( 712) = ( 0.4166667 0.4166667 0.0833333), wk = 0.0011574 k( 713) = ( 0.4166667 0.4166667 0.1666667), wk = 0.0011574 k( 714) = ( 0.4166667 0.4166667 0.2500000), wk = 0.0011574 k( 715) = ( 0.4166667 0.4166667 0.3333333), wk = 0.0011574 k( 716) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0011574 k( 717) = ( 0.4166667 0.4166667 -0.5000000), wk = 0.0011574 k( 718) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0011574 k( 719) = ( 0.4166667 0.4166667 -0.3333333), wk = 0.0011574 k( 720) = ( 0.4166667 0.4166667 -0.2500000), wk = 0.0011574 k( 721) = ( 0.4166667 0.4166667 -0.1666667), wk = 0.0011574 k( 722) = ( 0.4166667 0.4166667 -0.0833333), wk = 0.0011574 k( 723) = ( 0.4166667 -0.5000000 0.0000000), wk = 0.0011574 k( 724) = ( 0.4166667 -0.5000000 0.0833333), wk = 0.0011574 k( 725) = ( 0.4166667 -0.5000000 0.1666667), wk = 0.0011574 k( 726) = ( 0.4166667 -0.5000000 0.2500000), wk = 0.0011574 k( 727) = ( 0.4166667 -0.5000000 0.3333333), wk = 0.0011574 k( 728) = ( 0.4166667 -0.5000000 0.4166667), wk = 0.0011574 k( 729) = ( 0.4166667 -0.5000000 -0.5000000), wk = 0.0011574 k( 730) = ( 0.4166667 -0.5000000 -0.4166667), wk = 0.0011574 k( 731) = ( 0.4166667 -0.5000000 -0.3333333), wk = 0.0011574 k( 732) = ( 0.4166667 -0.5000000 -0.2500000), wk = 0.0011574 k( 733) = ( 0.4166667 -0.5000000 -0.1666667), wk = 0.0011574 k( 734) = ( 0.4166667 -0.5000000 -0.0833333), wk = 0.0011574 k( 735) = ( 0.4166667 -0.4166667 0.0000000), wk = 0.0011574 k( 736) = ( 0.4166667 -0.4166667 0.0833333), wk = 0.0011574 k( 737) = ( 0.4166667 -0.4166667 0.1666667), wk = 0.0011574 k( 738) = ( 0.4166667 -0.4166667 0.2500000), wk = 0.0011574 k( 739) = ( 0.4166667 -0.4166667 0.3333333), wk = 0.0011574 k( 740) = ( 0.4166667 -0.4166667 0.4166667), wk = 0.0011574 k( 741) = ( 0.4166667 -0.4166667 -0.5000000), wk = 0.0011574 k( 742) = ( 0.4166667 -0.4166667 -0.4166667), wk = 0.0011574 k( 743) = ( 0.4166667 -0.4166667 -0.3333333), wk = 0.0011574 k( 744) = ( 0.4166667 -0.4166667 -0.2500000), wk = 0.0011574 k( 745) = ( 0.4166667 -0.4166667 -0.1666667), wk = 0.0011574 k( 746) = ( 0.4166667 -0.4166667 -0.0833333), wk = 0.0011574 k( 747) = ( 0.4166667 -0.3333333 0.0000000), wk = 0.0011574 k( 748) = ( 0.4166667 -0.3333333 0.0833333), wk = 0.0011574 k( 749) = ( 0.4166667 -0.3333333 0.1666667), wk = 0.0011574 k( 750) = ( 0.4166667 -0.3333333 0.2500000), wk = 0.0011574 k( 751) = ( 0.4166667 -0.3333333 0.3333333), wk = 0.0011574 k( 752) = ( 0.4166667 -0.3333333 0.4166667), wk = 0.0011574 k( 753) = ( 0.4166667 -0.3333333 -0.5000000), wk = 0.0011574 k( 754) = ( 0.4166667 -0.3333333 -0.4166667), wk = 0.0011574 k( 755) = ( 0.4166667 -0.3333333 -0.3333333), wk = 0.0011574 k( 756) = ( 0.4166667 -0.3333333 -0.2500000), wk = 0.0011574 k( 757) = ( 0.4166667 -0.3333333 -0.1666667), wk = 0.0011574 k( 758) = ( 0.4166667 -0.3333333 -0.0833333), wk = 0.0011574 k( 759) = ( 0.4166667 -0.2500000 -0.0000000), wk = 0.0011574 k( 760) = ( 0.4166667 -0.2500000 0.0833333), wk = 0.0011574 k( 761) = ( 0.4166667 -0.2500000 0.1666667), wk = 0.0011574 k( 762) = ( 0.4166667 -0.2500000 0.2500000), wk = 0.0011574 k( 763) = ( 0.4166667 -0.2500000 0.3333333), wk = 0.0011574 k( 764) = ( 0.4166667 -0.2500000 0.4166667), wk = 0.0011574 k( 765) = ( 0.4166667 -0.2500000 -0.5000000), wk = 0.0011574 k( 766) = ( 0.4166667 -0.2500000 -0.4166667), wk = 0.0011574 k( 767) = ( 0.4166667 -0.2500000 -0.3333333), wk = 0.0011574 k( 768) = ( 0.4166667 -0.2500000 -0.2500000), wk = 0.0011574 k( 769) = ( 0.4166667 -0.2500000 -0.1666667), wk = 0.0011574 k( 770) = ( 0.4166667 -0.2500000 -0.0833333), wk = 0.0011574 k( 771) = ( 0.4166667 -0.1666667 -0.0000000), wk = 0.0011574 k( 772) = ( 0.4166667 -0.1666667 0.0833333), wk = 0.0011574 k( 773) = ( 0.4166667 -0.1666667 0.1666667), wk = 0.0011574 k( 774) = ( 0.4166667 -0.1666667 0.2500000), wk = 0.0011574 k( 775) = ( 0.4166667 -0.1666667 0.3333333), wk = 0.0011574 k( 776) = ( 0.4166667 -0.1666667 0.4166667), wk = 0.0011574 k( 777) = ( 0.4166667 -0.1666667 -0.5000000), wk = 0.0011574 k( 778) = ( 0.4166667 -0.1666667 -0.4166667), wk = 0.0011574 k( 779) = ( 0.4166667 -0.1666667 -0.3333333), wk = 0.0011574 k( 780) = ( 0.4166667 -0.1666667 -0.2500000), wk = 0.0011574 k( 781) = ( 0.4166667 -0.1666667 -0.1666667), wk = 0.0011574 k( 782) = ( 0.4166667 -0.1666667 -0.0833333), wk = 0.0011574 k( 783) = ( 0.4166667 -0.0833333 -0.0000000), wk = 0.0011574 k( 784) = ( 0.4166667 -0.0833333 0.0833333), wk = 0.0011574 k( 785) = ( 0.4166667 -0.0833333 0.1666667), wk = 0.0011574 k( 786) = ( 0.4166667 -0.0833333 0.2500000), wk = 0.0011574 k( 787) = ( 0.4166667 -0.0833333 0.3333333), wk = 0.0011574 k( 788) = ( 0.4166667 -0.0833333 0.4166667), wk = 0.0011574 k( 789) = ( 0.4166667 -0.0833333 -0.5000000), wk = 0.0011574 k( 790) = ( 0.4166667 -0.0833333 -0.4166667), wk = 0.0011574 k( 791) = ( 0.4166667 -0.0833333 -0.3333333), wk = 0.0011574 k( 792) = ( 0.4166667 -0.0833333 -0.2500000), wk = 0.0011574 k( 793) = ( 0.4166667 -0.0833333 -0.1666667), wk = 0.0011574 k( 794) = ( 0.4166667 -0.0833333 -0.0833333), wk = 0.0011574 k( 795) = ( -0.5000000 0.0000000 0.0000000), wk = 0.0005787 k( 796) = ( -0.5000000 0.0000000 0.0833333), wk = 0.0011574 k( 797) = ( -0.5000000 0.0000000 0.1666667), wk = 0.0011574 k( 798) = ( -0.5000000 0.0000000 0.2500000), wk = 0.0011574 k( 799) = ( -0.5000000 0.0000000 0.3333333), wk = 0.0011574 k( 800) = ( -0.5000000 0.0000000 0.4166667), wk = 0.0011574 k( 801) = ( -0.5000000 0.0000000 -0.5000000), wk = 0.0005787 k( 802) = ( -0.5000000 0.0833333 -0.0000000), wk = 0.0011574 k( 803) = ( -0.5000000 0.0833333 0.0833333), wk = 0.0011574 k( 804) = ( -0.5000000 0.0833333 0.1666667), wk = 0.0011574 k( 805) = ( -0.5000000 0.0833333 0.2500000), wk = 0.0011574 k( 806) = ( -0.5000000 0.0833333 0.3333333), wk = 0.0011574 k( 807) = ( -0.5000000 0.0833333 0.4166667), wk = 0.0011574 k( 808) = ( -0.5000000 0.0833333 -0.5000000), wk = 0.0011574 k( 809) = ( -0.5000000 0.0833333 -0.4166667), wk = 0.0011574 k( 810) = ( -0.5000000 0.0833333 -0.3333333), wk = 0.0011574 k( 811) = ( -0.5000000 0.0833333 -0.2500000), wk = 0.0011574 k( 812) = ( -0.5000000 0.0833333 -0.1666667), wk = 0.0011574 k( 813) = ( -0.5000000 0.0833333 -0.0833333), wk = 0.0011574 k( 814) = ( -0.5000000 0.1666667 0.0000000), wk = 0.0011574 k( 815) = ( -0.5000000 0.1666667 0.0833333), wk = 0.0011574 k( 816) = ( -0.5000000 0.1666667 0.1666667), wk = 0.0011574 k( 817) = ( -0.5000000 0.1666667 0.2500000), wk = 0.0011574 k( 818) = ( -0.5000000 0.1666667 0.3333333), wk = 0.0011574 k( 819) = ( -0.5000000 0.1666667 0.4166667), wk = 0.0011574 k( 820) = ( -0.5000000 0.1666667 -0.5000000), wk = 0.0011574 k( 821) = ( -0.5000000 0.1666667 -0.4166667), wk = 0.0011574 k( 822) = ( -0.5000000 0.1666667 -0.3333333), wk = 0.0011574 k( 823) = ( -0.5000000 0.1666667 -0.2500000), wk = 0.0011574 k( 824) = ( -0.5000000 0.1666667 -0.1666667), wk = 0.0011574 k( 825) = ( -0.5000000 0.1666667 -0.0833333), wk = 0.0011574 k( 826) = ( -0.5000000 0.2500000 -0.0000000), wk = 0.0011574 k( 827) = ( -0.5000000 0.2500000 0.0833333), wk = 0.0011574 k( 828) = ( -0.5000000 0.2500000 0.1666667), wk = 0.0011574 k( 829) = ( -0.5000000 0.2500000 0.2500000), wk = 0.0011574 k( 830) = ( -0.5000000 0.2500000 0.3333333), wk = 0.0011574 k( 831) = ( -0.5000000 0.2500000 0.4166667), wk = 0.0011574 k( 832) = ( -0.5000000 0.2500000 -0.5000000), wk = 0.0011574 k( 833) = ( -0.5000000 0.2500000 -0.4166667), wk = 0.0011574 k( 834) = ( -0.5000000 0.2500000 -0.3333333), wk = 0.0011574 k( 835) = ( -0.5000000 0.2500000 -0.2500000), wk = 0.0011574 k( 836) = ( -0.5000000 0.2500000 -0.1666667), wk = 0.0011574 k( 837) = ( -0.5000000 0.2500000 -0.0833333), wk = 0.0011574 k( 838) = ( -0.5000000 0.3333333 -0.0000000), wk = 0.0011574 k( 839) = ( -0.5000000 0.3333333 0.0833333), wk = 0.0011574 k( 840) = ( -0.5000000 0.3333333 0.1666667), wk = 0.0011574 k( 841) = ( -0.5000000 0.3333333 0.2500000), wk = 0.0011574 k( 842) = ( -0.5000000 0.3333333 0.3333333), wk = 0.0011574 k( 843) = ( -0.5000000 0.3333333 0.4166667), wk = 0.0011574 k( 844) = ( -0.5000000 0.3333333 -0.5000000), wk = 0.0011574 k( 845) = ( -0.5000000 0.3333333 -0.4166667), wk = 0.0011574 k( 846) = ( -0.5000000 0.3333333 -0.3333333), wk = 0.0011574 k( 847) = ( -0.5000000 0.3333333 -0.2500000), wk = 0.0011574 k( 848) = ( -0.5000000 0.3333333 -0.1666667), wk = 0.0011574 k( 849) = ( -0.5000000 0.3333333 -0.0833333), wk = 0.0011574 k( 850) = ( -0.5000000 0.4166667 -0.0000000), wk = 0.0011574 k( 851) = ( -0.5000000 0.4166667 0.0833333), wk = 0.0011574 k( 852) = ( -0.5000000 0.4166667 0.1666667), wk = 0.0011574 k( 853) = ( -0.5000000 0.4166667 0.2500000), wk = 0.0011574 k( 854) = ( -0.5000000 0.4166667 0.3333333), wk = 0.0011574 k( 855) = ( -0.5000000 0.4166667 0.4166667), wk = 0.0011574 k( 856) = ( -0.5000000 0.4166667 -0.5000000), wk = 0.0011574 k( 857) = ( -0.5000000 0.4166667 -0.4166667), wk = 0.0011574 k( 858) = ( -0.5000000 0.4166667 -0.3333333), wk = 0.0011574 k( 859) = ( -0.5000000 0.4166667 -0.2500000), wk = 0.0011574 k( 860) = ( -0.5000000 0.4166667 -0.1666667), wk = 0.0011574 k( 861) = ( -0.5000000 0.4166667 -0.0833333), wk = 0.0011574 k( 862) = ( -0.5000000 -0.5000000 0.0000000), wk = 0.0005787 k( 863) = ( -0.5000000 -0.5000000 0.0833333), wk = 0.0011574 k( 864) = ( -0.5000000 -0.5000000 0.1666667), wk = 0.0011574 k( 865) = ( -0.5000000 -0.5000000 0.2500000), wk = 0.0011574 k( 866) = ( -0.5000000 -0.5000000 0.3333333), wk = 0.0011574 k( 867) = ( -0.5000000 -0.5000000 0.4166667), wk = 0.0011574 k( 868) = ( -0.5000000 -0.5000000 -0.5000000), wk = 0.0005787 Dense grid: 11809 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 4207 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 44, 16) NL pseudopotentials 0.01 Mb ( 22, 28) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 327) G-vector shells 0.00 Mb ( 288) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.04 Mb ( 44, 64) Each subspace H/S matrix 0.00 Mb ( 16, 16) Each matrix 0.01 Mb ( 28, 2, 16) Arrays for rho mixing 0.39 Mb ( 3200, 8) Check: negative/imaginary core charge= -0.000012 0.000000 Initial potential from superposition of free atoms starting charge 7.99992, renormalised to 8.00000 Starting wfc are 16 randomized atomic wfcs total cpu time spent up to now is 4.4 secs per-process dynamical memory: 15.0 Mb Self-consistent Calculation iteration # 1 ecut= 41.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 4.0 total cpu time spent up to now is 23.1 secs total energy = -24.82297420 Ry Harris-Foulkes estimate = -24.93710491 Ry estimated scf accuracy < 0.19676764 Ry iteration # 2 ecut= 41.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.46E-03, avg # of iterations = 2.0 total cpu time spent up to now is 33.4 secs total energy = -24.85197677 Ry Harris-Foulkes estimate = -24.85204378 Ry estimated scf accuracy < 0.00225371 Ry iteration # 3 ecut= 41.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.82E-05, avg # of iterations = 3.2 total cpu time spent up to now is 47.3 secs total energy = -24.85220872 Ry Harris-Foulkes estimate = -24.85218809 Ry estimated scf accuracy < 0.00014984 Ry iteration # 4 ecut= 41.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.87E-06, avg # of iterations = 1.8 total cpu time spent up to now is 57.1 secs total energy = -24.85221413 Ry Harris-Foulkes estimate = -24.85221353 Ry estimated scf accuracy < 0.00000045 Ry iteration # 5 ecut= 41.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 5.66E-09, avg # of iterations = 2.0 total cpu time spent up to now is 69.3 secs total energy = -24.85221428 Ry Harris-Foulkes estimate = -24.85221426 Ry estimated scf accuracy < 0.00000002 Ry iteration # 6 ecut= 41.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.78E-10, avg # of iterations = 2.0 total cpu time spent up to now is 82.9 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 523 PWs) bands (ev): -12.6213 -12.6213 0.5072 0.5072 4.1129 4.1129 4.1221 4.1221 11.3106 11.3106 15.5666 15.5666 15.5744 15.5744 18.6292 18.6292 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.1456 ( 523 PWs) bands (ev): -12.4526 -12.4526 0.6778 0.6778 3.4646 3.4646 3.7766 3.7766 11.5442 11.5442 15.6525 15.6525 16.2693 16.2693 18.0586 18.0586 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.2911 ( 521 PWs) bands (ev): -11.9487 -11.9487 1.1802 1.1802 1.8237 1.8237 2.9786 2.9786 12.2276 12.2276 15.6293 15.6293 16.5893 16.5893 18.1193 18.1193 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.4367 ( 515 PWs) bands (ev): -11.1162 -11.1162 -0.3086 -0.3086 2.0296 2.0296 2.0927 2.0927 13.1081 13.1081 14.7386 14.7386 15.4996 15.4996 20.6687 20.6687 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.5823 ( 520 PWs) bands (ev): -9.9687 -9.9687 -2.5392 -2.5392 1.3541 1.3541 3.1504 3.1504 11.9196 11.9196 15.0722 15.0722 15.4684 15.4684 23.4678 23.4683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.7279 ( 520 PWs) bands (ev): -8.5386 -8.5386 -4.6734 -4.6734 0.8778 0.8778 4.4128 4.4128 9.9912 9.9912 14.9360 14.9360 17.3010 17.3010 21.5277 21.5277 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000-0.8734 ( 528 PWs) bands (ev): -7.2343 -7.2343 -6.2204 -6.2204 0.7139 0.7139 5.1564 5.1564 8.9974 8.9974 14.8623 14.8623 19.4088 19.4088 19.5469 19.5469 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1310-0.0634 ( 523 PWs) bands (ev): -12.4526 -12.4526 0.6778 0.6778 3.4646 3.4646 3.7766 3.7766 11.5442 11.5442 15.6525 15.6525 16.2693 16.2693 18.0586 18.0586 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1310 0.0822 ( 524 PWs) bands (ev): -12.4463 -12.4463 0.6225 0.6225 3.4701 3.4701 3.7711 3.7711 11.6588 11.6588 15.6448 15.6448 16.2709 16.2709 18.0548 18.0548 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1310 0.2277 ( 521 PWs) bands (ev): -12.1040 -12.1040 0.9110 0.9110 2.4318 2.4318 3.0891 3.0891 12.2274 12.2274 15.9412 15.9412 17.0511 17.0511 17.1765 17.1765 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1310 0.3733 ( 521 PWs) bands (ev): -11.4307 -11.4307 0.6861 0.6861 1.5572 1.5572 2.0912 2.0912 13.1496 13.1496 15.3572 15.3572 16.2527 16.2527 18.7197 18.7197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1310 0.5189 ( 522 PWs) bands (ev): -10.4369 -10.4369 -1.4129 -1.4129 1.2021 1.2021 2.5143 2.5143 12.8555 12.8555 15.0983 15.0983 16.0596 16.0596 20.7996 20.7996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1310 0.6645 ( 518 PWs) bands (ev): -9.1433 -9.1433 -3.5709 -3.5709 0.5645 0.5645 3.7402 3.7402 10.9367 10.9367 15.7452 15.7452 16.8439 16.8439 21.6545 21.6545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1310-0.9369 ( 519 PWs) bands (ev): -7.6281 -7.6281 -5.5501 -5.5501 0.2335 0.2335 4.9684 4.9684 9.2882 9.2882 15.6100 15.6100 18.7724 18.7724 20.1990 20.1990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1310-0.7913 ( 519 PWs) bands (ev): -7.6676 -7.6676 -5.5125 -5.5125 0.2320 0.2320 5.1508 5.1508 9.1371 9.1371 15.6031 15.6031 18.0589 18.0589 20.5827 20.5827 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1310-0.6457 ( 520 PWs) bands (ev): -9.1858 -9.1858 -3.5339 -3.5339 0.5603 0.5603 4.0525 4.0525 10.7148 10.7148 15.6781 15.6781 16.0957 16.0957 21.8401 21.8401 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1310-0.5001 ( 519 PWs) bands (ev): -10.4745 -10.4745 -1.3841 -1.3841 1.1963 1.1963 2.8195 2.8195 12.6494 12.6494 14.4372 14.4372 16.0298 16.0298 20.9106 20.9106 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1310-0.3546 ( 519 PWs) bands (ev): -11.4601 -11.4601 0.7043 0.7043 1.8038 1.8038 2.0867 2.0867 12.6607 12.6607 15.2066 15.2066 16.2535 16.2535 18.7478 18.7478 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1310-0.2090 ( 523 PWs) bands (ev): -12.1226 -12.1226 1.0705 1.0705 2.4349 2.4349 3.0905 3.0905 11.8946 11.8946 15.9376 15.9376 17.0409 17.0409 17.1778 17.1778 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2621-0.1268 ( 521 PWs) bands (ev): -11.9487 -11.9487 1.1802 1.1802 1.8237 1.8237 2.9786 2.9786 12.2276 12.2276 15.6293 15.6293 16.5893 16.5893 18.1193 18.1193 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2621 0.0188 ( 521 PWs) bands (ev): -12.1040 -12.1040 0.9110 0.9110 2.4318 2.4318 3.0891 3.0891 12.2274 12.2274 15.9412 15.9412 17.0511 17.0511 17.1765 17.1765 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2621 0.1643 ( 518 PWs) bands (ev): -11.9246 -11.9246 0.9797 0.9797 1.8444 1.8444 2.9600 2.9600 12.6662 12.6662 15.5724 15.5724 16.5015 16.5015 18.1216 18.1216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2621 0.3099 ( 516 PWs) bands (ev): -11.4139 -11.4139 0.7179 0.7179 1.4231 1.4231 2.0651 2.0651 13.4811 13.4811 15.1833 15.1833 16.1622 16.1622 18.7683 18.7683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2621 0.4555 ( 522 PWs) bands (ev): -10.5805 -10.5805 -0.6322 -0.6322 0.7009 0.7009 2.1907 2.1907 13.2562 13.2562 15.0825 15.0825 17.3726 17.3726 18.9098 18.9098 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2621 0.6011 ( 526 PWs) bands (ev): -9.4405 -9.4405 -2.4109 -2.4109 -0.3405 -0.3405 3.2862 3.2862 11.5482 11.5482 16.5566 16.5566 17.7687 17.7687 20.0930 20.0930 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2621-1.0003 ( 518 PWs) bands (ev): -8.0314 -8.0314 -4.3666 -4.3666 -0.9119 -0.9119 4.6080 4.6080 9.8106 9.8106 17.4877 17.4877 18.1650 18.1650 20.5994 20.5994 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2621-0.8547 ( 520 PWs) bands (ev): -6.8035 -6.8035 -5.8014 -5.8014 -1.0989 -1.0989 5.6666 5.6666 8.6564 8.6564 17.4480 17.4480 18.7382 18.7382 19.5705 19.5705 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2621-0.7091 ( 518 PWs) bands (ev): -8.1124 -8.1124 -4.2955 -4.2955 -0.9186 -0.9186 5.1417 5.1417 9.4341 9.4341 17.0677 17.0677 17.5522 17.5522 20.0152 20.0152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2621-0.5635 ( 517 PWs) bands (ev): -9.5172 -9.5172 -2.3574 -2.3574 -0.3479 -0.3479 3.8817 3.8817 11.2367 11.2367 15.3163 15.3163 17.7035 17.7035 20.3808 20.3808 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2621-0.4180 ( 517 PWs) bands (ev): -10.6448 -10.6448 -0.6174 -0.6174 0.7100 0.7100 2.7146 2.7146 12.8971 12.8971 14.1888 14.1888 17.4373 17.4373 18.9417 18.9417 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2621-0.2724 ( 519 PWs) bands (ev): -11.4601 -11.4601 0.7043 0.7043 1.8038 1.8038 2.0867 2.0867 12.6607 12.6607 15.2066 15.2066 16.2535 16.2535 18.7478 18.7478 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3931-0.1902 ( 515 PWs) bands (ev): -11.1162 -11.1162 -0.3086 -0.3086 2.0296 2.0296 2.0927 2.0927 13.1081 13.1081 14.7386 14.7386 15.4996 15.4996 20.6687 20.6687 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3931-0.0447 ( 521 PWs) bands (ev): -11.4307 -11.4307 0.6861 0.6861 1.5572 1.5572 2.0912 2.0912 13.1496 13.1496 15.3572 15.3572 16.2527 16.2527 18.7197 18.7197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3931 0.1009 ( 516 PWs) bands (ev): -11.4139 -11.4139 0.7179 0.7179 1.4231 1.4231 2.0651 2.0651 13.4811 13.4811 15.1833 15.1833 16.1622 16.1622 18.7683 18.7683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3931 0.2465 ( 515 PWs) bands (ev): -11.0672 -11.0672 -0.2610 -0.2610 1.6333 1.6333 2.0599 2.0599 13.8557 13.8557 14.5479 14.5479 15.3903 15.3903 20.6683 20.6683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3931 0.3921 ( 521 PWs) bands (ev): -10.3977 -10.3977 -1.3424 -1.3424 1.1545 1.1545 2.2039 2.2039 12.7746 12.7746 15.3257 15.3257 15.9821 15.9821 21.0427 21.0427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3931 0.5376 ( 525 PWs) bands (ev): -9.4194 -9.4194 -2.3385 -2.3385 -0.3988 -0.3988 3.1181 3.1181 11.3701 11.3701 16.7028 16.7028 17.5013 17.5013 20.6412 20.6412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3931-1.0637 ( 523 PWs) bands (ev): -8.1602 -8.1602 -3.4212 -3.4212 -1.8755 -1.8755 4.3349 4.3349 9.9356 9.9356 17.7499 17.7499 19.3569 19.3569 20.2532 20.2532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3931-0.9181 ( 519 PWs) bands (ev): -6.7125 -6.7125 -4.9099 -4.9099 -2.5549 -2.5549 5.7270 5.7270 8.5478 8.5478 17.9689 17.9689 19.8830 19.8830 20.1320 20.1320 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3931-0.7725 ( 518 PWs) bands (ev): -6.8130 -6.8130 -4.8243 -4.8243 -2.5550 -2.5550 6.2979 6.2979 8.1424 8.1424 18.2359 18.2359 18.6063 18.6063 20.0439 20.0439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3931-0.6270 ( 513 PWs) bands (ev): -8.2695 -8.2695 -3.3805 -3.3805 -1.8499 -1.8499 5.1383 5.1383 9.5934 9.5934 16.7720 16.7720 19.2838 19.2838 19.8452 19.8452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3931-0.4814 ( 517 PWs) bands (ev): -9.5172 -9.5172 -2.3574 -2.3574 -0.3479 -0.3479 3.8817 3.8817 11.2367 11.2367 15.3163 15.3163 17.7035 17.7035 20.3808 20.3808 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3931-0.3358 ( 519 PWs) bands (ev): -10.4745 -10.4745 -1.3841 -1.3841 1.1963 1.1963 2.8195 2.8195 12.6494 12.6494 14.4372 14.4372 16.0298 16.0298 20.9106 20.9106 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5242-0.2536 ( 520 PWs) bands (ev): -9.9687 -9.9687 -2.5392 -2.5392 1.3541 1.3541 3.1504 3.1504 11.9196 11.9196 15.0722 15.0722 15.4684 15.4684 23.4679 23.4683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5242-0.1081 ( 522 PWs) bands (ev): -10.4369 -10.4369 -1.4129 -1.4129 1.2021 1.2021 2.5143 2.5143 12.8555 12.8555 15.0983 15.0983 16.0596 16.0596 20.7996 20.7996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5242 0.0375 ( 522 PWs) bands (ev): -10.5805 -10.5805 -0.6322 -0.6322 0.7009 0.7009 2.1907 2.1907 13.2562 13.2562 15.0825 15.0825 17.3726 17.3726 18.9098 18.9098 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5242 0.1831 ( 521 PWs) bands (ev): -10.3977 -10.3977 -1.3424 -1.3424 1.1545 1.1545 2.2039 2.2039 12.7746 12.7746 15.3257 15.3257 15.9821 15.9821 21.0427 21.0427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5242 0.3287 ( 523 PWs) bands (ev): -9.8938 -9.8938 -2.4652 -2.4652 1.3089 1.3089 2.5622 2.5622 11.6944 11.6944 14.8172 14.8172 16.5199 16.5199 23.4764 23.4764 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5242 0.4742 ( 523 PWs) bands (ev): -9.0819 -9.0819 -3.4721 -3.4721 0.5026 0.5026 3.2545 3.2545 10.5246 10.5246 15.3826 15.3826 17.6553 17.6553 23.1680 23.1680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5242-1.1271 ( 522 PWs) bands (ev): -7.9895 -7.9895 -4.2569 -4.2569 -0.9972 -0.9972 4.2422 4.2422 9.4508 9.4508 17.0337 17.0337 18.4069 18.4069 22.3567 22.3567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5242-0.9815 ( 522 PWs) bands (ev): -6.6868 -6.6868 -4.8257 -4.8257 -2.6360 -2.6360 5.4499 5.4499 8.4641 8.4641 18.0282 18.0282 19.0028 19.0028 22.4708 22.4708 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5242-0.8359 ( 517 PWs) bands (ev): -5.5417 -5.5417 -5.4434 -5.4434 -3.5065 -3.5065 6.7373 6.7373 7.4875 7.4875 17.7529 17.7529 19.6185 19.6185 22.1046 22.1046 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5242-0.6904 ( 518 PWs) bands (ev): -6.8130 -6.8130 -4.8243 -4.8243 -2.5550 -2.5550 6.2979 6.2979 8.1424 8.1424 18.2359 18.2359 18.6063 18.6063 20.0439 20.0439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5242-0.5448 ( 518 PWs) bands (ev): -8.1124 -8.1124 -4.2955 -4.2955 -0.9186 -0.9186 5.1417 5.1417 9.4341 9.4341 17.0677 17.0677 17.5522 17.5522 20.0152 20.0152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5242-0.3992 ( 520 PWs) bands (ev): -9.1858 -9.1858 -3.5339 -3.5339 0.5603 0.5603 4.0525 4.0525 10.7148 10.7148 15.6781 15.6781 16.0957 16.0957 21.8401 21.8401 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6552-0.3170 ( 520 PWs) bands (ev): -8.5386 -8.5386 -4.6734 -4.6734 0.8778 0.8778 4.4128 4.4128 9.9912 9.9912 14.9360 14.9360 17.3010 17.3010 21.5277 21.5277 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6552-0.1715 ( 518 PWs) bands (ev): -9.1433 -9.1433 -3.5709 -3.5709 0.5645 0.5645 3.7402 3.7402 10.9367 10.9367 15.7452 15.7452 16.8439 16.8439 21.6545 21.6545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6552-0.0259 ( 526 PWs) bands (ev): -9.4405 -9.4405 -2.4109 -2.4109 -0.3405 -0.3405 3.2862 3.2862 11.5482 11.5482 16.5566 16.5566 17.7687 17.7687 20.0930 20.0930 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6552 0.1197 ( 525 PWs) bands (ev): -9.4194 -9.4194 -2.3385 -2.3385 -0.3988 -0.3988 3.1181 3.1181 11.3701 11.3701 16.7028 16.7028 17.5013 17.5013 20.6412 20.6412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6552 0.2653 ( 523 PWs) bands (ev): -9.0819 -9.0819 -3.4721 -3.4721 0.5026 0.5026 3.2545 3.2545 10.5246 10.5246 15.3826 15.3826 17.6553 17.6553 23.1680 23.1680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6552 0.4108 ( 526 PWs) bands (ev): -8.4422 -8.4422 -4.5825 -4.5825 0.8246 0.8246 3.6718 3.6718 9.5506 9.5506 14.5592 14.5592 18.7092 18.7092 23.4614 23.4614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6552-1.1905 ( 530 PWs) bands (ev): -7.5461 -7.5461 -5.4423 -5.4423 0.1651 0.1651 4.2888 4.2888 8.8042 8.8042 15.1954 15.1954 19.4253 19.4253 22.7659 22.7659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6552-1.0449 ( 524 PWs) bands (ev): -6.6991 -6.6991 -5.7324 -5.7324 -1.1886 -1.1886 4.9441 4.9441 8.4529 8.4529 16.9438 16.9438 18.8847 18.8847 22.8722 22.8722 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6552-0.8993 ( 522 PWs) bands (ev): -6.6868 -6.6868 -4.8257 -4.8257 -2.6360 -2.6360 5.4499 5.4499 8.4641 8.4641 18.0282 18.0282 19.0028 19.0028 22.4708 22.4708 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6552-0.7538 ( 519 PWs) bands (ev): -6.7125 -6.7125 -4.9099 -4.9099 -2.5549 -2.5549 5.7270 5.7270 8.5478 8.5478 17.9689 17.9689 19.8830 19.8830 20.1320 20.1320 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6552-0.6082 ( 520 PWs) bands (ev): -6.8035 -6.8035 -5.8014 -5.8014 -1.0989 -1.0989 5.6666 5.6666 8.6564 8.6564 17.4480 17.4480 18.7382 18.7382 19.5705 19.5705 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6552-0.4626 ( 519 PWs) bands (ev): -7.6676 -7.6676 -5.5125 -5.5125 0.2320 0.2320 5.1508 5.1508 9.1371 9.1371 15.6031 15.6031 18.0589 18.0589 20.5827 20.5827 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.7862 0.3805 ( 528 PWs) bands (ev): -7.2343 -7.2343 -6.2204 -6.2204 0.7139 0.7139 5.1564 5.1564 8.9974 8.9974 14.8623 14.8623 19.4088 19.4088 19.5469 19.5469 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.7862 0.5260 ( 519 PWs) bands (ev): -7.6281 -7.6281 -5.5501 -5.5501 0.2335 0.2335 4.9684 4.9684 9.2882 9.2882 15.6100 15.6100 18.7724 18.7724 20.1990 20.1990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.7862 0.6716 ( 518 PWs) bands (ev): -8.0314 -8.0314 -4.3666 -4.3666 -0.9119 -0.9119 4.6080 4.6080 9.8106 9.8106 17.4877 17.4877 18.1650 18.1650 20.5994 20.5995 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.7862 0.8172 ( 523 PWs) bands (ev): -8.1602 -8.1602 -3.4212 -3.4212 -1.8755 -1.8755 4.3349 4.3349 9.9356 9.9356 17.7499 17.7499 19.3569 19.3569 20.2532 20.2532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.7862 0.9628 ( 522 PWs) bands (ev): -7.9895 -7.9895 -4.2569 -4.2569 -0.9972 -0.9972 4.2422 4.2422 9.4508 9.4508 17.0337 17.0337 18.4069 18.4069 22.3567 22.3567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.7862 1.1083 ( 530 PWs) bands (ev): -7.5461 -7.5461 -5.4423 -5.4423 0.1651 0.1651 4.2888 4.2888 8.8042 8.8042 15.1954 15.1954 19.4253 19.4253 22.7659 22.7659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.7862-0.4930 ( 526 PWs) bands (ev): -7.1194 -7.1194 -6.1339 -6.1339 0.6584 0.6584 4.3362 4.3362 8.5171 8.5171 14.4597 14.4597 20.0945 20.0945 22.5491 22.5491 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1011-0.0634 ( 523 PWs) bands (ev): -12.4526 -12.4526 0.6778 0.6778 3.4646 3.4646 3.7766 3.7766 11.5442 11.5442 15.6525 15.6525 16.2693 16.2693 18.0586 18.0586 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1011 0.0822 ( 524 PWs) bands (ev): -12.4463 -12.4463 0.6225 0.6225 3.4701 3.4701 3.7711 3.7711 11.6588 11.6588 15.6448 15.6448 16.2709 16.2709 18.0548 18.0548 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1011 0.2277 ( 521 PWs) bands (ev): -12.1040 -12.1040 0.9110 0.9110 2.4318 2.4318 3.0891 3.0891 12.2274 12.2274 15.9412 15.9412 17.0511 17.0511 17.1765 17.1765 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1011 0.3733 ( 521 PWs) bands (ev): -11.4307 -11.4307 0.6861 0.6861 1.5572 1.5572 2.0912 2.0912 13.1496 13.1496 15.3572 15.3572 16.2527 16.2527 18.7197 18.7197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1011 0.5189 ( 522 PWs) bands (ev): -10.4369 -10.4369 -1.4129 -1.4129 1.2021 1.2021 2.5143 2.5143 12.8555 12.8555 15.0983 15.0983 16.0596 16.0596 20.7996 20.7996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1011 0.6645 ( 518 PWs) bands (ev): -9.1433 -9.1433 -3.5709 -3.5709 0.5645 0.5645 3.7402 3.7402 10.9367 10.9367 15.7452 15.7452 16.8439 16.8439 21.6545 21.6545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1011-0.9369 ( 519 PWs) bands (ev): -7.6281 -7.6281 -5.5501 -5.5501 0.2335 0.2335 4.9684 4.9684 9.2882 9.2882 15.6100 15.6100 18.7724 18.7724 20.1990 20.1990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1011-0.7913 ( 519 PWs) bands (ev): -7.6676 -7.6676 -5.5125 -5.5125 0.2320 0.2320 5.1508 5.1508 9.1371 9.1371 15.6031 15.6031 18.0589 18.0589 20.5827 20.5827 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1011-0.6457 ( 520 PWs) bands (ev): -9.1858 -9.1858 -3.5339 -3.5339 0.5603 0.5603 4.0525 4.0525 10.7148 10.7148 15.6781 15.6781 16.0957 16.0957 21.8401 21.8401 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1011-0.5001 ( 519 PWs) bands (ev): -10.4745 -10.4745 -1.3841 -1.3841 1.1963 1.1963 2.8195 2.8195 12.6494 12.6494 14.4372 14.4372 16.0298 16.0298 20.9106 20.9106 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1011-0.3546 ( 519 PWs) bands (ev): -11.4601 -11.4601 0.7043 0.7043 1.8038 1.8038 2.0867 2.0867 12.6607 12.6607 15.2066 15.2066 16.2535 16.2535 18.7478 18.7478 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1011-0.2090 ( 523 PWs) bands (ev): -12.1226 -12.1226 1.0705 1.0705 2.4349 2.4349 3.0905 3.0905 11.8946 11.8946 15.9376 15.9376 17.0409 17.0409 17.1778 17.1778 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.0299-0.1268 ( 524 PWs) bands (ev): -12.4463 -12.4463 0.6225 0.6225 3.4701 3.4701 3.7711 3.7711 11.6588 11.6588 15.6448 15.6448 16.2709 16.2709 18.0548 18.0548 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.0299 0.0188 ( 526 PWs) bands (ev): -12.6022 -12.6022 0.3432 0.3432 4.1117 4.1117 4.1209 4.1209 11.6528 11.6528 15.5643 15.5643 15.5721 15.5721 18.6405 18.6405 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.0299 0.1643 ( 530 PWs) bands (ev): -12.4216 -12.4216 0.4166 0.4166 3.4560 3.4560 3.7790 3.7790 12.0986 12.0986 15.6555 15.6555 16.2634 16.2634 18.0887 18.0887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.0299 0.3099 ( 525 PWs) bands (ev): -11.9074 -11.9074 0.8467 0.8467 1.8021 1.8021 2.9822 2.9822 12.9500 12.9500 15.6632 15.6632 16.6760 16.6760 18.1133 18.1133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.0299 0.4555 ( 519 PWs) bands (ev): -11.0675 -11.0675 -0.3341 -0.3341 1.6437 1.6437 2.0955 2.0955 13.6934 13.6934 15.2291 15.2291 15.5029 15.5029 20.6666 20.6666 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.0299 0.6011 ( 516 PWs) bands (ev): -9.9161 -9.9161 -2.5710 -2.5710 1.3551 1.3551 2.7544 2.7544 12.1625 12.1625 15.1355 15.1355 16.3953 16.3953 22.5370 23.4772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.0299-1.0003 ( 523 PWs) bands (ev): -8.4865 -8.4865 -4.7081 -4.7081 0.8764 0.8764 4.0742 4.0742 10.2180 10.2180 14.9228 14.9228 18.3018 18.3018 21.0433 21.0433 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.0299-0.8547 ( 527 PWs) bands (ev): -7.2283 -7.2283 -6.2124 -6.2124 0.7104 0.7104 5.0736 5.0736 9.0211 9.0211 14.8348 14.8348 18.8092 18.8092 20.3039 20.3039 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.0299-0.7091 ( 529 PWs) bands (ev): -8.5704 -8.5704 -4.6309 -4.6309 0.8717 0.8717 4.6016 4.6016 9.7912 9.7912 14.8936 14.8936 16.6290 16.6290 22.0395 22.0395 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.0299-0.5635 ( 520 PWs) bands (ev): -9.9953 -9.9953 -2.5042 -2.5042 1.3464 1.3464 3.3602 3.3602 11.7468 11.7468 14.7100 14.7100 15.2153 15.2153 23.4631 23.4632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.0299-0.4180 ( 512 PWs) bands (ev): -11.1337 -11.1337 -0.2838 -0.2838 2.0841 2.0841 2.1778 2.1778 12.8976 12.8976 14.4587 14.4587 15.4714 15.4714 20.6698 20.6698 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.0299-0.2724 ( 522 PWs) bands (ev): -11.9549 -11.9549 1.2318 1.2318 1.8399 1.8399 2.9705 2.9705 12.1231 12.1231 15.5935 15.5935 16.5306 16.5306 18.1223 18.1223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.1610-0.1902 ( 521 PWs) bands (ev): -12.1040 -12.1040 0.9110 0.9110 2.4318 2.4318 3.0891 3.0891 12.2274 12.2274 15.9412 15.9412 17.0511 17.0511 17.1765 17.1765 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.1610-0.0447 ( 530 PWs) bands (ev): -12.4216 -12.4216 0.4166 0.4166 3.4560 3.4560 3.7790 3.7790 12.0986 12.0986 15.6555 15.6555 16.2634 16.2634 18.0887 18.0887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.1610 0.1009 ( 530 PWs) bands (ev): -12.4038 -12.4038 0.2762 0.2762 3.4709 3.4709 3.7636 3.7636 12.4144 12.4144 15.6348 15.6348 16.2676 16.2676 18.0779 18.0779 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.1610 0.2465 ( 522 PWs) bands (ev): -12.0522 -12.0522 0.5037 0.5037 2.4240 2.4240 3.0849 3.0849 13.1448 13.1448 15.9489 15.9489 17.0832 17.0832 17.1738 17.1738 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.1610 0.3921 ( 525 PWs) bands (ev): -11.3727 -11.3727 0.6643 0.6643 1.1180 1.1180 2.0898 2.0898 14.0734 14.0734 15.6223 15.6223 16.2238 16.2238 18.6865 18.6865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.1610 0.5376 ( 519 PWs) bands (ev): -10.3761 -10.3761 -1.4373 -1.4373 1.2000 1.2000 2.0670 2.0670 13.1201 13.1201 15.8718 15.8718 16.3074 16.3074 20.6928 20.6928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.1610-1.0637 ( 521 PWs) bands (ev): -9.0838 -9.0838 -3.5981 -3.5981 0.5597 0.5597 3.3281 3.3281 11.1634 11.1634 15.7190 15.7190 17.8961 17.8961 21.4438 21.4438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.1610-0.9181 ( 522 PWs) bands (ev): -7.5772 -7.5772 -5.5726 -5.5726 0.2257 0.2257 4.6767 4.6767 9.4431 9.4431 15.5597 15.5597 19.5855 19.5855 19.7936 19.7936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.1610-0.7725 ( 524 PWs) bands (ev): -7.6858 -7.6858 -5.4695 -5.4695 0.2216 0.2216 5.1564 5.1564 9.0366 9.0366 15.5383 15.5383 17.6182 17.6182 20.9620 20.9620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.1610-0.6270 ( 525 PWs) bands (ev): -9.2008 -9.2008 -3.4969 -3.4969 0.5482 0.5482 4.1516 4.1516 10.5564 10.5564 15.4862 15.4862 15.8692 15.8692 22.1167 22.1167 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.1610-0.4814 ( 521 PWs) bands (ev): -10.4801 -10.4801 -1.3585 -1.3585 1.1840 1.1840 2.8620 2.8620 12.6064 12.6064 14.2212 14.2212 15.9778 15.9778 20.9988 20.9988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.1610-0.3358 ( 517 PWs) bands (ev): -11.4540 -11.4540 0.7162 0.7162 1.7511 1.7511 2.0769 2.0769 12.7803 12.7803 15.1458 15.1458 16.2189 16.2189 18.7652 18.7652 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.2920-0.2536 ( 521 PWs) bands (ev): -11.4307 -11.4307 0.6861 0.6861 1.5572 1.5572 2.0912 2.0912 13.1496 13.1496 15.3572 15.3572 16.2527 16.2527 18.7197 18.7197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.2920-0.1081 ( 525 PWs) bands (ev): -11.9074 -11.9074 0.8467 0.8467 1.8021 1.8021 2.9822 2.9822 12.9500 12.9500 15.6632 15.6632 16.6760 16.6760 18.1133 18.1133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.2920 0.0375 ( 522 PWs) bands (ev): -12.0522 -12.0522 0.5037 0.5037 2.4240 2.4240 3.0849 3.0849 13.1448 13.1448 15.9489 15.9489 17.0832 17.0832 17.1738 17.1738 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.2920 0.1831 ( 520 PWs) bands (ev): -11.8648 -11.8648 0.5281 0.5281 1.8404 1.8404 2.9501 2.9501 13.7258 13.7258 15.5768 15.5768 16.5124 16.5124 18.1177 18.1177 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.2920 0.3287 ( 518 PWs) bands (ev): -11.3491 -11.3491 0.6998 0.6998 0.9607 0.9607 2.0546 2.0546 14.5205 14.5205 15.3856 15.3856 16.1199 16.1199 18.7562 18.7562 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.2920 0.4742 ( 527 PWs) bands (ev): -10.5143 -10.5143 -0.6464 -0.6464 0.6912 0.6912 1.7222 1.7222 13.4703 13.4703 16.1556 16.1556 17.3503 17.3503 18.8653 18.8653 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.2920-1.1271 ( 522 PWs) bands (ev): -9.3769 -9.3769 -2.4300 -2.4300 -0.3510 -0.3510 2.8522 2.8522 11.7391 11.7391 17.3670 17.3670 17.9269 17.9269 19.9664 19.9664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.2920-0.9815 ( 522 PWs) bands (ev): -7.9745 -7.9745 -4.3842 -4.3842 -0.9265 -0.9265 4.2425 4.2425 9.9897 9.9897 17.4158 17.4158 18.7920 18.7920 20.4183 20.4183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.2920-0.8359 ( 523 PWs) bands (ev): -6.7866 -6.7866 -5.7832 -5.7832 -1.1169 -1.1169 5.4658 5.4658 8.7174 8.7174 17.3230 17.3230 18.8727 18.8727 19.4270 19.4270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.2920-0.6904 ( 523 PWs) bands (ev): -8.1163 -8.1163 -4.2606 -4.2606 -0.9379 -0.9379 5.1266 5.1266 9.3417 9.3417 16.9039 16.9039 17.4711 17.4711 20.1887 20.1887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.2920-0.5448 ( 522 PWs) bands (ev): -9.5118 -9.5118 -2.3378 -2.3378 -0.3636 -0.3636 3.8283 3.8283 11.2046 11.2046 15.3559 15.3559 17.6124 17.6124 20.5661 20.5661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.2920-0.3992 ( 523 PWs) bands (ev): -10.6277 -10.6277 -0.6215 -0.6215 0.7075 0.7075 2.5675 2.5675 13.0192 13.0192 14.4003 14.4003 17.4170 17.4170 18.9343 18.9343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.4230-0.3170 ( 522 PWs) bands (ev): -10.4369 -10.4369 -1.4129 -1.4129 1.2021 1.2021 2.5143 2.5143 12.8555 12.8555 15.0983 15.0983 16.0596 16.0596 20.7996 20.7996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.4230-0.1715 ( 519 PWs) bands (ev): -11.0675 -11.0675 -0.3341 -0.3341 1.6437 1.6437 2.0955 2.0955 13.6934 13.6934 15.2291 15.2291 15.5029 15.5029 20.6666 20.6666 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.4230-0.0259 ( 525 PWs) bands (ev): -11.3727 -11.3727 0.6643 0.6643 1.1180 1.1180 2.0898 2.0898 14.0734 14.0734 15.6223 15.6223 16.2238 16.2238 18.6865 18.6865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.4230 0.1197 ( 518 PWs) bands (ev): -11.3491 -11.3491 0.6998 0.6998 0.9607 0.9607 2.0546 2.0546 14.5205 14.5205 15.3856 15.3856 16.1199 16.1199 18.7562 18.7562 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.4230 0.2653 ( 521 PWs) bands (ev): -10.9990 -10.9990 -0.2693 -0.2693 1.1525 1.1525 2.0506 2.0506 14.1530 14.1530 15.0981 15.0981 15.8336 15.8336 20.6653 20.6653 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.4230 0.4108 ( 524 PWs) bands (ev): -10.3296 -10.3296 -1.3566 -1.3566 1.1448 1.1448 1.7426 1.7426 12.9107 12.9107 15.6424 15.6424 16.8596 16.8596 20.9961 20.9961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.4230-1.1905 ( 527 PWs) bands (ev): -9.3552 -9.3552 -2.3583 -2.3583 -0.4095 -0.4095 2.6996 2.6996 11.5318 11.5318 17.2127 17.2127 17.9687 17.9687 20.5437 20.5437 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.4230-1.0449 ( 525 PWs) bands (ev): -8.1034 -8.1034 -3.4401 -3.4401 -1.8903 -1.8903 3.9801 3.9801 10.1104 10.1104 18.2490 18.2490 19.2061 19.2061 20.1781 20.1781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.4230-0.8993 ( 521 PWs) bands (ev): -6.6679 -6.6679 -4.9178 -4.9178 -2.5777 -2.5777 5.4508 5.4508 8.7033 8.7033 18.0829 18.0829 19.8509 19.8509 19.9579 19.9579 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.4230-0.7538 ( 515 PWs) bands (ev): -6.8067 -6.8067 -4.8005 -4.8005 -2.5770 -2.5770 6.1733 6.1733 8.1826 8.1826 17.9615 17.9615 19.0059 19.0059 19.9347 19.9347 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.4230-0.6082 ( 519 PWs) bands (ev): -8.2552 -8.2552 -3.3862 -3.3862 -1.8530 -1.8530 5.0211 5.0211 9.6405 9.6405 16.8958 16.8958 19.4158 19.4158 19.9405 19.9405 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.4230-0.4626 ( 523 PWs) bands (ev): -9.4915 -9.4915 -2.3843 -2.3843 -0.3394 -0.3394 3.6728 3.6728 11.3613 11.3613 15.7580 15.7580 17.7544 17.7544 20.2228 20.2228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.5541-0.3805 ( 518 PWs) bands (ev): -9.1433 -9.1433 -3.5709 -3.5709 0.5645 0.5645 3.7402 3.7402 10.9367 10.9367 15.7452 15.7452 16.8439 16.8439 21.6545 21.6545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.5541-0.2349 ( 516 PWs) bands (ev): -9.9161 -9.9161 -2.5710 -2.5710 1.3551 1.3551 2.7544 2.7544 12.1625 12.1625 15.1355 15.1355 16.3953 16.3953 22.5370 23.4772 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.5541-0.0893 ( 519 PWs) bands (ev): -10.3761 -10.3761 -1.4373 -1.4373 1.2000 1.2000 2.0670 2.0670 13.1201 13.1201 15.8718 15.8718 16.3074 16.3074 20.6928 20.6928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.5541 0.0563 ( 527 PWs) bands (ev): -10.5143 -10.5143 -0.6464 -0.6464 0.6912 0.6912 1.7222 1.7222 13.4703 13.4703 16.1556 16.1556 17.3503 17.3503 18.8653 18.8653 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.5541 0.2018 ( 524 PWs) bands (ev): -10.3296 -10.3296 -1.3566 -1.3566 1.1448 1.1448 1.7426 1.7426 12.9107 12.9107 15.6424 15.6424 16.8596 16.8596 20.9961 20.9961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.5541 0.3474 ( 525 PWs) bands (ev): -9.8273 -9.8273 -2.4865 -2.4865 1.3029 1.3029 2.1339 2.1339 11.8384 11.8384 14.8007 14.8007 17.7788 17.7788 23.4833 23.4833 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.5541-1.2539 ( 526 PWs) bands (ev): -9.0206 -9.0206 -3.5006 -3.5006 0.4977 0.4977 2.8841 2.8841 10.6954 10.6954 15.3685 15.3685 18.7317 18.7317 22.8946 22.8946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.5541-1.1083 ( 526 PWs) bands (ev): -7.9373 -7.9373 -4.2905 -4.2905 -1.0002 -1.0002 3.9551 3.9551 9.6298 9.6298 17.0447 17.0447 18.8548 18.8548 22.3208 22.3208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.5541-0.9628 ( 524 PWs) bands (ev): -6.6485 -6.6485 -4.8573 -4.8573 -2.6368 -2.6368 5.2747 5.2747 8.6040 8.6040 18.0808 18.0808 19.0484 19.0484 21.9923 21.9923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.5541-0.8172 ( 522 PWs) bands (ev): -5.5412 -5.5412 -5.4442 -5.4442 -3.5064 -3.5064 6.7305 6.7305 7.4959 7.4959 17.6335 17.6335 19.9737 19.9737 21.6382 21.6382 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.5541-0.6716 ( 515 PWs) bands (ev): -6.7957 -6.7957 -4.8563 -4.8563 -2.5418 -2.5418 6.2468 6.2468 8.1963 8.1963 17.8346 17.8346 19.5018 19.5018 20.1494 20.1494 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833 0.5541-0.5260 ( 519 PWs) bands (ev): -8.0816 -8.0816 -4.3343 -4.3343 -0.9090 -0.9090 4.9450 4.9450 9.6007 9.6007 17.4084 17.4084 17.6834 17.6834 20.2817 20.2817 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8874 0.3170 ( 519 PWs) bands (ev): -7.6281 -7.6281 -5.5501 -5.5501 0.2335 0.2335 4.9684 4.9684 9.2882 9.2882 15.6100 15.6100 18.7724 18.7724 20.1990 20.1990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8874 0.4626 ( 523 PWs) bands (ev): -8.4865 -8.4865 -4.7081 -4.7081 0.8764 0.8764 4.0742 4.0742 10.2180 10.2180 14.9228 14.9228 18.3018 18.3018 21.0433 21.0433 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8874 0.6082 ( 521 PWs) bands (ev): -9.0838 -9.0838 -3.5981 -3.5981 0.5597 0.5597 3.3281 3.3281 11.1634 11.1634 15.7190 15.7190 17.8961 17.8961 21.4438 21.4438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8874 0.7538 ( 522 PWs) bands (ev): -9.3769 -9.3769 -2.4300 -2.4300 -0.3510 -0.3510 2.8522 2.8522 11.7391 11.7391 17.3670 17.3670 17.9269 17.9269 19.9664 19.9664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8874 0.8993 ( 527 PWs) bands (ev): -9.3552 -9.3552 -2.3583 -2.3583 -0.4095 -0.4095 2.6996 2.6996 11.5318 11.5318 17.2127 17.2127 17.9687 17.9687 20.5437 20.5437 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8874 1.0449 ( 526 PWs) bands (ev): -9.0206 -9.0206 -3.5006 -3.5006 0.4977 0.4977 2.8841 2.8841 10.6954 10.6954 15.3685 15.3685 18.7317 18.7317 22.8946 22.8946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8874-0.5564 ( 533 PWs) bands (ev): -8.3878 -8.3878 -4.6186 -4.6186 0.8232 0.8232 3.3841 3.3841 9.7342 9.7342 14.5530 14.5530 19.6788 19.6788 23.0771 23.0771 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8874-0.4108 ( 529 PWs) bands (ev): -7.5045 -7.5045 -5.4810 -5.4810 0.1666 0.1666 4.1302 4.1302 8.9605 8.9605 15.2053 15.2053 19.7922 19.7922 22.5694 22.5694 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8874-0.2653 ( 526 PWs) bands (ev): -6.7082 -6.7082 -5.7352 -5.7352 -1.1825 -1.1825 4.9758 4.9758 8.5026 8.5026 16.9653 16.9653 18.8198 18.8198 22.2654 22.2654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8874-0.1197 ( 523 PWs) bands (ev): -6.7345 -6.7345 -4.8017 -4.8017 -2.6233 -2.6233 5.6895 5.6895 8.3462 8.3462 17.7973 17.7973 19.2567 19.2567 21.5683 21.5683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8874 0.0259 ( 520 PWs) bands (ev): -6.7592 -6.7592 -4.8877 -4.8877 -2.5416 -2.5416 6.0252 6.0252 8.3534 8.3534 17.7787 17.7787 19.9950 19.9950 20.4396 20.4396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8874 0.1715 ( 516 PWs) bands (ev): -6.8093 -6.8093 -5.8085 -5.8085 -1.0922 -1.0922 5.7514 5.7514 8.6169 8.6169 17.4989 17.4989 18.5638 18.5638 19.9688 19.9688 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7563 0.2536 ( 519 PWs) bands (ev): -7.6676 -7.6676 -5.5125 -5.5125 0.2320 0.2320 5.1508 5.1508 9.1371 9.1371 15.6031 15.6031 18.0589 18.0589 20.5827 20.5827 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7563 0.3992 ( 527 PWs) bands (ev): -7.2283 -7.2283 -6.2124 -6.2124 0.7104 0.7104 5.0736 5.0736 9.0211 9.0211 14.8348 14.8348 18.8092 18.8092 20.3039 20.3039 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7563 0.5448 ( 522 PWs) bands (ev): -7.5772 -7.5772 -5.5726 -5.5726 0.2257 0.2257 4.6767 4.6767 9.4431 9.4431 15.5597 15.5597 19.5855 19.5855 19.7936 19.7936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7563 0.6904 ( 522 PWs) bands (ev): -7.9745 -7.9745 -4.3842 -4.3842 -0.9265 -0.9265 4.2425 4.2425 9.9897 9.9897 17.4158 17.4158 18.7920 18.7920 20.4183 20.4183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7563 0.8359 ( 525 PWs) bands (ev): -8.1034 -8.1034 -3.4401 -3.4401 -1.8903 -1.8903 3.9801 3.9801 10.1104 10.1104 18.2490 18.2490 19.2061 19.2061 20.1781 20.1781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7563 0.9815 ( 526 PWs) bands (ev): -7.9373 -7.9373 -4.2905 -4.2905 -1.0002 -1.0002 3.9551 3.9551 9.6298 9.6298 17.0447 17.0447 18.8548 18.8548 22.3208 22.3208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7563-0.6198 ( 529 PWs) bands (ev): -7.5045 -7.5045 -5.4810 -5.4810 0.1666 0.1666 4.1302 4.1302 8.9605 8.9605 15.2053 15.2053 19.7922 19.7922 22.5694 22.5694 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7563-0.4742 ( 528 PWs) bands (ev): -7.1289 -7.1289 -6.1373 -6.1373 0.6620 0.6620 4.3699 4.3699 8.5890 8.5890 14.4854 14.4854 19.7702 19.7702 22.5352 22.5352 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7563-0.3287 ( 528 PWs) bands (ev): -7.5982 -7.5982 -5.4173 -5.4173 0.1728 0.1728 4.5179 4.5179 8.7706 8.7706 15.2366 15.2366 18.7360 18.7360 22.5064 22.5064 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7563-0.1831 ( 523 PWs) bands (ev): -8.0463 -8.0463 -4.2381 -4.2381 -0.9830 -0.9830 4.5901 4.5901 9.3436 9.3436 17.0335 17.0335 17.8650 17.8650 21.5647 21.5647 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7563-0.0375 ( 521 PWs) bands (ev): -8.2155 -8.2155 -3.4014 -3.4014 -1.8620 -1.8620 4.7178 4.7178 9.7658 9.7658 17.2465 17.2465 19.4747 19.4747 20.2625 20.2625 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7563 0.1081 ( 519 PWs) bands (ev): -8.0816 -8.0816 -4.3343 -4.3343 -0.9090 -0.9090 4.9450 4.9450 9.6007 9.6007 17.4084 17.4084 17.6834 17.6834 20.2817 20.2817 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.6253 0.1902 ( 520 PWs) bands (ev): -9.1858 -9.1858 -3.5339 -3.5339 0.5603 0.5603 4.0525 4.0525 10.7148 10.7148 15.6781 15.6781 16.0957 16.0957 21.8401 21.8401 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.6253 0.3358 ( 529 PWs) bands (ev): -8.5704 -8.5704 -4.6309 -4.6309 0.8717 0.8717 4.6016 4.6016 9.7912 9.7912 14.8936 14.8936 16.6290 16.6290 22.0395 22.0395 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.6253 0.4814 ( 524 PWs) bands (ev): -7.6858 -7.6858 -5.4695 -5.4695 0.2216 0.2216 5.1564 5.1564 9.0366 9.0366 15.5383 15.5383 17.6182 17.6182 20.9620 20.9620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.6253 0.6270 ( 523 PWs) bands (ev): -6.7866 -6.7866 -5.7832 -5.7832 -1.1169 -1.1169 5.4658 5.4658 8.7174 8.7174 17.3230 17.3230 18.8727 18.8727 19.4270 19.4270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.6253 0.7725 ( 521 PWs) bands (ev): -6.6679 -6.6679 -4.9178 -4.9178 -2.5777 -2.5777 5.4508 5.4508 8.7033 8.7033 18.0829 18.0829 19.8509 19.8509 19.9579 19.9579 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.6253 0.9181 ( 524 PWs) bands (ev): -6.6485 -6.6485 -4.8573 -4.8573 -2.6368 -2.6368 5.2747 5.2747 8.6040 8.6040 18.0808 18.0808 19.0484 19.0484 21.9923 21.9923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.6253-0.6832 ( 526 PWs) bands (ev): -6.7082 -6.7082 -5.7352 -5.7352 -1.1825 -1.1825 4.9758 4.9758 8.5026 8.5026 16.9653 16.9653 18.8198 18.8198 22.2654 22.2654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.6253-0.5376 ( 528 PWs) bands (ev): -7.5982 -7.5982 -5.4173 -5.4173 0.1728 0.1728 4.5179 4.5179 8.7706 8.7706 15.2366 15.2366 18.7360 18.7360 22.5064 22.5064 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.6253-0.3921 ( 524 PWs) bands (ev): -8.5012 -8.5012 -4.5632 -4.5632 0.8328 0.8328 4.0231 4.0231 9.4863 9.4863 14.6119 14.6119 17.6634 17.6634 23.4154 23.4154 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.6253-0.2465 ( 526 PWs) bands (ev): -9.1418 -9.1418 -3.4608 -3.4608 0.5148 0.5148 3.6633 3.6633 10.4501 10.4501 15.4251 15.4251 16.6503 16.6503 23.0759 23.0759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.6253-0.1009 ( 522 PWs) bands (ev): -9.4764 -9.4764 -2.3309 -2.3309 -0.3821 -0.3821 3.5366 3.5366 11.2555 11.2555 15.8753 15.8753 17.5203 17.5203 20.6659 20.6659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.6253 0.0447 ( 523 PWs) bands (ev): -9.4915 -9.4915 -2.3843 -2.3843 -0.3394 -0.3394 3.6728 3.6728 11.3613 11.3613 15.7580 15.7580 17.7544 17.7544 20.2228 20.2228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4942 0.1268 ( 519 PWs) bands (ev): -10.4745 -10.4745 -1.3841 -1.3841 1.1963 1.1963 2.8195 2.8195 12.6494 12.6494 14.4372 14.4372 16.0298 16.0298 20.9106 20.9106 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4942 0.2724 ( 520 PWs) bands (ev): -9.9953 -9.9953 -2.5042 -2.5042 1.3464 1.3464 3.3602 3.3602 11.7468 11.7468 14.7100 14.7100 15.2153 15.2153 23.4630 23.4632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4942 0.4180 ( 525 PWs) bands (ev): -9.2008 -9.2008 -3.4969 -3.4969 0.5482 0.5482 4.1516 4.1516 10.5564 10.5564 15.4862 15.4862 15.8692 15.8692 22.1167 22.1167 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4942 0.5635 ( 523 PWs) bands (ev): -8.1163 -8.1163 -4.2606 -4.2606 -0.9379 -0.9379 5.1266 5.1266 9.3417 9.3417 16.9039 16.9039 17.4711 17.4711 20.1887 20.1887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4942 0.7091 ( 515 PWs) bands (ev): -6.8067 -6.8067 -4.8005 -4.8005 -2.5770 -2.5770 6.1733 6.1733 8.1826 8.1826 17.9615 17.9615 19.0059 19.0059 19.9347 19.9347 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4942 0.8547 ( 522 PWs) bands (ev): -5.5412 -5.5412 -5.4442 -5.4442 -3.5064 -3.5064 6.7305 6.7305 7.4959 7.4959 17.6335 17.6335 19.9737 19.9737 21.6382 21.6382 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4942-0.7466 ( 523 PWs) bands (ev): -6.7345 -6.7345 -4.8017 -4.8017 -2.6233 -2.6233 5.6895 5.6895 8.3462 8.3462 17.7973 17.7973 19.2567 19.2567 21.5684 21.5684 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4942-0.6011 ( 523 PWs) bands (ev): -8.0463 -8.0463 -4.2381 -4.2381 -0.9830 -0.9830 4.5901 4.5901 9.3436 9.3436 17.0335 17.0335 17.8650 17.8650 21.5647 21.5647 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4942-0.4555 ( 526 PWs) bands (ev): -9.1418 -9.1418 -3.4608 -3.4608 0.5148 0.5148 3.6633 3.6633 10.4501 10.4501 15.4251 15.4251 16.6503 16.6503 23.0759 23.0759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4942-0.3099 ( 526 PWs) bands (ev): -9.9528 -9.9528 -2.4613 -2.4613 1.3202 1.3202 2.9936 2.9936 11.6414 11.6414 14.8111 14.8111 15.5421 15.5421 23.4690 23.4690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4942-0.1643 ( 519 PWs) bands (ev): -10.4523 -10.4523 -1.3431 -1.3431 1.1687 1.1687 2.6239 2.6239 12.6772 12.6772 14.5549 14.5549 15.9212 15.9212 21.0447 21.0447 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4942-0.0188 ( 523 PWs) bands (ev): -10.6277 -10.6277 -0.6215 -0.6215 0.7075 0.7075 2.5675 2.5675 13.0192 13.0192 14.4003 14.4003 17.4170 17.4170 18.9343 18.9343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.3632 0.0634 ( 519 PWs) bands (ev): -11.4601 -11.4601 0.7043 0.7043 1.8038 1.8038 2.0867 2.0867 12.6607 12.6607 15.2066 15.2066 16.2535 16.2535 18.7478 18.7478 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.3632 0.2090 ( 512 PWs) bands (ev): -11.1337 -11.1337 -0.2838 -0.2838 2.0841 2.0841 2.1778 2.1778 12.8976 12.8976 14.4587 14.4587 15.4714 15.4714 20.6698 20.6698 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.3632 0.3546 ( 521 PWs) bands (ev): -10.4801 -10.4801 -1.3585 -1.3585 1.1840 1.1840 2.8620 2.8620 12.6064 12.6064 14.2212 14.2212 15.9778 15.9778 20.9988 20.9988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.3632 0.5001 ( 522 PWs) bands (ev): -9.5118 -9.5118 -2.3378 -2.3378 -0.3636 -0.3636 3.8283 3.8283 11.2046 11.2046 15.3559 15.3559 17.6124 17.6124 20.5661 20.5661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.3632 0.6457 ( 519 PWs) bands (ev): -8.2552 -8.2552 -3.3862 -3.3862 -1.8530 -1.8530 5.0211 5.0211 9.6405 9.6405 16.8958 16.8958 19.4158 19.4158 19.9405 19.9405 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.3632 0.7913 ( 515 PWs) bands (ev): -6.7957 -6.7957 -4.8563 -4.8563 -2.5418 -2.5418 6.2468 6.2468 8.1963 8.1963 17.8346 17.8346 19.5018 19.5018 20.1494 20.1494 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.3632-0.8100 ( 520 PWs) bands (ev): -6.7592 -6.7592 -4.8877 -4.8877 -2.5416 -2.5416 6.0252 6.0252 8.3534 8.3534 17.7787 17.7787 19.9950 19.9950 20.4396 20.4396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.3632-0.6645 ( 521 PWs) bands (ev): -8.2155 -8.2155 -3.4014 -3.4014 -1.8620 -1.8620 4.7178 4.7178 9.7658 9.7658 17.2465 17.2465 19.4747 19.4747 20.2625 20.2625 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.3632-0.5189 ( 522 PWs) bands (ev): -9.4764 -9.4764 -2.3309 -2.3309 -0.3821 -0.3821 3.5366 3.5366 11.2555 11.2555 15.8753 15.8753 17.5203 17.5203 20.6659 20.6659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.3632-0.3733 ( 519 PWs) bands (ev): -10.4523 -10.4523 -1.3431 -1.3431 1.1687 1.1687 2.6239 2.6239 12.6772 12.6772 14.5549 14.5549 15.9212 15.9212 21.0447 21.0447 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.3632-0.2277 ( 518 PWs) bands (ev): -11.1161 -11.1161 -0.2664 -0.2664 2.0226 2.0226 2.0720 2.0720 13.2241 13.2241 14.3464 14.3464 15.4191 15.4191 20.6695 20.6695 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.3632-0.0822 ( 517 PWs) bands (ev): -11.4540 -11.4540 0.7162 0.7162 1.7511 1.7511 2.0769 2.0769 12.7803 12.7803 15.1458 15.1458 16.2189 16.2189 18.7652 18.7652 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2322 0.0000 ( 523 PWs) bands (ev): -12.1226 -12.1226 1.0705 1.0705 2.4349 2.4349 3.0905 3.0905 11.8946 11.8946 15.9376 15.9376 17.0409 17.0409 17.1778 17.1778 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2322 0.1456 ( 522 PWs) bands (ev): -11.9549 -11.9549 1.2318 1.2318 1.8399 1.8399 2.9705 2.9705 12.1231 12.1231 15.5935 15.5935 16.5306 16.5306 18.1223 18.1223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2322 0.2911 ( 517 PWs) bands (ev): -11.4540 -11.4540 0.7162 0.7162 1.7511 1.7511 2.0769 2.0769 12.7803 12.7803 15.1458 15.1458 16.2189 16.2189 18.7652 18.7652 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2322 0.4367 ( 523 PWs) bands (ev): -10.6277 -10.6277 -0.6215 -0.6215 0.7075 0.7075 2.5675 2.5675 13.0192 13.0192 14.4003 14.4003 17.4170 17.4170 18.9343 18.9343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2322 0.5823 ( 523 PWs) bands (ev): -9.4915 -9.4915 -2.3843 -2.3843 -0.3394 -0.3394 3.6728 3.6728 11.3613 11.3613 15.7580 15.7580 17.7544 17.7544 20.2228 20.2228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2322 0.7279 ( 519 PWs) bands (ev): -8.0816 -8.0816 -4.3343 -4.3343 -0.9090 -0.9090 4.9450 4.9450 9.6007 9.6007 17.4084 17.4084 17.6834 17.6834 20.2817 20.2817 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2322-0.8734 ( 516 PWs) bands (ev): -6.8093 -6.8093 -5.8085 -5.8085 -1.0922 -1.0922 5.7514 5.7514 8.6169 8.6169 17.4989 17.4989 18.5638 18.5638 19.9688 19.9688 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2322-0.7279 ( 519 PWs) bands (ev): -8.0816 -8.0816 -4.3343 -4.3343 -0.9090 -0.9090 4.9450 4.9450 9.6007 9.6007 17.4084 17.4084 17.6834 17.6834 20.2817 20.2817 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2322-0.5823 ( 523 PWs) bands (ev): -9.4915 -9.4915 -2.3843 -2.3843 -0.3394 -0.3394 3.6728 3.6728 11.3613 11.3613 15.7580 15.7580 17.7544 17.7544 20.2228 20.2228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2322-0.4367 ( 523 PWs) bands (ev): -10.6277 -10.6277 -0.6215 -0.6215 0.7075 0.7075 2.5675 2.5675 13.0192 13.0192 14.4003 14.4003 17.4170 17.4170 18.9343 18.9343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2322-0.2911 ( 517 PWs) bands (ev): -11.4540 -11.4540 0.7162 0.7162 1.7511 1.7511 2.0769 2.0769 12.7803 12.7803 15.1458 15.1458 16.2189 16.2189 18.7652 18.7652 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2322-0.1456 ( 522 PWs) bands (ev): -11.9549 -11.9549 1.2318 1.2318 1.8399 1.8399 2.9705 2.9705 12.1231 12.1231 15.5935 15.5935 16.5306 16.5306 18.1223 18.1223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2023-0.1268 ( 521 PWs) bands (ev): -11.9487 -11.9487 1.1802 1.1802 1.8237 1.8237 2.9786 2.9786 12.2276 12.2276 15.6293 15.6293 16.5893 16.5893 18.1193 18.1193 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2023 0.0188 ( 521 PWs) bands (ev): -12.1040 -12.1040 0.9110 0.9110 2.4318 2.4318 3.0891 3.0891 12.2274 12.2274 15.9412 15.9412 17.0511 17.0511 17.1765 17.1765 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2023 0.1643 ( 518 PWs) bands (ev): -11.9246 -11.9246 0.9797 0.9797 1.8444 1.8444 2.9600 2.9600 12.6662 12.6662 15.5724 15.5724 16.5015 16.5015 18.1216 18.1216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2023 0.3099 ( 516 PWs) bands (ev): -11.4139 -11.4139 0.7179 0.7179 1.4231 1.4231 2.0651 2.0651 13.4811 13.4811 15.1833 15.1833 16.1622 16.1622 18.7683 18.7683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2023 0.4555 ( 522 PWs) bands (ev): -10.5805 -10.5805 -0.6322 -0.6322 0.7009 0.7009 2.1907 2.1907 13.2562 13.2562 15.0825 15.0825 17.3726 17.3726 18.9098 18.9098 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2023 0.6011 ( 526 PWs) bands (ev): -9.4405 -9.4405 -2.4109 -2.4109 -0.3405 -0.3405 3.2862 3.2862 11.5482 11.5482 16.5566 16.5566 17.7687 17.7687 20.0930 20.0930 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2023-1.0003 ( 518 PWs) bands (ev): -8.0314 -8.0314 -4.3666 -4.3666 -0.9119 -0.9119 4.6080 4.6080 9.8106 9.8106 17.4877 17.4877 18.1650 18.1650 20.5994 20.5994 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2023-0.8547 ( 520 PWs) bands (ev): -6.8035 -6.8035 -5.8014 -5.8014 -1.0989 -1.0989 5.6666 5.6666 8.6564 8.6564 17.4480 17.4480 18.7382 18.7382 19.5705 19.5705 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2023-0.7091 ( 518 PWs) bands (ev): -8.1124 -8.1124 -4.2955 -4.2955 -0.9186 -0.9186 5.1417 5.1417 9.4341 9.4341 17.0677 17.0677 17.5522 17.5522 20.0152 20.0152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2023-0.5635 ( 517 PWs) bands (ev): -9.5172 -9.5172 -2.3574 -2.3574 -0.3479 -0.3479 3.8817 3.8817 11.2367 11.2367 15.3163 15.3163 17.7035 17.7035 20.3808 20.3808 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2023-0.4180 ( 517 PWs) bands (ev): -10.6448 -10.6448 -0.6174 -0.6174 0.7100 0.7100 2.7146 2.7146 12.8971 12.8971 14.1888 14.1888 17.4373 17.4373 18.9417 18.9417 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2023-0.2724 ( 519 PWs) bands (ev): -11.4601 -11.4601 0.7043 0.7043 1.8038 1.8038 2.0867 2.0867 12.6607 12.6607 15.2066 15.2066 16.2535 16.2535 18.7478 18.7478 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0712-0.1902 ( 521 PWs) bands (ev): -12.1040 -12.1040 0.9110 0.9110 2.4318 2.4318 3.0891 3.0891 12.2274 12.2274 15.9412 15.9412 17.0511 17.0511 17.1765 17.1765 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0712-0.0447 ( 530 PWs) bands (ev): -12.4216 -12.4216 0.4166 0.4166 3.4560 3.4560 3.7790 3.7790 12.0986 12.0986 15.6555 15.6555 16.2634 16.2634 18.0887 18.0887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0712 0.1009 ( 530 PWs) bands (ev): -12.4038 -12.4038 0.2762 0.2762 3.4709 3.4709 3.7636 3.7636 12.4144 12.4144 15.6348 15.6348 16.2676 16.2676 18.0779 18.0779 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0712 0.2465 ( 522 PWs) bands (ev): -12.0522 -12.0522 0.5037 0.5037 2.4240 2.4240 3.0849 3.0849 13.1448 13.1448 15.9489 15.9489 17.0832 17.0832 17.1738 17.1738 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0712 0.3921 ( 525 PWs) bands (ev): -11.3727 -11.3727 0.6643 0.6643 1.1180 1.1180 2.0898 2.0898 14.0734 14.0734 15.6223 15.6223 16.2238 16.2238 18.6865 18.6865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0712 0.5376 ( 519 PWs) bands (ev): -10.3761 -10.3761 -1.4373 -1.4373 1.2000 1.2000 2.0670 2.0670 13.1201 13.1201 15.8718 15.8718 16.3074 16.3074 20.6928 20.6928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0712-1.0637 ( 521 PWs) bands (ev): -9.0838 -9.0838 -3.5981 -3.5981 0.5597 0.5597 3.3281 3.3281 11.1634 11.1634 15.7190 15.7190 17.8961 17.8961 21.4438 21.4438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0712-0.9181 ( 522 PWs) bands (ev): -7.5772 -7.5772 -5.5726 -5.5726 0.2257 0.2257 4.6767 4.6767 9.4431 9.4431 15.5597 15.5597 19.5855 19.5855 19.7936 19.7936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0712-0.7725 ( 524 PWs) bands (ev): -7.6858 -7.6858 -5.4695 -5.4695 0.2216 0.2216 5.1564 5.1564 9.0366 9.0366 15.5383 15.5383 17.6182 17.6182 20.9620 20.9620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0712-0.6270 ( 525 PWs) bands (ev): -9.2008 -9.2008 -3.4969 -3.4969 0.5482 0.5482 4.1516 4.1516 10.5564 10.5564 15.4862 15.4862 15.8692 15.8692 22.1167 22.1167 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0712-0.4814 ( 521 PWs) bands (ev): -10.4801 -10.4801 -1.3585 -1.3585 1.1840 1.1840 2.8620 2.8620 12.6064 12.6064 14.2212 14.2212 15.9778 15.9778 20.9988 20.9988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0712-0.3358 ( 517 PWs) bands (ev): -11.4540 -11.4540 0.7162 0.7162 1.7511 1.7511 2.0769 2.0769 12.7803 12.7803 15.1458 15.1458 16.2189 16.2189 18.7652 18.7652 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.0598-0.2536 ( 518 PWs) bands (ev): -11.9246 -11.9246 0.9797 0.9797 1.8444 1.8444 2.9600 2.9600 12.6662 12.6662 15.5724 15.5724 16.5015 16.5015 18.1216 18.1216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.0598-0.1081 ( 530 PWs) bands (ev): -12.4038 -12.4038 0.2762 0.2762 3.4709 3.4709 3.7636 3.7636 12.4144 12.4144 15.6348 15.6348 16.2676 16.2676 18.0779 18.0779 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.0598 0.0375 ( 532 PWs) bands (ev): -12.5490 -12.5490 -0.0744 -0.0744 4.1079 4.1079 4.1171 4.1171 12.5989 12.5989 15.5574 15.5574 15.5652 15.5652 18.6736 18.6736 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.0598 0.1831 ( 530 PWs) bands (ev): -12.3600 -12.3600 -0.0477 -0.0477 3.4468 3.4468 3.7774 3.7774 13.1961 13.1961 15.6529 15.6529 16.2548 16.2548 18.1412 18.1412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.0598 0.3287 ( 527 PWs) bands (ev): -11.8407 -11.8407 0.3633 0.3633 1.7844 1.7844 2.9802 2.9802 14.1160 14.1160 15.6833 15.6833 16.7997 16.7997 18.1056 18.1056 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.0598 0.4742 ( 524 PWs) bands (ev): -10.9993 -10.9993 -0.3533 -0.3533 1.1628 1.1628 2.0916 2.0916 14.2592 14.2592 15.4193 15.4193 16.1658 16.1658 20.6632 20.6632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.0598-1.1271 ( 518 PWs) bands (ev): -9.8502 -9.8502 -2.5911 -2.5911 1.3490 1.3490 2.3071 2.3071 12.3850 12.3850 15.0973 15.0973 17.6258 17.6258 22.3086 22.3086 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.0598-0.9815 ( 523 PWs) bands (ev): -8.4271 -8.4271 -4.7259 -4.7259 0.8681 0.8681 3.7004 3.7004 10.3843 10.3843 14.8622 14.8622 19.4097 19.4097 20.7147 20.7147 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.0598-0.8359 ( 523 PWs) bands (ev): -7.2107 -7.2107 -6.1919 -6.1919 0.7001 0.7001 4.8744 4.8744 9.0327 9.0327 14.7597 14.7597 18.4891 18.4891 21.1153 21.1153 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.0598-0.6904 ( 525 PWs) bands (ev): -8.5742 -8.5742 -4.5916 -4.5916 0.8600 0.8600 4.5751 4.5751 9.6424 9.6424 14.8047 14.8047 16.4584 16.4584 22.5510 22.5510 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.0598-0.5448 ( 523 PWs) bands (ev): -9.9896 -9.9896 -2.4756 -2.4756 1.3341 1.3341 3.2985 3.2985 11.6629 11.6629 14.6475 14.6475 15.1959 15.1959 23.4638 23.4638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.0598-0.3992 ( 518 PWs) bands (ev): -11.1161 -11.1161 -0.2664 -0.2664 2.0226 2.0226 2.0720 2.0720 13.2241 13.2241 14.3464 14.3464 15.4191 15.4191 20.6695 20.6695 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.1909-0.3170 ( 516 PWs) bands (ev): -11.4139 -11.4139 0.7179 0.7179 1.4231 1.4231 2.0651 2.0651 13.4811 13.4811 15.1833 15.1833 16.1622 16.1622 18.7683 18.7683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.1909-0.1715 ( 522 PWs) bands (ev): -12.0522 -12.0522 0.5037 0.5037 2.4240 2.4240 3.0849 3.0849 13.1448 13.1448 15.9489 15.9489 17.0832 17.0832 17.1738 17.1738 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.1909-0.0259 ( 530 PWs) bands (ev): -12.3600 -12.3600 -0.0477 -0.0477 3.4468 3.4468 3.7774 3.7774 13.1961 13.1961 15.6529 15.6529 16.2548 16.2548 18.1412 18.1412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.1909 0.1197 ( 529 PWs) bands (ev): -12.3350 -12.3350 -0.2202 -0.2202 3.4672 3.4672 3.7565 3.7565 13.6501 13.6501 15.6273 15.6273 16.2603 16.2603 18.1237 18.1237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.1909 0.2653 ( 525 PWs) bands (ev): -11.9796 -11.9796 0.0005 0.0005 2.4141 2.4141 3.0787 3.0787 14.4522 14.4522 15.9626 15.9626 17.1275 17.1275 17.1869 17.1869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.1909 0.4108 ( 527 PWs) bands (ev): -11.3001 -11.3001 0.5752 0.5752 0.7056 0.7056 2.0827 2.0827 14.9718 14.9718 16.0660 16.0660 16.3448 16.3448 18.6566 18.6566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.1909-1.1905 ( 523 PWs) bands (ev): -10.3073 -10.3073 -1.4509 -1.4509 1.1900 1.1900 1.6166 1.6166 13.3311 13.3311 15.9108 15.9108 17.4748 17.4748 20.6141 20.6141 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.1909-1.0449 ( 520 PWs) bands (ev): -9.0223 -9.0223 -3.6085 -3.6085 0.5471 0.5471 2.9383 2.9383 11.3073 11.3073 15.6485 15.6485 18.9885 18.9885 21.2754 21.2754 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.1909-0.8993 ( 523 PWs) bands (ev): -7.5281 -7.5281 -5.5748 -5.5748 0.2109 0.2109 4.3818 4.3818 9.5003 9.5003 15.4682 15.4682 19.5520 19.5520 20.4158 20.4158 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.1909-0.7538 ( 526 PWs) bands (ev): -7.6782 -7.6782 -5.4330 -5.4330 0.2053 0.2053 5.0069 5.0069 8.9469 8.9469 15.4333 15.4333 17.6071 17.6071 21.4354 21.4354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.1909-0.6082 ( 526 PWs) bands (ev): -9.1849 -9.1849 -3.4700 -3.4700 0.5315 0.5315 4.0006 4.0006 10.4678 10.4678 15.4519 15.4519 16.0094 16.0094 22.5515 22.5515 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.1909-0.4626 ( 519 PWs) bands (ev): -10.4523 -10.4523 -1.3431 -1.3431 1.1687 1.1687 2.6239 2.6239 12.6772 12.6772 14.5549 14.5549 15.9212 15.9212 21.0447 21.0447 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3219-0.3805 ( 522 PWs) bands (ev): -10.5805 -10.5805 -0.6322 -0.6322 0.7009 0.7009 2.1907 2.1907 13.2562 13.2562 15.0825 15.0825 17.3726 17.3726 18.9098 18.9098 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3219-0.2349 ( 525 PWs) bands (ev): -11.3727 -11.3727 0.6643 0.6643 1.1180 1.1180 2.0898 2.0898 14.0734 14.0734 15.6223 15.6223 16.2238 16.2238 18.6865 18.6865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3219-0.0893 ( 527 PWs) bands (ev): -11.8407 -11.8407 0.3633 0.3633 1.7844 1.7844 2.9802 2.9802 14.1160 14.1160 15.6833 15.6833 16.7997 16.7997 18.1056 18.1056 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3219 0.0563 ( 525 PWs) bands (ev): -11.9796 -11.9796 0.0005 0.0005 2.4141 2.4141 3.0787 3.0787 14.4522 14.4522 15.9626 15.9626 17.1275 17.1275 17.1869 17.1869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3219 0.2018 ( 521 PWs) bands (ev): -11.7899 -11.7899 0.0309 0.0309 1.8294 1.8294 2.9435 2.9435 15.0060 15.0060 15.6942 15.6942 16.5790 16.5790 18.1103 18.1103 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3219 0.3474 ( 525 PWs) bands (ev): -11.2757 -11.2757 0.4506 0.4506 0.7235 0.7235 2.0474 2.0474 15.1484 15.1484 15.9051 15.9051 16.4791 16.4791 18.7308 18.7308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3219-1.2539 ( 528 PWs) bands (ev): -10.4463 -10.4463 -0.6599 -0.6599 0.6809 0.6809 1.2940 1.2940 13.6437 13.6437 17.0606 17.0606 17.6829 17.6829 18.8089 18.8089 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3219-1.1083 ( 526 PWs) bands (ev): -9.3173 -9.3173 -2.4370 -2.4370 -0.3686 -0.3686 2.4846 2.4846 11.8763 11.8763 17.4947 17.4947 18.6851 18.6851 19.8954 19.8954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3219-0.9628 ( 526 PWs) bands (ev): -7.9261 -7.9261 -4.3828 -4.3828 -0.9487 -0.9487 3.9474 3.9474 10.0657 10.0657 17.3015 17.3015 19.1775 19.1775 20.5268 20.5268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3219-0.8172 ( 521 PWs) bands (ev): -6.7607 -6.7607 -5.7618 -5.7618 -1.1411 -1.1411 5.2468 5.2468 8.7095 8.7095 17.1661 17.1661 18.6776 18.6776 20.1919 20.1919 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3219-0.6716 ( 524 PWs) bands (ev): -8.0924 -8.0924 -4.2394 -4.2394 -0.9615 -0.9615 4.9162 4.9162 9.3124 9.3124 16.9737 16.9737 17.5082 17.5082 20.7429 20.7429 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3219-0.5260 ( 522 PWs) bands (ev): -9.4764 -9.4764 -2.3309 -2.3309 -0.3821 -0.3821 3.5366 3.5366 11.2555 11.2555 15.8753 15.8753 17.5203 17.5203 20.6659 20.6659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4529-0.4439 ( 526 PWs) bands (ev): -9.4405 -9.4405 -2.4109 -2.4109 -0.3405 -0.3405 3.2862 3.2862 11.5482 11.5482 16.5566 16.5566 17.7687 17.7687 20.0930 20.0930 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4529-0.2983 ( 519 PWs) bands (ev): -10.3761 -10.3761 -1.4373 -1.4373 1.2000 1.2000 2.0670 2.0670 13.1201 13.1201 15.8718 15.8718 16.3074 16.3074 20.6928 20.6928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4529-0.1527 ( 524 PWs) bands (ev): -10.9993 -10.9993 -0.3533 -0.3533 1.1628 1.1628 2.0916 2.0916 14.2592 14.2592 15.4193 15.4193 16.1658 16.1658 20.6632 20.6632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4529-0.0071 ( 527 PWs) bands (ev): -11.3001 -11.3001 0.5752 0.5752 0.7056 0.7056 2.0827 2.0827 14.9718 14.9718 16.0660 16.0660 16.3448 16.3448 18.6566 18.6566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4529 0.1384 ( 525 PWs) bands (ev): -11.2757 -11.2757 0.4506 0.4506 0.7235 0.7235 2.0474 2.0474 15.1484 15.1484 15.9051 15.9051 16.4791 16.4791 18.7308 18.7308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4529 0.2840 ( 520 PWs) bands (ev): -10.9285 -10.9285 -0.2889 -0.2889 0.7155 0.7155 2.0469 2.0469 14.3327 14.3327 15.1573 15.1573 17.1454 17.1454 20.6620 20.6620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4529-1.3173 ( 526 PWs) bands (ev): -10.2658 -10.2658 -1.3815 -1.3815 1.1422 1.1422 1.3582 1.3582 13.0880 13.0880 15.6737 15.6737 18.1172 18.1172 20.9113 20.9113 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4529-1.1717 ( 529 PWs) bands (ev): -9.3010 -9.3010 -2.3850 -2.3850 -0.4113 -0.4113 2.3806 2.3806 11.7095 11.7095 17.2863 17.2863 18.7527 18.7527 20.4230 20.4230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4529-1.0262 ( 524 PWs) bands (ev): -8.0611 -8.0611 -3.4535 -3.4535 -1.9020 -1.9020 3.7344 3.7344 10.2459 10.2459 18.4922 18.4922 19.2104 19.2104 20.1257 20.1257 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4529-0.8806 ( 520 PWs) bands (ev): -6.6375 -6.6375 -4.9097 -4.9097 -2.6035 -2.6035 5.2653 5.2653 8.7671 8.7671 17.9896 17.9896 19.6770 19.6770 20.4751 20.4751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4529-0.7350 ( 519 PWs) bands (ev): -6.7782 -6.7782 -4.7922 -4.7922 -2.6019 -2.6019 5.9474 5.9474 8.2568 8.2568 17.7183 17.7183 19.4825 19.4825 20.3265 20.3265 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.4529-0.5894 ( 521 PWs) bands (ev): -8.2155 -8.2155 -3.4014 -3.4014 -1.8620 -1.8620 4.7178 4.7178 9.7658 9.7658 17.2465 17.2465 19.4747 19.4747 20.2625 20.2625 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9885 0.2536 ( 518 PWs) bands (ev): -8.0314 -8.0314 -4.3666 -4.3666 -0.9119 -0.9119 4.6080 4.6080 9.8106 9.8106 17.4877 17.4877 18.1650 18.1650 20.5994 20.5994 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9885 0.3992 ( 521 PWs) bands (ev): -9.0838 -9.0838 -3.5981 -3.5981 0.5597 0.5597 3.3281 3.3281 11.1634 11.1634 15.7190 15.7190 17.8961 17.8961 21.4438 21.4438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9885 0.5448 ( 518 PWs) bands (ev): -9.8502 -9.8502 -2.5911 -2.5911 1.3490 1.3490 2.3071 2.3071 12.3850 12.3850 15.0973 15.0973 17.6258 17.6258 22.3086 22.3086 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9885 0.6904 ( 523 PWs) bands (ev): -10.3073 -10.3073 -1.4509 -1.4509 1.1900 1.1900 1.6166 1.6166 13.3311 13.3311 15.9108 15.9108 17.4748 17.4748 20.6141 20.6141 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9885 0.8359 ( 528 PWs) bands (ev): -10.4463 -10.4463 -0.6599 -0.6599 0.6809 0.6809 1.2940 1.2940 13.6437 13.6437 17.0606 17.0606 17.6829 17.6829 18.8089 18.8089 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9885 0.9815 ( 526 PWs) bands (ev): -10.2658 -10.2658 -1.3815 -1.3815 1.1422 1.1422 1.3582 1.3582 13.0880 13.0880 15.6737 15.6737 18.1172 18.1172 20.9113 20.9113 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9885-0.6198 ( 529 PWs) bands (ev): -9.7712 -9.7712 -2.5191 -2.5191 1.3039 1.3039 1.8095 1.8095 12.0527 12.0527 14.8148 14.8148 18.9864 18.9864 23.4885 23.4885 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9885-0.4742 ( 525 PWs) bands (ev): -8.9751 -8.9751 -3.5381 -3.5381 0.5019 0.5019 2.6343 2.6343 10.9299 10.9299 15.3970 15.3970 19.5642 19.5642 22.4894 22.4894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9885-0.3287 ( 525 PWs) bands (ev): -7.9042 -7.9042 -4.3292 -4.3292 -0.9910 -0.9910 3.7916 3.7916 9.8388 9.8388 17.0919 17.0919 19.0930 19.0930 21.8564 21.8564 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9885-0.1831 ( 520 PWs) bands (ev): -6.6302 -6.6302 -4.8878 -4.8878 -2.6250 -2.6250 5.2055 5.2055 8.7238 8.7238 17.9761 17.9761 19.3655 19.3655 21.2785 21.2785 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9885-0.0375 ( 522 PWs) bands (ev): -5.5406 -5.5406 -5.4448 -5.4448 -3.5063 -3.5063 6.7238 6.7238 7.5045 7.5045 17.5335 17.5335 20.5405 20.5405 21.0514 21.0514 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9885 0.1081 ( 520 PWs) bands (ev): -6.7592 -6.7592 -4.8877 -4.8877 -2.5416 -2.5416 6.0252 6.0252 8.3534 8.3534 17.7787 17.7787 19.9950 19.9950 20.4396 20.4396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8574 0.1902 ( 520 PWs) bands (ev): -6.8035 -6.8035 -5.8014 -5.8014 -1.0989 -1.0989 5.6666 5.6666 8.6564 8.6564 17.4480 17.4480 18.7382 18.7382 19.5705 19.5705 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8574 0.3358 ( 522 PWs) bands (ev): -7.5772 -7.5772 -5.5726 -5.5726 0.2257 0.2257 4.6767 4.6767 9.4431 9.4431 15.5597 15.5597 19.5855 19.5855 19.7936 19.7936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8574 0.4814 ( 523 PWs) bands (ev): -8.4271 -8.4271 -4.7259 -4.7259 0.8681 0.8681 3.7004 3.7004 10.3843 10.3843 14.8622 14.8622 19.4097 19.4097 20.7147 20.7147 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8574 0.6270 ( 520 PWs) bands (ev): -9.0223 -9.0223 -3.6085 -3.6085 0.5471 0.5471 2.9383 2.9383 11.3073 11.3073 15.6485 15.6485 18.9885 18.9885 21.2754 21.2754 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8574 0.7725 ( 526 PWs) bands (ev): -9.3173 -9.3173 -2.4370 -2.4370 -0.3686 -0.3686 2.4846 2.4846 11.8763 11.8763 17.4947 17.4947 18.6851 18.6851 19.8954 19.8954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8574 0.9181 ( 529 PWs) bands (ev): -9.3010 -9.3010 -2.3850 -2.3850 -0.4113 -0.4113 2.3806 2.3806 11.7095 11.7095 17.2863 17.2863 18.7527 18.7527 20.4230 20.4230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8574-0.6832 ( 525 PWs) bands (ev): -8.9751 -8.9751 -3.5381 -3.5381 0.5019 0.5019 2.6343 2.6343 10.9299 10.9299 15.3970 15.3970 19.5642 19.5642 22.4894 22.4894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8574-0.5376 ( 526 PWs) bands (ev): -8.3534 -8.3534 -4.6612 -4.6612 0.8291 0.8291 3.2234 3.2234 9.9957 9.9957 14.5948 14.5948 20.2517 20.2517 22.4531 22.4531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8574-0.3921 ( 525 PWs) bands (ev): -7.4852 -7.4852 -5.5227 -5.5227 0.1767 0.1767 4.0826 4.0826 9.1919 9.1919 15.2645 15.2645 19.7594 19.7594 21.9992 21.9992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8574-0.2465 ( 523 PWs) bands (ev): -6.7317 -6.7317 -5.7448 -5.7448 -1.1650 -1.1650 5.0754 5.0754 8.6160 8.6160 17.0370 17.0370 18.6984 18.6984 21.2070 21.2070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8574-0.1009 ( 519 PWs) bands (ev): -6.7782 -6.7782 -4.7922 -4.7922 -2.6019 -2.6019 5.9474 5.9474 8.2568 8.2568 17.7183 17.7183 19.4825 19.4825 20.3265 20.3265 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8574 0.0447 ( 515 PWs) bands (ev): -6.7957 -6.7957 -4.8563 -4.8563 -2.5418 -2.5418 6.2468 6.2468 8.1963 8.1963 17.8346 17.8346 19.5018 19.5018 20.1494 20.1494 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.7264 0.1268 ( 518 PWs) bands (ev): -8.1124 -8.1124 -4.2955 -4.2955 -0.9186 -0.9186 5.1417 5.1417 9.4341 9.4341 17.0677 17.0677 17.5522 17.5522 20.0152 20.0152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.7264 0.2724 ( 524 PWs) bands (ev): -7.6858 -7.6858 -5.4695 -5.4695 0.2216 0.2216 5.1564 5.1564 9.0366 9.0366 15.5383 15.5383 17.6182 17.6182 20.9620 20.9620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.7264 0.4180 ( 523 PWs) bands (ev): -7.2107 -7.2107 -6.1919 -6.1919 0.7001 0.7001 4.8744 4.8744 9.0327 9.0327 14.7597 14.7597 18.4891 18.4891 21.1153 21.1153 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.7264 0.5635 ( 523 PWs) bands (ev): -7.5281 -7.5281 -5.5748 -5.5748 0.2109 0.2109 4.3818 4.3818 9.5003 9.5003 15.4682 15.4682 19.5520 19.5520 20.4158 20.4158 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.7264 0.7091 ( 526 PWs) bands (ev): -7.9261 -7.9261 -4.3828 -4.3828 -0.9487 -0.9487 3.9474 3.9474 10.0657 10.0657 17.3015 17.3015 19.1775 19.1775 20.5268 20.5268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.7264 0.8547 ( 524 PWs) bands (ev): -8.0611 -8.0611 -3.4535 -3.4535 -1.9020 -1.9020 3.7344 3.7344 10.2459 10.2459 18.4922 18.4922 19.2104 19.2104 20.1257 20.1257 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.7264-0.7466 ( 525 PWs) bands (ev): -7.9042 -7.9042 -4.3292 -4.3292 -0.9910 -0.9910 3.7916 3.7916 9.8388 9.8388 17.0919 17.0919 19.0930 19.0930 21.8564 21.8564 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.7264-0.6011 ( 525 PWs) bands (ev): -7.4852 -7.4852 -5.5227 -5.5227 0.1767 0.1767 4.0826 4.0826 9.1919 9.1919 15.2645 15.2645 19.7594 19.7594 21.9992 21.9992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.7264-0.4555 ( 524 PWs) bands (ev): -7.1535 -7.1535 -6.1483 -6.1483 0.6721 0.6721 4.4751 4.4751 8.7652 8.7652 14.5571 14.5571 19.1275 19.1275 22.3159 22.3159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.7264-0.3099 ( 524 PWs) bands (ev): -7.6464 -7.6464 -5.4137 -5.4137 0.1875 0.1875 4.7731 4.7731 8.8413 8.8413 15.3221 15.3221 18.0344 18.0344 21.9897 21.9897 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.7264-0.1643 ( 524 PWs) bands (ev): -8.0924 -8.0924 -4.2394 -4.2394 -0.9615 -0.9615 4.9162 4.9162 9.3124 9.3124 16.9737 16.9737 17.5082 17.5082 20.7429 20.7429 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.7264-0.0188 ( 519 PWs) bands (ev): -8.2552 -8.2552 -3.3862 -3.3862 -1.8530 -1.8530 5.0211 5.0211 9.6405 9.6405 16.8958 16.8958 19.4158 19.4158 19.9405 19.9405 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5954 0.0634 ( 517 PWs) bands (ev): -9.5172 -9.5172 -2.3574 -2.3574 -0.3479 -0.3479 3.8817 3.8817 11.2367 11.2367 15.3163 15.3163 17.7035 17.7035 20.3808 20.3808 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5954 0.2090 ( 525 PWs) bands (ev): -9.2008 -9.2008 -3.4969 -3.4969 0.5482 0.5482 4.1516 4.1516 10.5564 10.5564 15.4862 15.4862 15.8692 15.8692 22.1167 22.1167 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5954 0.3546 ( 525 PWs) bands (ev): -8.5742 -8.5742 -4.5916 -4.5916 0.8600 0.8600 4.5751 4.5751 9.6424 9.6424 14.8047 14.8047 16.4584 16.4584 22.5510 22.5510 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5954 0.5001 ( 526 PWs) bands (ev): -7.6782 -7.6782 -5.4330 -5.4330 0.2053 0.2053 5.0069 5.0069 8.9469 8.9469 15.4333 15.4333 17.6071 17.6071 21.4354 21.4354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5954 0.6457 ( 521 PWs) bands (ev): -6.7607 -6.7607 -5.7618 -5.7618 -1.1411 -1.1411 5.2468 5.2468 8.7095 8.7095 17.1661 17.1661 18.6776 18.6776 20.1919 20.1919 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5954 0.7913 ( 520 PWs) bands (ev): -6.6375 -6.6375 -4.9097 -4.9097 -2.6035 -2.6035 5.2653 5.2653 8.7671 8.7671 17.9896 17.9896 19.6770 19.6770 20.4751 20.4751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5954-0.8100 ( 520 PWs) bands (ev): -6.6302 -6.6302 -4.8878 -4.8878 -2.6250 -2.6250 5.2055 5.2055 8.7238 8.7238 17.9761 17.9761 19.3655 19.3655 21.2785 21.2785 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5954-0.6645 ( 523 PWs) bands (ev): -6.7317 -6.7317 -5.7448 -5.7448 -1.1650 -1.1650 5.0754 5.0754 8.6160 8.6160 17.0370 17.0370 18.6984 18.6984 21.2070 21.2070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5954-0.5189 ( 524 PWs) bands (ev): -7.6464 -7.6464 -5.4137 -5.4137 0.1875 0.1875 4.7731 4.7731 8.8413 8.8413 15.3221 15.3221 18.0344 18.0344 21.9897 21.9897 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5954-0.3733 ( 524 PWs) bands (ev): -8.5492 -8.5492 -4.5666 -4.5666 0.8457 0.8457 4.3553 4.3553 9.5321 9.5321 14.7004 14.7004 16.8396 16.8396 23.0427 23.0427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5954-0.2277 ( 526 PWs) bands (ev): -9.1849 -9.1849 -3.4700 -3.4700 0.5315 0.5315 4.0006 4.0006 10.4678 10.4678 15.4519 15.4519 16.0094 16.0094 22.5515 22.5515 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5954-0.0822 ( 522 PWs) bands (ev): -9.5118 -9.5118 -2.3378 -2.3378 -0.3636 -0.3636 3.8283 3.8283 11.2046 11.2046 15.3559 15.3559 17.6124 17.6124 20.5661 20.5661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.4643-0.0000 ( 517 PWs) bands (ev): -10.6448 -10.6448 -0.6174 -0.6174 0.7100 0.7100 2.7146 2.7146 12.8971 12.8971 14.1888 14.1888 17.4373 17.4373 18.9417 18.9417 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.4643 0.1456 ( 521 PWs) bands (ev): -10.4801 -10.4801 -1.3585 -1.3585 1.1840 1.1840 2.8620 2.8620 12.6064 12.6064 14.2212 14.2212 15.9778 15.9778 20.9988 20.9988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.4643 0.2911 ( 523 PWs) bands (ev): -9.9896 -9.9896 -2.4756 -2.4756 1.3341 1.3341 3.2985 3.2985 11.6629 11.6629 14.6475 14.6475 15.1959 15.1959 23.4638 23.4638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.4643 0.4367 ( 526 PWs) bands (ev): -9.1849 -9.1849 -3.4700 -3.4700 0.5315 0.5315 4.0006 4.0006 10.4678 10.4678 15.4519 15.4519 16.0094 16.0094 22.5515 22.5515 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.4643 0.5823 ( 524 PWs) bands (ev): -8.0924 -8.0924 -4.2394 -4.2394 -0.9615 -0.9615 4.9162 4.9162 9.3124 9.3124 16.9737 16.9737 17.5082 17.5082 20.7429 20.7429 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.4643 0.7279 ( 519 PWs) bands (ev): -6.7782 -6.7782 -4.7922 -4.7922 -2.6019 -2.6019 5.9474 5.9474 8.2568 8.2568 17.7183 17.7183 19.4825 19.4825 20.3265 20.3265 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.4643-0.8734 ( 522 PWs) bands (ev): -5.5406 -5.5406 -5.4448 -5.4448 -3.5063 -3.5063 6.7238 6.7238 7.5045 7.5045 17.5335 17.5335 20.5405 20.5405 21.0514 21.0514 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.4643-0.7279 ( 519 PWs) bands (ev): -6.7782 -6.7782 -4.7922 -4.7922 -2.6019 -2.6019 5.9474 5.9474 8.2568 8.2568 17.7183 17.7183 19.4825 19.4825 20.3265 20.3265 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.4643-0.5823 ( 524 PWs) bands (ev): -8.0924 -8.0924 -4.2394 -4.2394 -0.9615 -0.9615 4.9162 4.9162 9.3124 9.3124 16.9737 16.9737 17.5082 17.5082 20.7429 20.7429 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.4643-0.4367 ( 526 PWs) bands (ev): -9.1849 -9.1849 -3.4700 -3.4700 0.5315 0.5315 4.0006 4.0006 10.4678 10.4678 15.4519 15.4519 16.0094 16.0094 22.5515 22.5515 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.4643-0.2911 ( 523 PWs) bands (ev): -9.9896 -9.9896 -2.4756 -2.4756 1.3341 1.3341 3.2985 3.2985 11.6629 11.6629 14.6475 14.6475 15.1959 15.1959 23.4638 23.4638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.4643-0.1456 ( 521 PWs) bands (ev): -10.4801 -10.4801 -1.3585 -1.3585 1.1840 1.1840 2.8620 2.8620 12.6064 12.6064 14.2212 14.2212 15.9778 15.9778 20.9988 20.9988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3333-0.0634 ( 519 PWs) bands (ev): -11.4601 -11.4601 0.7043 0.7043 1.8038 1.8038 2.0867 2.0867 12.6607 12.6607 15.2066 15.2066 16.2535 16.2535 18.7478 18.7478 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3333 0.0822 ( 517 PWs) bands (ev): -11.4540 -11.4540 0.7162 0.7162 1.7511 1.7511 2.0769 2.0769 12.7803 12.7803 15.1458 15.1458 16.2189 16.2189 18.7652 18.7652 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3333 0.2277 ( 518 PWs) bands (ev): -11.1161 -11.1161 -0.2664 -0.2664 2.0226 2.0226 2.0720 2.0720 13.2241 13.2241 14.3464 14.3464 15.4191 15.4191 20.6695 20.6695 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3333 0.3733 ( 519 PWs) bands (ev): -10.4523 -10.4523 -1.3431 -1.3431 1.1687 1.1687 2.6239 2.6239 12.6772 12.6772 14.5549 14.5549 15.9212 15.9212 21.0447 21.0447 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3333 0.5189 ( 522 PWs) bands (ev): -9.4764 -9.4764 -2.3309 -2.3309 -0.3821 -0.3821 3.5366 3.5366 11.2555 11.2555 15.8753 15.8753 17.5203 17.5203 20.6659 20.6659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3333 0.6645 ( 521 PWs) bands (ev): -8.2155 -8.2155 -3.4014 -3.4014 -1.8620 -1.8620 4.7178 4.7178 9.7658 9.7658 17.2465 17.2465 19.4747 19.4747 20.2625 20.2625 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3333-0.9369 ( 520 PWs) bands (ev): -6.7592 -6.7592 -4.8877 -4.8877 -2.5416 -2.5416 6.0252 6.0252 8.3534 8.3534 17.7787 17.7787 19.9950 19.9950 20.4396 20.4396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3333-0.7913 ( 515 PWs) bands (ev): -6.7957 -6.7957 -4.8563 -4.8563 -2.5418 -2.5418 6.2468 6.2468 8.1963 8.1963 17.8346 17.8346 19.5018 19.5018 20.1494 20.1494 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3333-0.6457 ( 519 PWs) bands (ev): -8.2552 -8.2552 -3.3862 -3.3862 -1.8530 -1.8530 5.0211 5.0211 9.6405 9.6405 16.8958 16.8958 19.4158 19.4158 19.9405 19.9405 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3333-0.5001 ( 522 PWs) bands (ev): -9.5118 -9.5118 -2.3378 -2.3378 -0.3636 -0.3636 3.8283 3.8283 11.2046 11.2046 15.3559 15.3559 17.6124 17.6124 20.5661 20.5661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3333-0.3546 ( 521 PWs) bands (ev): -10.4801 -10.4801 -1.3585 -1.3585 1.1840 1.1840 2.8620 2.8620 12.6064 12.6064 14.2212 14.2212 15.9778 15.9778 20.9988 20.9988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3333-0.2090 ( 512 PWs) bands (ev): -11.1337 -11.1337 -0.2838 -0.2838 2.0841 2.0841 2.1778 2.1778 12.8976 12.8976 14.4587 14.4587 15.4714 15.4714 20.6698 20.6698 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3034-0.1902 ( 515 PWs) bands (ev): -11.1162 -11.1162 -0.3086 -0.3086 2.0296 2.0296 2.0927 2.0927 13.1081 13.1081 14.7386 14.7386 15.4996 15.4996 20.6687 20.6687 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3034-0.0447 ( 521 PWs) bands (ev): -11.4307 -11.4307 0.6861 0.6861 1.5572 1.5572 2.0912 2.0912 13.1496 13.1496 15.3572 15.3572 16.2527 16.2527 18.7197 18.7197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3034 0.1009 ( 516 PWs) bands (ev): -11.4139 -11.4139 0.7179 0.7179 1.4231 1.4231 2.0651 2.0651 13.4811 13.4811 15.1833 15.1833 16.1622 16.1622 18.7683 18.7683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3034 0.2465 ( 515 PWs) bands (ev): -11.0672 -11.0672 -0.2610 -0.2610 1.6333 1.6333 2.0599 2.0599 13.8557 13.8557 14.5479 14.5479 15.3903 15.3903 20.6683 20.6683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3034 0.3921 ( 521 PWs) bands (ev): -10.3977 -10.3977 -1.3424 -1.3424 1.1545 1.1545 2.2039 2.2039 12.7746 12.7746 15.3257 15.3257 15.9821 15.9821 21.0427 21.0427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3034 0.5376 ( 525 PWs) bands (ev): -9.4194 -9.4194 -2.3385 -2.3385 -0.3988 -0.3988 3.1181 3.1181 11.3701 11.3701 16.7028 16.7028 17.5013 17.5013 20.6412 20.6412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3034-1.0637 ( 523 PWs) bands (ev): -8.1602 -8.1602 -3.4212 -3.4212 -1.8755 -1.8755 4.3349 4.3349 9.9356 9.9356 17.7499 17.7499 19.3569 19.3569 20.2532 20.2532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3034-0.9181 ( 519 PWs) bands (ev): -6.7125 -6.7125 -4.9099 -4.9099 -2.5549 -2.5549 5.7270 5.7270 8.5478 8.5478 17.9689 17.9689 19.8830 19.8830 20.1320 20.1320 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3034-0.7725 ( 518 PWs) bands (ev): -6.8130 -6.8130 -4.8243 -4.8243 -2.5550 -2.5550 6.2979 6.2979 8.1424 8.1424 18.2359 18.2359 18.6063 18.6063 20.0439 20.0439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3034-0.6270 ( 513 PWs) bands (ev): -8.2695 -8.2695 -3.3805 -3.3805 -1.8499 -1.8499 5.1383 5.1383 9.5934 9.5934 16.7720 16.7720 19.2838 19.2838 19.8452 19.8452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3034-0.4814 ( 517 PWs) bands (ev): -9.5172 -9.5172 -2.3574 -2.3574 -0.3479 -0.3479 3.8817 3.8817 11.2367 11.2367 15.3163 15.3163 17.7035 17.7035 20.3808 20.3808 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3034-0.3358 ( 519 PWs) bands (ev): -10.4745 -10.4745 -1.3841 -1.3841 1.1963 1.1963 2.8195 2.8195 12.6494 12.6494 14.4372 14.4372 16.0298 16.0298 20.9106 20.9106 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1723-0.2536 ( 521 PWs) bands (ev): -11.4307 -11.4307 0.6861 0.6861 1.5572 1.5572 2.0912 2.0912 13.1496 13.1496 15.3572 15.3572 16.2527 16.2527 18.7197 18.7197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1723-0.1081 ( 525 PWs) bands (ev): -11.9074 -11.9074 0.8467 0.8467 1.8021 1.8021 2.9822 2.9822 12.9500 12.9500 15.6632 15.6632 16.6760 16.6760 18.1133 18.1133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1723 0.0375 ( 522 PWs) bands (ev): -12.0522 -12.0522 0.5037 0.5037 2.4240 2.4240 3.0849 3.0849 13.1448 13.1448 15.9489 15.9489 17.0832 17.0832 17.1738 17.1738 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1723 0.1831 ( 520 PWs) bands (ev): -11.8648 -11.8648 0.5281 0.5281 1.8404 1.8404 2.9501 2.9501 13.7258 13.7258 15.5768 15.5768 16.5124 16.5124 18.1177 18.1177 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1723 0.3287 ( 518 PWs) bands (ev): -11.3491 -11.3491 0.6998 0.6998 0.9607 0.9607 2.0546 2.0546 14.5205 14.5205 15.3856 15.3856 16.1199 16.1199 18.7562 18.7562 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1723 0.4742 ( 527 PWs) bands (ev): -10.5143 -10.5143 -0.6464 -0.6464 0.6912 0.6912 1.7222 1.7222 13.4703 13.4703 16.1556 16.1556 17.3503 17.3503 18.8653 18.8653 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1723-1.1271 ( 522 PWs) bands (ev): -9.3769 -9.3769 -2.4300 -2.4300 -0.3510 -0.3510 2.8522 2.8522 11.7391 11.7391 17.3670 17.3670 17.9269 17.9269 19.9664 19.9664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1723-0.9815 ( 522 PWs) bands (ev): -7.9745 -7.9745 -4.3842 -4.3842 -0.9265 -0.9265 4.2425 4.2425 9.9897 9.9897 17.4158 17.4158 18.7920 18.7920 20.4183 20.4183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1723-0.8359 ( 523 PWs) bands (ev): -6.7866 -6.7866 -5.7832 -5.7832 -1.1169 -1.1169 5.4658 5.4658 8.7174 8.7174 17.3230 17.3230 18.8727 18.8727 19.4270 19.4270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1723-0.6904 ( 523 PWs) bands (ev): -8.1163 -8.1163 -4.2606 -4.2606 -0.9379 -0.9379 5.1266 5.1266 9.3417 9.3417 16.9039 16.9039 17.4711 17.4711 20.1887 20.1887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1723-0.5448 ( 522 PWs) bands (ev): -9.5118 -9.5118 -2.3378 -2.3378 -0.3636 -0.3636 3.8283 3.8283 11.2046 11.2046 15.3559 15.3559 17.6124 17.6124 20.5661 20.5661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1723-0.3992 ( 523 PWs) bands (ev): -10.6277 -10.6277 -0.6215 -0.6215 0.7075 0.7075 2.5675 2.5675 13.0192 13.0192 14.4003 14.4003 17.4170 17.4170 18.9343 18.9343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0413-0.3170 ( 516 PWs) bands (ev): -11.4139 -11.4139 0.7179 0.7179 1.4231 1.4231 2.0651 2.0651 13.4811 13.4811 15.1833 15.1833 16.1622 16.1622 18.7683 18.7683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0413-0.1715 ( 522 PWs) bands (ev): -12.0522 -12.0522 0.5037 0.5037 2.4240 2.4240 3.0849 3.0849 13.1448 13.1448 15.9489 15.9489 17.0832 17.0832 17.1738 17.1738 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0413-0.0259 ( 530 PWs) bands (ev): -12.3600 -12.3600 -0.0477 -0.0477 3.4468 3.4468 3.7774 3.7774 13.1961 13.1961 15.6529 15.6529 16.2548 16.2548 18.1412 18.1412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0413 0.1197 ( 529 PWs) bands (ev): -12.3350 -12.3350 -0.2202 -0.2202 3.4672 3.4672 3.7565 3.7565 13.6501 13.6501 15.6273 15.6273 16.2603 16.2603 18.1237 18.1237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0413 0.2653 ( 525 PWs) bands (ev): -11.9796 -11.9796 0.0005 0.0005 2.4141 2.4141 3.0787 3.0787 14.4522 14.4522 15.9626 15.9626 17.1275 17.1275 17.1869 17.1869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0413 0.4108 ( 527 PWs) bands (ev): -11.3001 -11.3001 0.5752 0.5752 0.7056 0.7056 2.0827 2.0827 14.9718 14.9718 16.0660 16.0660 16.3448 16.3448 18.6566 18.6566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0413-1.1905 ( 523 PWs) bands (ev): -10.3073 -10.3073 -1.4509 -1.4509 1.1900 1.1900 1.6166 1.6166 13.3311 13.3311 15.9108 15.9108 17.4748 17.4748 20.6141 20.6141 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0413-1.0449 ( 520 PWs) bands (ev): -9.0223 -9.0223 -3.6085 -3.6085 0.5471 0.5471 2.9383 2.9383 11.3073 11.3073 15.6485 15.6485 18.9885 18.9885 21.2754 21.2754 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0413-0.8993 ( 523 PWs) bands (ev): -7.5281 -7.5281 -5.5748 -5.5748 0.2109 0.2109 4.3818 4.3818 9.5003 9.5003 15.4682 15.4682 19.5520 19.5520 20.4158 20.4158 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0413-0.7538 ( 526 PWs) bands (ev): -7.6782 -7.6782 -5.4330 -5.4330 0.2053 0.2053 5.0069 5.0069 8.9469 8.9469 15.4333 15.4333 17.6071 17.6071 21.4354 21.4354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0413-0.6082 ( 526 PWs) bands (ev): -9.1849 -9.1849 -3.4700 -3.4700 0.5315 0.5315 4.0006 4.0006 10.4678 10.4678 15.4519 15.4519 16.0094 16.0094 22.5515 22.5515 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0413-0.4626 ( 519 PWs) bands (ev): -10.4523 -10.4523 -1.3431 -1.3431 1.1687 1.1687 2.6239 2.6239 12.6772 12.6772 14.5549 14.5549 15.9212 15.9212 21.0447 21.0447 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0897-0.3805 ( 515 PWs) bands (ev): -11.0672 -11.0672 -0.2610 -0.2610 1.6333 1.6333 2.0599 2.0599 13.8557 13.8557 14.5479 14.5479 15.3903 15.3903 20.6683 20.6683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0897-0.2349 ( 520 PWs) bands (ev): -11.8648 -11.8648 0.5281 0.5281 1.8404 1.8404 2.9501 2.9501 13.7258 13.7258 15.5768 15.5768 16.5124 16.5124 18.1177 18.1177 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0897-0.0893 ( 529 PWs) bands (ev): -12.3350 -12.3350 -0.2202 -0.2202 3.4672 3.4672 3.7565 3.7565 13.6501 13.6501 15.6273 15.6273 16.2603 16.2603 18.1237 18.1237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0897 0.0563 ( 532 PWs) bands (ev): -12.4742 -12.4742 -0.5885 -0.5885 4.1029 4.1029 4.1121 4.1121 13.9667 13.9667 15.5478 15.5478 15.5556 15.5556 18.7181 18.7181 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0897 0.2018 ( 526 PWs) bands (ev): -12.2827 -12.2827 -0.5567 -0.5567 3.4396 3.4396 3.7724 3.7724 14.6326 14.6326 15.6514 15.6514 16.2454 16.2454 18.2037 18.2037 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0897 0.3474 ( 529 PWs) bands (ev): -11.7649 -11.7649 -0.1192 -0.1192 1.7743 1.7743 2.9732 2.9732 15.3549 15.3549 15.7842 15.7842 17.0026 17.0026 18.0985 18.0985 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0897-1.2539 ( 524 PWs) bands (ev): -10.9288 -10.9288 -0.3614 -0.3614 0.7232 0.7232 2.0824 2.0824 14.5761 14.5761 15.3572 15.3572 17.4030 17.4030 20.6598 20.6598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0897-1.1083 ( 518 PWs) bands (ev): -9.7885 -9.7885 -2.5949 -2.5949 1.3377 1.3377 1.9271 1.9271 12.4954 12.4954 15.0261 15.0261 18.8700 18.8700 22.2231 22.2231 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0897-0.9628 ( 529 PWs) bands (ev): -8.3766 -8.3766 -4.7227 -4.7227 0.8549 0.8549 3.3944 3.3944 10.4010 10.4010 14.7719 14.7719 20.1876 20.1876 20.9045 20.9045 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0897-0.8172 ( 523 PWs) bands (ev): -7.1839 -7.1839 -6.1678 -6.1678 0.6861 0.6861 4.6521 4.6521 8.9450 8.9450 14.6575 14.6575 18.6162 18.6162 21.8140 21.8140 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0897-0.6716 ( 524 PWs) bands (ev): -8.5492 -8.5492 -4.5666 -4.5666 0.8457 0.8457 4.3553 4.3553 9.5321 9.5321 14.7004 14.7004 16.8396 16.8396 23.0427 23.0427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0897-0.5260 ( 526 PWs) bands (ev): -9.9528 -9.9528 -2.4613 -2.4613 1.3202 1.3202 2.9936 2.9936 11.6414 11.6414 14.8111 14.8111 15.5421 15.5421 23.4690 23.4690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2208-0.4439 ( 521 PWs) bands (ev): -10.3977 -10.3977 -1.3424 -1.3424 1.1545 1.1545 2.2039 2.2039 12.7746 12.7746 15.3257 15.3257 15.9821 15.9821 21.0427 21.0427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2208-0.2983 ( 518 PWs) bands (ev): -11.3491 -11.3491 0.6998 0.6998 0.9607 0.9607 2.0546 2.0546 14.5205 14.5205 15.3856 15.3856 16.1199 16.1199 18.7562 18.7562 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2208-0.1527 ( 525 PWs) bands (ev): -11.9796 -11.9796 0.0005 0.0005 2.4141 2.4141 3.0787 3.0787 14.4522 14.4522 15.9626 15.9626 17.1275 17.1275 17.1869 17.1869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2208-0.0071 ( 526 PWs) bands (ev): -12.2827 -12.2827 -0.5567 -0.5567 3.4396 3.4396 3.7724 3.7724 14.6326 14.6326 15.6514 15.6514 16.2454 16.2454 18.2037 18.2037 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2208 0.1384 ( 524 PWs) bands (ev): -12.2568 -12.2568 -0.7128 -0.7128 3.4598 3.4598 3.7516 3.7516 15.1258 15.1258 15.6568 15.6568 16.2508 16.2508 18.1785 18.1785 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2208 0.2840 ( 525 PWs) bands (ev): -11.9046 -11.9046 -0.4572 -0.4572 2.4051 2.4051 3.0722 3.0722 15.7148 15.7148 16.1659 16.1659 17.1381 17.1381 17.2782 17.2782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2208-1.3173 ( 525 PWs) bands (ev): -11.2319 -11.2319 0.2043 0.2043 0.6634 0.6634 2.0720 2.0720 15.3634 15.3634 16.0762 16.0762 17.4344 17.4344 18.6396 18.6396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2208-1.1717 ( 525 PWs) bands (ev): -10.2491 -10.2491 -1.4502 -1.4502 1.1743 1.1743 1.2720 1.2720 13.4290 13.4290 15.8503 15.8503 18.6615 18.6615 20.5933 20.5933 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2208-1.0262 ( 529 PWs) bands (ev): -8.9761 -8.9761 -3.6001 -3.6001 0.5302 0.5302 2.6623 2.6623 11.3056 11.3056 15.5562 15.5562 19.7665 19.7665 21.4203 21.4203 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2208-0.8806 ( 526 PWs) bands (ev): -7.4941 -7.4941 -5.5568 -5.5568 0.1929 0.1929 4.1687 4.1687 9.4039 9.4039 15.3601 15.3601 19.5805 19.5805 21.2396 21.2396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2208-0.7350 ( 524 PWs) bands (ev): -7.6464 -7.6464 -5.4137 -5.4137 0.1875 0.1875 4.7731 4.7731 8.8413 8.8413 15.3221 15.3221 18.0344 18.0344 21.9897 21.9897 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2208-0.5894 ( 526 PWs) bands (ev): -9.1418 -9.1418 -3.4608 -3.4608 0.5148 0.5148 3.6633 3.6633 10.4501 10.4501 15.4251 15.4251 16.6503 16.6503 23.0759 23.0759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3518-0.5073 ( 525 PWs) bands (ev): -9.4194 -9.4194 -2.3385 -2.3385 -0.3988 -0.3988 3.1181 3.1181 11.3701 11.3701 16.7028 16.7028 17.5013 17.5013 20.6412 20.6412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3518-0.3617 ( 527 PWs) bands (ev): -10.5143 -10.5143 -0.6464 -0.6464 0.6912 0.6912 1.7222 1.7222 13.4703 13.4703 16.1556 16.1556 17.3503 17.3503 18.8653 18.8653 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3518-0.2161 ( 527 PWs) bands (ev): -11.3001 -11.3001 0.5752 0.5752 0.7056 0.7056 2.0827 2.0827 14.9718 14.9718 16.0660 16.0660 16.3448 16.3448 18.6566 18.6566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3518-0.0706 ( 529 PWs) bands (ev): -11.7649 -11.7649 -0.1192 -0.1192 1.7743 1.7743 2.9732 2.9732 15.3549 15.3549 15.7842 15.7842 17.0026 17.0026 18.0985 18.0985 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3518 0.0750 ( 525 PWs) bands (ev): -11.9046 -11.9046 -0.4572 -0.4572 2.4051 2.4051 3.0722 3.0722 15.7148 15.7148 16.1659 16.1659 17.1381 17.1381 17.2782 17.2782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3518 0.2206 ( 521 PWs) bands (ev): -11.7194 -11.7194 -0.3838 -0.3838 1.8133 1.8133 2.9416 2.9416 15.4491 15.4491 16.4922 16.4922 16.9348 16.9348 18.1024 18.1024 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3518-1.3807 ( 527 PWs) bands (ev): -11.2136 -11.2136 0.1013 0.1013 0.6955 0.6955 2.0461 2.0461 15.3528 15.3528 15.9657 15.9657 17.7287 17.7287 18.6965 18.6965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3518-1.2352 ( 529 PWs) bands (ev): -10.3951 -10.3951 -0.6695 -0.6695 0.6729 0.6729 1.0005 1.0005 13.7626 13.7626 17.1655 17.1655 18.6114 18.6114 18.8027 18.8027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3518-1.0896 ( 522 PWs) bands (ev): -9.2787 -9.2787 -2.4301 -2.4301 -0.3877 -0.3877 2.2620 2.2620 11.9193 11.9193 17.4295 17.4295 19.1942 19.1942 20.0343 20.0343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3518-0.9440 ( 527 PWs) bands (ev): -7.9001 -7.9001 -4.3628 -4.3628 -0.9723 -0.9723 3.7874 3.7874 10.0067 10.0067 17.1822 17.1822 19.1886 19.1886 21.1730 21.1730 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3518-0.7984 ( 523 PWs) bands (ev): -6.7317 -6.7317 -5.7448 -5.7448 -1.1650 -1.1650 5.0754 5.0754 8.6160 8.6160 17.0370 17.0370 18.6984 18.6984 21.2070 21.2070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3518-0.6529 ( 523 PWs) bands (ev): -8.0463 -8.0463 -4.2381 -4.2381 -0.9830 -0.9830 4.5901 4.5901 9.3436 9.3436 17.0335 17.0335 17.8650 17.8650 21.5647 23.0390 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0896 0.1902 ( 523 PWs) bands (ev): -8.1602 -8.1602 -3.4212 -3.4212 -1.8755 -1.8755 4.3349 4.3349 9.9356 9.9356 17.7499 17.7499 19.3569 19.3569 20.2532 20.2532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0896 0.3358 ( 522 PWs) bands (ev): -9.3769 -9.3769 -2.4300 -2.4300 -0.3510 -0.3510 2.8522 2.8522 11.7391 11.7391 17.3670 17.3670 17.9269 17.9269 19.9664 19.9664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0896 0.4814 ( 523 PWs) bands (ev): -10.3073 -10.3073 -1.4509 -1.4509 1.1900 1.1900 1.6166 1.6166 13.3311 13.3311 15.9108 15.9108 17.4748 17.4748 20.6141 20.6141 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0896 0.6270 ( 524 PWs) bands (ev): -10.9288 -10.9288 -0.3614 -0.3614 0.7232 0.7232 2.0824 2.0824 14.5761 14.5761 15.3572 15.3572 17.4030 17.4030 20.6598 20.6598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0896 0.7725 ( 525 PWs) bands (ev): -11.2319 -11.2319 0.2043 0.2043 0.6634 0.6634 2.0720 2.0720 15.3634 15.3634 16.0762 16.0762 17.4344 17.4344 18.6396 18.6396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0896 0.9181 ( 527 PWs) bands (ev): -11.2136 -11.2136 0.1013 0.1013 0.6955 0.6955 2.0461 2.0461 15.3528 15.3528 15.9657 15.9657 17.7287 17.7287 18.6965 18.6965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0896-0.6832 ( 520 PWs) bands (ev): -10.8757 -10.8757 -0.3146 -0.3146 0.4171 0.4171 2.0498 2.0498 14.5069 14.5069 15.1812 15.1812 18.4082 18.4082 20.6588 20.6588 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0896-0.5376 ( 527 PWs) bands (ev): -10.2246 -10.2246 -1.4104 -1.4104 1.1234 1.1234 1.1538 1.1538 13.2696 13.2696 15.7144 15.7144 19.0940 19.0940 20.7961 20.7961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0896-0.3921 ( 530 PWs) bands (ev): -9.2727 -9.2727 -2.4112 -2.4112 -0.4035 -0.4035 2.2252 2.2252 11.8550 11.8550 17.3493 17.3493 19.1816 19.1816 20.2803 20.2803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0896-0.2465 ( 526 PWs) bands (ev): -8.0453 -8.0453 -3.4583 -3.4583 -1.9065 -1.9065 3.6471 3.6471 10.2971 10.2971 18.5088 18.5088 19.2847 19.2847 20.1070 20.1070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0896-0.1009 ( 520 PWs) bands (ev): -6.6302 -6.6302 -4.8878 -4.8878 -2.6250 -2.6250 5.2055 5.2055 8.7238 8.7238 17.9761 17.9761 19.3655 19.3655 21.2785 21.2785 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0896 0.0447 ( 523 PWs) bands (ev): -6.7345 -6.7345 -4.8017 -4.8017 -2.6233 -2.6233 5.6895 5.6895 8.3462 8.3462 17.7973 17.7973 19.2567 19.2567 21.5683 21.5684 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9586 0.1268 ( 519 PWs) bands (ev): -6.7125 -6.7125 -4.9099 -4.9099 -2.5549 -2.5549 5.7270 5.7270 8.5478 8.5478 17.9689 17.9689 19.8830 19.8830 20.1320 20.1320 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9586 0.2724 ( 522 PWs) bands (ev): -7.9745 -7.9745 -4.3842 -4.3842 -0.9265 -0.9265 4.2425 4.2425 9.9897 9.9897 17.4158 17.4158 18.7920 18.7920 20.4183 20.4183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9586 0.4180 ( 520 PWs) bands (ev): -9.0223 -9.0223 -3.6085 -3.6085 0.5471 0.5471 2.9383 2.9383 11.3073 11.3073 15.6485 15.6485 18.9885 18.9885 21.2754 21.2754 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9586 0.5635 ( 518 PWs) bands (ev): -9.7885 -9.7885 -2.5949 -2.5949 1.3377 1.3377 1.9271 1.9271 12.4954 12.4954 15.0261 15.0261 18.8700 18.8700 22.2231 22.2231 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9586 0.7091 ( 525 PWs) bands (ev): -10.2491 -10.2491 -1.4502 -1.4502 1.1743 1.1743 1.2720 1.2720 13.4290 13.4290 15.8503 15.8503 18.6615 18.6615 20.5933 20.5933 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9586 0.8547 ( 529 PWs) bands (ev): -10.3951 -10.3951 -0.6695 -0.6695 0.6729 0.6729 1.0005 1.0005 13.7626 13.7626 17.1655 17.1655 18.6114 18.6114 18.8027 18.8027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9586-0.7466 ( 527 PWs) bands (ev): -10.2246 -10.2246 -1.4104 -1.4104 1.1234 1.1234 1.1538 1.1538 13.2696 13.2696 15.7144 15.7144 19.0940 19.0940 20.7961 20.7961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9586-0.6011 ( 530 PWs) bands (ev): -9.7420 -9.7420 -2.5539 -2.5539 1.3115 1.3115 1.6535 1.6535 12.2827 12.2827 14.8657 14.8657 19.7587 19.7587 23.4917 23.4917 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9586-0.4555 ( 532 PWs) bands (ev): -8.9586 -8.9586 -3.5745 -3.5745 0.5136 0.5136 2.5548 2.5548 11.1602 11.1602 15.4648 15.4648 19.9312 19.9312 21.9543 21.9543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9586-0.3099 ( 527 PWs) bands (ev): -7.9001 -7.9001 -4.3628 -4.3628 -0.9723 -0.9723 3.7874 3.7874 10.0067 10.0067 17.1822 17.1822 19.1886 19.1886 21.1730 21.1730 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9586-0.1643 ( 520 PWs) bands (ev): -6.6375 -6.6375 -4.9097 -4.9097 -2.6035 -2.6035 5.2653 5.2653 8.7671 8.7671 17.9896 17.9896 19.6770 19.6770 20.4751 20.4751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9586-0.0188 ( 522 PWs) bands (ev): -5.5412 -5.5412 -5.4442 -5.4442 -3.5064 -3.5064 6.7305 6.7305 7.4959 7.4959 17.6335 17.6335 19.9737 19.9737 21.6382 21.6382 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.8275 0.0634 ( 518 PWs) bands (ev): -6.8130 -6.8130 -4.8243 -4.8243 -2.5550 -2.5550 6.2979 6.2979 8.1424 8.1424 18.2359 18.2359 18.6063 18.6063 20.0439 20.0439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.8275 0.2090 ( 523 PWs) bands (ev): -6.7866 -6.7866 -5.7832 -5.7832 -1.1169 -1.1169 5.4658 5.4658 8.7174 8.7174 17.3230 17.3230 18.8727 18.8727 19.4270 19.4270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.8275 0.3546 ( 523 PWs) bands (ev): -7.5281 -7.5281 -5.5748 -5.5748 0.2109 0.2109 4.3818 4.3818 9.5003 9.5003 15.4682 15.4682 19.5520 19.5520 20.4158 20.4158 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.8275 0.5001 ( 529 PWs) bands (ev): -8.3766 -8.3766 -4.7227 -4.7227 0.8549 0.8549 3.3944 3.3944 10.4010 10.4010 14.7719 14.7719 20.1876 20.1876 20.9045 20.9045 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.8275 0.6457 ( 529 PWs) bands (ev): -8.9761 -8.9761 -3.6001 -3.6001 0.5302 0.5302 2.6623 2.6623 11.3056 11.3056 15.5562 15.5562 19.7665 19.7665 21.4203 21.4203 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.8275 0.7913 ( 522 PWs) bands (ev): -9.2787 -9.2787 -2.4301 -2.4301 -0.3877 -0.3877 2.2620 2.2620 11.9193 11.9193 17.4295 17.4295 19.1942 19.1942 20.0343 20.0343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.8275-0.8100 ( 530 PWs) bands (ev): -9.2727 -9.2727 -2.4112 -2.4112 -0.4035 -0.4035 2.2252 2.2252 11.8550 11.8550 17.3493 17.3493 19.1816 19.1816 20.2803 20.2803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.8275-0.6645 ( 532 PWs) bands (ev): -8.9586 -8.9586 -3.5745 -3.5745 0.5136 0.5136 2.5548 2.5548 11.1602 11.1602 15.4648 15.4648 19.9312 19.9312 21.9543 21.9543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.8275-0.5189 ( 528 PWs) bands (ev): -8.3494 -8.3494 -4.6991 -4.6991 0.8407 0.8407 3.2250 3.2250 10.2506 10.2506 14.6744 14.6744 20.3527 20.3527 21.7079 21.7079 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.8275-0.3733 ( 526 PWs) bands (ev): -7.4941 -7.4941 -5.5568 -5.5568 0.1929 0.1929 4.1687 4.1687 9.4039 9.4039 15.3601 15.3601 19.5805 19.5805 21.2396 21.2396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.8275-0.2277 ( 521 PWs) bands (ev): -6.7607 -6.7607 -5.7618 -5.7618 -1.1411 -1.1411 5.2468 5.2468 8.7095 8.7095 17.1661 17.1661 18.6776 18.6776 20.1919 20.1919 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.8275-0.0822 ( 515 PWs) bands (ev): -6.8067 -6.8067 -4.8005 -4.8005 -2.5770 -2.5770 6.1733 6.1733 8.1826 8.1826 17.9615 17.9615 19.0059 19.0059 19.9347 19.9347 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6965 0.0000 ( 513 PWs) bands (ev): -8.2695 -8.2695 -3.3805 -3.3805 -1.8499 -1.8499 5.1383 5.1383 9.5934 9.5934 16.7720 16.7720 19.2838 19.2838 19.8452 19.8452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6965 0.1456 ( 523 PWs) bands (ev): -8.1163 -8.1163 -4.2606 -4.2606 -0.9379 -0.9379 5.1266 5.1266 9.3417 9.3417 16.9039 16.9039 17.4711 17.4711 20.1887 20.1887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6965 0.2911 ( 526 PWs) bands (ev): -7.6782 -7.6782 -5.4330 -5.4330 0.2053 0.2053 5.0069 5.0069 8.9469 8.9469 15.4333 15.4333 17.6071 17.6071 21.4354 21.4354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6965 0.4367 ( 523 PWs) bands (ev): -7.1839 -7.1839 -6.1678 -6.1678 0.6861 0.6861 4.6521 4.6521 8.9450 8.9450 14.6575 14.6575 18.6162 18.6162 21.8140 21.8140 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6965 0.5823 ( 526 PWs) bands (ev): -7.4941 -7.4941 -5.5568 -5.5568 0.1929 0.1929 4.1687 4.1687 9.4039 9.4039 15.3601 15.3601 19.5805 19.5805 21.2396 21.2396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6965 0.7279 ( 527 PWs) bands (ev): -7.9001 -7.9001 -4.3628 -4.3628 -0.9723 -0.9723 3.7874 3.7874 10.0067 10.0067 17.1822 17.1822 19.1886 19.1886 21.1730 21.1730 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6965-0.8734 ( 526 PWs) bands (ev): -8.0453 -8.0453 -3.4583 -3.4583 -1.9065 -1.9065 3.6471 3.6471 10.2971 10.2971 18.5088 18.5088 19.2847 19.2847 20.1070 20.1070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6965-0.7279 ( 527 PWs) bands (ev): -7.9001 -7.9001 -4.3628 -4.3628 -0.9723 -0.9723 3.7874 3.7874 10.0067 10.0067 17.1822 17.1822 19.1886 19.1886 21.1730 21.1730 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6965-0.5823 ( 526 PWs) bands (ev): -7.4941 -7.4941 -5.5568 -5.5568 0.1929 0.1929 4.1687 4.1687 9.4039 9.4039 15.3601 15.3601 19.5805 19.5805 21.2396 21.2396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6965-0.4367 ( 523 PWs) bands (ev): -7.1839 -7.1839 -6.1678 -6.1678 0.6861 0.6861 4.6521 4.6521 8.9450 8.9450 14.6575 14.6575 18.6162 18.6162 21.8140 21.8140 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6965-0.2911 ( 526 PWs) bands (ev): -7.6782 -7.6782 -5.4330 -5.4330 0.2053 0.2053 5.0069 5.0069 8.9469 8.9469 15.4333 15.4333 17.6071 17.6071 21.4354 21.4354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6965-0.1456 ( 523 PWs) bands (ev): -8.1163 -8.1163 -4.2606 -4.2606 -0.9379 -0.9379 5.1266 5.1266 9.3417 9.3417 16.9039 16.9039 17.4711 17.4711 20.1887 20.1887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5655-0.0634 ( 517 PWs) bands (ev): -9.5172 -9.5172 -2.3574 -2.3574 -0.3479 -0.3479 3.8817 3.8817 11.2367 11.2367 15.3163 15.3163 17.7035 17.7035 20.3808 20.3808 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5655 0.0822 ( 522 PWs) bands (ev): -9.5118 -9.5118 -2.3378 -2.3378 -0.3636 -0.3636 3.8283 3.8283 11.2046 11.2046 15.3559 15.3559 17.6124 17.6124 20.5661 20.5661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5655 0.2277 ( 526 PWs) bands (ev): -9.1849 -9.1849 -3.4700 -3.4700 0.5315 0.5315 4.0006 4.0006 10.4678 10.4678 15.4519 15.4519 16.0094 16.0094 22.5515 22.5515 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5655 0.3733 ( 524 PWs) bands (ev): -8.5492 -8.5492 -4.5666 -4.5666 0.8457 0.8457 4.3553 4.3553 9.5321 9.5321 14.7004 14.7004 16.8396 16.8396 23.0427 23.0427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5655 0.5189 ( 524 PWs) bands (ev): -7.6464 -7.6464 -5.4137 -5.4137 0.1875 0.1875 4.7731 4.7731 8.8413 8.8413 15.3221 15.3221 18.0344 18.0344 21.9897 21.9897 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5655 0.6645 ( 523 PWs) bands (ev): -6.7317 -6.7317 -5.7448 -5.7448 -1.1650 -1.1650 5.0754 5.0754 8.6160 8.6160 17.0370 17.0370 18.6984 18.6984 21.2070 21.2070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5655-0.9369 ( 520 PWs) bands (ev): -6.6302 -6.6302 -4.8878 -4.8878 -2.6250 -2.6250 5.2055 5.2055 8.7238 8.7238 17.9761 17.9761 19.3655 19.3655 21.2785 21.2785 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5655-0.7913 ( 520 PWs) bands (ev): -6.6375 -6.6375 -4.9097 -4.9097 -2.6035 -2.6035 5.2653 5.2653 8.7671 8.7671 17.9896 17.9896 19.6770 19.6770 20.4751 20.4751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5655-0.6457 ( 521 PWs) bands (ev): -6.7607 -6.7607 -5.7618 -5.7618 -1.1411 -1.1411 5.2468 5.2468 8.7095 8.7095 17.1661 17.1661 18.6776 18.6776 20.1919 20.1919 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5655-0.5001 ( 526 PWs) bands (ev): -7.6782 -7.6782 -5.4330 -5.4330 0.2053 0.2053 5.0069 5.0069 8.9469 8.9469 15.4333 15.4333 17.6071 17.6071 21.4354 21.4354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5655-0.3546 ( 525 PWs) bands (ev): -8.5742 -8.5742 -4.5916 -4.5916 0.8600 0.8600 4.5751 4.5751 9.6424 9.6424 14.8047 14.8047 16.4584 16.4584 22.5510 22.5510 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5655-0.2090 ( 525 PWs) bands (ev): -9.2008 -9.2008 -3.4969 -3.4969 0.5482 0.5482 4.1516 4.1516 10.5564 10.5564 15.4862 15.4862 15.8692 15.8692 22.1167 22.1167 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4344-0.1268 ( 519 PWs) bands (ev): -10.4745 -10.4745 -1.3841 -1.3841 1.1963 1.1963 2.8195 2.8195 12.6494 12.6494 14.4372 14.4372 16.0298 16.0298 20.9106 20.9106 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4344 0.0188 ( 523 PWs) bands (ev): -10.6277 -10.6277 -0.6215 -0.6215 0.7075 0.7075 2.5675 2.5675 13.0192 13.0192 14.4003 14.4003 17.4170 17.4170 18.9343 18.9343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4344 0.1643 ( 519 PWs) bands (ev): -10.4523 -10.4523 -1.3431 -1.3431 1.1687 1.1687 2.6239 2.6239 12.6772 12.6772 14.5549 14.5549 15.9212 15.9212 21.0447 21.0447 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4344 0.3099 ( 526 PWs) bands (ev): -9.9528 -9.9528 -2.4613 -2.4613 1.3202 1.3202 2.9936 2.9936 11.6414 11.6414 14.8111 14.8111 15.5421 15.5421 23.4690 23.4690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4344 0.4555 ( 526 PWs) bands (ev): -9.1418 -9.1418 -3.4608 -3.4608 0.5148 0.5148 3.6633 3.6633 10.4501 10.4501 15.4251 15.4251 16.6503 16.6503 23.0759 23.0759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4344 0.6011 ( 523 PWs) bands (ev): -8.0463 -8.0463 -4.2381 -4.2381 -0.9830 -0.9830 4.5901 4.5901 9.3436 9.3436 17.0335 17.0335 17.8650 17.8650 21.5647 21.5647 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4344-1.0003 ( 523 PWs) bands (ev): -6.7345 -6.7345 -4.8017 -4.8017 -2.6233 -2.6233 5.6895 5.6895 8.3462 8.3462 17.7973 17.7973 19.2567 19.2567 21.5683 21.5684 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4344-0.8547 ( 522 PWs) bands (ev): -5.5412 -5.5412 -5.4442 -5.4442 -3.5064 -3.5064 6.7305 6.7305 7.4959 7.4959 17.6335 17.6335 19.9737 19.9737 21.6382 21.6382 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4344-0.7091 ( 515 PWs) bands (ev): -6.8067 -6.8067 -4.8005 -4.8005 -2.5770 -2.5770 6.1733 6.1733 8.1826 8.1826 17.9615 17.9615 19.0059 19.0059 19.9347 19.9347 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4344-0.5635 ( 523 PWs) bands (ev): -8.1163 -8.1163 -4.2606 -4.2606 -0.9379 -0.9379 5.1266 5.1266 9.3417 9.3417 16.9039 16.9039 17.4711 17.4711 20.1887 20.1887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4344-0.4180 ( 525 PWs) bands (ev): -9.2008 -9.2008 -3.4969 -3.4969 0.5482 0.5482 4.1516 4.1516 10.5564 10.5564 15.4862 15.4862 15.8692 15.8692 22.1167 22.1167 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4344-0.2724 ( 520 PWs) bands (ev): -9.9953 -9.9953 -2.5042 -2.5042 1.3464 1.3464 3.3602 3.3602 11.7468 11.7468 14.7100 14.7100 15.2153 15.2153 23.4632 23.4632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4045-0.2536 ( 520 PWs) bands (ev): -9.9687 -9.9687 -2.5392 -2.5392 1.3541 1.3541 3.1504 3.1504 11.9196 11.9196 15.0722 15.0722 15.4684 15.4684 22.8331 23.4681 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4045-0.1081 ( 522 PWs) bands (ev): -10.4369 -10.4369 -1.4129 -1.4129 1.2021 1.2021 2.5143 2.5143 12.8555 12.8555 15.0983 15.0983 16.0596 16.0596 20.7996 20.7996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4045 0.0375 ( 522 PWs) bands (ev): -10.5805 -10.5805 -0.6322 -0.6322 0.7009 0.7009 2.1907 2.1907 13.2562 13.2562 15.0825 15.0825 17.3726 17.3726 18.9098 18.9098 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4045 0.1831 ( 521 PWs) bands (ev): -10.3977 -10.3977 -1.3424 -1.3424 1.1545 1.1545 2.2039 2.2039 12.7746 12.7746 15.3257 15.3257 15.9821 15.9821 21.0427 21.0427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4045 0.3287 ( 523 PWs) bands (ev): -9.8938 -9.8938 -2.4652 -2.4652 1.3089 1.3089 2.5622 2.5622 11.6944 11.6944 14.8172 14.8172 16.5199 16.5199 23.4764 23.4764 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4045 0.4742 ( 523 PWs) bands (ev): -9.0819 -9.0819 -3.4721 -3.4721 0.5026 0.5026 3.2545 3.2545 10.5246 10.5246 15.3826 15.3826 17.6553 17.6553 23.1680 23.1680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4045-1.1271 ( 522 PWs) bands (ev): -7.9895 -7.9895 -4.2569 -4.2569 -0.9972 -0.9972 4.2422 4.2422 9.4508 9.4508 17.0337 17.0337 18.4069 18.4069 22.3567 22.3567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4045-0.9815 ( 522 PWs) bands (ev): -6.6868 -6.6868 -4.8257 -4.8257 -2.6360 -2.6360 5.4499 5.4499 8.4641 8.4641 18.0282 18.0282 19.0028 19.0028 22.4708 22.4708 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4045-0.8359 ( 517 PWs) bands (ev): -5.5417 -5.5417 -5.4434 -5.4434 -3.5065 -3.5065 6.7373 6.7373 7.4875 7.4875 17.7529 17.7529 19.6185 19.6185 22.1046 22.1046 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4045-0.6904 ( 518 PWs) bands (ev): -6.8130 -6.8130 -4.8243 -4.8243 -2.5550 -2.5550 6.2979 6.2979 8.1424 8.1424 18.2359 18.2359 18.6063 18.6063 20.0439 20.0439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4045-0.5448 ( 518 PWs) bands (ev): -8.1124 -8.1124 -4.2955 -4.2955 -0.9186 -0.9186 5.1417 5.1417 9.4341 9.4341 17.0677 17.0677 17.5522 17.5522 20.0152 20.0152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4045-0.3992 ( 520 PWs) bands (ev): -9.1858 -9.1858 -3.5339 -3.5339 0.5603 0.5603 4.0525 4.0525 10.7148 10.7148 15.6781 15.6781 16.0957 16.0957 21.8401 21.8401 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2735-0.3170 ( 522 PWs) bands (ev): -10.4369 -10.4369 -1.4129 -1.4129 1.2021 1.2021 2.5143 2.5143 12.8555 12.8555 15.0983 15.0983 16.0596 16.0596 20.7996 20.7996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2735-0.1715 ( 519 PWs) bands (ev): -11.0675 -11.0675 -0.3341 -0.3341 1.6437 1.6437 2.0955 2.0955 13.6934 13.6934 15.2291 15.2291 15.5029 15.5029 20.6666 20.6666 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2735-0.0259 ( 525 PWs) bands (ev): -11.3727 -11.3727 0.6643 0.6643 1.1180 1.1180 2.0898 2.0898 14.0734 14.0734 15.6223 15.6223 16.2238 16.2238 18.6865 18.6865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2735 0.1197 ( 518 PWs) bands (ev): -11.3491 -11.3491 0.6998 0.6998 0.9607 0.9607 2.0546 2.0546 14.5205 14.5205 15.3856 15.3856 16.1199 16.1199 18.7562 18.7562 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2735 0.2653 ( 521 PWs) bands (ev): -10.9990 -10.9990 -0.2693 -0.2693 1.1525 1.1525 2.0506 2.0506 14.1530 14.1530 15.0981 15.0981 15.8336 15.8336 20.6653 20.6653 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2735 0.4108 ( 524 PWs) bands (ev): -10.3296 -10.3296 -1.3566 -1.3566 1.1448 1.1448 1.7426 1.7426 12.9107 12.9107 15.6424 15.6424 16.8596 16.8596 20.9961 20.9961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2735-1.1905 ( 527 PWs) bands (ev): -9.3552 -9.3552 -2.3583 -2.3583 -0.4095 -0.4095 2.6996 2.6996 11.5318 11.5318 17.2127 17.2127 17.9687 17.9687 20.5437 20.5437 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2735-1.0449 ( 525 PWs) bands (ev): -8.1034 -8.1034 -3.4401 -3.4401 -1.8903 -1.8903 3.9801 3.9801 10.1104 10.1104 18.2490 18.2490 19.2061 19.2061 20.1781 20.1781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2735-0.8993 ( 521 PWs) bands (ev): -6.6679 -6.6679 -4.9178 -4.9178 -2.5777 -2.5777 5.4508 5.4508 8.7033 8.7033 18.0829 18.0829 19.8509 19.8509 19.9579 19.9579 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2735-0.7538 ( 515 PWs) bands (ev): -6.8067 -6.8067 -4.8005 -4.8005 -2.5770 -2.5770 6.1733 6.1733 8.1826 8.1826 17.9615 17.9615 19.0059 19.0059 19.9347 19.9347 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2735-0.6082 ( 519 PWs) bands (ev): -8.2552 -8.2552 -3.3862 -3.3862 -1.8530 -1.8530 5.0211 5.0211 9.6405 9.6405 16.8958 16.8958 19.4158 19.4158 19.9405 19.9405 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2735-0.4626 ( 523 PWs) bands (ev): -9.4915 -9.4915 -2.3843 -2.3843 -0.3394 -0.3394 3.6728 3.6728 11.3613 11.3613 15.7580 15.7580 17.7544 17.7544 20.2228 20.2228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1424-0.3805 ( 522 PWs) bands (ev): -10.5805 -10.5805 -0.6322 -0.6322 0.7009 0.7009 2.1907 2.1907 13.2562 13.2562 15.0825 15.0825 17.3726 17.3726 18.9098 18.9098 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1424-0.2349 ( 525 PWs) bands (ev): -11.3727 -11.3727 0.6643 0.6643 1.1180 1.1180 2.0898 2.0898 14.0734 14.0734 15.6223 15.6223 16.2238 16.2238 18.6865 18.6865 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1424-0.0893 ( 527 PWs) bands (ev): -11.8407 -11.8407 0.3633 0.3633 1.7844 1.7844 2.9802 2.9802 14.1160 14.1160 15.6833 15.6833 16.7997 16.7997 18.1056 18.1056 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1424 0.0563 ( 525 PWs) bands (ev): -11.9796 -11.9796 0.0005 0.0005 2.4141 2.4141 3.0787 3.0787 14.4522 14.4522 15.9626 15.9626 17.1275 17.1275 17.1869 17.1869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1424 0.2018 ( 521 PWs) bands (ev): -11.7899 -11.7899 0.0309 0.0309 1.8294 1.8294 2.9435 2.9435 15.0060 15.0060 15.6942 15.6942 16.5790 16.5790 18.1103 18.1103 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1424 0.3474 ( 525 PWs) bands (ev): -11.2757 -11.2757 0.4506 0.4506 0.7235 0.7235 2.0474 2.0474 15.1484 15.1484 15.9051 15.9051 16.4791 16.4791 18.7308 18.7308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1424-1.2539 ( 528 PWs) bands (ev): -10.4463 -10.4463 -0.6599 -0.6599 0.6809 0.6809 1.2940 1.2940 13.6437 13.6437 17.0606 17.0606 17.6829 17.6829 18.8089 18.8089 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1424-1.1083 ( 526 PWs) bands (ev): -9.3173 -9.3173 -2.4370 -2.4370 -0.3686 -0.3686 2.4846 2.4846 11.8763 11.8763 17.4947 17.4947 18.6851 18.6851 19.8954 19.8954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1424-0.9628 ( 526 PWs) bands (ev): -7.9261 -7.9261 -4.3828 -4.3828 -0.9487 -0.9487 3.9474 3.9474 10.0657 10.0657 17.3015 17.3015 19.1775 19.1775 20.5268 20.5268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1424-0.8172 ( 521 PWs) bands (ev): -6.7607 -6.7607 -5.7618 -5.7618 -1.1411 -1.1411 5.2468 5.2468 8.7095 8.7095 17.1661 17.1661 18.6776 18.6776 20.1919 20.1919 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1424-0.6716 ( 524 PWs) bands (ev): -8.0924 -8.0924 -4.2394 -4.2394 -0.9615 -0.9615 4.9162 4.9162 9.3124 9.3124 16.9737 16.9737 17.5082 17.5082 20.7429 20.7429 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1424-0.5260 ( 522 PWs) bands (ev): -9.4764 -9.4764 -2.3309 -2.3309 -0.3821 -0.3821 3.5366 3.5366 11.2555 11.2555 15.8753 15.8753 17.5203 17.5203 20.6659 20.6659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.0114-0.4439 ( 521 PWs) bands (ev): -10.3977 -10.3977 -1.3424 -1.3424 1.1545 1.1545 2.2039 2.2039 12.7746 12.7746 15.3257 15.3257 15.9821 15.9821 21.0427 21.0427 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.0114-0.2983 ( 518 PWs) bands (ev): -11.3491 -11.3491 0.6998 0.6998 0.9607 0.9607 2.0546 2.0546 14.5205 14.5205 15.3856 15.3856 16.1199 16.1199 18.7562 18.7562 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.0114-0.1527 ( 525 PWs) bands (ev): -11.9796 -11.9796 0.0005 0.0005 2.4141 2.4141 3.0787 3.0787 14.4522 14.4522 15.9626 15.9626 17.1275 17.1275 17.1869 17.1869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.0114-0.0071 ( 526 PWs) bands (ev): -12.2827 -12.2827 -0.5567 -0.5567 3.4396 3.4396 3.7724 3.7724 14.6326 14.6326 15.6514 15.6514 16.2454 16.2454 18.2037 18.2037 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.0114 0.1384 ( 524 PWs) bands (ev): -12.2568 -12.2568 -0.7128 -0.7128 3.4598 3.4598 3.7516 3.7516 15.1258 15.1258 15.6568 15.6568 16.2508 16.2508 18.1785 18.1785 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.0114 0.2840 ( 525 PWs) bands (ev): -11.9046 -11.9046 -0.4572 -0.4572 2.4051 2.4051 3.0722 3.0722 15.7148 15.7148 16.1659 16.1659 17.1381 17.1381 17.2782 17.2782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.0114-1.3173 ( 525 PWs) bands (ev): -11.2319 -11.2319 0.2043 0.2043 0.6634 0.6634 2.0720 2.0720 15.3634 15.3634 16.0762 16.0762 17.4344 17.4344 18.6396 18.6396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.0114-1.1717 ( 525 PWs) bands (ev): -10.2491 -10.2491 -1.4502 -1.4502 1.1743 1.1743 1.2720 1.2720 13.4290 13.4290 15.8503 15.8503 18.6615 18.6615 20.5933 20.5933 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.0114-1.0262 ( 529 PWs) bands (ev): -8.9761 -8.9761 -3.6001 -3.6001 0.5302 0.5302 2.6623 2.6623 11.3056 11.3056 15.5562 15.5562 19.7665 19.7665 21.4203 21.4203 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.0114-0.8806 ( 526 PWs) bands (ev): -7.4941 -7.4941 -5.5568 -5.5568 0.1929 0.1929 4.1687 4.1687 9.4039 9.4039 15.3601 15.3601 19.5805 19.5805 21.2396 21.2396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.0114-0.7350 ( 524 PWs) bands (ev): -7.6464 -7.6464 -5.4137 -5.4137 0.1875 0.1875 4.7731 4.7731 8.8413 8.8413 15.3221 15.3221 18.0344 18.0344 21.9897 21.9897 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.0114-0.5894 ( 526 PWs) bands (ev): -9.1418 -9.1418 -3.4608 -3.4608 0.5148 0.5148 3.6633 3.6633 10.4501 10.4501 15.4251 15.4251 16.6503 16.6503 23.0759 23.0759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1196-0.5073 ( 523 PWs) bands (ev): -9.8938 -9.8938 -2.4652 -2.4652 1.3089 1.3089 2.5622 2.5622 11.6944 11.6944 14.8172 14.8172 16.5199 16.5199 23.4764 23.4764 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1196-0.3617 ( 521 PWs) bands (ev): -10.9990 -10.9990 -0.2693 -0.2693 1.1525 1.1525 2.0506 2.0506 14.1530 14.1530 15.0981 15.0981 15.8336 15.8336 20.6653 20.6653 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1196-0.2161 ( 521 PWs) bands (ev): -11.7899 -11.7899 0.0309 0.0309 1.8294 1.8294 2.9435 2.9435 15.0060 15.0060 15.6942 15.6942 16.5790 16.5790 18.1103 18.1103 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1196-0.0706 ( 524 PWs) bands (ev): -12.2568 -12.2568 -0.7128 -0.7128 3.4598 3.4598 3.7516 3.7516 15.1258 15.1258 15.6568 15.6568 16.2508 16.2508 18.1785 18.1785 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1196 0.0750 ( 532 PWs) bands (ev): -12.3967 -12.3967 -1.0551 -1.0551 4.0977 4.0977 4.1068 4.1068 15.5342 15.5342 15.5407 15.5407 15.5457 15.5457 18.7553 18.7553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1196 0.2206 ( 524 PWs) bands (ev): -12.2100 -12.2100 -0.9805 -0.9805 3.4360 3.4360 3.7652 3.7652 15.5934 15.5934 16.2253 16.2253 16.2382 16.2382 18.2530 18.2530 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1196-1.3807 ( 528 PWs) bands (ev): -11.7006 -11.7006 -0.4865 -0.4865 1.7733 1.7733 2.9632 2.9632 15.5597 15.5597 16.4793 16.4793 17.5741 17.5741 18.0936 18.0936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1196-1.2352 ( 526 PWs) bands (ev): -10.8759 -10.8759 -0.3563 -0.3563 0.4211 0.4211 2.0701 2.0701 14.6817 14.6817 15.2905 15.2905 18.5645 18.5645 20.6574 20.6574 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1196-1.0896 ( 527 PWs) bands (ev): -9.7484 -9.7484 -2.5815 -2.5815 1.3238 1.3238 1.6949 1.6949 12.4528 12.4528 14.9424 14.9424 19.7269 19.7269 22.4152 22.4152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1196-0.9440 ( 528 PWs) bands (ev): -8.3494 -8.3494 -4.6991 -4.6991 0.8407 0.8407 3.2250 3.2250 10.2506 10.2506 14.6744 14.6744 20.3527 20.3527 21.7079 21.7079 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1196-0.7984 ( 524 PWs) bands (ev): -7.1535 -7.1535 -6.1483 -6.1483 0.6721 0.6721 4.4751 4.4751 8.7652 8.7652 14.5571 14.5571 19.1275 19.1275 22.3159 22.3159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1196-0.6529 ( 524 PWs) bands (ev): -8.5012 -8.5012 -4.5632 -4.5632 0.8328 0.8328 4.0231 4.0231 9.4863 9.4863 14.6119 14.6119 17.6634 17.6634 23.4154 23.4154 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.2507-0.5707 ( 523 PWs) bands (ev): -9.0819 -9.0819 -3.4721 -3.4721 0.5026 0.5026 3.2545 3.2545 10.5246 10.5246 15.3826 15.3826 17.6553 17.6553 23.1680 23.1680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.2507-0.4251 ( 524 PWs) bands (ev): -10.3296 -10.3296 -1.3566 -1.3566 1.1448 1.1448 1.7426 1.7426 12.9107 12.9107 15.6424 15.6424 16.8596 16.8596 20.9961 20.9961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.2507-0.2795 ( 525 PWs) bands (ev): -11.2757 -11.2757 0.4506 0.4506 0.7235 0.7235 2.0474 2.0474 15.1484 15.1484 15.9051 15.9051 16.4791 16.4791 18.7308 18.7308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.2507-0.1340 ( 525 PWs) bands (ev): -11.9046 -11.9046 -0.4572 -0.4572 2.4051 2.4051 3.0722 3.0722 15.7148 15.7148 16.1659 16.1659 17.1381 17.1381 17.2782 17.2782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.2507 0.0116 ( 524 PWs) bands (ev): -12.2100 -12.2100 -0.9805 -0.9805 3.4360 3.4360 3.7652 3.7652 15.5934 15.5934 16.2253 16.2253 16.2382 16.2382 18.2530 18.2530 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.2507 0.1572 ( 523 PWs) bands (ev): -12.1904 -12.1904 -1.0870 -1.0870 3.4506 3.4506 3.7501 3.7501 15.5759 15.5759 16.2418 16.2418 16.7203 16.7203 18.2133 18.2133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.2507-1.4441 ( 526 PWs) bands (ev): -11.8480 -11.8480 -0.7701 -0.7701 2.3989 2.3989 3.0673 3.0673 15.8701 15.8701 17.0227 17.0227 17.1382 17.1382 17.6719 17.6719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.2507-1.2986 ( 527 PWs) bands (ev): -11.1876 -11.1876 -0.0370 -0.0370 0.6645 0.6645 2.0600 2.0600 15.4740 15.4740 16.0352 16.0352 18.4537 18.4537 18.6446 18.6446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.2507-1.1530 ( 528 PWs) bands (ev): -10.2184 -10.2184 -1.4354 -1.4354 1.0958 1.0958 1.1625 1.1625 13.4000 13.4000 15.7781 15.7781 19.3316 19.3316 20.6643 20.6643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.2507-1.0074 ( 532 PWs) bands (ev): -8.9586 -8.9586 -3.5745 -3.5745 0.5136 0.5136 2.5548 2.5548 11.1602 11.1602 15.4648 15.4648 19.9312 19.9312 21.9543 21.9543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.2507-0.8618 ( 525 PWs) bands (ev): -7.4852 -7.4852 -5.5227 -5.5227 0.1767 0.1767 4.0826 4.0826 9.1919 9.1919 15.2645 15.2645 19.7594 19.7594 21.9992 21.9992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.2507-0.7163 ( 528 PWs) bands (ev): -7.5982 -7.5982 -5.4173 -5.4173 0.1728 0.1728 4.5179 4.5179 8.7706 8.7706 15.2366 15.2366 18.7360 18.7360 22.5064 22.5064 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1907 0.1268 ( 522 PWs) bands (ev): -7.9895 -7.9895 -4.2569 -4.2569 -0.9972 -0.9972 4.2422 4.2422 9.4508 9.4508 17.0337 17.0337 18.4069 18.4069 22.3567 22.3567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1907 0.2724 ( 527 PWs) bands (ev): -9.3552 -9.3552 -2.3583 -2.3583 -0.4095 -0.4095 2.6996 2.6996 11.5318 11.5318 17.2127 17.2127 17.9687 17.9687 20.5437 20.5437 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1907 0.4180 ( 528 PWs) bands (ev): -10.4463 -10.4463 -0.6599 -0.6599 0.6809 0.6809 1.2940 1.2940 13.6437 13.6437 17.0606 17.0606 17.6829 17.6829 18.8089 18.8089 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1907 0.5635 ( 525 PWs) bands (ev): -11.2319 -11.2319 0.2043 0.2043 0.6634 0.6634 2.0720 2.0720 15.3634 15.3634 16.0762 16.0762 17.4344 17.4344 18.6396 18.6396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1907 0.7091 ( 528 PWs) bands (ev): -11.7006 -11.7006 -0.4865 -0.4865 1.7733 1.7733 2.9632 2.9632 15.5597 15.5597 16.4793 16.4793 17.5741 17.5741 18.0936 18.0936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1907 0.8547 ( 526 PWs) bands (ev): -11.8480 -11.8480 -0.7701 -0.7701 2.3989 2.3989 3.0673 3.0673 15.8701 15.8701 17.0227 17.0227 17.1382 17.1382 17.6719 17.6719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1907-0.7466 ( 519 PWs) bands (ev): -11.6736 -11.6736 -0.6314 -0.6314 1.7957 1.7957 2.9451 2.9451 15.4995 15.4995 16.6641 16.6641 18.0121 18.0121 18.0962 18.0962 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1907-0.6011 ( 524 PWs) bands (ev): -11.1807 -11.1807 -0.0736 -0.0736 0.6766 0.6766 2.0506 2.0506 15.4577 15.4577 15.9954 15.9954 18.6060 18.6060 18.6618 18.6618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1907-0.4555 ( 524 PWs) bands (ev): -10.3760 -10.3760 -0.6729 -0.6729 0.6699 0.6699 0.8967 0.8967 13.8061 13.8061 17.1747 17.1747 18.7071 18.7071 19.1283 19.1283 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1907-0.3099 ( 530 PWs) bands (ev): -9.2727 -9.2727 -2.4112 -2.4112 -0.4035 -0.4035 2.2252 2.2252 11.8550 11.8550 17.3493 17.3493 19.1816 19.1816 20.2803 20.2803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1907-0.1643 ( 525 PWs) bands (ev): -7.9042 -7.9042 -4.3292 -4.3292 -0.9910 -0.9910 3.7916 3.7916 9.8388 9.8388 17.0919 17.0919 19.0930 19.0930 21.8564 21.8564 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1907-0.0188 ( 526 PWs) bands (ev): -6.7082 -6.7082 -5.7352 -5.7352 -1.1825 -1.1825 4.9758 4.9758 8.5026 8.5026 16.9653 16.9653 18.8198 18.8198 22.2654 22.2654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0597 0.0634 ( 522 PWs) bands (ev): -6.6868 -6.6868 -4.8257 -4.8257 -2.6360 -2.6360 5.4499 5.4499 8.4641 8.4641 18.0282 18.0282 19.0028 19.0028 22.4708 22.4708 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0597 0.2090 ( 525 PWs) bands (ev): -8.1034 -8.1034 -3.4401 -3.4401 -1.8903 -1.8903 3.9801 3.9801 10.1104 10.1104 18.2490 18.2490 19.2061 19.2061 20.1781 20.1781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0597 0.3546 ( 526 PWs) bands (ev): -9.3173 -9.3173 -2.4370 -2.4370 -0.3686 -0.3686 2.4846 2.4846 11.8763 11.8763 17.4947 17.4947 18.6851 18.6851 19.8954 19.8954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0597 0.5001 ( 525 PWs) bands (ev): -10.2491 -10.2491 -1.4502 -1.4502 1.1743 1.1743 1.2720 1.2720 13.4290 13.4290 15.8503 15.8503 18.6615 18.6615 20.5933 20.5933 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0597 0.6457 ( 526 PWs) bands (ev): -10.8759 -10.8759 -0.3563 -0.3563 0.4211 0.4211 2.0701 2.0701 14.6817 14.6817 15.2905 15.2905 18.5645 18.5645 20.6574 20.6574 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0597 0.7913 ( 527 PWs) bands (ev): -11.1876 -11.1876 -0.0370 -0.0370 0.6645 0.6645 2.0600 2.0600 15.4740 15.4740 16.0352 16.0352 18.4537 18.4537 18.6446 18.6446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0597-0.8100 ( 524 PWs) bands (ev): -11.1807 -11.1807 -0.0736 -0.0736 0.6766 0.6766 2.0506 2.0506 15.4577 15.4577 15.9954 15.9954 18.6060 18.6060 18.6618 18.6618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0597-0.6645 ( 524 PWs) bands (ev): -10.8561 -10.8561 -0.3394 -0.3394 0.3131 0.3131 2.0582 2.0582 14.6398 14.6398 15.2287 15.2287 19.0217 19.0217 20.6569 20.6569 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0597-0.5189 ( 528 PWs) bands (ev): -10.2184 -10.2184 -1.4354 -1.4354 1.0958 1.0958 1.1625 1.1625 13.4000 13.4000 15.7781 15.7781 19.3316 19.3316 20.6643 20.6643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0597-0.3733 ( 522 PWs) bands (ev): -9.2787 -9.2787 -2.4301 -2.4301 -0.3877 -0.3877 2.2620 2.2620 11.9193 11.9193 17.4295 17.4295 19.1942 19.1942 20.0343 20.0343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0597-0.2277 ( 524 PWs) bands (ev): -8.0611 -8.0611 -3.4535 -3.4535 -1.9020 -1.9020 3.7344 3.7344 10.2459 10.2459 18.4922 18.4922 19.2104 19.2104 20.1257 20.1257 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0597-0.0822 ( 524 PWs) bands (ev): -6.6485 -6.6485 -4.8573 -4.8573 -2.6368 -2.6368 5.2747 5.2747 8.6040 8.6040 18.0808 18.0808 19.0484 19.0484 21.9923 21.9923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.9287 0.0000 ( 517 PWs) bands (ev): -5.5417 -5.5417 -5.4434 -5.4434 -3.5065 -3.5065 6.7373 6.7373 7.4875 7.4875 17.7529 17.7529 19.6185 19.6185 22.1046 22.1046 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.9287 0.1456 ( 521 PWs) bands (ev): -6.6679 -6.6679 -4.9178 -4.9178 -2.5777 -2.5777 5.4508 5.4508 8.7033 8.7033 18.0829 18.0829 19.8509 19.8509 19.9579 19.9579 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.9287 0.2911 ( 526 PWs) bands (ev): -7.9261 -7.9261 -4.3828 -4.3828 -0.9487 -0.9487 3.9474 3.9474 10.0657 10.0657 17.3015 17.3015 19.1775 19.1775 20.5268 20.5268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.9287 0.4367 ( 529 PWs) bands (ev): -8.9761 -8.9761 -3.6001 -3.6001 0.5302 0.5302 2.6623 2.6623 11.3056 11.3056 15.5562 15.5562 19.7665 19.7665 21.4203 21.4203 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.9287 0.5823 ( 527 PWs) bands (ev): -9.7484 -9.7484 -2.5815 -2.5815 1.3238 1.3238 1.6949 1.6949 12.4528 12.4528 14.9424 14.9424 19.7269 19.7269 22.4152 22.4152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.9287 0.7279 ( 528 PWs) bands (ev): -10.2184 -10.2184 -1.4354 -1.4354 1.0958 1.0958 1.1625 1.1625 13.4000 13.4000 15.7781 15.7781 19.3316 19.3316 20.6643 20.6643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.9287-0.8734 ( 524 PWs) bands (ev): -10.3760 -10.3760 -0.6729 -0.6729 0.6699 0.6699 0.8967 0.8967 13.8061 13.8061 17.1747 17.1747 18.7071 18.7071 19.1283 19.1283 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.9287-0.7279 ( 528 PWs) bands (ev): -10.2184 -10.2184 -1.4354 -1.4354 1.0958 1.0958 1.1625 1.1625 13.4000 13.4000 15.7781 15.7781 19.3316 19.3316 20.6643 20.6643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.9287-0.5823 ( 527 PWs) bands (ev): -9.7484 -9.7484 -2.5815 -2.5815 1.3238 1.3238 1.6949 1.6949 12.4528 12.4528 14.9424 14.9424 19.7269 19.7269 22.4152 22.4152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.9287-0.4367 ( 529 PWs) bands (ev): -8.9761 -8.9761 -3.6001 -3.6001 0.5302 0.5302 2.6623 2.6623 11.3056 11.3056 15.5562 15.5562 19.7665 19.7665 21.4203 21.4203 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.9287-0.2911 ( 526 PWs) bands (ev): -7.9261 -7.9261 -4.3828 -4.3828 -0.9487 -0.9487 3.9474 3.9474 10.0657 10.0657 17.3015 17.3015 19.1775 19.1775 20.5268 20.5268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.9287-0.1456 ( 521 PWs) bands (ev): -6.6679 -6.6679 -4.9178 -4.9178 -2.5777 -2.5777 5.4508 5.4508 8.7033 8.7033 18.0829 18.0829 19.8509 19.8509 19.9579 19.9579 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7976-0.0634 ( 518 PWs) bands (ev): -6.8130 -6.8130 -4.8243 -4.8243 -2.5550 -2.5550 6.2979 6.2979 8.1424 8.1424 18.2359 18.2359 18.6063 18.6063 20.0439 20.0439 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7976 0.0822 ( 515 PWs) bands (ev): -6.8067 -6.8067 -4.8005 -4.8005 -2.5770 -2.5770 6.1733 6.1733 8.1826 8.1826 17.9615 17.9615 19.0059 19.0059 19.9347 19.9347 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7976 0.2277 ( 521 PWs) bands (ev): -6.7607 -6.7607 -5.7618 -5.7618 -1.1411 -1.1411 5.2468 5.2468 8.7095 8.7095 17.1661 17.1661 18.6776 18.6776 20.1919 20.1919 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7976 0.3733 ( 526 PWs) bands (ev): -7.4941 -7.4941 -5.5568 -5.5568 0.1929 0.1929 4.1687 4.1687 9.4039 9.4039 15.3601 15.3601 19.5805 19.5805 21.2396 21.2396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7976 0.5189 ( 528 PWs) bands (ev): -8.3494 -8.3494 -4.6991 -4.6991 0.8407 0.8407 3.2250 3.2250 10.2506 10.2506 14.6744 14.6744 20.3527 20.3527 21.7079 21.7079 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7976 0.6645 ( 532 PWs) bands (ev): -8.9586 -8.9586 -3.5745 -3.5745 0.5136 0.5136 2.5548 2.5548 11.1602 11.1602 15.4648 15.4648 19.9312 19.9312 21.9543 21.9543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7976-0.9369 ( 530 PWs) bands (ev): -9.2727 -9.2727 -2.4112 -2.4112 -0.4035 -0.4035 2.2252 2.2252 11.8550 11.8550 17.3493 17.3493 19.1816 19.1816 20.2803 20.2803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7976-0.7913 ( 522 PWs) bands (ev): -9.2787 -9.2787 -2.4301 -2.4301 -0.3877 -0.3877 2.2620 2.2620 11.9193 11.9193 17.4295 17.4295 19.1942 19.1942 20.0343 20.0343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7976-0.6457 ( 529 PWs) bands (ev): -8.9761 -8.9761 -3.6001 -3.6001 0.5302 0.5302 2.6623 2.6623 11.3056 11.3056 15.5562 15.5562 19.7665 19.7665 21.4203 21.4203 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7976-0.5001 ( 529 PWs) bands (ev): -8.3766 -8.3766 -4.7227 -4.7227 0.8549 0.8549 3.3944 3.3944 10.4010 10.4010 14.7719 14.7719 20.1876 20.1876 20.9045 20.9045 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7976-0.3546 ( 523 PWs) bands (ev): -7.5281 -7.5281 -5.5748 -5.5748 0.2109 0.2109 4.3818 4.3818 9.5003 9.5003 15.4682 15.4682 19.5520 19.5520 20.4158 20.4158 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7976-0.2090 ( 523 PWs) bands (ev): -6.7866 -6.7866 -5.7832 -5.7832 -1.1169 -1.1169 5.4658 5.4658 8.7174 8.7174 17.3230 17.3230 18.8727 18.8727 19.4270 19.4270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.6666-0.1268 ( 518 PWs) bands (ev): -8.1124 -8.1124 -4.2955 -4.2955 -0.9186 -0.9186 5.1417 5.1417 9.4341 9.4341 17.0677 17.0677 17.5522 17.5522 20.0152 20.0152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.6666 0.0188 ( 519 PWs) bands (ev): -8.2552 -8.2552 -3.3862 -3.3862 -1.8530 -1.8530 5.0211 5.0211 9.6405 9.6405 16.8958 16.8958 19.4158 19.4158 19.9405 19.9405 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.6666 0.1643 ( 524 PWs) bands (ev): -8.0924 -8.0924 -4.2394 -4.2394 -0.9615 -0.9615 4.9162 4.9162 9.3124 9.3124 16.9737 16.9737 17.5082 17.5082 20.7429 20.7429 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.6666 0.3099 ( 524 PWs) bands (ev): -7.6464 -7.6464 -5.4137 -5.4137 0.1875 0.1875 4.7731 4.7731 8.8413 8.8413 15.3221 15.3221 18.0344 18.0344 21.9897 21.9897 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.6666 0.4555 ( 524 PWs) bands (ev): -7.1535 -7.1535 -6.1483 -6.1483 0.6721 0.6721 4.4751 4.4751 8.7652 8.7652 14.5571 14.5571 19.1275 19.1275 22.3159 22.3159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.6666 0.6011 ( 525 PWs) bands (ev): -7.4852 -7.4852 -5.5227 -5.5227 0.1767 0.1767 4.0826 4.0826 9.1919 9.1919 15.2645 15.2645 19.7594 19.7594 21.9992 21.9992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.6666-1.0003 ( 525 PWs) bands (ev): -7.9042 -7.9042 -4.3292 -4.3292 -0.9910 -0.9910 3.7916 3.7916 9.8388 9.8388 17.0919 17.0919 19.0930 19.0930 21.8564 21.8564 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.6666-0.8547 ( 524 PWs) bands (ev): -8.0611 -8.0611 -3.4535 -3.4535 -1.9020 -1.9020 3.7344 3.7344 10.2459 10.2459 18.4922 18.4922 19.2104 19.2104 20.1257 20.1257 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.6666-0.7091 ( 526 PWs) bands (ev): -7.9261 -7.9261 -4.3828 -4.3828 -0.9487 -0.9487 3.9474 3.9474 10.0657 10.0657 17.3015 17.3015 19.1775 19.1775 20.5268 20.5268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.6666-0.5635 ( 523 PWs) bands (ev): -7.5281 -7.5281 -5.5748 -5.5748 0.2109 0.2109 4.3818 4.3818 9.5003 9.5003 15.4682 15.4682 19.5520 19.5520 20.4158 20.4158 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.6666-0.4180 ( 523 PWs) bands (ev): -7.2107 -7.2107 -6.1919 -6.1919 0.7001 0.7001 4.8744 4.8744 9.0327 9.0327 14.7597 14.7597 18.4891 18.4891 21.1153 21.1153 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.6666-0.2724 ( 524 PWs) bands (ev): -7.6858 -7.6858 -5.4695 -5.4695 0.2216 0.2216 5.1564 5.1564 9.0366 9.0366 15.5383 15.5383 17.6182 17.6182 20.9620 20.9620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5355-0.1902 ( 520 PWs) bands (ev): -9.1858 -9.1858 -3.5339 -3.5339 0.5603 0.5603 4.0525 4.0525 10.7148 10.7148 15.6781 15.6781 16.0957 16.0957 21.8401 21.8401 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5355-0.0447 ( 523 PWs) bands (ev): -9.4915 -9.4915 -2.3843 -2.3843 -0.3394 -0.3394 3.6728 3.6728 11.3613 11.3613 15.7580 15.7580 17.7544 17.7544 20.2228 20.2228 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5355 0.1009 ( 522 PWs) bands (ev): -9.4764 -9.4764 -2.3309 -2.3309 -0.3821 -0.3821 3.5366 3.5366 11.2555 11.2555 15.8753 15.8753 17.5203 17.5203 20.6659 20.6659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5355 0.2465 ( 526 PWs) bands (ev): -9.1418 -9.1418 -3.4608 -3.4608 0.5148 0.5148 3.6633 3.6633 10.4501 10.4501 15.4251 15.4251 16.6503 16.6503 23.0759 23.0759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5355 0.3921 ( 524 PWs) bands (ev): -8.5012 -8.5012 -4.5632 -4.5632 0.8328 0.8328 4.0231 4.0231 9.4863 9.4863 14.6119 14.6119 17.6634 17.6634 23.4154 23.4154 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5355 0.5376 ( 528 PWs) bands (ev): -7.5982 -7.5982 -5.4173 -5.4173 0.1728 0.1728 4.5179 4.5179 8.7706 8.7706 15.2366 15.2366 18.7360 18.7360 22.5064 22.5064 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5355-1.0637 ( 526 PWs) bands (ev): -6.7082 -6.7082 -5.7352 -5.7352 -1.1825 -1.1825 4.9758 4.9758 8.5026 8.5026 16.9653 16.9653 18.8198 18.8198 22.2654 22.2654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5355-0.9181 ( 524 PWs) bands (ev): -6.6485 -6.6485 -4.8573 -4.8573 -2.6368 -2.6368 5.2747 5.2747 8.6040 8.6040 18.0808 18.0808 19.0484 19.0484 21.9923 21.9923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5355-0.7725 ( 521 PWs) bands (ev): -6.6679 -6.6679 -4.9178 -4.9178 -2.5777 -2.5777 5.4508 5.4508 8.7033 8.7033 18.0829 18.0829 19.8509 19.8509 19.9579 19.9579 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5355-0.6270 ( 523 PWs) bands (ev): -6.7866 -6.7866 -5.7832 -5.7832 -1.1169 -1.1169 5.4658 5.4658 8.7174 8.7174 17.3230 17.3230 18.8727 18.8727 19.4270 19.4270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5355-0.4814 ( 524 PWs) bands (ev): -7.6858 -7.6858 -5.4695 -5.4695 0.2216 0.2216 5.1564 5.1564 9.0366 9.0366 15.5383 15.5383 17.6182 17.6182 20.9620 20.9620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5355-0.3358 ( 529 PWs) bands (ev): -8.5704 -8.5704 -4.6309 -4.6309 0.8717 0.8717 4.6016 4.6016 9.7912 9.7912 14.8936 14.8936 16.6290 16.6290 22.0395 22.0395 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5056-0.3170 ( 520 PWs) bands (ev): -8.5386 -8.5386 -4.6734 -4.6734 0.8778 0.8778 4.4128 4.4128 9.9912 9.9912 14.9360 14.9360 17.3010 17.3010 21.5277 21.5277 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5056-0.1715 ( 518 PWs) bands (ev): -9.1433 -9.1433 -3.5709 -3.5709 0.5645 0.5645 3.7402 3.7402 10.9367 10.9367 15.7452 15.7452 16.8439 16.8439 21.6545 21.6545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5056-0.0259 ( 526 PWs) bands (ev): -9.4405 -9.4405 -2.4109 -2.4109 -0.3405 -0.3405 3.2862 3.2862 11.5482 11.5482 16.5566 16.5566 17.7687 17.7687 20.0930 20.0930 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5056 0.1197 ( 525 PWs) bands (ev): -9.4194 -9.4194 -2.3385 -2.3385 -0.3988 -0.3988 3.1181 3.1181 11.3701 11.3701 16.7028 16.7028 17.5013 17.5013 20.6412 20.6412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5056 0.2653 ( 523 PWs) bands (ev): -9.0819 -9.0819 -3.4721 -3.4721 0.5026 0.5026 3.2545 3.2545 10.5246 10.5246 15.3826 15.3826 17.6553 17.6553 23.1680 23.1680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5056 0.4108 ( 526 PWs) bands (ev): -8.4422 -8.4422 -4.5825 -4.5825 0.8246 0.8246 3.6718 3.6718 9.5506 9.5506 14.5592 14.5592 18.7092 18.7092 23.4614 23.4614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5056-1.1905 ( 530 PWs) bands (ev): -7.5461 -7.5461 -5.4423 -5.4423 0.1651 0.1651 4.2888 4.2888 8.8042 8.8042 15.1954 15.1954 19.4253 19.4253 22.7659 22.7659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5056-1.0449 ( 524 PWs) bands (ev): -6.6991 -6.6991 -5.7324 -5.7324 -1.1886 -1.1886 4.9441 4.9441 8.4529 8.4529 16.9438 16.9438 18.8847 18.8847 22.8722 22.8722 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5056-0.8993 ( 522 PWs) bands (ev): -6.6868 -6.6868 -4.8257 -4.8257 -2.6360 -2.6360 5.4499 5.4499 8.4641 8.4641 18.0282 18.0282 19.0028 19.0028 22.4708 22.4708 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5056-0.7538 ( 519 PWs) bands (ev): -6.7125 -6.7125 -4.9099 -4.9099 -2.5549 -2.5549 5.7270 5.7270 8.5478 8.5478 17.9689 17.9689 19.8830 19.8830 20.1320 20.1320 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5056-0.6082 ( 520 PWs) bands (ev): -6.8035 -6.8035 -5.8014 -5.8014 -1.0989 -1.0989 5.6666 5.6666 8.6564 8.6564 17.4480 17.4480 18.7382 18.7382 19.5705 19.5705 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5056-0.4626 ( 519 PWs) bands (ev): -7.6676 -7.6676 -5.5125 -5.5125 0.2320 0.2320 5.1508 5.1508 9.1371 9.1371 15.6031 15.6031 18.0589 18.0589 20.5827 20.5827 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3746-0.3805 ( 518 PWs) bands (ev): -9.1433 -9.1433 -3.5709 -3.5709 0.5645 0.5645 3.7402 3.7402 10.9367 10.9367 15.7452 15.7452 16.8439 16.8439 21.6545 21.6545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3746-0.2349 ( 516 PWs) bands (ev): -9.9161 -9.9161 -2.5710 -2.5710 1.3551 1.3551 2.7544 2.7544 12.1625 12.1625 15.1355 15.1355 16.3953 16.3953 22.5370 22.5370 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3746-0.0893 ( 519 PWs) bands (ev): -10.3761 -10.3761 -1.4373 -1.4373 1.2000 1.2000 2.0670 2.0670 13.1201 13.1201 15.8718 15.8718 16.3074 16.3074 20.6928 20.6928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3746 0.0563 ( 527 PWs) bands (ev): -10.5143 -10.5143 -0.6464 -0.6464 0.6912 0.6912 1.7222 1.7222 13.4703 13.4703 16.1556 16.1556 17.3503 17.3503 18.8653 18.8653 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3746 0.2018 ( 524 PWs) bands (ev): -10.3296 -10.3296 -1.3566 -1.3566 1.1448 1.1448 1.7426 1.7426 12.9107 12.9107 15.6424 15.6424 16.8596 16.8596 20.9961 20.9961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3746 0.3474 ( 525 PWs) bands (ev): -9.8273 -9.8273 -2.4865 -2.4865 1.3029 1.3029 2.1339 2.1339 11.8384 11.8384 14.8007 14.8007 17.7788 17.7788 23.4833 23.4833 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3746-1.2539 ( 526 PWs) bands (ev): -9.0206 -9.0206 -3.5006 -3.5006 0.4977 0.4977 2.8841 2.8841 10.6954 10.6954 15.3685 15.3685 18.7317 18.7317 22.8946 22.8946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3746-1.1083 ( 526 PWs) bands (ev): -7.9373 -7.9373 -4.2905 -4.2905 -1.0002 -1.0002 3.9551 3.9551 9.6298 9.6298 17.0447 17.0447 18.8548 18.8548 22.3208 22.3208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3746-0.9628 ( 524 PWs) bands (ev): -6.6485 -6.6485 -4.8573 -4.8573 -2.6368 -2.6368 5.2747 5.2747 8.6040 8.6040 18.0808 18.0808 19.0484 19.0484 21.9923 21.9923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3746-0.8172 ( 522 PWs) bands (ev): -5.5412 -5.5412 -5.4442 -5.4442 -3.5064 -3.5064 6.7305 6.7305 7.4959 7.4959 17.6335 17.6335 19.9737 19.9737 21.6382 21.6382 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3746-0.6716 ( 515 PWs) bands (ev): -6.7957 -6.7957 -4.8563 -4.8563 -2.5418 -2.5418 6.2468 6.2468 8.1963 8.1963 17.8346 17.8346 19.5018 19.5018 20.1494 20.1494 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3746-0.5260 ( 519 PWs) bands (ev): -8.0816 -8.0816 -4.3343 -4.3343 -0.9090 -0.9090 4.9450 4.9450 9.6007 9.6007 17.4084 17.4084 17.6834 17.6834 20.2817 20.2817 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2436-0.4439 ( 526 PWs) bands (ev): -9.4405 -9.4405 -2.4109 -2.4109 -0.3405 -0.3405 3.2862 3.2862 11.5482 11.5482 16.5566 16.5566 17.7687 17.7687 20.0930 20.0930 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2436-0.2983 ( 519 PWs) bands (ev): -10.3761 -10.3761 -1.4373 -1.4373 1.2000 1.2000 2.0670 2.0670 13.1201 13.1201 15.8718 15.8718 16.3074 16.3074 20.6928 20.6928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2436-0.1527 ( 524 PWs) bands (ev): -10.9993 -10.9993 -0.3533 -0.3533 1.1628 1.1628 2.0916 2.0916 14.2592 14.2592 15.4193 15.4193 16.1658 16.1658 20.6632 20.6632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2436-0.0071 ( 527 PWs) bands (ev): -11.3001 -11.3001 0.5752 0.5752 0.7056 0.7056 2.0827 2.0827 14.9718 14.9718 16.0660 16.0660 16.3448 16.3448 18.6566 18.6566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2436 0.1384 ( 525 PWs) bands (ev): -11.2757 -11.2757 0.4506 0.4506 0.7235 0.7235 2.0474 2.0474 15.1484 15.1484 15.9051 15.9051 16.4791 16.4791 18.7308 18.7308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2436 0.2840 ( 520 PWs) bands (ev): -10.9285 -10.9285 -0.2889 -0.2889 0.7155 0.7155 2.0469 2.0469 14.3327 14.3327 15.1573 15.1573 17.1454 17.1454 20.6620 20.6620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2436-1.3173 ( 526 PWs) bands (ev): -10.2658 -10.2658 -1.3815 -1.3815 1.1422 1.1422 1.3582 1.3582 13.0880 13.0880 15.6737 15.6737 18.1172 18.1172 20.9113 20.9113 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2436-1.1717 ( 529 PWs) bands (ev): -9.3010 -9.3010 -2.3850 -2.3850 -0.4113 -0.4113 2.3806 2.3806 11.7095 11.7095 17.2863 17.2863 18.7527 18.7527 20.4230 20.4230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2436-1.0262 ( 524 PWs) bands (ev): -8.0611 -8.0611 -3.4535 -3.4535 -1.9020 -1.9020 3.7344 3.7344 10.2459 10.2459 18.4922 18.4922 19.2104 19.2104 20.1257 20.1257 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2436-0.8806 ( 520 PWs) bands (ev): -6.6375 -6.6375 -4.9097 -4.9097 -2.6035 -2.6035 5.2653 5.2653 8.7671 8.7671 17.9896 17.9896 19.6770 19.6770 20.4751 20.4751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2436-0.7350 ( 519 PWs) bands (ev): -6.7782 -6.7782 -4.7922 -4.7922 -2.6019 -2.6019 5.9474 5.9474 8.2568 8.2568 17.7183 17.7183 19.4825 19.4825 20.3265 20.3265 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2436-0.5894 ( 521 PWs) bands (ev): -8.2155 -8.2155 -3.4014 -3.4014 -1.8620 -1.8620 4.7178 4.7178 9.7658 9.7658 17.2465 17.2465 19.4747 19.4747 20.2625 20.2625 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.1125-0.5073 ( 525 PWs) bands (ev): -9.4194 -9.4194 -2.3385 -2.3385 -0.3988 -0.3988 3.1181 3.1181 11.3701 11.3701 16.7028 16.7028 17.5013 17.5013 20.6412 20.6412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.1125-0.3617 ( 527 PWs) bands (ev): -10.5143 -10.5143 -0.6464 -0.6464 0.6912 0.6912 1.7222 1.7222 13.4703 13.4703 16.1556 16.1556 17.3503 17.3503 18.8653 18.8653 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.1125-0.2161 ( 527 PWs) bands (ev): -11.3001 -11.3001 0.5752 0.5752 0.7056 0.7056 2.0827 2.0827 14.9718 14.9718 16.0660 16.0660 16.3448 16.3448 18.6566 18.6566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.1125-0.0706 ( 529 PWs) bands (ev): -11.7649 -11.7649 -0.1192 -0.1192 1.7743 1.7743 2.9732 2.9732 15.3549 15.3549 15.7842 15.7842 17.0026 17.0026 18.0985 18.0985 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.1125 0.0750 ( 525 PWs) bands (ev): -11.9046 -11.9046 -0.4572 -0.4572 2.4051 2.4051 3.0722 3.0722 15.7148 15.7148 16.1659 16.1659 17.1381 17.1381 17.2782 17.2782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.1125 0.2206 ( 521 PWs) bands (ev): -11.7194 -11.7194 -0.3838 -0.3838 1.8133 1.8133 2.9416 2.9416 15.4491 15.4491 16.4922 16.4922 16.9348 16.9348 18.1024 18.1024 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.1125-1.3807 ( 527 PWs) bands (ev): -11.2136 -11.2136 0.1013 0.1013 0.6955 0.6955 2.0461 2.0461 15.3528 15.3528 15.9657 15.9657 17.7287 17.7287 18.6965 18.6965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.1125-1.2352 ( 529 PWs) bands (ev): -10.3951 -10.3951 -0.6695 -0.6695 0.6729 0.6729 1.0005 1.0005 13.7626 13.7626 17.1655 17.1655 18.6114 18.6114 18.8027 18.8027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.1125-1.0896 ( 522 PWs) bands (ev): -9.2787 -9.2787 -2.4301 -2.4301 -0.3877 -0.3877 2.2620 2.2620 11.9193 11.9193 17.4295 17.4295 19.1942 19.1942 20.0343 20.0343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.1125-0.9440 ( 527 PWs) bands (ev): -7.9001 -7.9001 -4.3628 -4.3628 -0.9723 -0.9723 3.7874 3.7874 10.0067 10.0067 17.1822 17.1822 19.1886 19.1886 21.1730 21.1730 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.1125-0.7984 ( 523 PWs) bands (ev): -6.7317 -6.7317 -5.7448 -5.7448 -1.1650 -1.1650 5.0754 5.0754 8.6160 8.6160 17.0370 17.0370 18.6984 18.6984 21.2070 21.2070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.1125-0.6529 ( 523 PWs) bands (ev): -8.0463 -8.0463 -4.2381 -4.2381 -0.9830 -0.9830 4.5901 4.5901 9.3436 9.3436 17.0335 17.0335 17.8650 17.8650 21.5647 23.0392 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.0185-0.5707 ( 523 PWs) bands (ev): -9.0819 -9.0819 -3.4721 -3.4721 0.5026 0.5026 3.2545 3.2545 10.5246 10.5246 15.3826 15.3826 17.6553 17.6553 23.1680 23.1680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.0185-0.4251 ( 524 PWs) bands (ev): -10.3296 -10.3296 -1.3566 -1.3566 1.1448 1.1448 1.7426 1.7426 12.9107 12.9107 15.6424 15.6424 16.8596 16.8596 20.9961 20.9961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.0185-0.2795 ( 525 PWs) bands (ev): -11.2757 -11.2757 0.4506 0.4506 0.7235 0.7235 2.0474 2.0474 15.1484 15.1484 15.9051 15.9051 16.4791 16.4791 18.7308 18.7308 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.0185-0.1340 ( 525 PWs) bands (ev): -11.9046 -11.9046 -0.4572 -0.4572 2.4051 2.4051 3.0722 3.0722 15.7148 15.7148 16.1659 16.1659 17.1381 17.1381 17.2782 17.2782 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.0185 0.0116 ( 524 PWs) bands (ev): -12.2100 -12.2100 -0.9805 -0.9805 3.4360 3.4360 3.7652 3.7652 15.5934 15.5934 16.2253 16.2253 16.2382 16.2382 18.2530 18.2530 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.0185 0.1572 ( 523 PWs) bands (ev): -12.1904 -12.1904 -1.0870 -1.0870 3.4506 3.4506 3.7501 3.7501 15.5759 15.5759 16.2418 16.2418 16.7203 16.7203 18.2133 18.2133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.0185-1.4441 ( 526 PWs) bands (ev): -11.8480 -11.8480 -0.7701 -0.7701 2.3989 2.3989 3.0673 3.0673 15.8701 15.8701 17.0227 17.0227 17.1382 17.1382 17.6719 17.6719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.0185-1.2986 ( 527 PWs) bands (ev): -11.1876 -11.1876 -0.0370 -0.0370 0.6645 0.6645 2.0600 2.0600 15.4740 15.4740 16.0352 16.0352 18.4537 18.4537 18.6446 18.6446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.0185-1.1530 ( 528 PWs) bands (ev): -10.2184 -10.2184 -1.4354 -1.4354 1.0958 1.0958 1.1625 1.1625 13.4000 13.4000 15.7781 15.7781 19.3316 19.3316 20.6643 20.6643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.0185-1.0074 ( 532 PWs) bands (ev): -8.9586 -8.9586 -3.5745 -3.5745 0.5136 0.5136 2.5548 2.5548 11.1602 11.1602 15.4648 15.4648 19.9312 19.9312 21.9543 21.9543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.0185-0.8618 ( 525 PWs) bands (ev): -7.4852 -7.4852 -5.5227 -5.5227 0.1767 0.1767 4.0826 4.0826 9.1919 9.1919 15.2645 15.2645 19.7594 19.7594 21.9992 21.9992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.0185-0.7163 ( 528 PWs) bands (ev): -7.5982 -7.5982 -5.4173 -5.4173 0.1728 0.1728 4.5179 4.5179 8.7706 8.7706 15.2366 15.2366 18.7360 18.7360 22.5065 22.5065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.1496-0.6341 ( 526 PWs) bands (ev): -8.4422 -8.4422 -4.5825 -4.5825 0.8246 0.8246 3.6718 3.6718 9.5506 9.5506 14.5592 14.5592 18.7092 18.7092 23.4614 23.4614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.1496-0.4885 ( 525 PWs) bands (ev): -9.8273 -9.8273 -2.4865 -2.4865 1.3029 1.3029 2.1339 2.1339 11.8384 11.8384 14.8007 14.8007 17.7788 17.7788 23.4833 23.4833 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.1496-0.3429 ( 520 PWs) bands (ev): -10.9285 -10.9285 -0.2889 -0.2889 0.7155 0.7155 2.0469 2.0469 14.3327 14.3327 15.1573 15.1573 17.1454 17.1454 20.6620 20.6620 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.1496-0.1974 ( 521 PWs) bands (ev): -11.7194 -11.7194 -0.3838 -0.3838 1.8133 1.8133 2.9416 2.9416 15.4491 15.4491 16.4922 16.4922 16.9348 16.9348 18.1024 18.1024 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.1496-0.0518 ( 523 PWs) bands (ev): -12.1904 -12.1904 -1.0870 -1.0870 3.4506 3.4506 3.7501 3.7501 15.5759 15.5759 16.2418 16.2418 16.7203 16.7203 18.2133 18.2133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.1496 0.0938 ( 529 PWs) bands (ev): -12.3382 -12.3382 -1.3739 -1.3739 4.0941 4.0941 4.1032 4.1032 15.5308 15.5308 15.5386 15.5386 16.9937 16.9937 18.7418 18.7418 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.1496-1.5075 ( 526 PWs) bands (ev): -12.1626 -12.1626 -1.2336 -1.2336 3.4369 3.4369 3.7578 3.7578 15.5969 15.5969 16.2345 16.2345 17.4777 17.4777 18.2357 18.2357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.1496-1.3620 ( 524 PWs) bands (ev): -11.6666 -11.6666 -0.6677 -0.6677 1.7812 1.7812 2.9527 2.9527 15.5335 15.5335 16.6795 16.6795 18.0927 18.0927 18.2801 18.2801 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.1496-1.2164 ( 524 PWs) bands (ev): -10.8561 -10.8561 -0.3394 -0.3394 0.3131 0.3131 2.0582 2.0582 14.6398 14.6398 15.2287 15.2287 19.0217 19.0217 20.6569 20.6569 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.1496-1.0708 ( 530 PWs) bands (ev): -9.7420 -9.7420 -2.5539 -2.5539 1.3115 1.3115 1.6535 1.6535 12.2827 12.2827 14.8657 14.8657 19.7587 19.7587 23.4917 23.4917 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.1496-0.9252 ( 526 PWs) bands (ev): -8.3534 -8.3534 -4.6612 -4.6612 0.8291 0.8291 3.2234 3.2234 9.9957 9.9957 14.5948 14.5948 20.2517 20.2517 22.4531 22.4531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167 0.1496-0.7797 ( 528 PWs) bands (ev): -7.1289 -7.1289 -6.1373 -6.1373 0.6620 0.6620 4.3699 4.3699 8.5890 8.5890 14.4854 14.4854 19.7702 19.7702 22.5352 22.5352 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.2919 0.0634 ( 530 PWs) bands (ev): -7.5461 -7.5461 -5.4423 -5.4423 0.1651 0.1651 4.2888 4.2888 8.8042 8.8042 15.1954 15.1954 19.4253 19.4253 22.7659 22.7659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.2919 0.2090 ( 526 PWs) bands (ev): -9.0206 -9.0206 -3.5006 -3.5006 0.4977 0.4977 2.8841 2.8841 10.6954 10.6954 15.3685 15.3685 18.7317 18.7317 22.8946 22.8946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.2919 0.3546 ( 526 PWs) bands (ev): -10.2658 -10.2658 -1.3815 -1.3815 1.1422 1.1422 1.3582 1.3582 13.0880 13.0880 15.6737 15.6737 18.1172 18.1172 20.9113 20.9113 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.2919 0.5001 ( 527 PWs) bands (ev): -11.2136 -11.2136 0.1013 0.1013 0.6955 0.6955 2.0461 2.0461 15.3528 15.3528 15.9657 15.9657 17.7287 17.7287 18.6965 18.6965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.2919 0.6457 ( 526 PWs) bands (ev): -11.8480 -11.8480 -0.7701 -0.7701 2.3989 2.3989 3.0673 3.0673 15.8701 15.8701 17.0227 17.0227 17.1382 17.1382 17.6719 17.6719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.2919 0.7913 ( 526 PWs) bands (ev): -12.1626 -12.1626 -1.2336 -1.2336 3.4369 3.4369 3.7578 3.7578 15.5969 15.5969 16.2345 16.2345 17.4777 17.4777 18.2357 18.2357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.2919-0.8100 ( 526 PWs) bands (ev): -12.1554 -12.1554 -1.2712 -1.2712 3.4421 3.4421 3.7522 3.7522 15.5882 15.5882 16.2358 16.2358 17.7645 17.7645 18.1603 18.1603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.2919-0.6645 ( 524 PWs) bands (ev): -11.8269 -11.8269 -0.8806 -0.8806 2.3968 2.3968 3.0656 3.0656 15.8760 15.8760 17.1237 17.1237 17.1724 17.1724 18.1553 18.1553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.2919-0.5189 ( 524 PWs) bands (ev): -11.1807 -11.1807 -0.0736 -0.0736 0.6766 0.6766 2.0506 2.0506 15.4577 15.4577 15.9954 15.9954 18.6060 18.6060 18.6618 18.6618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.2919-0.3733 ( 527 PWs) bands (ev): -10.2246 -10.2246 -1.4104 -1.4104 1.1234 1.1234 1.1538 1.1538 13.2696 13.2696 15.7144 15.7144 19.0940 19.0940 20.7961 20.7961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.2919-0.2277 ( 525 PWs) bands (ev): -8.9751 -8.9751 -3.5381 -3.5381 0.5019 0.5019 2.6343 2.6343 10.9299 10.9299 15.3970 15.3970 19.5642 19.5642 22.4894 22.4894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.2919-0.0822 ( 529 PWs) bands (ev): -7.5045 -7.5045 -5.4810 -5.4810 0.1666 0.1666 4.1302 4.1302 8.9605 8.9605 15.2053 15.2053 19.7922 19.7922 22.5694 22.5694 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1608-0.0000 ( 524 PWs) bands (ev): -6.6991 -6.6991 -5.7324 -5.7324 -1.1886 -1.1886 4.9441 4.9441 8.4529 8.4529 16.9438 16.9438 18.8847 18.8847 22.8722 22.8722 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1608 0.1456 ( 526 PWs) bands (ev): -7.9373 -7.9373 -4.2905 -4.2905 -1.0002 -1.0002 3.9551 3.9551 9.6298 9.6298 17.0447 17.0447 18.8548 18.8548 22.3208 22.3208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1608 0.2911 ( 529 PWs) bands (ev): -9.3010 -9.3010 -2.3850 -2.3850 -0.4113 -0.4113 2.3806 2.3806 11.7095 11.7095 17.2863 17.2863 18.7527 18.7527 20.4230 20.4230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1608 0.4367 ( 529 PWs) bands (ev): -10.3951 -10.3951 -0.6695 -0.6695 0.6729 0.6729 1.0005 1.0005 13.7626 13.7626 17.1655 17.1655 18.6114 18.6114 18.8027 18.8027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1608 0.5823 ( 527 PWs) bands (ev): -11.1876 -11.1876 -0.0370 -0.0370 0.6645 0.6645 2.0600 2.0600 15.4740 15.4740 16.0352 16.0352 18.4537 18.4537 18.6446 18.6446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1608 0.7279 ( 524 PWs) bands (ev): -11.6666 -11.6666 -0.6677 -0.6677 1.7812 1.7812 2.9527 2.9527 15.5335 15.5335 16.6795 16.6795 18.0927 18.0927 18.2801 18.2801 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1608-0.8734 ( 524 PWs) bands (ev): -11.8269 -11.8269 -0.8806 -0.8806 2.3968 2.3968 3.0656 3.0656 15.8760 15.8760 17.1237 17.1237 17.1724 17.1724 18.1553 18.1553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1608-0.7279 ( 524 PWs) bands (ev): -11.6666 -11.6666 -0.6677 -0.6677 1.7812 1.7812 2.9527 2.9527 15.5335 15.5335 16.6795 16.6795 18.0927 18.0927 18.2801 18.2801 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1608-0.5823 ( 527 PWs) bands (ev): -11.1876 -11.1876 -0.0370 -0.0370 0.6645 0.6645 2.0600 2.0600 15.4740 15.4740 16.0352 16.0352 18.4537 18.4537 18.6446 18.6446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1608-0.4367 ( 529 PWs) bands (ev): -10.3951 -10.3951 -0.6695 -0.6695 0.6729 0.6729 1.0005 1.0005 13.7626 13.7626 17.1655 17.1655 18.6114 18.6114 18.8027 18.8027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1608-0.2911 ( 529 PWs) bands (ev): -9.3010 -9.3010 -2.3850 -2.3850 -0.4113 -0.4113 2.3806 2.3806 11.7095 11.7095 17.2863 17.2863 18.7527 18.7527 20.4230 20.4230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1608-0.1456 ( 526 PWs) bands (ev): -7.9373 -7.9373 -4.2905 -4.2905 -1.0002 -1.0002 3.9551 3.9551 9.6298 9.6298 17.0447 17.0447 18.8548 18.8548 22.3208 22.3208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.0298-0.0634 ( 522 PWs) bands (ev): -6.6868 -6.6868 -4.8257 -4.8257 -2.6360 -2.6360 5.4499 5.4499 8.4641 8.4641 18.0282 18.0282 19.0028 19.0028 22.4708 22.4708 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.0298 0.0822 ( 524 PWs) bands (ev): -6.6485 -6.6485 -4.8573 -4.8573 -2.6368 -2.6368 5.2747 5.2747 8.6040 8.6040 18.0808 18.0808 19.0484 19.0484 21.9923 21.9923 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.0298 0.2277 ( 524 PWs) bands (ev): -8.0611 -8.0611 -3.4535 -3.4535 -1.9020 -1.9020 3.7344 3.7344 10.2459 10.2459 18.4922 18.4922 19.2104 19.2104 20.1257 20.1257 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.0298 0.3733 ( 522 PWs) bands (ev): -9.2787 -9.2787 -2.4301 -2.4301 -0.3877 -0.3877 2.2620 2.2620 11.9193 11.9193 17.4295 17.4295 19.1942 19.1942 20.0343 20.0343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.0298 0.5189 ( 528 PWs) bands (ev): -10.2184 -10.2184 -1.4354 -1.4354 1.0958 1.0958 1.1625 1.1625 13.4000 13.4000 15.7781 15.7781 19.3316 19.3316 20.6643 20.6643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.0298 0.6645 ( 524 PWs) bands (ev): -10.8561 -10.8561 -0.3394 -0.3394 0.3131 0.3131 2.0582 2.0582 14.6398 14.6398 15.2287 15.2287 19.0217 19.0217 20.6569 20.6569 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.0298-0.9369 ( 524 PWs) bands (ev): -11.1807 -11.1807 -0.0736 -0.0736 0.6766 0.6766 2.0506 2.0506 15.4577 15.4577 15.9954 15.9954 18.6060 18.6060 18.6618 18.6618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.0298-0.7913 ( 527 PWs) bands (ev): -11.1876 -11.1876 -0.0370 -0.0370 0.6645 0.6645 2.0600 2.0600 15.4740 15.4740 16.0352 16.0352 18.4537 18.4537 18.6446 18.6446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.0298-0.6457 ( 526 PWs) bands (ev): -10.8759 -10.8759 -0.3563 -0.3563 0.4211 0.4211 2.0701 2.0701 14.6817 14.6817 15.2905 15.2905 18.5645 18.5645 20.6574 20.6574 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.0298-0.5001 ( 525 PWs) bands (ev): -10.2491 -10.2491 -1.4502 -1.4502 1.1743 1.1743 1.2720 1.2720 13.4290 13.4290 15.8503 15.8503 18.6615 18.6615 20.5933 20.5933 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.0298-0.3546 ( 526 PWs) bands (ev): -9.3173 -9.3173 -2.4370 -2.4370 -0.3686 -0.3686 2.4846 2.4846 11.8763 11.8763 17.4947 17.4947 18.6851 18.6851 19.8954 19.8954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.0298-0.2090 ( 525 PWs) bands (ev): -8.1034 -8.1034 -3.4401 -3.4401 -1.8903 -1.8903 3.9801 3.9801 10.1104 10.1104 18.2490 18.2490 19.2061 19.2061 20.1781 20.1781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8988-0.1268 ( 519 PWs) bands (ev): -6.7125 -6.7125 -4.9099 -4.9099 -2.5549 -2.5549 5.7270 5.7270 8.5478 8.5478 17.9689 17.9689 19.8830 19.8830 20.1320 20.1320 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8988 0.0188 ( 522 PWs) bands (ev): -5.5412 -5.5412 -5.4442 -5.4442 -3.5064 -3.5064 6.7305 6.7305 7.4959 7.4959 17.6335 17.6335 19.9737 19.9737 21.6382 21.6382 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8988 0.1643 ( 520 PWs) bands (ev): -6.6375 -6.6375 -4.9097 -4.9097 -2.6035 -2.6035 5.2653 5.2653 8.7671 8.7671 17.9896 17.9896 19.6770 19.6770 20.4751 20.4751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8988 0.3099 ( 527 PWs) bands (ev): -7.9001 -7.9001 -4.3628 -4.3628 -0.9723 -0.9723 3.7874 3.7874 10.0067 10.0067 17.1822 17.1822 19.1886 19.1886 21.1730 21.1730 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8988 0.4555 ( 532 PWs) bands (ev): -8.9586 -8.9586 -3.5745 -3.5745 0.5136 0.5136 2.5548 2.5548 11.1602 11.1602 15.4648 15.4648 19.9312 19.9312 21.9543 21.9543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8988 0.6011 ( 530 PWs) bands (ev): -9.7420 -9.7420 -2.5539 -2.5539 1.3115 1.3115 1.6535 1.6535 12.2827 12.2827 14.8657 14.8657 19.7587 19.7587 23.4917 23.4917 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8988-1.0003 ( 527 PWs) bands (ev): -10.2246 -10.2246 -1.4104 -1.4104 1.1234 1.1234 1.1538 1.1538 13.2696 13.2696 15.7144 15.7144 19.0940 19.0940 20.7961 20.7961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8988-0.8547 ( 529 PWs) bands (ev): -10.3951 -10.3951 -0.6695 -0.6695 0.6729 0.6729 1.0005 1.0005 13.7626 13.7626 17.1655 17.1655 18.6114 18.6114 18.8027 18.8027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8988-0.7091 ( 525 PWs) bands (ev): -10.2491 -10.2491 -1.4502 -1.4502 1.1743 1.1743 1.2720 1.2720 13.4290 13.4290 15.8503 15.8503 18.6615 18.6615 20.5933 20.5933 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8988-0.5635 ( 518 PWs) bands (ev): -9.7885 -9.7885 -2.5949 -2.5949 1.3377 1.3377 1.9271 1.9271 12.4954 12.4954 15.0261 15.0261 18.8700 18.8700 22.2231 22.2231 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8988-0.4180 ( 520 PWs) bands (ev): -9.0223 -9.0223 -3.6085 -3.6085 0.5471 0.5471 2.9383 2.9383 11.3073 11.3073 15.6485 15.6485 18.9885 18.9885 21.2754 21.2754 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8988-0.2724 ( 522 PWs) bands (ev): -7.9745 -7.9745 -4.3842 -4.3842 -0.9265 -0.9265 4.2425 4.2425 9.9897 9.9897 17.4158 17.4158 18.7920 18.7920 20.4183 20.4183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.7677-0.1902 ( 520 PWs) bands (ev): -6.8035 -6.8035 -5.8014 -5.8014 -1.0989 -1.0989 5.6666 5.6666 8.6564 8.6564 17.4480 17.4480 18.7382 18.7382 19.5705 19.5705 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.7677-0.0447 ( 515 PWs) bands (ev): -6.7957 -6.7957 -4.8563 -4.8563 -2.5418 -2.5418 6.2468 6.2468 8.1963 8.1963 17.8346 17.8346 19.5018 19.5018 20.1494 20.1494 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.7677 0.1009 ( 519 PWs) bands (ev): -6.7782 -6.7782 -4.7922 -4.7922 -2.6019 -2.6019 5.9474 5.9474 8.2568 8.2568 17.7183 17.7183 19.4825 19.4825 20.3265 20.3265 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.7677 0.2465 ( 523 PWs) bands (ev): -6.7317 -6.7317 -5.7448 -5.7448 -1.1650 -1.1650 5.0754 5.0754 8.6160 8.6160 17.0370 17.0370 18.6984 18.6984 21.2070 21.2070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.7677 0.3921 ( 525 PWs) bands (ev): -7.4852 -7.4852 -5.5227 -5.5227 0.1767 0.1767 4.0826 4.0826 9.1919 9.1919 15.2645 15.2645 19.7594 19.7594 21.9992 21.9992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.7677 0.5376 ( 526 PWs) bands (ev): -8.3534 -8.3534 -4.6612 -4.6612 0.8291 0.8291 3.2234 3.2234 9.9957 9.9957 14.5948 14.5948 20.2517 20.2517 22.4531 22.4531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.7677-1.0637 ( 525 PWs) bands (ev): -8.9751 -8.9751 -3.5381 -3.5381 0.5019 0.5019 2.6343 2.6343 10.9299 10.9299 15.3970 15.3970 19.5642 19.5642 22.4894 22.4894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.7677-0.9181 ( 529 PWs) bands (ev): -9.3010 -9.3010 -2.3850 -2.3850 -0.4113 -0.4113 2.3806 2.3806 11.7095 11.7095 17.2863 17.2863 18.7527 18.7527 20.4230 20.4230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.7677-0.7725 ( 526 PWs) bands (ev): -9.3173 -9.3173 -2.4370 -2.4370 -0.3686 -0.3686 2.4846 2.4846 11.8763 11.8763 17.4947 17.4947 18.6851 18.6851 19.8954 19.8954 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.7677-0.6270 ( 520 PWs) bands (ev): -9.0223 -9.0223 -3.6085 -3.6085 0.5471 0.5471 2.9383 2.9383 11.3073 11.3073 15.6485 15.6485 18.9885 18.9885 21.2754 21.2754 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.7677-0.4814 ( 523 PWs) bands (ev): -8.4271 -8.4271 -4.7259 -4.7259 0.8681 0.8681 3.7004 3.7004 10.3843 10.3843 14.8622 14.8622 19.4097 19.4097 20.7147 20.7147 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.7677-0.3358 ( 522 PWs) bands (ev): -7.5772 -7.5772 -5.5726 -5.5726 0.2257 0.2257 4.6767 4.6767 9.4431 9.4431 15.5597 15.5597 19.5855 19.5855 19.7936 19.7936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6367-0.2536 ( 519 PWs) bands (ev): -7.6676 -7.6676 -5.5125 -5.5125 0.2320 0.2320 5.1508 5.1508 9.1371 9.1371 15.6031 15.6031 18.0589 18.0589 20.5827 20.5827 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6367-0.1081 ( 519 PWs) bands (ev): -8.0816 -8.0816 -4.3343 -4.3343 -0.9090 -0.9090 4.9450 4.9450 9.6007 9.6007 17.4084 17.4084 17.6834 17.6834 20.2817 20.2817 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6367 0.0375 ( 521 PWs) bands (ev): -8.2155 -8.2155 -3.4014 -3.4014 -1.8620 -1.8620 4.7178 4.7178 9.7658 9.7658 17.2465 17.2465 19.4747 19.4747 20.2625 20.2625 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6367 0.1831 ( 523 PWs) bands (ev): -8.0463 -8.0463 -4.2381 -4.2381 -0.9830 -0.9830 4.5901 4.5901 9.3436 9.3436 17.0335 17.0335 17.8650 17.8650 21.5647 21.5647 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6367 0.3287 ( 528 PWs) bands (ev): -7.5982 -7.5982 -5.4173 -5.4173 0.1728 0.1728 4.5179 4.5179 8.7706 8.7706 15.2366 15.2366 18.7360 18.7360 22.5064 22.5064 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6367 0.4742 ( 528 PWs) bands (ev): -7.1289 -7.1289 -6.1373 -6.1373 0.6620 0.6620 4.3699 4.3699 8.5890 8.5890 14.4854 14.4854 19.7702 19.7702 22.5352 22.5352 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6367-1.1271 ( 529 PWs) bands (ev): -7.5045 -7.5045 -5.4810 -5.4810 0.1666 0.1666 4.1302 4.1302 8.9605 8.9605 15.2053 15.2053 19.7922 19.7922 22.5694 22.5694 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6367-0.9815 ( 526 PWs) bands (ev): -7.9373 -7.9373 -4.2905 -4.2905 -1.0002 -1.0002 3.9551 3.9551 9.6298 9.6298 17.0447 17.0447 18.8548 18.8548 22.3208 22.3208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6367-0.8359 ( 525 PWs) bands (ev): -8.1034 -8.1034 -3.4401 -3.4401 -1.8903 -1.8903 3.9801 3.9801 10.1104 10.1104 18.2490 18.2490 19.2061 19.2061 20.1781 20.1781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6367-0.6904 ( 522 PWs) bands (ev): -7.9745 -7.9745 -4.3842 -4.3842 -0.9265 -0.9265 4.2425 4.2425 9.9897 9.9897 17.4158 17.4158 18.7920 18.7920 20.4183 20.4183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6367-0.5448 ( 522 PWs) bands (ev): -7.5772 -7.5772 -5.5726 -5.5726 0.2257 0.2257 4.6767 4.6767 9.4431 9.4431 15.5597 15.5597 19.5855 19.5855 19.7936 19.7936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6367-0.3992 ( 527 PWs) bands (ev): -7.2283 -7.2283 -6.2124 -6.2124 0.7104 0.7104 5.0736 5.0736 9.0211 9.0211 14.8348 14.8348 18.8092 18.8092 20.3039 20.3039 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6068 0.3805 ( 528 PWs) bands (ev): -7.2343 -7.2343 -6.2204 -6.2204 0.7139 0.7139 5.1564 5.1564 8.9974 8.9974 14.8623 14.8623 19.4088 19.4088 19.5469 19.5469 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6068 0.5260 ( 519 PWs) bands (ev): -7.6281 -7.6281 -5.5501 -5.5501 0.2335 0.2335 4.9684 4.9684 9.2882 9.2882 15.6100 15.6100 18.7724 18.7724 20.1990 20.1990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6068 0.6716 ( 518 PWs) bands (ev): -8.0314 -8.0314 -4.3666 -4.3666 -0.9119 -0.9119 4.6080 4.6080 9.8106 9.8106 17.4877 17.4877 18.1650 18.1650 20.5994 20.5994 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6068 0.8172 ( 523 PWs) bands (ev): -8.1602 -8.1602 -3.4212 -3.4212 -1.8755 -1.8755 4.3349 4.3349 9.9356 9.9356 17.7499 17.7499 19.3569 19.3569 20.2532 20.2532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6068 0.9628 ( 522 PWs) bands (ev): -7.9895 -7.9895 -4.2569 -4.2569 -0.9972 -0.9972 4.2422 4.2422 9.4508 9.4508 17.0337 17.0337 18.4069 18.4069 22.3567 22.3567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6068 1.1083 ( 530 PWs) bands (ev): -7.5461 -7.5461 -5.4423 -5.4423 0.1651 0.1651 4.2888 4.2888 8.8042 8.8042 15.1954 15.1954 19.4253 19.4253 22.7659 22.7659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.6068-0.4930 ( 526 PWs) bands (ev): -7.1194 -7.1194 -6.1339 -6.1339 0.6584 0.6584 4.3362 4.3362 8.5171 8.5171 14.4597 14.4597 20.0945 20.0945 22.5491 22.5491 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7378 0.3170 ( 519 PWs) bands (ev): -7.6281 -7.6281 -5.5501 -5.5501 0.2335 0.2335 4.9684 4.9684 9.2882 9.2882 15.6100 15.6100 18.7724 18.7724 20.1990 20.1990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7378 0.4626 ( 523 PWs) bands (ev): -8.4865 -8.4865 -4.7081 -4.7081 0.8764 0.8764 4.0742 4.0742 10.2180 10.2180 14.9228 14.9228 18.3018 18.3018 21.0433 21.0433 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7378 0.6082 ( 521 PWs) bands (ev): -9.0838 -9.0838 -3.5981 -3.5981 0.5597 0.5597 3.3281 3.3281 11.1634 11.1634 15.7190 15.7190 17.8961 17.8961 21.4438 21.4438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7378 0.7538 ( 522 PWs) bands (ev): -9.3769 -9.3769 -2.4300 -2.4300 -0.3510 -0.3510 2.8522 2.8522 11.7391 11.7391 17.3670 17.3670 17.9269 17.9269 19.9664 19.9664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7378 0.8993 ( 527 PWs) bands (ev): -9.3552 -9.3552 -2.3583 -2.3583 -0.4095 -0.4095 2.6996 2.6996 11.5318 11.5318 17.2127 17.2127 17.9687 17.9687 20.5437 20.5437 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7378 1.0449 ( 526 PWs) bands (ev): -9.0206 -9.0206 -3.5006 -3.5006 0.4977 0.4977 2.8841 2.8841 10.6954 10.6954 15.3685 15.3685 18.7317 18.7317 22.8946 22.8946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7378-0.5564 ( 533 PWs) bands (ev): -8.3878 -8.3878 -4.6186 -4.6186 0.8232 0.8232 3.3841 3.3841 9.7342 9.7342 14.5530 14.5530 19.6788 19.6788 23.0771 23.0771 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7378-0.4108 ( 529 PWs) bands (ev): -7.5045 -7.5045 -5.4810 -5.4810 0.1666 0.1666 4.1302 4.1302 8.9605 8.9605 15.2053 15.2053 19.7922 19.7922 22.5694 22.5694 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7378-0.2653 ( 526 PWs) bands (ev): -6.7082 -6.7082 -5.7352 -5.7352 -1.1825 -1.1825 4.9758 4.9758 8.5026 8.5026 16.9653 16.9653 18.8198 18.8198 22.2654 22.2654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7378-0.1197 ( 523 PWs) bands (ev): -6.7345 -6.7345 -4.8017 -4.8017 -2.6233 -2.6233 5.6895 5.6895 8.3462 8.3462 17.7973 17.7973 19.2567 19.2567 21.5683 21.5684 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7378 0.0259 ( 520 PWs) bands (ev): -6.7592 -6.7592 -4.8877 -4.8877 -2.5416 -2.5416 6.0252 6.0252 8.3534 8.3534 17.7787 17.7787 19.9950 19.9950 20.4396 20.4396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.7378 0.1715 ( 516 PWs) bands (ev): -6.8093 -6.8093 -5.8085 -5.8085 -1.0922 -1.0922 5.7514 5.7514 8.6169 8.6169 17.4989 17.4989 18.5638 18.5638 19.9688 19.9688 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.8688 0.2536 ( 518 PWs) bands (ev): -8.0314 -8.0314 -4.3666 -4.3666 -0.9119 -0.9119 4.6080 4.6080 9.8106 9.8106 17.4877 17.4877 18.1650 18.1650 20.5994 20.5995 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.8688 0.3992 ( 521 PWs) bands (ev): -9.0838 -9.0838 -3.5981 -3.5981 0.5597 0.5597 3.3281 3.3281 11.1634 11.1634 15.7190 15.7190 17.8961 17.8961 21.4438 21.4438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.8688 0.5448 ( 518 PWs) bands (ev): -9.8502 -9.8502 -2.5911 -2.5911 1.3490 1.3490 2.3071 2.3071 12.3850 12.3850 15.0973 15.0973 17.6258 17.6258 22.3086 22.3086 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.8688 0.6904 ( 523 PWs) bands (ev): -10.3073 -10.3073 -1.4509 -1.4509 1.1900 1.1900 1.6166 1.6166 13.3311 13.3311 15.9108 15.9108 17.4748 17.4748 20.6141 20.6141 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.8688 0.8359 ( 528 PWs) bands (ev): -10.4463 -10.4463 -0.6599 -0.6599 0.6809 0.6809 1.2940 1.2940 13.6437 13.6437 17.0606 17.0606 17.6829 17.6829 18.8089 18.8089 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.8688 0.9815 ( 526 PWs) bands (ev): -10.2658 -10.2658 -1.3815 -1.3815 1.1422 1.1422 1.3582 1.3582 13.0880 13.0880 15.6737 15.6737 18.1172 18.1172 20.9113 20.9113 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.8688-0.6198 ( 529 PWs) bands (ev): -9.7712 -9.7712 -2.5191 -2.5191 1.3039 1.3039 1.8095 1.8095 12.0527 12.0527 14.8148 14.8148 18.9864 18.9864 23.4885 23.4885 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.8688-0.4742 ( 525 PWs) bands (ev): -8.9751 -8.9751 -3.5381 -3.5381 0.5019 0.5019 2.6343 2.6343 10.9299 10.9299 15.3970 15.3970 19.5642 19.5642 22.4894 22.4894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.8688-0.3287 ( 525 PWs) bands (ev): -7.9042 -7.9042 -4.3292 -4.3292 -0.9910 -0.9910 3.7916 3.7916 9.8388 9.8388 17.0919 17.0919 19.0930 19.0930 21.8564 21.8564 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.8688-0.1831 ( 520 PWs) bands (ev): -6.6302 -6.6302 -4.8878 -4.8878 -2.6250 -2.6250 5.2055 5.2055 8.7238 8.7238 17.9761 17.9761 19.3655 19.3655 21.2785 21.2785 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.8688-0.0375 ( 522 PWs) bands (ev): -5.5406 -5.5406 -5.4448 -5.4448 -3.5063 -3.5063 6.7238 6.7238 7.5045 7.5045 17.5335 17.5335 20.5405 20.5405 21.0514 21.0514 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.8688 0.1081 ( 520 PWs) bands (ev): -6.7592 -6.7592 -4.8877 -4.8877 -2.5416 -2.5416 6.0252 6.0252 8.3534 8.3534 17.7787 17.7787 19.9950 19.9950 20.4396 20.4396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.9999 0.1902 ( 523 PWs) bands (ev): -8.1602 -8.1602 -3.4212 -3.4212 -1.8755 -1.8755 4.3349 4.3349 9.9356 9.9356 17.7499 17.7499 19.3569 19.3569 20.2532 20.2532 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.9999 0.3358 ( 522 PWs) bands (ev): -9.3769 -9.3769 -2.4300 -2.4300 -0.3510 -0.3510 2.8522 2.8522 11.7391 11.7391 17.3670 17.3670 17.9269 17.9269 19.9664 19.9664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.9999 0.4814 ( 523 PWs) bands (ev): -10.3073 -10.3073 -1.4509 -1.4509 1.1900 1.1900 1.6166 1.6166 13.3311 13.3311 15.9108 15.9108 17.4748 17.4748 20.6141 20.6141 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.9999 0.6270 ( 524 PWs) bands (ev): -10.9288 -10.9288 -0.3614 -0.3614 0.7232 0.7232 2.0824 2.0824 14.5761 14.5761 15.3572 15.3572 17.4030 17.4030 20.6598 20.6598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.9999 0.7725 ( 525 PWs) bands (ev): -11.2319 -11.2319 0.2043 0.2043 0.6634 0.6634 2.0720 2.0720 15.3634 15.3634 16.0762 16.0762 17.4344 17.4344 18.6396 18.6396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.9999 0.9181 ( 527 PWs) bands (ev): -11.2136 -11.2136 0.1013 0.1013 0.6955 0.6955 2.0461 2.0461 15.3528 15.3528 15.9657 15.9657 17.7287 17.7287 18.6965 18.6965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.9999-0.6832 ( 520 PWs) bands (ev): -10.8757 -10.8757 -0.3146 -0.3146 0.4171 0.4171 2.0498 2.0498 14.5069 14.5069 15.1812 15.1812 18.4082 18.4082 20.6588 20.6588 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.9999-0.5376 ( 527 PWs) bands (ev): -10.2246 -10.2246 -1.4104 -1.4104 1.1234 1.1234 1.1538 1.1538 13.2696 13.2696 15.7144 15.7144 19.0940 19.0940 20.7961 20.7961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.9999-0.3921 ( 530 PWs) bands (ev): -9.2727 -9.2727 -2.4112 -2.4112 -0.4035 -0.4035 2.2252 2.2252 11.8550 11.8550 17.3493 17.3493 19.1816 19.1816 20.2803 20.2803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.9999-0.2465 ( 526 PWs) bands (ev): -8.0453 -8.0453 -3.4583 -3.4583 -1.9065 -1.9065 3.6471 3.6471 10.2971 10.2971 18.5088 18.5088 19.2847 19.2847 20.1070 20.1070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.9999-0.1009 ( 520 PWs) bands (ev): -6.6302 -6.6302 -4.8878 -4.8878 -2.6250 -2.6250 5.2055 5.2055 8.7238 8.7238 17.9761 17.9761 19.3655 19.3655 21.2785 21.2785 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.9999 0.0447 ( 523 PWs) bands (ev): -6.7345 -6.7345 -4.8017 -4.8017 -2.6233 -2.6233 5.6895 5.6895 8.3462 8.3462 17.7973 17.7973 19.2567 19.2567 21.5683 21.5684 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.1309 0.1268 ( 522 PWs) bands (ev): -7.9895 -7.9895 -4.2569 -4.2569 -0.9972 -0.9972 4.2422 4.2422 9.4508 9.4508 17.0337 17.0337 18.4069 18.4069 22.3567 22.3567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.1309 0.2724 ( 527 PWs) bands (ev): -9.3552 -9.3552 -2.3583 -2.3583 -0.4095 -0.4095 2.6996 2.6996 11.5318 11.5318 17.2127 17.2127 17.9687 17.9687 20.5437 20.5437 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.1309 0.4180 ( 528 PWs) bands (ev): -10.4463 -10.4463 -0.6599 -0.6599 0.6809 0.6809 1.2940 1.2940 13.6437 13.6437 17.0606 17.0606 17.6829 17.6829 18.8089 18.8089 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.1309 0.5635 ( 525 PWs) bands (ev): -11.2319 -11.2319 0.2043 0.2043 0.6634 0.6634 2.0720 2.0720 15.3634 15.3634 16.0762 16.0762 17.4344 17.4344 18.6396 18.6396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.1309 0.7091 ( 528 PWs) bands (ev): -11.7006 -11.7006 -0.4865 -0.4865 1.7733 1.7733 2.9632 2.9632 15.5597 15.5597 16.4793 16.4793 17.5741 17.5741 18.0936 18.0936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.1309 0.8547 ( 526 PWs) bands (ev): -11.8480 -11.8480 -0.7701 -0.7701 2.3989 2.3989 3.0673 3.0673 15.8701 15.8701 17.0227 17.0227 17.1382 17.1382 17.6719 17.6719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.1309-0.7466 ( 519 PWs) bands (ev): -11.6736 -11.6736 -0.6314 -0.6314 1.7957 1.7957 2.9451 2.9451 15.4995 15.4995 16.6641 16.6641 18.0121 18.0121 18.0962 18.0962 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.1309-0.6011 ( 524 PWs) bands (ev): -11.1807 -11.1807 -0.0736 -0.0736 0.6766 0.6766 2.0506 2.0506 15.4577 15.4577 15.9954 15.9954 18.6060 18.6060 18.6618 18.6618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.1309-0.4555 ( 524 PWs) bands (ev): -10.3760 -10.3760 -0.6729 -0.6729 0.6699 0.6699 0.8967 0.8967 13.8061 13.8061 17.1747 17.1747 18.7071 18.7071 19.1283 19.1283 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.1309-0.3099 ( 530 PWs) bands (ev): -9.2727 -9.2727 -2.4112 -2.4112 -0.4035 -0.4035 2.2252 2.2252 11.8550 11.8550 17.3493 17.3493 19.1816 19.1816 20.2803 20.2803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.1309-0.1643 ( 525 PWs) bands (ev): -7.9042 -7.9042 -4.3292 -4.3292 -0.9910 -0.9910 3.7916 3.7916 9.8388 9.8388 17.0919 17.0919 19.0930 19.0930 21.8564 21.8564 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.1309-0.0188 ( 526 PWs) bands (ev): -6.7082 -6.7082 -5.7352 -5.7352 -1.1825 -1.1825 4.9758 4.9758 8.5026 8.5026 16.9653 16.9653 18.8198 18.8198 22.2654 22.2654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2620 0.0634 ( 530 PWs) bands (ev): -7.5461 -7.5461 -5.4423 -5.4423 0.1651 0.1651 4.2888 4.2888 8.8042 8.8042 15.1954 15.1954 19.4253 19.4253 22.7659 22.7659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2620 0.2090 ( 526 PWs) bands (ev): -9.0206 -9.0206 -3.5006 -3.5006 0.4977 0.4977 2.8841 2.8841 10.6954 10.6954 15.3685 15.3685 18.7317 18.7317 22.8946 22.8946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2620 0.3546 ( 526 PWs) bands (ev): -10.2658 -10.2658 -1.3815 -1.3815 1.1422 1.1422 1.3582 1.3582 13.0880 13.0880 15.6737 15.6737 18.1172 18.1172 20.9113 20.9113 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2620 0.5001 ( 527 PWs) bands (ev): -11.2136 -11.2136 0.1013 0.1013 0.6955 0.6955 2.0461 2.0461 15.3528 15.3528 15.9657 15.9657 17.7287 17.7287 18.6965 18.6965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2620 0.6457 ( 526 PWs) bands (ev): -11.8480 -11.8480 -0.7701 -0.7701 2.3989 2.3989 3.0673 3.0673 15.8701 15.8701 17.0227 17.0227 17.1382 17.1382 17.6719 17.6719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2620 0.7913 ( 526 PWs) bands (ev): -12.1626 -12.1626 -1.2336 -1.2336 3.4369 3.4369 3.7578 3.7578 15.5969 15.5969 16.2345 16.2345 17.4777 17.4777 18.2357 18.2357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2620-0.8100 ( 526 PWs) bands (ev): -12.1554 -12.1554 -1.2712 -1.2712 3.4421 3.4421 3.7522 3.7522 15.5882 15.5882 16.2358 16.2358 17.7645 17.7645 18.1603 18.1603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2620-0.6645 ( 524 PWs) bands (ev): -11.8269 -11.8269 -0.8806 -0.8806 2.3968 2.3968 3.0656 3.0656 15.8760 15.8760 17.1237 17.1237 17.1724 17.1724 18.1553 18.1553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2620-0.5189 ( 524 PWs) bands (ev): -11.1807 -11.1807 -0.0736 -0.0736 0.6766 0.6766 2.0506 2.0506 15.4577 15.4577 15.9954 15.9954 18.6060 18.6060 18.6618 18.6618 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2620-0.3733 ( 527 PWs) bands (ev): -10.2246 -10.2246 -1.4104 -1.4104 1.1234 1.1234 1.1538 1.1538 13.2696 13.2696 15.7144 15.7144 19.0940 19.0940 20.7961 20.7961 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2620-0.2277 ( 525 PWs) bands (ev): -8.9751 -8.9751 -3.5381 -3.5381 0.5019 0.5019 2.6343 2.6343 10.9299 10.9299 15.3970 15.3970 19.5642 19.5642 22.4894 22.4894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2620-0.0822 ( 529 PWs) bands (ev): -7.5045 -7.5045 -5.4810 -5.4810 0.1666 0.1666 4.1302 4.1302 8.9605 8.9605 15.2053 15.2053 19.7922 19.7922 22.5694 22.5694 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.1795 0.7609 ( 526 PWs) bands (ev): -7.1194 -7.1194 -6.1339 -6.1339 0.6584 0.6584 4.3362 4.3362 8.5171 8.5171 14.4597 14.4597 20.0945 20.0945 22.5491 22.5491 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.1795 0.9065 ( 533 PWs) bands (ev): -8.3878 -8.3878 -4.6186 -4.6186 0.8232 0.8232 3.3841 3.3841 9.7342 9.7342 14.5530 14.5530 19.6788 19.6788 23.0771 23.0771 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.1795 1.0521 ( 529 PWs) bands (ev): -9.7712 -9.7712 -2.5191 -2.5191 1.3039 1.3039 1.8095 1.8095 12.0527 12.0527 14.8148 14.8148 18.9864 18.9864 23.4885 23.4885 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.1795 1.1976 ( 520 PWs) bands (ev): -10.8757 -10.8757 -0.3146 -0.3146 0.4171 0.4171 2.0498 2.0498 14.5069 14.5069 15.1812 15.1812 18.4082 18.4082 20.6588 20.6588 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.1795 1.3432 ( 519 PWs) bands (ev): -11.6736 -11.6736 -0.6314 -0.6314 1.7957 1.7957 2.9451 2.9451 15.4995 15.4995 16.6641 16.6641 18.0121 18.0121 18.0962 18.0962 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.1795 1.4888 ( 526 PWs) bands (ev): -12.1554 -12.1554 -1.2712 -1.2712 3.4421 3.4421 3.7522 3.7522 15.5882 15.5882 16.2358 16.2358 17.7645 17.7645 18.1603 18.1603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.1795-0.1125 ( 522 PWs) bands (ev): -12.3163 -12.3163 -1.4865 -1.4865 4.0927 4.0927 4.1019 4.1019 15.5284 15.5284 15.5362 15.5362 17.7035 17.7035 18.6742 18.6742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 the Fermi energy is 7.1305 ev ! total energy = -24.85221429 Ry Harris-Foulkes estimate = -24.85221429 Ry estimated scf accuracy < 4.3E-10 Ry The total energy is the sum of the following terms: one-electron contribution = -5.31148669 Ry hartree contribution = 6.73922968 Ry xc contribution = -9.29845133 Ry ewald contribution = -16.98150594 Ry smearing contrib. (-TS) = -0.00000000 Ry convergence has been achieved in 6 iterations Writing output data file C.save init_run : 3.53s CPU 3.92s WALL ( 1 calls) electrons : 67.40s CPU 78.74s WALL ( 1 calls) Called by init_run: wfcinit : 3.41s CPU 3.65s WALL ( 1 calls) potinit : 0.01s CPU 0.01s WALL ( 1 calls) Called by electrons: c_bands : 60.26s CPU 70.95s WALL ( 6 calls) sum_band : 7.10s CPU 7.39s WALL ( 6 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 7 calls) v_h : 0.00s CPU 0.00s WALL ( 7 calls) v_xc : 0.01s CPU 0.01s WALL ( 7 calls) newd : 0.01s CPU 0.01s WALL ( 7 calls) mix_rho : 0.01s CPU 0.01s WALL ( 6 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.12s WALL ( 11284 calls) cegterg : 59.31s CPU 61.54s WALL ( 5208 calls) Called by sum_band: sum_band:bec : 0.63s CPU 0.67s WALL ( 5208 calls) addusdens : 0.00s CPU 0.00s WALL ( 6 calls) Called by *egterg: h_psi : 32.92s CPU 34.29s WALL ( 19136 calls) s_psi : 0.37s CPU 0.38s WALL ( 19136 calls) g_psi : 0.03s CPU 0.04s WALL ( 13060 calls) cdiaghg : 24.77s CPU 25.47s WALL ( 18268 calls) cegterg:over : 1.30s CPU 1.37s WALL ( 13060 calls) cegterg:upda : 0.77s CPU 0.91s WALL ( 13060 calls) cegterg:last : 0.45s CPU 0.49s WALL ( 5208 calls) cdiaghg:chol : 1.70s CPU 1.59s WALL ( 18268 calls) cdiaghg:inve : 0.38s CPU 0.39s WALL ( 18268 calls) cdiaghg:para : 1.81s CPU 1.96s WALL ( 36536 calls) Called by h_psi: h_psi:vloc : 31.48s CPU 32.71s WALL ( 19136 calls) h_psi:vnl : 1.38s CPU 1.51s WALL ( 19136 calls) add_vuspsi : 0.50s CPU 0.51s WALL ( 19136 calls) General routines calbec : 1.10s CPU 1.25s WALL ( 24344 calls) fft : 0.02s CPU 0.03s WALL ( 201 calls) ffts : 0.00s CPU 0.00s WALL ( 52 calls) fftw : 34.37s CPU 35.91s WALL ( 1069852 calls) interpolate : 0.01s CPU 0.01s WALL ( 52 calls) Parallel routines fft_scatter : 18.36s CPU 19.52s WALL ( 1070105 calls) PWSCF : 1m18.67s CPU 2m19.30s WALL This run was terminated on: 17:10: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=