Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:11:13 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 22 11 4 326 110 30 Max 23 12 5 329 122 34 Sum 809 403 167 11779 4205 1153 bravais-lattice index = 14 lattice parameter (alat) = 7.4956 a.u. unit-cell volume = 118.0260 (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)= 7.495625 celldm(2)= 0.899052 celldm(3)= 0.619193 celldm(4)= 0.172174 celldm(5)= 0.464399 celldm(6)= 0.792443 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.712448 0.548373 0.000000 ) a(3) = ( 0.287552 -0.198804 0.511067 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.299202 -1.068038 ) b(2) = ( 0.000000 1.823576 0.709368 ) b(3) = ( 0.000000 0.000000 1.956689 ) 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 0.1630574), wk = 0.0011574 k( 3) = ( 0.0000000 0.0000000 0.3261148), wk = 0.0011574 k( 4) = ( 0.0000000 0.0000000 0.4891723), wk = 0.0011574 k( 5) = ( 0.0000000 0.0000000 0.6522297), wk = 0.0011574 k( 6) = ( 0.0000000 0.0000000 0.8152871), wk = 0.0011574 k( 7) = ( 0.0000000 0.0000000 -0.9783445), wk = 0.0005787 k( 8) = ( 0.0000000 0.1519647 0.0591140), wk = 0.0011574 k( 9) = ( 0.0000000 0.1519647 0.2221714), wk = 0.0011574 k( 10) = ( 0.0000000 0.1519647 0.3852288), wk = 0.0011574 k( 11) = ( 0.0000000 0.1519647 0.5482863), wk = 0.0011574 k( 12) = ( 0.0000000 0.1519647 0.7113437), wk = 0.0011574 k( 13) = ( 0.0000000 0.1519647 0.8744011), wk = 0.0011574 k( 14) = ( 0.0000000 0.1519647 -0.9192305), wk = 0.0011574 k( 15) = ( 0.0000000 0.1519647 -0.7561731), wk = 0.0011574 k( 16) = ( 0.0000000 0.1519647 -0.5931157), wk = 0.0011574 k( 17) = ( 0.0000000 0.1519647 -0.4300583), wk = 0.0011574 k( 18) = ( 0.0000000 0.1519647 -0.2670008), wk = 0.0011574 k( 19) = ( 0.0000000 0.1519647 -0.1039434), wk = 0.0011574 k( 20) = ( 0.0000000 0.3039293 0.1182280), wk = 0.0011574 k( 21) = ( 0.0000000 0.3039293 0.2812854), wk = 0.0011574 k( 22) = ( 0.0000000 0.3039293 0.4443428), wk = 0.0011574 k( 23) = ( 0.0000000 0.3039293 0.6074003), wk = 0.0011574 k( 24) = ( 0.0000000 0.3039293 0.7704577), wk = 0.0011574 k( 25) = ( 0.0000000 0.3039293 0.9335151), wk = 0.0011574 k( 26) = ( 0.0000000 0.3039293 -0.8601165), wk = 0.0011574 k( 27) = ( 0.0000000 0.3039293 -0.6970591), wk = 0.0011574 k( 28) = ( 0.0000000 0.3039293 -0.5340017), wk = 0.0011574 k( 29) = ( 0.0000000 0.3039293 -0.3709443), wk = 0.0011574 k( 30) = ( 0.0000000 0.3039293 -0.2078868), wk = 0.0011574 k( 31) = ( 0.0000000 0.3039293 -0.0448294), wk = 0.0011574 k( 32) = ( 0.0000000 0.4558940 0.1773420), wk = 0.0011574 k( 33) = ( 0.0000000 0.4558940 0.3403994), wk = 0.0011574 k( 34) = ( 0.0000000 0.4558940 0.5034568), wk = 0.0011574 k( 35) = ( 0.0000000 0.4558940 0.6665143), wk = 0.0011574 k( 36) = ( 0.0000000 0.4558940 0.8295717), wk = 0.0011574 k( 37) = ( 0.0000000 0.4558940 0.9926291), wk = 0.0011574 k( 38) = ( 0.0000000 0.4558940 -0.8010025), wk = 0.0011574 k( 39) = ( 0.0000000 0.4558940 -0.6379451), wk = 0.0011574 k( 40) = ( 0.0000000 0.4558940 -0.4748877), wk = 0.0011574 k( 41) = ( 0.0000000 0.4558940 -0.3118303), wk = 0.0011574 k( 42) = ( 0.0000000 0.4558940 -0.1487728), wk = 0.0011574 k( 43) = ( 0.0000000 0.4558940 0.0142846), wk = 0.0011574 k( 44) = ( 0.0000000 0.6078586 0.2364560), wk = 0.0011574 k( 45) = ( 0.0000000 0.6078586 0.3995134), wk = 0.0011574 k( 46) = ( 0.0000000 0.6078586 0.5625708), wk = 0.0011574 k( 47) = ( 0.0000000 0.6078586 0.7256282), wk = 0.0011574 k( 48) = ( 0.0000000 0.6078586 0.8886857), wk = 0.0011574 k( 49) = ( 0.0000000 0.6078586 1.0517431), wk = 0.0011574 k( 50) = ( 0.0000000 0.6078586 -0.7418885), wk = 0.0011574 k( 51) = ( 0.0000000 0.6078586 -0.5788311), wk = 0.0011574 k( 52) = ( 0.0000000 0.6078586 -0.4157737), wk = 0.0011574 k( 53) = ( 0.0000000 0.6078586 -0.2527163), wk = 0.0011574 k( 54) = ( 0.0000000 0.6078586 -0.0896589), wk = 0.0011574 k( 55) = ( 0.0000000 0.6078586 0.0733986), wk = 0.0011574 k( 56) = ( 0.0000000 0.7598233 0.2955700), wk = 0.0011574 k( 57) = ( 0.0000000 0.7598233 0.4586274), wk = 0.0011574 k( 58) = ( 0.0000000 0.7598233 0.6216848), wk = 0.0011574 k( 59) = ( 0.0000000 0.7598233 0.7847422), wk = 0.0011574 k( 60) = ( 0.0000000 0.7598233 0.9477997), wk = 0.0011574 k( 61) = ( 0.0000000 0.7598233 1.1108571), wk = 0.0011574 k( 62) = ( 0.0000000 0.7598233 -0.6827745), wk = 0.0011574 k( 63) = ( 0.0000000 0.7598233 -0.5197171), wk = 0.0011574 k( 64) = ( 0.0000000 0.7598233 -0.3566597), wk = 0.0011574 k( 65) = ( 0.0000000 0.7598233 -0.1936023), wk = 0.0011574 k( 66) = ( 0.0000000 0.7598233 -0.0305449), wk = 0.0011574 k( 67) = ( 0.0000000 0.7598233 0.1325126), wk = 0.0011574 k( 68) = ( 0.0000000 -0.9117880 -0.3546840), wk = 0.0005787 k( 69) = ( 0.0000000 -0.9117880 -0.1916266), wk = 0.0011574 k( 70) = ( 0.0000000 -0.9117880 -0.0285691), wk = 0.0011574 k( 71) = ( 0.0000000 -0.9117880 0.1344883), wk = 0.0011574 k( 72) = ( 0.0000000 -0.9117880 0.2975457), wk = 0.0011574 k( 73) = ( 0.0000000 -0.9117880 0.4606031), wk = 0.0011574 k( 74) = ( 0.0000000 -0.9117880 -1.3330285), wk = 0.0005787 k( 75) = ( 0.0833333 -0.1082669 -0.0890032), wk = 0.0011574 k( 76) = ( 0.0833333 -0.1082669 0.0740542), wk = 0.0011574 k( 77) = ( 0.0833333 -0.1082669 0.2371117), wk = 0.0011574 k( 78) = ( 0.0833333 -0.1082669 0.4001691), wk = 0.0011574 k( 79) = ( 0.0833333 -0.1082669 0.5632265), wk = 0.0011574 k( 80) = ( 0.0833333 -0.1082669 0.7262839), wk = 0.0011574 k( 81) = ( 0.0833333 -0.1082669 -1.0673477), wk = 0.0011574 k( 82) = ( 0.0833333 -0.1082669 -0.9042903), wk = 0.0011574 k( 83) = ( 0.0833333 -0.1082669 -0.7412329), wk = 0.0011574 k( 84) = ( 0.0833333 -0.1082669 -0.5781754), wk = 0.0011574 k( 85) = ( 0.0833333 -0.1082669 -0.4151180), wk = 0.0011574 k( 86) = ( 0.0833333 -0.1082669 -0.2520606), wk = 0.0011574 k( 87) = ( 0.0833333 0.0436978 -0.0298892), wk = 0.0011574 k( 88) = ( 0.0833333 0.0436978 0.1331682), wk = 0.0011574 k( 89) = ( 0.0833333 0.0436978 0.2962257), wk = 0.0011574 k( 90) = ( 0.0833333 0.0436978 0.4592831), wk = 0.0011574 k( 91) = ( 0.0833333 0.0436978 0.6223405), wk = 0.0011574 k( 92) = ( 0.0833333 0.0436978 0.7853979), wk = 0.0011574 k( 93) = ( 0.0833333 0.0436978 -1.0082337), wk = 0.0011574 k( 94) = ( 0.0833333 0.0436978 -0.8451763), wk = 0.0011574 k( 95) = ( 0.0833333 0.0436978 -0.6821189), wk = 0.0011574 k( 96) = ( 0.0833333 0.0436978 -0.5190614), wk = 0.0011574 k( 97) = ( 0.0833333 0.0436978 -0.3560040), wk = 0.0011574 k( 98) = ( 0.0833333 0.0436978 -0.1929466), wk = 0.0011574 k( 99) = ( 0.0833333 0.1956625 0.0292248), wk = 0.0011574 k( 100) = ( 0.0833333 0.1956625 0.1922822), wk = 0.0011574 k( 101) = ( 0.0833333 0.1956625 0.3553397), wk = 0.0011574 k( 102) = ( 0.0833333 0.1956625 0.5183971), wk = 0.0011574 k( 103) = ( 0.0833333 0.1956625 0.6814545), wk = 0.0011574 k( 104) = ( 0.0833333 0.1956625 0.8445119), wk = 0.0011574 k( 105) = ( 0.0833333 0.1956625 -0.9491197), wk = 0.0011574 k( 106) = ( 0.0833333 0.1956625 -0.7860623), wk = 0.0011574 k( 107) = ( 0.0833333 0.1956625 -0.6230049), wk = 0.0011574 k( 108) = ( 0.0833333 0.1956625 -0.4599474), wk = 0.0011574 k( 109) = ( 0.0833333 0.1956625 -0.2968900), wk = 0.0011574 k( 110) = ( 0.0833333 0.1956625 -0.1338326), wk = 0.0011574 k( 111) = ( 0.0833333 0.3476271 0.0883388), wk = 0.0011574 k( 112) = ( 0.0833333 0.3476271 0.2513962), wk = 0.0011574 k( 113) = ( 0.0833333 0.3476271 0.4144537), wk = 0.0011574 k( 114) = ( 0.0833333 0.3476271 0.5775111), wk = 0.0011574 k( 115) = ( 0.0833333 0.3476271 0.7405685), wk = 0.0011574 k( 116) = ( 0.0833333 0.3476271 0.9036259), wk = 0.0011574 k( 117) = ( 0.0833333 0.3476271 -0.8900057), wk = 0.0011574 k( 118) = ( 0.0833333 0.3476271 -0.7269483), wk = 0.0011574 k( 119) = ( 0.0833333 0.3476271 -0.5638909), wk = 0.0011574 k( 120) = ( 0.0833333 0.3476271 -0.4008334), wk = 0.0011574 k( 121) = ( 0.0833333 0.3476271 -0.2377760), wk = 0.0011574 k( 122) = ( 0.0833333 0.3476271 -0.0747186), wk = 0.0011574 k( 123) = ( 0.0833333 0.4995918 0.1474528), wk = 0.0011574 k( 124) = ( 0.0833333 0.4995918 0.3105102), wk = 0.0011574 k( 125) = ( 0.0833333 0.4995918 0.4735677), wk = 0.0011574 k( 126) = ( 0.0833333 0.4995918 0.6366251), wk = 0.0011574 k( 127) = ( 0.0833333 0.4995918 0.7996825), wk = 0.0011574 k( 128) = ( 0.0833333 0.4995918 0.9627399), wk = 0.0011574 k( 129) = ( 0.0833333 0.4995918 -0.8308917), wk = 0.0011574 k( 130) = ( 0.0833333 0.4995918 -0.6678343), wk = 0.0011574 k( 131) = ( 0.0833333 0.4995918 -0.5047769), wk = 0.0011574 k( 132) = ( 0.0833333 0.4995918 -0.3417195), wk = 0.0011574 k( 133) = ( 0.0833333 0.4995918 -0.1786620), wk = 0.0011574 k( 134) = ( 0.0833333 0.4995918 -0.0156046), wk = 0.0011574 k( 135) = ( 0.0833333 0.6515564 0.2065668), wk = 0.0011574 k( 136) = ( 0.0833333 0.6515564 0.3696242), wk = 0.0011574 k( 137) = ( 0.0833333 0.6515564 0.5326816), wk = 0.0011574 k( 138) = ( 0.0833333 0.6515564 0.6957391), wk = 0.0011574 k( 139) = ( 0.0833333 0.6515564 0.8587965), wk = 0.0011574 k( 140) = ( 0.0833333 0.6515564 1.0218539), wk = 0.0011574 k( 141) = ( 0.0833333 0.6515564 -0.7717777), wk = 0.0011574 k( 142) = ( 0.0833333 0.6515564 -0.6087203), wk = 0.0011574 k( 143) = ( 0.0833333 0.6515564 -0.4456629), wk = 0.0011574 k( 144) = ( 0.0833333 0.6515564 -0.2826055), wk = 0.0011574 k( 145) = ( 0.0833333 0.6515564 -0.1195480), wk = 0.0011574 k( 146) = ( 0.0833333 0.6515564 0.0435094), wk = 0.0011574 k( 147) = ( 0.0833333 -1.0200548 -0.4436872), wk = 0.0011574 k( 148) = ( 0.0833333 -1.0200548 -0.2806297), wk = 0.0011574 k( 149) = ( 0.0833333 -1.0200548 -0.1175723), wk = 0.0011574 k( 150) = ( 0.0833333 -1.0200548 0.0454851), wk = 0.0011574 k( 151) = ( 0.0833333 -1.0200548 0.2085425), wk = 0.0011574 k( 152) = ( 0.0833333 -1.0200548 0.3715999), wk = 0.0011574 k( 153) = ( 0.0833333 -1.0200548 -1.4220317), wk = 0.0011574 k( 154) = ( 0.0833333 -1.0200548 -1.2589743), wk = 0.0011574 k( 155) = ( 0.0833333 -1.0200548 -1.0959168), wk = 0.0011574 k( 156) = ( 0.0833333 -1.0200548 -0.9328594), wk = 0.0011574 k( 157) = ( 0.0833333 -1.0200548 -0.7698020), wk = 0.0011574 k( 158) = ( 0.0833333 -1.0200548 -0.6067446), wk = 0.0011574 k( 159) = ( 0.0833333 -0.8680902 -0.3845732), wk = 0.0011574 k( 160) = ( 0.0833333 -0.8680902 -0.2215157), wk = 0.0011574 k( 161) = ( 0.0833333 -0.8680902 -0.0584583), wk = 0.0011574 k( 162) = ( 0.0833333 -0.8680902 0.1045991), wk = 0.0011574 k( 163) = ( 0.0833333 -0.8680902 0.2676565), wk = 0.0011574 k( 164) = ( 0.0833333 -0.8680902 0.4307139), wk = 0.0011574 k( 165) = ( 0.0833333 -0.8680902 -1.3629177), wk = 0.0011574 k( 166) = ( 0.0833333 -0.8680902 -1.1998603), wk = 0.0011574 k( 167) = ( 0.0833333 -0.8680902 -1.0368028), wk = 0.0011574 k( 168) = ( 0.0833333 -0.8680902 -0.8737454), wk = 0.0011574 k( 169) = ( 0.0833333 -0.8680902 -0.7106880), wk = 0.0011574 k( 170) = ( 0.0833333 -0.8680902 -0.5476306), wk = 0.0011574 k( 171) = ( 0.0833333 -0.7161255 -0.3254592), wk = 0.0011574 k( 172) = ( 0.0833333 -0.7161255 -0.1624017), wk = 0.0011574 k( 173) = ( 0.0833333 -0.7161255 0.0006557), wk = 0.0011574 k( 174) = ( 0.0833333 -0.7161255 0.1637131), wk = 0.0011574 k( 175) = ( 0.0833333 -0.7161255 0.3267705), wk = 0.0011574 k( 176) = ( 0.0833333 -0.7161255 0.4898279), wk = 0.0011574 k( 177) = ( 0.0833333 -0.7161255 -1.3038037), wk = 0.0011574 k( 178) = ( 0.0833333 -0.7161255 -1.1407463), wk = 0.0011574 k( 179) = ( 0.0833333 -0.7161255 -0.9776888), wk = 0.0011574 k( 180) = ( 0.0833333 -0.7161255 -0.8146314), wk = 0.0011574 k( 181) = ( 0.0833333 -0.7161255 -0.6515740), wk = 0.0011574 k( 182) = ( 0.0833333 -0.7161255 -0.4885166), wk = 0.0011574 k( 183) = ( 0.0833333 -0.5641608 -0.2663452), wk = 0.0011574 k( 184) = ( 0.0833333 -0.5641608 -0.1032877), wk = 0.0011574 k( 185) = ( 0.0833333 -0.5641608 0.0597697), wk = 0.0011574 k( 186) = ( 0.0833333 -0.5641608 0.2228271), wk = 0.0011574 k( 187) = ( 0.0833333 -0.5641608 0.3858845), wk = 0.0011574 k( 188) = ( 0.0833333 -0.5641608 0.5489419), wk = 0.0011574 k( 189) = ( 0.0833333 -0.5641608 -1.2446897), wk = 0.0011574 k( 190) = ( 0.0833333 -0.5641608 -1.0816323), wk = 0.0011574 k( 191) = ( 0.0833333 -0.5641608 -0.9185749), wk = 0.0011574 k( 192) = ( 0.0833333 -0.5641608 -0.7555174), wk = 0.0011574 k( 193) = ( 0.0833333 -0.5641608 -0.5924600), wk = 0.0011574 k( 194) = ( 0.0833333 -0.5641608 -0.4294026), wk = 0.0011574 k( 195) = ( 0.0833333 -0.4121962 -0.2072312), wk = 0.0011574 k( 196) = ( 0.0833333 -0.4121962 -0.0441738), wk = 0.0011574 k( 197) = ( 0.0833333 -0.4121962 0.1188837), wk = 0.0011574 k( 198) = ( 0.0833333 -0.4121962 0.2819411), wk = 0.0011574 k( 199) = ( 0.0833333 -0.4121962 0.4449985), wk = 0.0011574 k( 200) = ( 0.0833333 -0.4121962 0.6080559), wk = 0.0011574 k( 201) = ( 0.0833333 -0.4121962 -1.1855757), wk = 0.0011574 k( 202) = ( 0.0833333 -0.4121962 -1.0225183), wk = 0.0011574 k( 203) = ( 0.0833333 -0.4121962 -0.8594609), wk = 0.0011574 k( 204) = ( 0.0833333 -0.4121962 -0.6964034), wk = 0.0011574 k( 205) = ( 0.0833333 -0.4121962 -0.5333460), wk = 0.0011574 k( 206) = ( 0.0833333 -0.4121962 -0.3702886), wk = 0.0011574 k( 207) = ( 0.0833333 -0.2602315 -0.1481172), wk = 0.0011574 k( 208) = ( 0.0833333 -0.2602315 0.0149402), wk = 0.0011574 k( 209) = ( 0.0833333 -0.2602315 0.1779977), wk = 0.0011574 k( 210) = ( 0.0833333 -0.2602315 0.3410551), wk = 0.0011574 k( 211) = ( 0.0833333 -0.2602315 0.5041125), wk = 0.0011574 k( 212) = ( 0.0833333 -0.2602315 0.6671699), wk = 0.0011574 k( 213) = ( 0.0833333 -0.2602315 -1.1264617), wk = 0.0011574 k( 214) = ( 0.0833333 -0.2602315 -0.9634043), wk = 0.0011574 k( 215) = ( 0.0833333 -0.2602315 -0.8003469), wk = 0.0011574 k( 216) = ( 0.0833333 -0.2602315 -0.6372894), wk = 0.0011574 k( 217) = ( 0.0833333 -0.2602315 -0.4742320), wk = 0.0011574 k( 218) = ( 0.0833333 -0.2602315 -0.3111746), wk = 0.0011574 k( 219) = ( 0.1666667 -0.2165337 -0.1780064), wk = 0.0011574 k( 220) = ( 0.1666667 -0.2165337 -0.0149489), wk = 0.0011574 k( 221) = ( 0.1666667 -0.2165337 0.1481085), wk = 0.0011574 k( 222) = ( 0.1666667 -0.2165337 0.3111659), wk = 0.0011574 k( 223) = ( 0.1666667 -0.2165337 0.4742233), wk = 0.0011574 k( 224) = ( 0.1666667 -0.2165337 0.6372807), wk = 0.0011574 k( 225) = ( 0.1666667 -0.2165337 -1.1563509), wk = 0.0011574 k( 226) = ( 0.1666667 -0.2165337 -0.9932935), wk = 0.0011574 k( 227) = ( 0.1666667 -0.2165337 -0.8302360), wk = 0.0011574 k( 228) = ( 0.1666667 -0.2165337 -0.6671786), wk = 0.0011574 k( 229) = ( 0.1666667 -0.2165337 -0.5041212), wk = 0.0011574 k( 230) = ( 0.1666667 -0.2165337 -0.3410638), wk = 0.0011574 k( 231) = ( 0.1666667 -0.0645691 -0.1188924), wk = 0.0011574 k( 232) = ( 0.1666667 -0.0645691 0.0441651), wk = 0.0011574 k( 233) = ( 0.1666667 -0.0645691 0.2072225), wk = 0.0011574 k( 234) = ( 0.1666667 -0.0645691 0.3702799), wk = 0.0011574 k( 235) = ( 0.1666667 -0.0645691 0.5333373), wk = 0.0011574 k( 236) = ( 0.1666667 -0.0645691 0.6963947), wk = 0.0011574 k( 237) = ( 0.1666667 -0.0645691 -1.0972369), wk = 0.0011574 k( 238) = ( 0.1666667 -0.0645691 -0.9341795), wk = 0.0011574 k( 239) = ( 0.1666667 -0.0645691 -0.7711220), wk = 0.0011574 k( 240) = ( 0.1666667 -0.0645691 -0.6080646), wk = 0.0011574 k( 241) = ( 0.1666667 -0.0645691 -0.4450072), wk = 0.0011574 k( 242) = ( 0.1666667 -0.0645691 -0.2819498), wk = 0.0011574 k( 243) = ( 0.1666667 0.0873956 -0.0597784), wk = 0.0011574 k( 244) = ( 0.1666667 0.0873956 0.1032791), wk = 0.0011574 k( 245) = ( 0.1666667 0.0873956 0.2663365), wk = 0.0011574 k( 246) = ( 0.1666667 0.0873956 0.4293939), wk = 0.0011574 k( 247) = ( 0.1666667 0.0873956 0.5924513), wk = 0.0011574 k( 248) = ( 0.1666667 0.0873956 0.7555087), wk = 0.0011574 k( 249) = ( 0.1666667 0.0873956 -1.0381229), wk = 0.0011574 k( 250) = ( 0.1666667 0.0873956 -0.8750655), wk = 0.0011574 k( 251) = ( 0.1666667 0.0873956 -0.7120080), wk = 0.0011574 k( 252) = ( 0.1666667 0.0873956 -0.5489506), wk = 0.0011574 k( 253) = ( 0.1666667 0.0873956 -0.3858932), wk = 0.0011574 k( 254) = ( 0.1666667 0.0873956 -0.2228358), wk = 0.0011574 k( 255) = ( 0.1666667 0.2393603 -0.0006644), wk = 0.0011574 k( 256) = ( 0.1666667 0.2393603 0.1623931), wk = 0.0011574 k( 257) = ( 0.1666667 0.2393603 0.3254505), wk = 0.0011574 k( 258) = ( 0.1666667 0.2393603 0.4885079), wk = 0.0011574 k( 259) = ( 0.1666667 0.2393603 0.6515653), wk = 0.0011574 k( 260) = ( 0.1666667 0.2393603 0.8146227), wk = 0.0011574 k( 261) = ( 0.1666667 0.2393603 -0.9790089), wk = 0.0011574 k( 262) = ( 0.1666667 0.2393603 -0.8159515), wk = 0.0011574 k( 263) = ( 0.1666667 0.2393603 -0.6528940), wk = 0.0011574 k( 264) = ( 0.1666667 0.2393603 -0.4898366), wk = 0.0011574 k( 265) = ( 0.1666667 0.2393603 -0.3267792), wk = 0.0011574 k( 266) = ( 0.1666667 0.2393603 -0.1637218), wk = 0.0011574 k( 267) = ( 0.1666667 0.3913249 0.0584496), wk = 0.0011574 k( 268) = ( 0.1666667 0.3913249 0.2215071), wk = 0.0011574 k( 269) = ( 0.1666667 0.3913249 0.3845645), wk = 0.0011574 k( 270) = ( 0.1666667 0.3913249 0.5476219), wk = 0.0011574 k( 271) = ( 0.1666667 0.3913249 0.7106793), wk = 0.0011574 k( 272) = ( 0.1666667 0.3913249 0.8737367), wk = 0.0011574 k( 273) = ( 0.1666667 0.3913249 -0.9198949), wk = 0.0011574 k( 274) = ( 0.1666667 0.3913249 -0.7568375), wk = 0.0011574 k( 275) = ( 0.1666667 0.3913249 -0.5937800), wk = 0.0011574 k( 276) = ( 0.1666667 0.3913249 -0.4307226), wk = 0.0011574 k( 277) = ( 0.1666667 0.3913249 -0.2676652), wk = 0.0011574 k( 278) = ( 0.1666667 0.3913249 -0.1046078), wk = 0.0011574 k( 279) = ( 0.1666667 0.5432896 0.1175636), wk = 0.0011574 k( 280) = ( 0.1666667 0.5432896 0.2806210), wk = 0.0011574 k( 281) = ( 0.1666667 0.5432896 0.4436785), wk = 0.0011574 k( 282) = ( 0.1666667 0.5432896 0.6067359), wk = 0.0011574 k( 283) = ( 0.1666667 0.5432896 0.7697933), wk = 0.0011574 k( 284) = ( 0.1666667 0.5432896 0.9328507), wk = 0.0011574 k( 285) = ( 0.1666667 0.5432896 -0.8607809), wk = 0.0011574 k( 286) = ( 0.1666667 0.5432896 -0.6977235), wk = 0.0011574 k( 287) = ( 0.1666667 0.5432896 -0.5346661), wk = 0.0011574 k( 288) = ( 0.1666667 0.5432896 -0.3716086), wk = 0.0011574 k( 289) = ( 0.1666667 0.5432896 -0.2085512), wk = 0.0011574 k( 290) = ( 0.1666667 0.5432896 -0.0454938), wk = 0.0011574 k( 291) = ( 0.1666667 -1.1283217 -0.5326903), wk = 0.0011574 k( 292) = ( 0.1666667 -1.1283217 -0.3696329), wk = 0.0011574 k( 293) = ( 0.1666667 -1.1283217 -0.2065755), wk = 0.0011574 k( 294) = ( 0.1666667 -1.1283217 -0.0435181), wk = 0.0011574 k( 295) = ( 0.1666667 -1.1283217 0.1195393), wk = 0.0011574 k( 296) = ( 0.1666667 -1.1283217 0.2825968), wk = 0.0011574 k( 297) = ( 0.1666667 -1.1283217 -1.5110349), wk = 0.0011574 k( 298) = ( 0.1666667 -1.1283217 -1.3479774), wk = 0.0011574 k( 299) = ( 0.1666667 -1.1283217 -1.1849200), wk = 0.0011574 k( 300) = ( 0.1666667 -1.1283217 -1.0218626), wk = 0.0011574 k( 301) = ( 0.1666667 -1.1283217 -0.8588052), wk = 0.0011574 k( 302) = ( 0.1666667 -1.1283217 -0.6957478), wk = 0.0011574 k( 303) = ( 0.1666667 -0.9763570 -0.4735763), wk = 0.0011574 k( 304) = ( 0.1666667 -0.9763570 -0.3105189), wk = 0.0011574 k( 305) = ( 0.1666667 -0.9763570 -0.1474615), wk = 0.0011574 k( 306) = ( 0.1666667 -0.9763570 0.0155959), wk = 0.0011574 k( 307) = ( 0.1666667 -0.9763570 0.1786533), wk = 0.0011574 k( 308) = ( 0.1666667 -0.9763570 0.3417108), wk = 0.0011574 k( 309) = ( 0.1666667 -0.9763570 -1.4519209), wk = 0.0011574 k( 310) = ( 0.1666667 -0.9763570 -1.2888634), wk = 0.0011574 k( 311) = ( 0.1666667 -0.9763570 -1.1258060), wk = 0.0011574 k( 312) = ( 0.1666667 -0.9763570 -0.9627486), wk = 0.0011574 k( 313) = ( 0.1666667 -0.9763570 -0.7996912), wk = 0.0011574 k( 314) = ( 0.1666667 -0.9763570 -0.6366338), wk = 0.0011574 k( 315) = ( 0.1666667 -0.8243923 -0.4144623), wk = 0.0011574 k( 316) = ( 0.1666667 -0.8243923 -0.2514049), wk = 0.0011574 k( 317) = ( 0.1666667 -0.8243923 -0.0883475), wk = 0.0011574 k( 318) = ( 0.1666667 -0.8243923 0.0747099), wk = 0.0011574 k( 319) = ( 0.1666667 -0.8243923 0.2377673), wk = 0.0011574 k( 320) = ( 0.1666667 -0.8243923 0.4008248), wk = 0.0011574 k( 321) = ( 0.1666667 -0.8243923 -1.3928069), wk = 0.0011574 k( 322) = ( 0.1666667 -0.8243923 -1.2297494), wk = 0.0011574 k( 323) = ( 0.1666667 -0.8243923 -1.0666920), wk = 0.0011574 k( 324) = ( 0.1666667 -0.8243923 -0.9036346), wk = 0.0011574 k( 325) = ( 0.1666667 -0.8243923 -0.7405772), wk = 0.0011574 k( 326) = ( 0.1666667 -0.8243923 -0.5775198), wk = 0.0011574 k( 327) = ( 0.1666667 -0.6724277 -0.3553483), wk = 0.0011574 k( 328) = ( 0.1666667 -0.6724277 -0.1922909), wk = 0.0011574 k( 329) = ( 0.1666667 -0.6724277 -0.0292335), wk = 0.0011574 k( 330) = ( 0.1666667 -0.6724277 0.1338239), wk = 0.0011574 k( 331) = ( 0.1666667 -0.6724277 0.2968813), wk = 0.0011574 k( 332) = ( 0.1666667 -0.6724277 0.4599388), wk = 0.0011574 k( 333) = ( 0.1666667 -0.6724277 -1.3336929), wk = 0.0011574 k( 334) = ( 0.1666667 -0.6724277 -1.1706355), wk = 0.0011574 k( 335) = ( 0.1666667 -0.6724277 -1.0075780), wk = 0.0011574 k( 336) = ( 0.1666667 -0.6724277 -0.8445206), wk = 0.0011574 k( 337) = ( 0.1666667 -0.6724277 -0.6814632), wk = 0.0011574 k( 338) = ( 0.1666667 -0.6724277 -0.5184058), wk = 0.0011574 k( 339) = ( 0.1666667 -0.5204630 -0.2962344), wk = 0.0011574 k( 340) = ( 0.1666667 -0.5204630 -0.1331769), wk = 0.0011574 k( 341) = ( 0.1666667 -0.5204630 0.0298805), wk = 0.0011574 k( 342) = ( 0.1666667 -0.5204630 0.1929379), wk = 0.0011574 k( 343) = ( 0.1666667 -0.5204630 0.3559953), wk = 0.0011574 k( 344) = ( 0.1666667 -0.5204630 0.5190528), wk = 0.0011574 k( 345) = ( 0.1666667 -0.5204630 -1.2745789), wk = 0.0011574 k( 346) = ( 0.1666667 -0.5204630 -1.1115215), wk = 0.0011574 k( 347) = ( 0.1666667 -0.5204630 -0.9484640), wk = 0.0011574 k( 348) = ( 0.1666667 -0.5204630 -0.7854066), wk = 0.0011574 k( 349) = ( 0.1666667 -0.5204630 -0.6223492), wk = 0.0011574 k( 350) = ( 0.1666667 -0.5204630 -0.4592918), wk = 0.0011574 k( 351) = ( 0.1666667 -0.3684984 -0.2371204), wk = 0.0011574 k( 352) = ( 0.1666667 -0.3684984 -0.0740629), wk = 0.0011574 k( 353) = ( 0.1666667 -0.3684984 0.0889945), wk = 0.0011574 k( 354) = ( 0.1666667 -0.3684984 0.2520519), wk = 0.0011574 k( 355) = ( 0.1666667 -0.3684984 0.4151093), wk = 0.0011574 k( 356) = ( 0.1666667 -0.3684984 0.5781667), wk = 0.0011574 k( 357) = ( 0.1666667 -0.3684984 -1.2154649), wk = 0.0011574 k( 358) = ( 0.1666667 -0.3684984 -1.0524075), wk = 0.0011574 k( 359) = ( 0.1666667 -0.3684984 -0.8893500), wk = 0.0011574 k( 360) = ( 0.1666667 -0.3684984 -0.7262926), wk = 0.0011574 k( 361) = ( 0.1666667 -0.3684984 -0.5632352), wk = 0.0011574 k( 362) = ( 0.1666667 -0.3684984 -0.4001778), wk = 0.0011574 k( 363) = ( 0.2500000 -0.3248006 -0.2670095), wk = 0.0011574 k( 364) = ( 0.2500000 -0.3248006 -0.1039521), wk = 0.0011574 k( 365) = ( 0.2500000 -0.3248006 0.0591053), wk = 0.0011574 k( 366) = ( 0.2500000 -0.3248006 0.2221627), wk = 0.0011574 k( 367) = ( 0.2500000 -0.3248006 0.3852201), wk = 0.0011574 k( 368) = ( 0.2500000 -0.3248006 0.5482776), wk = 0.0011574 k( 369) = ( 0.2500000 -0.3248006 -1.2453541), wk = 0.0011574 k( 370) = ( 0.2500000 -0.3248006 -1.0822966), wk = 0.0011574 k( 371) = ( 0.2500000 -0.3248006 -0.9192392), wk = 0.0011574 k( 372) = ( 0.2500000 -0.3248006 -0.7561818), wk = 0.0011574 k( 373) = ( 0.2500000 -0.3248006 -0.5931244), wk = 0.0011574 k( 374) = ( 0.2500000 -0.3248006 -0.4300670), wk = 0.0011574 k( 375) = ( 0.2500000 -0.1728359 -0.2078955), wk = 0.0011574 k( 376) = ( 0.2500000 -0.1728359 -0.0448381), wk = 0.0011574 k( 377) = ( 0.2500000 -0.1728359 0.1182193), wk = 0.0011574 k( 378) = ( 0.2500000 -0.1728359 0.2812767), wk = 0.0011574 k( 379) = ( 0.2500000 -0.1728359 0.4443341), wk = 0.0011574 k( 380) = ( 0.2500000 -0.1728359 0.6073916), wk = 0.0011574 k( 381) = ( 0.2500000 -0.1728359 -1.1862401), wk = 0.0011574 k( 382) = ( 0.2500000 -0.1728359 -1.0231826), wk = 0.0011574 k( 383) = ( 0.2500000 -0.1728359 -0.8601252), wk = 0.0011574 k( 384) = ( 0.2500000 -0.1728359 -0.6970678), wk = 0.0011574 k( 385) = ( 0.2500000 -0.1728359 -0.5340104), wk = 0.0011574 k( 386) = ( 0.2500000 -0.1728359 -0.3709530), wk = 0.0011574 k( 387) = ( 0.2500000 -0.0208712 -0.1487815), wk = 0.0011574 k( 388) = ( 0.2500000 -0.0208712 0.0142759), wk = 0.0011574 k( 389) = ( 0.2500000 -0.0208712 0.1773333), wk = 0.0011574 k( 390) = ( 0.2500000 -0.0208712 0.3403907), wk = 0.0011574 k( 391) = ( 0.2500000 -0.0208712 0.5034481), wk = 0.0011574 k( 392) = ( 0.2500000 -0.0208712 0.6665056), wk = 0.0011574 k( 393) = ( 0.2500000 -0.0208712 -1.1271261), wk = 0.0011574 k( 394) = ( 0.2500000 -0.0208712 -0.9640686), wk = 0.0011574 k( 395) = ( 0.2500000 -0.0208712 -0.8010112), wk = 0.0011574 k( 396) = ( 0.2500000 -0.0208712 -0.6379538), wk = 0.0011574 k( 397) = ( 0.2500000 -0.0208712 -0.4748964), wk = 0.0011574 k( 398) = ( 0.2500000 -0.0208712 -0.3118390), wk = 0.0011574 k( 399) = ( 0.2500000 0.1310934 -0.0896675), wk = 0.0011574 k( 400) = ( 0.2500000 0.1310934 0.0733899), wk = 0.0011574 k( 401) = ( 0.2500000 0.1310934 0.2364473), wk = 0.0011574 k( 402) = ( 0.2500000 0.1310934 0.3995047), wk = 0.0011574 k( 403) = ( 0.2500000 0.1310934 0.5625621), wk = 0.0011574 k( 404) = ( 0.2500000 0.1310934 0.7256196), wk = 0.0011574 k( 405) = ( 0.2500000 0.1310934 -1.0680121), wk = 0.0011574 k( 406) = ( 0.2500000 0.1310934 -0.9049546), wk = 0.0011574 k( 407) = ( 0.2500000 0.1310934 -0.7418972), wk = 0.0011574 k( 408) = ( 0.2500000 0.1310934 -0.5788398), wk = 0.0011574 k( 409) = ( 0.2500000 0.1310934 -0.4157824), wk = 0.0011574 k( 410) = ( 0.2500000 0.1310934 -0.2527250), wk = 0.0011574 k( 411) = ( 0.2500000 0.2830581 -0.0305535), wk = 0.0011574 k( 412) = ( 0.2500000 0.2830581 0.1325039), wk = 0.0011574 k( 413) = ( 0.2500000 0.2830581 0.2955613), wk = 0.0011574 k( 414) = ( 0.2500000 0.2830581 0.4586187), wk = 0.0011574 k( 415) = ( 0.2500000 0.2830581 0.6216761), wk = 0.0011574 k( 416) = ( 0.2500000 0.2830581 0.7847336), wk = 0.0011574 k( 417) = ( 0.2500000 0.2830581 -1.0088981), wk = 0.0011574 k( 418) = ( 0.2500000 0.2830581 -0.8458406), wk = 0.0011574 k( 419) = ( 0.2500000 0.2830581 -0.6827832), wk = 0.0011574 k( 420) = ( 0.2500000 0.2830581 -0.5197258), wk = 0.0011574 k( 421) = ( 0.2500000 0.2830581 -0.3566684), wk = 0.0011574 k( 422) = ( 0.2500000 0.2830581 -0.1936110), wk = 0.0011574 k( 423) = ( 0.2500000 0.4350227 0.0285605), wk = 0.0011574 k( 424) = ( 0.2500000 0.4350227 0.1916179), wk = 0.0011574 k( 425) = ( 0.2500000 0.4350227 0.3546753), wk = 0.0011574 k( 426) = ( 0.2500000 0.4350227 0.5177327), wk = 0.0011574 k( 427) = ( 0.2500000 0.4350227 0.6807901), wk = 0.0011574 k( 428) = ( 0.2500000 0.4350227 0.8438476), wk = 0.0011574 k( 429) = ( 0.2500000 0.4350227 -0.9497841), wk = 0.0011574 k( 430) = ( 0.2500000 0.4350227 -0.7867267), wk = 0.0011574 k( 431) = ( 0.2500000 0.4350227 -0.6236692), wk = 0.0011574 k( 432) = ( 0.2500000 0.4350227 -0.4606118), wk = 0.0011574 k( 433) = ( 0.2500000 0.4350227 -0.2975544), wk = 0.0011574 k( 434) = ( 0.2500000 0.4350227 -0.1344970), wk = 0.0011574 k( 435) = ( 0.2500000 -1.2365885 -0.6216935), wk = 0.0011574 k( 436) = ( 0.2500000 -1.2365885 -0.4586361), wk = 0.0011574 k( 437) = ( 0.2500000 -1.2365885 -0.2955787), wk = 0.0011574 k( 438) = ( 0.2500000 -1.2365885 -0.1325213), wk = 0.0011574 k( 439) = ( 0.2500000 -1.2365885 0.0305362), wk = 0.0011574 k( 440) = ( 0.2500000 -1.2365885 0.1935936), wk = 0.0011574 k( 441) = ( 0.2500000 -1.2365885 -1.6000380), wk = 0.0011574 k( 442) = ( 0.2500000 -1.2365885 -1.4369806), wk = 0.0011574 k( 443) = ( 0.2500000 -1.2365885 -1.2739232), wk = 0.0011574 k( 444) = ( 0.2500000 -1.2365885 -1.1108658), wk = 0.0011574 k( 445) = ( 0.2500000 -1.2365885 -0.9478084), wk = 0.0011574 k( 446) = ( 0.2500000 -1.2365885 -0.7847509), wk = 0.0011574 k( 447) = ( 0.2500000 -1.0846239 -0.5625795), wk = 0.0011574 k( 448) = ( 0.2500000 -1.0846239 -0.3995221), wk = 0.0011574 k( 449) = ( 0.2500000 -1.0846239 -0.2364647), wk = 0.0011574 k( 450) = ( 0.2500000 -1.0846239 -0.0734073), wk = 0.0011574 k( 451) = ( 0.2500000 -1.0846239 0.0896502), wk = 0.0011574 k( 452) = ( 0.2500000 -1.0846239 0.2527076), wk = 0.0011574 k( 453) = ( 0.2500000 -1.0846239 -1.5409240), wk = 0.0011574 k( 454) = ( 0.2500000 -1.0846239 -1.3778666), wk = 0.0011574 k( 455) = ( 0.2500000 -1.0846239 -1.2148092), wk = 0.0011574 k( 456) = ( 0.2500000 -1.0846239 -1.0517518), wk = 0.0011574 k( 457) = ( 0.2500000 -1.0846239 -0.8886944), wk = 0.0011574 k( 458) = ( 0.2500000 -1.0846239 -0.7256369), wk = 0.0011574 k( 459) = ( 0.2500000 -0.9326592 -0.5034655), wk = 0.0011574 k( 460) = ( 0.2500000 -0.9326592 -0.3404081), wk = 0.0011574 k( 461) = ( 0.2500000 -0.9326592 -0.1773507), wk = 0.0011574 k( 462) = ( 0.2500000 -0.9326592 -0.0142933), wk = 0.0011574 k( 463) = ( 0.2500000 -0.9326592 0.1487642), wk = 0.0011574 k( 464) = ( 0.2500000 -0.9326592 0.3118216), wk = 0.0011574 k( 465) = ( 0.2500000 -0.9326592 -1.4818100), wk = 0.0011574 k( 466) = ( 0.2500000 -0.9326592 -1.3187526), wk = 0.0011574 k( 467) = ( 0.2500000 -0.9326592 -1.1556952), wk = 0.0011574 k( 468) = ( 0.2500000 -0.9326592 -0.9926378), wk = 0.0011574 k( 469) = ( 0.2500000 -0.9326592 -0.8295804), wk = 0.0011574 k( 470) = ( 0.2500000 -0.9326592 -0.6665229), wk = 0.0011574 k( 471) = ( 0.2500000 -0.7806945 -0.4443515), wk = 0.0011574 k( 472) = ( 0.2500000 -0.7806945 -0.2812941), wk = 0.0011574 k( 473) = ( 0.2500000 -0.7806945 -0.1182367), wk = 0.0011574 k( 474) = ( 0.2500000 -0.7806945 0.0448207), wk = 0.0011574 k( 475) = ( 0.2500000 -0.7806945 0.2078782), wk = 0.0011574 k( 476) = ( 0.2500000 -0.7806945 0.3709356), wk = 0.0011574 k( 477) = ( 0.2500000 -0.7806945 -1.4226960), wk = 0.0011574 k( 478) = ( 0.2500000 -0.7806945 -1.2596386), wk = 0.0011574 k( 479) = ( 0.2500000 -0.7806945 -1.0965812), wk = 0.0011574 k( 480) = ( 0.2500000 -0.7806945 -0.9335238), wk = 0.0011574 k( 481) = ( 0.2500000 -0.7806945 -0.7704664), wk = 0.0011574 k( 482) = ( 0.2500000 -0.7806945 -0.6074089), wk = 0.0011574 k( 483) = ( 0.2500000 -0.6287299 -0.3852375), wk = 0.0011574 k( 484) = ( 0.2500000 -0.6287299 -0.2221801), wk = 0.0011574 k( 485) = ( 0.2500000 -0.6287299 -0.0591227), wk = 0.0011574 k( 486) = ( 0.2500000 -0.6287299 0.1039347), wk = 0.0011574 k( 487) = ( 0.2500000 -0.6287299 0.2669922), wk = 0.0011574 k( 488) = ( 0.2500000 -0.6287299 0.4300496), wk = 0.0011574 k( 489) = ( 0.2500000 -0.6287299 -1.3635821), wk = 0.0011574 k( 490) = ( 0.2500000 -0.6287299 -1.2005246), wk = 0.0011574 k( 491) = ( 0.2500000 -0.6287299 -1.0374672), wk = 0.0011574 k( 492) = ( 0.2500000 -0.6287299 -0.8744098), wk = 0.0011574 k( 493) = ( 0.2500000 -0.6287299 -0.7113524), wk = 0.0011574 k( 494) = ( 0.2500000 -0.6287299 -0.5482950), wk = 0.0011574 k( 495) = ( 0.2500000 -0.4767652 -0.3261235), wk = 0.0011574 k( 496) = ( 0.2500000 -0.4767652 -0.1630661), wk = 0.0011574 k( 497) = ( 0.2500000 -0.4767652 -0.0000087), wk = 0.0011574 k( 498) = ( 0.2500000 -0.4767652 0.1630487), wk = 0.0011574 k( 499) = ( 0.2500000 -0.4767652 0.3261061), wk = 0.0011574 k( 500) = ( 0.2500000 -0.4767652 0.4891636), wk = 0.0011574 k( 501) = ( 0.2500000 -0.4767652 -1.3044681), wk = 0.0011574 k( 502) = ( 0.2500000 -0.4767652 -1.1414106), wk = 0.0011574 k( 503) = ( 0.2500000 -0.4767652 -0.9783532), wk = 0.0011574 k( 504) = ( 0.2500000 -0.4767652 -0.8152958), wk = 0.0011574 k( 505) = ( 0.2500000 -0.4767652 -0.6522384), wk = 0.0011574 k( 506) = ( 0.2500000 -0.4767652 -0.4891810), wk = 0.0011574 k( 507) = ( 0.3333333 -0.4330674 -0.3560127), wk = 0.0011574 k( 508) = ( 0.3333333 -0.4330674 -0.1929553), wk = 0.0011574 k( 509) = ( 0.3333333 -0.4330674 -0.0298979), wk = 0.0011574 k( 510) = ( 0.3333333 -0.4330674 0.1331595), wk = 0.0011574 k( 511) = ( 0.3333333 -0.4330674 0.2962170), wk = 0.0011574 k( 512) = ( 0.3333333 -0.4330674 0.4592744), wk = 0.0011574 k( 513) = ( 0.3333333 -0.4330674 -1.3343572), wk = 0.0011574 k( 514) = ( 0.3333333 -0.4330674 -1.1712998), wk = 0.0011574 k( 515) = ( 0.3333333 -0.4330674 -1.0082424), wk = 0.0011574 k( 516) = ( 0.3333333 -0.4330674 -0.8451850), wk = 0.0011574 k( 517) = ( 0.3333333 -0.4330674 -0.6821276), wk = 0.0011574 k( 518) = ( 0.3333333 -0.4330674 -0.5190701), wk = 0.0011574 k( 519) = ( 0.3333333 -0.2811028 -0.2968987), wk = 0.0011574 k( 520) = ( 0.3333333 -0.2811028 -0.1338413), wk = 0.0011574 k( 521) = ( 0.3333333 -0.2811028 0.0292161), wk = 0.0011574 k( 522) = ( 0.3333333 -0.2811028 0.1922735), wk = 0.0011574 k( 523) = ( 0.3333333 -0.2811028 0.3553310), wk = 0.0011574 k( 524) = ( 0.3333333 -0.2811028 0.5183884), wk = 0.0011574 k( 525) = ( 0.3333333 -0.2811028 -1.2752432), wk = 0.0011574 k( 526) = ( 0.3333333 -0.2811028 -1.1121858), wk = 0.0011574 k( 527) = ( 0.3333333 -0.2811028 -0.9491284), wk = 0.0011574 k( 528) = ( 0.3333333 -0.2811028 -0.7860710), wk = 0.0011574 k( 529) = ( 0.3333333 -0.2811028 -0.6230136), wk = 0.0011574 k( 530) = ( 0.3333333 -0.2811028 -0.4599561), wk = 0.0011574 k( 531) = ( 0.3333333 -0.1291381 -0.2377847), wk = 0.0011574 k( 532) = ( 0.3333333 -0.1291381 -0.0747273), wk = 0.0011574 k( 533) = ( 0.3333333 -0.1291381 0.0883301), wk = 0.0011574 k( 534) = ( 0.3333333 -0.1291381 0.2513875), wk = 0.0011574 k( 535) = ( 0.3333333 -0.1291381 0.4144450), wk = 0.0011574 k( 536) = ( 0.3333333 -0.1291381 0.5775024), wk = 0.0011574 k( 537) = ( 0.3333333 -0.1291381 -1.2161292), wk = 0.0011574 k( 538) = ( 0.3333333 -0.1291381 -1.0530718), wk = 0.0011574 k( 539) = ( 0.3333333 -0.1291381 -0.8900144), wk = 0.0011574 k( 540) = ( 0.3333333 -0.1291381 -0.7269570), wk = 0.0011574 k( 541) = ( 0.3333333 -0.1291381 -0.5638996), wk = 0.0011574 k( 542) = ( 0.3333333 -0.1291381 -0.4008421), wk = 0.0011574 k( 543) = ( 0.3333333 0.0228266 -0.1786707), wk = 0.0011574 k( 544) = ( 0.3333333 0.0228266 -0.0156133), wk = 0.0011574 k( 545) = ( 0.3333333 0.0228266 0.1474441), wk = 0.0011574 k( 546) = ( 0.3333333 0.0228266 0.3105015), wk = 0.0011574 k( 547) = ( 0.3333333 0.0228266 0.4735590), wk = 0.0011574 k( 548) = ( 0.3333333 0.0228266 0.6366164), wk = 0.0011574 k( 549) = ( 0.3333333 0.0228266 -1.1570152), wk = 0.0011574 k( 550) = ( 0.3333333 0.0228266 -0.9939578), wk = 0.0011574 k( 551) = ( 0.3333333 0.0228266 -0.8309004), wk = 0.0011574 k( 552) = ( 0.3333333 0.0228266 -0.6678430), wk = 0.0011574 k( 553) = ( 0.3333333 0.0228266 -0.5047856), wk = 0.0011574 k( 554) = ( 0.3333333 0.0228266 -0.3417281), wk = 0.0011574 k( 555) = ( 0.3333333 0.1747912 -0.1195567), wk = 0.0011574 k( 556) = ( 0.3333333 0.1747912 0.0435007), wk = 0.0011574 k( 557) = ( 0.3333333 0.1747912 0.2065581), wk = 0.0011574 k( 558) = ( 0.3333333 0.1747912 0.3696155), wk = 0.0011574 k( 559) = ( 0.3333333 0.1747912 0.5326730), wk = 0.0011574 k( 560) = ( 0.3333333 0.1747912 0.6957304), wk = 0.0011574 k( 561) = ( 0.3333333 0.1747912 -1.0979012), wk = 0.0011574 k( 562) = ( 0.3333333 0.1747912 -0.9348438), wk = 0.0011574 k( 563) = ( 0.3333333 0.1747912 -0.7717864), wk = 0.0011574 k( 564) = ( 0.3333333 0.1747912 -0.6087290), wk = 0.0011574 k( 565) = ( 0.3333333 0.1747912 -0.4456716), wk = 0.0011574 k( 566) = ( 0.3333333 0.1747912 -0.2826141), wk = 0.0011574 k( 567) = ( 0.3333333 0.3267559 -0.0604427), wk = 0.0011574 k( 568) = ( 0.3333333 0.3267559 0.1026147), wk = 0.0011574 k( 569) = ( 0.3333333 0.3267559 0.2656721), wk = 0.0011574 k( 570) = ( 0.3333333 0.3267559 0.4287295), wk = 0.0011574 k( 571) = ( 0.3333333 0.3267559 0.5917870), wk = 0.0011574 k( 572) = ( 0.3333333 0.3267559 0.7548444), wk = 0.0011574 k( 573) = ( 0.3333333 0.3267559 -1.0387873), wk = 0.0011574 k( 574) = ( 0.3333333 0.3267559 -0.8757298), wk = 0.0011574 k( 575) = ( 0.3333333 0.3267559 -0.7126724), wk = 0.0011574 k( 576) = ( 0.3333333 0.3267559 -0.5496150), wk = 0.0011574 k( 577) = ( 0.3333333 0.3267559 -0.3865576), wk = 0.0011574 k( 578) = ( 0.3333333 0.3267559 -0.2235001), wk = 0.0011574 k( 579) = ( 0.3333333 -1.3448554 -0.7106967), wk = 0.0011574 k( 580) = ( 0.3333333 -1.3448554 -0.5476393), wk = 0.0011574 k( 581) = ( 0.3333333 -1.3448554 -0.3845819), wk = 0.0011574 k( 582) = ( 0.3333333 -1.3448554 -0.2215244), wk = 0.0011574 k( 583) = ( 0.3333333 -1.3448554 -0.0584670), wk = 0.0011574 k( 584) = ( 0.3333333 -1.3448554 0.1045904), wk = 0.0011574 k( 585) = ( 0.3333333 -1.3448554 -1.6890412), wk = 0.0011574 k( 586) = ( 0.3333333 -1.3448554 -1.5259838), wk = 0.0011574 k( 587) = ( 0.3333333 -1.3448554 -1.3629264), wk = 0.0011574 k( 588) = ( 0.3333333 -1.3448554 -1.1998690), wk = 0.0011574 k( 589) = ( 0.3333333 -1.3448554 -1.0368115), wk = 0.0011574 k( 590) = ( 0.3333333 -1.3448554 -0.8737541), wk = 0.0011574 k( 591) = ( 0.3333333 -1.1928907 -0.6515827), wk = 0.0011574 k( 592) = ( 0.3333333 -1.1928907 -0.4885253), wk = 0.0011574 k( 593) = ( 0.3333333 -1.1928907 -0.3254679), wk = 0.0011574 k( 594) = ( 0.3333333 -1.1928907 -0.1624104), wk = 0.0011574 k( 595) = ( 0.3333333 -1.1928907 0.0006470), wk = 0.0011574 k( 596) = ( 0.3333333 -1.1928907 0.1637044), wk = 0.0011574 k( 597) = ( 0.3333333 -1.1928907 -1.6299272), wk = 0.0011574 k( 598) = ( 0.3333333 -1.1928907 -1.4668698), wk = 0.0011574 k( 599) = ( 0.3333333 -1.1928907 -1.3038124), wk = 0.0011574 k( 600) = ( 0.3333333 -1.1928907 -1.1407550), wk = 0.0011574 k( 601) = ( 0.3333333 -1.1928907 -0.9776975), wk = 0.0011574 k( 602) = ( 0.3333333 -1.1928907 -0.8146401), wk = 0.0011574 k( 603) = ( 0.3333333 -1.0409261 -0.5924687), wk = 0.0011574 k( 604) = ( 0.3333333 -1.0409261 -0.4294113), wk = 0.0011574 k( 605) = ( 0.3333333 -1.0409261 -0.2663539), wk = 0.0011574 k( 606) = ( 0.3333333 -1.0409261 -0.1032964), wk = 0.0011574 k( 607) = ( 0.3333333 -1.0409261 0.0597610), wk = 0.0011574 k( 608) = ( 0.3333333 -1.0409261 0.2228184), wk = 0.0011574 k( 609) = ( 0.3333333 -1.0409261 -1.5708132), wk = 0.0011574 k( 610) = ( 0.3333333 -1.0409261 -1.4077558), wk = 0.0011574 k( 611) = ( 0.3333333 -1.0409261 -1.2446984), wk = 0.0011574 k( 612) = ( 0.3333333 -1.0409261 -1.0816410), wk = 0.0011574 k( 613) = ( 0.3333333 -1.0409261 -0.9185835), wk = 0.0011574 k( 614) = ( 0.3333333 -1.0409261 -0.7555261), wk = 0.0011574 k( 615) = ( 0.3333333 -0.8889614 -0.5333547), wk = 0.0011574 k( 616) = ( 0.3333333 -0.8889614 -0.3702973), wk = 0.0011574 k( 617) = ( 0.3333333 -0.8889614 -0.2072399), wk = 0.0011574 k( 618) = ( 0.3333333 -0.8889614 -0.0441824), wk = 0.0011574 k( 619) = ( 0.3333333 -0.8889614 0.1188750), wk = 0.0011574 k( 620) = ( 0.3333333 -0.8889614 0.2819324), wk = 0.0011574 k( 621) = ( 0.3333333 -0.8889614 -1.5116992), wk = 0.0011574 k( 622) = ( 0.3333333 -0.8889614 -1.3486418), wk = 0.0011574 k( 623) = ( 0.3333333 -0.8889614 -1.1855844), wk = 0.0011574 k( 624) = ( 0.3333333 -0.8889614 -1.0225270), wk = 0.0011574 k( 625) = ( 0.3333333 -0.8889614 -0.8594695), wk = 0.0011574 k( 626) = ( 0.3333333 -0.8889614 -0.6964121), wk = 0.0011574 k( 627) = ( 0.3333333 -0.7369967 -0.4742407), wk = 0.0011574 k( 628) = ( 0.3333333 -0.7369967 -0.3111833), wk = 0.0011574 k( 629) = ( 0.3333333 -0.7369967 -0.1481259), wk = 0.0011574 k( 630) = ( 0.3333333 -0.7369967 0.0149316), wk = 0.0011574 k( 631) = ( 0.3333333 -0.7369967 0.1779890), wk = 0.0011574 k( 632) = ( 0.3333333 -0.7369967 0.3410464), wk = 0.0011574 k( 633) = ( 0.3333333 -0.7369967 -1.4525852), wk = 0.0011574 k( 634) = ( 0.3333333 -0.7369967 -1.2895278), wk = 0.0011574 k( 635) = ( 0.3333333 -0.7369967 -1.1264704), wk = 0.0011574 k( 636) = ( 0.3333333 -0.7369967 -0.9634130), wk = 0.0011574 k( 637) = ( 0.3333333 -0.7369967 -0.8003555), wk = 0.0011574 k( 638) = ( 0.3333333 -0.7369967 -0.6372981), wk = 0.0011574 k( 639) = ( 0.3333333 -0.5850321 -0.4151267), wk = 0.0011574 k( 640) = ( 0.3333333 -0.5850321 -0.2520693), wk = 0.0011574 k( 641) = ( 0.3333333 -0.5850321 -0.0890119), wk = 0.0011574 k( 642) = ( 0.3333333 -0.5850321 0.0740455), wk = 0.0011574 k( 643) = ( 0.3333333 -0.5850321 0.2371030), wk = 0.0011574 k( 644) = ( 0.3333333 -0.5850321 0.4001604), wk = 0.0011574 k( 645) = ( 0.3333333 -0.5850321 -1.3934712), wk = 0.0011574 k( 646) = ( 0.3333333 -0.5850321 -1.2304138), wk = 0.0011574 k( 647) = ( 0.3333333 -0.5850321 -1.0673564), wk = 0.0011574 k( 648) = ( 0.3333333 -0.5850321 -0.9042990), wk = 0.0011574 k( 649) = ( 0.3333333 -0.5850321 -0.7412416), wk = 0.0011574 k( 650) = ( 0.3333333 -0.5850321 -0.5781841), wk = 0.0011574 k( 651) = ( 0.4166667 -0.5413343 -0.4450159), wk = 0.0011574 k( 652) = ( 0.4166667 -0.5413343 -0.2819585), wk = 0.0011574 k( 653) = ( 0.4166667 -0.5413343 -0.1189011), wk = 0.0011574 k( 654) = ( 0.4166667 -0.5413343 0.0441564), wk = 0.0011574 k( 655) = ( 0.4166667 -0.5413343 0.2072138), wk = 0.0011574 k( 656) = ( 0.4166667 -0.5413343 0.3702712), wk = 0.0011574 k( 657) = ( 0.4166667 -0.5413343 -1.4233604), wk = 0.0011574 k( 658) = ( 0.4166667 -0.5413343 -1.2603030), wk = 0.0011574 k( 659) = ( 0.4166667 -0.5413343 -1.0972456), wk = 0.0011574 k( 660) = ( 0.4166667 -0.5413343 -0.9341882), wk = 0.0011574 k( 661) = ( 0.4166667 -0.5413343 -0.7711307), wk = 0.0011574 k( 662) = ( 0.4166667 -0.5413343 -0.6080733), wk = 0.0011574 k( 663) = ( 0.4166667 -0.3893696 -0.3859019), wk = 0.0011574 k( 664) = ( 0.4166667 -0.3893696 -0.2228445), wk = 0.0011574 k( 665) = ( 0.4166667 -0.3893696 -0.0597871), wk = 0.0011574 k( 666) = ( 0.4166667 -0.3893696 0.1032704), wk = 0.0011574 k( 667) = ( 0.4166667 -0.3893696 0.2663278), wk = 0.0011574 k( 668) = ( 0.4166667 -0.3893696 0.4293852), wk = 0.0011574 k( 669) = ( 0.4166667 -0.3893696 -1.3642464), wk = 0.0011574 k( 670) = ( 0.4166667 -0.3893696 -1.2011890), wk = 0.0011574 k( 671) = ( 0.4166667 -0.3893696 -1.0381316), wk = 0.0011574 k( 672) = ( 0.4166667 -0.3893696 -0.8750742), wk = 0.0011574 k( 673) = ( 0.4166667 -0.3893696 -0.7120167), wk = 0.0011574 k( 674) = ( 0.4166667 -0.3893696 -0.5489593), wk = 0.0011574 k( 675) = ( 0.4166667 -0.2374050 -0.3267879), wk = 0.0011574 k( 676) = ( 0.4166667 -0.2374050 -0.1637305), wk = 0.0011574 k( 677) = ( 0.4166667 -0.2374050 -0.0006731), wk = 0.0011574 k( 678) = ( 0.4166667 -0.2374050 0.1623844), wk = 0.0011574 k( 679) = ( 0.4166667 -0.2374050 0.3254418), wk = 0.0011574 k( 680) = ( 0.4166667 -0.2374050 0.4884992), wk = 0.0011574 k( 681) = ( 0.4166667 -0.2374050 -1.3051324), wk = 0.0011574 k( 682) = ( 0.4166667 -0.2374050 -1.1420750), wk = 0.0011574 k( 683) = ( 0.4166667 -0.2374050 -0.9790176), wk = 0.0011574 k( 684) = ( 0.4166667 -0.2374050 -0.8159602), wk = 0.0011574 k( 685) = ( 0.4166667 -0.2374050 -0.6529027), wk = 0.0011574 k( 686) = ( 0.4166667 -0.2374050 -0.4898453), wk = 0.0011574 k( 687) = ( 0.4166667 -0.0854403 -0.2676739), wk = 0.0011574 k( 688) = ( 0.4166667 -0.0854403 -0.1046165), wk = 0.0011574 k( 689) = ( 0.4166667 -0.0854403 0.0584409), wk = 0.0011574 k( 690) = ( 0.4166667 -0.0854403 0.2214984), wk = 0.0011574 k( 691) = ( 0.4166667 -0.0854403 0.3845558), wk = 0.0011574 k( 692) = ( 0.4166667 -0.0854403 0.5476132), wk = 0.0011574 k( 693) = ( 0.4166667 -0.0854403 -1.2460184), wk = 0.0011574 k( 694) = ( 0.4166667 -0.0854403 -1.0829610), wk = 0.0011574 k( 695) = ( 0.4166667 -0.0854403 -0.9199036), wk = 0.0011574 k( 696) = ( 0.4166667 -0.0854403 -0.7568462), wk = 0.0011574 k( 697) = ( 0.4166667 -0.0854403 -0.5937887), wk = 0.0011574 k( 698) = ( 0.4166667 -0.0854403 -0.4307313), wk = 0.0011574 k( 699) = ( 0.4166667 0.0665244 -0.2085599), wk = 0.0011574 k( 700) = ( 0.4166667 0.0665244 -0.0455025), wk = 0.0011574 k( 701) = ( 0.4166667 0.0665244 0.1175549), wk = 0.0011574 k( 702) = ( 0.4166667 0.0665244 0.2806124), wk = 0.0011574 k( 703) = ( 0.4166667 0.0665244 0.4436698), wk = 0.0011574 k( 704) = ( 0.4166667 0.0665244 0.6067272), wk = 0.0011574 k( 705) = ( 0.4166667 0.0665244 -1.1869044), wk = 0.0011574 k( 706) = ( 0.4166667 0.0665244 -1.0238470), wk = 0.0011574 k( 707) = ( 0.4166667 0.0665244 -0.8607896), wk = 0.0011574 k( 708) = ( 0.4166667 0.0665244 -0.6977322), wk = 0.0011574 k( 709) = ( 0.4166667 0.0665244 -0.5346747), wk = 0.0011574 k( 710) = ( 0.4166667 0.0665244 -0.3716173), wk = 0.0011574 k( 711) = ( 0.4166667 0.2184890 -0.1494459), wk = 0.0011574 k( 712) = ( 0.4166667 0.2184890 0.0136115), wk = 0.0011574 k( 713) = ( 0.4166667 0.2184890 0.1766689), wk = 0.0011574 k( 714) = ( 0.4166667 0.2184890 0.3397264), wk = 0.0011574 k( 715) = ( 0.4166667 0.2184890 0.5027838), wk = 0.0011574 k( 716) = ( 0.4166667 0.2184890 0.6658412), wk = 0.0011574 k( 717) = ( 0.4166667 0.2184890 -1.1277904), wk = 0.0011574 k( 718) = ( 0.4166667 0.2184890 -0.9647330), wk = 0.0011574 k( 719) = ( 0.4166667 0.2184890 -0.8016756), wk = 0.0011574 k( 720) = ( 0.4166667 0.2184890 -0.6386182), wk = 0.0011574 k( 721) = ( 0.4166667 0.2184890 -0.4755607), wk = 0.0011574 k( 722) = ( 0.4166667 0.2184890 -0.3125033), wk = 0.0011574 k( 723) = ( 0.4166667 -1.4531222 -0.7996999), wk = 0.0011574 k( 724) = ( 0.4166667 -1.4531222 -0.6366425), wk = 0.0011574 k( 725) = ( 0.4166667 -1.4531222 -0.4735850), wk = 0.0011574 k( 726) = ( 0.4166667 -1.4531222 -0.3105276), wk = 0.0011574 k( 727) = ( 0.4166667 -1.4531222 -0.1474702), wk = 0.0011574 k( 728) = ( 0.4166667 -1.4531222 0.0155872), wk = 0.0011574 k( 729) = ( 0.4166667 -1.4531222 -1.7780444), wk = 0.0011574 k( 730) = ( 0.4166667 -1.4531222 -1.6149870), wk = 0.0011574 k( 731) = ( 0.4166667 -1.4531222 -1.4519296), wk = 0.0011574 k( 732) = ( 0.4166667 -1.4531222 -1.2888721), wk = 0.0011574 k( 733) = ( 0.4166667 -1.4531222 -1.1258147), wk = 0.0011574 k( 734) = ( 0.4166667 -1.4531222 -0.9627573), wk = 0.0011574 k( 735) = ( 0.4166667 -1.3011576 -0.7405859), wk = 0.0011574 k( 736) = ( 0.4166667 -1.3011576 -0.5775285), wk = 0.0011574 k( 737) = ( 0.4166667 -1.3011576 -0.4144710), wk = 0.0011574 k( 738) = ( 0.4166667 -1.3011576 -0.2514136), wk = 0.0011574 k( 739) = ( 0.4166667 -1.3011576 -0.0883562), wk = 0.0011574 k( 740) = ( 0.4166667 -1.3011576 0.0747012), wk = 0.0011574 k( 741) = ( 0.4166667 -1.3011576 -1.7189304), wk = 0.0011574 k( 742) = ( 0.4166667 -1.3011576 -1.5558730), wk = 0.0011574 k( 743) = ( 0.4166667 -1.3011576 -1.3928156), wk = 0.0011574 k( 744) = ( 0.4166667 -1.3011576 -1.2297581), wk = 0.0011574 k( 745) = ( 0.4166667 -1.3011576 -1.0667007), wk = 0.0011574 k( 746) = ( 0.4166667 -1.3011576 -0.9036433), wk = 0.0011574 k( 747) = ( 0.4166667 -1.1491929 -0.6814719), wk = 0.0011574 k( 748) = ( 0.4166667 -1.1491929 -0.5184145), wk = 0.0011574 k( 749) = ( 0.4166667 -1.1491929 -0.3553570), wk = 0.0011574 k( 750) = ( 0.4166667 -1.1491929 -0.1922996), wk = 0.0011574 k( 751) = ( 0.4166667 -1.1491929 -0.0292422), wk = 0.0011574 k( 752) = ( 0.4166667 -1.1491929 0.1338152), wk = 0.0011574 k( 753) = ( 0.4166667 -1.1491929 -1.6598164), wk = 0.0011574 k( 754) = ( 0.4166667 -1.1491929 -1.4967590), wk = 0.0011574 k( 755) = ( 0.4166667 -1.1491929 -1.3337016), wk = 0.0011574 k( 756) = ( 0.4166667 -1.1491929 -1.1706441), wk = 0.0011574 k( 757) = ( 0.4166667 -1.1491929 -1.0075867), wk = 0.0011574 k( 758) = ( 0.4166667 -1.1491929 -0.8445293), wk = 0.0011574 k( 759) = ( 0.4166667 -0.9972283 -0.6223579), wk = 0.0011574 k( 760) = ( 0.4166667 -0.9972283 -0.4593005), wk = 0.0011574 k( 761) = ( 0.4166667 -0.9972283 -0.2962430), wk = 0.0011574 k( 762) = ( 0.4166667 -0.9972283 -0.1331856), wk = 0.0011574 k( 763) = ( 0.4166667 -0.9972283 0.0298718), wk = 0.0011574 k( 764) = ( 0.4166667 -0.9972283 0.1929292), wk = 0.0011574 k( 765) = ( 0.4166667 -0.9972283 -1.6007024), wk = 0.0011574 k( 766) = ( 0.4166667 -0.9972283 -1.4376450), wk = 0.0011574 k( 767) = ( 0.4166667 -0.9972283 -1.2745876), wk = 0.0011574 k( 768) = ( 0.4166667 -0.9972283 -1.1115301), wk = 0.0011574 k( 769) = ( 0.4166667 -0.9972283 -0.9484727), wk = 0.0011574 k( 770) = ( 0.4166667 -0.9972283 -0.7854153), wk = 0.0011574 k( 771) = ( 0.4166667 -0.8452636 -0.5632439), wk = 0.0011574 k( 772) = ( 0.4166667 -0.8452636 -0.4001865), wk = 0.0011574 k( 773) = ( 0.4166667 -0.8452636 -0.2371290), wk = 0.0011574 k( 774) = ( 0.4166667 -0.8452636 -0.0740716), wk = 0.0011574 k( 775) = ( 0.4166667 -0.8452636 0.0889858), wk = 0.0011574 k( 776) = ( 0.4166667 -0.8452636 0.2520432), wk = 0.0011574 k( 777) = ( 0.4166667 -0.8452636 -1.5415884), wk = 0.0011574 k( 778) = ( 0.4166667 -0.8452636 -1.3785310), wk = 0.0011574 k( 779) = ( 0.4166667 -0.8452636 -1.2154736), wk = 0.0011574 k( 780) = ( 0.4166667 -0.8452636 -1.0524161), wk = 0.0011574 k( 781) = ( 0.4166667 -0.8452636 -0.8893587), wk = 0.0011574 k( 782) = ( 0.4166667 -0.8452636 -0.7263013), wk = 0.0011574 k( 783) = ( 0.4166667 -0.6932989 -0.5041299), wk = 0.0011574 k( 784) = ( 0.4166667 -0.6932989 -0.3410725), wk = 0.0011574 k( 785) = ( 0.4166667 -0.6932989 -0.1780150), wk = 0.0011574 k( 786) = ( 0.4166667 -0.6932989 -0.0149576), wk = 0.0011574 k( 787) = ( 0.4166667 -0.6932989 0.1480998), wk = 0.0011574 k( 788) = ( 0.4166667 -0.6932989 0.3111572), wk = 0.0011574 k( 789) = ( 0.4166667 -0.6932989 -1.4824744), wk = 0.0011574 k( 790) = ( 0.4166667 -0.6932989 -1.3194170), wk = 0.0011574 k( 791) = ( 0.4166667 -0.6932989 -1.1563596), wk = 0.0011574 k( 792) = ( 0.4166667 -0.6932989 -0.9933022), wk = 0.0011574 k( 793) = ( 0.4166667 -0.6932989 -0.8302447), wk = 0.0011574 k( 794) = ( 0.4166667 -0.6932989 -0.6671873), wk = 0.0011574 k( 795) = ( -0.5000000 0.6496011 0.5340191), wk = 0.0005787 k( 796) = ( -0.5000000 0.6496011 0.6970765), wk = 0.0011574 k( 797) = ( -0.5000000 0.6496011 0.8601339), wk = 0.0011574 k( 798) = ( -0.5000000 0.6496011 1.0231913), wk = 0.0011574 k( 799) = ( -0.5000000 0.6496011 1.1862488), wk = 0.0011574 k( 800) = ( -0.5000000 0.6496011 1.3493062), wk = 0.0011574 k( 801) = ( -0.5000000 0.6496011 -0.4443255), wk = 0.0005787 k( 802) = ( -0.5000000 0.8015658 0.5931331), wk = 0.0011574 k( 803) = ( -0.5000000 0.8015658 0.7561905), wk = 0.0011574 k( 804) = ( -0.5000000 0.8015658 0.9192479), wk = 0.0011574 k( 805) = ( -0.5000000 0.8015658 1.0823053), wk = 0.0011574 k( 806) = ( -0.5000000 0.8015658 1.2453627), wk = 0.0011574 k( 807) = ( -0.5000000 0.8015658 1.4084202), wk = 0.0011574 k( 808) = ( -0.5000000 0.8015658 -0.3852115), wk = 0.0011574 k( 809) = ( -0.5000000 0.8015658 -0.2221540), wk = 0.0011574 k( 810) = ( -0.5000000 0.8015658 -0.0590966), wk = 0.0011574 k( 811) = ( -0.5000000 0.8015658 0.1039608), wk = 0.0011574 k( 812) = ( -0.5000000 0.8015658 0.2670182), wk = 0.0011574 k( 813) = ( -0.5000000 0.8015658 0.4300756), wk = 0.0011574 k( 814) = ( -0.5000000 0.9535305 0.6522471), wk = 0.0011574 k( 815) = ( -0.5000000 0.9535305 0.8153045), wk = 0.0011574 k( 816) = ( -0.5000000 0.9535305 0.9783619), wk = 0.0011574 k( 817) = ( -0.5000000 0.9535305 1.1414193), wk = 0.0011574 k( 818) = ( -0.5000000 0.9535305 1.3044767), wk = 0.0011574 k( 819) = ( -0.5000000 0.9535305 1.4675342), wk = 0.0011574 k( 820) = ( -0.5000000 0.9535305 -0.3260975), wk = 0.0011574 k( 821) = ( -0.5000000 0.9535305 -0.1630400), wk = 0.0011574 k( 822) = ( -0.5000000 0.9535305 0.0000174), wk = 0.0011574 k( 823) = ( -0.5000000 0.9535305 0.1630748), wk = 0.0011574 k( 824) = ( -0.5000000 0.9535305 0.3261322), wk = 0.0011574 k( 825) = ( -0.5000000 0.9535305 0.4891896), wk = 0.0011574 k( 826) = ( -0.5000000 1.1054951 0.7113611), wk = 0.0011574 k( 827) = ( -0.5000000 1.1054951 0.8744185), wk = 0.0011574 k( 828) = ( -0.5000000 1.1054951 1.0374759), wk = 0.0011574 k( 829) = ( -0.5000000 1.1054951 1.2005333), wk = 0.0011574 k( 830) = ( -0.5000000 1.1054951 1.3635907), wk = 0.0011574 k( 831) = ( -0.5000000 1.1054951 1.5266482), wk = 0.0011574 k( 832) = ( -0.5000000 1.1054951 -0.2669835), wk = 0.0011574 k( 833) = ( -0.5000000 1.1054951 -0.1039260), wk = 0.0011574 k( 834) = ( -0.5000000 1.1054951 0.0591314), wk = 0.0011574 k( 835) = ( -0.5000000 1.1054951 0.2221888), wk = 0.0011574 k( 836) = ( -0.5000000 1.1054951 0.3852462), wk = 0.0011574 k( 837) = ( -0.5000000 1.1054951 0.5483036), wk = 0.0011574 k( 838) = ( -0.5000000 1.2574598 0.7704751), wk = 0.0011574 k( 839) = ( -0.5000000 1.2574598 0.9335325), wk = 0.0011574 k( 840) = ( -0.5000000 1.2574598 1.0965899), wk = 0.0011574 k( 841) = ( -0.5000000 1.2574598 1.2596473), wk = 0.0011574 k( 842) = ( -0.5000000 1.2574598 1.4227047), wk = 0.0011574 k( 843) = ( -0.5000000 1.2574598 1.5857622), wk = 0.0011574 k( 844) = ( -0.5000000 1.2574598 -0.2078695), wk = 0.0011574 k( 845) = ( -0.5000000 1.2574598 -0.0448120), wk = 0.0011574 k( 846) = ( -0.5000000 1.2574598 0.1182454), wk = 0.0011574 k( 847) = ( -0.5000000 1.2574598 0.2813028), wk = 0.0011574 k( 848) = ( -0.5000000 1.2574598 0.4443602), wk = 0.0011574 k( 849) = ( -0.5000000 1.2574598 0.6074176), wk = 0.0011574 k( 850) = ( -0.5000000 1.4094244 0.8295891), wk = 0.0011574 k( 851) = ( -0.5000000 1.4094244 0.9926465), wk = 0.0011574 k( 852) = ( -0.5000000 1.4094244 1.1557039), wk = 0.0011574 k( 853) = ( -0.5000000 1.4094244 1.3187613), wk = 0.0011574 k( 854) = ( -0.5000000 1.4094244 1.4818187), wk = 0.0011574 k( 855) = ( -0.5000000 1.4094244 1.6448762), wk = 0.0011574 k( 856) = ( -0.5000000 1.4094244 -0.1487555), wk = 0.0011574 k( 857) = ( -0.5000000 1.4094244 0.0143020), wk = 0.0011574 k( 858) = ( -0.5000000 1.4094244 0.1773594), wk = 0.0011574 k( 859) = ( -0.5000000 1.4094244 0.3404168), wk = 0.0011574 k( 860) = ( -0.5000000 1.4094244 0.5034742), wk = 0.0011574 k( 861) = ( -0.5000000 1.4094244 0.6665316), wk = 0.0011574 k( 862) = ( -0.5000000 -0.2621868 0.1793351), wk = 0.0005787 k( 863) = ( -0.5000000 -0.2621868 0.3423925), wk = 0.0011574 k( 864) = ( -0.5000000 -0.2621868 0.5054499), wk = 0.0011574 k( 865) = ( -0.5000000 -0.2621868 0.6685073), wk = 0.0011574 k( 866) = ( -0.5000000 -0.2621868 0.8315648), wk = 0.0011574 k( 867) = ( -0.5000000 -0.2621868 0.9946222), wk = 0.0011574 k( 868) = ( -0.5000000 -0.2621868 -0.7990094), 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: 11779 G-vectors FFT dimensions: ( 45, 40, 27) Smooth grid: 4205 G-vectors FFT dimensions: ( 32, 27, 20) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 34, 16) NL pseudopotentials 0.01 Mb ( 17, 28) Each V/rho on FFT grid 0.03 Mb ( 1800) Each G-vector array 0.00 Mb ( 327) G-vector shells 0.00 Mb ( 297) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.03 Mb ( 34, 64) Each subspace H/S matrix 0.00 Mb ( 16, 16) Each matrix 0.01 Mb ( 28, 2, 16) Arrays for rho mixing 0.22 Mb ( 1800, 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 3.7 secs per-process dynamical memory: 12.6 Mb Self-consistent Calculation iteration # 1 ecut= 41.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 3.9 total cpu time spent up to now is 21.8 secs total energy = -24.82417632 Ry Harris-Foulkes estimate = -24.93902363 Ry estimated scf accuracy < 0.19789582 Ry iteration # 2 ecut= 41.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.47E-03, avg # of iterations = 2.1 total cpu time spent up to now is 33.2 secs total energy = -24.85331077 Ry Harris-Foulkes estimate = -24.85337244 Ry estimated scf accuracy < 0.00223695 Ry iteration # 3 ecut= 41.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.80E-05, avg # of iterations = 3.0 total cpu time spent up to now is 46.9 secs total energy = -24.85353979 Ry Harris-Foulkes estimate = -24.85351896 Ry estimated scf accuracy < 0.00014894 Ry iteration # 4 ecut= 41.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.86E-06, avg # of iterations = 1.9 total cpu time spent up to now is 59.7 secs total energy = -24.85354522 Ry Harris-Foulkes estimate = -24.85354461 Ry estimated scf accuracy < 0.00000045 Ry iteration # 5 ecut= 41.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 5.61E-09, avg # of iterations = 2.1 total cpu time spent up to now is 73.5 secs total energy = -24.85354538 Ry Harris-Foulkes estimate = -24.85354535 Ry estimated scf accuracy < 0.00000002 Ry iteration # 6 ecut= 41.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.76E-10, avg # of iterations = 2.0 total cpu time spent up to now is 86.3 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 525 PWs) bands (ev): -12.6283 -12.6283 0.4916 0.4916 4.0755 4.0755 4.1022 4.1022 11.3796 11.3796 15.5336 15.5336 15.6066 15.6066 18.6229 18.6229 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1631 ( 520 PWs) bands (ev): -12.4570 -12.4570 0.6399 0.6399 3.4480 3.4480 3.7403 3.7403 11.6666 11.6666 15.6586 15.6586 16.2573 16.2573 18.0156 18.0156 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3261 ( 521 PWs) bands (ev): -11.9458 -11.9458 1.0873 1.0873 1.8138 1.8138 2.9375 2.9375 12.5143 12.5143 15.6250 15.6250 16.4012 16.4012 18.1190 18.1190 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4892 ( 520 PWs) bands (ev): -11.1028 -11.1028 -0.2893 -0.2893 1.8356 1.8356 2.0469 2.0469 13.7787 13.7787 14.3023 14.3023 15.3820 15.3820 20.6908 20.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6522 ( 522 PWs) bands (ev): -9.9437 -9.9437 -2.5088 -2.5088 1.3042 1.3042 2.8636 2.8636 11.8397 11.8397 14.9123 14.9123 15.8850 15.8850 23.4972 23.4972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.8153 ( 527 PWs) bands (ev): -8.5026 -8.5026 -4.6376 -4.6376 0.8257 0.8257 4.0388 4.0388 9.7766 9.7766 14.7302 14.7302 17.9681 17.9681 22.3085 22.3085 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0000-0.9783 ( 530 PWs) bands (ev): -7.1858 -7.1858 -6.1913 -6.1913 0.6614 0.6614 4.7291 4.7291 8.7725 8.7725 14.6494 14.6494 19.7166 19.7166 20.8654 20.8654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1520 0.0591 ( 520 PWs) bands (ev): -12.4570 -12.4570 0.6399 0.6399 3.4480 3.4480 3.7403 3.7403 11.6666 11.6666 15.6586 15.6586 16.2572 16.2572 18.0156 18.0156 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1520 0.2222 ( 527 PWs) bands (ev): -12.1298 -12.1298 1.0574 1.0574 2.4250 2.4250 3.0609 3.0609 11.9847 11.9847 16.0085 16.0085 16.8561 16.8561 17.0996 17.0996 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1520 0.3852 ( 524 PWs) bands (ev): -11.4649 -11.4649 0.7180 0.7180 1.7560 1.7560 2.0610 2.0610 12.8749 12.8749 14.9735 14.9735 16.1652 16.1652 18.6950 18.6950 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1520 0.5483 ( 522 PWs) bands (ev): -10.4729 -10.4729 -1.3586 -1.3586 1.1682 1.1682 2.7129 2.7129 12.7301 12.7301 14.3000 14.3000 15.9449 15.9449 20.9777 20.9777 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1520 0.7113 ( 524 PWs) bands (ev): -9.1750 -9.1750 -3.4948 -3.4948 0.5250 0.5250 3.8538 3.8538 10.5194 10.5194 15.5186 15.5186 16.3244 16.3244 22.2100 22.2100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1520 0.8744 ( 527 PWs) bands (ev): -7.6442 -7.6442 -5.4680 -5.4680 0.1884 0.1884 4.8134 4.8134 8.9188 8.9188 15.4108 15.4108 18.3526 18.3526 21.3367 21.3367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1520-0.9192 ( 525 PWs) bands (ev): -7.5717 -7.5717 -5.5301 -5.5301 0.1822 0.1822 4.5080 4.5080 9.1411 9.1411 15.4033 15.4033 19.3413 19.3413 21.1008 21.1008 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1520-0.7562 ( 528 PWs) bands (ev): -9.0919 -9.0919 -3.5496 -3.5496 0.5075 0.5075 3.2908 3.2908 10.8560 10.8560 15.5510 15.5510 17.7574 17.7574 22.1244 22.1244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1520-0.5931 ( 522 PWs) bands (ev): -10.3954 -10.3954 -1.3978 -1.3978 1.1436 1.1436 2.1273 2.1273 13.0124 13.0124 15.5784 15.5784 16.0617 16.0617 20.9305 20.9305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1520-0.4301 ( 521 PWs) bands (ev): -11.4022 -11.4022 0.6889 0.6889 1.2549 1.2549 2.0395 2.0395 13.9865 13.9865 15.2326 15.2326 16.1300 16.1300 18.7693 18.7693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1520-0.2670 ( 523 PWs) bands (ev): -12.0891 -12.0891 0.7200 0.7200 2.3921 2.3921 3.0603 3.0603 12.7153 12.7153 15.9473 15.9473 17.0530 17.0530 17.2116 17.2116 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1520-0.1039 ( 523 PWs) bands (ev): -12.4429 -12.4429 0.5208 0.5208 3.4182 3.4182 3.7576 3.7576 11.9194 11.9194 15.6368 15.6368 16.3010 16.3010 18.0974 18.0974 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3039 0.1182 ( 521 PWs) bands (ev): -11.9458 -11.9458 1.0873 1.0873 1.8139 1.8139 2.9375 2.9375 12.5143 12.5143 15.6250 15.6250 16.4012 16.4012 18.1189 18.1189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3039 0.2813 ( 524 PWs) bands (ev): -11.4649 -11.4649 0.7181 0.7181 1.7560 1.7560 2.0609 2.0609 12.8749 12.8749 14.9735 14.9735 16.1652 16.1652 18.6950 18.6950 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3039 0.4443 ( 533 PWs) bands (ev): -10.6524 -10.6524 -0.6039 -0.6039 0.7002 0.7002 2.6879 2.6879 13.1284 13.1284 13.8070 13.8070 17.4376 17.4376 18.8760 18.8760 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3039 0.6074 ( 520 PWs) bands (ev): -9.5228 -9.5228 -2.3312 -2.3312 -0.3566 -0.3566 3.8261 3.8261 11.1038 11.1038 15.2629 15.2629 17.6715 17.6715 20.5668 20.5668 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3039 0.7705 ( 527 PWs) bands (ev): -8.1116 -8.1116 -4.2539 -4.2539 -0.9365 -0.9365 4.9910 4.9910 9.2306 9.2306 16.9982 16.9982 17.5463 17.5463 19.9542 19.9542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3039 0.9335 ( 526 PWs) bands (ev): -6.7674 -6.7674 -5.7756 -5.7756 -1.1297 -1.1297 5.2791 5.2791 8.5695 8.5695 17.2793 17.2793 18.4949 18.4949 20.2444 20.2444 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3039-0.8601 ( 527 PWs) bands (ev): -7.9650 -7.9650 -4.3610 -4.3610 -0.9552 -0.9552 4.1052 4.1052 9.8040 9.8040 17.3522 17.3522 18.5639 18.5639 21.1759 21.1759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3039-0.6971 ( 531 PWs) bands (ev): -9.3750 -9.3750 -2.4104 -2.4104 -0.3899 -0.3899 2.7736 2.7736 11.6366 11.6366 17.4707 17.4707 17.7730 17.7730 20.2164 20.2164 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3039-0.5340 ( 527 PWs) bands (ev): -10.5228 -10.5228 -0.6600 -0.6600 0.6673 0.6673 1.7158 1.7158 13.5564 13.5564 16.1127 16.1127 17.3687 17.3687 18.8390 18.8390 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3039-0.3709 ( 521 PWs) bands (ev): -11.3690 -11.3690 0.6646 0.6646 1.0172 1.0172 2.0507 2.0507 14.5936 14.5936 15.2924 15.2924 16.2142 16.2142 18.7174 18.7174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3039-0.2079 ( 525 PWs) bands (ev): -11.8949 -11.8949 0.6873 0.6873 1.7697 1.7697 2.9490 2.9490 13.4272 13.4272 15.6303 15.6303 16.6612 16.6612 18.1425 18.1425 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3039-0.0448 ( 523 PWs) bands (ev): -12.0891 -12.0891 0.7200 0.7200 2.3921 2.3921 3.0603 3.0603 12.7153 12.7153 15.9474 15.9474 17.0530 17.0530 17.2115 17.2115 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4559 0.1773 ( 520 PWs) bands (ev): -11.1028 -11.1028 -0.2892 -0.2892 1.8356 1.8356 2.0469 2.0469 13.7787 13.7787 14.3023 14.3023 15.3820 15.3820 20.6908 20.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4559 0.3404 ( 522 PWs) bands (ev): -10.4729 -10.4729 -1.3586 -1.3586 1.1682 1.1682 2.7129 2.7129 12.7301 12.7301 14.3000 14.3000 15.9449 15.9449 20.9777 20.9777 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4559 0.5035 ( 520 PWs) bands (ev): -9.5228 -9.5228 -2.3312 -2.3312 -0.3566 -0.3566 3.8261 3.8261 11.1038 11.1038 15.2629 15.2629 17.6715 17.6715 20.5668 20.5668 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4559 0.6665 ( 527 PWs) bands (ev): -8.2773 -8.2773 -3.3537 -3.3537 -1.8442 -1.8442 5.0851 5.0851 9.3969 9.3969 16.7336 16.7336 19.0633 19.0633 19.9695 19.9695 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4559 0.8296 ( 523 PWs) bands (ev): -6.8157 -6.8157 -4.7865 -4.7865 -2.5542 -2.5542 6.1325 6.1325 7.9604 7.9604 17.8733 17.8733 18.7326 18.7326 19.9572 19.9572 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4559 0.9926 ( 524 PWs) bands (ev): -6.6544 -6.6544 -4.9131 -4.9131 -2.5690 -2.5690 5.3124 5.3124 8.5146 8.5146 17.8193 17.8193 19.9031 19.9031 20.1573 20.1573 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4559-0.8010 ( 526 PWs) bands (ev): -8.0887 -8.0887 -3.4332 -3.4332 -1.8980 -1.8980 3.8348 3.8348 9.9541 9.9541 18.2152 18.2152 19.4314 19.4314 20.1148 20.1148 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4559-0.6379 ( 525 PWs) bands (ev): -9.3442 -9.3442 -2.3756 -2.3756 -0.4135 -0.4135 2.5794 2.5794 11.4895 11.4895 17.3176 17.3176 18.3520 18.3520 20.3769 20.3769 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4559-0.4749 ( 524 PWs) bands (ev): -10.3269 -10.3269 -1.3988 -1.3988 1.1418 1.1418 1.6720 1.6720 13.0222 13.0222 15.7564 15.7564 17.1617 17.1617 20.8746 20.8746 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4559-0.3118 ( 518 PWs) bands (ev): -11.0073 -11.0073 -0.3264 -0.3264 1.1497 1.1497 2.0472 2.0472 14.3886 14.3886 15.1628 15.1628 15.9426 15.9426 20.6908 20.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4559-0.1488 ( 521 PWs) bands (ev): -11.3690 -11.3690 0.6646 0.6646 1.0172 1.0172 2.0507 2.0507 14.5936 14.5936 15.2924 15.2924 16.2142 16.2142 18.7174 18.7174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4559 0.0143 ( 521 PWs) bands (ev): -11.4022 -11.4022 0.6890 0.6890 1.2549 1.2549 2.0395 2.0395 13.9865 13.9865 15.2326 15.2326 16.1300 16.1300 18.7693 18.7693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6079 0.2365 ( 522 PWs) bands (ev): -9.9437 -9.9437 -2.5088 -2.5088 1.3042 1.3042 2.8636 2.8636 11.8397 11.8397 14.9123 14.9123 15.8850 15.8850 23.4972 23.4981 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6079 0.3995 ( 524 PWs) bands (ev): -9.1750 -9.1750 -3.4947 -3.4947 0.5250 0.5250 3.8538 3.8538 10.5194 10.5194 15.5186 15.5186 16.3244 16.3244 22.2100 22.2100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6079 0.5626 ( 527 PWs) bands (ev): -8.1116 -8.1116 -4.2539 -4.2539 -0.9366 -0.9366 4.9910 4.9910 9.2306 9.2306 16.9982 16.9982 17.5463 17.5463 19.9542 19.9542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6079 0.7256 ( 523 PWs) bands (ev): -6.8157 -6.8157 -4.7865 -4.7865 -2.5543 -2.5543 6.1325 6.1325 7.9604 7.9604 17.8733 17.8733 18.7326 18.7326 19.9572 19.9572 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6079 0.8887 ( 525 PWs) bands (ev): -5.5365 -5.5365 -5.4049 -5.4049 -3.5045 -3.5045 6.4801 6.4801 7.3135 7.3135 17.5398 17.5398 19.5905 19.5905 22.0880 22.0880 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6079 1.0517 ( 527 PWs) bands (ev): -6.6332 -6.6332 -4.8136 -4.8136 -2.6509 -2.6509 5.1129 5.1129 8.2598 8.2598 18.0533 18.0533 19.0123 19.0123 22.4928 22.4928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6079-0.7419 ( 525 PWs) bands (ev): -7.9201 -7.9201 -4.2623 -4.2623 -1.0142 -1.0142 3.8010 3.8010 9.3099 9.3099 17.0536 17.0536 19.1337 19.1337 22.6781 22.6781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6079-0.5788 ( 524 PWs) bands (ev): -9.0039 -9.0039 -3.4985 -3.4985 0.4849 0.4849 2.7376 2.7376 10.5122 10.5122 15.4210 15.4210 19.3474 19.3474 22.9492 22.9492 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6079-0.4158 ( 522 PWs) bands (ev): -9.8156 -9.8156 -2.5106 -2.5106 1.2918 1.2918 2.0147 2.0147 11.8285 11.8285 14.8854 14.8854 18.3442 18.3442 23.5278 23.5278 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6079-0.2527 ( 524 PWs) bands (ev): -10.3269 -10.3269 -1.3988 -1.3988 1.1418 1.1418 1.6720 1.6720 13.0222 13.0222 15.7564 15.7564 17.1617 17.1617 20.8745 20.8745 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6079-0.0897 ( 527 PWs) bands (ev): -10.5228 -10.5228 -0.6599 -0.6599 0.6672 0.6672 1.7158 1.7158 13.5564 13.5564 16.1127 16.1127 17.3688 17.3688 18.8389 18.8389 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6079 0.0734 ( 522 PWs) bands (ev): -10.3954 -10.3954 -1.3977 -1.3977 1.1436 1.1436 2.1273 2.1273 13.0124 13.0124 15.5784 15.5784 16.0617 16.0617 20.9305 20.9305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7598 0.2956 ( 527 PWs) bands (ev): -8.5026 -8.5026 -4.6376 -4.6376 0.8257 0.8257 4.0388 4.0388 9.7766 9.7766 14.7302 14.7302 17.9681 17.9681 22.3085 22.3085 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7598 0.4586 ( 527 PWs) bands (ev): -7.6442 -7.6442 -5.4680 -5.4680 0.1884 0.1884 4.8134 4.8134 8.9188 8.9188 15.4108 15.4108 18.3526 18.3526 21.3367 21.3367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7598 0.6217 ( 526 PWs) bands (ev): -6.7675 -6.7675 -5.7755 -5.7755 -1.1297 -1.1297 5.2791 5.2791 8.5695 8.5695 17.2792 17.2792 18.4949 18.4949 20.2445 20.2445 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7598 0.7847 ( 524 PWs) bands (ev): -6.6544 -6.6544 -4.9130 -4.9130 -2.5690 -2.5690 5.3124 5.3124 8.5146 8.5146 17.8193 17.8193 19.9031 19.9031 20.1573 20.1573 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7598 0.9478 ( 527 PWs) bands (ev): -6.6332 -6.6332 -4.8136 -4.8136 -2.6509 -2.6509 5.1129 5.1129 8.2598 8.2598 18.0533 18.0533 19.0123 19.0123 22.4928 22.4928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7598 1.1109 ( 524 PWs) bands (ev): -6.6522 -6.6522 -5.7030 -5.7030 -1.2084 -1.2084 4.6634 4.6634 8.0795 8.0795 16.9328 16.9328 19.2007 19.2007 24.3437 24.3437 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7598-0.6828 ( 522 PWs) bands (ev): -7.4859 -7.4859 -5.4255 -5.4255 0.1433 0.1433 3.9446 3.9446 8.4573 8.4573 15.1949 15.1949 20.3537 20.3537 24.4208 24.4208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7598-0.5197 ( 521 PWs) bands (ev): -8.3693 -8.3693 -4.5875 -4.5875 0.8028 0.8028 3.2260 3.2260 9.3556 9.3556 14.5732 14.5732 20.3711 20.3711 24.1133 24.1134 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7598-0.3567 ( 524 PWs) bands (ev): -9.0039 -9.0039 -3.4985 -3.4985 0.4849 0.4849 2.7376 2.7376 10.5122 10.5122 15.4210 15.4210 19.3474 19.3474 22.9492 22.9492 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7598-0.1936 ( 525 PWs) bands (ev): -9.3442 -9.3442 -2.3756 -2.3756 -0.4135 -0.4135 2.5794 2.5794 11.4895 11.4895 17.3176 17.3176 18.3520 18.3520 20.3769 20.3769 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7598-0.0305 ( 531 PWs) bands (ev): -9.3750 -9.3750 -2.4104 -2.4104 -0.3900 -0.3900 2.7736 2.7736 11.6366 11.6366 17.4707 17.4707 17.7730 17.7730 20.2164 20.2164 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.7598 0.1325 ( 528 PWs) bands (ev): -9.0919 -9.0919 -3.5495 -3.5495 0.5074 0.5074 3.2908 3.2908 10.8560 10.8560 15.5510 15.5510 17.7574 17.7574 22.1244 22.1244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.9118-0.3547 ( 530 PWs) bands (ev): -7.1858 -7.1858 -6.1913 -6.1913 0.6613 0.6613 4.7291 4.7291 8.7725 8.7725 14.6494 14.6494 19.7166 19.7166 20.8654 20.8654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.9118-0.1916 ( 525 PWs) bands (ev): -7.5717 -7.5717 -5.5301 -5.5301 0.1822 0.1822 4.5080 4.5080 9.1411 9.1411 15.4033 15.4033 19.3413 19.3413 21.1008 21.1008 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.9118-0.0286 ( 527 PWs) bands (ev): -7.9650 -7.9650 -4.3610 -4.3610 -0.9552 -0.9552 4.1052 4.1052 9.8040 9.8040 17.3522 17.3522 18.5639 18.5639 21.1759 21.1759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.9118 0.1345 ( 526 PWs) bands (ev): -8.0887 -8.0887 -3.4331 -3.4331 -1.8980 -1.8980 3.8348 3.8348 9.9541 9.9541 18.2152 18.2152 19.4314 19.4314 20.1148 20.1148 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.9118 0.2975 ( 525 PWs) bands (ev): -7.9201 -7.9201 -4.2623 -4.2623 -1.0142 -1.0142 3.8010 3.8010 9.3099 9.3099 17.0536 17.0536 19.1337 19.1337 22.6781 22.6781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.9118 0.4606 ( 522 PWs) bands (ev): -7.4859 -7.4859 -5.4255 -5.4255 0.1433 0.1433 3.9446 3.9446 8.4573 8.4573 15.1949 15.1949 20.3537 20.3537 24.4208 24.4208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.9118-1.3330 ( 520 PWs) bands (ev): -7.0694 -7.0694 -6.1021 -6.1021 0.6346 0.6346 4.0492 4.0492 8.0715 8.0715 14.4563 14.4563 21.0041 21.0041 24.6382 24.6382 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 = 0.0833-0.1083-0.0890 ( 520 PWs) bands (ev): -12.4570 -12.4570 0.6399 0.6399 3.4480 3.4480 3.7403 3.7403 11.6666 11.6666 15.6586 15.6586 16.2572 16.2572 18.0156 18.0156 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1083 0.0741 ( 523 PWs) bands (ev): -12.4619 -12.4619 0.6821 0.6821 3.4163 3.4163 3.7602 3.7602 11.5806 11.5806 15.6383 15.6383 16.3076 16.3076 18.0909 18.0909 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1083 0.2371 ( 524 PWs) bands (ev): -12.1252 -12.1252 1.0185 1.0185 2.3915 2.3915 3.0626 3.0626 12.0695 12.0695 15.9543 15.9543 17.0389 17.0389 17.2196 17.2196 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1083 0.4002 ( 522 PWs) bands (ev): -11.4518 -11.4518 0.7000 0.7000 1.6460 1.6460 2.0358 2.0358 13.1125 13.1125 15.1678 15.1678 16.1098 16.1098 18.8015 18.8015 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1083 0.5632 ( 521 PWs) bands (ev): -10.4531 -10.4531 -1.3733 -1.3733 1.1350 1.1350 2.5554 2.5554 12.8853 12.8853 14.6758 14.6758 15.8924 15.8924 21.0311 21.0311 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1083 0.7263 ( 526 PWs) bands (ev): -9.1512 -9.1512 -3.5127 -3.5127 0.4957 0.4957 3.6855 3.6855 10.6626 10.6626 15.5105 15.5105 16.7288 16.7288 22.5035 22.5035 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1083-1.0673 ( 525 PWs) bands (ev): -7.6216 -7.6216 -5.4889 -5.4889 0.1693 0.1693 4.7233 4.7233 8.9991 8.9991 15.3757 15.3757 18.7648 18.7648 21.3985 21.3985 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1083-0.9043 ( 526 PWs) bands (ev): -7.5967 -7.5967 -5.5097 -5.5097 0.1757 0.1757 4.6191 4.6191 9.0588 9.0588 15.3837 15.3837 19.0941 19.0941 21.2664 21.2664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1083-0.7412 ( 527 PWs) bands (ev): -9.1226 -9.1226 -3.5297 -3.5297 0.5139 0.5139 3.4905 3.4905 10.7239 10.7239 15.5354 15.5354 17.2250 17.2250 22.2354 22.2354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1083-0.5782 ( 522 PWs) bands (ev): -10.4264 -10.4264 -1.3812 -1.3812 1.1600 1.1600 2.3502 2.3502 12.8749 12.8749 15.0961 15.0961 15.9853 15.9853 20.9266 20.9266 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1083-0.4151 ( 524 PWs) bands (ev): -11.4303 -11.4303 0.7063 0.7063 1.4694 1.4694 2.0565 2.0565 13.4907 13.4907 15.0636 15.0636 16.1570 16.1570 18.6995 18.6995 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.1083-0.2521 ( 525 PWs) bands (ev): -12.1112 -12.1112 0.8990 0.8990 2.4207 2.4207 3.0600 3.0600 12.3175 12.3175 16.0011 16.0011 16.8841 16.8841 17.1088 17.1088 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0437-0.0299 ( 525 PWs) bands (ev): -12.6092 -12.6092 0.3291 0.3291 4.0762 4.0762 4.1000 4.1000 11.7210 11.7210 15.5357 15.5357 15.5995 15.5995 18.6326 18.6326 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0437 0.1332 ( 520 PWs) bands (ev): -12.4570 -12.4570 0.6399 0.6399 3.4480 3.4480 3.7403 3.7403 11.6666 11.6666 15.6586 15.6586 16.2573 16.2573 18.0156 18.0156 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0437 0.2962 ( 522 PWs) bands (ev): -11.9642 -11.9642 1.2443 1.2443 1.8184 1.8184 2.9376 2.9376 12.1850 12.1850 15.6263 15.6263 16.3717 16.3717 18.1183 18.1183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0437 0.4593 ( 522 PWs) bands (ev): -11.1369 -11.1369 -0.2758 -0.2758 2.0463 2.0463 2.1164 2.1164 13.2601 13.2601 14.1298 14.1298 15.3688 15.3688 20.6908 20.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0437 0.6223 ( 522 PWs) bands (ev): -9.9887 -9.9887 -2.4832 -2.4832 1.3042 1.3042 3.2074 3.2074 11.7062 11.7062 14.7058 14.7058 15.2401 15.2401 23.5429 23.5429 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0437 0.7854 ( 528 PWs) bands (ev): -8.5520 -8.5520 -4.5997 -4.5997 0.8257 0.8257 4.3347 4.3347 9.6217 9.6217 14.7279 14.7279 17.0436 17.0436 22.6865 22.6865 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 0.0437-1.0082 ( 527 PWs) bands (ev): -7.1879 -7.1879 -6.1880 -6.1880 0.6614 0.6614 4.7042 4.7042 8.8318 8.8318 14.6505 14.6505 19.2772 19.2772 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 = 0.0833 0.0437-0.8452 ( 529 PWs) bands (ev): -8.4443 -8.4443 -4.6804 -4.6804 0.8256 0.8256 3.7041 3.7041 10.0193 10.0193 14.7323 14.7323 19.0449 19.0449 21.7729 21.7729 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0437-0.6821 ( 522 PWs) bands (ev): -9.8808 -9.8808 -2.5433 -2.5433 1.3045 1.3045 2.4304 2.4304 12.0599 12.0599 14.9536 14.9536 17.0349 17.0349 23.1162 23.1162 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0437-0.5191 ( 518 PWs) bands (ev): -11.0427 -11.0427 -0.3123 -0.3123 1.3891 1.3891 2.0468 2.0468 14.2413 14.2413 14.9703 14.9703 15.5059 15.5059 20.6912 20.6912 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0437-0.3560 ( 523 PWs) bands (ev): -11.8948 -11.8948 0.6862 0.6862 1.8015 1.8015 2.9372 2.9372 13.4221 13.4221 15.6250 15.6250 16.4824 16.4824 18.1202 18.1202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0437-0.1929 ( 525 PWs) bands (ev): -12.4203 -12.4203 0.3369 0.3369 3.4431 3.4431 3.7401 3.7401 12.3228 12.3228 15.6524 15.6524 16.2555 16.2555 18.0455 18.0455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1957 0.0292 ( 525 PWs) bands (ev): -12.4203 -12.4203 0.3369 0.3369 3.4432 3.4432 3.7401 3.7401 12.3228 12.3228 15.6524 15.6524 16.2555 16.2555 18.0455 18.0455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1957 0.1923 ( 525 PWs) bands (ev): -12.1112 -12.1112 0.8990 0.8990 2.4207 2.4207 3.0600 3.0600 12.3175 12.3175 16.0011 16.0011 16.8841 16.8841 17.1088 17.1088 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1957 0.3553 ( 524 PWs) bands (ev): -11.4649 -11.4649 0.7180 0.7180 1.7560 1.7560 2.0610 2.0610 12.8749 12.8749 14.9735 14.9735 16.1652 16.1652 18.6950 18.6950 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1957 0.5184 ( 525 PWs) bands (ev): -10.4897 -10.4897 -1.3503 -1.3503 1.1711 1.1711 2.8537 2.8537 12.6853 12.6853 13.9932 13.9932 15.9427 15.9427 20.9972 20.9972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1957 0.6815 ( 527 PWs) bands (ev): -9.2047 -9.2047 -3.4744 -3.4744 0.5314 0.5314 4.0751 4.0751 10.4183 10.4183 15.4234 15.4234 15.8932 15.8932 22.0935 22.0935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1957 0.8445 ( 529 PWs) bands (ev): -7.6787 -7.6787 -5.4364 -5.4364 0.1978 0.1978 4.9344 4.9344 8.8799 8.8799 15.4339 15.4339 17.7723 17.7723 21.1811 21.1811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1957-0.9491 ( 526 PWs) bands (ev): -7.5280 -7.5280 -5.5645 -5.5645 0.1936 0.1936 4.3051 4.3051 9.3321 9.3321 15.4293 15.4293 19.5693 19.5693 20.7947 20.7947 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1957-0.7861 ( 525 PWs) bands (ev): -9.0310 -9.0310 -3.5857 -3.5857 0.5194 0.5194 2.9208 2.9208 11.0826 11.0826 15.5787 15.5787 18.7963 18.7963 21.7918 21.7918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1957-0.6230 ( 524 PWs) bands (ev): -10.3270 -10.3270 -1.4259 -1.4259 1.1538 1.1538 1.6759 1.6759 13.1808 13.1808 15.8225 15.8225 17.1171 17.1171 20.8032 20.8032 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1957-0.4599 ( 524 PWs) bands (ev): -11.3328 -11.3328 0.6725 0.6725 0.7713 0.7713 2.0447 2.0447 15.0920 15.0920 15.4515 15.4515 16.1772 16.1772 18.7219 18.7219 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1957-0.2969 ( 523 PWs) bands (ev): -12.0251 -12.0251 0.2476 0.2476 2.3923 2.3923 3.0563 3.0563 13.8639 13.8639 15.9433 15.9433 17.0688 17.0688 17.1982 17.1982 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1957-0.1338 ( 526 PWs) bands (ev): -12.3904 -12.3904 0.1095 0.1095 3.4229 3.4229 3.7504 3.7504 12.8563 12.8563 15.6339 15.6339 16.2821 16.2821 18.1134 18.1134 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3476 0.0883 ( 523 PWs) bands (ev): -11.8948 -11.8948 0.6862 0.6862 1.8015 1.8015 2.9371 2.9371 13.4221 13.4221 15.6250 15.6250 16.4824 16.4824 18.1202 18.1202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3476 0.2514 ( 524 PWs) bands (ev): -11.4303 -11.4303 0.7063 0.7063 1.4694 1.4694 2.0565 2.0565 13.4907 13.4907 15.0636 15.0636 16.1570 16.1570 18.6995 18.6995 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3476 0.4145 ( 525 PWs) bands (ev): -10.6354 -10.6354 -0.6113 -0.6113 0.6957 0.6957 2.5446 2.5446 13.1842 13.1842 14.1057 14.1057 17.4217 17.4217 18.8747 18.8747 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3476 0.5775 ( 520 PWs) bands (ev): -9.5228 -9.5228 -2.3312 -2.3312 -0.3566 -0.3566 3.8261 3.8261 11.1038 11.1038 15.2629 15.2629 17.6715 17.6715 20.5668 20.5668 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3476 0.7406 ( 526 PWs) bands (ev): -8.1255 -8.1255 -4.2425 -4.2425 -0.9303 -0.9303 5.0806 5.0806 9.1789 9.1789 16.8918 16.8918 17.5156 17.5156 19.7048 19.7048 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3476 0.9036 ( 525 PWs) bands (ev): -6.7708 -6.7708 -5.7695 -5.7695 -1.1174 -1.1174 5.2343 5.2343 8.6199 8.6199 17.3515 17.3515 18.7162 18.7162 19.3714 19.3714 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3476-0.8900 ( 526 PWs) bands (ev): -7.9239 -7.9239 -4.3866 -4.3866 -0.9395 -0.9395 3.8777 3.8777 9.9328 9.9328 17.4163 17.4163 18.8686 18.8686 20.6788 20.6788 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3476-0.7269 ( 527 PWs) bands (ev): -9.3180 -9.3180 -2.4311 -2.4311 -0.3762 -0.3762 2.4314 2.4314 11.7243 11.7243 17.5646 17.5646 18.5660 18.5660 20.0776 20.0776 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3476-0.5639 ( 523 PWs) bands (ev): -10.4549 -10.4549 -0.6601 -0.6601 0.6663 0.6663 1.2895 1.2895 13.5629 13.5629 17.0986 17.0986 17.6633 17.6633 18.8109 18.8109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3476-0.4008 ( 523 PWs) bands (ev): -11.2959 -11.2959 0.5319 0.5319 0.6849 0.6849 2.0393 2.0393 15.2313 15.2313 15.7917 15.7917 16.3836 16.3836 18.7063 18.7063 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3476-0.2378 ( 521 PWs) bands (ev): -11.8232 -11.8232 0.1899 0.1899 1.7845 1.7845 2.9377 2.9377 14.7137 14.7137 15.6223 15.6223 16.6326 16.6326 18.1186 18.1186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3476-0.0747 ( 523 PWs) bands (ev): -12.0251 -12.0251 0.2476 0.2476 2.3924 2.3924 3.0563 3.0563 13.8639 13.8639 15.9433 15.9433 17.0688 17.0688 17.1982 17.1982 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4996 0.1475 ( 518 PWs) bands (ev): -11.0427 -11.0427 -0.3123 -0.3123 1.3891 1.3891 2.0468 2.0468 14.2413 14.2413 14.9703 14.9703 15.5059 15.5059 20.6912 20.6912 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4996 0.3105 ( 522 PWs) bands (ev): -10.4264 -10.4264 -1.3812 -1.3812 1.1600 1.1600 2.3502 2.3502 12.8749 12.8749 15.0961 15.0961 15.9853 15.9853 20.9266 20.9266 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4996 0.4736 ( 526 PWs) bands (ev): -9.4924 -9.4924 -2.3494 -2.3494 -0.3677 -0.3677 3.5845 3.5845 11.2265 11.2265 15.7513 15.7513 17.6477 17.6477 20.4719 20.4719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4996 0.6366 ( 528 PWs) bands (ev): -8.2632 -8.2632 -3.3644 -3.3644 -1.8518 -1.8518 4.9788 4.9788 9.4685 9.4685 16.8339 16.8339 19.2924 19.2924 20.0505 20.0505 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4996 0.7997 ( 523 PWs) bands (ev): -6.8157 -6.8157 -4.7865 -4.7865 -2.5542 -2.5542 6.1325 6.1325 7.9604 7.9604 17.8733 17.8733 18.7326 18.7326 19.9572 19.9572 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4996 0.9627 ( 525 PWs) bands (ev): -6.6421 -6.6421 -4.9198 -4.9198 -2.5623 -2.5623 5.2439 5.2439 8.5341 8.5341 17.9843 17.9843 19.7712 19.7712 19.9528 19.9528 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4996-0.8309 ( 528 PWs) bands (ev): -8.0583 -8.0583 -3.4340 -3.4340 -1.8966 -1.8966 3.6605 3.6605 9.9468 9.9468 18.5248 18.5248 19.2167 19.2167 20.1629 20.1629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4996-0.6678 ( 526 PWs) bands (ev): -9.2970 -9.2970 -2.3587 -2.3587 -0.4252 -0.4252 2.3028 2.3028 11.4123 11.4123 17.2957 17.2957 19.0187 19.0187 20.5208 20.5208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4996-0.5048 ( 526 PWs) bands (ev): -10.2657 -10.2657 -1.3747 -1.3747 1.1285 1.1285 1.3044 1.3044 12.8868 12.8868 15.7212 15.7212 18.4026 18.4026 20.9443 20.9443 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4996-0.3417 ( 526 PWs) bands (ev): -10.9371 -10.9371 -0.3025 -0.3025 0.7114 0.7114 2.0346 2.0346 14.2618 14.2618 15.2249 15.2249 17.2398 17.2398 20.6688 20.6688 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4996-0.1787 ( 523 PWs) bands (ev): -11.2959 -11.2959 0.5319 0.5319 0.6849 0.6849 2.0393 2.0393 15.2313 15.2313 15.7917 15.7917 16.3836 16.3836 18.7063 18.7063 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4996-0.0156 ( 524 PWs) bands (ev): -11.3328 -11.3328 0.6726 0.6726 0.7713 0.7713 2.0446 2.0446 15.0920 15.0920 15.4515 15.4515 16.1772 16.1772 18.7219 18.7219 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6516 0.2066 ( 522 PWs) bands (ev): -9.8808 -9.8808 -2.5432 -2.5432 1.3045 1.3045 2.4304 2.4304 12.0600 12.0600 14.9536 14.9536 17.0349 17.0349 23.1162 23.1162 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6516 0.3696 ( 527 PWs) bands (ev): -9.1226 -9.1226 -3.5297 -3.5297 0.5138 0.5138 3.4905 3.4905 10.7239 10.7239 15.5354 15.5354 17.2250 17.2250 22.2354 22.2354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6516 0.5327 ( 527 PWs) bands (ev): -8.0733 -8.0733 -4.2844 -4.2844 -0.9535 -0.9535 4.7487 4.7487 9.3904 9.3904 17.1447 17.1447 17.7879 17.7879 20.6177 20.6177 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6516 0.6957 ( 525 PWs) bands (ev): -6.7938 -6.7938 -4.8090 -4.8090 -2.5696 -2.5696 6.0386 6.0386 8.0633 8.0633 17.5107 17.5107 19.7650 19.7650 19.9188 19.9188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6516 0.8588 ( 524 PWs) bands (ev): -5.5317 -5.5317 -5.4183 -5.4183 -3.5083 -3.5083 6.5604 6.5604 7.2906 7.2906 17.3890 17.3890 19.9659 19.9659 21.9451 21.9451 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6516 1.0219 ( 527 PWs) bands (ev): -6.6332 -6.6332 -4.8136 -4.8136 -2.6509 -2.6509 5.1129 5.1129 8.2598 8.2598 18.0533 18.0533 19.0123 19.0123 22.4928 22.4928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6516-0.7718 ( 529 PWs) bands (ev): -7.9043 -7.9043 -4.2524 -4.2524 -1.0201 -1.0201 3.7102 3.7102 9.2570 9.2570 17.0331 17.0331 19.2521 19.2521 22.9167 22.9167 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6516-0.6087 ( 524 PWs) bands (ev): -8.9707 -8.9707 -3.4794 -3.4794 0.4764 0.4764 2.5483 2.5483 10.3891 10.3891 15.3761 15.3761 19.9294 19.9294 23.3849 23.3849 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6516-0.4457 ( 519 PWs) bands (ev): -9.7665 -9.7665 -2.4859 -2.4859 1.2822 1.2822 1.7295 1.7295 11.6631 11.6631 14.8293 14.8293 19.4254 19.4254 23.5146 23.5146 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6516-0.2826 ( 526 PWs) bands (ev): -10.2657 -10.2657 -1.3747 -1.3747 1.1285 1.1285 1.3044 1.3044 12.8868 12.8868 15.7212 15.7212 18.4026 18.4026 20.9442 20.9442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6516-0.1195 ( 523 PWs) bands (ev): -10.4549 -10.4549 -0.6601 -0.6601 0.6663 0.6663 1.2895 1.2895 13.5629 13.5629 17.0986 17.0986 17.6633 17.6633 18.8109 18.8109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6516 0.0435 ( 524 PWs) bands (ev): -10.3270 -10.3270 -1.4259 -1.4259 1.1537 1.1537 1.6759 1.6759 13.1808 13.1808 15.8225 15.8225 17.1171 17.1171 20.8032 20.8032 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-1.0201-0.4437 ( 529 PWs) bands (ev): -8.4443 -8.4443 -4.6804 -4.6804 0.8256 0.8256 3.7041 3.7041 10.0193 10.0193 14.7323 14.7323 19.0449 19.0449 21.7729 21.7729 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-1.0201-0.2806 ( 526 PWs) bands (ev): -7.5967 -7.5967 -5.5097 -5.5097 0.1757 0.1757 4.6191 4.6191 9.0588 9.0588 15.3837 15.3837 19.0941 19.0941 21.2664 21.2664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-1.0201-0.1176 ( 524 PWs) bands (ev): -6.7641 -6.7641 -5.7825 -5.7825 -1.1503 -1.1503 5.3256 5.3256 8.5405 8.5405 17.1852 17.1852 18.5610 18.5610 21.0974 21.0974 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-1.0201 0.0455 ( 523 PWs) bands (ev): -6.6878 -6.6878 -4.8945 -4.8945 -2.5871 -2.5871 5.4977 5.4977 8.4660 8.4660 17.6325 17.6325 19.7899 19.7899 20.8931 20.8931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-1.0201 0.2085 ( 528 PWs) bands (ev): -6.6604 -6.6604 -4.8284 -4.8284 -2.6406 -2.6406 5.2746 5.2746 8.3080 8.3080 17.7972 17.7972 19.3233 19.3233 22.1057 22.1057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-1.0201 0.3716 ( 526 PWs) bands (ev): -6.6674 -6.6674 -5.7140 -5.7140 -1.2024 -1.2024 4.7483 4.7483 8.1437 8.1437 16.9537 16.9537 19.1205 19.1205 23.5539 23.5539 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-1.0201-1.4220 ( 522 PWs) bands (ev): -7.4859 -7.4859 -5.4255 -5.4255 0.1433 0.1433 3.9446 3.9446 8.4573 8.4573 15.1949 15.1949 20.3537 20.3537 24.4208 24.4208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-1.0201-1.2590 ( 520 PWs) bands (ev): -8.3527 -8.3527 -4.5763 -4.5763 0.7994 0.7994 3.1326 3.1326 9.2770 9.2770 14.5487 14.5487 20.6494 20.6494 25.0281 25.0281 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-1.0201-1.0959 ( 524 PWs) bands (ev): -8.9707 -8.9707 -3.4794 -3.4794 0.4764 0.4764 2.5483 2.5483 10.3891 10.3891 15.3761 15.3761 19.9294 19.9294 23.3849 23.3849 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-1.0201-0.9329 ( 526 PWs) bands (ev): -9.2970 -9.2970 -2.3587 -2.3587 -0.4252 -0.4252 2.3028 2.3028 11.4123 11.4123 17.2957 17.2957 19.0187 19.0187 20.5207 20.5207 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-1.0201-0.7698 ( 527 PWs) bands (ev): -9.3180 -9.3180 -2.4311 -2.4311 -0.3762 -0.3762 2.4314 2.4314 11.7243 11.7243 17.5646 17.5646 18.5660 18.5660 20.0776 20.0776 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-1.0201-0.6067 ( 525 PWs) bands (ev): -9.0310 -9.0310 -3.5857 -3.5857 0.5194 0.5194 2.9208 2.9208 11.0826 11.0826 15.5787 15.5787 18.7963 18.7963 21.7918 21.7918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8681-0.3846 ( 527 PWs) bands (ev): -7.1879 -7.1879 -6.1880 -6.1880 0.6614 0.6614 4.7042 4.7042 8.8318 8.8318 14.6505 14.6505 19.2772 19.2772 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 = 0.0833-0.8681-0.2215 ( 525 PWs) bands (ev): -7.6216 -7.6216 -5.4889 -5.4889 0.1692 0.1692 4.7233 4.7233 8.9991 8.9991 15.3757 15.3757 18.7648 18.7648 21.3985 21.3985 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8681-0.0585 ( 523 PWs) bands (ev): -8.0201 -8.0201 -4.3254 -4.3254 -0.9764 -0.9764 4.4252 4.4252 9.6465 9.6465 17.2734 17.2734 18.2042 18.2042 21.2500 21.2500 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8681 0.1046 ( 527 PWs) bands (ev): -8.1404 -8.1404 -3.4324 -3.4324 -1.8992 -1.8992 4.1490 4.1490 9.9595 9.9595 17.8982 17.8982 19.5532 19.5532 19.9699 19.9699 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8681 0.2677 ( 525 PWs) bands (ev): -7.9630 -7.9630 -4.2893 -4.2893 -0.9981 -0.9981 4.0557 4.0557 9.4546 9.4546 17.1139 17.1139 18.8176 18.8176 21.8833 21.8833 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8681 0.4307 ( 521 PWs) bands (ev): -7.5162 -7.5162 -5.4484 -5.4484 0.1522 0.1522 4.1170 4.1170 8.6138 8.6138 15.2450 15.2450 20.0492 20.0492 23.0365 23.0365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8681-1.3629 ( 518 PWs) bands (ev): -7.0853 -7.0853 -6.1142 -6.1142 0.6384 0.6384 4.1355 4.1355 8.1608 8.1608 14.4820 14.4820 20.8426 20.8426 23.7239 23.7239 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8681-1.1999 ( 522 PWs) bands (ev): -7.4859 -7.4859 -5.4255 -5.4255 0.1433 0.1433 3.9446 3.9446 8.4573 8.4573 15.1949 15.1949 20.3537 20.3537 24.4208 24.4208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8681-1.0368 ( 529 PWs) bands (ev): -7.9043 -7.9043 -4.2524 -4.2524 -1.0201 -1.0201 3.7102 3.7102 9.2570 9.2570 17.0331 17.0331 19.2521 19.2521 22.9167 22.9167 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8681-0.8737 ( 528 PWs) bands (ev): -8.0583 -8.0583 -3.4340 -3.4340 -1.8966 -1.8966 3.6605 3.6605 9.9468 9.9468 18.5248 18.5248 19.2167 19.2167 20.1628 20.1628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8681-0.7107 ( 526 PWs) bands (ev): -7.9239 -7.9239 -4.3866 -4.3866 -0.9395 -0.9395 3.8777 3.8777 9.9328 9.9328 17.4162 17.4162 18.8686 18.8686 20.6788 20.6788 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.8681-0.5476 ( 526 PWs) bands (ev): -7.5281 -7.5281 -5.5644 -5.5644 0.1935 0.1935 4.3051 4.3051 9.3321 9.3321 15.4293 15.4293 19.5693 19.5693 20.7948 20.7948 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7161-0.3255 ( 528 PWs) bands (ev): -8.5520 -8.5520 -4.5997 -4.5997 0.8257 0.8257 4.3347 4.3347 9.6217 9.6217 14.7279 14.7279 17.0436 17.0436 22.6865 22.6865 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 = 0.0833-0.7161-0.1624 ( 526 PWs) bands (ev): -9.1512 -9.1512 -3.5127 -3.5127 0.4957 0.4957 3.6855 3.6855 10.6626 10.6626 15.5105 15.5105 16.7288 16.7288 22.5035 22.5035 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7161 0.0007 ( 524 PWs) bands (ev): -9.4390 -9.4390 -2.3862 -2.3862 -0.4050 -0.4050 3.1974 3.1974 11.5360 11.5360 16.6820 16.6820 17.5075 17.5075 20.3763 20.3763 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7161 0.1637 ( 525 PWs) bands (ev): -9.4072 -9.4072 -2.3986 -2.3986 -0.3970 -0.3970 2.9810 2.9810 11.5892 11.5892 17.0418 17.0418 17.7316 17.7316 20.1804 20.1804 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7161 0.3268 ( 526 PWs) bands (ev): -9.0601 -9.0601 -3.5313 -3.5313 0.4995 0.4995 3.0811 3.0811 10.7313 10.7313 15.4984 15.4984 18.3515 18.3515 22.2626 22.2626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7161 0.4898 ( 523 PWs) bands (ev): -8.4141 -8.4141 -4.6182 -4.6182 0.8128 0.8128 3.4885 3.4885 9.5767 9.5767 14.6407 14.6407 19.5937 19.5937 22.9028 22.9028 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7161-1.3038 ( 521 PWs) bands (ev): -7.5162 -7.5162 -5.4484 -5.4484 0.1522 0.1522 4.1170 4.1170 8.6138 8.6138 15.2450 15.2450 20.0492 20.0492 23.0365 23.0365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7161-1.1407 ( 526 PWs) bands (ev): -6.6674 -6.6674 -5.7140 -5.7140 -1.2024 -1.2024 4.7483 4.7483 8.1437 8.1437 16.9537 16.9537 19.1205 19.1205 23.5539 23.5539 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7161-0.9777 ( 527 PWs) bands (ev): -6.6332 -6.6332 -4.8136 -4.8136 -2.6509 -2.6509 5.1129 5.1129 8.2598 8.2598 18.0533 18.0533 19.0123 19.0123 22.4928 22.4928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7161-0.8146 ( 525 PWs) bands (ev): -6.6422 -6.6422 -4.9197 -4.9197 -2.5623 -2.5623 5.2439 5.2439 8.5341 8.5341 17.9843 17.9843 19.7712 19.7712 19.9528 19.9528 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7161-0.6516 ( 525 PWs) bands (ev): -6.7709 -6.7709 -5.7694 -5.7694 -1.1174 -1.1174 5.2343 5.2343 8.6199 8.6199 17.3514 17.3514 18.7162 18.7162 19.3714 19.3714 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.7161-0.4885 ( 529 PWs) bands (ev): -7.6787 -7.6787 -5.4364 -5.4364 0.1978 0.1978 4.9344 4.9344 8.8799 8.8799 15.4339 15.4339 17.7723 17.7723 21.1811 21.1811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.5642-0.2663 ( 522 PWs) bands (ev): -9.9887 -9.9887 -2.4831 -2.4831 1.3042 1.3042 3.2074 3.2074 11.7062 11.7062 14.7058 14.7058 15.2402 15.2402 23.5428 23.5428 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.5642-0.1033 ( 521 PWs) bands (ev): -10.4531 -10.4531 -1.3733 -1.3733 1.1350 1.1350 2.5554 2.5554 12.8853 12.8853 14.6758 14.6758 15.8924 15.8924 21.0310 21.0310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.5642 0.0598 ( 521 PWs) bands (ev): -10.5888 -10.5888 -0.6601 -0.6601 0.6694 0.6694 2.1814 2.1814 13.5462 13.5462 14.9495 14.9495 17.3434 17.3434 18.8824 18.8824 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.5642 0.2228 ( 522 PWs) bands (ev): -10.3956 -10.3956 -1.4260 -1.4260 1.1572 1.1572 2.1309 2.1309 13.1828 13.1828 15.5282 15.5282 16.1595 16.1595 20.7890 20.7890 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.5642 0.3859 ( 522 PWs) bands (ev): -9.8809 -9.8809 -2.5438 -2.5438 1.3052 1.3052 2.4297 2.4297 12.0652 12.0652 14.9533 14.9533 17.0481 17.0481 23.5465 23.5466 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.5642 0.5489 ( 526 PWs) bands (ev): -9.0601 -9.0601 -3.5313 -3.5313 0.4995 0.4995 3.0811 3.0811 10.7313 10.7313 15.4984 15.4984 18.3515 18.3515 22.2626 22.2626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.5642-1.2447 ( 525 PWs) bands (ev): -7.9630 -7.9630 -4.2893 -4.2893 -0.9981 -0.9981 4.0557 4.0557 9.4546 9.4546 17.1139 17.1139 18.8176 18.8176 21.8833 21.8833 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.5642-1.0816 ( 528 PWs) bands (ev): -6.6604 -6.6604 -4.8284 -4.8284 -2.6405 -2.6405 5.2746 5.2746 8.3080 8.3080 17.7972 17.7972 19.3233 19.3233 22.1057 22.1057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.5642-0.9186 ( 524 PWs) bands (ev): -5.5317 -5.5317 -5.4183 -5.4183 -3.5083 -3.5083 6.5604 6.5604 7.2906 7.2906 17.3890 17.3890 19.9659 19.9659 21.9451 21.9451 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.5642-0.7555 ( 523 PWs) bands (ev): -6.8157 -6.8157 -4.7865 -4.7865 -2.5543 -2.5543 6.1325 6.1325 7.9604 7.9604 17.8733 17.8733 18.7326 18.7326 19.9572 19.9572 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.5642-0.5925 ( 526 PWs) bands (ev): -8.1255 -8.1255 -4.2425 -4.2425 -0.9303 -0.9303 5.0806 5.0806 9.1789 9.1789 16.8918 16.8918 17.5156 17.5156 19.7048 19.7048 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.5642-0.4294 ( 527 PWs) bands (ev): -9.2047 -9.2047 -3.4744 -3.4744 0.5314 0.5314 4.0751 4.0751 10.4183 10.4183 15.4234 15.4234 15.8932 15.8932 22.0934 22.0934 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4122-0.2072 ( 522 PWs) bands (ev): -11.1368 -11.1368 -0.2758 -0.2758 2.0462 2.0462 2.1164 2.1164 13.2601 13.2601 14.1298 14.1298 15.3688 15.3688 20.6908 20.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4122-0.0442 ( 522 PWs) bands (ev): -11.4518 -11.4518 0.7000 0.7000 1.6460 1.6460 2.0358 2.0358 13.1125 13.1125 15.1678 15.1678 16.1099 16.1099 18.8014 18.8014 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4122 0.1189 ( 521 PWs) bands (ev): -11.4305 -11.4305 0.6526 0.6526 1.4747 1.4747 2.0609 2.0609 13.4986 13.4986 15.3528 15.3528 16.2067 16.2067 18.7282 18.7282 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4122 0.2819 ( 514 PWs) bands (ev): -11.0755 -11.0755 -0.3502 -0.3502 1.6297 1.6297 2.0598 2.0598 14.2892 14.2892 14.6142 14.6142 15.5153 15.5153 20.7133 20.7133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4122 0.4450 ( 522 PWs) bands (ev): -10.3956 -10.3956 -1.4260 -1.4260 1.1572 1.1572 2.1309 2.1309 13.1828 13.1828 15.5282 15.5282 16.1595 16.1595 20.7891 20.7891 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4122 0.6081 ( 525 PWs) bands (ev): -9.4072 -9.4072 -2.3986 -2.3986 -0.3970 -0.3970 2.9810 2.9810 11.5892 11.5892 17.0418 17.0418 17.7316 17.7316 20.1804 20.1804 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4122-1.1856 ( 527 PWs) bands (ev): -8.1404 -8.1404 -3.4324 -3.4324 -1.8992 -1.8992 4.1490 4.1490 9.9595 9.9595 17.8982 17.8982 19.5532 19.5532 19.9699 19.9699 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4122-1.0225 ( 523 PWs) bands (ev): -6.6878 -6.6878 -4.8945 -4.8945 -2.5870 -2.5870 5.4977 5.4977 8.4660 8.4660 17.6326 17.6326 19.7899 19.7899 20.8931 20.8931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4122-0.8595 ( 525 PWs) bands (ev): -6.7938 -6.7938 -4.8090 -4.8090 -2.5696 -2.5696 6.0386 6.0386 8.0633 8.0633 17.5107 17.5107 19.7649 19.7649 19.9188 19.9188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4122-0.6964 ( 528 PWs) bands (ev): -8.2632 -8.2632 -3.3644 -3.3644 -1.8518 -1.8518 4.9788 4.9788 9.4685 9.4685 16.8339 16.8339 19.2924 19.2924 20.0505 20.0505 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4122-0.5333 ( 520 PWs) bands (ev): -9.5228 -9.5228 -2.3312 -2.3312 -0.3566 -0.3566 3.8261 3.8261 11.1038 11.1038 15.2629 15.2629 17.6715 17.6715 20.5668 20.5668 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.4122-0.3703 ( 525 PWs) bands (ev): -10.4897 -10.4897 -1.3502 -1.3502 1.1710 1.1710 2.8537 2.8537 12.6853 12.6853 13.9932 13.9932 15.9428 15.9428 20.9972 20.9972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2602-0.1481 ( 522 PWs) bands (ev): -11.9642 -11.9642 1.2443 1.2443 1.8184 1.8184 2.9375 2.9375 12.1850 12.1850 15.6263 15.6263 16.3717 16.3717 18.1182 18.1182 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2602 0.0149 ( 524 PWs) bands (ev): -12.1252 -12.1252 1.0185 1.0185 2.3915 2.3915 3.0626 3.0626 12.0695 12.0695 15.9544 15.9544 17.0389 17.0389 17.2196 17.2196 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2602 0.1780 ( 518 PWs) bands (ev): -11.9460 -11.9460 1.0900 1.0900 1.7589 1.7589 2.9578 2.9578 12.5161 12.5161 15.6612 15.6612 16.6753 16.6753 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 = 0.0833-0.2602 0.3411 ( 521 PWs) bands (ev): -11.4305 -11.4305 0.6526 0.6526 1.4747 1.4747 2.0610 2.0610 13.4986 13.4986 15.3528 15.3528 16.2067 16.2067 18.7282 18.7282 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2602 0.5041 ( 521 PWs) bands (ev): -10.5888 -10.5888 -0.6602 -0.6602 0.6695 0.6695 2.1814 2.1814 13.5462 13.5462 14.9495 14.9495 17.3434 17.3434 18.8825 18.8825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2602 0.6672 ( 524 PWs) bands (ev): -9.4390 -9.4390 -2.3862 -2.3862 -0.4049 -0.4049 3.1974 3.1974 11.5360 11.5360 16.6820 16.6820 17.5076 17.5076 20.3763 20.3763 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2602-1.1265 ( 523 PWs) bands (ev): -8.0201 -8.0201 -4.3254 -4.3254 -0.9764 -0.9764 4.4252 4.4252 9.6465 9.6465 17.2734 17.2734 18.2042 18.2042 21.2499 21.2500 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2602-0.9634 ( 524 PWs) bands (ev): -6.7641 -6.7641 -5.7825 -5.7825 -1.1503 -1.1503 5.3256 5.3256 8.5405 8.5405 17.1852 17.1852 18.5610 18.5610 21.0974 21.0974 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2602-0.8003 ( 527 PWs) bands (ev): -8.0733 -8.0733 -4.2844 -4.2844 -0.9535 -0.9535 4.7487 4.7487 9.3904 9.3904 17.1447 17.1447 17.7879 17.7879 20.6177 20.6177 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2602-0.6373 ( 526 PWs) bands (ev): -9.4924 -9.4924 -2.3494 -2.3494 -0.3677 -0.3677 3.5845 3.5845 11.2265 11.2265 15.7513 15.7513 17.6477 17.6477 20.4718 20.4718 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2602-0.4742 ( 525 PWs) bands (ev): -10.6354 -10.6354 -0.6113 -0.6113 0.6957 0.6957 2.5446 2.5446 13.1842 13.1842 14.1057 14.1057 17.4217 17.4217 18.8747 18.8747 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0833-0.2602-0.3112 ( 524 PWs) bands (ev): -11.4649 -11.4649 0.7181 0.7181 1.7560 1.7560 2.0609 2.0609 12.8749 12.8749 14.9735 14.9735 16.1652 16.1652 18.6950 18.6950 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2165-0.1780 ( 521 PWs) bands (ev): -11.9458 -11.9458 1.0873 1.0873 1.8139 1.8139 2.9375 2.9375 12.5143 12.5143 15.6250 15.6250 16.4012 16.4012 18.1189 18.1189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2165-0.0149 ( 524 PWs) bands (ev): -12.1252 -12.1252 1.0185 1.0185 2.3915 2.3915 3.0626 3.0626 12.0695 12.0695 15.9544 15.9544 17.0389 17.0389 17.2196 17.2196 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2165 0.1481 ( 524 PWs) bands (ev): -11.9645 -11.9645 1.2478 1.2478 1.7547 1.7547 2.9607 2.9607 12.1856 12.1856 15.6748 15.6748 16.6780 16.6780 18.1666 18.1666 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2165 0.3112 ( 521 PWs) bands (ev): -11.4653 -11.4653 0.6452 0.6452 1.7634 1.7634 2.0669 2.0669 12.8763 12.8763 15.3954 15.3954 16.1984 16.1984 18.7352 18.7352 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2165 0.4742 ( 523 PWs) bands (ev): -10.6360 -10.6360 -0.6607 -0.6607 0.6716 0.6716 2.5551 2.5551 13.5376 13.5376 14.1150 14.1150 17.3277 17.3277 18.9227 18.9227 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2165 0.6373 ( 521 PWs) bands (ev): -9.4930 -9.4930 -2.3652 -2.3652 -0.4175 -0.4175 3.5959 3.5959 11.4539 11.4539 15.7953 15.7953 17.4532 17.4532 20.5512 20.5512 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2165-1.1564 ( 521 PWs) bands (ev): -8.0740 -8.0740 -4.2890 -4.2890 -0.9970 -0.9970 4.7548 4.7548 9.5196 9.5196 17.1957 17.1957 17.6921 17.6921 21.1123 21.1123 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2165-0.9933 ( 520 PWs) bands (ev): -6.7640 -6.7640 -5.7846 -5.7846 -1.1738 -1.1738 5.3254 5.3254 8.6051 8.6051 17.1173 17.1173 18.7606 18.7606 21.1188 21.1188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2165-0.8302 ( 523 PWs) bands (ev): -8.0200 -8.0200 -4.3254 -4.3254 -0.9764 -0.9764 4.4259 4.4259 9.6461 9.6461 17.1706 17.1706 18.3273 18.3273 21.2771 21.2771 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2165-0.6672 ( 529 PWs) bands (ev): -9.4387 -9.4387 -2.3805 -2.3805 -0.3868 -0.3868 3.1939 3.1939 11.4506 11.4506 16.5666 16.5666 17.6585 17.6585 20.3669 20.3669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2165-0.5041 ( 523 PWs) bands (ev): -10.5885 -10.5885 -0.6316 -0.6316 0.6835 0.6835 2.1759 2.1759 13.3404 13.3404 14.9266 14.9266 17.3863 17.3863 18.8694 18.8694 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.2165-0.3411 ( 524 PWs) bands (ev): -11.4303 -11.4303 0.7063 0.7063 1.4694 1.4694 2.0565 2.0565 13.4907 13.4907 15.0636 15.0636 16.1570 16.1570 18.6995 18.6995 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0646-0.1189 ( 525 PWs) bands (ev): -12.4203 -12.4203 0.3369 0.3369 3.4432 3.4432 3.7401 3.7401 12.3228 12.3228 15.6524 15.6524 16.2555 16.2555 18.0455 18.0455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0646 0.0442 ( 523 PWs) bands (ev): -12.4429 -12.4429 0.5208 0.5208 3.4182 3.4182 3.7576 3.7576 11.9194 11.9194 15.6368 15.6368 16.3010 16.3010 18.0974 18.0974 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0646 0.2072 ( 524 PWs) bands (ev): -12.1252 -12.1252 1.0185 1.0185 2.3915 2.3915 3.0626 3.0626 12.0695 12.0695 15.9543 15.9543 17.0389 17.0389 17.2196 17.2196 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0646 0.3703 ( 519 PWs) bands (ev): -11.4697 -11.4697 0.7039 0.7039 1.7992 1.7992 2.0345 2.0345 12.7936 12.7936 15.1465 15.1465 16.1026 16.1026 18.8132 18.8132 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0646 0.5333 ( 521 PWs) bands (ev): -10.4858 -10.4858 -1.3591 -1.3591 1.1302 1.1302 2.8227 2.8227 12.8330 12.8330 14.0735 14.0735 15.8688 15.8688 21.0843 21.0843 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0646 0.6964 ( 523 PWs) bands (ev): -9.1937 -9.1937 -3.4854 -3.4854 0.4873 0.4873 3.9934 3.9934 10.5485 10.5485 15.4282 15.4282 16.0186 16.0186 22.9024 22.9024 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0646-1.0972 ( 524 PWs) bands (ev): -7.6641 -7.6641 -5.4519 -5.4519 0.1581 0.1581 4.8847 4.8847 8.9575 8.9575 15.3531 15.3531 18.0669 18.0669 21.7331 21.7331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0646-0.9342 ( 521 PWs) bands (ev): -7.5484 -7.5484 -5.5500 -5.5500 0.1631 0.1631 4.4019 4.4019 9.2848 9.2848 15.3611 15.3611 19.6890 19.6890 20.9601 20.9601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0646-0.7711 ( 524 PWs) bands (ev): -9.0606 -9.0606 -3.5692 -3.5692 0.5011 0.5011 3.0982 3.0982 11.0002 11.0002 15.5259 15.5259 18.3411 18.3411 22.0112 22.0112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0646-0.6081 ( 521 PWs) bands (ev): -10.3614 -10.3614 -1.4117 -1.4117 1.1488 1.1488 1.8967 1.8967 13.1005 13.1005 15.7203 15.7203 16.5453 16.5453 20.8569 20.8569 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0646-0.4450 ( 525 PWs) bands (ev): -11.3689 -11.3689 0.6860 0.6860 1.0140 1.0140 2.0488 2.0488 14.5659 14.5659 15.2339 15.2339 16.1565 16.1565 18.7081 18.7081 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.0646-0.2819 ( 523 PWs) bands (ev): -12.0597 -12.0597 0.4948 0.4948 2.4090 2.4090 3.0573 3.0573 13.2371 13.2371 15.9826 15.9826 16.9602 16.9602 17.1345 17.1345 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0874-0.0598 ( 531 PWs) bands (ev): -12.5562 -12.5562 -0.0850 -0.0850 4.0779 4.0779 4.0937 4.0937 12.6656 12.6656 15.5415 15.5415 15.5800 15.5800 18.6594 18.6594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0874 0.1033 ( 525 PWs) bands (ev): -12.4203 -12.4203 0.3369 0.3369 3.4431 3.4431 3.7401 3.7401 12.3228 12.3228 15.6524 15.6524 16.2555 16.2555 18.0455 18.0455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0874 0.2663 ( 521 PWs) bands (ev): -11.9458 -11.9458 1.0873 1.0873 1.8138 1.8138 2.9375 2.9375 12.5143 12.5143 15.6250 15.6250 16.4012 16.4012 18.1190 18.1190 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0874 0.4294 ( 522 PWs) bands (ev): -11.1369 -11.1369 -0.2758 -0.2758 2.0463 2.0463 2.1164 2.1164 13.2601 13.2601 14.1298 14.1298 15.3688 15.3688 20.6908 20.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0874 0.5925 ( 527 PWs) bands (ev): -10.0050 -10.0050 -2.4738 -2.4738 1.3042 1.3042 3.3400 3.3400 11.6659 11.6659 14.4939 14.4939 15.1376 15.1376 23.5479 23.5479 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0874 0.7555 ( 527 PWs) bands (ev): -8.5801 -8.5801 -4.5775 -4.5775 0.8256 0.8256 4.5071 4.5071 9.5618 9.5618 14.7250 14.7250 16.5071 16.5071 22.8580 22.8580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0874-1.0381 ( 524 PWs) bands (ev): -7.1920 -7.1920 -6.1815 -6.1815 0.6615 0.6615 4.6556 4.6556 8.9508 8.9508 14.6527 14.6527 18.7117 18.7117 21.6575 21.6575 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0874-0.8751 ( 525 PWs) bands (ev): -8.3926 -8.3926 -4.7167 -4.7167 0.8258 0.8258 3.4222 3.4222 10.2780 10.2780 14.7349 14.7349 19.9931 19.9931 21.2428 21.2428 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0874-0.7120 ( 520 PWs) bands (ev): -9.8161 -9.8161 -2.5771 -2.5771 1.3044 1.3044 2.0302 2.0302 12.3123 12.3123 14.9643 14.9643 18.3215 18.3215 22.6959 22.6959 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0874-0.5490 ( 521 PWs) bands (ev): -10.9713 -10.9713 -0.3388 -0.3388 0.9204 0.9204 2.0467 2.0467 14.4851 14.4851 15.2664 15.2664 16.5325 16.5325 20.6915 20.6915 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0874-0.3859 ( 521 PWs) bands (ev): -11.8231 -11.8231 0.1902 0.1902 1.7846 1.7846 2.9372 2.9372 14.7030 14.7030 15.6562 15.6562 16.5958 16.5958 18.1217 18.1217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0874-0.2228 ( 528 PWs) bands (ev): -12.3551 -12.3551 -0.1420 -0.1420 3.4348 3.4348 3.7400 3.7400 13.4926 13.4926 15.6430 15.6430 16.2536 16.2536 18.0968 18.0968 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2394-0.0007 ( 528 PWs) bands (ev): -12.3551 -12.3551 -0.1420 -0.1420 3.4348 3.4348 3.7399 3.7399 13.4926 13.4926 15.6431 15.6431 16.2535 16.2535 18.0968 18.0968 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2394 0.1624 ( 523 PWs) bands (ev): -12.0597 -12.0597 0.4948 0.4948 2.4090 2.4090 3.0573 3.0573 13.2371 13.2371 15.9826 15.9826 16.9602 16.9602 17.1345 17.1345 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2394 0.3255 ( 524 PWs) bands (ev): -11.4303 -11.4303 0.7063 0.7063 1.4694 1.4694 2.0565 2.0565 13.4907 13.4907 15.0636 15.0636 16.1570 16.1570 18.6995 18.6995 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2394 0.4885 ( 522 PWs) bands (ev): -10.4729 -10.4729 -1.3586 -1.3586 1.1682 1.1682 2.7129 2.7129 12.7301 12.7301 14.3000 14.3000 15.9449 15.9449 20.9777 20.9777 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2394 0.6516 ( 527 PWs) bands (ev): -9.2047 -9.2047 -3.4744 -3.4744 0.5314 0.5314 4.0751 4.0751 10.4183 10.4183 15.4234 15.4234 15.8932 15.8932 22.0935 22.0935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2394 0.8146 ( 527 PWs) bands (ev): -7.6911 -7.6911 -5.4247 -5.4247 0.2012 0.2012 4.9731 4.9731 8.8811 8.8811 15.4433 15.4433 17.5526 17.5526 21.0952 21.0952 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2394-0.9790 ( 525 PWs) bands (ev): -7.5026 -7.5026 -5.5836 -5.5836 0.2001 0.2001 4.1836 4.1836 9.4685 9.4685 15.4451 15.4451 19.6275 19.6275 20.5084 20.5084 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2394-0.8160 ( 522 PWs) bands (ev): -8.9855 -8.9855 -3.6117 -3.6117 0.5284 0.5284 2.6630 2.6630 11.2666 11.2666 15.5963 15.5963 19.5854 19.5854 21.4542 21.4542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2394-0.6529 ( 524 PWs) bands (ev): -10.2660 -10.2660 -1.4498 -1.4498 1.1625 1.1625 1.3136 1.3136 13.3365 13.3365 15.8533 15.8533 18.3426 18.3426 20.6797 20.6797 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2394-0.4898 ( 521 PWs) bands (ev): -11.2611 -11.2611 0.3269 0.3269 0.6594 0.6594 2.0503 2.0503 15.3430 15.3430 16.0486 16.0486 16.8615 16.8615 18.6709 18.6709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2394-0.3268 ( 523 PWs) bands (ev): -11.9489 -11.9489 -0.2455 -0.2455 2.3923 2.3923 3.0521 3.0521 15.2784 15.2784 15.9837 15.9837 17.0778 17.0778 17.1801 17.1801 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2394-0.1637 ( 530 PWs) bands (ev): -12.3166 -12.3166 -0.3979 -0.3979 3.4295 3.4295 3.7404 3.7404 14.2074 14.2074 15.6355 15.6355 16.2565 16.2565 18.1310 18.1310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3913 0.0584 ( 521 PWs) bands (ev): -11.8231 -11.8231 0.1902 0.1902 1.7847 1.7847 2.9372 2.9372 14.7030 14.7030 15.6562 15.6562 16.5958 16.5958 18.1217 18.1217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3913 0.2215 ( 525 PWs) bands (ev): -11.3689 -11.3689 0.6860 0.6860 1.0140 1.0140 2.0488 2.0488 14.5659 14.5659 15.2339 15.2339 16.1565 16.1565 18.7081 18.7081 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3913 0.3846 ( 523 PWs) bands (ev): -10.5885 -10.5885 -0.6316 -0.6316 0.6835 0.6835 2.1759 2.1759 13.3404 13.3404 14.9266 14.9266 17.3863 17.3863 18.8694 18.8694 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3913 0.5476 ( 526 PWs) bands (ev): -9.4924 -9.4924 -2.3494 -2.3494 -0.3677 -0.3677 3.5845 3.5845 11.2265 11.2265 15.7513 15.7513 17.6477 17.6477 20.4719 20.4719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3913 0.7107 ( 527 PWs) bands (ev): -8.1116 -8.1116 -4.2539 -4.2539 -0.9365 -0.9365 4.9910 4.9910 9.2306 9.2306 16.9982 16.9982 17.5463 17.5463 19.9542 19.9542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667 0.3913 0.8737 ( 525 PWs) bands (ev): -6.7708 -6.7708 -5.7695 -5.7695 -1.1174 -1.1174 5.2343 5.2343 8.6199 8.6199 17.3515 17.3515 18.7162 18.7162 19.3714 19.3714 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3913-0.9199 ( 530 PWs) bands (ev): -7.9087 -7.9087 -4.3958 -4.3958 -0.9338 -0.9338 3.7957 3.7957 9.9822 9.9822 17.4392 17.4392 19.0643 19.0643 20.3562 20.3562 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3913-0.7568 ( 527 PWs) bands (ev): -9.2845 -9.2845 -2.4431 -2.4431 -0.3682 -0.3682 2.2426 2.2426 11.7735 11.7735 17.5893 17.5893 19.0910 19.0910 19.9249 19.9249 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3913-0.5938 ( 529 PWs) bands (ev): -10.4038 -10.4038 -0.6609 -0.6609 0.6659 0.6659 0.9967 0.9967 13.5642 13.5642 17.2078 17.2078 18.5995 18.5995 18.8061 18.8061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3913-0.4307 ( 527 PWs) bands (ev): -11.2307 -11.2307 0.1514 0.1514 0.6949 0.6949 2.0295 2.0295 15.1960 15.1960 15.9986 15.9986 17.5428 17.5428 18.6972 18.6972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3913-0.2677 ( 527 PWs) bands (ev): -11.7492 -11.7492 -0.2632 -0.2632 1.7993 1.7993 2.9263 2.9263 15.4778 15.4778 16.2394 16.2394 16.6787 16.6787 18.0946 18.0946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3913-0.1046 ( 523 PWs) bands (ev): -11.9489 -11.9489 -0.2455 -0.2455 2.3923 2.3923 3.0521 3.0521 15.2784 15.2784 15.9837 15.9837 17.0778 17.0778 17.1800 17.1800 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.5433 0.1176 ( 521 PWs) bands (ev): -10.9713 -10.9713 -0.3388 -0.3388 0.9204 0.9204 2.0466 2.0466 14.4851 14.4851 15.2664 15.2664 16.5325 16.5325 20.6915 20.6915 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.5433 0.2806 ( 521 PWs) bands (ev): -10.3614 -10.3614 -1.4117 -1.4117 1.1487 1.1487 1.8967 1.8967 13.1005 13.1005 15.7203 15.7203 16.5453 16.5453 20.8569 20.8569 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.5433 0.4437 ( 529 PWs) bands (ev): -9.4387 -9.4387 -2.3805 -2.3805 -0.3868 -0.3868 3.1939 3.1939 11.4506 11.4506 16.5666 16.5666 17.6585 17.6585 20.3669 20.3669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.5433 0.6067 ( 529 PWs) bands (ev): -8.2240 -8.2240 -3.3932 -3.3932 -1.8722 -1.8722 4.6994 4.6994 9.6685 9.6685 17.1345 17.1345 19.6342 19.6342 20.1761 20.1761 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.5433 0.7698 ( 525 PWs) bands (ev): -6.7938 -6.7938 -4.8090 -4.8090 -2.5696 -2.5696 6.0386 6.0386 8.0633 8.0633 17.5107 17.5107 19.7650 19.7650 19.9188 19.9188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.5433 0.9329 ( 524 PWs) bands (ev): -6.6544 -6.6544 -4.9131 -4.9131 -2.5690 -2.5690 5.3124 5.3124 8.5146 8.5146 17.8193 17.8193 19.9031 19.9031 20.1573 20.1573 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.5433-0.8608 ( 528 PWs) bands (ev): -8.0583 -8.0583 -3.4340 -3.4340 -1.8966 -1.8966 3.6605 3.6605 9.9468 9.9468 18.5248 18.5248 19.2167 19.2167 20.1629 20.1629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.5433-0.6977 ( 523 PWs) bands (ev): -9.2794 -9.2794 -2.3525 -2.3525 -0.4294 -0.4294 2.2048 2.2048 11.3833 11.3833 17.2791 17.2791 19.2696 19.2696 20.5654 20.5654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.5433-0.5347 ( 523 PWs) bands (ev): -10.2295 -10.2295 -1.3607 -1.3607 1.1023 1.1023 1.1212 1.1212 12.8099 12.8099 15.6880 15.6880 19.2368 19.2368 20.9811 20.9811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.5433-0.3716 ( 527 PWs) bands (ev): -10.8843 -10.8843 -0.2846 -0.2846 0.4108 0.4108 2.0255 2.0255 14.1723 14.1723 15.1893 15.1893 18.4752 18.4752 20.6528 20.6528 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.5433-0.2086 ( 527 PWs) bands (ev): -11.2307 -11.2307 0.1514 0.1514 0.6949 0.6949 2.0295 2.0295 15.1960 15.1960 15.9986 15.9986 17.5428 17.5428 18.6972 18.6972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.5433-0.0455 ( 521 PWs) bands (ev): -11.2611 -11.2611 0.3269 0.3269 0.6595 0.6595 2.0503 2.0503 15.3430 15.3430 16.0486 16.0486 16.8615 16.8615 18.6709 18.6709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-1.1283-0.5327 ( 520 PWs) bands (ev): -9.8161 -9.8161 -2.5771 -2.5771 1.3044 1.3044 2.0302 2.0302 12.3123 12.3123 14.9643 14.9643 18.3215 18.3215 22.6959 23.5476 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-1.1283-0.3696 ( 524 PWs) bands (ev): -9.0606 -9.0606 -3.5692 -3.5692 0.5011 0.5011 3.0982 3.0982 11.0002 11.0002 15.5259 15.5259 18.3411 18.3411 22.0112 22.0112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-1.1283-0.2066 ( 523 PWs) bands (ev): -8.0200 -8.0200 -4.3254 -4.3254 -0.9765 -0.9765 4.4259 4.4259 9.6461 9.6461 17.1706 17.1706 18.3273 18.3273 21.2771 21.2771 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-1.1283-0.0435 ( 518 PWs) bands (ev): -6.7553 -6.7553 -4.8470 -4.8470 -2.5958 -2.5958 5.8562 5.8562 8.2773 8.2773 17.4996 17.4996 19.7793 19.7793 21.0038 21.0038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-1.1283 0.1195 ( 524 PWs) bands (ev): -5.5191 -5.5191 -5.4544 -5.4544 -3.5182 -3.5182 6.7856 6.7856 7.2216 7.2216 17.2263 17.2263 20.7593 20.7593 21.5174 21.5174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-1.1283 0.2826 ( 528 PWs) bands (ev): -6.6604 -6.6604 -4.8284 -4.8284 -2.6405 -2.6405 5.2746 5.2746 8.3080 8.3080 17.7972 17.7972 19.3233 19.3233 22.1057 22.1057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-1.1283-1.5110 ( 525 PWs) bands (ev): -7.9201 -7.9201 -4.2623 -4.2623 -1.0142 -1.0142 3.8010 3.8010 9.3099 9.3099 17.0536 17.0536 19.1337 19.1337 22.6781 22.6781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-1.1283-1.3480 ( 524 PWs) bands (ev): -8.9707 -8.9707 -3.4794 -3.4794 0.4764 0.4764 2.5483 2.5483 10.3891 10.3891 15.3761 15.3761 19.9294 19.9294 23.3849 23.3849 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-1.1283-1.1849 ( 524 PWs) bands (ev): -9.7484 -9.7484 -2.4769 -2.4769 1.2787 1.2787 1.6283 1.6283 11.6040 11.6040 14.8081 14.8081 19.8618 19.8618 23.5092 23.5092 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-1.1283-1.0219 ( 523 PWs) bands (ev): -10.2295 -10.2295 -1.3607 -1.3607 1.1023 1.1023 1.1212 1.1212 12.8099 12.8099 15.6880 15.6880 19.2368 19.2368 20.9810 20.9810 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-1.1283-0.8588 ( 529 PWs) bands (ev): -10.4038 -10.4038 -0.6608 -0.6608 0.6659 0.6659 0.9967 0.9967 13.5642 13.5642 17.2078 17.2078 18.5995 18.5995 18.8061 18.8061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-1.1283-0.6957 ( 524 PWs) bands (ev): -10.2660 -10.2660 -1.4498 -1.4498 1.1625 1.1625 1.3136 1.3136 13.3365 13.3365 15.8533 15.8533 18.3426 18.3426 20.6796 20.6796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9764-0.4736 ( 525 PWs) bands (ev): -8.3926 -8.3926 -4.7167 -4.7167 0.8258 0.8258 3.4222 3.4222 10.2780 10.2780 14.7349 14.7349 19.9931 19.9931 21.2428 21.2428 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9764-0.3105 ( 521 PWs) bands (ev): -7.5484 -7.5484 -5.5499 -5.5499 0.1631 0.1631 4.4019 4.4019 9.2848 9.2848 15.3611 15.3611 19.6890 19.6890 20.9601 20.9601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9764-0.1475 ( 520 PWs) bands (ev): -6.7641 -6.7641 -5.7846 -5.7846 -1.1739 -1.1739 5.3254 5.3254 8.6051 8.6051 17.1173 17.1173 18.7606 18.7606 21.1188 21.1188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9764 0.0156 ( 514 PWs) bands (ev): -6.7331 -6.7331 -4.8684 -4.8684 -2.6105 -2.6105 5.7423 5.7423 8.4198 8.4198 17.6767 17.6767 19.5563 19.5563 21.4296 21.4296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9764 0.1787 ( 519 PWs) bands (ev): -6.7068 -6.7068 -4.8540 -4.8540 -2.6216 -2.6216 5.5656 5.5656 8.3839 8.3839 17.6485 17.6485 19.6330 19.6330 21.3093 21.3093 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9764 0.3417 ( 521 PWs) bands (ev): -6.7087 -6.7087 -5.7441 -5.7441 -1.1852 -1.1852 4.9863 4.9863 8.3213 8.3213 17.0203 17.0203 18.9346 18.9346 22.2334 22.2334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9764-1.4519 ( 521 PWs) bands (ev): -7.5162 -7.5162 -5.4484 -5.4484 0.1522 0.1522 4.1170 4.1170 8.6138 8.6138 15.2450 15.2450 20.0492 20.0492 23.0365 23.0365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9764-1.2889 ( 521 PWs) bands (ev): -8.3693 -8.3693 -4.5875 -4.5875 0.8028 0.8028 3.2260 3.2260 9.3556 9.3556 14.5732 14.5732 20.3711 20.3711 24.1133 24.1134 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9764-1.1258 ( 524 PWs) bands (ev): -8.9707 -8.9707 -3.4794 -3.4794 0.4764 0.4764 2.5483 2.5483 10.3891 10.3891 15.3761 15.3761 19.9294 19.9294 23.3849 23.3849 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9764-0.9627 ( 523 PWs) bands (ev): -9.2794 -9.2794 -2.3524 -2.3524 -0.4294 -0.4294 2.2048 2.2048 11.3833 11.3833 17.2791 17.2791 19.2696 19.2696 20.5654 20.5654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9764-0.7997 ( 527 PWs) bands (ev): -9.2845 -9.2845 -2.4431 -2.4431 -0.3682 -0.3682 2.2426 2.2426 11.7735 11.7735 17.5893 17.5893 19.0910 19.0910 19.9249 19.9249 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.9764-0.6366 ( 522 PWs) bands (ev): -8.9855 -8.9855 -3.6117 -3.6117 0.5283 0.5283 2.6630 2.6630 11.2666 11.2666 15.5963 15.5963 19.5853 19.5853 21.4543 21.4543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8244-0.4145 ( 524 PWs) bands (ev): -7.1921 -7.1921 -6.1815 -6.1815 0.6614 0.6614 4.6556 4.6556 8.9508 8.9508 14.6527 14.6527 18.7117 18.7117 21.6575 21.6575 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8244-0.2514 ( 524 PWs) bands (ev): -7.6641 -7.6641 -5.4519 -5.4519 0.1581 0.1581 4.8847 4.8847 8.9575 8.9575 15.3531 15.3531 18.0669 18.0669 21.7331 21.7331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8244-0.0883 ( 521 PWs) bands (ev): -8.0740 -8.0740 -4.2890 -4.2890 -0.9970 -0.9970 4.7548 4.7548 9.5196 9.5196 17.1957 17.1957 17.6921 17.6921 21.1123 21.1123 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8244 0.0747 ( 523 PWs) bands (ev): -8.1987 -8.1987 -3.4323 -3.4323 -1.8987 -1.8987 4.5343 4.5343 9.9569 9.9569 17.5598 17.5598 19.3997 19.3997 19.9221 19.9221 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8244 0.2378 ( 523 PWs) bands (ev): -8.0202 -8.0202 -4.3258 -4.3258 -0.9758 -0.9758 4.4238 4.4238 9.6515 9.6515 17.2037 17.2037 18.3644 18.3644 20.9144 20.9144 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8244 0.4008 ( 525 PWs) bands (ev): -7.5677 -7.5677 -5.4876 -5.4876 0.1674 0.1674 4.4280 4.4280 8.8961 8.8961 15.3352 15.3352 19.5012 19.5012 21.6551 21.6551 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8244-1.3928 ( 530 PWs) bands (ev): -7.1286 -7.1286 -6.1473 -6.1473 0.6483 0.6483 4.3774 4.3774 8.4129 8.4129 14.5529 14.5529 20.4079 20.4079 22.1814 22.1814 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8244-1.2297 ( 521 PWs) bands (ev): -7.5162 -7.5162 -5.4484 -5.4484 0.1522 0.1522 4.1170 4.1170 8.6138 8.6138 15.2450 15.2450 20.0492 20.0492 23.0365 23.0365 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8244-1.0667 ( 525 PWs) bands (ev): -7.9201 -7.9201 -4.2623 -4.2623 -1.0142 -1.0142 3.8010 3.8010 9.3099 9.3099 17.0536 17.0536 19.1337 19.1337 22.6780 22.6780 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8244-0.9036 ( 528 PWs) bands (ev): -8.0583 -8.0583 -3.4340 -3.4340 -1.8966 -1.8966 3.6605 3.6605 9.9468 9.9468 18.5248 18.5248 19.2167 19.2167 20.1628 20.1628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8244-0.7406 ( 530 PWs) bands (ev): -7.9087 -7.9087 -4.3958 -4.3958 -0.9338 -0.9338 3.7957 3.7957 9.9822 9.9822 17.4392 17.4392 19.0643 19.0643 20.3562 20.3562 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.8244-0.5775 ( 525 PWs) bands (ev): -7.5026 -7.5026 -5.5836 -5.5836 0.2000 0.2000 4.1836 4.1836 9.4685 9.4685 15.4451 15.4451 19.6275 19.6275 20.5084 20.5084 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.6724-0.3553 ( 527 PWs) bands (ev): -8.5801 -8.5801 -4.5775 -4.5775 0.8256 0.8256 4.5071 4.5071 9.5618 9.5618 14.7250 14.7250 16.5071 16.5071 22.8580 22.8581 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.6724-0.1923 ( 523 PWs) bands (ev): -9.1937 -9.1937 -3.4853 -3.4853 0.4873 0.4873 3.9934 3.9934 10.5485 10.5485 15.4282 15.4282 16.0186 16.0186 22.9024 22.9024 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.6724-0.0292 ( 521 PWs) bands (ev): -9.4930 -9.4930 -2.3652 -2.3652 -0.4175 -0.4175 3.5959 3.5959 11.4539 11.4539 15.7953 15.7953 17.4532 17.4532 20.5512 20.5512 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.6724 0.1338 ( 526 PWs) bands (ev): -9.4686 -9.4686 -2.4217 -2.4217 -0.3800 -0.3800 3.4171 3.4171 11.6816 11.6816 16.1789 16.1789 17.6868 17.6868 20.0390 20.0390 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 = 0.1667-0.6724 0.2969 ( 525 PWs) bands (ev): -9.1234 -9.1234 -3.5685 -3.5685 0.5168 0.5168 3.5076 3.5076 10.9959 10.9959 15.5809 15.5809 17.2422 17.2422 21.7211 21.7211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.6724 0.4599 ( 533 PWs) bands (ev): -8.4739 -8.4739 -4.6595 -4.6595 0.8263 0.8263 3.8684 3.8684 9.8965 9.8965 14.7344 14.7344 18.5249 18.5249 21.9398 21.9398 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.6724-1.3337 ( 525 PWs) bands (ev): -7.5677 -7.5677 -5.4876 -5.4876 0.1674 0.1674 4.4280 4.4280 8.8961 8.8961 15.3352 15.3352 19.5012 19.5012 21.6551 21.6551 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.6724-1.1706 ( 521 PWs) bands (ev): -6.7087 -6.7087 -5.7441 -5.7441 -1.1852 -1.1852 4.9863 4.9863 8.3213 8.3213 17.0203 17.0203 18.9346 18.9346 22.2334 22.2334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.6724-1.0076 ( 528 PWs) bands (ev): -6.6604 -6.6604 -4.8284 -4.8284 -2.6406 -2.6406 5.2746 5.2746 8.3080 8.3080 17.7972 17.7972 19.3232 19.3232 22.1057 22.1057 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.6724-0.8445 ( 524 PWs) bands (ev): -6.6544 -6.6544 -4.9130 -4.9130 -2.5690 -2.5690 5.3124 5.3124 8.5146 8.5146 17.8193 17.8193 19.9031 19.9031 20.1573 20.1573 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.6724-0.6815 ( 525 PWs) bands (ev): -6.7709 -6.7709 -5.7694 -5.7694 -1.1174 -1.1174 5.2343 5.2343 8.6199 8.6199 17.3514 17.3514 18.7162 18.7162 19.3714 19.3714 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.6724-0.5184 ( 527 PWs) bands (ev): -7.6911 -7.6911 -5.4247 -5.4247 0.2012 0.2012 4.9731 4.9731 8.8811 8.8811 15.4433 15.4433 17.5526 17.5526 21.0952 21.0952 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5205-0.2962 ( 527 PWs) bands (ev): -10.0050 -10.0050 -2.4738 -2.4738 1.3042 1.3042 3.3400 3.3400 11.6659 11.6659 14.4939 14.4939 15.1376 15.1376 23.5478 23.5478 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5205-0.1332 ( 521 PWs) bands (ev): -10.4858 -10.4858 -1.3591 -1.3591 1.1301 1.1301 2.8227 2.8227 12.8330 12.8330 14.0735 14.0735 15.8688 15.8688 21.0843 21.0843 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5205 0.0299 ( 523 PWs) bands (ev): -10.6360 -10.6360 -0.6607 -0.6607 0.6716 0.6716 2.5551 2.5551 13.5376 13.5376 14.1150 14.1150 17.3277 17.3277 18.9227 18.9227 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5205 0.1929 ( 519 PWs) bands (ev): -10.4535 -10.4535 -1.4494 -1.4494 1.1707 1.1707 2.5671 2.5671 13.3271 13.3271 14.6518 14.6518 16.0367 16.0367 20.7174 20.7174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5205 0.3560 ( 520 PWs) bands (ev): -9.9444 -9.9444 -2.5764 -2.5764 1.3182 1.3182 2.8822 2.8822 12.3183 12.3183 14.9776 14.9776 15.9039 15.9039 22.5586 23.5668 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5205 0.5191 ( 525 PWs) bands (ev): -9.1234 -9.1234 -3.5685 -3.5685 0.5168 0.5168 3.5076 3.5076 10.9959 10.9959 15.5809 15.5809 17.2422 17.2422 21.7211 21.7211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5205-1.2746 ( 523 PWs) bands (ev): -8.0202 -8.0202 -4.3258 -4.3258 -0.9758 -0.9758 4.4238 4.4238 9.6515 9.6515 17.2038 17.2038 18.3644 18.3644 20.9144 20.9144 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5205-1.1115 ( 519 PWs) bands (ev): -6.7068 -6.7068 -4.8540 -4.8540 -2.6216 -2.6216 5.5656 5.5656 8.3839 8.3839 17.6485 17.6485 19.6330 19.6330 21.3093 21.3093 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5205-0.9485 ( 524 PWs) bands (ev): -5.5191 -5.5191 -5.4544 -5.4544 -3.5182 -3.5182 6.7856 6.7856 7.2216 7.2216 17.2263 17.2263 20.7593 20.7593 21.5174 21.5174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0003 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5205-0.7854 ( 525 PWs) bands (ev): -6.7938 -6.7938 -4.8090 -4.8090 -2.5696 -2.5696 6.0386 6.0386 8.0633 8.0633 17.5107 17.5107 19.7650 19.7650 19.9188 19.9188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5205-0.6223 ( 527 PWs) bands (ev): -8.1116 -8.1116 -4.2539 -4.2539 -0.9366 -0.9366 4.9910 4.9910 9.2306 9.2306 16.9982 16.9982 17.5463 17.5463 19.9542 19.9542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.5205-0.4593 ( 527 PWs) bands (ev): -9.2047 -9.2047 -3.4744 -3.4744 0.5314 0.5314 4.0751 4.0751 10.4183 10.4183 15.4234 15.4234 15.8932 15.8932 22.0935 22.0935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3685-0.2371 ( 522 PWs) bands (ev): -11.1368 -11.1368 -0.2758 -0.2758 2.0462 2.0462 2.1164 2.1164 13.2601 13.2601 14.1298 14.1298 15.3688 15.3688 20.6908 20.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3685-0.0741 ( 519 PWs) bands (ev): -11.4697 -11.4697 0.7040 0.7040 1.7992 1.7992 2.0344 2.0344 12.7936 12.7936 15.1465 15.1465 16.1026 16.1026 18.8131 18.8131 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3685 0.0890 ( 521 PWs) bands (ev): -11.4653 -11.4653 0.6452 0.6452 1.7634 1.7634 2.0669 2.0669 12.8763 12.8763 15.3954 15.3954 16.1984 16.1984 18.7352 18.7352 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3685 0.2521 ( 517 PWs) bands (ev): -11.1242 -11.1242 -0.3674 -0.3674 2.0162 2.0162 2.0690 2.0690 13.4983 13.4983 14.6905 14.6905 15.4877 15.4877 20.7300 20.7300 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3685 0.4151 ( 519 PWs) bands (ev): -10.4535 -10.4535 -1.4495 -1.4495 1.1707 1.1707 2.5671 2.5671 13.3271 13.3271 14.6518 14.6518 16.0367 16.0367 20.7174 20.7174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3685 0.5782 ( 526 PWs) bands (ev): -9.4686 -9.4686 -2.4217 -2.4217 -0.3799 -0.3799 3.4171 3.4171 11.6816 11.6816 16.1789 16.1789 17.6868 17.6868 20.0390 20.0390 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 = 0.1667-0.3685-1.2155 ( 523 PWs) bands (ev): -8.1987 -8.1987 -3.4323 -3.4323 -1.8987 -1.8987 4.5343 4.5343 9.9569 9.9569 17.5598 17.5598 19.3997 19.3997 19.9221 19.9221 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3685-1.0524 ( 514 PWs) bands (ev): -6.7331 -6.7331 -4.8684 -4.8684 -2.6105 -2.6105 5.7423 5.7423 8.4198 8.4198 17.6767 17.6767 19.5563 19.5563 21.4296 21.4296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3685-0.8894 ( 518 PWs) bands (ev): -6.7553 -6.7553 -4.8470 -4.8470 -2.5958 -2.5958 5.8562 5.8562 8.2773 8.2773 17.4997 17.4997 19.7793 19.7793 21.0038 21.0038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3685-0.7263 ( 529 PWs) bands (ev): -8.2240 -8.2240 -3.3932 -3.3932 -1.8722 -1.8722 4.6994 4.6994 9.6685 9.6685 17.1345 17.1345 19.6342 19.6342 20.1761 20.1761 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3685-0.5632 ( 526 PWs) bands (ev): -9.4924 -9.4924 -2.3494 -2.3494 -0.3677 -0.3677 3.5845 3.5845 11.2265 11.2265 15.7513 15.7513 17.6477 17.6477 20.4719 20.4719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1667-0.3685-0.4002 ( 522 PWs) bands (ev): -10.4729 -10.4729 -1.3586 -1.3586 1.1682 1.1682 2.7129 2.7129 12.7301 12.7301 14.3000 14.3000 15.9449 15.9449 20.9777 20.9777 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3248-0.2670 ( 520 PWs) bands (ev): -11.1028 -11.1028 -0.2892 -0.2892 1.8356 1.8356 2.0469 2.0469 13.7787 13.7787 14.3023 14.3023 15.3820 15.3820 20.6908 20.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3248-0.1040 ( 522 PWs) bands (ev): -11.4518 -11.4518 0.7000 0.7000 1.6460 1.6460 2.0358 2.0358 13.1125 13.1125 15.1678 15.1678 16.1099 16.1099 18.8014 18.8014 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3248 0.0591 ( 521 PWs) bands (ev): -11.4653 -11.4653 0.6452 0.6452 1.7634 1.7634 2.0669 2.0669 12.8763 12.8763 15.3954 15.3954 16.1984 16.1984 18.7352 18.7352 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3248 0.2222 ( 520 PWs) bands (ev): -11.1418 -11.1418 -0.3738 -0.3738 2.0721 2.0721 2.1671 2.1671 13.1891 13.1891 14.7368 14.7368 15.4820 15.4820 20.7362 20.7362 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3248 0.3852 ( 521 PWs) bands (ev): -10.4864 -10.4864 -1.4629 -1.4629 1.1786 1.1786 2.8404 2.8404 13.4164 13.4164 14.0738 14.0738 16.0432 16.0432 20.6794 20.6794 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3248 0.5483 ( 521 PWs) bands (ev): -9.5125 -9.5125 -2.4384 -2.4384 -0.3670 -0.3670 3.7646 3.7646 11.7448 11.7448 15.4650 15.4650 17.7244 17.7244 19.9931 19.9931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3248-1.2454 ( 521 PWs) bands (ev): -8.2482 -8.2482 -3.4331 -3.4331 -1.8965 -1.8965 4.8917 4.8917 9.9498 9.9498 17.1212 17.1212 19.2521 19.2521 20.0424 20.0424 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3248-1.0823 ( 517 PWs) bands (ev): -6.7779 -6.7779 -4.8417 -4.8417 -2.6330 -2.6330 5.9656 5.9656 8.4142 8.4142 17.9708 17.9708 19.2005 19.2005 20.8741 20.8741 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3248-0.9192 ( 516 PWs) bands (ev): -6.7105 -6.7105 -4.8897 -4.8897 -2.6254 -2.6254 5.6277 5.6277 8.5696 8.5696 17.8137 17.8137 19.5893 19.5893 21.2963 21.2963 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3248-0.7562 ( 523 PWs) bands (ev): -8.1696 -8.1696 -3.4318 -3.4318 -1.8997 -1.8997 4.3396 4.3396 9.9570 9.9570 17.6119 17.6119 19.7267 19.7267 19.9992 19.9992 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 = 0.2500-0.3248-0.5931 ( 529 PWs) bands (ev): -9.4387 -9.4387 -2.3805 -2.3805 -0.3868 -0.3868 3.1939 3.1939 11.4506 11.4506 16.5666 16.5666 17.6585 17.6585 20.3669 20.3669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.3248-0.4301 ( 522 PWs) bands (ev): -10.4264 -10.4264 -1.3812 -1.3812 1.1600 1.1600 2.3502 2.3502 12.8749 12.8749 15.0961 15.0961 15.9853 15.9853 20.9266 20.9266 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1728-0.2079 ( 523 PWs) bands (ev): -11.8948 -11.8948 0.6862 0.6862 1.8015 1.8015 2.9371 2.9371 13.4221 13.4221 15.6250 15.6250 16.4825 16.4825 18.1202 18.1202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1728-0.0448 ( 523 PWs) bands (ev): -12.0891 -12.0891 0.7200 0.7200 2.3921 2.3921 3.0603 3.0603 12.7153 12.7153 15.9473 15.9473 17.0530 17.0530 17.2115 17.2116 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1728 0.1182 ( 518 PWs) bands (ev): -11.9460 -11.9460 1.0900 1.0900 1.7589 1.7589 2.9578 2.9578 12.5161 12.5161 15.6612 15.6612 16.6753 16.6753 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 = 0.2500-0.1728 0.2813 ( 521 PWs) bands (ev): -11.4653 -11.4653 0.6452 0.6452 1.7634 1.7634 2.0669 2.0669 12.8763 12.8763 15.3954 15.3954 16.1984 16.1984 18.7352 18.7352 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1728 0.4443 ( 526 PWs) bands (ev): -10.6530 -10.6530 -0.6610 -0.6610 0.6725 0.6725 2.7006 2.7006 13.5384 13.5384 13.8065 13.8065 17.3209 17.3209 18.9388 18.9388 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1728 0.6074 ( 519 PWs) bands (ev): -9.5237 -9.5237 -2.3531 -2.3531 -0.4244 -0.4244 3.8426 3.8426 11.4118 11.4118 15.2654 15.2654 17.4271 17.4271 20.6679 20.6679 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1728-1.1862 ( 516 PWs) bands (ev): -8.1127 -8.1127 -4.2621 -4.2621 -1.0118 -1.0118 5.0010 5.0010 9.4550 9.4550 17.0070 17.0070 17.3260 17.3260 21.1632 21.1632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1728-1.0232 ( 520 PWs) bands (ev): -6.7674 -6.7674 -5.7813 -5.7813 -1.1940 -1.1940 5.2799 5.2799 8.7487 8.7487 17.0746 17.0746 18.9021 18.9021 20.6654 20.6654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1728-0.8601 ( 521 PWs) bands (ev): -7.9655 -7.9655 -4.3655 -4.3655 -0.9989 -0.9989 4.1134 4.1134 9.9410 9.9410 17.1599 17.1599 18.9811 18.9811 21.1809 21.1809 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1728-0.6971 ( 526 PWs) bands (ev): -9.3751 -9.3751 -2.4156 -2.4156 -0.4087 -0.4087 2.7779 2.7779 11.7290 11.7290 17.2217 17.2217 18.0174 18.0174 20.2460 20.2460 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1728-0.5340 ( 527 PWs) bands (ev): -10.5227 -10.5227 -0.6593 -0.6593 0.6667 0.6667 1.7161 1.7161 13.5619 13.5619 16.0715 16.0715 17.3775 17.3775 18.8574 18.8574 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1728-0.3710 ( 525 PWs) bands (ev): -11.3689 -11.3689 0.6860 0.6860 1.0140 1.0140 2.0488 2.0488 14.5659 14.5659 15.2339 15.2339 16.1565 16.1565 18.7081 18.7081 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0209-0.1488 ( 528 PWs) bands (ev): -12.3551 -12.3551 -0.1420 -0.1420 3.4348 3.4348 3.7399 3.7399 13.4926 13.4926 15.6431 15.6431 16.2535 16.2535 18.0968 18.0968 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0209 0.0143 ( 526 PWs) bands (ev): -12.3904 -12.3904 0.1095 0.1095 3.4229 3.4229 3.7504 3.7504 12.8563 12.8563 15.6339 15.6339 16.2821 16.2821 18.1134 18.1134 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0209 0.1773 ( 523 PWs) bands (ev): -12.0891 -12.0891 0.7200 0.7200 2.3921 2.3921 3.0603 3.0603 12.7153 12.7153 15.9473 15.9473 17.0530 17.0530 17.2116 17.2116 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0209 0.3404 ( 522 PWs) bands (ev): -11.4518 -11.4518 0.7000 0.7000 1.6460 1.6460 2.0358 2.0358 13.1125 13.1125 15.1678 15.1678 16.1098 16.1098 18.8015 18.8015 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0209 0.5034 ( 521 PWs) bands (ev): -10.4858 -10.4858 -1.3591 -1.3591 1.1302 1.1302 2.8227 2.8227 12.8330 12.8330 14.0735 14.0735 15.8688 15.8688 21.0843 21.0843 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0209 0.6665 ( 521 PWs) bands (ev): -9.2091 -9.2091 -3.4751 -3.4751 0.4842 0.4842 4.1104 4.1104 10.5145 10.5145 15.3378 15.3378 15.8141 15.8141 23.5330 23.5331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0209-1.1271 ( 525 PWs) bands (ev): -7.6885 -7.6885 -5.4300 -5.4300 0.1517 0.1517 4.9635 4.9635 8.9752 8.9752 15.3398 15.3398 17.6148 17.6148 21.9683 21.9683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0209-0.9641 ( 520 PWs) bands (ev): -7.5128 -7.5128 -5.5784 -5.5784 0.1540 0.1540 4.2341 4.2341 9.5003 9.5003 15.3469 15.3469 19.7425 19.7425 20.9796 20.9796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0209-0.8010 ( 523 PWs) bands (ev): -9.0056 -9.0056 -3.6029 -3.6029 0.4902 0.4902 2.7778 2.7778 11.2713 11.2713 15.5147 15.5147 19.4109 19.4109 21.6489 21.6489 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0209-0.6380 ( 523 PWs) bands (ev): -10.2945 -10.2945 -1.4420 -1.4420 1.1375 1.1375 1.4803 1.4803 13.3474 13.3474 15.7826 15.7826 17.8001 17.8001 20.7777 20.7777 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0209-0.4749 ( 519 PWs) bands (ev): -11.2959 -11.2959 0.5370 0.5370 0.6629 0.6629 2.0400 2.0400 15.3603 15.3603 15.8028 15.8028 16.3565 16.3565 18.7190 18.7190 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0209-0.3118 ( 520 PWs) bands (ev): -11.9873 -11.9873 -0.0047 -0.0047 2.3928 2.3928 3.0537 3.0537 14.5553 14.5553 15.9694 15.9694 17.0638 17.0638 17.1735 17.1735 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1311-0.0897 ( 535 PWs) bands (ev): -12.4817 -12.4817 -0.5956 -0.5956 4.0782 4.0782 4.0874 4.0874 14.0326 14.0326 15.5477 15.5477 15.5560 15.5560 18.6953 18.6953 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1311 0.0734 ( 528 PWs) bands (ev): -12.3551 -12.3551 -0.1420 -0.1420 3.4348 3.4348 3.7400 3.7400 13.4926 13.4926 15.6430 15.6430 16.2536 16.2536 18.0968 18.0968 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1311 0.2364 ( 523 PWs) bands (ev): -11.8948 -11.8948 0.6862 0.6862 1.8015 1.8015 2.9372 2.9372 13.4221 13.4221 15.6250 15.6250 16.4825 16.4825 18.1202 18.1202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1311 0.3995 ( 520 PWs) bands (ev): -11.1028 -11.1028 -0.2893 -0.2893 1.8356 1.8356 2.0470 2.0470 13.7787 13.7787 14.3023 14.3023 15.3820 15.3820 20.6908 20.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1311 0.5626 ( 522 PWs) bands (ev): -9.9887 -9.9887 -2.4832 -2.4832 1.3042 1.3042 3.2074 3.2074 11.7062 11.7062 14.7058 14.7058 15.2402 15.2402 23.5429 23.5429 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1311 0.7256 ( 527 PWs) bands (ev): -8.5801 -8.5801 -4.5775 -4.5775 0.8256 0.8256 4.5071 4.5071 9.5618 9.5618 14.7250 14.7250 16.5071 16.5071 22.8580 22.8581 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1311-1.0680 ( 520 PWs) bands (ev): -7.1940 -7.1940 -6.1782 -6.1782 0.6614 0.6614 4.6321 4.6321 9.0108 9.0108 14.6538 14.6538 18.4875 18.4875 21.8002 21.8002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1311-0.9050 ( 520 PWs) bands (ev): -8.3622 -8.3622 -4.7373 -4.7373 0.8260 0.8260 3.2629 3.2629 10.4475 10.4475 14.7367 14.7367 20.5593 20.5593 20.8917 20.8918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1311-0.7419 ( 519 PWs) bands (ev): -9.7676 -9.7676 -2.6014 -2.6014 1.3045 1.3045 1.7535 1.7535 12.5150 12.5150 14.9679 14.9679 19.4147 19.4147 22.3536 22.3536 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1311-0.5788 ( 524 PWs) bands (ev): -10.9076 -10.9076 -0.3616 -0.3616 0.5452 0.5452 2.0467 2.0467 14.6779 14.6779 15.2873 15.2873 17.8848 17.8848 20.6912 20.6912 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1311-0.4158 ( 529 PWs) bands (ev): -11.7493 -11.7493 -0.2617 -0.2617 1.7679 1.7679 2.9371 2.9371 15.5014 15.5014 16.3252 16.3252 16.7408 16.7408 18.1212 18.1212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1311-0.2527 ( 529 PWs) bands (ev): -12.2774 -12.2774 -0.6414 -0.6414 3.4251 3.4251 3.7401 3.7401 14.9593 14.9593 15.6485 15.6485 16.2536 16.2536 18.1543 18.1543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2831-0.0306 ( 529 PWs) bands (ev): -12.2774 -12.2774 -0.6414 -0.6414 3.4251 3.4251 3.7400 3.7400 14.9593 14.9593 15.6486 15.6486 16.2535 16.2535 18.1543 18.1543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2831 0.1325 ( 520 PWs) bands (ev): -11.9873 -11.9873 -0.0047 -0.0047 2.3928 2.3928 3.0537 3.0537 14.5553 14.5553 15.9694 15.9694 17.0637 17.0637 17.1735 17.1735 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2831 0.2956 ( 525 PWs) bands (ev): -11.3689 -11.3689 0.6860 0.6860 1.0140 1.0140 2.0488 2.0488 14.5659 14.5659 15.2339 15.2339 16.1565 16.1565 18.7081 18.7081 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2831 0.4586 ( 522 PWs) bands (ev): -10.4264 -10.4264 -1.3812 -1.3812 1.1600 1.1600 2.3502 2.3502 12.8749 12.8749 15.0961 15.0961 15.9853 15.9853 20.9266 20.9266 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2831 0.6217 ( 524 PWs) bands (ev): -9.1750 -9.1750 -3.4948 -3.4948 0.5250 0.5250 3.8538 3.8538 10.5194 10.5194 15.5186 15.5186 16.3244 16.3244 22.2100 22.2100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2831 0.7847 ( 529 PWs) bands (ev): -7.6787 -7.6787 -5.4364 -5.4364 0.1978 0.1978 4.9344 4.9344 8.8799 8.8799 15.4339 15.4339 17.7723 17.7723 21.1811 21.1811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2831-1.0089 ( 525 PWs) bands (ev): -7.5026 -7.5026 -5.5836 -5.5836 0.2001 0.2001 4.1836 4.1836 9.4685 9.4685 15.4451 15.4451 19.6275 19.6275 20.5083 20.5084 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2831-0.8458 ( 524 PWs) bands (ev): -8.9686 -8.9686 -3.6211 -3.6211 0.5314 0.5314 2.5711 2.5711 11.3373 11.3373 15.6023 15.6023 19.9172 19.9172 21.2513 21.2513 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2831-0.6828 ( 523 PWs) bands (ev): -10.2301 -10.2301 -1.4635 -1.4635 1.1133 1.1133 1.1687 1.1687 13.4295 13.4295 15.8620 15.8620 19.1717 19.1717 20.5888 20.5888 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2831-0.5197 ( 527 PWs) bands (ev): -11.2072 -11.2072 0.0240 0.0240 0.6479 0.6479 2.0543 2.0543 15.4254 15.4254 16.0758 16.0758 18.0883 18.0883 18.6312 18.6312 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2831-0.3567 ( 521 PWs) bands (ev): -11.8809 -11.8809 -0.6387 -0.6387 2.3919 2.3919 3.0492 3.0492 15.8712 15.8712 16.8888 16.8888 17.0876 17.0876 17.1598 17.1598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2831-0.1936 ( 526 PWs) bands (ev): -12.2402 -12.2402 -0.8591 -0.8591 3.4363 3.4363 3.7305 3.7305 15.5413 15.5413 15.8521 15.8521 16.2313 16.2313 18.1443 18.1443 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4350 0.0286 ( 529 PWs) bands (ev): -11.7493 -11.7493 -0.2617 -0.2617 1.7679 1.7679 2.9371 2.9371 15.5014 15.5014 16.3252 16.3252 16.7408 16.7408 18.1212 18.1212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4350 0.1916 ( 519 PWs) bands (ev): -11.2959 -11.2959 0.5370 0.5370 0.6630 0.6630 2.0400 2.0400 15.3603 15.3603 15.8028 15.8028 16.3565 16.3565 18.7190 18.7190 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4350 0.3547 ( 527 PWs) bands (ev): -10.5227 -10.5227 -0.6593 -0.6593 0.6667 0.6667 1.7161 1.7161 13.5619 13.5619 16.0715 16.0715 17.3775 17.3775 18.8574 18.8574 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4350 0.5177 ( 529 PWs) bands (ev): -9.4387 -9.4387 -2.3805 -2.3805 -0.3868 -0.3868 3.1939 3.1939 11.4506 11.4506 16.5666 16.5666 17.6585 17.6585 20.3669 20.3669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4350 0.6808 ( 527 PWs) bands (ev): -8.0733 -8.0733 -4.2844 -4.2844 -0.9535 -0.9535 4.7487 4.7487 9.3904 9.3904 17.1447 17.1447 17.7879 17.7879 20.6177 20.6177 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4350 0.8438 ( 526 PWs) bands (ev): -6.7674 -6.7674 -5.7756 -5.7756 -1.1297 -1.1297 5.2791 5.2791 8.5695 8.5695 17.2793 17.2793 18.4949 18.4949 20.2444 20.2444 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4350-0.9498 ( 526 PWs) bands (ev): -7.9239 -7.9239 -4.3866 -4.3866 -0.9395 -0.9395 3.8777 3.8777 9.9328 9.9328 17.4163 17.4163 18.8686 18.8686 20.6788 20.6788 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4350-0.7867 ( 527 PWs) bands (ev): -9.2845 -9.2845 -2.4431 -2.4431 -0.3682 -0.3682 2.2426 2.2426 11.7735 11.7735 17.5893 17.5893 19.0910 19.0910 19.9249 19.9249 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4350-0.6237 ( 531 PWs) bands (ev): -10.3848 -10.3848 -0.6611 -0.6611 0.6660 0.6660 0.8931 0.8931 13.5641 13.5641 17.2085 17.2085 18.7870 18.7870 19.0406 19.0406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4350-0.4606 ( 526 PWs) bands (ev): -11.1921 -11.1921 -0.0584 -0.0584 0.7021 0.7021 2.0238 2.0238 15.1798 15.1798 15.9813 15.9813 18.5210 18.5210 18.6919 18.6919 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4350-0.2976 ( 528 PWs) bands (ev): -11.6935 -11.6935 -0.5730 -0.5730 1.8099 1.8099 2.9181 2.9181 15.5003 15.5003 16.4694 16.4694 17.7204 17.7204 18.0776 18.0776 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4350-0.1345 ( 521 PWs) bands (ev): -11.8809 -11.8809 -0.6387 -0.6387 2.3920 2.3920 3.0491 3.0491 15.8712 15.8712 16.8888 16.8888 17.0876 17.0876 17.1597 17.1597 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.2366-0.6217 ( 524 PWs) bands (ev): -10.9076 -10.9076 -0.3615 -0.3615 0.5452 0.5452 2.0467 2.0467 14.6779 14.6779 15.2873 15.2873 17.8848 17.8848 20.6912 20.6912 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.2366-0.4586 ( 523 PWs) bands (ev): -10.2945 -10.2945 -1.4419 -1.4419 1.1374 1.1374 1.4802 1.4802 13.3474 13.3474 15.7826 15.7826 17.8001 17.8001 20.7777 20.7777 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.2366-0.2956 ( 526 PWs) bands (ev): -9.3751 -9.3751 -2.4156 -2.4156 -0.4087 -0.4087 2.7779 2.7779 11.7290 11.7290 17.2217 17.2217 18.0174 18.0174 20.2460 20.2460 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.2366-0.1325 ( 523 PWs) bands (ev): -8.1696 -8.1696 -3.4318 -3.4318 -1.8997 -1.8997 4.3396 4.3396 9.9570 9.9570 17.6119 17.6119 19.7267 19.7267 19.9992 19.9992 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 = 0.2500-1.2366 0.0305 ( 518 PWs) bands (ev): -6.7553 -6.7553 -4.8470 -4.8470 -2.5958 -2.5958 5.8562 5.8562 8.2773 8.2773 17.4996 17.4996 19.7793 19.7793 21.0038 21.0038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.2366 0.1936 ( 523 PWs) bands (ev): -6.6878 -6.6878 -4.8945 -4.8945 -2.5870 -2.5870 5.4977 5.4977 8.4660 8.4660 17.6326 17.6326 19.7899 19.7899 20.8931 20.8931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.2366-1.6000 ( 526 PWs) bands (ev): -8.0887 -8.0887 -3.4332 -3.4332 -1.8980 -1.8980 3.8348 3.8348 9.9541 9.9541 18.2152 18.2152 19.4314 19.4314 20.1148 20.1148 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.2366-1.4370 ( 526 PWs) bands (ev): -9.2970 -9.2970 -2.3587 -2.3587 -0.4252 -0.4252 2.3028 2.3028 11.4123 11.4123 17.2957 17.2957 19.0187 19.0187 20.5208 20.5208 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.2366-1.2739 ( 523 PWs) bands (ev): -10.2295 -10.2295 -1.3607 -1.3607 1.1023 1.1023 1.1212 1.1212 12.8099 12.8099 15.6880 15.6880 19.2368 19.2368 20.9811 20.9811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.2366-1.1109 ( 522 PWs) bands (ev): -10.8645 -10.8645 -0.2778 -0.2778 0.3045 0.3045 2.0223 2.0223 14.1404 14.1404 15.1718 15.1718 19.0131 19.0131 20.6472 20.6472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.2366-0.9478 ( 526 PWs) bands (ev): -11.1921 -11.1921 -0.0584 -0.0584 0.7021 0.7021 2.0238 2.0238 15.1798 15.1798 15.9813 15.9813 18.5210 18.5210 18.6918 18.6918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.2366-0.7848 ( 527 PWs) bands (ev): -11.2072 -11.2072 0.0240 0.0240 0.6480 0.6480 2.0543 2.0543 15.4254 15.4254 16.0758 16.0758 18.0883 18.0883 18.6311 18.6311 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0846-0.5626 ( 519 PWs) bands (ev): -9.7676 -9.7676 -2.6014 -2.6014 1.3044 1.3044 1.7535 1.7535 12.5150 12.5150 14.9679 14.9679 19.4147 19.4147 22.3536 22.3536 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0846-0.3995 ( 523 PWs) bands (ev): -9.0056 -9.0056 -3.6029 -3.6029 0.4902 0.4902 2.7778 2.7778 11.2713 11.2713 15.5147 15.5147 19.4109 19.4109 21.6489 21.6489 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0846-0.2365 ( 521 PWs) bands (ev): -7.9655 -7.9655 -4.3655 -4.3655 -0.9990 -0.9990 4.1134 4.1134 9.9410 9.9410 17.1599 17.1599 18.9811 18.9811 21.1810 21.1810 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0846-0.0734 ( 516 PWs) bands (ev): -6.7105 -6.7105 -4.8897 -4.8897 -2.6254 -2.6254 5.6277 5.6277 8.5696 8.5696 17.8137 17.8137 19.5893 19.5893 21.2963 21.2963 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0846 0.0897 ( 525 PWs) bands (ev): -5.5038 -5.5038 -5.5018 -5.5018 -3.5300 -3.5300 7.1099 7.1099 7.1151 7.1151 17.3256 17.3256 20.8654 20.8654 21.5735 21.5735 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.5475 0.5475 0.4523 0.4523 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0846 0.2527 ( 519 PWs) bands (ev): -6.7068 -6.7068 -4.8540 -4.8540 -2.6216 -2.6216 5.5656 5.5656 8.3839 8.3839 17.6485 17.6485 19.6330 19.6330 21.3093 21.3093 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0846-1.5409 ( 525 PWs) bands (ev): -7.9630 -7.9630 -4.2893 -4.2893 -0.9981 -0.9981 4.0557 4.0557 9.4546 9.4546 17.1139 17.1139 18.8176 18.8176 21.8833 21.8833 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0846-1.3779 ( 524 PWs) bands (ev): -9.0039 -9.0039 -3.4985 -3.4985 0.4849 0.4849 2.7376 2.7376 10.5122 10.5122 15.4210 15.4210 19.3474 19.3474 22.9492 22.9492 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0846-1.2148 ( 519 PWs) bands (ev): -9.7665 -9.7665 -2.4859 -2.4859 1.2822 1.2822 1.7295 1.7295 11.6631 11.6631 14.8293 14.8293 19.4254 19.4255 23.5146 23.5146 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0846-1.0518 ( 523 PWs) bands (ev): -10.2295 -10.2295 -1.3607 -1.3607 1.1023 1.1023 1.1212 1.1212 12.8099 12.8099 15.6880 15.6880 19.2368 19.2368 20.9810 20.9810 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0846-0.8887 ( 531 PWs) bands (ev): -10.3848 -10.3848 -0.6611 -0.6611 0.6659 0.6659 0.8931 0.8931 13.5641 13.5641 17.2085 17.2085 18.7870 18.7870 19.0406 19.0406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-1.0846-0.7256 ( 523 PWs) bands (ev): -10.2301 -10.2301 -1.4635 -1.4635 1.1133 1.1133 1.1687 1.1687 13.4295 13.4295 15.8620 15.8620 19.1717 19.1717 20.5888 20.5888 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9327-0.5035 ( 520 PWs) bands (ev): -8.3622 -8.3622 -4.7372 -4.7372 0.8259 0.8259 3.2629 3.2629 10.4475 10.4475 14.7367 14.7367 20.5593 20.5593 20.8918 20.8918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9327-0.3404 ( 520 PWs) bands (ev): -7.5128 -7.5128 -5.5783 -5.5783 0.1539 0.1539 4.2341 4.2341 9.5003 9.5003 15.3469 15.3469 19.7425 19.7425 20.9796 20.9796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9327-0.1774 ( 520 PWs) bands (ev): -6.7675 -6.7675 -5.7813 -5.7813 -1.1940 -1.1940 5.2799 5.2799 8.7487 8.7487 17.0746 17.0746 18.9021 18.9021 20.6654 20.6654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9327-0.0143 ( 517 PWs) bands (ev): -6.7779 -6.7779 -4.8417 -4.8417 -2.6331 -2.6331 5.9656 5.9656 8.4142 8.4142 17.9708 17.9708 19.2005 19.2005 20.8741 20.8741 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9327 0.1488 ( 515 PWs) bands (ev): -6.7593 -6.7593 -4.8836 -4.8836 -2.5984 -2.5984 5.9204 5.9204 8.4594 8.4594 17.7515 17.7516 19.8564 19.8564 20.3426 20.3426 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9327 0.3118 ( 519 PWs) bands (ev): -6.7637 -6.7637 -5.7846 -5.7846 -1.1616 -1.1616 5.3290 5.3290 8.5671 8.5671 17.1395 17.1395 18.7598 18.7598 20.8909 20.8909 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9327-1.4818 ( 525 PWs) bands (ev): -7.5677 -7.5677 -5.4876 -5.4876 0.1674 0.1674 4.4280 4.4280 8.8961 8.8961 15.3352 15.3352 19.5012 19.5012 21.6551 21.6551 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9327-1.3188 ( 523 PWs) bands (ev): -8.4141 -8.4141 -4.6182 -4.6182 0.8128 0.8128 3.4885 3.4885 9.5767 9.5767 14.6407 14.6407 19.5937 19.5937 22.9028 22.9028 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9327-1.1557 ( 524 PWs) bands (ev): -9.0039 -9.0039 -3.4985 -3.4985 0.4849 0.4849 2.7376 2.7376 10.5122 10.5122 15.4210 15.4210 19.3474 19.3474 22.9492 22.9492 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9327-0.9926 ( 526 PWs) bands (ev): -9.2970 -9.2970 -2.3587 -2.3587 -0.4252 -0.4252 2.3028 2.3028 11.4123 11.4123 17.2957 17.2957 19.0186 19.0186 20.5207 20.5207 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9327-0.8296 ( 527 PWs) bands (ev): -9.2845 -9.2845 -2.4431 -2.4431 -0.3682 -0.3682 2.2426 2.2426 11.7735 11.7735 17.5893 17.5893 19.0910 19.0910 19.9249 19.9249 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.9327-0.6665 ( 524 PWs) bands (ev): -8.9686 -8.9686 -3.6211 -3.6211 0.5314 0.5314 2.5711 2.5711 11.3373 11.3373 15.6023 15.6023 19.9172 19.9172 21.2513 21.2513 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.7807-0.4444 ( 520 PWs) bands (ev): -7.1940 -7.1940 -6.1782 -6.1782 0.6614 0.6614 4.6321 4.6321 9.0108 9.0108 14.6538 14.6538 18.4875 18.4875 21.8002 21.8002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.7807-0.2813 ( 525 PWs) bands (ev): -7.6885 -7.6885 -5.4300 -5.4300 0.1517 0.1517 4.9635 4.9635 8.9752 8.9752 15.3398 15.3398 17.6148 17.6148 21.9683 21.9683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.7807-0.1182 ( 516 PWs) bands (ev): -8.1127 -8.1127 -4.2620 -4.2620 -1.0118 -1.0118 5.0010 5.0010 9.4550 9.4550 17.0070 17.0070 17.3260 17.3260 21.1632 21.1632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.7807 0.0448 ( 521 PWs) bands (ev): -8.2482 -8.2482 -3.4331 -3.4331 -1.8965 -1.8965 4.8917 4.8917 9.9498 9.9498 17.1212 17.1212 19.2521 19.2521 20.0424 20.0424 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.7807 0.2079 ( 523 PWs) bands (ev): -8.0762 -8.0762 -4.3616 -4.3616 -0.9530 -0.9530 4.8200 4.8200 9.8466 9.8466 17.2591 17.2591 17.8552 17.8552 20.3231 20.3231 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.7807 0.3709 ( 525 PWs) bands (ev): -7.6258 -7.6258 -5.5322 -5.5322 0.1853 0.1853 4.8109 4.8109 9.2426 9.2426 15.4447 15.4447 18.7827 18.7827 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 = 0.2500-0.7807-1.4227 ( 530 PWs) bands (ev): -7.1861 -7.1861 -6.1915 -6.1915 0.6620 0.6620 4.7255 4.7255 8.7809 8.7809 14.6532 14.6532 19.8212 19.8212 20.6911 20.6911 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.7807-1.2596 ( 525 PWs) bands (ev): -7.5677 -7.5677 -5.4876 -5.4876 0.1674 0.1674 4.4280 4.4280 8.8961 8.8961 15.3352 15.3352 19.5012 19.5012 21.6551 21.6551 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.7807-1.0966 ( 525 PWs) bands (ev): -7.9630 -7.9630 -4.2893 -4.2893 -0.9981 -0.9981 4.0557 4.0557 9.4546 9.4546 17.1139 17.1139 18.8176 18.8176 21.8833 21.8833 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.7807-0.9335 ( 526 PWs) bands (ev): -8.0887 -8.0887 -3.4331 -3.4331 -1.8980 -1.8980 3.8348 3.8348 9.9541 9.9541 18.2152 18.2152 19.4314 19.4314 20.1148 20.1148 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.7807-0.7705 ( 526 PWs) bands (ev): -7.9239 -7.9239 -4.3866 -4.3866 -0.9395 -0.9395 3.8777 3.8777 9.9328 9.9328 17.4162 17.4162 18.8687 18.8687 20.6788 20.6788 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.7807-0.6074 ( 525 PWs) bands (ev): -7.5026 -7.5026 -5.5836 -5.5836 0.2000 0.2000 4.1836 4.1836 9.4685 9.4685 15.4451 15.4451 19.6275 19.6275 20.5083 20.5083 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6287-0.3852 ( 527 PWs) bands (ev): -8.5801 -8.5801 -4.5775 -4.5775 0.8256 0.8256 4.5071 4.5071 9.5618 9.5618 14.7250 14.7250 16.5071 16.5071 22.8580 22.8580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6287-0.2222 ( 521 PWs) bands (ev): -9.2091 -9.2091 -3.4751 -3.4751 0.4842 0.4842 4.1104 4.1104 10.5145 10.5145 15.3378 15.3378 15.8141 15.8141 23.5331 23.5331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6287-0.0591 ( 519 PWs) bands (ev): -9.5237 -9.5237 -2.3531 -2.3531 -0.4244 -0.4244 3.8426 3.8426 11.4118 11.4118 15.2654 15.2654 17.4271 17.4271 20.6679 20.6679 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6287 0.1039 ( 521 PWs) bands (ev): -9.5125 -9.5125 -2.4384 -2.4384 -0.3670 -0.3670 3.7646 3.7646 11.7448 11.7448 15.4650 15.4650 17.7244 17.7244 19.9931 19.9931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6287 0.2670 ( 523 PWs) bands (ev): -9.1769 -9.1769 -3.6002 -3.6002 0.5317 0.5317 3.9100 3.9100 11.2375 11.2375 15.6144 15.6144 16.3414 16.3414 21.4157 21.4157 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6287 0.4300 ( 528 PWs) bands (ev): -8.5320 -8.5320 -4.7001 -4.7001 0.8400 0.8400 4.2788 4.2788 10.2429 10.2429 14.8288 14.8288 17.4733 17.4733 21.2452 21.2452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6287-1.3636 ( 525 PWs) bands (ev): -7.6258 -7.6258 -5.5322 -5.5322 0.1853 0.1853 4.8109 4.8109 9.2426 9.2426 15.4447 15.4447 18.7827 18.7827 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 = 0.2500-0.6287-1.2005 ( 519 PWs) bands (ev): -6.7637 -6.7637 -5.7846 -5.7846 -1.1616 -1.1616 5.3290 5.3290 8.5671 8.5671 17.1395 17.1395 18.7598 18.7598 20.8908 20.8908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6287-1.0375 ( 519 PWs) bands (ev): -6.7068 -6.7068 -4.8540 -4.8540 -2.6216 -2.6216 5.5656 5.5656 8.3839 8.3839 17.6485 17.6485 19.6330 19.6330 21.3092 21.3092 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6287-0.8744 ( 523 PWs) bands (ev): -6.6878 -6.6878 -4.8945 -4.8945 -2.5871 -2.5871 5.4977 5.4977 8.4660 8.4660 17.6326 17.6326 19.7899 19.7899 20.8931 20.8931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6287-0.7114 ( 526 PWs) bands (ev): -6.7675 -6.7675 -5.7755 -5.7755 -1.1297 -1.1297 5.2791 5.2791 8.5695 8.5695 17.2792 17.2792 18.4949 18.4949 20.2444 20.2444 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.6287-0.5483 ( 529 PWs) bands (ev): -7.6787 -7.6787 -5.4364 -5.4364 0.1978 0.1978 4.9344 4.9344 8.8799 8.8799 15.4339 15.4339 17.7723 17.7723 21.1811 21.1811 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4768-0.3261 ( 522 PWs) bands (ev): -9.9887 -9.9887 -2.4831 -2.4831 1.3042 1.3042 3.2074 3.2074 11.7062 11.7062 14.7058 14.7058 15.2402 15.2402 23.5428 23.5428 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4768-0.1631 ( 521 PWs) bands (ev): -10.4858 -10.4858 -1.3591 -1.3591 1.1301 1.1301 2.8227 2.8227 12.8330 12.8330 14.0735 14.0735 15.8688 15.8688 21.0843 21.0843 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4768-0.0000 ( 526 PWs) bands (ev): -10.6530 -10.6530 -0.6610 -0.6610 0.6724 0.6724 2.7006 2.7006 13.5384 13.5384 13.8065 13.8065 17.3209 17.3209 18.9388 18.9388 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4768 0.1630 ( 521 PWs) bands (ev): -10.4864 -10.4864 -1.4629 -1.4629 1.1786 1.1786 2.8404 2.8404 13.4164 13.4164 14.0738 14.0738 16.0432 16.0432 20.6793 20.6793 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4768 0.3261 ( 522 PWs) bands (ev): -9.9899 -9.9899 -2.5998 -2.5998 1.3279 1.3279 3.2438 3.2438 12.5191 12.5191 14.7557 14.7557 15.3329 15.3329 22.3166 22.3166 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4768 0.4892 ( 523 PWs) bands (ev): -9.1769 -9.1769 -3.6002 -3.6002 0.5317 0.5317 3.9100 3.9100 11.2375 11.2375 15.6145 15.6145 16.3414 16.3414 21.4157 21.4157 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4768-1.3045 ( 523 PWs) bands (ev): -8.0762 -8.0762 -4.3616 -4.3616 -0.9530 -0.9530 4.8200 4.8200 9.8466 9.8466 17.2591 17.2591 17.8552 17.8552 20.3231 20.3231 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4768-1.1414 ( 515 PWs) bands (ev): -6.7593 -6.7593 -4.8836 -4.8836 -2.5984 -2.5984 5.9204 5.9204 8.4594 8.4594 17.7516 17.7516 19.8564 19.8564 20.3426 20.3426 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4768-0.9784 ( 525 PWs) bands (ev): -5.5038 -5.5038 -5.5018 -5.5018 -3.5300 -3.5300 7.1099 7.1099 7.1151 7.1151 17.3257 17.3257 20.8654 20.8654 21.5735 21.5735 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.5475 0.5475 0.4523 0.4523 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4768-0.8153 ( 518 PWs) bands (ev): -6.7553 -6.7553 -4.8470 -4.8470 -2.5958 -2.5958 5.8562 5.8562 8.2773 8.2773 17.4997 17.4997 19.7793 19.7793 21.0038 21.0038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4768-0.6522 ( 527 PWs) bands (ev): -8.0733 -8.0733 -4.2844 -4.2844 -0.9535 -0.9535 4.7487 4.7487 9.3904 9.3904 17.1447 17.1447 17.7879 17.7879 20.6177 20.6177 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4768-0.4892 ( 524 PWs) bands (ev): -9.1750 -9.1750 -3.4947 -3.4947 0.5250 0.5250 3.8538 3.8538 10.5194 10.5194 15.5186 15.5186 16.3244 16.3244 22.2100 22.2100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4331-0.3560 ( 522 PWs) bands (ev): -9.9437 -9.9437 -2.5088 -2.5088 1.3042 1.3042 2.8636 2.8636 11.8397 11.8397 14.9123 14.9123 15.8850 15.8850 23.4972 23.4972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4331-0.1930 ( 521 PWs) bands (ev): -10.4531 -10.4531 -1.3733 -1.3733 1.1350 1.1350 2.5554 2.5554 12.8853 12.8853 14.6758 14.6758 15.8924 15.8924 21.0310 21.0310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4331-0.0299 ( 523 PWs) bands (ev): -10.6360 -10.6360 -0.6607 -0.6607 0.6716 0.6716 2.5551 2.5551 13.5376 13.5376 14.1150 14.1150 17.3277 17.3277 18.9227 18.9227 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4331 0.1332 ( 521 PWs) bands (ev): -10.4864 -10.4864 -1.4629 -1.4629 1.1786 1.1786 2.8404 2.8404 13.4164 13.4164 14.0738 14.0738 16.0432 16.0432 20.6793 20.6793 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4331 0.2962 ( 522 PWs) bands (ev): -10.0063 -10.0063 -2.6085 -2.6085 1.3315 1.3315 3.3844 3.3844 12.5983 12.5983 14.5293 14.5293 15.2679 15.2679 22.2389 22.2389 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4331 0.4593 ( 525 PWs) bands (ev): -9.2072 -9.2072 -3.6184 -3.6184 0.5405 0.5405 4.1598 4.1598 11.3830 11.3830 15.4998 15.4998 15.9567 15.9567 21.3027 21.3027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4331-1.3344 ( 517 PWs) bands (ev): -8.1163 -8.1163 -4.3877 -4.3877 -0.9359 -0.9359 5.1326 5.1326 9.9876 9.9876 17.0652 17.0652 17.6301 17.6301 20.2535 20.2535 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4331-1.1713 ( 516 PWs) bands (ev): -6.8039 -6.8039 -4.9092 -4.9092 -2.5774 -2.5774 6.2467 6.2467 8.5152 8.5152 18.1085 18.1085 19.5497 19.5497 20.0189 20.0189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4331-1.0082 ( 514 PWs) bands (ev): -5.5500 -5.5500 -5.4872 -5.4872 -3.5393 -3.5393 6.9964 6.9964 7.4575 7.4575 17.7518 17.7518 20.1608 20.1608 21.5917 21.5917 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9998 0.9998 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4331-0.8452 ( 516 PWs) bands (ev): -6.7105 -6.7105 -4.8897 -4.8897 -2.6254 -2.6254 5.6277 5.6277 8.5696 8.5696 17.8137 17.8137 19.5893 19.5893 21.2963 21.2963 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4331-0.6821 ( 523 PWs) bands (ev): -8.0200 -8.0200 -4.3254 -4.3254 -0.9765 -0.9765 4.4259 4.4259 9.6461 9.6461 17.1706 17.1706 18.3273 18.3273 21.2771 21.2771 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.4331-0.5191 ( 527 PWs) bands (ev): -9.1226 -9.1226 -3.5297 -3.5297 0.5138 0.5138 3.4905 3.4905 10.7239 10.7239 15.5354 15.5354 17.2250 17.2250 22.2354 22.2354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2811-0.2969 ( 518 PWs) bands (ev): -11.0427 -11.0427 -0.3123 -0.3123 1.3891 1.3891 2.0468 2.0468 14.2413 14.2413 14.9703 14.9703 15.5059 15.5059 20.6912 20.6912 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2811-0.1338 ( 521 PWs) bands (ev): -11.4022 -11.4022 0.6890 0.6890 1.2549 1.2549 2.0395 2.0395 13.9865 13.9865 15.2326 15.2326 16.1300 16.1300 18.7693 18.7693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2811 0.0292 ( 521 PWs) bands (ev): -11.4305 -11.4305 0.6526 0.6526 1.4747 1.4747 2.0609 2.0609 13.4986 13.4986 15.3528 15.3528 16.2067 16.2067 18.7282 18.7282 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2811 0.1923 ( 517 PWs) bands (ev): -11.1242 -11.1242 -0.3674 -0.3674 2.0162 2.0162 2.0690 2.0690 13.4983 13.4983 14.6905 14.6905 15.4877 15.4877 20.7300 20.7300 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2811 0.3553 ( 521 PWs) bands (ev): -10.4864 -10.4864 -1.4629 -1.4629 1.1786 1.1786 2.8404 2.8404 13.4164 13.4164 14.0738 14.0738 16.0432 16.0432 20.6794 20.6794 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2811 0.5184 ( 522 PWs) bands (ev): -9.5284 -9.5284 -2.4446 -2.4446 -0.3621 -0.3621 3.8991 3.8991 11.7667 11.7667 15.1977 15.1977 17.7394 17.7394 19.9911 19.9911 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2811-1.2752 ( 517 PWs) bands (ev): -8.2762 -8.2762 -3.4338 -3.4338 -1.8945 -1.8945 5.1103 5.1103 9.9457 9.9457 16.7786 16.7786 19.2663 19.2663 20.2337 20.2337 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2811-1.1122 ( 518 PWs) bands (ev): -6.8104 -6.8104 -4.8218 -4.8218 -2.6489 -2.6489 6.1060 6.1060 8.4516 8.4516 18.3534 18.3534 18.9303 18.9303 20.1484 20.1484 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2811-0.9491 ( 519 PWs) bands (ev): -6.6712 -6.6712 -4.9257 -4.9257 -2.6506 -2.6506 5.4230 5.4230 8.8571 8.8571 18.3652 18.3652 19.3667 19.3667 20.6978 20.6978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2811-0.7861 ( 517 PWs) bands (ev): -8.1139 -8.1139 -3.4698 -3.4698 -1.9267 -1.9267 4.0008 4.0008 10.2646 10.2646 18.1961 18.1961 19.7190 19.7190 19.7841 19.7841 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2811-0.6230 ( 526 PWs) bands (ev): -9.3751 -9.3751 -2.4156 -2.4156 -0.4087 -0.4087 2.7779 2.7779 11.7290 11.7290 17.2217 17.2217 18.0174 18.0174 20.2460 20.2460 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.2811-0.4600 ( 521 PWs) bands (ev): -10.3614 -10.3614 -1.4117 -1.4117 1.1487 1.1487 1.8967 1.8967 13.1005 13.1005 15.7203 15.7203 16.5453 16.5453 20.8569 20.8569 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1291-0.2378 ( 521 PWs) bands (ev): -11.8231 -11.8231 0.1902 0.1902 1.7847 1.7847 2.9372 2.9372 14.7030 14.7030 15.6562 15.6562 16.5958 16.5958 18.1217 18.1217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1291-0.0747 ( 523 PWs) bands (ev): -12.0251 -12.0251 0.2476 0.2476 2.3924 2.3924 3.0563 3.0563 13.8639 13.8639 15.9433 15.9433 17.0688 17.0688 17.1982 17.1982 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1291 0.0883 ( 525 PWs) bands (ev): -11.8949 -11.8949 0.6873 0.6873 1.7697 1.7697 2.9490 2.9490 13.4272 13.4272 15.6303 15.6303 16.6613 16.6613 18.1425 18.1425 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1291 0.2514 ( 521 PWs) bands (ev): -11.4305 -11.4305 0.6526 0.6526 1.4747 1.4747 2.0610 2.0610 13.4986 13.4986 15.3528 15.3528 16.2067 16.2067 18.7282 18.7282 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1291 0.4144 ( 523 PWs) bands (ev): -10.6360 -10.6360 -0.6607 -0.6607 0.6716 0.6716 2.5551 2.5551 13.5376 13.5376 14.1150 14.1150 17.3277 17.3277 18.9227 18.9227 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1291 0.5775 ( 519 PWs) bands (ev): -9.5237 -9.5237 -2.3531 -2.3531 -0.4244 -0.4244 3.8426 3.8426 11.4118 11.4118 15.2654 15.2654 17.4271 17.4271 20.6679 20.6679 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1291-1.2161 ( 515 PWs) bands (ev): -8.1267 -8.1267 -4.2521 -4.2521 -1.0172 -1.0172 5.0917 5.0917 9.4394 9.4394 16.8350 16.8350 17.2732 17.2732 21.2250 21.2251 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1291-1.0531 ( 517 PWs) bands (ev): -6.7708 -6.7708 -5.7773 -5.7773 -1.2053 -1.2053 5.2368 5.2368 8.8693 8.8693 17.0496 17.0496 18.8895 18.8895 20.4747 20.4747 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1291-0.8900 ( 515 PWs) bands (ev): -7.9248 -7.9248 -4.3944 -4.3944 -1.0152 -1.0152 3.8915 3.8915 10.1818 10.1818 17.1468 17.1468 19.6109 19.6109 20.7342 20.7342 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1291-0.7270 ( 522 PWs) bands (ev): -9.3185 -9.3185 -2.4457 -2.4457 -0.4274 -0.4274 2.4415 2.4415 11.9876 11.9876 17.3360 17.3360 18.8818 18.8818 20.1159 20.1159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1291-0.5639 ( 521 PWs) bands (ev): -10.4550 -10.4550 -0.6866 -0.6866 0.6502 0.6502 1.2945 1.2945 13.7960 13.7960 16.9906 16.9906 17.7377 17.7377 18.8396 18.8396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.1291-0.4008 ( 519 PWs) bands (ev): -11.2959 -11.2959 0.5370 0.5370 0.6630 0.6630 2.0400 2.0400 15.3603 15.3603 15.8028 15.8028 16.3565 16.3565 18.7190 18.7190 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0228-0.1787 ( 529 PWs) bands (ev): -12.2774 -12.2774 -0.6414 -0.6414 3.4251 3.4251 3.7400 3.7400 14.9593 14.9593 15.6486 15.6486 16.2535 16.2535 18.1543 18.1543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0228-0.0156 ( 530 PWs) bands (ev): -12.3166 -12.3166 -0.3979 -0.3979 3.4295 3.4295 3.7404 3.7404 14.2074 14.2074 15.6355 15.6355 16.2565 16.2565 18.1310 18.1310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0228 0.1474 ( 523 PWs) bands (ev): -12.0251 -12.0251 0.2476 0.2476 2.3923 2.3923 3.0563 3.0563 13.8639 13.8639 15.9433 15.9433 17.0688 17.0688 17.1982 17.1982 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0228 0.3105 ( 521 PWs) bands (ev): -11.4022 -11.4022 0.6889 0.6889 1.2549 1.2549 2.0395 2.0395 13.9865 13.9865 15.2326 15.2326 16.1300 16.1300 18.7693 18.7693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0228 0.4736 ( 521 PWs) bands (ev): -10.4531 -10.4531 -1.3733 -1.3733 1.1350 1.1350 2.5554 2.5554 12.8853 12.8853 14.6758 14.6758 15.8924 15.8924 21.0311 21.0311 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0228 0.6366 ( 523 PWs) bands (ev): -9.1937 -9.1937 -3.4854 -3.4854 0.4873 0.4873 3.9934 3.9934 10.5485 10.5485 15.4282 15.4282 16.0186 16.0186 22.9024 22.9024 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0228-1.1570 ( 525 PWs) bands (ev): -7.6885 -7.6885 -5.4300 -5.4300 0.1517 0.1517 4.9635 4.9635 8.9752 8.9752 15.3398 15.3398 17.6148 17.6148 21.9683 21.9683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0228-0.9940 ( 523 PWs) bands (ev): -7.4996 -7.4996 -5.5886 -5.5886 0.1506 0.1506 4.1713 4.1713 9.5895 9.5895 15.3422 15.3422 19.6372 19.6372 21.0972 21.0972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0228-0.8309 ( 522 PWs) bands (ev): -8.9732 -8.9732 -3.6220 -3.6220 0.4840 0.4840 2.5998 2.5998 11.4418 11.4418 15.5084 15.5084 20.1441 20.1441 21.3310 21.3310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0228-0.6678 ( 523 PWs) bands (ev): -10.2443 -10.2443 -1.4638 -1.4638 1.1293 1.1293 1.1940 1.1940 13.5407 13.5407 15.7859 15.7859 18.9401 18.9401 20.7018 20.7018 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0228-0.5048 ( 524 PWs) bands (ev): -11.2309 -11.2309 0.1558 0.1558 0.6427 0.6427 2.0323 2.0323 15.5493 15.5493 16.0021 16.0021 17.5447 17.5447 18.7286 18.7286 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0228-0.3417 ( 525 PWs) bands (ev): -11.9127 -11.9127 -0.4596 -0.4596 2.3767 2.3767 3.0500 3.0500 15.7623 15.7623 16.2574 16.2574 17.1565 17.1565 17.2264 17.2264 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1748-0.1196 ( 533 PWs) bands (ev): -12.4046 -12.4046 -1.0595 -1.0595 4.0724 4.0724 4.0873 4.0873 15.5268 15.5268 15.5598 15.5598 15.6006 15.6006 18.7313 18.7313 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1748 0.0435 ( 529 PWs) bands (ev): -12.2774 -12.2774 -0.6414 -0.6414 3.4251 3.4251 3.7401 3.7401 14.9593 14.9593 15.6485 15.6485 16.2536 16.2536 18.1543 18.1543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1748 0.2066 ( 521 PWs) bands (ev): -11.8231 -11.8231 0.1902 0.1902 1.7846 1.7846 2.9372 2.9372 14.7030 14.7030 15.6562 15.6562 16.5958 16.5958 18.1217 18.1217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1748 0.3696 ( 518 PWs) bands (ev): -11.0427 -11.0427 -0.3123 -0.3123 1.3891 1.3891 2.0468 2.0468 14.2413 14.2413 14.9703 14.9703 15.5059 15.5059 20.6912 20.6912 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1748 0.5327 ( 522 PWs) bands (ev): -9.9437 -9.9437 -2.5088 -2.5088 1.3042 1.3042 2.8636 2.8636 11.8397 11.8397 14.9123 14.9123 15.8850 15.8850 23.4973 23.4973 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1748 0.6957 ( 528 PWs) bands (ev): -8.5520 -8.5520 -4.5997 -4.5997 0.8257 0.8257 4.3347 4.3347 9.6217 9.6217 14.7279 14.7279 17.0436 17.0436 22.6865 22.6866 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1748-1.0979 ( 524 PWs) bands (ev): -7.1920 -7.1920 -6.1815 -6.1815 0.6615 0.6615 4.6556 4.6556 8.9508 8.9508 14.6527 14.6527 18.7117 18.7117 21.6575 21.6575 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1748-0.9348 ( 520 PWs) bands (ev): -8.3622 -8.3622 -4.7373 -4.7373 0.8260 0.8260 3.2629 3.2629 10.4475 10.4475 14.7367 14.7367 20.5594 20.5594 20.8917 20.8917 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1748-0.7718 ( 519 PWs) bands (ev): -9.7496 -9.7496 -2.6103 -2.6103 1.3046 1.3046 1.6553 1.6553 12.5932 12.5932 14.9687 14.9687 19.8777 19.8777 22.2014 22.2014 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1748-0.6087 ( 522 PWs) bands (ev): -10.8699 -10.8699 -0.3747 -0.3747 0.3393 0.3393 2.0467 2.0467 14.7922 14.7922 15.2870 15.2870 18.8564 18.8564 20.6906 20.6906 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1748-0.4457 ( 525 PWs) bands (ev): -11.6936 -11.6936 -0.5707 -0.5707 1.7556 1.7556 2.9374 2.9374 15.5460 15.5460 16.7594 16.7594 17.7018 17.7018 18.1195 18.1195 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333 0.1748-0.2826 ( 527 PWs) bands (ev): -12.2078 -12.2078 -1.0391 -1.0391 3.4166 3.4166 3.7400 3.7400 15.5850 15.5850 16.2553 16.2553 16.5513 16.5513 18.2027 18.2027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3268-0.0604 ( 527 PWs) bands (ev): -12.2078 -12.2078 -1.0391 -1.0391 3.4166 3.4166 3.7400 3.7400 15.5850 15.5850 16.2553 16.2553 16.5513 16.5513 18.2027 18.2027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3268 0.1026 ( 525 PWs) bands (ev): -11.9127 -11.9127 -0.4596 -0.4596 2.3767 2.3767 3.0500 3.0500 15.7623 15.7623 16.2574 16.2574 17.1565 17.1565 17.2264 17.2264 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3268 0.2657 ( 519 PWs) bands (ev): -11.2959 -11.2959 0.5370 0.5370 0.6629 0.6629 2.0400 2.0400 15.3603 15.3603 15.8028 15.8028 16.3565 16.3565 18.7190 18.7190 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3268 0.4287 ( 521 PWs) bands (ev): -10.3614 -10.3614 -1.4117 -1.4117 1.1488 1.1488 1.8967 1.8967 13.1005 13.1005 15.7203 15.7203 16.5453 16.5453 20.8569 20.8569 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3268 0.5918 ( 527 PWs) bands (ev): -9.1226 -9.1226 -3.5297 -3.5297 0.5139 0.5139 3.4905 3.4905 10.7239 10.7239 15.5354 15.5354 17.2250 17.2250 22.2354 22.2354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3268 0.7548 ( 527 PWs) bands (ev): -7.6442 -7.6442 -5.4680 -5.4680 0.1884 0.1884 4.8134 4.8134 8.9188 8.9188 15.4108 15.4108 18.3526 18.3526 21.3367 21.3367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3268-1.0388 ( 526 PWs) bands (ev): -7.5280 -7.5280 -5.5645 -5.5645 0.1936 0.1936 4.3051 4.3051 9.3321 9.3321 15.4293 15.4293 19.5693 19.5693 20.7947 20.7947 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3268-0.8757 ( 522 PWs) bands (ev): -8.9855 -8.9855 -3.6117 -3.6117 0.5284 0.5284 2.6630 2.6630 11.2666 11.2666 15.5963 15.5963 19.5854 19.5854 21.4542 21.4542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3268-0.7127 ( 523 PWs) bands (ev): -10.2301 -10.2301 -1.4635 -1.4635 1.1133 1.1133 1.1687 1.1687 13.4295 13.4295 15.8620 15.8620 19.1717 19.1717 20.5888 20.5888 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3268-0.5496 ( 528 PWs) bands (ev): -11.1871 -11.1871 -0.0830 -0.0830 0.6439 0.6439 2.0557 2.0557 15.4560 15.4560 16.0731 16.0731 18.6087 18.6087 18.6453 18.6453 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3268-0.3866 ( 523 PWs) bands (ev): -11.8406 -11.8406 -0.8542 -0.8542 2.3915 2.3915 3.0474 3.0474 15.8964 15.8964 17.0943 17.0943 17.1254 17.1254 17.9680 17.9680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3268-0.2235 ( 528 PWs) bands (ev): -12.1826 -12.1826 -1.1744 -1.1744 3.4411 3.4411 3.7231 3.7231 15.6063 15.6063 16.2129 16.2129 17.1986 17.1986 18.1529 18.1529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.3449-0.7107 ( 525 PWs) bands (ev): -11.6936 -11.6936 -0.5707 -0.5707 1.7556 1.7556 2.9374 2.9374 15.5460 15.5460 16.7594 16.7594 17.7018 17.7018 18.1195 18.1195 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.3449-0.5476 ( 524 PWs) bands (ev): -11.2309 -11.2309 0.1558 0.1558 0.6427 0.6427 2.0323 2.0323 15.5493 15.5493 16.0021 16.0021 17.5447 17.5447 18.7286 18.7286 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.3449-0.3846 ( 521 PWs) bands (ev): -10.4550 -10.4550 -0.6866 -0.6866 0.6502 0.6502 1.2945 1.2945 13.7960 13.7960 16.9906 16.9906 17.7377 17.7377 18.8396 18.8396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.3449-0.2215 ( 526 PWs) bands (ev): -9.3751 -9.3751 -2.4156 -2.4156 -0.4087 -0.4087 2.7779 2.7779 11.7290 11.7290 17.2217 17.2217 18.0174 18.0174 20.2460 20.2460 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.3449-0.0585 ( 523 PWs) bands (ev): -8.0200 -8.0200 -4.3254 -4.3254 -0.9764 -0.9764 4.4259 4.4259 9.6461 9.6461 17.1706 17.1706 18.3273 18.3273 21.2771 21.2771 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.3449 0.1046 ( 524 PWs) bands (ev): -6.7641 -6.7641 -5.7825 -5.7825 -1.1503 -1.1503 5.3256 5.3256 8.5405 8.5405 17.1852 17.1852 18.5610 18.5610 21.0974 21.0974 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.3449-1.6890 ( 527 PWs) bands (ev): -7.9650 -7.9650 -4.3610 -4.3610 -0.9552 -0.9552 4.1052 4.1052 9.8040 9.8040 17.3522 17.3522 18.5639 18.5639 21.1759 21.1759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.3449-1.5260 ( 527 PWs) bands (ev): -9.3180 -9.3180 -2.4311 -2.4311 -0.3762 -0.3762 2.4314 2.4314 11.7243 11.7243 17.5646 17.5646 18.5660 18.5660 20.0776 20.0776 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.3449-1.3629 ( 529 PWs) bands (ev): -10.4038 -10.4038 -0.6609 -0.6609 0.6659 0.6659 0.9967 0.9967 13.5642 13.5642 17.2078 17.2078 18.5995 18.5995 18.8061 18.8061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.3449-1.1999 ( 526 PWs) bands (ev): -11.1921 -11.1921 -0.0584 -0.0584 0.7021 0.7021 2.0238 2.0238 15.1798 15.1798 15.9813 15.9813 18.5210 18.5210 18.6919 18.6919 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.3449-1.0368 ( 520 PWs) bands (ev): -11.6726 -11.6726 -0.6824 -0.6824 1.8139 1.8139 2.9153 2.9153 15.5013 15.5013 16.4597 16.4597 18.0720 18.0720 18.3112 18.3112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.3449-0.8738 ( 523 PWs) bands (ev): -11.8406 -11.8406 -0.8542 -0.8542 2.3915 2.3915 3.0474 3.0474 15.8964 15.8964 17.0943 17.0943 17.1254 17.1254 17.9680 17.9680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1929-0.6516 ( 522 PWs) bands (ev): -10.8699 -10.8699 -0.3746 -0.3746 0.3393 0.3393 2.0467 2.0467 14.7922 14.7922 15.2870 15.2870 18.8564 18.8564 20.6905 20.6905 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1929-0.4885 ( 523 PWs) bands (ev): -10.2443 -10.2443 -1.4638 -1.4638 1.1293 1.1293 1.1940 1.1940 13.5407 13.5407 15.7859 15.7859 18.9401 18.9401 20.7018 20.7018 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1929-0.3255 ( 522 PWs) bands (ev): -9.3185 -9.3185 -2.4457 -2.4457 -0.4274 -0.4274 2.4415 2.4415 11.9876 11.9876 17.3359 17.3359 18.8818 18.8818 20.1159 20.1159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1929-0.1624 ( 517 PWs) bands (ev): -8.1139 -8.1139 -3.4698 -3.4698 -1.9267 -1.9267 4.0008 4.0008 10.2646 10.2646 18.1961 18.1961 19.7190 19.7190 19.7841 19.7841 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1929 0.0006 ( 516 PWs) bands (ev): -6.7105 -6.7105 -4.8897 -4.8897 -2.6254 -2.6254 5.6277 5.6277 8.5696 8.5696 17.8137 17.8137 19.5893 19.5893 21.2963 21.2963 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1929 0.1637 ( 514 PWs) bands (ev): -6.7331 -6.7331 -4.8684 -4.8684 -2.6105 -2.6105 5.7423 5.7423 8.4198 8.4198 17.6767 17.6767 19.5563 19.5563 21.4296 21.4296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1929-1.6299 ( 527 PWs) bands (ev): -8.1404 -8.1404 -3.4324 -3.4324 -1.8992 -1.8992 4.1490 4.1490 9.9595 9.9595 17.8983 17.8983 19.5532 19.5532 19.9699 19.9699 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1929-1.4669 ( 525 PWs) bands (ev): -9.3442 -9.3442 -2.3756 -2.3756 -0.4135 -0.4135 2.5794 2.5794 11.4895 11.4895 17.3176 17.3176 18.3520 18.3520 20.3769 20.3769 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1929-1.3038 ( 526 PWs) bands (ev): -10.2657 -10.2657 -1.3747 -1.3747 1.1285 1.1285 1.3044 1.3044 12.8868 12.8868 15.7212 15.7212 18.4026 18.4026 20.9443 20.9443 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1929-1.1408 ( 527 PWs) bands (ev): -10.8843 -10.8843 -0.2846 -0.2846 0.4108 0.4108 2.0255 2.0255 14.1723 14.1723 15.1893 15.1893 18.4752 18.4752 20.6528 20.6528 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1929-0.9777 ( 526 PWs) bands (ev): -11.1921 -11.1921 -0.0584 -0.0584 0.7021 0.7021 2.0238 2.0238 15.1798 15.1798 15.9813 15.9813 18.5210 18.5210 18.6919 18.6919 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.1929-0.8146 ( 528 PWs) bands (ev): -11.1871 -11.1871 -0.0830 -0.0830 0.6440 0.6440 2.0556 2.0556 15.4560 15.4560 16.0731 16.0731 18.6087 18.6087 18.6453 18.6453 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0409-0.5925 ( 519 PWs) bands (ev): -9.7496 -9.7496 -2.6103 -2.6103 1.3046 1.3046 1.6553 1.6553 12.5932 12.5932 14.9687 14.9687 19.8777 19.8777 22.2014 22.2014 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0409-0.4294 ( 522 PWs) bands (ev): -8.9732 -8.9732 -3.6220 -3.6220 0.4839 0.4839 2.5998 2.5998 11.4418 11.4418 15.5084 15.5084 20.1441 20.1441 21.3310 21.3310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0409-0.2664 ( 515 PWs) bands (ev): -7.9248 -7.9248 -4.3943 -4.3943 -1.0153 -1.0153 3.8915 3.8915 10.1818 10.1818 17.1468 17.1468 19.6109 19.6109 20.7343 20.7343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0409-0.1033 ( 519 PWs) bands (ev): -6.6712 -6.6712 -4.9257 -4.9257 -2.6506 -2.6506 5.4230 5.4230 8.8571 8.8571 18.3652 18.3652 19.3667 19.3667 20.6978 20.6978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0409 0.0598 ( 514 PWs) bands (ev): -5.5500 -5.5500 -5.4872 -5.4872 -3.5393 -3.5393 6.9964 6.9964 7.4575 7.4575 17.7518 17.7518 20.1608 20.1608 21.5918 21.5918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.9998 0.9998 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0409 0.2228 ( 515 PWs) bands (ev): -6.7593 -6.7593 -4.8836 -4.8836 -2.5984 -2.5984 5.9204 5.9204 8.4594 8.4594 17.7516 17.7516 19.8564 19.8564 20.3426 20.3426 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0409-1.5708 ( 523 PWs) bands (ev): -8.0202 -8.0202 -4.3258 -4.3258 -0.9758 -0.9758 4.4238 4.4238 9.6515 9.6515 17.2038 17.2038 18.3644 18.3644 20.9144 20.9144 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0409-1.4078 ( 526 PWs) bands (ev): -9.0601 -9.0601 -3.5313 -3.5313 0.4995 0.4995 3.0811 3.0811 10.7313 10.7313 15.4984 15.4984 18.3515 18.3515 22.2626 22.2626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0409-1.2447 ( 522 PWs) bands (ev): -9.8156 -9.8156 -2.5106 -2.5106 1.2918 1.2918 2.0147 2.0147 11.8285 11.8285 14.8854 14.8854 18.3442 18.3442 23.5278 23.5278 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0409-1.0816 ( 526 PWs) bands (ev): -10.2657 -10.2657 -1.3747 -1.3747 1.1285 1.1285 1.3044 1.3044 12.8868 12.8868 15.7212 15.7212 18.4026 18.4026 20.9442 20.9442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0409-0.9186 ( 529 PWs) bands (ev): -10.4038 -10.4038 -0.6608 -0.6608 0.6659 0.6659 0.9967 0.9967 13.5642 13.5642 17.2078 17.2078 18.5995 18.5995 18.8060 18.8060 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-1.0409-0.7555 ( 523 PWs) bands (ev): -10.2301 -10.2301 -1.4635 -1.4635 1.1133 1.1133 1.1687 1.1687 13.4295 13.4295 15.8620 15.8620 19.1717 19.1717 20.5888 20.5888 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.8890-0.5334 ( 520 PWs) bands (ev): -8.3622 -8.3622 -4.7372 -4.7372 0.8259 0.8259 3.2629 3.2629 10.4475 10.4475 14.7367 14.7367 20.5594 20.5594 20.8917 20.8917 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.8890-0.3703 ( 523 PWs) bands (ev): -7.4996 -7.4996 -5.5886 -5.5886 0.1505 0.1505 4.1713 4.1713 9.5895 9.5895 15.3422 15.3422 19.6372 19.6372 21.0971 21.0971 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.8890-0.2072 ( 517 PWs) bands (ev): -6.7708 -6.7708 -5.7772 -5.7772 -1.2053 -1.2053 5.2368 5.2368 8.8693 8.8693 17.0495 17.0495 18.8895 18.8895 20.4747 20.4747 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.8890-0.0442 ( 518 PWs) bands (ev): -6.8104 -6.8104 -4.8218 -4.8218 -2.6489 -2.6489 6.1059 6.1059 8.4516 8.4516 18.3534 18.3534 18.9303 18.9303 20.1484 20.1484 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.8890 0.1189 ( 516 PWs) bands (ev): -6.8039 -6.8039 -4.9092 -4.9092 -2.5774 -2.5774 6.2467 6.2467 8.5152 8.5152 18.1085 18.1085 19.5497 19.5497 20.0189 20.0189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.8890 0.2819 ( 525 PWs) bands (ev): -6.8176 -6.8176 -5.8246 -5.8246 -1.1376 -1.1376 5.6957 5.6957 8.8156 8.8156 17.3006 17.3006 18.7155 18.7155 19.7511 19.7511 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.8890-1.5117 ( 525 PWs) bands (ev): -7.6258 -7.6258 -5.5322 -5.5322 0.1853 0.1853 4.8109 4.8109 9.2426 9.2426 15.4447 15.4447 18.7827 18.7827 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 = 0.3333-0.8890-1.3486 ( 533 PWs) bands (ev): -8.4739 -8.4739 -4.6595 -4.6595 0.8263 0.8263 3.8684 3.8684 9.8965 9.8965 14.7344 14.7344 18.5249 18.5249 21.9398 21.9398 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.8890-1.1856 ( 526 PWs) bands (ev): -9.0601 -9.0601 -3.5313 -3.5313 0.4995 0.4995 3.0811 3.0811 10.7313 10.7313 15.4984 15.4984 18.3515 18.3515 22.2626 22.2626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.8890-1.0225 ( 525 PWs) bands (ev): -9.3442 -9.3442 -2.3756 -2.3756 -0.4135 -0.4135 2.5794 2.5794 11.4895 11.4895 17.3176 17.3176 18.3520 18.3520 20.3769 20.3769 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.8890-0.8595 ( 527 PWs) bands (ev): -9.3180 -9.3180 -2.4311 -2.4311 -0.3762 -0.3762 2.4314 2.4314 11.7243 11.7243 17.5646 17.5646 18.5660 18.5660 20.0776 20.0776 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.8890-0.6964 ( 522 PWs) bands (ev): -8.9855 -8.9855 -3.6117 -3.6117 0.5283 0.5283 2.6630 2.6630 11.2666 11.2666 15.5963 15.5963 19.5854 19.5854 21.4542 21.4542 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7370-0.4742 ( 524 PWs) bands (ev): -7.1921 -7.1921 -6.1815 -6.1815 0.6614 0.6614 4.6556 4.6556 8.9508 8.9508 14.6527 14.6527 18.7117 18.7117 21.6575 21.6575 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7370-0.3112 ( 525 PWs) bands (ev): -7.6885 -7.6885 -5.4300 -5.4300 0.1517 0.1517 4.9635 4.9635 8.9752 8.9752 15.3398 15.3398 17.6148 17.6148 21.9683 21.9683 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7370-0.1481 ( 515 PWs) bands (ev): -8.1267 -8.1267 -4.2521 -4.2521 -1.0172 -1.0172 5.0917 5.0917 9.4394 9.4394 16.8350 16.8350 17.2731 17.2732 21.2250 23.0480 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7370 0.0149 ( 517 PWs) bands (ev): -8.2762 -8.2762 -3.4338 -3.4338 -1.8945 -1.8945 5.1103 5.1103 9.9457 9.9457 16.7786 16.7786 19.2663 19.2663 20.2336 20.2336 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7370 0.1780 ( 517 PWs) bands (ev): -8.1163 -8.1163 -4.3877 -4.3877 -0.9359 -0.9359 5.1326 5.1326 9.9876 9.9876 17.0652 17.0652 17.6301 17.6301 20.2535 20.2535 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7370 0.3410 ( 529 PWs) bands (ev): -7.6749 -7.6749 -5.5702 -5.5702 0.2008 0.2008 5.1679 5.1679 9.5644 9.5644 15.5428 15.5428 18.0595 18.0595 19.9615 19.9615 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7370-1.4526 ( 524 PWs) bands (ev): -7.2422 -7.2422 -6.2349 -6.2349 0.6759 0.6759 5.0983 5.0983 9.1824 9.1824 14.7565 14.7565 19.2289 19.2289 19.4648 19.4648 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7370-1.2895 ( 525 PWs) bands (ev): -7.6258 -7.6258 -5.5322 -5.5322 0.1853 0.1853 4.8109 4.8109 9.2426 9.2426 15.4447 15.4447 18.7827 18.7827 20.5932 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 = 0.3333-0.7370-1.1265 ( 523 PWs) bands (ev): -8.0202 -8.0202 -4.3258 -4.3258 -0.9758 -0.9758 4.4238 4.4238 9.6515 9.6515 17.2038 17.2038 18.3644 18.3644 20.9144 20.9144 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7370-0.9634 ( 527 PWs) bands (ev): -8.1404 -8.1404 -3.4324 -3.4324 -1.8992 -1.8992 4.1490 4.1490 9.9595 9.9595 17.8983 17.8983 19.5532 19.5532 19.9698 19.9698 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7370-0.8004 ( 527 PWs) bands (ev): -7.9650 -7.9650 -4.3610 -4.3610 -0.9552 -0.9552 4.1052 4.1052 9.8040 9.8040 17.3522 17.3522 18.5639 18.5639 21.1759 21.1759 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.7370-0.6373 ( 526 PWs) bands (ev): -7.5281 -7.5281 -5.5644 -5.5644 0.1935 0.1935 4.3051 4.3051 9.3321 9.3321 15.4293 15.4293 19.5693 19.5693 20.7947 20.7947 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5850-0.4151 ( 528 PWs) bands (ev): -8.5520 -8.5520 -4.5997 -4.5997 0.8257 0.8257 4.3347 4.3347 9.6217 9.6217 14.7279 14.7279 17.0436 17.0436 22.6865 22.6865 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 = 0.3333-0.5850-0.2521 ( 523 PWs) bands (ev): -9.1937 -9.1937 -3.4853 -3.4853 0.4873 0.4873 3.9934 3.9934 10.5485 10.5485 15.4282 15.4282 16.0186 16.0186 22.9024 22.9024 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5850-0.0890 ( 519 PWs) bands (ev): -9.5237 -9.5237 -2.3531 -2.3531 -0.4244 -0.4244 3.8426 3.8426 11.4118 11.4118 15.2654 15.2654 17.4271 17.4271 20.6679 20.6679 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5850 0.0740 ( 522 PWs) bands (ev): -9.5284 -9.5284 -2.4445 -2.4445 -0.3621 -0.3621 3.8991 3.8991 11.7667 11.7667 15.1977 15.1977 17.7394 17.7394 19.9911 19.9911 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5850 0.2371 ( 525 PWs) bands (ev): -9.2072 -9.2072 -3.6184 -3.6184 0.5405 0.5405 4.1598 4.1598 11.3830 11.3830 15.4998 15.4998 15.9567 15.9567 21.3026 21.3026 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5850 0.4002 ( 527 PWs) bands (ev): -8.5737 -8.5737 -4.7294 -4.7294 0.8500 0.8500 4.6036 4.6036 10.5179 10.5179 14.8965 14.8965 16.7126 16.7126 20.8126 20.8126 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5850-1.3935 ( 529 PWs) bands (ev): -7.6749 -7.6749 -5.5702 -5.5702 0.2008 0.2008 5.1679 5.1679 9.5644 9.5644 15.5428 15.5428 18.0595 18.0595 19.9615 19.9615 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5850-1.2304 ( 525 PWs) bands (ev): -6.8176 -6.8176 -5.8246 -5.8246 -1.1376 -1.1376 5.6957 5.6957 8.8156 8.8156 17.3006 17.3006 18.7155 18.7155 19.7511 19.7511 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5850-1.0674 ( 515 PWs) bands (ev): -6.7593 -6.7593 -4.8836 -4.8836 -2.5984 -2.5984 5.9204 5.9204 8.4594 8.4594 17.7516 17.7516 19.8563 19.8563 20.3426 20.3426 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5850-0.9043 ( 514 PWs) bands (ev): -6.7331 -6.7331 -4.8684 -4.8684 -2.6105 -2.6105 5.7423 5.7423 8.4198 8.4198 17.6767 17.6767 19.5563 19.5563 21.4296 21.4296 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5850-0.7412 ( 524 PWs) bands (ev): -6.7641 -6.7641 -5.7825 -5.7825 -1.1503 -1.1503 5.3256 5.3256 8.5405 8.5405 17.1852 17.1852 18.5610 18.5610 21.0974 21.0974 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3333-0.5850-0.5782 ( 527 PWs) bands (ev): -7.6442 -7.6442 -5.4680 -5.4680 0.1884 0.1884 4.8134 4.8134 8.9188 8.9188 15.4108 15.4108 18.3527 18.3527 21.3367 21.3367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5413-0.4450 ( 527 PWs) bands (ev): -8.5026 -8.5026 -4.6376 -4.6376 0.8257 0.8257 4.0388 4.0388 9.7766 9.7766 14.7302 14.7302 17.9681 17.9681 22.3085 22.3085 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5413-0.2820 ( 526 PWs) bands (ev): -9.1512 -9.1512 -3.5127 -3.5127 0.4957 0.4957 3.6855 3.6855 10.6626 10.6626 15.5105 15.5105 16.7288 16.7288 22.5035 22.5035 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5413-0.1189 ( 521 PWs) bands (ev): -9.4930 -9.4930 -2.3652 -2.3652 -0.4175 -0.4175 3.5959 3.5959 11.4539 11.4539 15.7953 15.7953 17.4532 17.4532 20.5512 20.5512 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5413 0.0442 ( 521 PWs) bands (ev): -9.5125 -9.5125 -2.4384 -2.4384 -0.3670 -0.3670 3.7646 3.7646 11.7448 11.7448 15.4650 15.4650 17.7243 17.7243 19.9931 19.9931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5413 0.2072 ( 525 PWs) bands (ev): -9.2072 -9.2072 -3.6184 -3.6184 0.5405 0.5405 4.1598 4.1598 11.3830 11.3830 15.4998 15.4998 15.9567 15.9567 21.3026 21.3026 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5413 0.3703 ( 530 PWs) bands (ev): -8.5889 -8.5889 -4.7400 -4.7400 0.8537 0.8537 4.7285 4.7285 10.6242 10.6242 14.9204 14.9204 16.4343 16.4343 20.6640 20.6640 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5413-1.4234 ( 528 PWs) bands (ev): -7.7028 -7.7028 -5.5917 -5.5917 0.2098 0.2098 5.3873 5.3873 9.7616 9.7616 15.6001 15.6001 17.6070 17.6070 19.6847 19.6847 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5413-1.2603 ( 524 PWs) bands (ev): -6.8562 -6.8562 -5.8534 -5.8534 -1.1197 -1.1197 5.9834 5.9834 8.9991 8.9991 17.4404 17.4404 18.8793 18.8793 18.9821 18.9821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5413-1.0972 ( 516 PWs) bands (ev): -6.8039 -6.8039 -4.9092 -4.9092 -2.5774 -2.5774 6.2467 6.2467 8.5152 8.5152 18.1085 18.1085 19.5497 19.5497 20.0189 20.0189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5413-0.9342 ( 517 PWs) bands (ev): -6.7779 -6.7779 -4.8417 -4.8417 -2.6331 -2.6331 5.9656 5.9656 8.4142 8.4142 17.9708 17.9708 19.2005 19.2005 20.8741 20.8741 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5413-0.7711 ( 520 PWs) bands (ev): -6.7641 -6.7641 -5.7846 -5.7846 -1.1739 -1.1739 5.3254 5.3254 8.6051 8.6051 17.1173 17.1173 18.7606 18.7606 21.1188 21.1188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.5413-0.6081 ( 526 PWs) bands (ev): -7.5967 -7.5967 -5.5097 -5.5097 0.1757 0.1757 4.6191 4.6191 9.0588 9.0588 15.3837 15.3837 19.0941 19.0941 21.2664 21.2664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3894-0.3859 ( 522 PWs) bands (ev): -9.8808 -9.8808 -2.5432 -2.5432 1.3045 1.3045 2.4304 2.4304 12.0600 12.0600 14.9536 14.9536 17.0349 17.0349 23.1163 23.1163 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3894-0.2228 ( 522 PWs) bands (ev): -10.3954 -10.3954 -1.3977 -1.3977 1.1436 1.1436 2.1273 2.1273 13.0124 13.0124 15.5784 15.5784 16.0617 16.0617 20.9305 20.9305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3894-0.0598 ( 521 PWs) bands (ev): -10.5888 -10.5888 -0.6601 -0.6601 0.6694 0.6694 2.1814 2.1814 13.5462 13.5462 14.9495 14.9495 17.3434 17.3434 18.8824 18.8824 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3894 0.1033 ( 519 PWs) bands (ev): -10.4535 -10.4535 -1.4494 -1.4494 1.1707 1.1707 2.5671 2.5671 13.3271 13.3271 14.6518 14.6518 16.0367 16.0367 20.7174 20.7174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3894 0.2663 ( 522 PWs) bands (ev): -9.9899 -9.9899 -2.5998 -2.5998 1.3279 1.3279 3.2438 3.2438 12.5191 12.5191 14.7557 14.7557 15.3329 15.3329 22.3166 22.3166 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3894 0.4294 ( 525 PWs) bands (ev): -9.2072 -9.2072 -3.6184 -3.6184 0.5405 0.5405 4.1598 4.1598 11.3830 11.3830 15.4998 15.4998 15.9567 15.9567 21.3027 21.3027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3894-1.3642 ( 516 PWs) bands (ev): -8.1307 -8.1307 -4.3971 -4.3971 -0.9297 -0.9297 5.2530 5.2530 10.0386 10.0386 16.9006 16.9006 17.6227 17.6227 20.3997 20.3997 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3894-1.2012 ( 513 PWs) bands (ev): -6.8292 -6.8292 -4.9241 -4.9241 -2.5648 -2.5648 6.4443 6.4443 8.5446 8.5446 18.4186 18.4186 19.4669 19.4669 20.0805 20.0805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3894-1.0381 ( 517 PWs) bands (ev): -5.5840 -5.5840 -5.4765 -5.4765 -3.5447 -3.5447 6.9024 6.9024 7.7294 7.7294 18.4626 18.4626 19.6216 19.6216 20.6115 20.6115 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3894-0.8751 ( 519 PWs) bands (ev): -6.6712 -6.6712 -4.9257 -4.9257 -2.6506 -2.6506 5.4230 5.4230 8.8571 8.8571 18.3652 18.3652 19.3667 19.3667 20.6978 20.6978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3894-0.7120 ( 521 PWs) bands (ev): -7.9655 -7.9655 -4.3655 -4.3655 -0.9990 -0.9990 4.1134 4.1134 9.9410 9.9410 17.1599 17.1599 18.9811 18.9811 21.1809 21.1809 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.3894-0.5490 ( 524 PWs) bands (ev): -9.0606 -9.0606 -3.5692 -3.5692 0.5011 0.5011 3.0982 3.0982 11.0002 11.0002 15.5258 15.5258 18.3411 18.3411 22.0112 22.0112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2374-0.3268 ( 521 PWs) bands (ev): -10.9713 -10.9713 -0.3388 -0.3388 0.9204 0.9204 2.0466 2.0466 14.4850 14.4850 15.2664 15.2664 16.5325 16.5325 20.6915 20.6915 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2374-0.1637 ( 524 PWs) bands (ev): -11.3328 -11.3328 0.6726 0.6726 0.7713 0.7713 2.0446 2.0446 15.0920 15.0920 15.4515 15.4515 16.1772 16.1772 18.7219 18.7219 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2374-0.0007 ( 521 PWs) bands (ev): -11.3690 -11.3690 0.6646 0.6646 1.0172 1.0172 2.0507 2.0507 14.5936 14.5936 15.2924 15.2924 16.2142 16.2142 18.7174 18.7174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2374 0.1624 ( 514 PWs) bands (ev): -11.0755 -11.0755 -0.3502 -0.3502 1.6297 1.6297 2.0598 2.0598 14.2892 14.2892 14.6142 14.6142 15.5153 15.5153 20.7133 20.7133 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2374 0.3254 ( 519 PWs) bands (ev): -10.4535 -10.4535 -1.4495 -1.4495 1.1707 1.1707 2.5671 2.5671 13.3271 13.3271 14.6518 14.6518 16.0367 16.0367 20.7174 20.7174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2374 0.4885 ( 521 PWs) bands (ev): -9.5125 -9.5125 -2.4384 -2.4384 -0.3670 -0.3670 3.7646 3.7646 11.7448 11.7448 15.4650 15.4650 17.7244 17.7244 19.9931 19.9931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2374-1.3051 ( 517 PWs) bands (ev): -8.2762 -8.2762 -3.4338 -3.4338 -1.8945 -1.8945 5.1103 5.1103 9.9457 9.9457 16.7786 16.7786 19.2663 19.2663 20.2337 20.2337 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2374-1.1421 ( 515 PWs) bands (ev): -6.8222 -6.8222 -4.8144 -4.8144 -2.6544 -2.6544 6.1507 6.1507 8.4772 8.4772 18.4202 18.4202 19.0912 19.0912 19.7044 19.7044 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2374-0.9790 ( 517 PWs) bands (ev): -6.6483 -6.6483 -4.9462 -4.9462 -2.6648 -2.6648 5.3039 5.3039 9.0378 9.0378 18.9404 18.9404 19.2920 19.2920 20.0217 20.0217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2374-0.8160 ( 515 PWs) bands (ev): -8.0722 -8.0722 -3.4973 -3.4973 -1.9463 -1.9463 3.7641 3.7641 10.5043 10.5043 18.7578 18.7578 19.5976 19.5976 19.6370 19.6370 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2374-0.6529 ( 522 PWs) bands (ev): -9.3185 -9.3185 -2.4457 -2.4457 -0.4274 -0.4274 2.4415 2.4415 11.9876 11.9876 17.3359 17.3359 18.8818 18.8818 20.1159 20.1159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.2374-0.4898 ( 523 PWs) bands (ev): -10.2945 -10.2945 -1.4419 -1.4419 1.1374 1.1374 1.4803 1.4803 13.3474 13.3474 15.7826 15.7826 17.8002 17.8002 20.7777 20.7777 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.0854-0.2677 ( 529 PWs) bands (ev): -11.7493 -11.7493 -0.2617 -0.2617 1.7679 1.7679 2.9371 2.9371 15.5014 15.5014 16.3253 16.3253 16.7408 16.7408 18.1212 18.1212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.0854-0.1046 ( 523 PWs) bands (ev): -11.9489 -11.9489 -0.2455 -0.2455 2.3923 2.3923 3.0521 3.0521 15.2784 15.2784 15.9837 15.9837 17.0778 17.0778 17.1800 17.1800 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.0854 0.0584 ( 521 PWs) bands (ev): -11.8232 -11.8232 0.1899 0.1899 1.7845 1.7845 2.9377 2.9377 14.7137 14.7137 15.6223 15.6223 16.6326 16.6326 18.1186 18.1186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.0854 0.2215 ( 521 PWs) bands (ev): -11.3690 -11.3690 0.6646 0.6646 1.0172 1.0172 2.0507 2.0507 14.5936 14.5936 15.2924 15.2924 16.2142 16.2142 18.7174 18.7174 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.0854 0.3846 ( 521 PWs) bands (ev): -10.5888 -10.5888 -0.6602 -0.6602 0.6695 0.6695 2.1814 2.1814 13.5462 13.5462 14.9495 14.9495 17.3434 17.3434 18.8825 18.8825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.0854 0.5476 ( 521 PWs) bands (ev): -9.4930 -9.4930 -2.3652 -2.3652 -0.4175 -0.4175 3.5959 3.5959 11.4539 11.4539 15.7953 15.7953 17.4532 17.4532 20.5512 20.5512 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.0854-1.2460 ( 516 PWs) bands (ev): -8.1127 -8.1127 -4.2621 -4.2621 -1.0118 -1.0118 5.0010 5.0010 9.4550 9.4550 17.0070 17.0070 17.3260 17.3260 21.1632 21.1632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.0854-1.0830 ( 517 PWs) bands (ev): -6.7708 -6.7708 -5.7773 -5.7773 -1.2053 -1.2053 5.2368 5.2368 8.8693 8.8693 17.0496 17.0496 18.8895 18.8895 20.4747 20.4747 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.0854-0.9199 ( 519 PWs) bands (ev): -7.9098 -7.9098 -4.4049 -4.4049 -1.0213 -1.0213 3.8116 3.8116 10.2754 10.2754 17.1409 17.1409 20.0268 20.0268 20.3735 20.3735 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.0854-0.7568 ( 526 PWs) bands (ev): -9.2853 -9.2853 -2.4629 -2.4629 -0.4382 -0.4382 2.2555 2.2555 12.1452 12.1452 17.3452 17.3452 19.5440 19.5440 19.9904 19.9904 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.0854-0.5938 ( 527 PWs) bands (ev): -10.4043 -10.4043 -0.7065 -0.7065 0.6381 0.6381 1.0046 1.0046 13.9760 13.9760 17.1139 17.1139 18.7253 18.7253 18.8212 18.8212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.0854-0.4307 ( 524 PWs) bands (ev): -11.2309 -11.2309 0.1558 0.1558 0.6427 0.6427 2.0323 2.0323 15.5492 15.5492 16.0021 16.0021 17.5447 17.5447 18.7286 18.7286 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0665-0.2086 ( 527 PWs) bands (ev): -12.2078 -12.2078 -1.0391 -1.0391 3.4166 3.4166 3.7400 3.7400 15.5850 15.5850 16.2553 16.2553 16.5513 16.5513 18.2027 18.2027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0665-0.0455 ( 526 PWs) bands (ev): -12.2402 -12.2402 -0.8591 -0.8591 3.4363 3.4363 3.7305 3.7305 15.5414 15.5414 15.8521 15.8521 16.2313 16.2313 18.1443 18.1443 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0665 0.1176 ( 523 PWs) bands (ev): -11.9489 -11.9489 -0.2455 -0.2455 2.3923 2.3923 3.0521 3.0521 15.2784 15.2784 15.9837 15.9837 17.0778 17.0778 17.1801 17.1801 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0665 0.2806 ( 524 PWs) bands (ev): -11.3328 -11.3328 0.6725 0.6725 0.7713 0.7713 2.0447 2.0447 15.0920 15.0920 15.4515 15.4515 16.1772 16.1772 18.7219 18.7219 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0665 0.4437 ( 522 PWs) bands (ev): -10.3954 -10.3954 -1.3978 -1.3978 1.1436 1.1436 2.1273 2.1273 13.0124 13.0124 15.5784 15.5784 16.0617 16.0617 20.9305 20.9305 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0665 0.6067 ( 526 PWs) bands (ev): -9.1512 -9.1512 -3.5127 -3.5127 0.4957 0.4957 3.6855 3.6855 10.6626 10.6626 15.5105 15.5105 16.7288 16.7288 22.5035 22.5035 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0665-1.1869 ( 524 PWs) bands (ev): -7.6641 -7.6641 -5.4519 -5.4519 0.1581 0.1581 4.8847 4.8847 8.9575 8.9575 15.3531 15.3531 18.0669 18.0669 21.7331 21.7331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0665-1.0238 ( 520 PWs) bands (ev): -7.5128 -7.5128 -5.5784 -5.5784 0.1540 0.1540 4.2341 4.2341 9.5003 9.5003 15.3469 15.3469 19.7425 19.7425 20.9796 20.9796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0665-0.8608 ( 522 PWs) bands (ev): -8.9732 -8.9732 -3.6220 -3.6220 0.4840 0.4840 2.5998 2.5998 11.4418 11.4418 15.5084 15.5084 20.1441 20.1441 21.3310 21.3310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0665-0.6977 ( 522 PWs) bands (ev): -10.2256 -10.2256 -1.4717 -1.4717 1.0920 1.0920 1.1270 1.1270 13.6142 13.6142 15.7850 15.7850 19.4346 19.4346 20.6606 20.6606 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0665-0.5347 ( 523 PWs) bands (ev): -11.1923 -11.1923 -0.0532 -0.0532 0.6313 0.6313 2.0277 2.0277 15.6529 15.6529 16.0107 16.0107 18.5391 18.5391 18.7332 18.7332 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.0665-0.3716 ( 527 PWs) bands (ev): -11.8563 -11.8563 -0.7706 -0.7706 2.3647 2.3647 3.0474 3.0474 15.8508 15.8508 17.2036 17.2036 17.2890 17.2890 17.5284 17.5284 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2185-0.1494 ( 527 PWs) bands (ev): -12.3463 -12.3463 -1.3765 -1.3765 4.0668 4.0668 4.0895 4.0895 15.5087 15.5087 15.5674 15.5674 17.0348 17.0348 18.7564 18.7564 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2185 0.0136 ( 527 PWs) bands (ev): -12.2078 -12.2078 -1.0391 -1.0391 3.4166 3.4166 3.7400 3.7400 15.5850 15.5850 16.2553 16.2553 16.5513 16.5513 18.2027 18.2027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2185 0.1767 ( 529 PWs) bands (ev): -11.7493 -11.7493 -0.2617 -0.2617 1.7679 1.7679 2.9371 2.9371 15.5014 15.5014 16.3253 16.3253 16.7408 16.7408 18.1212 18.1212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2185 0.3397 ( 521 PWs) bands (ev): -10.9713 -10.9713 -0.3388 -0.3388 0.9204 0.9204 2.0467 2.0467 14.4850 14.4850 15.2664 15.2664 16.5325 16.5325 20.6915 20.6915 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2185 0.5028 ( 522 PWs) bands (ev): -9.8808 -9.8808 -2.5433 -2.5433 1.3045 1.3045 2.4304 2.4304 12.0599 12.0599 14.9536 14.9536 17.0349 17.0349 23.1162 23.1162 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2185 0.6658 ( 527 PWs) bands (ev): -8.5026 -8.5026 -4.6376 -4.6376 0.8257 0.8257 4.0388 4.0388 9.7766 9.7766 14.7302 14.7302 17.9681 17.9681 22.3085 22.3085 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2185-1.1278 ( 527 PWs) bands (ev): -7.1879 -7.1879 -6.1880 -6.1880 0.6614 0.6614 4.7042 4.7042 8.8318 8.8318 14.6505 14.6505 19.2772 19.2772 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 = 0.4167 0.2185-0.9647 ( 525 PWs) bands (ev): -8.3926 -8.3926 -4.7167 -4.7167 0.8258 0.8258 3.4222 3.4222 10.2780 10.2780 14.7349 14.7349 19.9931 19.9931 21.2428 21.2428 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2185-0.8017 ( 519 PWs) bands (ev): -9.7676 -9.7676 -2.6014 -2.6014 1.3045 1.3045 1.7535 1.7535 12.5150 12.5150 14.9679 14.9679 19.4147 19.4147 22.3536 22.3536 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2185-0.6386 ( 522 PWs) bands (ev): -10.8699 -10.8699 -0.3747 -0.3747 0.3393 0.3393 2.0467 2.0467 14.7922 14.7922 15.2870 15.2870 18.8564 18.8564 20.6906 20.6906 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2185-0.4756 ( 522 PWs) bands (ev): -11.6727 -11.6727 -0.6800 -0.6800 1.7512 1.7512 2.9375 2.9375 15.5508 15.5508 16.7969 16.7969 18.1189 18.1189 18.2978 18.2978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.2185-0.3125 ( 526 PWs) bands (ev): -12.1666 -12.1666 -1.2571 -1.2571 3.4116 3.4116 3.7402 3.7402 15.5881 15.5881 16.2573 16.2573 17.6698 17.6698 18.2300 18.2300 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.4531-0.7997 ( 526 PWs) bands (ev): -12.1666 -12.1666 -1.2571 -1.2571 3.4117 3.4117 3.7402 3.7402 15.5881 15.5881 16.2572 16.2572 17.6698 17.6698 18.2300 18.2300 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.4531-0.6366 ( 527 PWs) bands (ev): -11.8563 -11.8563 -0.7706 -0.7706 2.3647 2.3647 3.0474 3.0474 15.8508 15.8508 17.2036 17.2036 17.2890 17.2890 17.5284 17.5284 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.4531-0.4736 ( 524 PWs) bands (ev): -11.2309 -11.2309 0.1558 0.1558 0.6427 0.6427 2.0323 2.0323 15.5492 15.5492 16.0021 16.0021 17.5447 17.5447 18.7286 18.7286 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.4531-0.3105 ( 523 PWs) bands (ev): -10.2945 -10.2945 -1.4420 -1.4420 1.1375 1.1375 1.4803 1.4803 13.3474 13.3474 15.7825 15.7825 17.8002 17.8002 20.7777 20.7777 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.4531-0.1475 ( 524 PWs) bands (ev): -9.0606 -9.0606 -3.5692 -3.5692 0.5011 0.5011 3.0982 3.0982 11.0002 11.0002 15.5259 15.5259 18.3411 18.3411 22.0112 22.0112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.4531 0.0156 ( 526 PWs) bands (ev): -7.5967 -7.5967 -5.5097 -5.5097 0.1757 0.1757 4.6191 4.6191 9.0588 9.0588 15.3837 15.3837 19.0941 19.0941 21.2664 21.2664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.4531-1.7780 ( 525 PWs) bands (ev): -7.5717 -7.5717 -5.5301 -5.5301 0.1822 0.1822 4.5080 4.5080 9.1411 9.1411 15.4033 15.4033 19.3413 19.3413 21.1008 21.1008 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.4531-1.6150 ( 525 PWs) bands (ev): -9.0310 -9.0310 -3.5857 -3.5857 0.5194 0.5194 2.9208 2.9208 11.0826 11.0826 15.5787 15.5787 18.7963 18.7963 21.7918 21.7918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.4531-1.4519 ( 524 PWs) bands (ev): -10.2660 -10.2660 -1.4498 -1.4498 1.1625 1.1625 1.3136 1.3136 13.3365 13.3365 15.8533 15.8533 18.3426 18.3426 20.6797 20.6797 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.4531-1.2889 ( 527 PWs) bands (ev): -11.2072 -11.2072 0.0240 0.0240 0.6479 0.6479 2.0543 2.0543 15.4254 15.4254 16.0758 16.0758 18.0883 18.0883 18.6312 18.6312 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.4531-1.1258 ( 523 PWs) bands (ev): -11.8406 -11.8406 -0.8542 -0.8542 2.3915 2.3915 3.0474 3.0474 15.8964 15.8964 17.0943 17.0943 17.1254 17.1254 17.9680 17.9680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.4531-0.9628 ( 528 PWs) bands (ev): -12.1611 -12.1611 -1.2858 -1.2858 3.4427 3.4427 3.7206 3.7206 15.6090 15.6090 16.2065 16.2065 17.8275 17.8275 18.1636 18.1636 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.3012-0.7406 ( 522 PWs) bands (ev): -11.6727 -11.6727 -0.6800 -0.6800 1.7512 1.7512 2.9375 2.9375 15.5508 15.5508 16.7969 16.7969 18.1189 18.1189 18.2978 18.2978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.3012-0.5775 ( 523 PWs) bands (ev): -11.1923 -11.1923 -0.0532 -0.0532 0.6314 0.6314 2.0276 2.0276 15.6529 15.6529 16.0107 16.0107 18.5391 18.5391 18.7332 18.7332 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.3012-0.4145 ( 527 PWs) bands (ev): -10.4043 -10.4043 -0.7065 -0.7065 0.6381 0.6381 1.0046 1.0046 13.9760 13.9760 17.1139 17.1139 18.7253 18.7253 18.8212 18.8212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.3012-0.2514 ( 522 PWs) bands (ev): -9.3185 -9.3185 -2.4457 -2.4457 -0.4274 -0.4274 2.4415 2.4415 11.9876 11.9876 17.3360 17.3360 18.8818 18.8818 20.1159 20.1159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.3012-0.0884 ( 521 PWs) bands (ev): -7.9655 -7.9655 -4.3655 -4.3655 -0.9989 -0.9989 4.1134 4.1134 9.9410 9.9410 17.1599 17.1599 18.9811 18.9811 21.1809 21.1809 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.3012 0.0747 ( 520 PWs) bands (ev): -6.7640 -6.7640 -5.7846 -5.7846 -1.1738 -1.1738 5.3254 5.3254 8.6051 8.6051 17.1173 17.1173 18.7606 18.7606 21.1188 21.1188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.3012-1.7189 ( 523 PWs) bands (ev): -8.0201 -8.0201 -4.3254 -4.3254 -0.9764 -0.9764 4.4252 4.4252 9.6465 9.6465 17.2734 17.2734 18.2042 18.2042 21.2500 21.2500 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.3012-1.5559 ( 531 PWs) bands (ev): -9.3750 -9.3750 -2.4104 -2.4104 -0.3899 -0.3899 2.7736 2.7736 11.6366 11.6366 17.4707 17.4707 17.7730 17.7730 20.2164 20.2164 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.3012-1.3928 ( 523 PWs) bands (ev): -10.4549 -10.4549 -0.6601 -0.6601 0.6663 0.6663 1.2895 1.2895 13.5629 13.5629 17.0986 17.0986 17.6633 17.6633 18.8109 18.8109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.3012-1.2298 ( 527 PWs) bands (ev): -11.2307 -11.2307 0.1514 0.1514 0.6949 0.6949 2.0295 2.0295 15.1960 15.1960 15.9986 15.9986 17.5428 17.5428 18.6972 18.6972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.3012-1.0667 ( 528 PWs) bands (ev): -11.6935 -11.6935 -0.5730 -0.5730 1.8099 1.8099 2.9181 2.9181 15.5003 15.5003 16.4695 16.4695 17.7204 17.7204 18.0776 18.0776 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.3012-0.9036 ( 523 PWs) bands (ev): -11.8406 -11.8406 -0.8542 -0.8542 2.3915 2.3915 3.0474 3.0474 15.8964 15.8964 17.0943 17.0943 17.1254 17.1254 17.9680 17.9680 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1492-0.6815 ( 522 PWs) bands (ev): -10.8699 -10.8699 -0.3746 -0.3746 0.3393 0.3393 2.0467 2.0467 14.7922 14.7922 15.2871 15.2871 18.8564 18.8564 20.6905 20.6905 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1492-0.5184 ( 522 PWs) bands (ev): -10.2256 -10.2256 -1.4717 -1.4717 1.0920 1.0920 1.1270 1.1270 13.6142 13.6142 15.7850 15.7850 19.4346 19.4346 20.6606 20.6606 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1492-0.3554 ( 526 PWs) bands (ev): -9.2853 -9.2853 -2.4628 -2.4628 -0.4382 -0.4382 2.2555 2.2555 12.1452 12.1452 17.3451 17.3451 19.5440 19.5440 19.9904 19.9904 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1492-0.1923 ( 515 PWs) bands (ev): -8.0722 -8.0722 -3.4973 -3.4973 -1.9463 -1.9463 3.7641 3.7641 10.5043 10.5043 18.7578 18.7578 19.5976 19.5976 19.6370 19.6370 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1492-0.0292 ( 519 PWs) bands (ev): -6.6712 -6.6712 -4.9257 -4.9257 -2.6506 -2.6506 5.4230 5.4230 8.8571 8.8571 18.3652 18.3652 19.3667 19.3667 20.6978 20.6978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1492 0.1338 ( 517 PWs) bands (ev): -6.7779 -6.7779 -4.8417 -4.8417 -2.6330 -2.6330 5.9656 5.9656 8.4142 8.4142 17.9708 17.9708 19.2005 19.2005 20.8741 20.8741 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1492-1.6598 ( 523 PWs) bands (ev): -8.1987 -8.1987 -3.4323 -3.4323 -1.8987 -1.8987 4.5343 4.5343 9.9569 9.9569 17.5598 17.5598 19.3997 19.3997 19.9221 19.9221 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1492-1.4968 ( 525 PWs) bands (ev): -9.4072 -9.4072 -2.3986 -2.3986 -0.3970 -0.3970 2.9810 2.9810 11.5891 11.5891 17.0418 17.0418 17.7316 17.7316 20.1805 20.1805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1492-1.3337 ( 524 PWs) bands (ev): -10.3269 -10.3269 -1.3988 -1.3988 1.1418 1.1418 1.6720 1.6720 13.0221 13.0221 15.7564 15.7564 17.1617 17.1617 20.8746 20.8746 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1492-1.1706 ( 526 PWs) bands (ev): -10.9371 -10.9371 -0.3025 -0.3025 0.7114 0.7114 2.0346 2.0346 14.2618 14.2618 15.2249 15.2249 17.2398 17.2398 20.6688 20.6688 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1492-1.0076 ( 527 PWs) bands (ev): -11.2307 -11.2307 0.1514 0.1514 0.6949 0.6949 2.0295 2.0295 15.1960 15.1960 15.9986 15.9986 17.5428 17.5428 18.6972 18.6972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-1.1492-0.8445 ( 527 PWs) bands (ev): -11.2072 -11.2072 0.0240 0.0240 0.6480 0.6480 2.0543 2.0543 15.4254 15.4254 16.0758 16.0758 18.0883 18.0883 18.6311 18.6311 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.9972-0.6224 ( 519 PWs) bands (ev): -9.7676 -9.7676 -2.6014 -2.6014 1.3044 1.3044 1.7535 1.7535 12.5150 12.5150 14.9679 14.9679 19.4147 19.4147 22.3536 22.3536 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.9972-0.4593 ( 522 PWs) bands (ev): -8.9732 -8.9732 -3.6220 -3.6220 0.4839 0.4839 2.5998 2.5998 11.4418 11.4418 15.5084 15.5084 20.1441 20.1441 21.3310 21.3310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.9972-0.2962 ( 519 PWs) bands (ev): -7.9098 -7.9098 -4.4049 -4.4049 -1.0213 -1.0213 3.8116 3.8116 10.2754 10.2754 17.1409 17.1409 20.0268 20.0268 20.3735 20.3735 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.9972-0.1332 ( 517 PWs) bands (ev): -6.6483 -6.6483 -4.9462 -4.9462 -2.6648 -2.6648 5.3039 5.3039 9.0378 9.0378 18.9404 18.9404 19.2920 19.2920 20.0218 20.0218 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.9972 0.0299 ( 517 PWs) bands (ev): -5.5840 -5.5840 -5.4765 -5.4765 -3.5447 -3.5447 6.9024 6.9024 7.7294 7.7294 18.4626 18.4626 19.6216 19.6216 20.6115 20.6115 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.9972 0.1929 ( 516 PWs) bands (ev): -6.8039 -6.8039 -4.9092 -4.9092 -2.5774 -2.5774 6.2467 6.2467 8.5152 8.5152 18.1085 18.1085 19.5497 19.5497 20.0189 20.0189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.9972-1.6007 ( 523 PWs) bands (ev): -8.0762 -8.0762 -4.3616 -4.3616 -0.9530 -0.9530 4.8200 4.8200 9.8466 9.8466 17.2591 17.2591 17.8552 17.8552 20.3231 20.3231 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.9972-1.4376 ( 525 PWs) bands (ev): -9.1234 -9.1234 -3.5685 -3.5685 0.5168 0.5168 3.5076 3.5076 10.9959 10.9959 15.5809 15.5809 17.2422 17.2422 21.7211 21.7211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.9972-1.2746 ( 522 PWs) bands (ev): -9.8809 -9.8809 -2.5438 -2.5438 1.3052 1.3052 2.4297 2.4297 12.0652 12.0652 14.9534 14.9534 17.0481 17.0481 23.5465 23.5467 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.9972-1.1115 ( 524 PWs) bands (ev): -10.3269 -10.3269 -1.3988 -1.3988 1.1418 1.1418 1.6720 1.6720 13.0221 13.0221 15.7564 15.7564 17.1617 17.1617 20.8746 20.8746 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.9972-0.9485 ( 523 PWs) bands (ev): -10.4549 -10.4549 -0.6601 -0.6601 0.6663 0.6663 1.2895 1.2895 13.5629 13.5629 17.0986 17.0986 17.6633 17.6633 18.8109 18.8109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.9972-0.7854 ( 524 PWs) bands (ev): -10.2660 -10.2660 -1.4498 -1.4498 1.1625 1.1625 1.3136 1.3136 13.3365 13.3365 15.8533 15.8533 18.3426 18.3426 20.6796 20.6796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8453-0.5632 ( 525 PWs) bands (ev): -8.3926 -8.3926 -4.7167 -4.7167 0.8258 0.8258 3.4222 3.4222 10.2780 10.2780 14.7349 14.7349 19.9931 19.9931 21.2428 21.2428 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8453-0.4002 ( 520 PWs) bands (ev): -7.5128 -7.5128 -5.5783 -5.5783 0.1539 0.1539 4.2341 4.2341 9.5003 9.5003 15.3469 15.3469 19.7425 19.7425 20.9796 20.9796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8453-0.2371 ( 517 PWs) bands (ev): -6.7708 -6.7708 -5.7772 -5.7772 -1.2053 -1.2053 5.2368 5.2368 8.8693 8.8693 17.0495 17.0495 18.8895 18.8895 20.4747 20.4747 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8453-0.0741 ( 515 PWs) bands (ev): -6.8222 -6.8222 -4.8144 -4.8144 -2.6545 -2.6545 6.1507 6.1507 8.4772 8.4772 18.4202 18.4202 19.0912 19.0912 19.7044 19.7044 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8453 0.0890 ( 513 PWs) bands (ev): -6.8292 -6.8292 -4.9240 -4.9240 -2.5648 -2.5648 6.4443 6.4443 8.5446 8.5446 18.4186 18.4186 19.4669 19.4669 20.0805 20.0805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8453 0.2520 ( 524 PWs) bands (ev): -6.8562 -6.8562 -5.8534 -5.8534 -1.1197 -1.1197 5.9834 5.9834 8.9991 8.9991 17.4404 17.4404 18.8793 18.8793 18.9822 18.9822 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8453-1.5416 ( 529 PWs) bands (ev): -7.6749 -7.6749 -5.5702 -5.5702 0.2008 0.2008 5.1679 5.1679 9.5644 9.5644 15.5428 15.5428 18.0595 18.0595 19.9615 19.9615 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8453-1.3785 ( 528 PWs) bands (ev): -8.5320 -8.5320 -4.7001 -4.7001 0.8400 0.8400 4.2788 4.2788 10.2429 10.2429 14.8288 14.8288 17.4733 17.4733 21.2452 21.2452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8453-1.2155 ( 525 PWs) bands (ev): -9.1234 -9.1234 -3.5685 -3.5685 0.5168 0.5168 3.5076 3.5076 10.9959 10.9959 15.5809 15.5809 17.2422 17.2422 21.7211 21.7211 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8453-1.0524 ( 525 PWs) bands (ev): -9.4072 -9.4072 -2.3986 -2.3986 -0.3970 -0.3970 2.9810 2.9810 11.5892 11.5892 17.0418 17.0418 17.7316 17.7316 20.1804 20.1804 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8453-0.8894 ( 531 PWs) bands (ev): -9.3750 -9.3750 -2.4104 -2.4104 -0.3900 -0.3900 2.7736 2.7736 11.6366 11.6366 17.4707 17.4707 17.7730 17.7730 20.2164 20.2164 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.8453-0.7263 ( 525 PWs) bands (ev): -9.0310 -9.0310 -3.5857 -3.5857 0.5194 0.5194 2.9208 2.9208 11.0826 11.0826 15.5787 15.5787 18.7963 18.7963 21.7918 21.7918 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6933-0.5041 ( 527 PWs) bands (ev): -7.1879 -7.1879 -6.1880 -6.1880 0.6614 0.6614 4.7042 4.7042 8.8318 8.8318 14.6505 14.6505 19.2773 19.2773 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 = 0.4167-0.6933-0.3411 ( 524 PWs) bands (ev): -7.6641 -7.6641 -5.4519 -5.4519 0.1581 0.1581 4.8847 4.8847 8.9575 8.9575 15.3531 15.3531 18.0669 18.0669 21.7331 21.7331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6933-0.1780 ( 516 PWs) bands (ev): -8.1127 -8.1127 -4.2620 -4.2620 -1.0118 -1.0118 5.0010 5.0010 9.4550 9.4550 17.0069 17.0069 17.3260 17.3260 21.1632 21.1632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6933-0.0150 ( 517 PWs) bands (ev): -8.2762 -8.2762 -3.4338 -3.4338 -1.8945 -1.8945 5.1103 5.1103 9.9457 9.9457 16.7786 16.7786 19.2663 19.2663 20.2337 20.2337 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6933 0.1481 ( 516 PWs) bands (ev): -8.1307 -8.1307 -4.3971 -4.3971 -0.9297 -0.9297 5.2530 5.2530 10.0386 10.0386 16.9006 16.9006 17.6227 17.6227 20.3996 20.3997 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6933 0.3112 ( 528 PWs) bands (ev): -7.7028 -7.7028 -5.5917 -5.5917 0.2098 0.2098 5.3873 5.3873 9.7616 9.7616 15.6001 15.6001 17.6070 17.6070 19.6847 19.6847 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6933-1.4825 ( 530 PWs) bands (ev): -7.2825 -7.2825 -6.2663 -6.2663 0.6859 0.6859 5.3903 5.3903 9.5031 9.5031 14.8332 14.8332 18.6502 18.6502 18.7838 18.7838 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6933-1.3194 ( 529 PWs) bands (ev): -7.6749 -7.6749 -5.5702 -5.5702 0.2008 0.2008 5.1679 5.1679 9.5644 9.5644 15.5428 15.5428 18.0596 18.0596 19.9615 19.9615 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6933-1.1564 ( 523 PWs) bands (ev): -8.0762 -8.0762 -4.3616 -4.3616 -0.9530 -0.9530 4.8200 4.8200 9.8466 9.8466 17.2591 17.2591 17.8552 17.8552 20.3231 20.3231 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6933-0.9933 ( 523 PWs) bands (ev): -8.1987 -8.1987 -3.4323 -3.4323 -1.8987 -1.8987 4.5343 4.5343 9.9569 9.9569 17.5598 17.5598 19.3997 19.3997 19.9221 19.9221 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6933-0.8302 ( 523 PWs) bands (ev): -8.0201 -8.0201 -4.3254 -4.3254 -0.9764 -0.9764 4.4252 4.4252 9.6465 9.6465 17.2734 17.2734 18.2042 18.2042 21.2500 21.2500 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4167-0.6933-0.6672 ( 525 PWs) bands (ev): -7.5717 -7.5717 -5.5301 -5.5301 0.1822 0.1822 4.5080 4.5080 9.1411 9.1411 15.4033 15.4033 19.3413 19.3413 21.1008 21.1008 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6496 0.5340 ( 530 PWs) bands (ev): -7.1858 -7.1858 -6.1913 -6.1913 0.6613 0.6613 4.7291 4.7291 8.7725 8.7725 14.6494 14.6494 19.7166 19.7166 20.8654 20.8654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6496 0.6971 ( 525 PWs) bands (ev): -7.6216 -7.6216 -5.4889 -5.4889 0.1692 0.1692 4.7233 4.7233 8.9991 8.9991 15.3757 15.3757 18.7648 18.7648 21.3985 21.3985 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6496 0.8601 ( 521 PWs) bands (ev): -8.0740 -8.0740 -4.2890 -4.2890 -0.9970 -0.9970 4.7548 4.7548 9.5196 9.5196 17.1957 17.1957 17.6921 17.6921 21.1123 21.1123 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6496 1.0232 ( 521 PWs) bands (ev): -8.2482 -8.2482 -3.4331 -3.4331 -1.8965 -1.8965 4.8917 4.8917 9.9498 9.9498 17.1212 17.1212 19.2521 19.2521 20.0424 20.0424 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6496 1.1862 ( 517 PWs) bands (ev): -8.1163 -8.1163 -4.3877 -4.3877 -0.9359 -0.9359 5.1326 5.1326 9.9876 9.9876 17.0652 17.0652 17.6301 17.6301 20.2535 20.2535 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6496 1.3493 ( 528 PWs) bands (ev): -7.7028 -7.7028 -5.5917 -5.5917 0.2098 0.2098 5.3873 5.3873 9.7616 9.7616 15.6001 15.6001 17.6070 17.6070 19.6847 19.6847 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6496-0.4443 ( 520 PWs) bands (ev): -7.2968 -7.2968 -6.2775 -6.2775 0.6897 0.6897 5.5025 5.5025 9.6282 9.6282 14.8613 14.8613 18.3631 18.3631 18.6171 18.6171 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.8016 0.5931 ( 529 PWs) bands (ev): -8.4443 -8.4443 -4.6804 -4.6804 0.8256 0.8256 3.7041 3.7041 10.0193 10.0193 14.7323 14.7323 19.0449 19.0449 21.7729 21.7729 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.8016 0.7562 ( 528 PWs) bands (ev): -9.0919 -9.0919 -3.5495 -3.5495 0.5074 0.5074 3.2908 3.2908 10.8560 10.8560 15.5510 15.5510 17.7574 17.7574 22.1244 22.1244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.8016 0.9192 ( 524 PWs) bands (ev): -9.4390 -9.4390 -2.3862 -2.3862 -0.4050 -0.4050 3.1974 3.1974 11.5360 11.5360 16.6820 16.6820 17.5076 17.5076 20.3763 20.3763 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.8016 1.0823 ( 526 PWs) bands (ev): -9.4686 -9.4686 -2.4217 -2.4217 -0.3800 -0.3800 3.4171 3.4171 11.6816 11.6816 16.1789 16.1789 17.6868 17.6868 20.0390 20.0390 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 =-0.5000 0.8016 1.2454 ( 523 PWs) bands (ev): -9.1769 -9.1769 -3.6002 -3.6002 0.5317 0.5317 3.9100 3.9100 11.2375 11.2375 15.6145 15.6145 16.3414 16.3414 21.4157 21.4157 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.8016 1.4084 ( 527 PWs) bands (ev): -8.5737 -8.5737 -4.7294 -4.7294 0.8500 0.8500 4.6036 4.6036 10.5179 10.5179 14.8965 14.8965 16.7126 16.7126 20.8126 20.8126 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.8016-0.3852 ( 528 PWs) bands (ev): -7.7028 -7.7028 -5.5917 -5.5917 0.2098 0.2098 5.3873 5.3873 9.7616 9.7616 15.6001 15.6001 17.6070 17.6070 19.6847 19.6847 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.8016-0.2222 ( 520 PWs) bands (ev): -6.8702 -6.8702 -5.8639 -5.8639 -1.1128 -1.1128 6.0932 6.0932 9.0666 9.0666 17.4916 17.4916 18.7092 18.7092 19.0581 19.0581 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.8016-0.0591 ( 513 PWs) bands (ev): -6.8292 -6.8292 -4.9240 -4.9240 -2.5648 -2.5648 6.4443 6.4443 8.5446 8.5446 18.4187 18.4187 19.4669 19.4669 20.0805 20.0805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.8016 0.1040 ( 518 PWs) bands (ev): -6.8104 -6.8104 -4.8218 -4.8218 -2.6489 -2.6489 6.1059 6.1059 8.4516 8.4516 18.3535 18.3535 18.9303 18.9303 20.1484 20.1484 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.8016 0.2670 ( 520 PWs) bands (ev): -6.7675 -6.7675 -5.7813 -5.7813 -1.1940 -1.1940 5.2799 5.2799 8.7487 8.7487 17.0746 17.0746 18.9021 18.9021 20.6654 20.6654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.8016 0.4301 ( 521 PWs) bands (ev): -7.5484 -7.5484 -5.5499 -5.5499 0.1631 0.1631 4.4019 4.4019 9.2848 9.2848 15.3611 15.3611 19.6890 19.6890 20.9601 20.9601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9535 0.6522 ( 520 PWs) bands (ev): -9.8161 -9.8161 -2.5771 -2.5771 1.3044 1.3044 2.0302 2.0302 12.3123 12.3123 14.9643 14.9643 18.3215 18.3215 22.6959 22.6959 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9535 0.8153 ( 524 PWs) bands (ev): -10.3270 -10.3270 -1.4259 -1.4259 1.1537 1.1537 1.6759 1.6759 13.1808 13.1808 15.8225 15.8225 17.1171 17.1171 20.8032 20.8032 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9535 0.9784 ( 527 PWs) bands (ev): -10.5228 -10.5228 -0.6599 -0.6599 0.6672 0.6672 1.7158 1.7158 13.5564 13.5564 16.1127 16.1127 17.3688 17.3688 18.8389 18.8389 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9535 1.1414 ( 522 PWs) bands (ev): -10.3956 -10.3956 -1.4260 -1.4260 1.1572 1.1572 2.1309 2.1309 13.1828 13.1828 15.5283 15.5283 16.1594 16.1594 20.7890 20.7890 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9535 1.3045 ( 520 PWs) bands (ev): -9.9444 -9.9444 -2.5764 -2.5764 1.3182 1.3182 2.8822 2.8822 12.3183 12.3183 14.9776 14.9776 15.9039 15.9039 22.5586 23.5666 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9535 1.4675 ( 523 PWs) bands (ev): -9.1769 -9.1769 -3.6002 -3.6002 0.5317 0.5317 3.9100 3.9100 11.2375 11.2375 15.6145 15.6145 16.3414 16.3414 21.4157 21.4157 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9535-0.3261 ( 517 PWs) bands (ev): -8.1163 -8.1163 -4.3877 -4.3877 -0.9359 -0.9359 5.1326 5.1326 9.9876 9.9876 17.0652 17.0652 17.6301 17.6301 20.2535 20.2535 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9535-0.1630 ( 513 PWs) bands (ev): -6.8292 -6.8292 -4.9241 -4.9241 -2.5648 -2.5648 6.4443 6.4443 8.5446 8.5446 18.4186 18.4186 19.4669 19.4669 20.0805 20.0805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9535 0.0000 ( 516 PWs) bands (ev): -5.5965 -5.5965 -5.4727 -5.4727 -3.5465 -3.5465 6.8670 6.8670 7.8335 7.8335 19.1319 19.1319 19.4200 19.4200 19.8376 19.8376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9535 0.1631 ( 517 PWs) bands (ev): -6.6483 -6.6483 -4.9462 -4.9462 -2.6648 -2.6648 5.3039 5.3039 9.0378 9.0378 18.9404 18.9404 19.2920 19.2920 20.0217 20.0217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9535 0.3261 ( 515 PWs) bands (ev): -7.9248 -7.9248 -4.3943 -4.3943 -1.0153 -1.0153 3.8915 3.8915 10.1818 10.1818 17.1468 17.1468 19.6109 19.6109 20.7342 20.7342 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9535 0.4892 ( 523 PWs) bands (ev): -9.0056 -9.0056 -3.6029 -3.6029 0.4902 0.4902 2.7778 2.7778 11.2713 11.2713 15.5147 15.5147 19.4110 19.4110 21.6489 21.6489 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.1055 0.7114 ( 524 PWs) bands (ev): -10.9076 -10.9076 -0.3615 -0.3615 0.5452 0.5452 2.0467 2.0467 14.6779 14.6779 15.2873 15.2873 17.8848 17.8848 20.6912 20.6912 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.1055 0.8744 ( 521 PWs) bands (ev): -11.2611 -11.2611 0.3269 0.3269 0.6595 0.6595 2.0503 2.0503 15.3430 15.3430 16.0486 16.0486 16.8616 16.8616 18.6709 18.6709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.1055 1.0375 ( 523 PWs) bands (ev): -11.2959 -11.2959 0.5319 0.5319 0.6849 0.6849 2.0393 2.0393 15.2313 15.2313 15.7917 15.7917 16.3836 16.3836 18.7063 18.7063 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.1055 1.2005 ( 518 PWs) bands (ev): -11.0073 -11.0073 -0.3264 -0.3264 1.1497 1.1497 2.0472 2.0472 14.3885 14.3885 15.1628 15.1628 15.9426 15.9426 20.6908 20.6908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.1055 1.3636 ( 522 PWs) bands (ev): -10.3956 -10.3956 -1.4260 -1.4260 1.1572 1.1572 2.1309 2.1309 13.1828 13.1828 15.5283 15.5283 16.1594 16.1594 20.7891 20.7891 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.1055 1.5266 ( 526 PWs) bands (ev): -9.4686 -9.4686 -2.4217 -2.4217 -0.3799 -0.3799 3.4171 3.4171 11.6816 11.6816 16.1789 16.1789 17.6868 17.6868 20.0390 20.0390 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 =-0.5000 1.1055-0.2670 ( 521 PWs) bands (ev): -8.2482 -8.2482 -3.4331 -3.4331 -1.8965 -1.8965 4.8917 4.8917 9.9498 9.9498 17.1212 17.1212 19.2521 19.2521 20.0424 20.0424 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.1055-0.1039 ( 518 PWs) bands (ev): -6.8104 -6.8104 -4.8218 -4.8218 -2.6489 -2.6489 6.1060 6.1060 8.4516 8.4516 18.3534 18.3534 18.9303 18.9303 20.1484 20.1484 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.1055 0.0591 ( 517 PWs) bands (ev): -6.6483 -6.6483 -4.9462 -4.9462 -2.6648 -2.6648 5.3039 5.3039 9.0378 9.0378 18.9404 18.9404 19.2920 19.2920 20.0217 20.0217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.1055 0.2222 ( 512 PWs) bands (ev): -8.0567 -8.0567 -3.5072 -3.5072 -1.9534 -1.9534 3.6797 3.6797 10.5956 10.5956 19.0516 19.0516 19.5224 19.5224 19.5376 19.5376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.1055 0.3852 ( 526 PWs) bands (ev): -9.2853 -9.2853 -2.4628 -2.4628 -0.4382 -0.4382 2.2555 2.2555 12.1452 12.1452 17.3451 17.3451 19.5440 19.5440 19.9904 19.9904 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.1055 0.5483 ( 523 PWs) bands (ev): -10.2443 -10.2443 -1.4638 -1.4638 1.1293 1.1293 1.1940 1.1940 13.5407 13.5407 15.7859 15.7859 18.9401 18.9401 20.7018 20.7018 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.2575 0.7705 ( 525 PWs) bands (ev): -11.6936 -11.6936 -0.5707 -0.5707 1.7556 1.7556 2.9374 2.9374 15.5460 15.5460 16.7594 16.7594 17.7018 17.7018 18.1195 18.1195 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 1.2575 0.9335 ( 521 PWs) bands (ev): -11.8809 -11.8809 -0.6387 -0.6387 2.3920 2.3920 3.0491 3.0491 15.8712 15.8712 16.8888 16.8888 17.0876 17.0876 17.1597 17.1597 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.2575 1.0966 ( 527 PWs) bands (ev): -11.7492 -11.7492 -0.2632 -0.2632 1.7993 1.7993 2.9263 2.9263 15.4778 15.4778 16.2394 16.2394 16.6787 16.6787 18.0946 18.0946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.2575 1.2596 ( 523 PWs) bands (ev): -11.2959 -11.2959 0.5319 0.5319 0.6849 0.6849 2.0393 2.0393 15.2313 15.2313 15.7917 15.7917 16.3836 16.3836 18.7063 18.7063 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.2575 1.4227 ( 527 PWs) bands (ev): -10.5228 -10.5228 -0.6600 -0.6600 0.6673 0.6673 1.7158 1.7158 13.5564 13.5564 16.1127 16.1127 17.3687 17.3687 18.8390 18.8390 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.2575 1.5858 ( 524 PWs) bands (ev): -9.4390 -9.4390 -2.3862 -2.3862 -0.4049 -0.4049 3.1974 3.1974 11.5360 11.5360 16.6820 16.6820 17.5076 17.5076 20.3763 20.3763 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.2575-0.2079 ( 521 PWs) bands (ev): -8.0740 -8.0740 -4.2890 -4.2890 -0.9970 -0.9970 4.7548 4.7548 9.5196 9.5196 17.1957 17.1957 17.6921 17.6921 21.1123 21.1123 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.2575-0.0448 ( 520 PWs) bands (ev): -6.7674 -6.7674 -5.7813 -5.7813 -1.1940 -1.1940 5.2799 5.2799 8.7487 8.7487 17.0746 17.0746 18.9021 18.9021 20.6654 20.6654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.2575 0.1182 ( 515 PWs) bands (ev): -7.9248 -7.9248 -4.3944 -4.3944 -1.0152 -1.0152 3.8915 3.8915 10.1817 10.1817 17.1468 17.1468 19.6109 19.6109 20.7342 20.7342 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.2575 0.2813 ( 526 PWs) bands (ev): -9.2853 -9.2853 -2.4629 -2.4629 -0.4382 -0.4382 2.2555 2.2555 12.1452 12.1452 17.3452 17.3452 19.5440 19.5440 19.9904 19.9904 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.2575 0.4444 ( 524 PWs) bands (ev): -10.3853 -10.3853 -0.7137 -0.7137 0.6337 0.6337 0.9021 0.9021 14.0440 14.0440 17.1209 17.1209 18.8130 18.8130 19.1910 19.1910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.2575 0.6074 ( 523 PWs) bands (ev): -11.1923 -11.1923 -0.0532 -0.0532 0.6314 0.6314 2.0276 2.0276 15.6529 15.6529 16.0107 16.0107 18.5391 18.5391 18.7331 18.7331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.4094 0.8296 ( 526 PWs) bands (ev): -12.1666 -12.1666 -1.2571 -1.2571 3.4117 3.4117 3.7402 3.7402 15.5881 15.5881 16.2572 16.2572 17.6698 17.6698 18.2300 18.2300 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.4094 0.9926 ( 528 PWs) bands (ev): -12.1826 -12.1826 -1.1744 -1.1744 3.4411 3.4411 3.7231 3.7231 15.6063 15.6063 16.2129 16.2129 17.1986 17.1986 18.1529 18.1529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.4094 1.1557 ( 521 PWs) bands (ev): -11.8809 -11.8809 -0.6387 -0.6387 2.3919 2.3919 3.0492 3.0492 15.8712 15.8712 16.8888 16.8888 17.0876 17.0876 17.1598 17.1598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.4094 1.3188 ( 521 PWs) bands (ev): -11.2611 -11.2611 0.3269 0.3269 0.6594 0.6594 2.0503 2.0503 15.3430 15.3430 16.0486 16.0486 16.8616 16.8616 18.6709 18.6709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.4094 1.4818 ( 524 PWs) bands (ev): -10.3270 -10.3270 -1.4259 -1.4259 1.1538 1.1538 1.6759 1.6759 13.1808 13.1808 15.8225 15.8225 17.1171 17.1171 20.8032 20.8032 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.4094 1.6449 ( 528 PWs) bands (ev): -9.0919 -9.0919 -3.5496 -3.5496 0.5075 0.5075 3.2908 3.2908 10.8559 10.8559 15.5510 15.5510 17.7574 17.7574 22.1244 22.1244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.4094-0.1488 ( 525 PWs) bands (ev): -7.6216 -7.6216 -5.4889 -5.4889 0.1693 0.1693 4.7233 4.7233 8.9991 8.9991 15.3757 15.3757 18.7648 18.7648 21.3985 21.3985 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.4094 0.0143 ( 521 PWs) bands (ev): -7.5484 -7.5484 -5.5500 -5.5500 0.1631 0.1631 4.4019 4.4019 9.2848 9.2848 15.3611 15.3611 19.6890 19.6890 20.9601 20.9601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.4094 0.1774 ( 523 PWs) bands (ev): -9.0056 -9.0056 -3.6029 -3.6029 0.4902 0.4902 2.7778 2.7778 11.2713 11.2713 15.5147 15.5147 19.4110 19.4110 21.6489 21.6489 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.4094 0.3404 ( 523 PWs) bands (ev): -10.2443 -10.2443 -1.4638 -1.4638 1.1293 1.1293 1.1940 1.1940 13.5407 13.5407 15.7859 15.7859 18.9401 18.9401 20.7018 20.7018 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.4094 0.5035 ( 523 PWs) bands (ev): -11.1923 -11.1923 -0.0532 -0.0532 0.6313 0.6313 2.0277 2.0277 15.6529 15.6529 16.0107 16.0107 18.5391 18.5391 18.7332 18.7332 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 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 1.4094 0.6665 ( 522 PWs) bands (ev): -11.8353 -11.8353 -0.8805 -0.8805 2.3605 2.3605 3.0466 3.0466 15.8512 15.8512 17.2169 17.2169 17.3170 17.3170 18.1407 18.1407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2622 0.1793 ( 520 PWs) bands (ev): -12.3245 -12.3245 -1.4884 -1.4884 4.0646 4.0646 4.0901 4.0901 15.5022 15.5022 15.5704 15.5704 17.6886 17.6886 18.7660 18.7660 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2622 0.3424 ( 526 PWs) bands (ev): -12.1666 -12.1666 -1.2571 -1.2571 3.4116 3.4116 3.7402 3.7402 15.5881 15.5881 16.2573 16.2573 17.6698 17.6698 18.2300 18.2300 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2622 0.5054 ( 525 PWs) bands (ev): -11.6936 -11.6936 -0.5707 -0.5707 1.7556 1.7556 2.9374 2.9374 15.5460 15.5460 16.7594 16.7594 17.7018 17.7018 18.1195 18.1195 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2622 0.6685 ( 524 PWs) bands (ev): -10.9076 -10.9076 -0.3616 -0.3616 0.5452 0.5452 2.0467 2.0467 14.6779 14.6779 15.2873 15.2873 17.8848 17.8848 20.6912 20.6912 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2622 0.8316 ( 520 PWs) bands (ev): -9.8161 -9.8161 -2.5771 -2.5771 1.3044 1.3044 2.0302 2.0302 12.3123 12.3123 14.9643 14.9643 18.3215 18.3215 22.6959 23.5478 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2622 0.9946 ( 529 PWs) bands (ev): -8.4443 -8.4443 -4.6804 -4.6804 0.8256 0.8256 3.7041 3.7041 10.0193 10.0193 14.7323 14.7323 19.0449 19.0449 21.7729 21.7729 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.2622-0.7990 ( 530 PWs) bands (ev): -7.1858 -7.1858 -6.1913 -6.1913 0.6614 0.6614 4.7291 4.7291 8.7725 8.7725 14.6494 14.6494 19.7166 19.7166 20.8654 20.8654 occupation numbers 1.0000 1.0000 1.0000 1.0000 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 7.1125 ev ! total energy = -24.85354538 Ry Harris-Foulkes estimate = -24.85354538 Ry estimated scf accuracy < 4.4E-10 Ry The total energy is the sum of the following terms: one-electron contribution = -5.35918562 Ry hartree contribution = 6.76143176 Ry xc contribution = -9.30136548 Ry ewald contribution = -16.95441965 Ry smearing contrib. (-TS) = -0.00000640 Ry convergence has been achieved in 6 iterations Writing output data file C.save init_run : 2.94s CPU 3.28s WALL ( 1 calls) electrons : 65.56s CPU 82.69s WALL ( 1 calls) Called by init_run: wfcinit : 2.83s CPU 2.98s WALL ( 1 calls) potinit : 0.01s CPU 0.01s WALL ( 1 calls) Called by electrons: c_bands : 58.91s CPU 75.63s WALL ( 6 calls) sum_band : 6.60s CPU 6.89s WALL ( 6 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 7 calls) v_h : 0.00s CPU 0.00s WALL ( 7 calls) v_xc : 0.01s CPU 0.01s WALL ( 7 calls) newd : 0.00s CPU 0.01s WALL ( 7 calls) mix_rho : 0.01s CPU 0.00s WALL ( 6 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.12s WALL ( 11284 calls) cegterg : 57.84s CPU 60.04s WALL ( 5208 calls) Called by sum_band: sum_band:bec : 0.58s CPU 0.66s WALL ( 5208 calls) addusdens : 0.00s CPU 0.01s WALL ( 6 calls) Called by *egterg: h_psi : 31.00s CPU 32.29s WALL ( 19146 calls) s_psi : 0.32s CPU 0.37s WALL ( 19146 calls) g_psi : 0.03s CPU 0.03s WALL ( 13070 calls) cdiaghg : 24.67s CPU 25.39s WALL ( 18278 calls) cegterg:over : 1.32s CPU 1.35s WALL ( 13070 calls) cegterg:upda : 0.85s CPU 0.93s WALL ( 13070 calls) cegterg:last : 0.52s CPU 0.50s WALL ( 5212 calls) cdiaghg:chol : 1.47s CPU 1.58s WALL ( 18278 calls) cdiaghg:inve : 0.38s CPU 0.39s WALL ( 18278 calls) cdiaghg:para : 1.94s CPU 1.93s WALL ( 36556 calls) Called by h_psi: h_psi:vloc : 29.41s CPU 30.75s WALL ( 19146 calls) h_psi:vnl : 1.54s CPU 1.49s WALL ( 19146 calls) add_vuspsi : 0.52s CPU 0.49s WALL ( 19146 calls) General routines calbec : 1.22s CPU 1.24s WALL ( 24354 calls) fft : 0.02s CPU 0.02s WALL ( 201 calls) ffts : 0.00s CPU 0.00s WALL ( 52 calls) fftw : 32.84s CPU 34.23s WALL ( 1067756 calls) interpolate : 0.00s CPU 0.01s WALL ( 52 calls) Parallel routines fft_scatter : 19.19s CPU 19.51s WALL ( 1068009 calls) PWSCF : 1m16.29s CPU 2m 8.00s WALL This run was terminated on: 17:13:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=