Program PWSCF v.5.1.1 starts on 23Jul2015 at 12:23:57 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 16 6 382 145 38 Max 31 17 7 385 156 41 Sum 963 515 207 12293 4815 1259 bravais-lattice index = 14 lattice parameter (alat) = 6.5519 a.u. unit-cell volume = 123.2276 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry convergence threshold = 1.0E-08 mixing beta = 0.3000 number of iterations used = 8 plain mixing Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.551928 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.746445 celldm(5)= -0.746445 celldm(6)= 0.492891 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.492891 0.870091 0.000000 ) a(3) = ( -0.746445 -0.435046 0.503542 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.566482 0.992966 ) b(2) = ( 0.000000 1.149305 0.992966 ) b(3) = ( 0.000000 0.000000 1.985931 ) PseudoPot. # 1 for C read from file: /home/autes/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 PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 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_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 818 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0005903 k( 2) = ( 0.0000000 0.0000000 0.1418522), wk = 0.0011806 k( 3) = ( 0.0000000 0.0000000 0.2837045), wk = 0.0011806 k( 4) = ( 0.0000000 0.0000000 0.4255567), wk = 0.0011806 k( 5) = ( 0.0000000 0.0000000 0.5674089), wk = 0.0011806 k( 6) = ( 0.0000000 0.0000000 0.7092612), wk = 0.0011806 k( 7) = ( 0.0000000 0.0000000 0.8511134), wk = 0.0011806 k( 8) = ( 0.0000000 0.0000000 -0.9929656), wk = 0.0005903 k( 9) = ( 0.0000000 0.1044823 0.0902696), wk = 0.0011806 k( 10) = ( 0.0000000 0.1044823 0.2321218), wk = 0.0011806 k( 11) = ( 0.0000000 0.1044823 0.3739741), wk = 0.0011806 k( 12) = ( 0.0000000 0.1044823 0.5158263), wk = 0.0011806 k( 13) = ( 0.0000000 0.1044823 0.6576785), wk = 0.0011806 k( 14) = ( 0.0000000 0.1044823 0.7995308), wk = 0.0011806 k( 15) = ( 0.0000000 0.1044823 0.9413830), wk = 0.0011806 k( 16) = ( 0.0000000 0.1044823 -0.9026960), wk = 0.0011806 k( 17) = ( 0.0000000 0.1044823 -0.7608438), wk = 0.0011806 k( 18) = ( 0.0000000 0.1044823 -0.6189916), wk = 0.0011806 k( 19) = ( 0.0000000 0.1044823 -0.4771393), wk = 0.0011806 k( 20) = ( 0.0000000 0.1044823 -0.3352871), wk = 0.0011806 k( 21) = ( 0.0000000 0.1044823 -0.1934349), wk = 0.0011806 k( 22) = ( 0.0000000 0.1044823 -0.0515826), wk = 0.0011806 k( 23) = ( 0.0000000 0.2089645 0.1805392), wk = 0.0011806 k( 24) = ( 0.0000000 0.2089645 0.3223914), wk = 0.0011806 k( 25) = ( 0.0000000 0.2089645 0.4642437), wk = 0.0011806 k( 26) = ( 0.0000000 0.2089645 0.6060959), wk = 0.0011806 k( 27) = ( 0.0000000 0.2089645 0.7479482), wk = 0.0011806 k( 28) = ( 0.0000000 0.2089645 0.8898004), wk = 0.0011806 k( 29) = ( 0.0000000 0.2089645 1.0316526), wk = 0.0011806 k( 30) = ( 0.0000000 0.2089645 -0.8124264), wk = 0.0011806 k( 31) = ( 0.0000000 0.2089645 -0.6705742), wk = 0.0011806 k( 32) = ( 0.0000000 0.2089645 -0.5287220), wk = 0.0011806 k( 33) = ( 0.0000000 0.2089645 -0.3868697), wk = 0.0011806 k( 34) = ( 0.0000000 0.2089645 -0.2450175), wk = 0.0011806 k( 35) = ( 0.0000000 0.2089645 -0.1031653), wk = 0.0011806 k( 36) = ( 0.0000000 0.2089645 0.0386870), wk = 0.0011806 k( 37) = ( 0.0000000 0.3134468 0.2708088), wk = 0.0011806 k( 38) = ( 0.0000000 0.3134468 0.4126610), wk = 0.0011806 k( 39) = ( 0.0000000 0.3134468 0.5545133), wk = 0.0011806 k( 40) = ( 0.0000000 0.3134468 0.6963655), wk = 0.0011806 k( 41) = ( 0.0000000 0.3134468 0.8382178), wk = 0.0011806 k( 42) = ( 0.0000000 0.3134468 0.9800700), wk = 0.0011806 k( 43) = ( 0.0000000 0.3134468 1.1219222), wk = 0.0011806 k( 44) = ( 0.0000000 0.3134468 -0.7221568), wk = 0.0011806 k( 45) = ( 0.0000000 0.3134468 -0.5803046), wk = 0.0011806 k( 46) = ( 0.0000000 0.3134468 -0.4384524), wk = 0.0011806 k( 47) = ( 0.0000000 0.3134468 -0.2966001), wk = 0.0011806 k( 48) = ( 0.0000000 0.3134468 -0.1547479), wk = 0.0011806 k( 49) = ( 0.0000000 0.3134468 -0.0128957), wk = 0.0011806 k( 50) = ( 0.0000000 0.3134468 0.1289566), wk = 0.0011806 k( 51) = ( 0.0000000 0.4179290 0.3610784), wk = 0.0011806 k( 52) = ( 0.0000000 0.4179290 0.5029307), wk = 0.0011806 k( 53) = ( 0.0000000 0.4179290 0.6447829), wk = 0.0011806 k( 54) = ( 0.0000000 0.4179290 0.7866351), wk = 0.0011806 k( 55) = ( 0.0000000 0.4179290 0.9284874), wk = 0.0011806 k( 56) = ( 0.0000000 0.4179290 1.0703396), wk = 0.0011806 k( 57) = ( 0.0000000 0.4179290 1.2121918), wk = 0.0011806 k( 58) = ( 0.0000000 0.4179290 -0.6318872), wk = 0.0011806 k( 59) = ( 0.0000000 0.4179290 -0.4900350), wk = 0.0011806 k( 60) = ( 0.0000000 0.4179290 -0.3481828), wk = 0.0011806 k( 61) = ( 0.0000000 0.4179290 -0.2063305), wk = 0.0011806 k( 62) = ( 0.0000000 0.4179290 -0.0644783), wk = 0.0011806 k( 63) = ( 0.0000000 0.4179290 0.0773739), wk = 0.0011806 k( 64) = ( 0.0000000 0.4179290 0.2192262), wk = 0.0011806 k( 65) = ( 0.0000000 0.5224113 0.4513480), wk = 0.0011806 k( 66) = ( 0.0000000 0.5224113 0.5932003), wk = 0.0011806 k( 67) = ( 0.0000000 0.5224113 0.7350525), wk = 0.0011806 k( 68) = ( 0.0000000 0.5224113 0.8769047), wk = 0.0011806 k( 69) = ( 0.0000000 0.5224113 1.0187570), wk = 0.0011806 k( 70) = ( 0.0000000 0.5224113 1.1606092), wk = 0.0011806 k( 71) = ( 0.0000000 0.5224113 1.3024614), wk = 0.0011806 k( 72) = ( 0.0000000 0.5224113 -0.5416176), wk = 0.0011806 k( 73) = ( 0.0000000 0.5224113 -0.3997654), wk = 0.0011806 k( 74) = ( 0.0000000 0.5224113 -0.2579132), wk = 0.0011806 k( 75) = ( 0.0000000 0.5224113 -0.1160609), wk = 0.0011806 k( 76) = ( 0.0000000 0.5224113 0.0257913), wk = 0.0011806 k( 77) = ( 0.0000000 0.5224113 0.1676436), wk = 0.0011806 k( 78) = ( 0.0000000 0.5224113 0.3094958), wk = 0.0011806 k( 79) = ( 0.0909091 -0.0514983 0.0902696), wk = 0.0011806 k( 80) = ( 0.0909091 -0.0514983 0.2321218), wk = 0.0011806 k( 81) = ( 0.0909091 -0.0514983 0.3739741), wk = 0.0011806 k( 82) = ( 0.0909091 -0.0514983 0.5158263), wk = 0.0011806 k( 83) = ( 0.0909091 -0.0514983 0.6576785), wk = 0.0011806 k( 84) = ( 0.0909091 -0.0514983 0.7995308), wk = 0.0011806 k( 85) = ( 0.0909091 -0.0514983 0.9413830), wk = 0.0011806 k( 86) = ( 0.0909091 -0.0514983 -0.9026960), wk = 0.0011806 k( 87) = ( 0.0909091 -0.0514983 -0.7608438), wk = 0.0011806 k( 88) = ( 0.0909091 -0.0514983 -0.6189916), wk = 0.0011806 k( 89) = ( 0.0909091 -0.0514983 -0.4771393), wk = 0.0011806 k( 90) = ( 0.0909091 -0.0514983 -0.3352871), wk = 0.0011806 k( 91) = ( 0.0909091 -0.0514983 -0.1934349), wk = 0.0011806 k( 92) = ( 0.0909091 -0.0514983 -0.0515826), wk = 0.0011806 k( 93) = ( 0.0909091 0.0529839 0.1805392), wk = 0.0011806 k( 94) = ( 0.0909091 0.0529839 0.3223914), wk = 0.0011806 k( 95) = ( 0.0909091 0.0529839 0.4642437), wk = 0.0011806 k( 96) = ( 0.0909091 0.0529839 0.6060959), wk = 0.0011806 k( 97) = ( 0.0909091 0.0529839 0.7479482), wk = 0.0011806 k( 98) = ( 0.0909091 0.0529839 0.8898004), wk = 0.0011806 k( 99) = ( 0.0909091 0.0529839 1.0316526), wk = 0.0011806 k( 100) = ( 0.0909091 0.0529839 -0.8124264), wk = 0.0011806 k( 101) = ( 0.0909091 0.0529839 -0.6705742), wk = 0.0011806 k( 102) = ( 0.0909091 0.0529839 -0.5287220), wk = 0.0011806 k( 103) = ( 0.0909091 0.0529839 -0.3868697), wk = 0.0011806 k( 104) = ( 0.0909091 0.0529839 -0.2450175), wk = 0.0011806 k( 105) = ( 0.0909091 0.0529839 -0.1031653), wk = 0.0011806 k( 106) = ( 0.0909091 0.0529839 0.0386870), wk = 0.0011806 k( 107) = ( 0.0909091 0.1574662 0.2708088), wk = 0.0011806 k( 108) = ( 0.0909091 0.1574662 0.4126610), wk = 0.0011806 k( 109) = ( 0.0909091 0.1574662 0.5545133), wk = 0.0011806 k( 110) = ( 0.0909091 0.1574662 0.6963655), wk = 0.0011806 k( 111) = ( 0.0909091 0.1574662 0.8382178), wk = 0.0011806 k( 112) = ( 0.0909091 0.1574662 0.9800700), wk = 0.0011806 k( 113) = ( 0.0909091 0.1574662 1.1219222), wk = 0.0011806 k( 114) = ( 0.0909091 0.1574662 -0.7221568), wk = 0.0011806 k( 115) = ( 0.0909091 0.1574662 -0.5803046), wk = 0.0011806 k( 116) = ( 0.0909091 0.1574662 -0.4384524), wk = 0.0011806 k( 117) = ( 0.0909091 0.1574662 -0.2966001), wk = 0.0011806 k( 118) = ( 0.0909091 0.1574662 -0.1547479), wk = 0.0011806 k( 119) = ( 0.0909091 0.1574662 -0.0128957), wk = 0.0011806 k( 120) = ( 0.0909091 0.1574662 0.1289566), wk = 0.0011806 k( 121) = ( 0.0909091 0.2619484 0.3610784), wk = 0.0011806 k( 122) = ( 0.0909091 0.2619484 0.5029307), wk = 0.0011806 k( 123) = ( 0.0909091 0.2619484 0.6447829), wk = 0.0011806 k( 124) = ( 0.0909091 0.2619484 0.7866351), wk = 0.0011806 k( 125) = ( 0.0909091 0.2619484 0.9284874), wk = 0.0011806 k( 126) = ( 0.0909091 0.2619484 1.0703396), wk = 0.0011806 k( 127) = ( 0.0909091 0.2619484 1.2121918), wk = 0.0011806 k( 128) = ( 0.0909091 0.2619484 -0.6318872), wk = 0.0011806 k( 129) = ( 0.0909091 0.2619484 -0.4900350), wk = 0.0011806 k( 130) = ( 0.0909091 0.2619484 -0.3481828), wk = 0.0011806 k( 131) = ( 0.0909091 0.2619484 -0.2063305), wk = 0.0011806 k( 132) = ( 0.0909091 0.2619484 -0.0644783), wk = 0.0011806 k( 133) = ( 0.0909091 0.2619484 0.0773739), wk = 0.0011806 k( 134) = ( 0.0909091 0.2619484 0.2192262), wk = 0.0011806 k( 135) = ( 0.0909091 0.3664307 0.4513480), wk = 0.0011806 k( 136) = ( 0.0909091 0.3664307 0.5932003), wk = 0.0011806 k( 137) = ( 0.0909091 0.3664307 0.7350525), wk = 0.0011806 k( 138) = ( 0.0909091 0.3664307 0.8769047), wk = 0.0011806 k( 139) = ( 0.0909091 0.3664307 1.0187570), wk = 0.0011806 k( 140) = ( 0.0909091 0.3664307 1.1606092), wk = 0.0011806 k( 141) = ( 0.0909091 0.3664307 1.3024614), wk = 0.0011806 k( 142) = ( 0.0909091 0.3664307 -0.5416176), wk = 0.0011806 k( 143) = ( 0.0909091 0.3664307 -0.3997654), wk = 0.0011806 k( 144) = ( 0.0909091 0.3664307 -0.2579132), wk = 0.0011806 k( 145) = ( 0.0909091 0.3664307 -0.1160609), wk = 0.0011806 k( 146) = ( 0.0909091 0.3664307 0.0257913), wk = 0.0011806 k( 147) = ( 0.0909091 0.3664307 0.1676436), wk = 0.0011806 k( 148) = ( 0.0909091 0.3664307 0.3094958), wk = 0.0011806 k( 149) = ( 0.0909091 0.4709129 0.5416176), wk = 0.0011806 k( 150) = ( 0.0909091 0.4709129 0.6834699), wk = 0.0011806 k( 151) = ( 0.0909091 0.4709129 0.8253221), wk = 0.0011806 k( 152) = ( 0.0909091 0.4709129 0.9671743), wk = 0.0011806 k( 153) = ( 0.0909091 0.4709129 1.1090266), wk = 0.0011806 k( 154) = ( 0.0909091 0.4709129 1.2508788), wk = 0.0011806 k( 155) = ( 0.0909091 0.4709129 1.3927310), wk = 0.0011806 k( 156) = ( 0.0909091 0.4709129 -0.4513480), wk = 0.0011806 k( 157) = ( 0.0909091 0.4709129 -0.3094958), wk = 0.0011806 k( 158) = ( 0.0909091 0.4709129 -0.1676436), wk = 0.0011806 k( 159) = ( 0.0909091 0.4709129 -0.0257913), wk = 0.0011806 k( 160) = ( 0.0909091 0.4709129 0.1160609), wk = 0.0011806 k( 161) = ( 0.0909091 0.4709129 0.2579132), wk = 0.0011806 k( 162) = ( 0.0909091 0.4709129 0.3997654), wk = 0.0011806 k( 163) = ( 0.0909091 -0.5739096 -0.3610784), wk = 0.0011806 k( 164) = ( 0.0909091 -0.5739096 -0.2192262), wk = 0.0011806 k( 165) = ( 0.0909091 -0.5739096 -0.0773739), wk = 0.0011806 k( 166) = ( 0.0909091 -0.5739096 0.0644783), wk = 0.0011806 k( 167) = ( 0.0909091 -0.5739096 0.2063305), wk = 0.0011806 k( 168) = ( 0.0909091 -0.5739096 0.3481828), wk = 0.0011806 k( 169) = ( 0.0909091 -0.5739096 0.4900350), wk = 0.0011806 k( 170) = ( 0.0909091 -0.5739096 -1.3540441), wk = 0.0011806 k( 171) = ( 0.0909091 -0.5739096 -1.2121918), wk = 0.0011806 k( 172) = ( 0.0909091 -0.5739096 -1.0703396), wk = 0.0011806 k( 173) = ( 0.0909091 -0.5739096 -0.9284874), wk = 0.0011806 k( 174) = ( 0.0909091 -0.5739096 -0.7866351), wk = 0.0011806 k( 175) = ( 0.0909091 -0.5739096 -0.6447829), wk = 0.0011806 k( 176) = ( 0.0909091 -0.5739096 -0.5029307), wk = 0.0011806 k( 177) = ( 0.0909091 -0.4694273 -0.2708088), wk = 0.0011806 k( 178) = ( 0.0909091 -0.4694273 -0.1289566), wk = 0.0011806 k( 179) = ( 0.0909091 -0.4694273 0.0128957), wk = 0.0011806 k( 180) = ( 0.0909091 -0.4694273 0.1547479), wk = 0.0011806 k( 181) = ( 0.0909091 -0.4694273 0.2966001), wk = 0.0011806 k( 182) = ( 0.0909091 -0.4694273 0.4384524), wk = 0.0011806 k( 183) = ( 0.0909091 -0.4694273 0.5803046), wk = 0.0011806 k( 184) = ( 0.0909091 -0.4694273 -1.2637745), wk = 0.0011806 k( 185) = ( 0.0909091 -0.4694273 -1.1219222), wk = 0.0011806 k( 186) = ( 0.0909091 -0.4694273 -0.9800700), wk = 0.0011806 k( 187) = ( 0.0909091 -0.4694273 -0.8382178), wk = 0.0011806 k( 188) = ( 0.0909091 -0.4694273 -0.6963655), wk = 0.0011806 k( 189) = ( 0.0909091 -0.4694273 -0.5545133), wk = 0.0011806 k( 190) = ( 0.0909091 -0.4694273 -0.4126610), wk = 0.0011806 k( 191) = ( 0.0909091 -0.3649451 -0.1805392), wk = 0.0011806 k( 192) = ( 0.0909091 -0.3649451 -0.0386870), wk = 0.0011806 k( 193) = ( 0.0909091 -0.3649451 0.1031653), wk = 0.0011806 k( 194) = ( 0.0909091 -0.3649451 0.2450175), wk = 0.0011806 k( 195) = ( 0.0909091 -0.3649451 0.3868697), wk = 0.0011806 k( 196) = ( 0.0909091 -0.3649451 0.5287220), wk = 0.0011806 k( 197) = ( 0.0909091 -0.3649451 0.6705742), wk = 0.0011806 k( 198) = ( 0.0909091 -0.3649451 -1.1735049), wk = 0.0011806 k( 199) = ( 0.0909091 -0.3649451 -1.0316526), wk = 0.0011806 k( 200) = ( 0.0909091 -0.3649451 -0.8898004), wk = 0.0011806 k( 201) = ( 0.0909091 -0.3649451 -0.7479482), wk = 0.0011806 k( 202) = ( 0.0909091 -0.3649451 -0.6060959), wk = 0.0011806 k( 203) = ( 0.0909091 -0.3649451 -0.4642437), wk = 0.0011806 k( 204) = ( 0.0909091 -0.3649451 -0.3223914), wk = 0.0011806 k( 205) = ( 0.0909091 -0.2604628 -0.0902696), wk = 0.0011806 k( 206) = ( 0.0909091 -0.2604628 0.0515826), wk = 0.0011806 k( 207) = ( 0.0909091 -0.2604628 0.1934349), wk = 0.0011806 k( 208) = ( 0.0909091 -0.2604628 0.3352871), wk = 0.0011806 k( 209) = ( 0.0909091 -0.2604628 0.4771393), wk = 0.0011806 k( 210) = ( 0.0909091 -0.2604628 0.6189916), wk = 0.0011806 k( 211) = ( 0.0909091 -0.2604628 0.7608438), wk = 0.0011806 k( 212) = ( 0.0909091 -0.2604628 -1.0832353), wk = 0.0011806 k( 213) = ( 0.0909091 -0.2604628 -0.9413830), wk = 0.0011806 k( 214) = ( 0.0909091 -0.2604628 -0.7995308), wk = 0.0011806 k( 215) = ( 0.0909091 -0.2604628 -0.6576785), wk = 0.0011806 k( 216) = ( 0.0909091 -0.2604628 -0.5158263), wk = 0.0011806 k( 217) = ( 0.0909091 -0.2604628 -0.3739741), wk = 0.0011806 k( 218) = ( 0.0909091 -0.2604628 -0.2321218), wk = 0.0011806 k( 219) = ( 0.0909091 -0.1559806 -0.0000000), wk = 0.0011806 k( 220) = ( 0.0909091 -0.1559806 0.1418522), wk = 0.0023613 k( 221) = ( 0.0909091 -0.1559806 0.2837045), wk = 0.0023613 k( 222) = ( 0.0909091 -0.1559806 0.4255567), wk = 0.0023613 k( 223) = ( 0.0909091 -0.1559806 0.5674089), wk = 0.0023613 k( 224) = ( 0.0909091 -0.1559806 0.7092612), wk = 0.0023613 k( 225) = ( 0.0909091 -0.1559806 0.8511134), wk = 0.0023613 k( 226) = ( 0.0909091 -0.1559806 -0.9929656), wk = 0.0011806 k( 227) = ( 0.1818182 -0.1029967 0.1805392), wk = 0.0011806 k( 228) = ( 0.1818182 -0.1029967 0.3223914), wk = 0.0011806 k( 229) = ( 0.1818182 -0.1029967 0.4642437), wk = 0.0011806 k( 230) = ( 0.1818182 -0.1029967 0.6060959), wk = 0.0011806 k( 231) = ( 0.1818182 -0.1029967 0.7479482), wk = 0.0011806 k( 232) = ( 0.1818182 -0.1029967 0.8898004), wk = 0.0011806 k( 233) = ( 0.1818182 -0.1029967 1.0316526), wk = 0.0011806 k( 234) = ( 0.1818182 -0.1029967 -0.8124264), wk = 0.0011806 k( 235) = ( 0.1818182 -0.1029967 -0.6705742), wk = 0.0011806 k( 236) = ( 0.1818182 -0.1029967 -0.5287220), wk = 0.0011806 k( 237) = ( 0.1818182 -0.1029967 -0.3868697), wk = 0.0011806 k( 238) = ( 0.1818182 -0.1029967 -0.2450175), wk = 0.0011806 k( 239) = ( 0.1818182 -0.1029967 -0.1031653), wk = 0.0011806 k( 240) = ( 0.1818182 -0.1029967 0.0386870), wk = 0.0011806 k( 241) = ( 0.1818182 0.0014856 0.2708088), wk = 0.0011806 k( 242) = ( 0.1818182 0.0014856 0.4126610), wk = 0.0011806 k( 243) = ( 0.1818182 0.0014856 0.5545133), wk = 0.0011806 k( 244) = ( 0.1818182 0.0014856 0.6963655), wk = 0.0011806 k( 245) = ( 0.1818182 0.0014856 0.8382178), wk = 0.0011806 k( 246) = ( 0.1818182 0.0014856 0.9800700), wk = 0.0011806 k( 247) = ( 0.1818182 0.0014856 1.1219222), wk = 0.0011806 k( 248) = ( 0.1818182 0.0014856 -0.7221568), wk = 0.0011806 k( 249) = ( 0.1818182 0.0014856 -0.5803046), wk = 0.0011806 k( 250) = ( 0.1818182 0.0014856 -0.4384524), wk = 0.0011806 k( 251) = ( 0.1818182 0.0014856 -0.2966001), wk = 0.0011806 k( 252) = ( 0.1818182 0.0014856 -0.1547479), wk = 0.0011806 k( 253) = ( 0.1818182 0.0014856 -0.0128957), wk = 0.0011806 k( 254) = ( 0.1818182 0.0014856 0.1289566), wk = 0.0011806 k( 255) = ( 0.1818182 0.1059678 0.3610784), wk = 0.0011806 k( 256) = ( 0.1818182 0.1059678 0.5029307), wk = 0.0011806 k( 257) = ( 0.1818182 0.1059678 0.6447829), wk = 0.0011806 k( 258) = ( 0.1818182 0.1059678 0.7866351), wk = 0.0011806 k( 259) = ( 0.1818182 0.1059678 0.9284874), wk = 0.0011806 k( 260) = ( 0.1818182 0.1059678 1.0703396), wk = 0.0011806 k( 261) = ( 0.1818182 0.1059678 1.2121918), wk = 0.0011806 k( 262) = ( 0.1818182 0.1059678 -0.6318872), wk = 0.0011806 k( 263) = ( 0.1818182 0.1059678 -0.4900350), wk = 0.0011806 k( 264) = ( 0.1818182 0.1059678 -0.3481828), wk = 0.0011806 k( 265) = ( 0.1818182 0.1059678 -0.2063305), wk = 0.0011806 k( 266) = ( 0.1818182 0.1059678 -0.0644783), wk = 0.0011806 k( 267) = ( 0.1818182 0.1059678 0.0773739), wk = 0.0011806 k( 268) = ( 0.1818182 0.1059678 0.2192262), wk = 0.0011806 k( 269) = ( 0.1818182 0.2104501 0.4513480), wk = 0.0011806 k( 270) = ( 0.1818182 0.2104501 0.5932003), wk = 0.0011806 k( 271) = ( 0.1818182 0.2104501 0.7350525), wk = 0.0011806 k( 272) = ( 0.1818182 0.2104501 0.8769047), wk = 0.0011806 k( 273) = ( 0.1818182 0.2104501 1.0187570), wk = 0.0011806 k( 274) = ( 0.1818182 0.2104501 1.1606092), wk = 0.0011806 k( 275) = ( 0.1818182 0.2104501 1.3024614), wk = 0.0011806 k( 276) = ( 0.1818182 0.2104501 -0.5416176), wk = 0.0011806 k( 277) = ( 0.1818182 0.2104501 -0.3997654), wk = 0.0011806 k( 278) = ( 0.1818182 0.2104501 -0.2579132), wk = 0.0011806 k( 279) = ( 0.1818182 0.2104501 -0.1160609), wk = 0.0011806 k( 280) = ( 0.1818182 0.2104501 0.0257913), wk = 0.0011806 k( 281) = ( 0.1818182 0.2104501 0.1676436), wk = 0.0011806 k( 282) = ( 0.1818182 0.2104501 0.3094958), wk = 0.0011806 k( 283) = ( 0.1818182 0.3149323 0.5416176), wk = 0.0011806 k( 284) = ( 0.1818182 0.3149323 0.6834699), wk = 0.0011806 k( 285) = ( 0.1818182 0.3149323 0.8253221), wk = 0.0011806 k( 286) = ( 0.1818182 0.3149323 0.9671743), wk = 0.0011806 k( 287) = ( 0.1818182 0.3149323 1.1090266), wk = 0.0011806 k( 288) = ( 0.1818182 0.3149323 1.2508788), wk = 0.0011806 k( 289) = ( 0.1818182 0.3149323 1.3927310), wk = 0.0011806 k( 290) = ( 0.1818182 0.3149323 -0.4513480), wk = 0.0011806 k( 291) = ( 0.1818182 0.3149323 -0.3094958), wk = 0.0011806 k( 292) = ( 0.1818182 0.3149323 -0.1676436), wk = 0.0011806 k( 293) = ( 0.1818182 0.3149323 -0.0257913), wk = 0.0011806 k( 294) = ( 0.1818182 0.3149323 0.1160609), wk = 0.0011806 k( 295) = ( 0.1818182 0.3149323 0.2579132), wk = 0.0011806 k( 296) = ( 0.1818182 0.3149323 0.3997654), wk = 0.0011806 k( 297) = ( 0.1818182 0.4194146 0.6318872), wk = 0.0011806 k( 298) = ( 0.1818182 0.4194146 0.7737395), wk = 0.0011806 k( 299) = ( 0.1818182 0.4194146 0.9155917), wk = 0.0011806 k( 300) = ( 0.1818182 0.4194146 1.0574439), wk = 0.0011806 k( 301) = ( 0.1818182 0.4194146 1.1992962), wk = 0.0011806 k( 302) = ( 0.1818182 0.4194146 1.3411484), wk = 0.0011806 k( 303) = ( 0.1818182 0.4194146 1.4830006), wk = 0.0011806 k( 304) = ( 0.1818182 0.4194146 -0.3610784), wk = 0.0011806 k( 305) = ( 0.1818182 0.4194146 -0.2192262), wk = 0.0011806 k( 306) = ( 0.1818182 0.4194146 -0.0773739), wk = 0.0011806 k( 307) = ( 0.1818182 0.4194146 0.0644783), wk = 0.0011806 k( 308) = ( 0.1818182 0.4194146 0.2063305), wk = 0.0011806 k( 309) = ( 0.1818182 0.4194146 0.3481828), wk = 0.0011806 k( 310) = ( 0.1818182 0.4194146 0.4900350), wk = 0.0011806 k( 311) = ( 0.1818182 -0.6254079 -0.2708088), wk = 0.0011806 k( 312) = ( 0.1818182 -0.6254079 -0.1289566), wk = 0.0011806 k( 313) = ( 0.1818182 -0.6254079 0.0128957), wk = 0.0011806 k( 314) = ( 0.1818182 -0.6254079 0.1547479), wk = 0.0011806 k( 315) = ( 0.1818182 -0.6254079 0.2966001), wk = 0.0011806 k( 316) = ( 0.1818182 -0.6254079 0.4384524), wk = 0.0011806 k( 317) = ( 0.1818182 -0.6254079 0.5803046), wk = 0.0011806 k( 318) = ( 0.1818182 -0.6254079 -1.2637745), wk = 0.0011806 k( 319) = ( 0.1818182 -0.6254079 -1.1219222), wk = 0.0011806 k( 320) = ( 0.1818182 -0.6254079 -0.9800700), wk = 0.0011806 k( 321) = ( 0.1818182 -0.6254079 -0.8382178), wk = 0.0011806 k( 322) = ( 0.1818182 -0.6254079 -0.6963655), wk = 0.0011806 k( 323) = ( 0.1818182 -0.6254079 -0.5545133), wk = 0.0011806 k( 324) = ( 0.1818182 -0.6254079 -0.4126610), wk = 0.0011806 k( 325) = ( 0.1818182 -0.5209257 -0.1805392), wk = 0.0011806 k( 326) = ( 0.1818182 -0.5209257 -0.0386870), wk = 0.0011806 k( 327) = ( 0.1818182 -0.5209257 0.1031653), wk = 0.0011806 k( 328) = ( 0.1818182 -0.5209257 0.2450175), wk = 0.0011806 k( 329) = ( 0.1818182 -0.5209257 0.3868697), wk = 0.0011806 k( 330) = ( 0.1818182 -0.5209257 0.5287220), wk = 0.0011806 k( 331) = ( 0.1818182 -0.5209257 0.6705742), wk = 0.0011806 k( 332) = ( 0.1818182 -0.5209257 -1.1735049), wk = 0.0011806 k( 333) = ( 0.1818182 -0.5209257 -1.0316526), wk = 0.0011806 k( 334) = ( 0.1818182 -0.5209257 -0.8898004), wk = 0.0011806 k( 335) = ( 0.1818182 -0.5209257 -0.7479482), wk = 0.0011806 k( 336) = ( 0.1818182 -0.5209257 -0.6060959), wk = 0.0011806 k( 337) = ( 0.1818182 -0.5209257 -0.4642437), wk = 0.0011806 k( 338) = ( 0.1818182 -0.5209257 -0.3223914), wk = 0.0011806 k( 339) = ( 0.1818182 -0.4164434 -0.0902696), wk = 0.0011806 k( 340) = ( 0.1818182 -0.4164434 0.0515826), wk = 0.0011806 k( 341) = ( 0.1818182 -0.4164434 0.1934349), wk = 0.0011806 k( 342) = ( 0.1818182 -0.4164434 0.3352871), wk = 0.0011806 k( 343) = ( 0.1818182 -0.4164434 0.4771393), wk = 0.0011806 k( 344) = ( 0.1818182 -0.4164434 0.6189916), wk = 0.0011806 k( 345) = ( 0.1818182 -0.4164434 0.7608438), wk = 0.0011806 k( 346) = ( 0.1818182 -0.4164434 -1.0832353), wk = 0.0011806 k( 347) = ( 0.1818182 -0.4164434 -0.9413830), wk = 0.0011806 k( 348) = ( 0.1818182 -0.4164434 -0.7995308), wk = 0.0011806 k( 349) = ( 0.1818182 -0.4164434 -0.6576785), wk = 0.0011806 k( 350) = ( 0.1818182 -0.4164434 -0.5158263), wk = 0.0011806 k( 351) = ( 0.1818182 -0.4164434 -0.3739741), wk = 0.0011806 k( 352) = ( 0.1818182 -0.4164434 -0.2321218), wk = 0.0011806 k( 353) = ( 0.1818182 -0.3119612 0.0000000), wk = 0.0011806 k( 354) = ( 0.1818182 -0.3119612 0.1418522), wk = 0.0023613 k( 355) = ( 0.1818182 -0.3119612 0.2837045), wk = 0.0023613 k( 356) = ( 0.1818182 -0.3119612 0.4255567), wk = 0.0023613 k( 357) = ( 0.1818182 -0.3119612 0.5674089), wk = 0.0023613 k( 358) = ( 0.1818182 -0.3119612 0.7092612), wk = 0.0023613 k( 359) = ( 0.1818182 -0.3119612 0.8511134), wk = 0.0023613 k( 360) = ( 0.1818182 -0.3119612 -0.9929656), wk = 0.0011806 k( 361) = ( 0.1818182 -0.2074789 0.0902696), wk = 0.0011806 k( 362) = ( 0.1818182 -0.2074789 0.2321218), wk = 0.0011806 k( 363) = ( 0.1818182 -0.2074789 0.3739741), wk = 0.0011806 k( 364) = ( 0.1818182 -0.2074789 0.5158263), wk = 0.0011806 k( 365) = ( 0.1818182 -0.2074789 0.6576785), wk = 0.0011806 k( 366) = ( 0.1818182 -0.2074789 0.7995308), wk = 0.0011806 k( 367) = ( 0.1818182 -0.2074789 0.9413830), wk = 0.0011806 k( 368) = ( 0.1818182 -0.2074789 -0.9026960), wk = 0.0011806 k( 369) = ( 0.1818182 -0.2074789 -0.7608438), wk = 0.0011806 k( 370) = ( 0.1818182 -0.2074789 -0.6189916), wk = 0.0011806 k( 371) = ( 0.1818182 -0.2074789 -0.4771393), wk = 0.0011806 k( 372) = ( 0.1818182 -0.2074789 -0.3352871), wk = 0.0011806 k( 373) = ( 0.1818182 -0.2074789 -0.1934349), wk = 0.0011806 k( 374) = ( 0.1818182 -0.2074789 -0.0515826), wk = 0.0011806 k( 375) = ( 0.2727273 -0.1544950 0.2708088), wk = 0.0011806 k( 376) = ( 0.2727273 -0.1544950 0.4126610), wk = 0.0011806 k( 377) = ( 0.2727273 -0.1544950 0.5545133), wk = 0.0011806 k( 378) = ( 0.2727273 -0.1544950 0.6963655), wk = 0.0011806 k( 379) = ( 0.2727273 -0.1544950 0.8382178), wk = 0.0011806 k( 380) = ( 0.2727273 -0.1544950 0.9800700), wk = 0.0011806 k( 381) = ( 0.2727273 -0.1544950 1.1219222), wk = 0.0011806 k( 382) = ( 0.2727273 -0.1544950 -0.7221568), wk = 0.0011806 k( 383) = ( 0.2727273 -0.1544950 -0.5803046), wk = 0.0011806 k( 384) = ( 0.2727273 -0.1544950 -0.4384524), wk = 0.0011806 k( 385) = ( 0.2727273 -0.1544950 -0.2966001), wk = 0.0011806 k( 386) = ( 0.2727273 -0.1544950 -0.1547479), wk = 0.0011806 k( 387) = ( 0.2727273 -0.1544950 -0.0128957), wk = 0.0011806 k( 388) = ( 0.2727273 -0.1544950 0.1289566), wk = 0.0011806 k( 389) = ( 0.2727273 -0.0500127 0.3610784), wk = 0.0011806 k( 390) = ( 0.2727273 -0.0500127 0.5029307), wk = 0.0011806 k( 391) = ( 0.2727273 -0.0500127 0.6447829), wk = 0.0011806 k( 392) = ( 0.2727273 -0.0500127 0.7866351), wk = 0.0011806 k( 393) = ( 0.2727273 -0.0500127 0.9284874), wk = 0.0011806 k( 394) = ( 0.2727273 -0.0500127 1.0703396), wk = 0.0011806 k( 395) = ( 0.2727273 -0.0500127 1.2121918), wk = 0.0011806 k( 396) = ( 0.2727273 -0.0500127 -0.6318872), wk = 0.0011806 k( 397) = ( 0.2727273 -0.0500127 -0.4900350), wk = 0.0011806 k( 398) = ( 0.2727273 -0.0500127 -0.3481828), wk = 0.0011806 k( 399) = ( 0.2727273 -0.0500127 -0.2063305), wk = 0.0011806 k( 400) = ( 0.2727273 -0.0500127 -0.0644783), wk = 0.0011806 k( 401) = ( 0.2727273 -0.0500127 0.0773739), wk = 0.0011806 k( 402) = ( 0.2727273 -0.0500127 0.2192262), wk = 0.0011806 k( 403) = ( 0.2727273 0.0544695 0.4513480), wk = 0.0011806 k( 404) = ( 0.2727273 0.0544695 0.5932003), wk = 0.0011806 k( 405) = ( 0.2727273 0.0544695 0.7350525), wk = 0.0011806 k( 406) = ( 0.2727273 0.0544695 0.8769047), wk = 0.0011806 k( 407) = ( 0.2727273 0.0544695 1.0187570), wk = 0.0011806 k( 408) = ( 0.2727273 0.0544695 1.1606092), wk = 0.0011806 k( 409) = ( 0.2727273 0.0544695 1.3024614), wk = 0.0011806 k( 410) = ( 0.2727273 0.0544695 -0.5416176), wk = 0.0011806 k( 411) = ( 0.2727273 0.0544695 -0.3997654), wk = 0.0011806 k( 412) = ( 0.2727273 0.0544695 -0.2579132), wk = 0.0011806 k( 413) = ( 0.2727273 0.0544695 -0.1160609), wk = 0.0011806 k( 414) = ( 0.2727273 0.0544695 0.0257913), wk = 0.0011806 k( 415) = ( 0.2727273 0.0544695 0.1676436), wk = 0.0011806 k( 416) = ( 0.2727273 0.0544695 0.3094958), wk = 0.0011806 k( 417) = ( 0.2727273 0.1589518 0.5416176), wk = 0.0011806 k( 418) = ( 0.2727273 0.1589518 0.6834699), wk = 0.0011806 k( 419) = ( 0.2727273 0.1589518 0.8253221), wk = 0.0011806 k( 420) = ( 0.2727273 0.1589518 0.9671743), wk = 0.0011806 k( 421) = ( 0.2727273 0.1589518 1.1090266), wk = 0.0011806 k( 422) = ( 0.2727273 0.1589518 1.2508788), wk = 0.0011806 k( 423) = ( 0.2727273 0.1589518 1.3927310), wk = 0.0011806 k( 424) = ( 0.2727273 0.1589518 -0.4513480), wk = 0.0011806 k( 425) = ( 0.2727273 0.1589518 -0.3094958), wk = 0.0011806 k( 426) = ( 0.2727273 0.1589518 -0.1676436), wk = 0.0011806 k( 427) = ( 0.2727273 0.1589518 -0.0257913), wk = 0.0011806 k( 428) = ( 0.2727273 0.1589518 0.1160609), wk = 0.0011806 k( 429) = ( 0.2727273 0.1589518 0.2579132), wk = 0.0011806 k( 430) = ( 0.2727273 0.1589518 0.3997654), wk = 0.0011806 k( 431) = ( 0.2727273 0.2634340 0.6318872), wk = 0.0011806 k( 432) = ( 0.2727273 0.2634340 0.7737395), wk = 0.0011806 k( 433) = ( 0.2727273 0.2634340 0.9155917), wk = 0.0011806 k( 434) = ( 0.2727273 0.2634340 1.0574439), wk = 0.0011806 k( 435) = ( 0.2727273 0.2634340 1.1992962), wk = 0.0011806 k( 436) = ( 0.2727273 0.2634340 1.3411484), wk = 0.0011806 k( 437) = ( 0.2727273 0.2634340 1.4830006), wk = 0.0011806 k( 438) = ( 0.2727273 0.2634340 -0.3610784), wk = 0.0011806 k( 439) = ( 0.2727273 0.2634340 -0.2192262), wk = 0.0011806 k( 440) = ( 0.2727273 0.2634340 -0.0773739), wk = 0.0011806 k( 441) = ( 0.2727273 0.2634340 0.0644783), wk = 0.0011806 k( 442) = ( 0.2727273 0.2634340 0.2063305), wk = 0.0011806 k( 443) = ( 0.2727273 0.2634340 0.3481828), wk = 0.0011806 k( 444) = ( 0.2727273 0.2634340 0.4900350), wk = 0.0011806 k( 445) = ( 0.2727273 0.3679163 0.7221568), wk = 0.0011806 k( 446) = ( 0.2727273 0.3679163 0.8640091), wk = 0.0011806 k( 447) = ( 0.2727273 0.3679163 1.0058613), wk = 0.0011806 k( 448) = ( 0.2727273 0.3679163 1.1477135), wk = 0.0011806 k( 449) = ( 0.2727273 0.3679163 1.2895658), wk = 0.0011806 k( 450) = ( 0.2727273 0.3679163 1.4314180), wk = 0.0011806 k( 451) = ( 0.2727273 0.3679163 1.5732702), wk = 0.0011806 k( 452) = ( 0.2727273 0.3679163 -0.2708088), wk = 0.0011806 k( 453) = ( 0.2727273 0.3679163 -0.1289566), wk = 0.0011806 k( 454) = ( 0.2727273 0.3679163 0.0128957), wk = 0.0011806 k( 455) = ( 0.2727273 0.3679163 0.1547479), wk = 0.0011806 k( 456) = ( 0.2727273 0.3679163 0.2966001), wk = 0.0011806 k( 457) = ( 0.2727273 0.3679163 0.4384524), wk = 0.0011806 k( 458) = ( 0.2727273 0.3679163 0.5803046), wk = 0.0011806 k( 459) = ( 0.2727273 -0.6769063 -0.1805392), wk = 0.0011806 k( 460) = ( 0.2727273 -0.6769063 -0.0386870), wk = 0.0011806 k( 461) = ( 0.2727273 -0.6769063 0.1031653), wk = 0.0011806 k( 462) = ( 0.2727273 -0.6769063 0.2450175), wk = 0.0011806 k( 463) = ( 0.2727273 -0.6769063 0.3868697), wk = 0.0011806 k( 464) = ( 0.2727273 -0.6769063 0.5287220), wk = 0.0011806 k( 465) = ( 0.2727273 -0.6769063 0.6705742), wk = 0.0011806 k( 466) = ( 0.2727273 -0.6769063 -1.1735049), wk = 0.0011806 k( 467) = ( 0.2727273 -0.6769063 -1.0316526), wk = 0.0011806 k( 468) = ( 0.2727273 -0.6769063 -0.8898004), wk = 0.0011806 k( 469) = ( 0.2727273 -0.6769063 -0.7479482), wk = 0.0011806 k( 470) = ( 0.2727273 -0.6769063 -0.6060959), wk = 0.0011806 k( 471) = ( 0.2727273 -0.6769063 -0.4642437), wk = 0.0011806 k( 472) = ( 0.2727273 -0.6769063 -0.3223914), wk = 0.0011806 k( 473) = ( 0.2727273 -0.5724240 -0.0902696), wk = 0.0011806 k( 474) = ( 0.2727273 -0.5724240 0.0515826), wk = 0.0011806 k( 475) = ( 0.2727273 -0.5724240 0.1934349), wk = 0.0011806 k( 476) = ( 0.2727273 -0.5724240 0.3352871), wk = 0.0011806 k( 477) = ( 0.2727273 -0.5724240 0.4771393), wk = 0.0011806 k( 478) = ( 0.2727273 -0.5724240 0.6189916), wk = 0.0011806 k( 479) = ( 0.2727273 -0.5724240 0.7608438), wk = 0.0011806 k( 480) = ( 0.2727273 -0.5724240 -1.0832353), wk = 0.0011806 k( 481) = ( 0.2727273 -0.5724240 -0.9413830), wk = 0.0011806 k( 482) = ( 0.2727273 -0.5724240 -0.7995308), wk = 0.0011806 k( 483) = ( 0.2727273 -0.5724240 -0.6576785), wk = 0.0011806 k( 484) = ( 0.2727273 -0.5724240 -0.5158263), wk = 0.0011806 k( 485) = ( 0.2727273 -0.5724240 -0.3739741), wk = 0.0011806 k( 486) = ( 0.2727273 -0.5724240 -0.2321218), wk = 0.0011806 k( 487) = ( 0.2727273 -0.4679418 -0.0000000), wk = 0.0011806 k( 488) = ( 0.2727273 -0.4679418 0.1418522), wk = 0.0023613 k( 489) = ( 0.2727273 -0.4679418 0.2837045), wk = 0.0023613 k( 490) = ( 0.2727273 -0.4679418 0.4255567), wk = 0.0023613 k( 491) = ( 0.2727273 -0.4679418 0.5674089), wk = 0.0023613 k( 492) = ( 0.2727273 -0.4679418 0.7092612), wk = 0.0023613 k( 493) = ( 0.2727273 -0.4679418 0.8511134), wk = 0.0023613 k( 494) = ( 0.2727273 -0.4679418 -0.9929656), wk = 0.0011806 k( 495) = ( 0.2727273 -0.3634595 0.0902696), wk = 0.0011806 k( 496) = ( 0.2727273 -0.3634595 0.2321218), wk = 0.0011806 k( 497) = ( 0.2727273 -0.3634595 0.3739741), wk = 0.0011806 k( 498) = ( 0.2727273 -0.3634595 0.5158263), wk = 0.0011806 k( 499) = ( 0.2727273 -0.3634595 0.6576785), wk = 0.0011806 k( 500) = ( 0.2727273 -0.3634595 0.7995308), wk = 0.0011806 k( 501) = ( 0.2727273 -0.3634595 0.9413830), wk = 0.0011806 k( 502) = ( 0.2727273 -0.3634595 -0.9026960), wk = 0.0011806 k( 503) = ( 0.2727273 -0.3634595 -0.7608438), wk = 0.0011806 k( 504) = ( 0.2727273 -0.3634595 -0.6189916), wk = 0.0011806 k( 505) = ( 0.2727273 -0.3634595 -0.4771393), wk = 0.0011806 k( 506) = ( 0.2727273 -0.3634595 -0.3352871), wk = 0.0011806 k( 507) = ( 0.2727273 -0.3634595 -0.1934349), wk = 0.0011806 k( 508) = ( 0.2727273 -0.3634595 -0.0515826), wk = 0.0011806 k( 509) = ( 0.2727273 -0.2589773 0.1805392), wk = 0.0011806 k( 510) = ( 0.2727273 -0.2589773 0.3223914), wk = 0.0011806 k( 511) = ( 0.2727273 -0.2589773 0.4642437), wk = 0.0011806 k( 512) = ( 0.2727273 -0.2589773 0.6060959), wk = 0.0011806 k( 513) = ( 0.2727273 -0.2589773 0.7479482), wk = 0.0011806 k( 514) = ( 0.2727273 -0.2589773 0.8898004), wk = 0.0011806 k( 515) = ( 0.2727273 -0.2589773 1.0316526), wk = 0.0011806 k( 516) = ( 0.2727273 -0.2589773 -0.8124264), wk = 0.0011806 k( 517) = ( 0.2727273 -0.2589773 -0.6705742), wk = 0.0011806 k( 518) = ( 0.2727273 -0.2589773 -0.5287220), wk = 0.0011806 k( 519) = ( 0.2727273 -0.2589773 -0.3868697), wk = 0.0011806 k( 520) = ( 0.2727273 -0.2589773 -0.2450175), wk = 0.0011806 k( 521) = ( 0.2727273 -0.2589773 -0.1031653), wk = 0.0011806 k( 522) = ( 0.2727273 -0.2589773 0.0386870), wk = 0.0011806 k( 523) = ( 0.3636364 -0.2059933 0.3610784), wk = 0.0011806 k( 524) = ( 0.3636364 -0.2059933 0.5029307), wk = 0.0011806 k( 525) = ( 0.3636364 -0.2059933 0.6447829), wk = 0.0011806 k( 526) = ( 0.3636364 -0.2059933 0.7866351), wk = 0.0011806 k( 527) = ( 0.3636364 -0.2059933 0.9284874), wk = 0.0011806 k( 528) = ( 0.3636364 -0.2059933 1.0703396), wk = 0.0011806 k( 529) = ( 0.3636364 -0.2059933 1.2121918), wk = 0.0011806 k( 530) = ( 0.3636364 -0.2059933 -0.6318872), wk = 0.0011806 k( 531) = ( 0.3636364 -0.2059933 -0.4900350), wk = 0.0011806 k( 532) = ( 0.3636364 -0.2059933 -0.3481828), wk = 0.0011806 k( 533) = ( 0.3636364 -0.2059933 -0.2063305), wk = 0.0011806 k( 534) = ( 0.3636364 -0.2059933 -0.0644783), wk = 0.0011806 k( 535) = ( 0.3636364 -0.2059933 0.0773739), wk = 0.0011806 k( 536) = ( 0.3636364 -0.2059933 0.2192262), wk = 0.0011806 k( 537) = ( 0.3636364 -0.1015111 0.4513480), wk = 0.0011806 k( 538) = ( 0.3636364 -0.1015111 0.5932003), wk = 0.0011806 k( 539) = ( 0.3636364 -0.1015111 0.7350525), wk = 0.0011806 k( 540) = ( 0.3636364 -0.1015111 0.8769047), wk = 0.0011806 k( 541) = ( 0.3636364 -0.1015111 1.0187570), wk = 0.0011806 k( 542) = ( 0.3636364 -0.1015111 1.1606092), wk = 0.0011806 k( 543) = ( 0.3636364 -0.1015111 1.3024614), wk = 0.0011806 k( 544) = ( 0.3636364 -0.1015111 -0.5416176), wk = 0.0011806 k( 545) = ( 0.3636364 -0.1015111 -0.3997654), wk = 0.0011806 k( 546) = ( 0.3636364 -0.1015111 -0.2579132), wk = 0.0011806 k( 547) = ( 0.3636364 -0.1015111 -0.1160609), wk = 0.0011806 k( 548) = ( 0.3636364 -0.1015111 0.0257913), wk = 0.0011806 k( 549) = ( 0.3636364 -0.1015111 0.1676436), wk = 0.0011806 k( 550) = ( 0.3636364 -0.1015111 0.3094958), wk = 0.0011806 k( 551) = ( 0.3636364 0.0029712 0.5416176), wk = 0.0011806 k( 552) = ( 0.3636364 0.0029712 0.6834699), wk = 0.0011806 k( 553) = ( 0.3636364 0.0029712 0.8253221), wk = 0.0011806 k( 554) = ( 0.3636364 0.0029712 0.9671743), wk = 0.0011806 k( 555) = ( 0.3636364 0.0029712 1.1090266), wk = 0.0011806 k( 556) = ( 0.3636364 0.0029712 1.2508788), wk = 0.0011806 k( 557) = ( 0.3636364 0.0029712 1.3927310), wk = 0.0011806 k( 558) = ( 0.3636364 0.0029712 -0.4513480), wk = 0.0011806 k( 559) = ( 0.3636364 0.0029712 -0.3094958), wk = 0.0011806 k( 560) = ( 0.3636364 0.0029712 -0.1676436), wk = 0.0011806 k( 561) = ( 0.3636364 0.0029712 -0.0257913), wk = 0.0011806 k( 562) = ( 0.3636364 0.0029712 0.1160609), wk = 0.0011806 k( 563) = ( 0.3636364 0.0029712 0.2579132), wk = 0.0011806 k( 564) = ( 0.3636364 0.0029712 0.3997654), wk = 0.0011806 k( 565) = ( 0.3636364 0.1074534 0.6318872), wk = 0.0011806 k( 566) = ( 0.3636364 0.1074534 0.7737395), wk = 0.0011806 k( 567) = ( 0.3636364 0.1074534 0.9155917), wk = 0.0011806 k( 568) = ( 0.3636364 0.1074534 1.0574439), wk = 0.0011806 k( 569) = ( 0.3636364 0.1074534 1.1992962), wk = 0.0011806 k( 570) = ( 0.3636364 0.1074534 1.3411484), wk = 0.0011806 k( 571) = ( 0.3636364 0.1074534 1.4830006), wk = 0.0011806 k( 572) = ( 0.3636364 0.1074534 -0.3610784), wk = 0.0011806 k( 573) = ( 0.3636364 0.1074534 -0.2192262), wk = 0.0011806 k( 574) = ( 0.3636364 0.1074534 -0.0773739), wk = 0.0011806 k( 575) = ( 0.3636364 0.1074534 0.0644783), wk = 0.0011806 k( 576) = ( 0.3636364 0.1074534 0.2063305), wk = 0.0011806 k( 577) = ( 0.3636364 0.1074534 0.3481828), wk = 0.0011806 k( 578) = ( 0.3636364 0.1074534 0.4900350), wk = 0.0011806 k( 579) = ( 0.3636364 0.2119357 0.7221568), wk = 0.0011806 k( 580) = ( 0.3636364 0.2119357 0.8640091), wk = 0.0011806 k( 581) = ( 0.3636364 0.2119357 1.0058613), wk = 0.0011806 k( 582) = ( 0.3636364 0.2119357 1.1477135), wk = 0.0011806 k( 583) = ( 0.3636364 0.2119357 1.2895658), wk = 0.0011806 k( 584) = ( 0.3636364 0.2119357 1.4314180), wk = 0.0011806 k( 585) = ( 0.3636364 0.2119357 1.5732702), wk = 0.0011806 k( 586) = ( 0.3636364 0.2119357 -0.2708088), wk = 0.0011806 k( 587) = ( 0.3636364 0.2119357 -0.1289566), wk = 0.0011806 k( 588) = ( 0.3636364 0.2119357 0.0128957), wk = 0.0011806 k( 589) = ( 0.3636364 0.2119357 0.1547479), wk = 0.0011806 k( 590) = ( 0.3636364 0.2119357 0.2966001), wk = 0.0011806 k( 591) = ( 0.3636364 0.2119357 0.4384524), wk = 0.0011806 k( 592) = ( 0.3636364 0.2119357 0.5803046), wk = 0.0011806 k( 593) = ( 0.3636364 0.3164179 0.8124264), wk = 0.0011806 k( 594) = ( 0.3636364 0.3164179 0.9542787), wk = 0.0011806 k( 595) = ( 0.3636364 0.3164179 1.0961309), wk = 0.0011806 k( 596) = ( 0.3636364 0.3164179 1.2379831), wk = 0.0011806 k( 597) = ( 0.3636364 0.3164179 1.3798354), wk = 0.0011806 k( 598) = ( 0.3636364 0.3164179 1.5216876), wk = 0.0011806 k( 599) = ( 0.3636364 0.3164179 1.6635399), wk = 0.0011806 k( 600) = ( 0.3636364 0.3164179 -0.1805392), wk = 0.0011806 k( 601) = ( 0.3636364 0.3164179 -0.0386870), wk = 0.0011806 k( 602) = ( 0.3636364 0.3164179 0.1031653), wk = 0.0011806 k( 603) = ( 0.3636364 0.3164179 0.2450175), wk = 0.0011806 k( 604) = ( 0.3636364 0.3164179 0.3868697), wk = 0.0011806 k( 605) = ( 0.3636364 0.3164179 0.5287220), wk = 0.0011806 k( 606) = ( 0.3636364 0.3164179 0.6705742), wk = 0.0011806 k( 607) = ( 0.3636364 -0.7284046 -0.0902696), wk = 0.0011806 k( 608) = ( 0.3636364 -0.7284046 0.0515826), wk = 0.0011806 k( 609) = ( 0.3636364 -0.7284046 0.1934349), wk = 0.0011806 k( 610) = ( 0.3636364 -0.7284046 0.3352871), wk = 0.0011806 k( 611) = ( 0.3636364 -0.7284046 0.4771393), wk = 0.0011806 k( 612) = ( 0.3636364 -0.7284046 0.6189916), wk = 0.0011806 k( 613) = ( 0.3636364 -0.7284046 0.7608438), wk = 0.0011806 k( 614) = ( 0.3636364 -0.7284046 -1.0832353), wk = 0.0011806 k( 615) = ( 0.3636364 -0.7284046 -0.9413830), wk = 0.0011806 k( 616) = ( 0.3636364 -0.7284046 -0.7995308), wk = 0.0011806 k( 617) = ( 0.3636364 -0.7284046 -0.6576785), wk = 0.0011806 k( 618) = ( 0.3636364 -0.7284046 -0.5158263), wk = 0.0011806 k( 619) = ( 0.3636364 -0.7284046 -0.3739741), wk = 0.0011806 k( 620) = ( 0.3636364 -0.7284046 -0.2321218), wk = 0.0011806 k( 621) = ( 0.3636364 -0.6239223 -0.0000000), wk = 0.0011806 k( 622) = ( 0.3636364 -0.6239223 0.1418522), wk = 0.0023613 k( 623) = ( 0.3636364 -0.6239223 0.2837045), wk = 0.0023613 k( 624) = ( 0.3636364 -0.6239223 0.4255567), wk = 0.0023613 k( 625) = ( 0.3636364 -0.6239223 0.5674089), wk = 0.0023613 k( 626) = ( 0.3636364 -0.6239223 0.7092612), wk = 0.0023613 k( 627) = ( 0.3636364 -0.6239223 0.8511134), wk = 0.0023613 k( 628) = ( 0.3636364 -0.6239223 -0.9929656), wk = 0.0011806 k( 629) = ( 0.3636364 -0.5194401 0.0902696), wk = 0.0011806 k( 630) = ( 0.3636364 -0.5194401 0.2321218), wk = 0.0011806 k( 631) = ( 0.3636364 -0.5194401 0.3739741), wk = 0.0011806 k( 632) = ( 0.3636364 -0.5194401 0.5158263), wk = 0.0011806 k( 633) = ( 0.3636364 -0.5194401 0.6576785), wk = 0.0011806 k( 634) = ( 0.3636364 -0.5194401 0.7995308), wk = 0.0011806 k( 635) = ( 0.3636364 -0.5194401 0.9413830), wk = 0.0011806 k( 636) = ( 0.3636364 -0.5194401 -0.9026960), wk = 0.0011806 k( 637) = ( 0.3636364 -0.5194401 -0.7608438), wk = 0.0011806 k( 638) = ( 0.3636364 -0.5194401 -0.6189916), wk = 0.0011806 k( 639) = ( 0.3636364 -0.5194401 -0.4771393), wk = 0.0011806 k( 640) = ( 0.3636364 -0.5194401 -0.3352871), wk = 0.0011806 k( 641) = ( 0.3636364 -0.5194401 -0.1934349), wk = 0.0011806 k( 642) = ( 0.3636364 -0.5194401 -0.0515826), wk = 0.0011806 k( 643) = ( 0.3636364 -0.4149578 0.1805392), wk = 0.0011806 k( 644) = ( 0.3636364 -0.4149578 0.3223914), wk = 0.0011806 k( 645) = ( 0.3636364 -0.4149578 0.4642437), wk = 0.0011806 k( 646) = ( 0.3636364 -0.4149578 0.6060959), wk = 0.0011806 k( 647) = ( 0.3636364 -0.4149578 0.7479482), wk = 0.0011806 k( 648) = ( 0.3636364 -0.4149578 0.8898004), wk = 0.0011806 k( 649) = ( 0.3636364 -0.4149578 1.0316526), wk = 0.0011806 k( 650) = ( 0.3636364 -0.4149578 -0.8124264), wk = 0.0011806 k( 651) = ( 0.3636364 -0.4149578 -0.6705742), wk = 0.0011806 k( 652) = ( 0.3636364 -0.4149578 -0.5287220), wk = 0.0011806 k( 653) = ( 0.3636364 -0.4149578 -0.3868697), wk = 0.0011806 k( 654) = ( 0.3636364 -0.4149578 -0.2450175), wk = 0.0011806 k( 655) = ( 0.3636364 -0.4149578 -0.1031653), wk = 0.0011806 k( 656) = ( 0.3636364 -0.4149578 0.0386870), wk = 0.0011806 k( 657) = ( 0.3636364 -0.3104756 0.2708088), wk = 0.0011806 k( 658) = ( 0.3636364 -0.3104756 0.4126610), wk = 0.0011806 k( 659) = ( 0.3636364 -0.3104756 0.5545133), wk = 0.0011806 k( 660) = ( 0.3636364 -0.3104756 0.6963655), wk = 0.0011806 k( 661) = ( 0.3636364 -0.3104756 0.8382178), wk = 0.0011806 k( 662) = ( 0.3636364 -0.3104756 0.9800700), wk = 0.0011806 k( 663) = ( 0.3636364 -0.3104756 1.1219222), wk = 0.0011806 k( 664) = ( 0.3636364 -0.3104756 -0.7221568), wk = 0.0011806 k( 665) = ( 0.3636364 -0.3104756 -0.5803046), wk = 0.0011806 k( 666) = ( 0.3636364 -0.3104756 -0.4384524), wk = 0.0011806 k( 667) = ( 0.3636364 -0.3104756 -0.2966001), wk = 0.0011806 k( 668) = ( 0.3636364 -0.3104756 -0.1547479), wk = 0.0011806 k( 669) = ( 0.3636364 -0.3104756 -0.0128957), wk = 0.0011806 k( 670) = ( 0.3636364 -0.3104756 0.1289566), wk = 0.0011806 k( 671) = ( 0.4545455 -0.2574917 0.4513480), wk = 0.0011806 k( 672) = ( 0.4545455 -0.2574917 0.5932003), wk = 0.0011806 k( 673) = ( 0.4545455 -0.2574917 0.7350525), wk = 0.0011806 k( 674) = ( 0.4545455 -0.2574917 0.8769047), wk = 0.0011806 k( 675) = ( 0.4545455 -0.2574917 1.0187570), wk = 0.0011806 k( 676) = ( 0.4545455 -0.2574917 1.1606092), wk = 0.0011806 k( 677) = ( 0.4545455 -0.2574917 1.3024614), wk = 0.0011806 k( 678) = ( 0.4545455 -0.2574917 -0.5416176), wk = 0.0011806 k( 679) = ( 0.4545455 -0.2574917 -0.3997654), wk = 0.0011806 k( 680) = ( 0.4545455 -0.2574917 -0.2579132), wk = 0.0011806 k( 681) = ( 0.4545455 -0.2574917 -0.1160609), wk = 0.0011806 k( 682) = ( 0.4545455 -0.2574917 0.0257913), wk = 0.0011806 k( 683) = ( 0.4545455 -0.2574917 0.1676436), wk = 0.0011806 k( 684) = ( 0.4545455 -0.2574917 0.3094958), wk = 0.0011806 k( 685) = ( 0.4545455 -0.1530094 0.5416176), wk = 0.0011806 k( 686) = ( 0.4545455 -0.1530094 0.6834699), wk = 0.0011806 k( 687) = ( 0.4545455 -0.1530094 0.8253221), wk = 0.0011806 k( 688) = ( 0.4545455 -0.1530094 0.9671743), wk = 0.0011806 k( 689) = ( 0.4545455 -0.1530094 1.1090266), wk = 0.0011806 k( 690) = ( 0.4545455 -0.1530094 1.2508788), wk = 0.0011806 k( 691) = ( 0.4545455 -0.1530094 1.3927310), wk = 0.0011806 k( 692) = ( 0.4545455 -0.1530094 -0.4513480), wk = 0.0011806 k( 693) = ( 0.4545455 -0.1530094 -0.3094958), wk = 0.0011806 k( 694) = ( 0.4545455 -0.1530094 -0.1676436), wk = 0.0011806 k( 695) = ( 0.4545455 -0.1530094 -0.0257913), wk = 0.0011806 k( 696) = ( 0.4545455 -0.1530094 0.1160609), wk = 0.0011806 k( 697) = ( 0.4545455 -0.1530094 0.2579132), wk = 0.0011806 k( 698) = ( 0.4545455 -0.1530094 0.3997654), wk = 0.0011806 k( 699) = ( 0.4545455 -0.0485272 0.6318872), wk = 0.0011806 k( 700) = ( 0.4545455 -0.0485272 0.7737395), wk = 0.0011806 k( 701) = ( 0.4545455 -0.0485272 0.9155917), wk = 0.0011806 k( 702) = ( 0.4545455 -0.0485272 1.0574439), wk = 0.0011806 k( 703) = ( 0.4545455 -0.0485272 1.1992962), wk = 0.0011806 k( 704) = ( 0.4545455 -0.0485272 1.3411484), wk = 0.0011806 k( 705) = ( 0.4545455 -0.0485272 1.4830006), wk = 0.0011806 k( 706) = ( 0.4545455 -0.0485272 -0.3610784), wk = 0.0011806 k( 707) = ( 0.4545455 -0.0485272 -0.2192262), wk = 0.0011806 k( 708) = ( 0.4545455 -0.0485272 -0.0773739), wk = 0.0011806 k( 709) = ( 0.4545455 -0.0485272 0.0644783), wk = 0.0011806 k( 710) = ( 0.4545455 -0.0485272 0.2063305), wk = 0.0011806 k( 711) = ( 0.4545455 -0.0485272 0.3481828), wk = 0.0011806 k( 712) = ( 0.4545455 -0.0485272 0.4900350), wk = 0.0011806 k( 713) = ( 0.4545455 0.0559551 0.7221568), wk = 0.0011806 k( 714) = ( 0.4545455 0.0559551 0.8640091), wk = 0.0011806 k( 715) = ( 0.4545455 0.0559551 1.0058613), wk = 0.0011806 k( 716) = ( 0.4545455 0.0559551 1.1477135), wk = 0.0011806 k( 717) = ( 0.4545455 0.0559551 1.2895658), wk = 0.0011806 k( 718) = ( 0.4545455 0.0559551 1.4314180), wk = 0.0011806 k( 719) = ( 0.4545455 0.0559551 1.5732702), wk = 0.0011806 k( 720) = ( 0.4545455 0.0559551 -0.2708088), wk = 0.0011806 k( 721) = ( 0.4545455 0.0559551 -0.1289566), wk = 0.0011806 k( 722) = ( 0.4545455 0.0559551 0.0128957), wk = 0.0011806 k( 723) = ( 0.4545455 0.0559551 0.1547479), wk = 0.0011806 k( 724) = ( 0.4545455 0.0559551 0.2966001), wk = 0.0011806 k( 725) = ( 0.4545455 0.0559551 0.4384524), wk = 0.0011806 k( 726) = ( 0.4545455 0.0559551 0.5803046), wk = 0.0011806 k( 727) = ( 0.4545455 0.1604373 0.8124264), wk = 0.0011806 k( 728) = ( 0.4545455 0.1604373 0.9542787), wk = 0.0011806 k( 729) = ( 0.4545455 0.1604373 1.0961309), wk = 0.0011806 k( 730) = ( 0.4545455 0.1604373 1.2379831), wk = 0.0011806 k( 731) = ( 0.4545455 0.1604373 1.3798354), wk = 0.0011806 k( 732) = ( 0.4545455 0.1604373 1.5216876), wk = 0.0011806 k( 733) = ( 0.4545455 0.1604373 1.6635399), wk = 0.0011806 k( 734) = ( 0.4545455 0.1604373 -0.1805392), wk = 0.0011806 k( 735) = ( 0.4545455 0.1604373 -0.0386870), wk = 0.0011806 k( 736) = ( 0.4545455 0.1604373 0.1031653), wk = 0.0011806 k( 737) = ( 0.4545455 0.1604373 0.2450175), wk = 0.0011806 k( 738) = ( 0.4545455 0.1604373 0.3868697), wk = 0.0011806 k( 739) = ( 0.4545455 0.1604373 0.5287220), wk = 0.0011806 k( 740) = ( 0.4545455 0.1604373 0.6705742), wk = 0.0011806 k( 741) = ( 0.4545455 0.2649196 0.9026960), wk = 0.0011806 k( 742) = ( 0.4545455 0.2649196 1.0445483), wk = 0.0011806 k( 743) = ( 0.4545455 0.2649196 1.1864005), wk = 0.0011806 k( 744) = ( 0.4545455 0.2649196 1.3282528), wk = 0.0011806 k( 745) = ( 0.4545455 0.2649196 1.4701050), wk = 0.0011806 k( 746) = ( 0.4545455 0.2649196 1.6119572), wk = 0.0011806 k( 747) = ( 0.4545455 0.2649196 1.7538095), wk = 0.0011806 k( 748) = ( 0.4545455 0.2649196 -0.0902696), wk = 0.0011806 k( 749) = ( 0.4545455 0.2649196 0.0515826), wk = 0.0011806 k( 750) = ( 0.4545455 0.2649196 0.1934349), wk = 0.0011806 k( 751) = ( 0.4545455 0.2649196 0.3352871), wk = 0.0011806 k( 752) = ( 0.4545455 0.2649196 0.4771393), wk = 0.0011806 k( 753) = ( 0.4545455 0.2649196 0.6189916), wk = 0.0011806 k( 754) = ( 0.4545455 0.2649196 0.7608438), wk = 0.0011806 k( 755) = ( 0.4545455 -0.7799029 -0.0000000), wk = 0.0011806 k( 756) = ( 0.4545455 -0.7799029 0.1418522), wk = 0.0023613 k( 757) = ( 0.4545455 -0.7799029 0.2837045), wk = 0.0023613 k( 758) = ( 0.4545455 -0.7799029 0.4255567), wk = 0.0023613 k( 759) = ( 0.4545455 -0.7799029 0.5674089), wk = 0.0023613 k( 760) = ( 0.4545455 -0.7799029 0.7092612), wk = 0.0023613 k( 761) = ( 0.4545455 -0.7799029 0.8511134), wk = 0.0023613 k( 762) = ( 0.4545455 -0.7799029 -0.9929656), wk = 0.0011806 k( 763) = ( 0.4545455 -0.6754207 0.0902696), wk = 0.0011806 k( 764) = ( 0.4545455 -0.6754207 0.2321218), wk = 0.0011806 k( 765) = ( 0.4545455 -0.6754207 0.3739741), wk = 0.0011806 k( 766) = ( 0.4545455 -0.6754207 0.5158263), wk = 0.0011806 k( 767) = ( 0.4545455 -0.6754207 0.6576785), wk = 0.0011806 k( 768) = ( 0.4545455 -0.6754207 0.7995308), wk = 0.0011806 k( 769) = ( 0.4545455 -0.6754207 0.9413830), wk = 0.0011806 k( 770) = ( 0.4545455 -0.6754207 -0.9026960), wk = 0.0011806 k( 771) = ( 0.4545455 -0.6754207 -0.7608438), wk = 0.0011806 k( 772) = ( 0.4545455 -0.6754207 -0.6189916), wk = 0.0011806 k( 773) = ( 0.4545455 -0.6754207 -0.4771393), wk = 0.0011806 k( 774) = ( 0.4545455 -0.6754207 -0.3352871), wk = 0.0011806 k( 775) = ( 0.4545455 -0.6754207 -0.1934349), wk = 0.0011806 k( 776) = ( 0.4545455 -0.6754207 -0.0515826), wk = 0.0011806 k( 777) = ( 0.4545455 -0.5709384 0.1805392), wk = 0.0011806 k( 778) = ( 0.4545455 -0.5709384 0.3223914), wk = 0.0011806 k( 779) = ( 0.4545455 -0.5709384 0.4642437), wk = 0.0011806 k( 780) = ( 0.4545455 -0.5709384 0.6060959), wk = 0.0011806 k( 781) = ( 0.4545455 -0.5709384 0.7479482), wk = 0.0011806 k( 782) = ( 0.4545455 -0.5709384 0.8898004), wk = 0.0011806 k( 783) = ( 0.4545455 -0.5709384 1.0316526), wk = 0.0011806 k( 784) = ( 0.4545455 -0.5709384 -0.8124264), wk = 0.0011806 k( 785) = ( 0.4545455 -0.5709384 -0.6705742), wk = 0.0011806 k( 786) = ( 0.4545455 -0.5709384 -0.5287220), wk = 0.0011806 k( 787) = ( 0.4545455 -0.5709384 -0.3868697), wk = 0.0011806 k( 788) = ( 0.4545455 -0.5709384 -0.2450175), wk = 0.0011806 k( 789) = ( 0.4545455 -0.5709384 -0.1031653), wk = 0.0011806 k( 790) = ( 0.4545455 -0.5709384 0.0386870), wk = 0.0011806 k( 791) = ( 0.4545455 -0.4664562 0.2708088), wk = 0.0011806 k( 792) = ( 0.4545455 -0.4664562 0.4126610), wk = 0.0011806 k( 793) = ( 0.4545455 -0.4664562 0.5545133), wk = 0.0011806 k( 794) = ( 0.4545455 -0.4664562 0.6963655), wk = 0.0011806 k( 795) = ( 0.4545455 -0.4664562 0.8382178), wk = 0.0011806 k( 796) = ( 0.4545455 -0.4664562 0.9800700), wk = 0.0011806 k( 797) = ( 0.4545455 -0.4664562 1.1219222), wk = 0.0011806 k( 798) = ( 0.4545455 -0.4664562 -0.7221568), wk = 0.0011806 k( 799) = ( 0.4545455 -0.4664562 -0.5803046), wk = 0.0011806 k( 800) = ( 0.4545455 -0.4664562 -0.4384524), wk = 0.0011806 k( 801) = ( 0.4545455 -0.4664562 -0.2966001), wk = 0.0011806 k( 802) = ( 0.4545455 -0.4664562 -0.1547479), wk = 0.0011806 k( 803) = ( 0.4545455 -0.4664562 -0.0128957), wk = 0.0011806 k( 804) = ( 0.4545455 -0.4664562 0.1289566), wk = 0.0011806 k( 805) = ( 0.4545455 -0.3619739 0.3610784), wk = 0.0011806 k( 806) = ( 0.4545455 -0.3619739 0.5029307), wk = 0.0011806 k( 807) = ( 0.4545455 -0.3619739 0.6447829), wk = 0.0011806 k( 808) = ( 0.4545455 -0.3619739 0.7866351), wk = 0.0011806 k( 809) = ( 0.4545455 -0.3619739 0.9284874), wk = 0.0011806 k( 810) = ( 0.4545455 -0.3619739 1.0703396), wk = 0.0011806 k( 811) = ( 0.4545455 -0.3619739 1.2121918), wk = 0.0011806 k( 812) = ( 0.4545455 -0.3619739 -0.6318872), wk = 0.0011806 k( 813) = ( 0.4545455 -0.3619739 -0.4900350), wk = 0.0011806 k( 814) = ( 0.4545455 -0.3619739 -0.3481828), wk = 0.0011806 k( 815) = ( 0.4545455 -0.3619739 -0.2063305), wk = 0.0011806 k( 816) = ( 0.4545455 -0.3619739 -0.0644783), wk = 0.0011806 k( 817) = ( 0.4545455 -0.3619739 0.0773739), wk = 0.0011806 k( 818) = ( 0.4545455 -0.3619739 0.2192262), wk = 0.0011806 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0005903 k( 2) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0011806 k( 3) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0011806 k( 4) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0011806 k( 5) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0011806 k( 6) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0011806 k( 7) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0011806 k( 8) = ( 0.0000000 0.0000000 -0.5000000), wk = 0.0005903 k( 9) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0011806 k( 10) = ( 0.0000000 0.0909091 0.0714286), wk = 0.0011806 k( 11) = ( 0.0000000 0.0909091 0.1428571), wk = 0.0011806 k( 12) = ( 0.0000000 0.0909091 0.2142857), wk = 0.0011806 k( 13) = ( 0.0000000 0.0909091 0.2857143), wk = 0.0011806 k( 14) = ( 0.0000000 0.0909091 0.3571429), wk = 0.0011806 k( 15) = ( 0.0000000 0.0909091 0.4285714), wk = 0.0011806 k( 16) = ( 0.0000000 0.0909091 -0.5000000), wk = 0.0011806 k( 17) = ( 0.0000000 0.0909091 -0.4285714), wk = 0.0011806 k( 18) = ( 0.0000000 0.0909091 -0.3571429), wk = 0.0011806 k( 19) = ( 0.0000000 0.0909091 -0.2857143), wk = 0.0011806 k( 20) = ( 0.0000000 0.0909091 -0.2142857), wk = 0.0011806 k( 21) = ( 0.0000000 0.0909091 -0.1428571), wk = 0.0011806 k( 22) = ( 0.0000000 0.0909091 -0.0714286), wk = 0.0011806 k( 23) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0011806 k( 24) = ( 0.0000000 0.1818182 0.0714286), wk = 0.0011806 k( 25) = ( 0.0000000 0.1818182 0.1428571), wk = 0.0011806 k( 26) = ( 0.0000000 0.1818182 0.2142857), wk = 0.0011806 k( 27) = ( 0.0000000 0.1818182 0.2857143), wk = 0.0011806 k( 28) = ( 0.0000000 0.1818182 0.3571429), wk = 0.0011806 k( 29) = ( 0.0000000 0.1818182 0.4285714), wk = 0.0011806 k( 30) = ( 0.0000000 0.1818182 -0.5000000), wk = 0.0011806 k( 31) = ( 0.0000000 0.1818182 -0.4285714), wk = 0.0011806 k( 32) = ( 0.0000000 0.1818182 -0.3571429), wk = 0.0011806 k( 33) = ( 0.0000000 0.1818182 -0.2857143), wk = 0.0011806 k( 34) = ( 0.0000000 0.1818182 -0.2142857), wk = 0.0011806 k( 35) = ( 0.0000000 0.1818182 -0.1428571), wk = 0.0011806 k( 36) = ( 0.0000000 0.1818182 -0.0714286), wk = 0.0011806 k( 37) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0011806 k( 38) = ( 0.0000000 0.2727273 0.0714286), wk = 0.0011806 k( 39) = ( 0.0000000 0.2727273 0.1428571), wk = 0.0011806 k( 40) = ( 0.0000000 0.2727273 0.2142857), wk = 0.0011806 k( 41) = ( 0.0000000 0.2727273 0.2857143), wk = 0.0011806 k( 42) = ( 0.0000000 0.2727273 0.3571429), wk = 0.0011806 k( 43) = ( 0.0000000 0.2727273 0.4285714), wk = 0.0011806 k( 44) = ( 0.0000000 0.2727273 -0.5000000), wk = 0.0011806 k( 45) = ( 0.0000000 0.2727273 -0.4285714), wk = 0.0011806 k( 46) = ( 0.0000000 0.2727273 -0.3571429), wk = 0.0011806 k( 47) = ( 0.0000000 0.2727273 -0.2857143), wk = 0.0011806 k( 48) = ( 0.0000000 0.2727273 -0.2142857), wk = 0.0011806 k( 49) = ( 0.0000000 0.2727273 -0.1428571), wk = 0.0011806 k( 50) = ( 0.0000000 0.2727273 -0.0714286), wk = 0.0011806 k( 51) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0011806 k( 52) = ( 0.0000000 0.3636364 0.0714286), wk = 0.0011806 k( 53) = ( 0.0000000 0.3636364 0.1428571), wk = 0.0011806 k( 54) = ( 0.0000000 0.3636364 0.2142857), wk = 0.0011806 k( 55) = ( 0.0000000 0.3636364 0.2857143), wk = 0.0011806 k( 56) = ( 0.0000000 0.3636364 0.3571429), wk = 0.0011806 k( 57) = ( 0.0000000 0.3636364 0.4285714), wk = 0.0011806 k( 58) = ( 0.0000000 0.3636364 -0.5000000), wk = 0.0011806 k( 59) = ( 0.0000000 0.3636364 -0.4285714), wk = 0.0011806 k( 60) = ( 0.0000000 0.3636364 -0.3571429), wk = 0.0011806 k( 61) = ( 0.0000000 0.3636364 -0.2857143), wk = 0.0011806 k( 62) = ( 0.0000000 0.3636364 -0.2142857), wk = 0.0011806 k( 63) = ( 0.0000000 0.3636364 -0.1428571), wk = 0.0011806 k( 64) = ( 0.0000000 0.3636364 -0.0714286), wk = 0.0011806 k( 65) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0011806 k( 66) = ( 0.0000000 0.4545455 0.0714286), wk = 0.0011806 k( 67) = ( 0.0000000 0.4545455 0.1428571), wk = 0.0011806 k( 68) = ( 0.0000000 0.4545455 0.2142857), wk = 0.0011806 k( 69) = ( 0.0000000 0.4545455 0.2857143), wk = 0.0011806 k( 70) = ( 0.0000000 0.4545455 0.3571429), wk = 0.0011806 k( 71) = ( 0.0000000 0.4545455 0.4285714), wk = 0.0011806 k( 72) = ( 0.0000000 0.4545455 -0.5000000), wk = 0.0011806 k( 73) = ( 0.0000000 0.4545455 -0.4285714), wk = 0.0011806 k( 74) = ( 0.0000000 0.4545455 -0.3571429), wk = 0.0011806 k( 75) = ( 0.0000000 0.4545455 -0.2857143), wk = 0.0011806 k( 76) = ( 0.0000000 0.4545455 -0.2142857), wk = 0.0011806 k( 77) = ( 0.0000000 0.4545455 -0.1428571), wk = 0.0011806 k( 78) = ( 0.0000000 0.4545455 -0.0714286), wk = 0.0011806 k( 79) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0011806 k( 80) = ( 0.0909091 0.0000000 0.0714286), wk = 0.0011806 k( 81) = ( 0.0909091 0.0000000 0.1428571), wk = 0.0011806 k( 82) = ( 0.0909091 0.0000000 0.2142857), wk = 0.0011806 k( 83) = ( 0.0909091 0.0000000 0.2857143), wk = 0.0011806 k( 84) = ( 0.0909091 0.0000000 0.3571429), wk = 0.0011806 k( 85) = ( 0.0909091 0.0000000 0.4285714), wk = 0.0011806 k( 86) = ( 0.0909091 0.0000000 -0.5000000), wk = 0.0011806 k( 87) = ( 0.0909091 0.0000000 -0.4285714), wk = 0.0011806 k( 88) = ( 0.0909091 0.0000000 -0.3571429), wk = 0.0011806 k( 89) = ( 0.0909091 0.0000000 -0.2857143), wk = 0.0011806 k( 90) = ( 0.0909091 0.0000000 -0.2142857), wk = 0.0011806 k( 91) = ( 0.0909091 0.0000000 -0.1428571), wk = 0.0011806 k( 92) = ( 0.0909091 0.0000000 -0.0714286), wk = 0.0011806 k( 93) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0011806 k( 94) = ( 0.0909091 0.0909091 0.0714286), wk = 0.0011806 k( 95) = ( 0.0909091 0.0909091 0.1428571), wk = 0.0011806 k( 96) = ( 0.0909091 0.0909091 0.2142857), wk = 0.0011806 k( 97) = ( 0.0909091 0.0909091 0.2857143), wk = 0.0011806 k( 98) = ( 0.0909091 0.0909091 0.3571429), wk = 0.0011806 k( 99) = ( 0.0909091 0.0909091 0.4285714), wk = 0.0011806 k( 100) = ( 0.0909091 0.0909091 -0.5000000), wk = 0.0011806 k( 101) = ( 0.0909091 0.0909091 -0.4285714), wk = 0.0011806 k( 102) = ( 0.0909091 0.0909091 -0.3571429), wk = 0.0011806 k( 103) = ( 0.0909091 0.0909091 -0.2857143), wk = 0.0011806 k( 104) = ( 0.0909091 0.0909091 -0.2142857), wk = 0.0011806 k( 105) = ( 0.0909091 0.0909091 -0.1428571), wk = 0.0011806 k( 106) = ( 0.0909091 0.0909091 -0.0714286), wk = 0.0011806 k( 107) = ( 0.0909091 0.1818182 0.0000000), wk = 0.0011806 k( 108) = ( 0.0909091 0.1818182 0.0714286), wk = 0.0011806 k( 109) = ( 0.0909091 0.1818182 0.1428571), wk = 0.0011806 k( 110) = ( 0.0909091 0.1818182 0.2142857), wk = 0.0011806 k( 111) = ( 0.0909091 0.1818182 0.2857143), wk = 0.0011806 k( 112) = ( 0.0909091 0.1818182 0.3571429), wk = 0.0011806 k( 113) = ( 0.0909091 0.1818182 0.4285714), wk = 0.0011806 k( 114) = ( 0.0909091 0.1818182 -0.5000000), wk = 0.0011806 k( 115) = ( 0.0909091 0.1818182 -0.4285714), wk = 0.0011806 k( 116) = ( 0.0909091 0.1818182 -0.3571429), wk = 0.0011806 k( 117) = ( 0.0909091 0.1818182 -0.2857143), wk = 0.0011806 k( 118) = ( 0.0909091 0.1818182 -0.2142857), wk = 0.0011806 k( 119) = ( 0.0909091 0.1818182 -0.1428571), wk = 0.0011806 k( 120) = ( 0.0909091 0.1818182 -0.0714286), wk = 0.0011806 k( 121) = ( 0.0909091 0.2727273 0.0000000), wk = 0.0011806 k( 122) = ( 0.0909091 0.2727273 0.0714286), wk = 0.0011806 k( 123) = ( 0.0909091 0.2727273 0.1428571), wk = 0.0011806 k( 124) = ( 0.0909091 0.2727273 0.2142857), wk = 0.0011806 k( 125) = ( 0.0909091 0.2727273 0.2857143), wk = 0.0011806 k( 126) = ( 0.0909091 0.2727273 0.3571429), wk = 0.0011806 k( 127) = ( 0.0909091 0.2727273 0.4285714), wk = 0.0011806 k( 128) = ( 0.0909091 0.2727273 -0.5000000), wk = 0.0011806 k( 129) = ( 0.0909091 0.2727273 -0.4285714), wk = 0.0011806 k( 130) = ( 0.0909091 0.2727273 -0.3571429), wk = 0.0011806 k( 131) = ( 0.0909091 0.2727273 -0.2857143), wk = 0.0011806 k( 132) = ( 0.0909091 0.2727273 -0.2142857), wk = 0.0011806 k( 133) = ( 0.0909091 0.2727273 -0.1428571), wk = 0.0011806 k( 134) = ( 0.0909091 0.2727273 -0.0714286), wk = 0.0011806 k( 135) = ( 0.0909091 0.3636364 0.0000000), wk = 0.0011806 k( 136) = ( 0.0909091 0.3636364 0.0714286), wk = 0.0011806 k( 137) = ( 0.0909091 0.3636364 0.1428571), wk = 0.0011806 k( 138) = ( 0.0909091 0.3636364 0.2142857), wk = 0.0011806 k( 139) = ( 0.0909091 0.3636364 0.2857143), wk = 0.0011806 k( 140) = ( 0.0909091 0.3636364 0.3571429), wk = 0.0011806 k( 141) = ( 0.0909091 0.3636364 0.4285714), wk = 0.0011806 k( 142) = ( 0.0909091 0.3636364 -0.5000000), wk = 0.0011806 k( 143) = ( 0.0909091 0.3636364 -0.4285714), wk = 0.0011806 k( 144) = ( 0.0909091 0.3636364 -0.3571429), wk = 0.0011806 k( 145) = ( 0.0909091 0.3636364 -0.2857143), wk = 0.0011806 k( 146) = ( 0.0909091 0.3636364 -0.2142857), wk = 0.0011806 k( 147) = ( 0.0909091 0.3636364 -0.1428571), wk = 0.0011806 k( 148) = ( 0.0909091 0.3636364 -0.0714286), wk = 0.0011806 k( 149) = ( 0.0909091 0.4545455 0.0000000), wk = 0.0011806 k( 150) = ( 0.0909091 0.4545455 0.0714286), wk = 0.0011806 k( 151) = ( 0.0909091 0.4545455 0.1428571), wk = 0.0011806 k( 152) = ( 0.0909091 0.4545455 0.2142857), wk = 0.0011806 k( 153) = ( 0.0909091 0.4545455 0.2857143), wk = 0.0011806 k( 154) = ( 0.0909091 0.4545455 0.3571429), wk = 0.0011806 k( 155) = ( 0.0909091 0.4545455 0.4285714), wk = 0.0011806 k( 156) = ( 0.0909091 0.4545455 -0.5000000), wk = 0.0011806 k( 157) = ( 0.0909091 0.4545455 -0.4285714), wk = 0.0011806 k( 158) = ( 0.0909091 0.4545455 -0.3571429), wk = 0.0011806 k( 159) = ( 0.0909091 0.4545455 -0.2857143), wk = 0.0011806 k( 160) = ( 0.0909091 0.4545455 -0.2142857), wk = 0.0011806 k( 161) = ( 0.0909091 0.4545455 -0.1428571), wk = 0.0011806 k( 162) = ( 0.0909091 0.4545455 -0.0714286), wk = 0.0011806 k( 163) = ( 0.0909091 -0.4545455 0.0000000), wk = 0.0011806 k( 164) = ( 0.0909091 -0.4545455 0.0714286), wk = 0.0011806 k( 165) = ( 0.0909091 -0.4545455 0.1428571), wk = 0.0011806 k( 166) = ( 0.0909091 -0.4545455 0.2142857), wk = 0.0011806 k( 167) = ( 0.0909091 -0.4545455 0.2857143), wk = 0.0011806 k( 168) = ( 0.0909091 -0.4545455 0.3571429), wk = 0.0011806 k( 169) = ( 0.0909091 -0.4545455 0.4285714), wk = 0.0011806 k( 170) = ( 0.0909091 -0.4545455 -0.5000000), wk = 0.0011806 k( 171) = ( 0.0909091 -0.4545455 -0.4285714), wk = 0.0011806 k( 172) = ( 0.0909091 -0.4545455 -0.3571429), wk = 0.0011806 k( 173) = ( 0.0909091 -0.4545455 -0.2857143), wk = 0.0011806 k( 174) = ( 0.0909091 -0.4545455 -0.2142857), wk = 0.0011806 k( 175) = ( 0.0909091 -0.4545455 -0.1428571), wk = 0.0011806 k( 176) = ( 0.0909091 -0.4545455 -0.0714286), wk = 0.0011806 k( 177) = ( 0.0909091 -0.3636364 0.0000000), wk = 0.0011806 k( 178) = ( 0.0909091 -0.3636364 0.0714286), wk = 0.0011806 k( 179) = ( 0.0909091 -0.3636364 0.1428571), wk = 0.0011806 k( 180) = ( 0.0909091 -0.3636364 0.2142857), wk = 0.0011806 k( 181) = ( 0.0909091 -0.3636364 0.2857143), wk = 0.0011806 k( 182) = ( 0.0909091 -0.3636364 0.3571429), wk = 0.0011806 k( 183) = ( 0.0909091 -0.3636364 0.4285714), wk = 0.0011806 k( 184) = ( 0.0909091 -0.3636364 -0.5000000), wk = 0.0011806 k( 185) = ( 0.0909091 -0.3636364 -0.4285714), wk = 0.0011806 k( 186) = ( 0.0909091 -0.3636364 -0.3571429), wk = 0.0011806 k( 187) = ( 0.0909091 -0.3636364 -0.2857143), wk = 0.0011806 k( 188) = ( 0.0909091 -0.3636364 -0.2142857), wk = 0.0011806 k( 189) = ( 0.0909091 -0.3636364 -0.1428571), wk = 0.0011806 k( 190) = ( 0.0909091 -0.3636364 -0.0714286), wk = 0.0011806 k( 191) = ( 0.0909091 -0.2727273 0.0000000), wk = 0.0011806 k( 192) = ( 0.0909091 -0.2727273 0.0714286), wk = 0.0011806 k( 193) = ( 0.0909091 -0.2727273 0.1428571), wk = 0.0011806 k( 194) = ( 0.0909091 -0.2727273 0.2142857), wk = 0.0011806 k( 195) = ( 0.0909091 -0.2727273 0.2857143), wk = 0.0011806 k( 196) = ( 0.0909091 -0.2727273 0.3571429), wk = 0.0011806 k( 197) = ( 0.0909091 -0.2727273 0.4285714), wk = 0.0011806 k( 198) = ( 0.0909091 -0.2727273 -0.5000000), wk = 0.0011806 k( 199) = ( 0.0909091 -0.2727273 -0.4285714), wk = 0.0011806 k( 200) = ( 0.0909091 -0.2727273 -0.3571429), wk = 0.0011806 k( 201) = ( 0.0909091 -0.2727273 -0.2857143), wk = 0.0011806 k( 202) = ( 0.0909091 -0.2727273 -0.2142857), wk = 0.0011806 k( 203) = ( 0.0909091 -0.2727273 -0.1428571), wk = 0.0011806 k( 204) = ( 0.0909091 -0.2727273 -0.0714286), wk = 0.0011806 k( 205) = ( 0.0909091 -0.1818182 0.0000000), wk = 0.0011806 k( 206) = ( 0.0909091 -0.1818182 0.0714286), wk = 0.0011806 k( 207) = ( 0.0909091 -0.1818182 0.1428571), wk = 0.0011806 k( 208) = ( 0.0909091 -0.1818182 0.2142857), wk = 0.0011806 k( 209) = ( 0.0909091 -0.1818182 0.2857143), wk = 0.0011806 k( 210) = ( 0.0909091 -0.1818182 0.3571429), wk = 0.0011806 k( 211) = ( 0.0909091 -0.1818182 0.4285714), wk = 0.0011806 k( 212) = ( 0.0909091 -0.1818182 -0.5000000), wk = 0.0011806 k( 213) = ( 0.0909091 -0.1818182 -0.4285714), wk = 0.0011806 k( 214) = ( 0.0909091 -0.1818182 -0.3571429), wk = 0.0011806 k( 215) = ( 0.0909091 -0.1818182 -0.2857143), wk = 0.0011806 k( 216) = ( 0.0909091 -0.1818182 -0.2142857), wk = 0.0011806 k( 217) = ( 0.0909091 -0.1818182 -0.1428571), wk = 0.0011806 k( 218) = ( 0.0909091 -0.1818182 -0.0714286), wk = 0.0011806 k( 219) = ( 0.0909091 -0.0909091 0.0000000), wk = 0.0011806 k( 220) = ( 0.0909091 -0.0909091 0.0714286), wk = 0.0023613 k( 221) = ( 0.0909091 -0.0909091 0.1428571), wk = 0.0023613 k( 222) = ( 0.0909091 -0.0909091 0.2142857), wk = 0.0023613 k( 223) = ( 0.0909091 -0.0909091 0.2857143), wk = 0.0023613 k( 224) = ( 0.0909091 -0.0909091 0.3571429), wk = 0.0023613 k( 225) = ( 0.0909091 -0.0909091 0.4285714), wk = 0.0023613 k( 226) = ( 0.0909091 -0.0909091 -0.5000000), wk = 0.0011806 k( 227) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0011806 k( 228) = ( 0.1818182 0.0000000 0.0714286), wk = 0.0011806 k( 229) = ( 0.1818182 0.0000000 0.1428571), wk = 0.0011806 k( 230) = ( 0.1818182 0.0000000 0.2142857), wk = 0.0011806 k( 231) = ( 0.1818182 0.0000000 0.2857143), wk = 0.0011806 k( 232) = ( 0.1818182 0.0000000 0.3571429), wk = 0.0011806 k( 233) = ( 0.1818182 0.0000000 0.4285714), wk = 0.0011806 k( 234) = ( 0.1818182 0.0000000 -0.5000000), wk = 0.0011806 k( 235) = ( 0.1818182 0.0000000 -0.4285714), wk = 0.0011806 k( 236) = ( 0.1818182 0.0000000 -0.3571429), wk = 0.0011806 k( 237) = ( 0.1818182 0.0000000 -0.2857143), wk = 0.0011806 k( 238) = ( 0.1818182 0.0000000 -0.2142857), wk = 0.0011806 k( 239) = ( 0.1818182 0.0000000 -0.1428571), wk = 0.0011806 k( 240) = ( 0.1818182 0.0000000 -0.0714286), wk = 0.0011806 k( 241) = ( 0.1818182 0.0909091 0.0000000), wk = 0.0011806 k( 242) = ( 0.1818182 0.0909091 0.0714286), wk = 0.0011806 k( 243) = ( 0.1818182 0.0909091 0.1428571), wk = 0.0011806 k( 244) = ( 0.1818182 0.0909091 0.2142857), wk = 0.0011806 k( 245) = ( 0.1818182 0.0909091 0.2857143), wk = 0.0011806 k( 246) = ( 0.1818182 0.0909091 0.3571429), wk = 0.0011806 k( 247) = ( 0.1818182 0.0909091 0.4285714), wk = 0.0011806 k( 248) = ( 0.1818182 0.0909091 -0.5000000), wk = 0.0011806 k( 249) = ( 0.1818182 0.0909091 -0.4285714), wk = 0.0011806 k( 250) = ( 0.1818182 0.0909091 -0.3571429), wk = 0.0011806 k( 251) = ( 0.1818182 0.0909091 -0.2857143), wk = 0.0011806 k( 252) = ( 0.1818182 0.0909091 -0.2142857), wk = 0.0011806 k( 253) = ( 0.1818182 0.0909091 -0.1428571), wk = 0.0011806 k( 254) = ( 0.1818182 0.0909091 -0.0714286), wk = 0.0011806 k( 255) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0011806 k( 256) = ( 0.1818182 0.1818182 0.0714286), wk = 0.0011806 k( 257) = ( 0.1818182 0.1818182 0.1428571), wk = 0.0011806 k( 258) = ( 0.1818182 0.1818182 0.2142857), wk = 0.0011806 k( 259) = ( 0.1818182 0.1818182 0.2857143), wk = 0.0011806 k( 260) = ( 0.1818182 0.1818182 0.3571429), wk = 0.0011806 k( 261) = ( 0.1818182 0.1818182 0.4285714), wk = 0.0011806 k( 262) = ( 0.1818182 0.1818182 -0.5000000), wk = 0.0011806 k( 263) = ( 0.1818182 0.1818182 -0.4285714), wk = 0.0011806 k( 264) = ( 0.1818182 0.1818182 -0.3571429), wk = 0.0011806 k( 265) = ( 0.1818182 0.1818182 -0.2857143), wk = 0.0011806 k( 266) = ( 0.1818182 0.1818182 -0.2142857), wk = 0.0011806 k( 267) = ( 0.1818182 0.1818182 -0.1428571), wk = 0.0011806 k( 268) = ( 0.1818182 0.1818182 -0.0714286), wk = 0.0011806 k( 269) = ( 0.1818182 0.2727273 0.0000000), wk = 0.0011806 k( 270) = ( 0.1818182 0.2727273 0.0714286), wk = 0.0011806 k( 271) = ( 0.1818182 0.2727273 0.1428571), wk = 0.0011806 k( 272) = ( 0.1818182 0.2727273 0.2142857), wk = 0.0011806 k( 273) = ( 0.1818182 0.2727273 0.2857143), wk = 0.0011806 k( 274) = ( 0.1818182 0.2727273 0.3571429), wk = 0.0011806 k( 275) = ( 0.1818182 0.2727273 0.4285714), wk = 0.0011806 k( 276) = ( 0.1818182 0.2727273 -0.5000000), wk = 0.0011806 k( 277) = ( 0.1818182 0.2727273 -0.4285714), wk = 0.0011806 k( 278) = ( 0.1818182 0.2727273 -0.3571429), wk = 0.0011806 k( 279) = ( 0.1818182 0.2727273 -0.2857143), wk = 0.0011806 k( 280) = ( 0.1818182 0.2727273 -0.2142857), wk = 0.0011806 k( 281) = ( 0.1818182 0.2727273 -0.1428571), wk = 0.0011806 k( 282) = ( 0.1818182 0.2727273 -0.0714286), wk = 0.0011806 k( 283) = ( 0.1818182 0.3636364 0.0000000), wk = 0.0011806 k( 284) = ( 0.1818182 0.3636364 0.0714286), wk = 0.0011806 k( 285) = ( 0.1818182 0.3636364 0.1428571), wk = 0.0011806 k( 286) = ( 0.1818182 0.3636364 0.2142857), wk = 0.0011806 k( 287) = ( 0.1818182 0.3636364 0.2857143), wk = 0.0011806 k( 288) = ( 0.1818182 0.3636364 0.3571429), wk = 0.0011806 k( 289) = ( 0.1818182 0.3636364 0.4285714), wk = 0.0011806 k( 290) = ( 0.1818182 0.3636364 -0.5000000), wk = 0.0011806 k( 291) = ( 0.1818182 0.3636364 -0.4285714), wk = 0.0011806 k( 292) = ( 0.1818182 0.3636364 -0.3571429), wk = 0.0011806 k( 293) = ( 0.1818182 0.3636364 -0.2857143), wk = 0.0011806 k( 294) = ( 0.1818182 0.3636364 -0.2142857), wk = 0.0011806 k( 295) = ( 0.1818182 0.3636364 -0.1428571), wk = 0.0011806 k( 296) = ( 0.1818182 0.3636364 -0.0714286), wk = 0.0011806 k( 297) = ( 0.1818182 0.4545455 0.0000000), wk = 0.0011806 k( 298) = ( 0.1818182 0.4545455 0.0714286), wk = 0.0011806 k( 299) = ( 0.1818182 0.4545455 0.1428571), wk = 0.0011806 k( 300) = ( 0.1818182 0.4545455 0.2142857), wk = 0.0011806 k( 301) = ( 0.1818182 0.4545455 0.2857143), wk = 0.0011806 k( 302) = ( 0.1818182 0.4545455 0.3571429), wk = 0.0011806 k( 303) = ( 0.1818182 0.4545455 0.4285714), wk = 0.0011806 k( 304) = ( 0.1818182 0.4545455 -0.5000000), wk = 0.0011806 k( 305) = ( 0.1818182 0.4545455 -0.4285714), wk = 0.0011806 k( 306) = ( 0.1818182 0.4545455 -0.3571429), wk = 0.0011806 k( 307) = ( 0.1818182 0.4545455 -0.2857143), wk = 0.0011806 k( 308) = ( 0.1818182 0.4545455 -0.2142857), wk = 0.0011806 k( 309) = ( 0.1818182 0.4545455 -0.1428571), wk = 0.0011806 k( 310) = ( 0.1818182 0.4545455 -0.0714286), wk = 0.0011806 k( 311) = ( 0.1818182 -0.4545455 0.0000000), wk = 0.0011806 k( 312) = ( 0.1818182 -0.4545455 0.0714286), wk = 0.0011806 k( 313) = ( 0.1818182 -0.4545455 0.1428571), wk = 0.0011806 k( 314) = ( 0.1818182 -0.4545455 0.2142857), wk = 0.0011806 k( 315) = ( 0.1818182 -0.4545455 0.2857143), wk = 0.0011806 k( 316) = ( 0.1818182 -0.4545455 0.3571429), wk = 0.0011806 k( 317) = ( 0.1818182 -0.4545455 0.4285714), wk = 0.0011806 k( 318) = ( 0.1818182 -0.4545455 -0.5000000), wk = 0.0011806 k( 319) = ( 0.1818182 -0.4545455 -0.4285714), wk = 0.0011806 k( 320) = ( 0.1818182 -0.4545455 -0.3571429), wk = 0.0011806 k( 321) = ( 0.1818182 -0.4545455 -0.2857143), wk = 0.0011806 k( 322) = ( 0.1818182 -0.4545455 -0.2142857), wk = 0.0011806 k( 323) = ( 0.1818182 -0.4545455 -0.1428571), wk = 0.0011806 k( 324) = ( 0.1818182 -0.4545455 -0.0714286), wk = 0.0011806 k( 325) = ( 0.1818182 -0.3636364 0.0000000), wk = 0.0011806 k( 326) = ( 0.1818182 -0.3636364 0.0714286), wk = 0.0011806 k( 327) = ( 0.1818182 -0.3636364 0.1428571), wk = 0.0011806 k( 328) = ( 0.1818182 -0.3636364 0.2142857), wk = 0.0011806 k( 329) = ( 0.1818182 -0.3636364 0.2857143), wk = 0.0011806 k( 330) = ( 0.1818182 -0.3636364 0.3571429), wk = 0.0011806 k( 331) = ( 0.1818182 -0.3636364 0.4285714), wk = 0.0011806 k( 332) = ( 0.1818182 -0.3636364 -0.5000000), wk = 0.0011806 k( 333) = ( 0.1818182 -0.3636364 -0.4285714), wk = 0.0011806 k( 334) = ( 0.1818182 -0.3636364 -0.3571429), wk = 0.0011806 k( 335) = ( 0.1818182 -0.3636364 -0.2857143), wk = 0.0011806 k( 336) = ( 0.1818182 -0.3636364 -0.2142857), wk = 0.0011806 k( 337) = ( 0.1818182 -0.3636364 -0.1428571), wk = 0.0011806 k( 338) = ( 0.1818182 -0.3636364 -0.0714286), wk = 0.0011806 k( 339) = ( 0.1818182 -0.2727273 0.0000000), wk = 0.0011806 k( 340) = ( 0.1818182 -0.2727273 0.0714286), wk = 0.0011806 k( 341) = ( 0.1818182 -0.2727273 0.1428571), wk = 0.0011806 k( 342) = ( 0.1818182 -0.2727273 0.2142857), wk = 0.0011806 k( 343) = ( 0.1818182 -0.2727273 0.2857143), wk = 0.0011806 k( 344) = ( 0.1818182 -0.2727273 0.3571429), wk = 0.0011806 k( 345) = ( 0.1818182 -0.2727273 0.4285714), wk = 0.0011806 k( 346) = ( 0.1818182 -0.2727273 -0.5000000), wk = 0.0011806 k( 347) = ( 0.1818182 -0.2727273 -0.4285714), wk = 0.0011806 k( 348) = ( 0.1818182 -0.2727273 -0.3571429), wk = 0.0011806 k( 349) = ( 0.1818182 -0.2727273 -0.2857143), wk = 0.0011806 k( 350) = ( 0.1818182 -0.2727273 -0.2142857), wk = 0.0011806 k( 351) = ( 0.1818182 -0.2727273 -0.1428571), wk = 0.0011806 k( 352) = ( 0.1818182 -0.2727273 -0.0714286), wk = 0.0011806 k( 353) = ( 0.1818182 -0.1818182 0.0000000), wk = 0.0011806 k( 354) = ( 0.1818182 -0.1818182 0.0714286), wk = 0.0023613 k( 355) = ( 0.1818182 -0.1818182 0.1428571), wk = 0.0023613 k( 356) = ( 0.1818182 -0.1818182 0.2142857), wk = 0.0023613 k( 357) = ( 0.1818182 -0.1818182 0.2857143), wk = 0.0023613 k( 358) = ( 0.1818182 -0.1818182 0.3571429), wk = 0.0023613 k( 359) = ( 0.1818182 -0.1818182 0.4285714), wk = 0.0023613 k( 360) = ( 0.1818182 -0.1818182 -0.5000000), wk = 0.0011806 k( 361) = ( 0.1818182 -0.0909091 0.0000000), wk = 0.0011806 k( 362) = ( 0.1818182 -0.0909091 0.0714286), wk = 0.0011806 k( 363) = ( 0.1818182 -0.0909091 0.1428571), wk = 0.0011806 k( 364) = ( 0.1818182 -0.0909091 0.2142857), wk = 0.0011806 k( 365) = ( 0.1818182 -0.0909091 0.2857143), wk = 0.0011806 k( 366) = ( 0.1818182 -0.0909091 0.3571429), wk = 0.0011806 k( 367) = ( 0.1818182 -0.0909091 0.4285714), wk = 0.0011806 k( 368) = ( 0.1818182 -0.0909091 -0.5000000), wk = 0.0011806 k( 369) = ( 0.1818182 -0.0909091 -0.4285714), wk = 0.0011806 k( 370) = ( 0.1818182 -0.0909091 -0.3571429), wk = 0.0011806 k( 371) = ( 0.1818182 -0.0909091 -0.2857143), wk = 0.0011806 k( 372) = ( 0.1818182 -0.0909091 -0.2142857), wk = 0.0011806 k( 373) = ( 0.1818182 -0.0909091 -0.1428571), wk = 0.0011806 k( 374) = ( 0.1818182 -0.0909091 -0.0714286), wk = 0.0011806 k( 375) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0011806 k( 376) = ( 0.2727273 0.0000000 0.0714286), wk = 0.0011806 k( 377) = ( 0.2727273 0.0000000 0.1428571), wk = 0.0011806 k( 378) = ( 0.2727273 0.0000000 0.2142857), wk = 0.0011806 k( 379) = ( 0.2727273 0.0000000 0.2857143), wk = 0.0011806 k( 380) = ( 0.2727273 0.0000000 0.3571429), wk = 0.0011806 k( 381) = ( 0.2727273 0.0000000 0.4285714), wk = 0.0011806 k( 382) = ( 0.2727273 0.0000000 -0.5000000), wk = 0.0011806 k( 383) = ( 0.2727273 0.0000000 -0.4285714), wk = 0.0011806 k( 384) = ( 0.2727273 0.0000000 -0.3571429), wk = 0.0011806 k( 385) = ( 0.2727273 0.0000000 -0.2857143), wk = 0.0011806 k( 386) = ( 0.2727273 0.0000000 -0.2142857), wk = 0.0011806 k( 387) = ( 0.2727273 0.0000000 -0.1428571), wk = 0.0011806 k( 388) = ( 0.2727273 0.0000000 -0.0714286), wk = 0.0011806 k( 389) = ( 0.2727273 0.0909091 0.0000000), wk = 0.0011806 k( 390) = ( 0.2727273 0.0909091 0.0714286), wk = 0.0011806 k( 391) = ( 0.2727273 0.0909091 0.1428571), wk = 0.0011806 k( 392) = ( 0.2727273 0.0909091 0.2142857), wk = 0.0011806 k( 393) = ( 0.2727273 0.0909091 0.2857143), wk = 0.0011806 k( 394) = ( 0.2727273 0.0909091 0.3571429), wk = 0.0011806 k( 395) = ( 0.2727273 0.0909091 0.4285714), wk = 0.0011806 k( 396) = ( 0.2727273 0.0909091 -0.5000000), wk = 0.0011806 k( 397) = ( 0.2727273 0.0909091 -0.4285714), wk = 0.0011806 k( 398) = ( 0.2727273 0.0909091 -0.3571429), wk = 0.0011806 k( 399) = ( 0.2727273 0.0909091 -0.2857143), wk = 0.0011806 k( 400) = ( 0.2727273 0.0909091 -0.2142857), wk = 0.0011806 k( 401) = ( 0.2727273 0.0909091 -0.1428571), wk = 0.0011806 k( 402) = ( 0.2727273 0.0909091 -0.0714286), wk = 0.0011806 k( 403) = ( 0.2727273 0.1818182 0.0000000), wk = 0.0011806 k( 404) = ( 0.2727273 0.1818182 0.0714286), wk = 0.0011806 k( 405) = ( 0.2727273 0.1818182 0.1428571), wk = 0.0011806 k( 406) = ( 0.2727273 0.1818182 0.2142857), wk = 0.0011806 k( 407) = ( 0.2727273 0.1818182 0.2857143), wk = 0.0011806 k( 408) = ( 0.2727273 0.1818182 0.3571429), wk = 0.0011806 k( 409) = ( 0.2727273 0.1818182 0.4285714), wk = 0.0011806 k( 410) = ( 0.2727273 0.1818182 -0.5000000), wk = 0.0011806 k( 411) = ( 0.2727273 0.1818182 -0.4285714), wk = 0.0011806 k( 412) = ( 0.2727273 0.1818182 -0.3571429), wk = 0.0011806 k( 413) = ( 0.2727273 0.1818182 -0.2857143), wk = 0.0011806 k( 414) = ( 0.2727273 0.1818182 -0.2142857), wk = 0.0011806 k( 415) = ( 0.2727273 0.1818182 -0.1428571), wk = 0.0011806 k( 416) = ( 0.2727273 0.1818182 -0.0714286), wk = 0.0011806 k( 417) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0011806 k( 418) = ( 0.2727273 0.2727273 0.0714286), wk = 0.0011806 k( 419) = ( 0.2727273 0.2727273 0.1428571), wk = 0.0011806 k( 420) = ( 0.2727273 0.2727273 0.2142857), wk = 0.0011806 k( 421) = ( 0.2727273 0.2727273 0.2857143), wk = 0.0011806 k( 422) = ( 0.2727273 0.2727273 0.3571429), wk = 0.0011806 k( 423) = ( 0.2727273 0.2727273 0.4285714), wk = 0.0011806 k( 424) = ( 0.2727273 0.2727273 -0.5000000), wk = 0.0011806 k( 425) = ( 0.2727273 0.2727273 -0.4285714), wk = 0.0011806 k( 426) = ( 0.2727273 0.2727273 -0.3571429), wk = 0.0011806 k( 427) = ( 0.2727273 0.2727273 -0.2857143), wk = 0.0011806 k( 428) = ( 0.2727273 0.2727273 -0.2142857), wk = 0.0011806 k( 429) = ( 0.2727273 0.2727273 -0.1428571), wk = 0.0011806 k( 430) = ( 0.2727273 0.2727273 -0.0714286), wk = 0.0011806 k( 431) = ( 0.2727273 0.3636364 0.0000000), wk = 0.0011806 k( 432) = ( 0.2727273 0.3636364 0.0714286), wk = 0.0011806 k( 433) = ( 0.2727273 0.3636364 0.1428571), wk = 0.0011806 k( 434) = ( 0.2727273 0.3636364 0.2142857), wk = 0.0011806 k( 435) = ( 0.2727273 0.3636364 0.2857143), wk = 0.0011806 k( 436) = ( 0.2727273 0.3636364 0.3571429), wk = 0.0011806 k( 437) = ( 0.2727273 0.3636364 0.4285714), wk = 0.0011806 k( 438) = ( 0.2727273 0.3636364 -0.5000000), wk = 0.0011806 k( 439) = ( 0.2727273 0.3636364 -0.4285714), wk = 0.0011806 k( 440) = ( 0.2727273 0.3636364 -0.3571429), wk = 0.0011806 k( 441) = ( 0.2727273 0.3636364 -0.2857143), wk = 0.0011806 k( 442) = ( 0.2727273 0.3636364 -0.2142857), wk = 0.0011806 k( 443) = ( 0.2727273 0.3636364 -0.1428571), wk = 0.0011806 k( 444) = ( 0.2727273 0.3636364 -0.0714286), wk = 0.0011806 k( 445) = ( 0.2727273 0.4545455 0.0000000), wk = 0.0011806 k( 446) = ( 0.2727273 0.4545455 0.0714286), wk = 0.0011806 k( 447) = ( 0.2727273 0.4545455 0.1428571), wk = 0.0011806 k( 448) = ( 0.2727273 0.4545455 0.2142857), wk = 0.0011806 k( 449) = ( 0.2727273 0.4545455 0.2857143), wk = 0.0011806 k( 450) = ( 0.2727273 0.4545455 0.3571429), wk = 0.0011806 k( 451) = ( 0.2727273 0.4545455 0.4285714), wk = 0.0011806 k( 452) = ( 0.2727273 0.4545455 -0.5000000), wk = 0.0011806 k( 453) = ( 0.2727273 0.4545455 -0.4285714), wk = 0.0011806 k( 454) = ( 0.2727273 0.4545455 -0.3571429), wk = 0.0011806 k( 455) = ( 0.2727273 0.4545455 -0.2857143), wk = 0.0011806 k( 456) = ( 0.2727273 0.4545455 -0.2142857), wk = 0.0011806 k( 457) = ( 0.2727273 0.4545455 -0.1428571), wk = 0.0011806 k( 458) = ( 0.2727273 0.4545455 -0.0714286), wk = 0.0011806 k( 459) = ( 0.2727273 -0.4545455 0.0000000), wk = 0.0011806 k( 460) = ( 0.2727273 -0.4545455 0.0714286), wk = 0.0011806 k( 461) = ( 0.2727273 -0.4545455 0.1428571), wk = 0.0011806 k( 462) = ( 0.2727273 -0.4545455 0.2142857), wk = 0.0011806 k( 463) = ( 0.2727273 -0.4545455 0.2857143), wk = 0.0011806 k( 464) = ( 0.2727273 -0.4545455 0.3571429), wk = 0.0011806 k( 465) = ( 0.2727273 -0.4545455 0.4285714), wk = 0.0011806 k( 466) = ( 0.2727273 -0.4545455 -0.5000000), wk = 0.0011806 k( 467) = ( 0.2727273 -0.4545455 -0.4285714), wk = 0.0011806 k( 468) = ( 0.2727273 -0.4545455 -0.3571429), wk = 0.0011806 k( 469) = ( 0.2727273 -0.4545455 -0.2857143), wk = 0.0011806 k( 470) = ( 0.2727273 -0.4545455 -0.2142857), wk = 0.0011806 k( 471) = ( 0.2727273 -0.4545455 -0.1428571), wk = 0.0011806 k( 472) = ( 0.2727273 -0.4545455 -0.0714286), wk = 0.0011806 k( 473) = ( 0.2727273 -0.3636364 0.0000000), wk = 0.0011806 k( 474) = ( 0.2727273 -0.3636364 0.0714286), wk = 0.0011806 k( 475) = ( 0.2727273 -0.3636364 0.1428571), wk = 0.0011806 k( 476) = ( 0.2727273 -0.3636364 0.2142857), wk = 0.0011806 k( 477) = ( 0.2727273 -0.3636364 0.2857143), wk = 0.0011806 k( 478) = ( 0.2727273 -0.3636364 0.3571429), wk = 0.0011806 k( 479) = ( 0.2727273 -0.3636364 0.4285714), wk = 0.0011806 k( 480) = ( 0.2727273 -0.3636364 -0.5000000), wk = 0.0011806 k( 481) = ( 0.2727273 -0.3636364 -0.4285714), wk = 0.0011806 k( 482) = ( 0.2727273 -0.3636364 -0.3571429), wk = 0.0011806 k( 483) = ( 0.2727273 -0.3636364 -0.2857143), wk = 0.0011806 k( 484) = ( 0.2727273 -0.3636364 -0.2142857), wk = 0.0011806 k( 485) = ( 0.2727273 -0.3636364 -0.1428571), wk = 0.0011806 k( 486) = ( 0.2727273 -0.3636364 -0.0714286), wk = 0.0011806 k( 487) = ( 0.2727273 -0.2727273 0.0000000), wk = 0.0011806 k( 488) = ( 0.2727273 -0.2727273 0.0714286), wk = 0.0023613 k( 489) = ( 0.2727273 -0.2727273 0.1428571), wk = 0.0023613 k( 490) = ( 0.2727273 -0.2727273 0.2142857), wk = 0.0023613 k( 491) = ( 0.2727273 -0.2727273 0.2857143), wk = 0.0023613 k( 492) = ( 0.2727273 -0.2727273 0.3571429), wk = 0.0023613 k( 493) = ( 0.2727273 -0.2727273 0.4285714), wk = 0.0023613 k( 494) = ( 0.2727273 -0.2727273 -0.5000000), wk = 0.0011806 k( 495) = ( 0.2727273 -0.1818182 0.0000000), wk = 0.0011806 k( 496) = ( 0.2727273 -0.1818182 0.0714286), wk = 0.0011806 k( 497) = ( 0.2727273 -0.1818182 0.1428571), wk = 0.0011806 k( 498) = ( 0.2727273 -0.1818182 0.2142857), wk = 0.0011806 k( 499) = ( 0.2727273 -0.1818182 0.2857143), wk = 0.0011806 k( 500) = ( 0.2727273 -0.1818182 0.3571429), wk = 0.0011806 k( 501) = ( 0.2727273 -0.1818182 0.4285714), wk = 0.0011806 k( 502) = ( 0.2727273 -0.1818182 -0.5000000), wk = 0.0011806 k( 503) = ( 0.2727273 -0.1818182 -0.4285714), wk = 0.0011806 k( 504) = ( 0.2727273 -0.1818182 -0.3571429), wk = 0.0011806 k( 505) = ( 0.2727273 -0.1818182 -0.2857143), wk = 0.0011806 k( 506) = ( 0.2727273 -0.1818182 -0.2142857), wk = 0.0011806 k( 507) = ( 0.2727273 -0.1818182 -0.1428571), wk = 0.0011806 k( 508) = ( 0.2727273 -0.1818182 -0.0714286), wk = 0.0011806 k( 509) = ( 0.2727273 -0.0909091 0.0000000), wk = 0.0011806 k( 510) = ( 0.2727273 -0.0909091 0.0714286), wk = 0.0011806 k( 511) = ( 0.2727273 -0.0909091 0.1428571), wk = 0.0011806 k( 512) = ( 0.2727273 -0.0909091 0.2142857), wk = 0.0011806 k( 513) = ( 0.2727273 -0.0909091 0.2857143), wk = 0.0011806 k( 514) = ( 0.2727273 -0.0909091 0.3571429), wk = 0.0011806 k( 515) = ( 0.2727273 -0.0909091 0.4285714), wk = 0.0011806 k( 516) = ( 0.2727273 -0.0909091 -0.5000000), wk = 0.0011806 k( 517) = ( 0.2727273 -0.0909091 -0.4285714), wk = 0.0011806 k( 518) = ( 0.2727273 -0.0909091 -0.3571429), wk = 0.0011806 k( 519) = ( 0.2727273 -0.0909091 -0.2857143), wk = 0.0011806 k( 520) = ( 0.2727273 -0.0909091 -0.2142857), wk = 0.0011806 k( 521) = ( 0.2727273 -0.0909091 -0.1428571), wk = 0.0011806 k( 522) = ( 0.2727273 -0.0909091 -0.0714286), wk = 0.0011806 k( 523) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0011806 k( 524) = ( 0.3636364 0.0000000 0.0714286), wk = 0.0011806 k( 525) = ( 0.3636364 0.0000000 0.1428571), wk = 0.0011806 k( 526) = ( 0.3636364 0.0000000 0.2142857), wk = 0.0011806 k( 527) = ( 0.3636364 0.0000000 0.2857143), wk = 0.0011806 k( 528) = ( 0.3636364 0.0000000 0.3571429), wk = 0.0011806 k( 529) = ( 0.3636364 0.0000000 0.4285714), wk = 0.0011806 k( 530) = ( 0.3636364 0.0000000 -0.5000000), wk = 0.0011806 k( 531) = ( 0.3636364 0.0000000 -0.4285714), wk = 0.0011806 k( 532) = ( 0.3636364 0.0000000 -0.3571429), wk = 0.0011806 k( 533) = ( 0.3636364 0.0000000 -0.2857143), wk = 0.0011806 k( 534) = ( 0.3636364 0.0000000 -0.2142857), wk = 0.0011806 k( 535) = ( 0.3636364 0.0000000 -0.1428571), wk = 0.0011806 k( 536) = ( 0.3636364 0.0000000 -0.0714286), wk = 0.0011806 k( 537) = ( 0.3636364 0.0909091 0.0000000), wk = 0.0011806 k( 538) = ( 0.3636364 0.0909091 0.0714286), wk = 0.0011806 k( 539) = ( 0.3636364 0.0909091 0.1428571), wk = 0.0011806 k( 540) = ( 0.3636364 0.0909091 0.2142857), wk = 0.0011806 k( 541) = ( 0.3636364 0.0909091 0.2857143), wk = 0.0011806 k( 542) = ( 0.3636364 0.0909091 0.3571429), wk = 0.0011806 k( 543) = ( 0.3636364 0.0909091 0.4285714), wk = 0.0011806 k( 544) = ( 0.3636364 0.0909091 -0.5000000), wk = 0.0011806 k( 545) = ( 0.3636364 0.0909091 -0.4285714), wk = 0.0011806 k( 546) = ( 0.3636364 0.0909091 -0.3571429), wk = 0.0011806 k( 547) = ( 0.3636364 0.0909091 -0.2857143), wk = 0.0011806 k( 548) = ( 0.3636364 0.0909091 -0.2142857), wk = 0.0011806 k( 549) = ( 0.3636364 0.0909091 -0.1428571), wk = 0.0011806 k( 550) = ( 0.3636364 0.0909091 -0.0714286), wk = 0.0011806 k( 551) = ( 0.3636364 0.1818182 0.0000000), wk = 0.0011806 k( 552) = ( 0.3636364 0.1818182 0.0714286), wk = 0.0011806 k( 553) = ( 0.3636364 0.1818182 0.1428571), wk = 0.0011806 k( 554) = ( 0.3636364 0.1818182 0.2142857), wk = 0.0011806 k( 555) = ( 0.3636364 0.1818182 0.2857143), wk = 0.0011806 k( 556) = ( 0.3636364 0.1818182 0.3571429), wk = 0.0011806 k( 557) = ( 0.3636364 0.1818182 0.4285714), wk = 0.0011806 k( 558) = ( 0.3636364 0.1818182 -0.5000000), wk = 0.0011806 k( 559) = ( 0.3636364 0.1818182 -0.4285714), wk = 0.0011806 k( 560) = ( 0.3636364 0.1818182 -0.3571429), wk = 0.0011806 k( 561) = ( 0.3636364 0.1818182 -0.2857143), wk = 0.0011806 k( 562) = ( 0.3636364 0.1818182 -0.2142857), wk = 0.0011806 k( 563) = ( 0.3636364 0.1818182 -0.1428571), wk = 0.0011806 k( 564) = ( 0.3636364 0.1818182 -0.0714286), wk = 0.0011806 k( 565) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0011806 k( 566) = ( 0.3636364 0.2727273 0.0714286), wk = 0.0011806 k( 567) = ( 0.3636364 0.2727273 0.1428571), wk = 0.0011806 k( 568) = ( 0.3636364 0.2727273 0.2142857), wk = 0.0011806 k( 569) = ( 0.3636364 0.2727273 0.2857143), wk = 0.0011806 k( 570) = ( 0.3636364 0.2727273 0.3571429), wk = 0.0011806 k( 571) = ( 0.3636364 0.2727273 0.4285714), wk = 0.0011806 k( 572) = ( 0.3636364 0.2727273 -0.5000000), wk = 0.0011806 k( 573) = ( 0.3636364 0.2727273 -0.4285714), wk = 0.0011806 k( 574) = ( 0.3636364 0.2727273 -0.3571429), wk = 0.0011806 k( 575) = ( 0.3636364 0.2727273 -0.2857143), wk = 0.0011806 k( 576) = ( 0.3636364 0.2727273 -0.2142857), wk = 0.0011806 k( 577) = ( 0.3636364 0.2727273 -0.1428571), wk = 0.0011806 k( 578) = ( 0.3636364 0.2727273 -0.0714286), wk = 0.0011806 k( 579) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0011806 k( 580) = ( 0.3636364 0.3636364 0.0714286), wk = 0.0011806 k( 581) = ( 0.3636364 0.3636364 0.1428571), wk = 0.0011806 k( 582) = ( 0.3636364 0.3636364 0.2142857), wk = 0.0011806 k( 583) = ( 0.3636364 0.3636364 0.2857143), wk = 0.0011806 k( 584) = ( 0.3636364 0.3636364 0.3571429), wk = 0.0011806 k( 585) = ( 0.3636364 0.3636364 0.4285714), wk = 0.0011806 k( 586) = ( 0.3636364 0.3636364 -0.5000000), wk = 0.0011806 k( 587) = ( 0.3636364 0.3636364 -0.4285714), wk = 0.0011806 k( 588) = ( 0.3636364 0.3636364 -0.3571429), wk = 0.0011806 k( 589) = ( 0.3636364 0.3636364 -0.2857143), wk = 0.0011806 k( 590) = ( 0.3636364 0.3636364 -0.2142857), wk = 0.0011806 k( 591) = ( 0.3636364 0.3636364 -0.1428571), wk = 0.0011806 k( 592) = ( 0.3636364 0.3636364 -0.0714286), wk = 0.0011806 k( 593) = ( 0.3636364 0.4545455 0.0000000), wk = 0.0011806 k( 594) = ( 0.3636364 0.4545455 0.0714286), wk = 0.0011806 k( 595) = ( 0.3636364 0.4545455 0.1428571), wk = 0.0011806 k( 596) = ( 0.3636364 0.4545455 0.2142857), wk = 0.0011806 k( 597) = ( 0.3636364 0.4545455 0.2857143), wk = 0.0011806 k( 598) = ( 0.3636364 0.4545455 0.3571429), wk = 0.0011806 k( 599) = ( 0.3636364 0.4545455 0.4285714), wk = 0.0011806 k( 600) = ( 0.3636364 0.4545455 -0.5000000), wk = 0.0011806 k( 601) = ( 0.3636364 0.4545455 -0.4285714), wk = 0.0011806 k( 602) = ( 0.3636364 0.4545455 -0.3571429), wk = 0.0011806 k( 603) = ( 0.3636364 0.4545455 -0.2857143), wk = 0.0011806 k( 604) = ( 0.3636364 0.4545455 -0.2142857), wk = 0.0011806 k( 605) = ( 0.3636364 0.4545455 -0.1428571), wk = 0.0011806 k( 606) = ( 0.3636364 0.4545455 -0.0714286), wk = 0.0011806 k( 607) = ( 0.3636364 -0.4545455 0.0000000), wk = 0.0011806 k( 608) = ( 0.3636364 -0.4545455 0.0714286), wk = 0.0011806 k( 609) = ( 0.3636364 -0.4545455 0.1428571), wk = 0.0011806 k( 610) = ( 0.3636364 -0.4545455 0.2142857), wk = 0.0011806 k( 611) = ( 0.3636364 -0.4545455 0.2857143), wk = 0.0011806 k( 612) = ( 0.3636364 -0.4545455 0.3571429), wk = 0.0011806 k( 613) = ( 0.3636364 -0.4545455 0.4285714), wk = 0.0011806 k( 614) = ( 0.3636364 -0.4545455 -0.5000000), wk = 0.0011806 k( 615) = ( 0.3636364 -0.4545455 -0.4285714), wk = 0.0011806 k( 616) = ( 0.3636364 -0.4545455 -0.3571429), wk = 0.0011806 k( 617) = ( 0.3636364 -0.4545455 -0.2857143), wk = 0.0011806 k( 618) = ( 0.3636364 -0.4545455 -0.2142857), wk = 0.0011806 k( 619) = ( 0.3636364 -0.4545455 -0.1428571), wk = 0.0011806 k( 620) = ( 0.3636364 -0.4545455 -0.0714286), wk = 0.0011806 k( 621) = ( 0.3636364 -0.3636364 0.0000000), wk = 0.0011806 k( 622) = ( 0.3636364 -0.3636364 0.0714286), wk = 0.0023613 k( 623) = ( 0.3636364 -0.3636364 0.1428571), wk = 0.0023613 k( 624) = ( 0.3636364 -0.3636364 0.2142857), wk = 0.0023613 k( 625) = ( 0.3636364 -0.3636364 0.2857143), wk = 0.0023613 k( 626) = ( 0.3636364 -0.3636364 0.3571429), wk = 0.0023613 k( 627) = ( 0.3636364 -0.3636364 0.4285714), wk = 0.0023613 k( 628) = ( 0.3636364 -0.3636364 -0.5000000), wk = 0.0011806 k( 629) = ( 0.3636364 -0.2727273 0.0000000), wk = 0.0011806 k( 630) = ( 0.3636364 -0.2727273 0.0714286), wk = 0.0011806 k( 631) = ( 0.3636364 -0.2727273 0.1428571), wk = 0.0011806 k( 632) = ( 0.3636364 -0.2727273 0.2142857), wk = 0.0011806 k( 633) = ( 0.3636364 -0.2727273 0.2857143), wk = 0.0011806 k( 634) = ( 0.3636364 -0.2727273 0.3571429), wk = 0.0011806 k( 635) = ( 0.3636364 -0.2727273 0.4285714), wk = 0.0011806 k( 636) = ( 0.3636364 -0.2727273 -0.5000000), wk = 0.0011806 k( 637) = ( 0.3636364 -0.2727273 -0.4285714), wk = 0.0011806 k( 638) = ( 0.3636364 -0.2727273 -0.3571429), wk = 0.0011806 k( 639) = ( 0.3636364 -0.2727273 -0.2857143), wk = 0.0011806 k( 640) = ( 0.3636364 -0.2727273 -0.2142857), wk = 0.0011806 k( 641) = ( 0.3636364 -0.2727273 -0.1428571), wk = 0.0011806 k( 642) = ( 0.3636364 -0.2727273 -0.0714286), wk = 0.0011806 k( 643) = ( 0.3636364 -0.1818182 0.0000000), wk = 0.0011806 k( 644) = ( 0.3636364 -0.1818182 0.0714286), wk = 0.0011806 k( 645) = ( 0.3636364 -0.1818182 0.1428571), wk = 0.0011806 k( 646) = ( 0.3636364 -0.1818182 0.2142857), wk = 0.0011806 k( 647) = ( 0.3636364 -0.1818182 0.2857143), wk = 0.0011806 k( 648) = ( 0.3636364 -0.1818182 0.3571429), wk = 0.0011806 k( 649) = ( 0.3636364 -0.1818182 0.4285714), wk = 0.0011806 k( 650) = ( 0.3636364 -0.1818182 -0.5000000), wk = 0.0011806 k( 651) = ( 0.3636364 -0.1818182 -0.4285714), wk = 0.0011806 k( 652) = ( 0.3636364 -0.1818182 -0.3571429), wk = 0.0011806 k( 653) = ( 0.3636364 -0.1818182 -0.2857143), wk = 0.0011806 k( 654) = ( 0.3636364 -0.1818182 -0.2142857), wk = 0.0011806 k( 655) = ( 0.3636364 -0.1818182 -0.1428571), wk = 0.0011806 k( 656) = ( 0.3636364 -0.1818182 -0.0714286), wk = 0.0011806 k( 657) = ( 0.3636364 -0.0909091 0.0000000), wk = 0.0011806 k( 658) = ( 0.3636364 -0.0909091 0.0714286), wk = 0.0011806 k( 659) = ( 0.3636364 -0.0909091 0.1428571), wk = 0.0011806 k( 660) = ( 0.3636364 -0.0909091 0.2142857), wk = 0.0011806 k( 661) = ( 0.3636364 -0.0909091 0.2857143), wk = 0.0011806 k( 662) = ( 0.3636364 -0.0909091 0.3571429), wk = 0.0011806 k( 663) = ( 0.3636364 -0.0909091 0.4285714), wk = 0.0011806 k( 664) = ( 0.3636364 -0.0909091 -0.5000000), wk = 0.0011806 k( 665) = ( 0.3636364 -0.0909091 -0.4285714), wk = 0.0011806 k( 666) = ( 0.3636364 -0.0909091 -0.3571429), wk = 0.0011806 k( 667) = ( 0.3636364 -0.0909091 -0.2857143), wk = 0.0011806 k( 668) = ( 0.3636364 -0.0909091 -0.2142857), wk = 0.0011806 k( 669) = ( 0.3636364 -0.0909091 -0.1428571), wk = 0.0011806 k( 670) = ( 0.3636364 -0.0909091 -0.0714286), wk = 0.0011806 k( 671) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0011806 k( 672) = ( 0.4545455 0.0000000 0.0714286), wk = 0.0011806 k( 673) = ( 0.4545455 0.0000000 0.1428571), wk = 0.0011806 k( 674) = ( 0.4545455 0.0000000 0.2142857), wk = 0.0011806 k( 675) = ( 0.4545455 0.0000000 0.2857143), wk = 0.0011806 k( 676) = ( 0.4545455 0.0000000 0.3571429), wk = 0.0011806 k( 677) = ( 0.4545455 0.0000000 0.4285714), wk = 0.0011806 k( 678) = ( 0.4545455 0.0000000 -0.5000000), wk = 0.0011806 k( 679) = ( 0.4545455 0.0000000 -0.4285714), wk = 0.0011806 k( 680) = ( 0.4545455 0.0000000 -0.3571429), wk = 0.0011806 k( 681) = ( 0.4545455 0.0000000 -0.2857143), wk = 0.0011806 k( 682) = ( 0.4545455 0.0000000 -0.2142857), wk = 0.0011806 k( 683) = ( 0.4545455 0.0000000 -0.1428571), wk = 0.0011806 k( 684) = ( 0.4545455 0.0000000 -0.0714286), wk = 0.0011806 k( 685) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0011806 k( 686) = ( 0.4545455 0.0909091 0.0714286), wk = 0.0011806 k( 687) = ( 0.4545455 0.0909091 0.1428571), wk = 0.0011806 k( 688) = ( 0.4545455 0.0909091 0.2142857), wk = 0.0011806 k( 689) = ( 0.4545455 0.0909091 0.2857143), wk = 0.0011806 k( 690) = ( 0.4545455 0.0909091 0.3571429), wk = 0.0011806 k( 691) = ( 0.4545455 0.0909091 0.4285714), wk = 0.0011806 k( 692) = ( 0.4545455 0.0909091 -0.5000000), wk = 0.0011806 k( 693) = ( 0.4545455 0.0909091 -0.4285714), wk = 0.0011806 k( 694) = ( 0.4545455 0.0909091 -0.3571429), wk = 0.0011806 k( 695) = ( 0.4545455 0.0909091 -0.2857143), wk = 0.0011806 k( 696) = ( 0.4545455 0.0909091 -0.2142857), wk = 0.0011806 k( 697) = ( 0.4545455 0.0909091 -0.1428571), wk = 0.0011806 k( 698) = ( 0.4545455 0.0909091 -0.0714286), wk = 0.0011806 k( 699) = ( 0.4545455 0.1818182 0.0000000), wk = 0.0011806 k( 700) = ( 0.4545455 0.1818182 0.0714286), wk = 0.0011806 k( 701) = ( 0.4545455 0.1818182 0.1428571), wk = 0.0011806 k( 702) = ( 0.4545455 0.1818182 0.2142857), wk = 0.0011806 k( 703) = ( 0.4545455 0.1818182 0.2857143), wk = 0.0011806 k( 704) = ( 0.4545455 0.1818182 0.3571429), wk = 0.0011806 k( 705) = ( 0.4545455 0.1818182 0.4285714), wk = 0.0011806 k( 706) = ( 0.4545455 0.1818182 -0.5000000), wk = 0.0011806 k( 707) = ( 0.4545455 0.1818182 -0.4285714), wk = 0.0011806 k( 708) = ( 0.4545455 0.1818182 -0.3571429), wk = 0.0011806 k( 709) = ( 0.4545455 0.1818182 -0.2857143), wk = 0.0011806 k( 710) = ( 0.4545455 0.1818182 -0.2142857), wk = 0.0011806 k( 711) = ( 0.4545455 0.1818182 -0.1428571), wk = 0.0011806 k( 712) = ( 0.4545455 0.1818182 -0.0714286), wk = 0.0011806 k( 713) = ( 0.4545455 0.2727273 0.0000000), wk = 0.0011806 k( 714) = ( 0.4545455 0.2727273 0.0714286), wk = 0.0011806 k( 715) = ( 0.4545455 0.2727273 0.1428571), wk = 0.0011806 k( 716) = ( 0.4545455 0.2727273 0.2142857), wk = 0.0011806 k( 717) = ( 0.4545455 0.2727273 0.2857143), wk = 0.0011806 k( 718) = ( 0.4545455 0.2727273 0.3571429), wk = 0.0011806 k( 719) = ( 0.4545455 0.2727273 0.4285714), wk = 0.0011806 k( 720) = ( 0.4545455 0.2727273 -0.5000000), wk = 0.0011806 k( 721) = ( 0.4545455 0.2727273 -0.4285714), wk = 0.0011806 k( 722) = ( 0.4545455 0.2727273 -0.3571429), wk = 0.0011806 k( 723) = ( 0.4545455 0.2727273 -0.2857143), wk = 0.0011806 k( 724) = ( 0.4545455 0.2727273 -0.2142857), wk = 0.0011806 k( 725) = ( 0.4545455 0.2727273 -0.1428571), wk = 0.0011806 k( 726) = ( 0.4545455 0.2727273 -0.0714286), wk = 0.0011806 k( 727) = ( 0.4545455 0.3636364 0.0000000), wk = 0.0011806 k( 728) = ( 0.4545455 0.3636364 0.0714286), wk = 0.0011806 k( 729) = ( 0.4545455 0.3636364 0.1428571), wk = 0.0011806 k( 730) = ( 0.4545455 0.3636364 0.2142857), wk = 0.0011806 k( 731) = ( 0.4545455 0.3636364 0.2857143), wk = 0.0011806 k( 732) = ( 0.4545455 0.3636364 0.3571429), wk = 0.0011806 k( 733) = ( 0.4545455 0.3636364 0.4285714), wk = 0.0011806 k( 734) = ( 0.4545455 0.3636364 -0.5000000), wk = 0.0011806 k( 735) = ( 0.4545455 0.3636364 -0.4285714), wk = 0.0011806 k( 736) = ( 0.4545455 0.3636364 -0.3571429), wk = 0.0011806 k( 737) = ( 0.4545455 0.3636364 -0.2857143), wk = 0.0011806 k( 738) = ( 0.4545455 0.3636364 -0.2142857), wk = 0.0011806 k( 739) = ( 0.4545455 0.3636364 -0.1428571), wk = 0.0011806 k( 740) = ( 0.4545455 0.3636364 -0.0714286), wk = 0.0011806 k( 741) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0011806 k( 742) = ( 0.4545455 0.4545455 0.0714286), wk = 0.0011806 k( 743) = ( 0.4545455 0.4545455 0.1428571), wk = 0.0011806 k( 744) = ( 0.4545455 0.4545455 0.2142857), wk = 0.0011806 k( 745) = ( 0.4545455 0.4545455 0.2857143), wk = 0.0011806 k( 746) = ( 0.4545455 0.4545455 0.3571429), wk = 0.0011806 k( 747) = ( 0.4545455 0.4545455 0.4285714), wk = 0.0011806 k( 748) = ( 0.4545455 0.4545455 -0.5000000), wk = 0.0011806 k( 749) = ( 0.4545455 0.4545455 -0.4285714), wk = 0.0011806 k( 750) = ( 0.4545455 0.4545455 -0.3571429), wk = 0.0011806 k( 751) = ( 0.4545455 0.4545455 -0.2857143), wk = 0.0011806 k( 752) = ( 0.4545455 0.4545455 -0.2142857), wk = 0.0011806 k( 753) = ( 0.4545455 0.4545455 -0.1428571), wk = 0.0011806 k( 754) = ( 0.4545455 0.4545455 -0.0714286), wk = 0.0011806 k( 755) = ( 0.4545455 -0.4545455 0.0000000), wk = 0.0011806 k( 756) = ( 0.4545455 -0.4545455 0.0714286), wk = 0.0023613 k( 757) = ( 0.4545455 -0.4545455 0.1428571), wk = 0.0023613 k( 758) = ( 0.4545455 -0.4545455 0.2142857), wk = 0.0023613 k( 759) = ( 0.4545455 -0.4545455 0.2857143), wk = 0.0023613 k( 760) = ( 0.4545455 -0.4545455 0.3571429), wk = 0.0023613 k( 761) = ( 0.4545455 -0.4545455 0.4285714), wk = 0.0023613 k( 762) = ( 0.4545455 -0.4545455 -0.5000000), wk = 0.0011806 k( 763) = ( 0.4545455 -0.3636364 0.0000000), wk = 0.0011806 k( 764) = ( 0.4545455 -0.3636364 0.0714286), wk = 0.0011806 k( 765) = ( 0.4545455 -0.3636364 0.1428571), wk = 0.0011806 k( 766) = ( 0.4545455 -0.3636364 0.2142857), wk = 0.0011806 k( 767) = ( 0.4545455 -0.3636364 0.2857143), wk = 0.0011806 k( 768) = ( 0.4545455 -0.3636364 0.3571429), wk = 0.0011806 k( 769) = ( 0.4545455 -0.3636364 0.4285714), wk = 0.0011806 k( 770) = ( 0.4545455 -0.3636364 -0.5000000), wk = 0.0011806 k( 771) = ( 0.4545455 -0.3636364 -0.4285714), wk = 0.0011806 k( 772) = ( 0.4545455 -0.3636364 -0.3571429), wk = 0.0011806 k( 773) = ( 0.4545455 -0.3636364 -0.2857143), wk = 0.0011806 k( 774) = ( 0.4545455 -0.3636364 -0.2142857), wk = 0.0011806 k( 775) = ( 0.4545455 -0.3636364 -0.1428571), wk = 0.0011806 k( 776) = ( 0.4545455 -0.3636364 -0.0714286), wk = 0.0011806 k( 777) = ( 0.4545455 -0.2727273 0.0000000), wk = 0.0011806 k( 778) = ( 0.4545455 -0.2727273 0.0714286), wk = 0.0011806 k( 779) = ( 0.4545455 -0.2727273 0.1428571), wk = 0.0011806 k( 780) = ( 0.4545455 -0.2727273 0.2142857), wk = 0.0011806 k( 781) = ( 0.4545455 -0.2727273 0.2857143), wk = 0.0011806 k( 782) = ( 0.4545455 -0.2727273 0.3571429), wk = 0.0011806 k( 783) = ( 0.4545455 -0.2727273 0.4285714), wk = 0.0011806 k( 784) = ( 0.4545455 -0.2727273 -0.5000000), wk = 0.0011806 k( 785) = ( 0.4545455 -0.2727273 -0.4285714), wk = 0.0011806 k( 786) = ( 0.4545455 -0.2727273 -0.3571429), wk = 0.0011806 k( 787) = ( 0.4545455 -0.2727273 -0.2857143), wk = 0.0011806 k( 788) = ( 0.4545455 -0.2727273 -0.2142857), wk = 0.0011806 k( 789) = ( 0.4545455 -0.2727273 -0.1428571), wk = 0.0011806 k( 790) = ( 0.4545455 -0.2727273 -0.0714286), wk = 0.0011806 k( 791) = ( 0.4545455 -0.1818182 0.0000000), wk = 0.0011806 k( 792) = ( 0.4545455 -0.1818182 0.0714286), wk = 0.0011806 k( 793) = ( 0.4545455 -0.1818182 0.1428571), wk = 0.0011806 k( 794) = ( 0.4545455 -0.1818182 0.2142857), wk = 0.0011806 k( 795) = ( 0.4545455 -0.1818182 0.2857143), wk = 0.0011806 k( 796) = ( 0.4545455 -0.1818182 0.3571429), wk = 0.0011806 k( 797) = ( 0.4545455 -0.1818182 0.4285714), wk = 0.0011806 k( 798) = ( 0.4545455 -0.1818182 -0.5000000), wk = 0.0011806 k( 799) = ( 0.4545455 -0.1818182 -0.4285714), wk = 0.0011806 k( 800) = ( 0.4545455 -0.1818182 -0.3571429), wk = 0.0011806 k( 801) = ( 0.4545455 -0.1818182 -0.2857143), wk = 0.0011806 k( 802) = ( 0.4545455 -0.1818182 -0.2142857), wk = 0.0011806 k( 803) = ( 0.4545455 -0.1818182 -0.1428571), wk = 0.0011806 k( 804) = ( 0.4545455 -0.1818182 -0.0714286), wk = 0.0011806 k( 805) = ( 0.4545455 -0.0909091 0.0000000), wk = 0.0011806 k( 806) = ( 0.4545455 -0.0909091 0.0714286), wk = 0.0011806 k( 807) = ( 0.4545455 -0.0909091 0.1428571), wk = 0.0011806 k( 808) = ( 0.4545455 -0.0909091 0.2142857), wk = 0.0011806 k( 809) = ( 0.4545455 -0.0909091 0.2857143), wk = 0.0011806 k( 810) = ( 0.4545455 -0.0909091 0.3571429), wk = 0.0011806 k( 811) = ( 0.4545455 -0.0909091 0.4285714), wk = 0.0011806 k( 812) = ( 0.4545455 -0.0909091 -0.5000000), wk = 0.0011806 k( 813) = ( 0.4545455 -0.0909091 -0.4285714), wk = 0.0011806 k( 814) = ( 0.4545455 -0.0909091 -0.3571429), wk = 0.0011806 k( 815) = ( 0.4545455 -0.0909091 -0.2857143), wk = 0.0011806 k( 816) = ( 0.4545455 -0.0909091 -0.2142857), wk = 0.0011806 k( 817) = ( 0.4545455 -0.0909091 -0.1428571), wk = 0.0011806 k( 818) = ( 0.4545455 -0.0909091 -0.0714286), wk = 0.0011806 Dense grid: 12293 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 4815 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 46, 22) NL pseudopotentials 0.01 Mb ( 23, 42) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 385) G-vector shells 0.00 Mb ( 189) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 46, 88) Each subspace H/S matrix 0.12 Mb ( 88, 88) Each matrix 0.03 Mb ( 42, 2, 22) Arrays for rho mixing 0.39 Mb ( 3200, 8) Check: negative/imaginary core charge= -0.000013 0.000000 Initial potential from superposition of free atoms starting charge 13.99994, renormalised to 14.00000 Starting wfc are 24 randomized atomic wfcs total cpu time spent up to now is 7.6 secs per-process dynamical memory: 34.9 Mb Self-consistent Calculation iteration # 1 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 2.6 total cpu time spent up to now is 28.4 secs total energy = -53.12479669 Ry Harris-Foulkes estimate = -53.19426589 Ry estimated scf accuracy < 0.22699661 Ry iteration # 2 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.62E-03, avg # of iterations = 1.0 total cpu time spent up to now is 41.6 secs total energy = -53.12671153 Ry Harris-Foulkes estimate = -53.13981884 Ry estimated scf accuracy < 0.04935553 Ry iteration # 3 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.53E-04, avg # of iterations = 1.3 total cpu time spent up to now is 55.0 secs total energy = -53.12818244 Ry Harris-Foulkes estimate = -53.12978345 Ry estimated scf accuracy < 0.00913731 Ry iteration # 4 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 6.53E-05, avg # of iterations = 2.5 total cpu time spent up to now is 70.5 secs total energy = -53.12879166 Ry Harris-Foulkes estimate = -53.12891002 Ry estimated scf accuracy < 0.00038372 Ry iteration # 5 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.74E-06, avg # of iterations = 3.5 total cpu time spent up to now is 91.2 secs total energy = -53.12884317 Ry Harris-Foulkes estimate = -53.12887875 Ry estimated scf accuracy < 0.00010001 Ry iteration # 6 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 7.14E-07, avg # of iterations = 2.0 total cpu time spent up to now is 105.9 secs total energy = -53.12886079 Ry Harris-Foulkes estimate = -53.12886214 Ry estimated scf accuracy < 0.00000312 Ry iteration # 7 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.23E-08, avg # of iterations = 2.0 total cpu time spent up to now is 122.7 secs total energy = -53.12886168 Ry Harris-Foulkes estimate = -53.12886174 Ry estimated scf accuracy < 0.00000032 Ry iteration # 8 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.26E-09, avg # of iterations = 1.0 total cpu time spent up to now is 135.8 secs total energy = -53.12886164 Ry Harris-Foulkes estimate = -53.12886169 Ry estimated scf accuracy < 0.00000011 Ry iteration # 9 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 7.92E-10, avg # of iterations = 2.0 total cpu time spent up to now is 152.6 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 583 PWs) bands (ev): -12.3041 -12.3041 -1.3241 -1.3241 -1.0518 -1.0518 5.8251 5.8251 5.8270 5.8270 10.0618 10.0618 10.0713 10.0713 14.9561 14.9561 19.6356 19.6356 22.5019 22.5019 23.1012 23.1012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.1419 ( 585 PWs) bands (ev): -12.1424 -12.1424 -1.2909 -1.2902 -1.0578 -1.0573 5.4182 5.4191 5.4935 5.4952 9.8076 9.8079 9.8472 9.8476 15.6764 15.6766 20.0895 20.0908 22.4226 22.4282 23.5714 23.5728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.2837 ( 591 PWs) bands (ev): -11.6659 -11.6659 -1.2167 -1.2153 -1.1137 -1.1128 4.5425 4.5439 4.6632 4.6665 9.1749 9.1759 9.3665 9.3675 17.4687 17.4695 21.1272 21.1283 22.0436 22.0505 23.4131 23.4177 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.4256 ( 609 PWs) bands (ev): -10.9030 -10.9030 -1.3000 -1.2989 -1.1790 -1.1767 3.6557 3.6604 3.6783 3.6799 8.4167 8.4183 8.9900 8.9913 19.7494 19.7515 21.2052 21.2087 21.2732 21.2801 22.9321 22.9423 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.5674 ( 597 PWs) bands (ev): -9.9123 -9.9121 -1.6359 -1.6349 -1.2962 -1.2930 2.7475 2.7532 3.0098 3.0111 7.6802 7.6824 9.0087 9.0103 19.7216 19.7249 20.0512 20.0548 22.2064 22.2066 23.1676 23.1775 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.7093 ( 595 PWs) bands (ev): -8.8082 -8.8080 -2.0197 -2.0190 -1.6647 -1.6615 2.1203 2.1258 2.5317 2.5326 7.0074 7.0098 9.4853 9.4870 18.5523 18.5558 18.6559 18.6591 22.5829 22.5912 24.3479 24.3493 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.8511 ( 613 PWs) bands (ev): -7.8231 -7.8229 -2.3115 -2.3112 -2.1897 -2.1878 1.8094 1.8128 2.2309 2.2313 6.4774 6.4791 10.1859 10.1871 17.3561 17.3581 18.0849 18.0877 21.6294 21.6345 25.8846 25.8862 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000-0.9930 ( 610 PWs) bands (ev): -7.3886 -7.3886 -2.4700 -2.4700 -2.4186 -2.4186 1.7260 1.7260 2.1268 2.1268 6.2671 6.2671 10.5594 10.5594 16.7763 16.7763 18.0440 18.0440 21.1513 21.1513 26.4707 26.4708 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045 0.0903 ( 581 PWs) bands (ev): -12.1482 -12.1482 -2.0480 -2.0478 -0.3030 -0.3030 5.1519 5.1525 5.8252 5.8252 9.6993 9.7001 10.2353 10.2353 15.4813 15.4814 19.9656 19.9668 22.4422 22.4467 23.5431 23.5438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045 0.2321 ( 590 PWs) bands (ev): -11.7871 -11.7871 -2.0009 -2.0006 -0.3679 -0.3678 4.1806 4.1817 5.5265 5.5272 8.9696 8.9710 10.1270 10.1280 16.7161 16.7166 20.8869 20.8885 22.1768 22.1821 23.7084 23.7119 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045 0.3740 ( 607 PWs) bands (ev): -11.1303 -11.1302 -1.9979 -1.9975 -0.5480 -0.5474 3.3067 3.3084 4.7018 4.7031 8.2940 8.2962 9.7222 9.7238 18.6648 18.6663 21.2904 21.2965 21.8358 21.8396 22.9943 23.0036 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045 0.5158 ( 609 PWs) bands (ev): -10.2257 -10.2256 -2.1661 -2.1655 -0.8379 -0.8365 2.7412 2.7441 3.7038 3.7051 7.7967 7.7995 9.3833 9.3852 20.1883 20.1910 20.4816 20.4856 21.1170 21.1194 23.3664 23.3767 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045 0.6577 ( 602 PWs) bands (ev): -9.1672 -9.1670 -2.5382 -2.5372 -1.1551 -1.1530 2.3894 2.3945 2.8243 2.8264 7.3385 7.3414 9.4671 9.4687 18.8517 18.8549 19.3202 19.3243 22.8037 22.8119 23.4895 23.4955 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045 0.7995 ( 612 PWs) bands (ev): -8.1379 -8.1377 -2.9692 -2.9677 -1.4580 -1.4557 1.8637 1.8674 2.4945 2.4969 6.8633 6.8659 9.9802 9.9818 17.5504 17.5529 18.6238 18.6274 22.0730 22.0800 25.1346 25.1367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045 0.9414 ( 616 PWs) bands (ev): -7.4823 -7.4821 -3.2603 -3.2585 -1.6568 -1.6544 1.4957 1.4971 2.4421 2.4444 6.5645 6.5663 10.4729 10.4743 16.6794 16.6810 18.5209 18.5228 21.3359 21.3393 26.1412 26.1428 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045-0.9027 ( 614 PWs) bands (ev): -7.5976 -7.5974 -3.2079 -3.2061 -1.6217 -1.6193 1.5571 1.5590 2.4483 2.4506 6.6157 6.6177 10.3780 10.3795 16.8351 16.8369 18.5183 18.5209 21.4745 21.4789 25.9672 25.9692 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045-0.7608 ( 609 PWs) bands (ev): -8.3996 -8.3994 -2.8567 -2.8554 -1.3799 -1.3776 2.0172 2.0217 2.5340 2.5366 6.9856 6.9883 9.8170 9.8185 17.8879 17.8906 18.7416 18.7453 22.3297 22.3375 24.7106 24.7126 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045-0.6190 ( 603 PWs) bands (ev): -9.4630 -9.4628 -2.4228 -2.4220 -1.0687 -1.0668 2.4845 2.4888 3.0297 3.0312 7.4688 7.4717 9.3923 9.3939 19.2275 19.2309 19.6168 19.6210 22.5460 22.5513 23.3370 23.3465 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045-0.4771 ( 608 PWs) bands (ev): -10.4927 -10.4926 -2.0976 -2.0971 -0.7530 -0.7518 2.8646 2.8671 3.9768 3.9782 7.9196 7.9223 9.4461 9.4480 20.1499 20.1528 20.7540 20.7608 20.9761 20.9806 23.2876 23.2979 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045-0.3353 ( 601 PWs) bands (ev): -11.3366 -11.3366 -1.9870 -1.9867 -0.4854 -0.4850 3.5178 3.5194 4.9573 4.9584 8.4606 8.4626 9.8428 9.8443 18.0897 18.0908 21.3690 21.3741 21.9725 21.9767 23.0674 23.0745 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045-0.1934 ( 589 PWs) bands (ev): -11.9162 -11.9162 -2.0141 -2.0139 -0.3412 -0.3411 4.4515 4.4525 5.6757 5.6762 9.1744 9.1756 10.1985 10.1992 16.2894 16.2898 20.5984 20.6000 22.2619 22.2673 23.8939 23.8977 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1045-0.0516 ( 581 PWs) bands (ev): -12.1921 -12.1921 -2.0558 -2.0557 -0.2974 -0.2974 5.3773 5.3778 5.7756 5.7758 9.8685 9.8692 10.1821 10.1825 15.3224 15.3225 19.8304 19.8313 22.4901 22.4943 23.4117 23.4123 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090 0.1805 ( 595 PWs) bands (ev): -11.6911 -11.6911 -2.8190 -2.8188 0.3832 0.3834 3.7299 3.7309 5.8340 5.8340 8.9687 8.9697 10.6934 10.6934 16.4498 16.4500 20.7583 20.7585 22.3056 22.3075 23.6505 23.6505 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090 0.3224 ( 604 PWs) bands (ev): -11.1547 -11.1547 -2.8209 -2.8205 0.0108 0.0112 2.9153 2.9168 5.5758 5.5764 8.2638 8.2655 10.6820 10.6829 17.6190 17.6199 20.9621 20.9672 22.4935 22.4975 23.1272 23.1350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090 0.4642 ( 610 PWs) bands (ev): -10.3660 -10.3659 -2.9775 -2.9770 -0.4881 -0.4872 2.5357 2.5379 4.7382 4.7394 7.8707 7.8733 10.3544 10.3559 19.3702 19.3724 20.3917 20.3974 21.3124 21.3142 23.6781 23.6877 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090 0.6061 ( 602 PWs) bands (ev): -9.4110 -9.4109 -3.3341 -3.3334 -0.8736 -0.8722 2.4712 2.4741 3.6506 3.6523 7.7170 7.7203 10.0303 10.0318 19.1564 19.1596 20.0444 20.0489 21.5970 21.6005 23.6161 23.6260 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090 0.7479 ( 609 PWs) bands (ev): -8.4501 -8.4499 -3.7470 -3.7459 -1.0442 -1.0422 2.3057 2.3103 2.7792 2.7834 7.5562 7.5596 10.0267 10.0283 17.8339 17.8365 19.4481 19.4526 22.5605 22.5688 23.8666 23.8700 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090 0.8898 ( 616 PWs) bands (ev): -7.7465 -7.7462 -4.0349 -4.0334 -1.0102 -1.0078 1.4957 1.4977 2.7817 2.7851 7.3463 7.3495 10.3072 10.3096 16.7854 16.7874 19.4115 19.4152 21.8339 21.8406 25.1683 25.1709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090 1.0317 ( 614 PWs) bands (ev): -7.5968 -7.5964 -4.0931 -4.0916 -0.9736 -0.9711 1.2821 1.2835 2.8011 2.8045 7.2930 7.2961 10.4006 10.4031 16.5506 16.5523 19.4707 19.4731 21.6094 21.6147 25.4793 25.4814 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090-0.8124 ( 610 PWs) bands (ev): -8.0791 -8.0789 -3.9015 -3.9002 -1.0487 -1.0465 1.9238 1.9270 2.7503 2.7540 7.4551 7.4584 10.1430 10.1449 17.2906 17.2929 19.3758 19.3802 22.2454 22.2534 24.5192 24.5217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090-0.6706 ( 605 PWs) bands (ev): -8.9617 -8.9615 -3.5272 -3.5263 -0.9791 -0.9774 2.4748 2.4783 3.1595 3.1619 7.6570 7.6604 9.9774 9.9787 18.5561 18.5590 19.6986 19.7031 22.3681 22.3735 23.4750 23.4837 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090-0.5287 ( 607 PWs) bands (ev): -9.9450 -9.9449 -3.1198 -3.1193 -0.6875 -0.6863 2.4798 2.4823 4.2576 4.2590 7.7848 7.7878 10.1853 10.1868 19.7298 19.7329 20.3919 20.3976 20.8283 20.8310 23.7376 23.7475 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090-0.3869 ( 609 PWs) bands (ev): -10.8236 -10.8235 -2.8659 -2.8655 -0.2156 -0.2150 2.6916 2.6935 5.2459 5.2468 8.0446 8.0467 10.5549 10.5562 18.3793 18.3806 20.7536 20.7592 22.0336 22.0360 23.3998 23.4088 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090-0.2450 ( 600 PWs) bands (ev): -11.4821 -11.4821 -2.8091 -2.8089 0.2422 0.2425 3.3085 3.3097 5.8093 5.8095 8.6158 8.6170 10.7434 10.7438 16.8817 16.8821 20.9897 20.9925 22.4163 22.4185 23.3409 23.3431 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090-0.1032 ( 591 PWs) bands (ev): -11.8606 -11.8606 -2.8367 -2.8366 0.4881 0.4882 4.3057 4.3065 5.6436 5.6440 9.4303 9.4314 10.4986 10.4993 16.1515 16.1518 20.3530 20.3542 22.3614 22.3658 23.8605 23.8635 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2090 0.0387 ( 591 PWs) bands (ev): -11.9318 -11.9318 -2.8468 -2.8466 0.5288 0.5289 4.7926 4.7933 5.3231 5.3238 9.8095 9.8117 10.2356 10.2377 16.0496 16.0499 20.1249 20.1263 22.4406 22.4460 23.8542 23.8582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134 0.2708 ( 607 PWs) bands (ev): -10.9717 -10.9716 -3.5775 -3.5772 0.4099 0.4101 2.6020 2.6029 5.8675 5.8675 8.5132 8.5142 11.3165 11.3165 17.2347 17.2349 20.4581 20.4621 22.6583 22.6584 23.3089 23.3136 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134 0.4127 ( 608 PWs) bands (ev): -10.3205 -10.3204 -3.7627 -3.7624 -0.3004 -0.3000 2.3044 2.3058 5.6100 5.6107 8.1679 8.1696 11.3320 11.3329 18.2324 18.2334 19.9717 19.9761 21.8020 21.8041 23.9669 23.9739 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134 0.5545 ( 611 PWs) bands (ev): -9.5159 -9.5158 -4.1188 -4.1183 -0.7643 -0.7634 2.3122 2.3142 4.7226 4.7239 8.1341 8.1367 10.9778 10.9790 19.1222 19.1259 19.9757 19.9778 20.8126 20.8156 23.9176 23.9255 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134 0.6964 ( 614 PWs) bands (ev): -8.7205 -8.7203 -4.4737 -4.4729 -0.9071 -0.9057 2.5090 2.5116 3.5300 3.5321 8.2387 8.2420 10.5401 10.5412 18.1829 18.1860 20.1976 20.2037 21.7310 21.7345 23.4562 23.4641 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134 0.8382 ( 612 PWs) bands (ev): -8.1506 -8.1503 -4.6606 -4.6595 -0.6752 -0.6732 2.0603 2.0632 2.9483 2.9527 8.2958 8.2997 10.3032 10.3055 17.2177 17.2200 20.1999 20.2058 22.3645 22.3727 23.7713 23.7743 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134 0.9801 ( 615 PWs) bands (ev): -7.9369 -7.9365 -4.7008 -4.6995 -0.2768 -0.2744 1.2480 1.2491 3.0416 3.0455 8.2851 8.2891 10.2738 10.2770 16.7576 16.7595 20.4091 20.4132 22.0023 22.0091 24.5539 24.5554 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134 1.1219 ( 611 PWs) bands (ev): -8.0843 -8.0840 -4.6754 -4.6743 -0.5948 -0.5928 1.8615 1.8640 2.9696 2.9738 8.2956 8.2995 10.2886 10.2911 17.0831 17.0853 20.2425 20.2482 22.2853 22.2935 23.9717 23.9745 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134-0.7222 ( 611 PWs) bands (ev): -8.5941 -8.5939 -4.5223 -4.5215 -0.8943 -0.8928 2.5355 2.5383 3.3162 3.3189 8.2567 8.2602 10.4764 10.4776 17.9922 17.9951 20.1593 20.1654 22.0075 22.0115 23.3823 23.3897 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134-0.5803 ( 610 PWs) bands (ev): -9.3645 -9.3644 -4.1900 -4.1895 -0.8152 -0.8142 2.3402 2.3423 4.5189 4.5203 8.1489 8.1517 10.8950 10.8962 18.9856 18.9893 20.2625 20.2655 20.6774 20.6794 23.8514 23.8594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134-0.4385 ( 610 PWs) bands (ev): -10.1820 -10.1819 -3.8176 -3.8173 -0.4073 -0.4068 2.2851 2.2866 5.4860 5.4868 8.1426 8.1445 11.2880 11.2890 18.4874 18.4886 19.8648 19.8693 21.6161 21.6184 24.0052 24.0124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134-0.2966 ( 608 PWs) bands (ev): -10.8695 -10.8695 -3.5969 -3.5966 0.2732 0.2734 2.5212 2.5222 5.8806 5.8807 8.4227 8.4237 11.3556 11.3558 17.3544 17.3547 20.3878 20.3919 22.5342 22.5348 23.4757 23.4809 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134-0.1547 ( 597 PWs) bands (ev): -11.3256 -11.3255 -3.5424 -3.5422 0.9470 0.9471 3.1558 3.1565 5.4703 5.4706 9.0608 9.0621 10.9381 10.9389 17.0383 17.0389 20.5780 20.5811 22.5006 22.5038 23.1395 23.1445 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134-0.0129 ( 595 PWs) bands (ev): -11.5008 -11.5008 -3.5442 -3.5439 1.2238 1.2239 4.2218 4.2230 4.4445 4.4457 9.8667 9.8737 10.2018 10.2083 17.1653 17.1661 20.3468 20.3500 22.2392 22.2436 23.3130 23.3187 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3134 0.1290 ( 594 PWs) bands (ev): -11.3792 -11.3791 -3.5416 -3.5414 1.0327 1.0328 3.3242 3.3249 5.3160 5.3164 9.2078 9.2094 10.8147 10.8158 17.0539 17.0546 20.5466 20.5496 22.4009 22.4041 23.1932 23.1982 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179 0.3611 ( 614 PWs) bands (ev): -10.0939 -10.0938 -4.4159 -4.4156 -0.2564 -0.2563 2.1905 2.1909 5.9172 5.9172 8.6068 8.6075 11.9261 11.9262 17.7969 17.7970 19.4312 19.4344 21.7523 21.7523 24.1090 24.1130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179 0.5029 ( 605 PWs) bands (ev): -9.4871 -9.4870 -4.7587 -4.7585 -0.7213 -0.7209 2.1066 2.1076 5.6139 5.6147 8.5837 8.5852 11.8707 11.8714 18.5802 18.5816 18.9865 18.9895 21.1856 21.1889 24.0663 24.0705 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179 0.6448 ( 609 PWs) bands (ev): -8.9520 -8.9518 -5.0104 -5.0099 -0.8433 -0.8424 2.3257 2.3274 4.6349 4.6362 8.7274 8.7299 11.3792 11.3802 18.3685 18.3717 20.0716 20.0733 20.7013 20.7077 23.7550 23.7604 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179 0.7866 ( 609 PWs) bands (ev): -8.6590 -8.6587 -5.0272 -5.0264 -0.5483 -0.5469 2.6108 2.6135 3.3731 3.3763 8.9542 8.9576 10.7331 10.7343 17.7828 17.7855 20.6105 20.6182 21.6010 21.6037 23.3453 23.3508 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179 0.9285 ( 614 PWs) bands (ev): -8.5760 -8.5757 -4.9526 -4.9517 0.1995 0.2012 1.7618 1.7639 3.1380 3.1423 9.1925 9.1975 10.2296 10.2325 17.3668 17.3690 20.7593 20.7666 22.5559 22.5616 23.3138 23.3161 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179 1.0703 ( 613 PWs) bands (ev): -8.5787 -8.5785 -4.9575 -4.9566 0.1243 0.1260 1.8617 1.8640 3.1287 3.1331 9.1755 9.1804 10.2601 10.2628 17.3890 17.3912 20.7477 20.7551 22.5209 22.5263 23.2888 23.2915 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179 1.2122 ( 609 PWs) bands (ev): -8.6749 -8.6746 -5.0330 -5.0323 -0.5958 -0.5945 2.6041 2.6065 3.4764 3.4792 8.9314 8.9347 10.7905 10.7916 17.8343 17.8370 20.6026 20.6102 21.4706 21.4732 23.3766 23.3822 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179-0.6319 ( 611 PWs) bands (ev): -8.9921 -8.9920 -4.9972 -4.9968 -0.8473 -0.8464 2.2963 2.2979 4.7432 4.7445 8.7101 8.7125 11.4347 11.4358 18.4190 18.4221 19.9332 19.9349 20.7305 20.7367 23.7919 23.7972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179-0.4900 ( 604 PWs) bands (ev): -9.5425 -9.5424 -4.7274 -4.7271 -0.6935 -0.6931 2.1011 2.1021 5.6739 5.6746 8.5771 8.5785 11.8972 11.8979 18.4940 18.4952 19.0123 19.0154 21.2403 21.2433 24.0823 24.0864 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179-0.3482 ( 614 PWs) bands (ev): -10.1456 -10.1456 -4.3890 -4.3887 -0.1955 -0.1954 2.2121 2.2125 5.9024 5.9025 8.6216 8.6222 11.9038 11.9039 17.7617 17.7618 19.4761 19.4793 21.7941 21.7944 24.0948 24.0988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179-0.2063 ( 607 PWs) bands (ev): -10.6231 -10.6230 -4.1890 -4.1887 0.6621 0.6625 2.5481 2.5486 5.2874 5.2880 8.9628 8.9644 11.3846 11.3854 17.8202 17.8212 19.9304 19.9344 22.0618 22.0642 23.6114 23.6180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179-0.0645 ( 604 PWs) bands (ev): -10.8757 -10.8756 -4.1296 -4.1293 1.5133 1.5136 3.1230 3.1238 4.1244 4.1254 9.6052 9.6094 10.5676 10.5704 18.3320 18.3337 20.1214 20.1269 21.9400 21.9435 23.0718 23.0816 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179 0.0774 ( 606 PWs) bands (ev): -10.8634 -10.8633 -4.1316 -4.1313 1.4611 1.4614 3.0505 3.0513 4.2372 4.2381 9.5412 9.5449 10.6416 10.6440 18.2914 18.2931 20.1187 20.1241 21.9575 21.9609 23.0965 23.1061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.4179 0.2192 ( 610 PWs) bands (ev): -10.5880 -10.5879 -4.2000 -4.1997 0.5736 0.5740 2.5112 2.5117 5.3736 5.3741 8.9177 8.9191 11.4494 11.4501 17.7854 17.7863 19.8957 19.8997 22.0542 22.0565 23.6761 23.6824 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224 0.4513 ( 606 PWs) bands (ev): -9.3544 -9.3544 -5.1596 -5.1595 -0.7279 -0.7279 2.0170 2.0172 5.9548 5.9548 8.9150 8.9152 12.3139 12.3139 18.1508 18.1516 18.6213 18.6233 21.2094 21.2094 24.0848 24.0861 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224 0.5932 ( 609 PWs) bands (ev): -9.1639 -9.1638 -5.2526 -5.2524 -0.7788 -0.7783 2.1091 2.1100 5.5654 5.5662 8.9733 8.9745 12.1025 12.1032 18.3698 18.3721 18.7894 18.7911 21.0128 21.0168 24.0019 24.0046 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224 0.7351 ( 608 PWs) bands (ev): -9.2063 -9.2061 -5.0919 -5.0914 -0.4460 -0.4450 2.4735 2.4749 4.4841 4.4853 9.1411 9.1435 11.4436 11.4444 18.2553 18.2579 19.9053 19.9073 20.9041 20.9099 23.8209 23.8257 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224 0.8769 ( 610 PWs) bands (ev): -9.3251 -9.3249 -4.9147 -4.9141 0.3924 0.3937 2.5901 2.5933 3.3129 3.3173 9.4646 9.4687 10.6520 10.6524 18.1315 18.1341 20.7543 20.7625 21.3663 21.3678 23.5241 23.5313 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224 1.0188 ( 609 PWs) bands (ev): -9.3643 -9.3642 -4.8684 -4.8677 1.0336 1.0346 2.0170 2.0195 3.2044 3.2089 9.7099 9.7169 10.2671 10.2702 18.0877 18.0902 20.8063 20.8143 21.9003 21.9029 23.3058 23.3155 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224 1.1606 ( 610 PWs) bands (ev): -9.2852 -9.2850 -4.9671 -4.9665 0.0323 0.0335 2.6624 2.6644 3.6558 3.6583 9.3266 9.3299 10.9347 10.9352 18.1738 18.1765 20.6094 20.6154 21.0395 21.0408 23.6469 23.6531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224 1.3025 ( 609 PWs) bands (ev): -9.1712 -9.1711 -5.1666 -5.1662 -0.6224 -0.6216 2.3278 2.3291 4.9337 4.9348 9.0651 9.0671 11.7157 11.7166 18.2990 18.3015 19.4594 19.4612 20.9217 20.9273 23.9009 23.9051 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224-0.5416 ( 605 PWs) bands (ev): -9.2040 -9.2039 -5.2540 -5.2539 -0.7971 -0.7967 2.0329 2.0335 5.8036 5.8041 8.9402 8.9411 12.2453 12.2458 18.3734 18.3749 18.5501 18.5514 21.0841 21.0867 24.0395 24.0413 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224-0.3998 ( 611 PWs) bands (ev): -9.4748 -9.4747 -5.0638 -5.0637 -0.6297 -0.6294 2.0758 2.0760 5.8779 5.8781 8.9227 8.9232 12.2413 12.2416 18.1107 18.1116 18.7422 18.7445 21.2669 21.2683 24.1011 24.1032 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224-0.2579 ( 611 PWs) bands (ev): -9.8365 -9.8364 -4.7773 -4.7769 -0.0733 -0.0726 2.4055 2.4064 5.1096 5.1105 9.0681 9.0699 11.6886 11.6894 18.3727 18.3744 19.2499 19.2532 21.3539 21.3577 24.0286 24.0338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224-0.1161 ( 613 PWs) bands (ev): -10.1018 -10.1017 -4.6106 -4.6102 0.9230 0.9240 2.7155 2.7170 3.8673 3.8692 9.4567 9.4603 10.8669 10.8682 18.7424 18.7448 19.9776 19.9819 21.3790 21.3822 23.5814 23.5903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224 0.0258 ( 608 PWs) bands (ev): -10.1716 -10.1715 -4.5764 -4.5760 1.5337 1.5342 2.6775 2.6809 3.3142 3.3187 9.7598 9.7665 10.4323 10.4362 18.8416 18.8439 20.3025 20.3074 21.3936 21.3964 23.2961 23.3070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224 0.1676 ( 612 PWs) bands (ev): -10.0246 -10.0245 -4.6534 -4.6530 0.5229 0.5238 2.6308 2.6320 4.3319 4.3331 9.2864 9.2891 11.1733 11.1741 18.6306 18.6328 19.7049 19.7088 21.3714 21.3750 23.7861 23.7937 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5224 0.3095 ( 607 PWs) bands (ev): -9.7079 -9.7078 -4.8745 -4.8742 -0.3298 -0.3292 2.2684 2.2691 5.4721 5.4728 8.9902 8.9915 11.9392 11.9398 18.2322 18.2335 19.0348 19.0378 21.3338 21.3370 24.0873 24.0913 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515 0.0903 ( 581 PWs) bands (ev): -12.1482 -12.1482 -2.0480 -2.0478 -0.3030 -0.3030 5.1519 5.1525 5.8252 5.8252 9.6993 9.7001 10.2353 10.2353 15.4813 15.4814 19.9656 19.9668 22.4422 22.4467 23.5431 23.5438 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515 0.2321 ( 590 PWs) bands (ev): -11.7871 -11.7871 -2.0009 -2.0006 -0.3679 -0.3678 4.1806 4.1817 5.5265 5.5272 8.9696 8.9710 10.1270 10.1280 16.7161 16.7166 20.8869 20.8885 22.1768 22.1821 23.7084 23.7119 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515 0.3740 ( 607 PWs) bands (ev): -11.1303 -11.1302 -1.9979 -1.9975 -0.5480 -0.5474 3.3067 3.3084 4.7018 4.7031 8.2940 8.2962 9.7222 9.7238 18.6648 18.6663 21.2904 21.2965 21.8358 21.8396 22.9943 23.0036 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515 0.5158 ( 609 PWs) bands (ev): -10.2257 -10.2256 -2.1661 -2.1655 -0.8379 -0.8365 2.7412 2.7441 3.7038 3.7051 7.7967 7.7995 9.3833 9.3852 20.1883 20.1910 20.4816 20.4856 21.1170 21.1194 23.3664 23.3767 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515 0.6577 ( 602 PWs) bands (ev): -9.1672 -9.1670 -2.5382 -2.5372 -1.1551 -1.1530 2.3894 2.3945 2.8243 2.8264 7.3385 7.3414 9.4671 9.4687 18.8517 18.8549 19.3202 19.3243 22.8037 22.8119 23.4895 23.4955 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515 0.7995 ( 612 PWs) bands (ev): -8.1379 -8.1377 -2.9692 -2.9677 -1.4580 -1.4557 1.8637 1.8674 2.4945 2.4969 6.8633 6.8659 9.9802 9.9818 17.5504 17.5529 18.6238 18.6274 22.0730 22.0800 25.1346 25.1367 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515 0.9414 ( 616 PWs) bands (ev): -7.4823 -7.4821 -3.2603 -3.2585 -1.6568 -1.6544 1.4957 1.4971 2.4421 2.4444 6.5645 6.5663 10.4729 10.4743 16.6794 16.6810 18.5209 18.5228 21.3359 21.3393 26.1412 26.1428 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515-0.9027 ( 614 PWs) bands (ev): -7.5976 -7.5974 -3.2079 -3.2061 -1.6217 -1.6193 1.5571 1.5590 2.4483 2.4506 6.6157 6.6177 10.3780 10.3795 16.8351 16.8369 18.5183 18.5209 21.4745 21.4789 25.9672 25.9692 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515-0.7608 ( 609 PWs) bands (ev): -8.3996 -8.3994 -2.8567 -2.8554 -1.3799 -1.3776 2.0172 2.0217 2.5340 2.5366 6.9856 6.9883 9.8170 9.8185 17.8879 17.8906 18.7416 18.7453 22.3297 22.3375 24.7106 24.7126 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515-0.6190 ( 603 PWs) bands (ev): -9.4630 -9.4628 -2.4228 -2.4220 -1.0687 -1.0668 2.4845 2.4888 3.0297 3.0312 7.4688 7.4717 9.3923 9.3939 19.2275 19.2309 19.6168 19.6210 22.5460 22.5513 23.3370 23.3465 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515-0.4771 ( 608 PWs) bands (ev): -10.4927 -10.4926 -2.0976 -2.0971 -0.7530 -0.7518 2.8646 2.8671 3.9768 3.9782 7.9196 7.9223 9.4461 9.4480 20.1499 20.1528 20.7540 20.7608 20.9761 20.9806 23.2876 23.2979 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515-0.3353 ( 601 PWs) bands (ev): -11.3366 -11.3366 -1.9870 -1.9867 -0.4854 -0.4850 3.5178 3.5194 4.9573 4.9584 8.4606 8.4626 9.8428 9.8443 18.0897 18.0908 21.3690 21.3741 21.9725 21.9767 23.0674 23.0745 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515-0.1934 ( 589 PWs) bands (ev): -11.9162 -11.9162 -2.0141 -2.0139 -0.3412 -0.3411 4.4515 4.4525 5.6757 5.6762 9.1744 9.1756 10.1985 10.1992 16.2894 16.2898 20.5984 20.6000 22.2619 22.2673 23.8939 23.8977 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.0515-0.0516 ( 581 PWs) bands (ev): -12.1921 -12.1921 -2.0558 -2.0557 -0.2974 -0.2974 5.3773 5.3778 5.7756 5.7758 9.8685 9.8692 10.1821 10.1825 15.3224 15.3225 19.8304 19.8313 22.4901 22.4943 23.4117 23.4123 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530 0.1805 ( 589 PWs) bands (ev): -11.9435 -11.9435 -2.8485 -2.8484 0.5353 0.5354 5.0265 5.0293 5.1144 5.1176 9.9748 9.9832 10.0838 10.0921 16.0347 16.0350 20.0843 20.0856 22.4581 22.4636 23.8433 23.8472 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530 0.3224 ( 597 PWs) bands (ev): -11.3881 -11.3881 -2.7139 -2.7136 0.3655 0.3658 4.1355 4.1380 4.2055 4.2090 9.2579 9.2646 9.6071 9.6132 18.0072 18.0083 20.8846 20.8890 22.0599 22.0646 23.1543 23.1617 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530 0.4642 ( 610 PWs) bands (ev): -10.5618 -10.5617 -2.6139 -2.6134 0.0182 0.0191 3.2061 3.2111 3.3530 3.3565 8.4813 8.4865 9.2606 9.2642 20.0244 20.0268 20.7507 20.7576 21.0433 21.0465 23.2848 23.2959 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530 0.6061 ( 604 PWs) bands (ev): -9.5377 -9.5376 -2.6259 -2.6250 -0.5251 -0.5237 2.4070 2.4124 2.7674 2.7710 7.7558 7.7601 9.2496 9.2513 19.0214 19.0242 19.7704 19.7737 22.7946 22.7949 23.4445 23.4557 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530 0.7479 ( 609 PWs) bands (ev): -8.4598 -8.4596 -2.7059 -2.7048 -1.2491 -1.2478 1.9462 1.9508 2.3552 2.3588 7.1042 7.1080 9.6025 9.6039 17.5556 17.5582 19.0676 19.0713 22.7342 22.7432 24.7756 24.7779 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530 0.8898 ( 609 PWs) bands (ev): -7.6116 -7.6113 -2.6717 -2.6704 -2.0181 -2.0172 1.7745 1.7769 2.1075 2.1109 6.6347 6.6380 10.0973 10.0987 16.3938 16.3959 18.9947 18.9979 21.8329 21.8392 25.9298 25.9334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530 1.0317 ( 613 PWs) bands (ev): -7.4201 -7.4199 -2.5567 -2.5555 -2.3067 -2.3057 1.7526 1.7540 2.0578 2.0612 6.5350 6.5381 10.2344 10.2358 16.1285 16.1304 19.0501 19.0524 21.5834 21.5882 26.1824 26.1859 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530-0.8124 ( 609 PWs) bands (ev): -8.0215 -8.0212 -2.7185 -2.7173 -1.6081 -1.6071 1.8409 1.8447 2.2209 2.2244 6.8566 6.8602 9.8354 9.8368 16.9571 16.9595 18.9714 18.9751 22.3065 22.3144 25.4080 25.4108 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530-0.6706 ( 598 PWs) bands (ev): -9.0416 -9.0414 -2.6624 -2.6614 -0.8355 -0.8340 2.1541 2.1594 2.5604 2.5640 7.4476 7.4517 9.3713 9.3726 18.3481 18.3509 19.3689 19.3723 23.1500 23.1589 23.8193 23.8218 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530-0.5287 ( 607 PWs) bands (ev): -10.1144 -10.1143 -2.6043 -2.6036 -0.2044 -0.2032 2.8065 2.8118 3.0624 3.0660 8.1438 8.1485 9.2076 9.2102 19.7576 19.7598 20.4012 20.4045 21.5997 21.6013 23.4489 23.4602 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530-0.3869 ( 602 PWs) bands (ev): -11.0428 -11.0428 -2.6580 -2.6576 0.2317 0.2323 3.7302 3.7328 3.7693 3.7714 8.9020 8.9080 9.4177 9.4227 19.0306 19.0325 20.8690 20.8755 21.7212 21.7250 23.0550 23.0654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530-0.2450 ( 593 PWs) bands (ev): -11.7276 -11.7276 -2.7897 -2.7894 0.4768 0.4770 4.6284 4.6313 4.7310 4.7344 9.6699 9.6776 9.8695 9.8769 16.8580 16.8586 20.5144 20.5166 22.2904 22.2959 23.5912 23.5956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530-0.1032 ( 581 PWs) bands (ev): -12.1182 -12.1182 -2.9022 -2.9021 0.5748 0.5748 5.4182 5.4210 5.4587 5.4616 10.2532 10.2623 10.2895 10.2985 15.2958 15.2960 19.6480 19.6487 22.6035 22.6077 23.5074 23.5080 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0530 0.0387 ( 582 PWs) bands (ev): -12.1915 -12.1915 -2.9263 -2.9263 0.5891 0.5891 5.6069 5.6096 5.6135 5.6162 10.3802 10.3852 10.3898 10.3948 14.9604 14.9605 19.4436 19.4439 22.6631 22.6649 23.2994 23.2995 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575 0.2708 ( 597 PWs) bands (ev): -11.4417 -11.4416 -3.5422 -3.5419 1.1318 1.1320 3.6036 3.6042 5.0509 5.0515 9.4385 9.4406 10.6104 10.6120 17.0957 17.0965 20.4707 20.4737 22.3030 22.3066 23.2555 23.2609 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575 0.4127 ( 608 PWs) bands (ev): -10.7216 -10.7216 -3.3771 -3.3767 0.6402 0.6407 2.8426 2.8440 4.1894 4.1905 8.7745 8.7781 10.1265 10.1287 19.0703 19.0726 20.4028 20.4090 21.6527 21.6554 23.3540 23.3643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575 0.5545 ( 612 PWs) bands (ev): -9.7847 -9.7846 -3.2936 -3.2928 0.0059 0.0069 2.3788 2.3815 3.2624 3.2647 8.2344 8.2390 9.6998 9.7015 19.1279 19.1308 20.3753 20.3800 21.6844 21.6865 23.7773 23.7884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575 0.6964 ( 606 PWs) bands (ev): -8.7541 -8.7539 -3.3069 -3.3058 -0.6540 -0.6526 2.0906 2.0949 2.5299 2.5342 7.7101 7.7148 9.5777 9.5787 17.7666 17.7693 19.6963 19.7007 23.1890 23.1977 23.9439 23.9485 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575 0.8382 ( 612 PWs) bands (ev): -7.8610 -7.8607 -3.2989 -3.2974 -1.3024 -1.3005 1.7509 1.7538 2.2647 2.2690 7.2160 7.2205 9.7812 9.7829 16.4699 16.4722 19.6698 19.6743 22.5264 22.5355 25.1443 25.1486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575 0.9801 ( 614 PWs) bands (ev): -7.4485 -7.4482 -3.2330 -3.2310 -1.6834 -1.6809 1.5666 1.5687 2.2342 2.2382 6.9800 6.9843 9.9748 9.9769 15.8457 15.8476 19.9073 19.9099 21.9575 21.9642 25.4031 25.4071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575 1.1219 ( 614 PWs) bands (ev): -7.7398 -7.7395 -3.2868 -3.2852 -1.4058 -1.4038 1.6964 1.6991 2.2524 2.2566 7.1468 7.1513 9.8312 9.8330 16.2887 16.2909 19.7165 19.7208 22.3796 22.3883 25.2599 25.2646 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575-0.7222 ( 606 PWs) bands (ev): -8.5725 -8.5723 -3.3114 -3.3102 -0.7752 -0.7737 2.0357 2.0400 2.4438 2.4485 7.6127 7.6174 9.5960 9.5970 17.5080 17.5106 19.6455 19.6499 23.1356 23.1453 24.1855 24.1885 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575-0.5803 ( 609 PWs) bands (ev): -9.5993 -9.5991 -3.2908 -3.2900 -0.1133 -0.1122 2.3191 2.3221 3.1068 3.1093 8.1413 8.1459 9.6497 9.6513 18.9062 18.9091 20.2083 20.2127 22.0519 22.0541 23.7814 23.7926 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575-0.4385 ( 611 PWs) bands (ev): -10.5648 -10.5648 -3.3536 -3.3531 0.5304 0.5310 2.7381 2.7397 4.0177 4.0189 8.6690 8.6728 10.0364 10.0386 19.3718 19.3744 20.3637 20.3700 21.4416 21.4440 23.4681 23.4787 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575-0.2966 ( 594 PWs) bands (ev): -11.3303 -11.3302 -3.5104 -3.5101 1.0600 1.0602 3.4427 3.4435 4.9132 4.9138 9.3083 9.3107 10.5315 10.5332 17.4380 17.4389 20.5377 20.5415 22.2701 22.2738 23.1606 23.1674 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575-0.1547 ( 593 PWs) bands (ev): -11.8241 -11.8241 -3.6684 -3.6683 1.3542 1.3542 4.3946 4.3950 5.4699 5.4701 10.0401 10.0411 10.8427 10.8434 15.8293 15.8295 19.8638 19.8646 22.4772 22.4811 23.7684 23.7706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575-0.0129 ( 585 PWs) bands (ev): -12.0116 -12.0116 -3.7397 -3.7397 1.4460 1.4460 5.2389 5.2398 5.3452 5.3461 10.6417 10.6458 10.7243 10.7284 15.1537 15.1539 19.3614 19.3620 22.7023 22.7058 23.6256 23.6259 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1575 0.1290 ( 590 PWs) bands (ev): -11.8816 -11.8815 -3.6896 -3.6895 1.3836 1.3836 4.5709 4.5713 5.5045 5.5046 10.1685 10.1692 10.8576 10.8581 15.6262 15.6263 19.7231 19.7239 22.5295 22.5334 23.8520 23.8546 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619 0.3611 ( 606 PWs) bands (ev): -10.6875 -10.6875 -4.1703 -4.1700 0.8404 0.8408 2.6266 2.6272 5.1011 5.1017 9.0611 9.0629 11.2472 11.2481 17.9022 17.9034 19.9924 19.9966 22.0653 22.0680 23.4812 23.4884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619 0.5029 ( 607 PWs) bands (ev): -9.8760 -9.8759 -4.0832 -4.0827 0.0958 0.0961 2.2936 2.2949 4.2434 4.2448 8.6470 8.6501 10.7017 10.7028 18.9620 18.9649 20.1383 20.1421 21.1138 21.1161 23.9851 23.9939 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619 0.6448 ( 610 PWs) bands (ev): -8.9703 -8.9701 -4.0803 -4.0794 -0.4009 -0.4002 2.1464 2.1485 3.2337 3.2361 8.3590 8.3633 10.0991 10.0998 18.0584 18.0614 20.3416 20.3482 22.1144 22.1179 23.7585 23.7668 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619 0.7866 ( 608 PWs) bands (ev): -8.1807 -8.1804 -4.0271 -4.0258 -0.7338 -0.7322 2.0219 2.0253 2.4472 2.4524 8.0400 8.0452 9.7534 9.7550 16.9044 16.9069 20.3103 20.3168 22.9357 22.9453 24.0082 24.0119 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619 0.9285 ( 609 PWs) bands (ev): -7.7443 -7.7439 -3.8803 -3.8787 -0.9453 -0.9430 1.5440 1.5462 2.4028 2.4073 7.7667 7.7720 9.7113 9.7138 16.1277 16.1298 20.6352 20.6406 22.4656 22.4743 24.5367 24.5430 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619 1.0703 ( 608 PWs) bands (ev): -7.7655 -7.7651 -3.8915 -3.8898 -0.9334 -0.9311 1.5741 1.5763 2.3995 2.4041 7.7821 7.7875 9.7100 9.7124 16.1688 16.1710 20.6081 20.6137 22.4990 22.5078 24.5321 24.5385 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619 1.2122 ( 609 PWs) bands (ev): -8.2408 -8.2406 -4.0375 -4.0363 -0.7080 -0.7065 2.0547 2.0581 2.4836 2.4886 8.0711 8.0762 9.7692 9.7706 17.0022 17.0047 20.2911 20.2976 22.9680 22.9775 23.9126 23.9159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619-0.6319 ( 607 PWs) bands (ev): -9.0517 -9.0515 -4.0800 -4.0792 -0.3643 -0.3636 2.1524 2.1544 3.3248 3.3271 8.3847 8.3889 10.1478 10.1485 18.1620 18.1651 20.3735 20.3801 21.9487 21.9520 23.7954 23.8038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619-0.4900 ( 607 PWs) bands (ev): -9.9561 -9.9560 -4.0867 -4.0862 0.1530 0.1533 2.3166 2.3177 4.3317 4.3330 8.6771 8.6801 10.7581 10.7593 18.9849 18.9876 20.0178 20.0216 21.1887 21.1913 23.9737 23.9825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619-0.3482 ( 606 PWs) bands (ev): -10.7519 -10.7518 -4.1829 -4.1826 0.9178 0.9182 2.6657 2.6662 5.1615 5.1621 9.1094 9.1111 11.2844 11.2853 17.7552 17.7562 20.0271 20.0312 22.1494 22.1520 23.4013 23.4082 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619-0.2063 ( 599 PWs) bands (ev): -11.3237 -11.3237 -4.3345 -4.3344 1.7241 1.7246 3.2526 3.2529 5.4948 5.4949 9.7626 9.7630 11.4705 11.4707 16.4658 16.4661 20.0987 20.1003 22.4898 22.4907 23.0067 23.0079 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619-0.0645 ( 596 PWs) bands (ev): -11.6144 -11.6143 -4.4391 -4.4390 2.1371 2.1373 4.2107 4.2110 5.0796 5.0797 10.5405 10.5425 11.1753 11.1771 15.9523 15.9526 19.6228 19.6240 22.3783 22.3817 23.3798 23.3829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619 0.0774 ( 595 PWs) bands (ev): -11.6004 -11.6003 -4.4336 -4.4335 2.1192 2.1194 4.1150 4.1153 5.1469 5.1470 10.4714 10.4730 11.2206 11.2221 15.9714 15.9717 19.6602 19.6613 22.3722 22.3753 23.3608 23.3635 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.2619 0.2192 ( 599 PWs) bands (ev): -11.2828 -11.2828 -4.3212 -4.3211 1.6621 1.6626 3.1836 3.1839 5.4940 5.4941 9.6951 9.6956 11.4728 11.4731 16.5514 16.5517 20.1236 20.1255 22.5272 22.5288 22.9635 22.9655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664 0.4513 ( 608 PWs) bands (ev): -9.8053 -9.8052 -4.8000 -4.7997 -0.1435 -0.1428 2.3706 2.3715 5.2076 5.2084 9.0456 9.0473 11.7554 11.7561 18.3352 18.3368 19.1927 19.1960 21.3499 21.3535 24.0481 24.0531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664 0.5932 ( 605 PWs) bands (ev): -9.0974 -9.0973 -4.7661 -4.7655 -0.4820 -0.4817 2.1192 2.1204 4.3105 4.3119 8.8095 8.8123 11.0407 11.0416 18.2576 18.2606 20.4059 20.4087 20.8169 20.8210 23.8555 23.8611 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664 0.7351 ( 611 PWs) bands (ev): -8.5452 -8.5450 -4.5913 -4.5904 -0.5403 -0.5395 2.1179 2.1197 3.2002 3.2026 8.6403 8.6447 10.2403 10.2412 17.5300 17.5328 20.6284 20.6369 22.1968 22.2009 23.3953 23.4003 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664 0.8769 ( 610 PWs) bands (ev): -8.2770 -8.2767 -4.2672 -4.2660 -0.4049 -0.4032 1.9078 1.9105 2.5125 2.5176 8.4940 8.5001 9.7017 9.7037 16.8701 16.8725 20.7582 20.7662 22.9311 22.9394 23.7784 23.7825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664 1.0188 ( 609 PWs) bands (ev): -8.2252 -8.2249 -4.1427 -4.1414 -0.2966 -0.2946 1.5922 1.5942 2.5171 2.5219 8.4413 8.4478 9.5742 9.5766 16.6769 16.6791 20.8108 20.8182 22.9671 22.9755 24.1261 24.1303 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664 1.1606 ( 610 PWs) bands (ev): -8.3434 -8.3431 -4.3841 -4.3830 -0.4735 -0.4722 2.0910 2.0937 2.6193 2.6240 8.5433 8.5489 9.8514 9.8529 17.0738 17.0763 20.7062 20.7145 22.8704 22.8783 23.4698 23.4736 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664 1.3025 ( 609 PWs) bands (ev): -8.7152 -8.7150 -4.6808 -4.6800 -0.5430 -0.5425 2.0960 2.0976 3.6080 3.6100 8.6983 8.7021 10.5177 10.5186 17.8103 17.8133 20.6264 20.6350 21.5928 21.5962 23.5490 23.5545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664-0.5416 ( 608 PWs) bands (ev): -9.3487 -9.3486 -4.7841 -4.7836 -0.4005 -0.4000 2.1817 2.1827 4.6770 4.6782 8.8835 8.8859 11.3294 11.3304 18.4487 18.4514 19.8034 19.8052 20.9627 20.9677 23.9853 23.9908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664-0.3998 ( 611 PWs) bands (ev): -10.0582 -10.0581 -4.8157 -4.8154 0.0820 0.0829 2.5110 2.5119 5.4214 5.4219 9.1651 9.1663 11.9282 11.9288 17.9195 17.9204 19.2579 19.2611 21.5938 21.5964 23.9717 23.9761 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664-0.2579 ( 607 PWs) bands (ev): -10.6512 -10.6511 -4.9056 -4.9054 0.9992 1.0003 2.9332 2.9343 5.5286 5.5286 9.6367 9.6369 12.0501 12.0501 17.0231 17.0233 19.6283 19.6312 22.1717 22.1719 23.2758 23.2785 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664-0.1161 ( 604 PWs) bands (ev): -11.0178 -11.0177 -5.0080 -5.0078 2.1335 2.1349 3.3519 3.3535 4.8561 4.8566 10.3295 10.3314 11.6459 11.6471 16.9128 16.9135 19.7311 19.7343 22.1913 22.1947 22.6997 22.7061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664 0.0258 ( 602 PWs) bands (ev): -11.1091 -11.1091 -5.0392 -5.0391 2.5759 2.5767 3.7853 3.7868 4.1848 4.1867 10.7967 10.8027 11.2356 11.2408 17.0165 17.0173 19.6333 19.6368 22.0249 22.0279 22.7399 22.7465 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664 0.1676 ( 607 PWs) bands (ev): -10.9147 -10.9147 -4.9754 -4.9752 1.7311 1.7323 3.1912 3.1926 5.1793 5.1796 10.0565 10.0576 11.8448 11.8454 16.8778 16.8783 19.7486 19.7516 22.3079 22.3111 22.7546 22.7601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3664 0.3095 ( 611 PWs) bands (ev): -10.4576 -10.4575 -4.8665 -4.8663 0.6203 0.6213 2.7799 2.7810 5.5811 5.5812 9.4384 9.4388 12.0699 12.0701 17.2605 17.2607 19.5007 19.5036 21.9896 21.9904 23.6071 23.6101 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709 0.5416 ( 610 PWs) bands (ev): -9.1563 -9.1562 -5.2264 -5.2261 -0.7332 -0.7326 2.1926 2.1937 5.3243 5.3252 9.0069 9.0085 11.9546 11.9555 18.3404 18.3427 19.0521 19.0539 20.9664 20.9713 23.9648 23.9682 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709 0.6835 ( 610 PWs) bands (ev): -8.9392 -8.9390 -4.8762 -4.8756 -0.6001 -0.5998 2.0766 2.0778 4.3401 4.3416 8.7971 8.7999 11.0737 11.0747 18.1597 18.1627 20.4802 20.4824 20.7526 20.7573 23.7848 23.7900 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709 0.8253 ( 610 PWs) bands (ev): -8.9293 -8.9291 -4.3709 -4.3701 -0.2083 -0.2076 2.1774 2.1792 3.1505 3.1532 8.7133 8.7178 10.1806 10.1808 17.8456 17.8485 20.5881 20.5958 22.0761 22.0793 23.6557 23.6624 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709 0.9672 ( 612 PWs) bands (ev): -8.9620 -8.9618 -4.0803 -4.0793 0.2971 0.2985 1.8912 1.8941 2.6348 2.6397 8.7496 8.7562 9.6679 9.6694 17.6490 17.6516 20.5222 20.5287 23.1601 23.1613 23.5996 23.6097 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709 1.1090 ( 613 PWs) bands (ev): -8.9440 -8.9438 -4.2222 -4.2212 -0.0060 -0.0050 2.1482 2.1507 2.8190 2.8231 8.7197 8.7251 9.9268 9.9272 17.7468 17.7495 20.5558 20.5630 22.5659 22.5690 23.6518 23.6593 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709 1.2509 ( 607 PWs) bands (ev): -8.9198 -8.9196 -4.6928 -4.6921 -0.4883 -0.4878 2.1064 2.1078 3.9054 3.9071 8.7494 8.7528 10.7302 10.7311 18.0489 18.0519 20.6500 20.6590 21.1093 21.1130 23.7133 23.7190 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709 1.3927 ( 608 PWs) bands (ev): -9.0467 -9.0466 -5.1319 -5.1315 -0.7171 -0.7166 2.1123 2.1134 5.0161 5.0173 8.9191 8.9211 11.6606 11.6615 18.3084 18.3111 19.5237 19.5251 20.8648 20.8707 23.9179 23.9220 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709-0.4513 ( 609 PWs) bands (ev): -9.4170 -9.4170 -5.3149 -5.3146 -0.6393 -0.6384 2.4264 2.4276 5.6696 5.6701 9.1901 9.1910 12.3323 12.3327 18.0431 18.0445 18.7408 18.7431 21.1712 21.1737 23.9703 23.9723 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709-0.3095 ( 608 PWs) bands (ev): -9.8888 -9.8888 -5.3763 -5.3760 -0.0725 -0.0714 2.9238 2.9252 5.5684 5.5686 9.5752 9.5759 12.4464 12.4466 17.5237 17.5242 18.9867 18.9890 21.4593 21.4605 23.7713 23.7731 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709-0.1676 ( 609 PWs) bands (ev): -10.2646 -10.2646 -5.4452 -5.4449 1.0131 1.0144 3.3506 3.3525 4.6892 4.6903 10.1334 10.1353 12.0014 12.0019 17.7374 17.7385 19.3194 19.3231 21.6081 21.6117 23.1499 23.1552 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709-0.0258 ( 607 PWs) bands (ev): -10.4321 -10.4320 -5.4900 -5.4898 2.2988 2.3003 3.1165 3.1201 3.8805 3.8849 10.8110 10.8175 11.3055 11.3101 18.1655 18.1676 19.4638 19.4694 21.6120 21.6161 22.5629 22.5717 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709 0.1161 ( 607 PWs) bands (ev): -10.3529 -10.3529 -5.4676 -5.4674 1.4955 1.4969 3.4102 3.4127 4.2787 4.2810 10.3817 10.3843 11.7499 11.7508 17.9216 17.9231 19.4028 19.4072 21.6220 21.6258 22.8676 22.8744 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709 0.2579 ( 606 PWs) bands (ev): -10.0445 -10.0444 -5.4000 -5.3998 0.2696 0.2707 3.1026 3.1042 5.3236 5.3241 9.7556 9.7567 12.3389 12.3392 17.5253 17.5259 19.1136 19.1163 21.5320 21.5343 23.6026 23.6054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.4709 0.3998 ( 607 PWs) bands (ev): -9.5886 -9.5886 -5.3402 -5.3399 -0.4974 -0.4965 2.5981 2.5994 5.7312 5.7314 9.3140 9.3146 12.4462 12.4464 17.7775 17.7783 18.7978 18.7999 21.2873 21.2884 23.9309 23.9323 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739-0.3611 ( 603 PWs) bands (ev): -9.3249 -9.3248 -4.8471 -4.8468 -0.7886 -0.7880 2.1391 2.1404 5.4008 5.4017 8.6112 8.6129 11.7695 11.7704 18.6989 18.7016 19.0749 19.0766 21.0267 21.0310 24.0051 24.0097 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739-0.2192 ( 611 PWs) bands (ev): -9.5713 -9.5712 -4.2199 -4.2194 -0.2562 -0.2559 2.1882 2.1895 4.3144 4.3159 8.5359 8.5389 10.7974 10.7985 18.7884 18.7916 20.2551 20.2587 20.9278 20.9301 24.0133 24.0212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739-0.0774 ( 614 PWs) bands (ev): -9.7437 -9.7436 -3.8211 -3.8204 0.4837 0.4844 2.3508 2.3532 3.1364 3.1393 8.7189 8.7240 9.9231 9.9249 18.7854 18.7883 20.5994 20.6057 21.6177 21.6200 23.8014 23.8125 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739 0.0645 ( 614 PWs) bands (ev): -9.7519 -9.7518 -3.8032 -3.8025 0.5411 0.5419 2.3607 2.3634 3.0576 3.0609 8.7410 8.7465 9.8680 9.8700 18.7836 18.7865 20.5956 20.6017 21.6883 21.6905 23.7760 23.7874 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739 0.2063 ( 610 PWs) bands (ev): -9.5921 -9.5920 -4.1701 -4.1696 -0.1938 -0.1935 2.2029 2.2043 4.2008 4.2023 8.5425 8.5457 10.7072 10.7083 18.7911 18.7943 20.3509 20.3553 20.9355 20.9372 24.0041 24.0124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739 0.3482 ( 605 PWs) bands (ev): -9.3461 -9.3460 -4.7891 -4.7888 -0.7519 -0.7514 2.1318 2.1331 5.3210 5.3220 8.5940 8.5959 11.6883 11.6892 18.7125 18.7152 19.1721 19.1736 21.0171 21.0215 24.0128 24.0177 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739 0.4900 ( 606 PWs) bands (ev): -9.1840 -9.1840 -5.3396 -5.3395 -1.0141 -1.0132 2.3621 2.3636 5.8795 5.8798 8.8661 8.8672 12.3927 12.3930 18.2393 18.2402 18.6826 18.6833 21.0690 21.0706 23.8838 23.8854 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739-1.3540 ( 609 PWs) bands (ev): -9.2499 -9.2498 -5.6184 -5.6182 -0.8525 -0.8514 2.8483 2.8500 5.6011 5.6015 9.2780 9.2793 12.5252 12.5256 17.9958 17.9973 18.7764 18.7783 21.0264 21.0291 23.7073 23.7090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739-1.2122 ( 604 PWs) bands (ev): -9.4613 -9.4612 -5.7230 -5.7227 -0.1112 -0.1099 3.3501 3.3522 4.5696 4.5711 9.8102 9.8122 12.1040 12.1045 18.1630 18.1652 19.2675 19.2706 21.0040 21.0092 23.3996 23.4036 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739-1.0703 ( 610 PWs) bands (ev): -9.6259 -9.6257 -5.7738 -5.7734 1.1415 1.1429 2.8581 2.8613 3.9188 3.9231 10.4743 10.4777 11.3836 11.3846 18.2819 18.2840 20.0595 20.0634 21.0902 21.0944 22.8463 22.8531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739-0.9285 ( 608 PWs) bands (ev): -9.6338 -9.6337 -5.7762 -5.7759 1.2698 1.2713 2.7299 2.7329 3.9241 3.9282 10.5385 10.5424 11.3147 11.3161 18.2865 18.2885 20.1140 20.1180 21.1023 21.1064 22.7981 22.8052 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739-0.7866 ( 606 PWs) bands (ev): -9.4807 -9.4806 -5.7292 -5.7289 -0.0152 -0.0140 3.3805 3.3828 4.4570 4.4587 9.8652 9.8673 12.0464 12.0469 18.1793 18.1815 19.3361 19.3391 21.0069 21.0121 23.3586 23.3628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739-0.6448 ( 608 PWs) bands (ev): -9.2661 -9.2660 -5.6323 -5.6321 -0.8100 -0.8089 2.8982 2.8999 5.5334 5.5338 9.3212 9.3226 12.5068 12.5072 18.0022 18.0038 18.8013 18.8033 21.0215 21.0245 23.6875 23.6894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.5739-0.5029 ( 609 PWs) bands (ev): -9.1799 -9.1799 -5.3766 -5.3765 -1.0200 -1.0191 2.3982 2.3997 5.8907 5.8910 8.8985 8.8996 12.4308 12.4310 18.1905 18.1914 18.6800 18.6805 21.0680 21.0691 23.8692 23.8706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694-0.2708 ( 610 PWs) bands (ev): -10.1110 -10.1109 -3.8473 -3.8469 -0.4571 -0.4566 2.2790 2.2806 5.4168 5.4176 8.1337 8.1357 11.2618 11.2628 18.6193 18.6207 19.8112 19.8157 21.5221 21.5246 24.0156 24.0229 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694-0.1290 ( 613 PWs) bands (ev): -10.4329 -10.4328 -3.4061 -3.4056 0.2964 0.2969 2.5478 2.5494 4.2703 4.2715 8.4694 8.4727 10.2554 10.2570 19.3296 19.3322 20.2631 20.2689 21.3886 21.3906 23.6495 23.6596 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694 0.0129 ( 610 PWs) bands (ev): -10.5324 -10.5323 -3.2853 -3.2847 0.6676 0.6684 3.0753 3.0789 3.3334 3.3365 8.8681 8.8743 9.6298 9.6341 19.6265 19.6287 20.5243 20.5305 21.2671 21.2700 23.3721 23.3835 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694 0.1547 ( 612 PWs) bands (ev): -10.3895 -10.3894 -3.4617 -3.4612 0.1619 0.1624 2.4725 2.4741 4.4969 4.4981 8.3807 8.3836 10.4396 10.4411 19.2095 19.2119 20.1836 20.1892 21.4227 21.4248 23.7383 23.7479 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694 0.2966 ( 612 PWs) bands (ev): -10.0334 -10.0333 -3.9601 -3.9598 -0.5796 -0.5790 2.2646 2.2663 5.5791 5.5799 8.1151 8.1170 11.4281 11.4290 18.5066 18.5077 19.7259 19.7301 21.5229 21.5253 24.0318 24.0385 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694 0.4385 ( 606 PWs) bands (ev): -9.5532 -9.5531 -4.6637 -4.6637 -1.0852 -1.0842 2.3740 2.3759 6.0272 6.0272 8.2283 8.2297 12.1025 12.1026 18.2222 18.2224 19.2780 19.2814 21.3353 21.3356 23.8944 23.8985 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694 0.5803 ( 606 PWs) bands (ev): -9.1108 -9.1108 -5.2930 -5.2927 -1.2428 -1.2416 2.7633 2.7654 5.6036 5.6042 8.6162 8.6181 12.2366 12.2372 18.5335 18.5354 19.0122 19.0147 20.9227 20.9265 23.6076 23.6115 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694-1.2638 ( 610 PWs) bands (ev): -8.8735 -8.8734 -5.6702 -5.6697 -0.8976 -0.8963 3.2477 3.2502 4.4781 4.4795 9.1604 9.1627 11.9001 11.9009 18.3596 18.3629 19.7909 19.7952 20.6544 20.6620 23.2267 23.2315 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694-1.1219 ( 609 PWs) bands (ev): -8.8325 -8.8323 -5.8294 -5.8289 0.0352 0.0366 2.7668 2.7698 3.8323 3.8365 9.7738 9.7765 11.3326 11.3345 17.9867 17.9890 20.6161 20.6214 21.0778 21.0795 22.7647 22.7696 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694-0.9801 ( 608 PWs) bands (ev): -8.8401 -8.8399 -5.8672 -5.8666 1.0525 1.0540 1.5952 1.5968 3.9374 3.9411 10.1363 10.1402 10.9728 10.9766 17.8438 17.8457 20.7151 20.7213 21.7100 21.7120 22.4637 22.4691 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694-0.8382 ( 609 PWs) bands (ev): -8.8321 -8.8319 -5.8116 -5.8110 -0.1743 -0.1729 3.0225 3.0262 3.8091 3.8137 9.6629 9.6654 11.4407 11.4422 18.0449 18.0473 20.5660 20.5699 20.8931 20.8961 22.8497 22.8546 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694-0.6964 ( 611 PWs) bands (ev): -8.8986 -8.8985 -5.6211 -5.6206 -1.0044 -1.0032 3.1679 3.1703 4.7149 4.7160 9.0537 9.0559 11.9858 11.9866 18.4285 18.4320 19.5890 19.5932 20.6760 20.6831 23.3044 23.3090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694-0.5545 ( 610 PWs) bands (ev): -9.1796 -9.1795 -5.1950 -5.1949 -1.2464 -1.2453 2.6777 2.6798 5.7426 5.7432 8.5311 8.5329 12.2529 12.2535 18.4647 18.4656 19.0194 19.0216 20.9992 21.0022 23.6653 23.6690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4694-0.4127 ( 609 PWs) bands (ev): -9.6433 -9.6432 -4.5331 -4.5330 -1.0159 -1.0151 2.3305 2.3323 6.0089 6.0091 8.1833 8.1847 12.0169 12.0171 18.2241 18.2244 19.3534 19.3570 21.3930 21.3939 23.9372 23.9417 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649-0.1805 ( 605 PWs) bands (ev): -10.9620 -10.9620 -2.8431 -2.8428 -0.1232 -0.1226 2.7701 2.7718 5.3902 5.3910 8.1239 8.1259 10.6121 10.6133 18.0626 18.0638 20.8516 20.8571 22.2492 22.2522 23.2770 23.2856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649-0.0387 ( 599 PWs) bands (ev): -11.1769 -11.1769 -2.6856 -2.6852 0.2695 0.2700 3.6084 3.6097 4.2419 4.2431 8.9131 8.9173 9.6318 9.6351 18.5789 18.5804 20.9246 20.9303 21.9090 21.9131 23.0552 23.0646 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649 0.1032 ( 603 PWs) bands (ev): -11.1131 -11.1130 -2.7287 -2.7283 0.1470 0.1475 3.1614 3.1629 4.7891 4.7901 8.5325 8.5349 10.0725 10.0742 18.3733 18.3747 20.9461 20.9517 22.0378 22.0414 23.1064 23.1158 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649 0.2450 ( 610 PWs) bands (ev): -10.7777 -10.7777 -3.0041 -3.0039 -0.4067 -0.4060 2.5721 2.5740 5.7829 5.7834 7.8705 7.8723 11.0093 11.0101 17.8781 17.8789 20.6790 20.6845 22.2964 22.2981 23.5224 23.5303 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649 0.3869 ( 610 PWs) bands (ev): -10.2139 -10.2138 -3.5874 -3.5873 -0.9900 -0.9890 2.4750 2.4773 6.0895 6.0897 7.6475 7.6493 11.5772 11.5774 18.0054 18.0055 20.1826 20.1878 21.8788 21.8792 23.8424 23.8496 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649 0.5287 ( 606 PWs) bands (ev): -9.5142 -9.5141 -4.3429 -4.3426 -1.3235 -1.3223 2.7092 2.7118 5.5429 5.5437 7.8459 7.8482 11.6555 11.6564 18.9213 18.9218 19.6209 19.6252 21.0534 21.0566 23.6350 23.6419 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649 0.6706 ( 613 PWs) bands (ev): -8.8352 -8.8350 -5.0160 -5.0155 -1.2882 -1.2868 3.0934 3.0962 4.3839 4.3852 8.2963 8.2988 11.4077 11.4087 18.8049 18.8088 20.2789 20.2835 20.4923 20.4991 23.1357 23.1430 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649-1.1735 ( 613 PWs) bands (ev): -8.3568 -8.3565 -5.4576 -5.4568 -0.7485 -0.7468 2.7396 2.7430 3.6166 3.6208 8.7893 8.7918 11.1080 11.1099 17.9493 17.9518 20.2007 20.2059 21.7041 21.7088 22.7274 22.7324 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649-1.0317 ( 612 PWs) bands (ev): -8.1582 -8.1579 -5.6403 -5.6394 0.2328 0.2349 1.3329 1.3342 3.7758 3.7792 9.0763 9.0790 10.9536 10.9571 17.4440 17.4457 20.3470 20.3506 21.6401 21.6458 23.3842 23.3859 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649-0.8898 ( 609 PWs) bands (ev): -8.2149 -8.2145 -5.5877 -5.5869 -0.2373 -0.2355 1.9372 1.9393 3.7203 3.7239 8.9866 8.9892 10.9996 11.0025 17.6027 17.6046 20.2745 20.2794 21.7559 21.7624 23.0632 23.0656 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649-0.7479 ( 612 PWs) bands (ev): -8.5406 -8.5404 -5.2896 -5.2890 -1.0618 -1.0603 3.1881 3.1925 3.7115 3.7155 8.5753 8.5778 11.2349 11.2361 18.3235 18.3265 20.2110 20.2156 21.2156 21.2180 22.8336 22.8405 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649-0.6061 ( 611 PWs) bands (ev): -9.1291 -9.1289 -4.7330 -4.7326 -1.3592 -1.3579 2.9158 2.9185 4.9631 4.9641 8.0727 8.0752 11.5430 11.5440 19.1644 19.1693 19.7248 19.7292 20.6347 20.6402 23.3875 23.3946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649-0.4642 ( 608 PWs) bands (ev): -9.8405 -9.8405 -3.9956 -3.9954 -1.2101 -1.2089 2.5717 2.5741 5.8874 5.8879 7.7129 7.7150 11.6755 11.6761 18.4243 18.4249 19.8851 19.8899 21.4480 21.4498 23.7763 23.7833 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3649-0.3224 ( 607 PWs) bands (ev): -10.4939 -10.4939 -3.2863 -3.2861 -0.7466 -0.7458 2.4688 2.4709 6.0577 6.0579 7.6906 7.6923 11.3795 11.3798 17.8436 17.8440 20.4183 20.4236 22.1437 22.1442 23.7741 23.7815 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605-0.0903 ( 591 PWs) bands (ev): -11.6359 -11.6358 -1.9905 -1.9902 -0.4036 -0.4034 3.9184 3.9196 5.3378 5.3387 8.7698 8.7715 10.0326 10.0338 17.1963 17.1971 21.1541 21.1561 22.0888 22.0939 23.4578 23.4619 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605 0.0516 ( 593 PWs) bands (ev): -11.6772 -11.6771 -1.9766 -1.9763 -0.3703 -0.3701 4.2202 4.2213 5.0550 5.0562 9.0343 9.0362 9.7838 9.7854 17.2384 17.2391 21.0079 21.0099 22.1193 22.1253 23.4815 23.4859 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605 0.1934 ( 598 PWs) bands (ev): -11.4181 -11.4181 -2.0819 -2.0816 -0.5818 -0.5814 3.2286 3.2303 5.9115 5.9119 8.1220 8.1236 10.5920 10.5926 17.1522 17.1527 21.4092 21.4152 22.3262 22.3315 23.2632 23.2657 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605 0.3353 ( 604 PWs) bands (ev): -10.8803 -10.8803 -2.4338 -2.4337 -0.9632 -0.9623 2.7187 2.7211 6.0408 6.0411 7.5309 7.5328 10.9786 10.9791 17.6893 17.6898 21.0244 21.0312 22.5260 22.5275 23.3010 23.3098 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605 0.4771 ( 610 PWs) bands (ev): -10.1173 -10.1173 -3.1109 -3.1105 -1.2703 -1.2690 2.6845 2.6874 5.3830 5.3839 7.3951 7.3976 10.9331 10.9343 19.0198 19.0210 20.4033 20.4092 21.3251 21.3270 23.6151 23.6244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605 0.6190 ( 611 PWs) bands (ev): -9.2319 -9.2318 -3.8952 -3.8947 -1.3712 -1.3695 2.8969 2.9001 4.2398 4.2407 7.5963 7.5989 10.7116 10.7129 19.4145 19.4182 20.1957 20.2010 20.8046 20.8087 23.2443 23.2535 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605 0.7608 ( 608 PWs) bands (ev): -8.3952 -8.3949 -4.5571 -4.5563 -1.1609 -1.1590 2.7192 2.7235 3.3076 3.3114 7.8591 7.8614 10.6443 10.6458 18.2277 18.2301 19.6135 19.6186 22.0313 22.0382 23.0791 23.0840 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605-1.0832 ( 615 PWs) bands (ev): -7.8359 -7.8356 -4.9668 -4.9657 -0.5838 -0.5814 1.4544 1.4563 3.4337 3.4367 7.9656 7.9676 10.8158 10.8185 17.3372 17.3388 19.5036 19.5070 21.4836 21.4891 24.3721 24.3742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605-0.9414 ( 613 PWs) bands (ev): -7.7616 -7.7612 -5.0203 -5.0191 -0.4149 -0.4124 1.1914 1.1927 3.4563 3.4592 7.9723 7.9743 10.8575 10.8604 17.2110 17.2124 19.5175 19.5198 21.3677 21.3721 24.6112 24.6129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605-0.7995 ( 609 PWs) bands (ev): -8.2050 -8.2047 -4.6984 -4.6975 -1.0353 -1.0333 2.3740 2.3773 3.3327 3.3361 7.9054 7.9076 10.6769 10.6788 17.9351 17.9373 19.5429 19.5477 21.9287 21.9359 23.4200 23.4231 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605-0.6577 ( 610 PWs) bands (ev): -8.9899 -8.9898 -4.0945 -4.0938 -1.3502 -1.3485 2.9594 2.9628 3.8900 3.8911 7.6752 7.6778 10.6660 10.6673 19.0895 19.0926 19.9878 19.9929 21.2799 21.2840 23.0857 23.0948 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605-0.5158 ( 613 PWs) bands (ev): -9.8822 -9.8821 -3.3262 -3.3258 -1.3215 -1.3201 2.7287 2.7317 5.1053 5.1062 7.4261 7.4287 10.8757 10.8771 19.4726 19.4738 20.1837 20.1889 20.9821 20.9843 23.5669 23.5761 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605-0.3740 ( 607 PWs) bands (ev): -10.6913 -10.6913 -2.5910 -2.5908 -1.0632 -1.0621 2.6705 2.6730 5.9294 5.9299 7.4494 7.4515 11.0017 11.0025 17.9842 17.9849 20.8781 20.8847 22.2298 22.2313 23.4714 23.4806 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.2605-0.2321 ( 601 PWs) bands (ev): -11.2976 -11.2975 -2.1458 -2.1455 -0.6778 -0.6773 3.0346 3.0365 6.0312 6.0314 7.9191 7.9207 10.7458 10.7461 17.2143 17.2147 21.3428 21.3497 22.5981 22.6048 23.1204 23.1223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1560-0.0000 ( 585 PWs) bands (ev): -12.0429 -12.0429 -1.2723 -1.2715 -1.0648 -1.0642 5.2013 5.2023 5.3033 5.3055 9.6613 9.6618 9.7274 9.7280 16.0855 16.0859 20.3444 20.3458 22.3571 22.3634 23.7821 23.7850 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1560 0.1419 ( 591 PWs) bands (ev): -11.8856 -11.8856 -1.2736 -1.2725 -1.1211 -1.1203 4.2044 4.2056 5.9317 5.9319 8.8251 8.8264 10.3075 10.3078 16.3262 16.3264 20.9073 20.9092 22.1190 22.1238 23.9665 23.9689 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1560 0.2837 ( 597 PWs) bands (ev): -11.4238 -11.4237 -1.4367 -1.4365 -1.2119 -1.2113 3.2888 3.2907 5.8571 5.8576 8.0292 8.0309 10.4571 10.4578 17.2783 17.2789 21.6346 21.6445 22.1283 22.1370 23.2498 23.2529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1560 0.4256 ( 605 PWs) bands (ev): -10.6906 -10.6905 -1.9699 -1.9694 -1.2469 -1.2454 2.8017 2.8043 5.1081 5.1091 7.5533 7.5555 10.2373 10.2388 18.9467 18.9482 21.0391 21.0458 21.6535 21.6557 23.2939 23.3039 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1560 0.5674 ( 610 PWs) bands (ev): -9.7542 -9.7541 -2.6982 -2.6975 -1.2967 -1.2948 2.6985 2.7017 4.0156 4.0165 7.4054 7.4079 9.9707 9.9724 19.9692 19.9729 20.1515 20.1568 21.0772 21.0809 23.3873 23.3971 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1560 0.7093 ( 603 PWs) bands (ev): -8.7424 -8.7422 -3.4157 -3.4147 -1.2877 -1.2855 2.6051 2.6105 2.9898 2.9926 7.3276 7.3299 10.0277 10.0293 18.6348 18.6377 19.2031 19.2083 22.3599 22.3677 23.4352 23.4401 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1560 0.8511 ( 611 PWs) bands (ev): -7.8834 -7.8831 -3.9669 -3.9656 -1.1301 -1.1275 1.6606 1.6631 2.9565 2.9589 7.1553 7.1570 10.4576 10.4595 17.4979 17.4996 18.7360 18.7395 21.6267 21.6324 24.9679 24.9700 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1560-0.9930 ( 616 PWs) bands (ev): -7.5226 -7.5224 -4.1905 -4.1890 -0.9730 -0.9705 1.1554 1.1558 2.9924 2.9946 7.0585 7.0597 10.7372 10.7393 16.9903 16.9909 18.6892 18.6893 21.1925 21.1942 25.7195 25.7202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030 0.1805 ( 595 PWs) bands (ev): -11.6911 -11.6911 -2.8190 -2.8188 0.3832 0.3834 3.7299 3.7309 5.8340 5.8340 8.9687 8.9697 10.6934 10.6934 16.4498 16.4500 20.7583 20.7585 22.3056 22.3075 23.6505 23.6505 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030 0.3224 ( 604 PWs) bands (ev): -11.1547 -11.1547 -2.8209 -2.8205 0.0108 0.0112 2.9153 2.9168 5.5758 5.5764 8.2638 8.2655 10.6820 10.6829 17.6190 17.6199 20.9621 20.9672 22.4935 22.4975 23.1272 23.1350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030 0.4642 ( 610 PWs) bands (ev): -10.3660 -10.3659 -2.9775 -2.9770 -0.4881 -0.4872 2.5357 2.5379 4.7382 4.7394 7.8707 7.8733 10.3544 10.3559 19.3702 19.3724 20.3917 20.3974 21.3124 21.3142 23.6781 23.6877 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030 0.6061 ( 602 PWs) bands (ev): -9.4110 -9.4109 -3.3341 -3.3334 -0.8736 -0.8722 2.4712 2.4741 3.6506 3.6523 7.7170 7.7203 10.0303 10.0318 19.1564 19.1596 20.0444 20.0489 21.5970 21.6005 23.6161 23.6260 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030 0.7479 ( 609 PWs) bands (ev): -8.4501 -8.4499 -3.7470 -3.7459 -1.0442 -1.0422 2.3057 2.3103 2.7792 2.7834 7.5562 7.5596 10.0267 10.0283 17.8339 17.8365 19.4481 19.4526 22.5605 22.5688 23.8666 23.8700 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030 0.8898 ( 616 PWs) bands (ev): -7.7465 -7.7462 -4.0349 -4.0334 -1.0102 -1.0078 1.4957 1.4977 2.7817 2.7851 7.3463 7.3495 10.3072 10.3096 16.7854 16.7874 19.4115 19.4152 21.8339 21.8406 25.1683 25.1709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030 1.0317 ( 614 PWs) bands (ev): -7.5968 -7.5964 -4.0931 -4.0916 -0.9736 -0.9711 1.2821 1.2835 2.8011 2.8045 7.2930 7.2961 10.4006 10.4031 16.5506 16.5523 19.4707 19.4731 21.6094 21.6147 25.4793 25.4814 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030-0.8124 ( 610 PWs) bands (ev): -8.0791 -8.0789 -3.9015 -3.9002 -1.0487 -1.0465 1.9238 1.9270 2.7503 2.7540 7.4551 7.4584 10.1430 10.1449 17.2906 17.2929 19.3758 19.3802 22.2454 22.2534 24.5192 24.5217 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030-0.6706 ( 605 PWs) bands (ev): -8.9617 -8.9615 -3.5272 -3.5263 -0.9791 -0.9774 2.4748 2.4783 3.1595 3.1619 7.6570 7.6604 9.9774 9.9787 18.5561 18.5590 19.6986 19.7031 22.3681 22.3735 23.4750 23.4837 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030-0.5287 ( 607 PWs) bands (ev): -9.9450 -9.9449 -3.1198 -3.1193 -0.6875 -0.6863 2.4798 2.4823 4.2576 4.2590 7.7848 7.7878 10.1853 10.1868 19.7298 19.7329 20.3919 20.3977 20.8283 20.8310 23.7376 23.7475 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030-0.3869 ( 609 PWs) bands (ev): -10.8236 -10.8235 -2.8659 -2.8655 -0.2156 -0.2150 2.6916 2.6935 5.2459 5.2468 8.0446 8.0467 10.5549 10.5562 18.3793 18.3806 20.7536 20.7592 22.0336 22.0360 23.3998 23.4088 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030-0.2450 ( 600 PWs) bands (ev): -11.4821 -11.4821 -2.8091 -2.8089 0.2422 0.2425 3.3085 3.3097 5.8093 5.8095 8.6158 8.6170 10.7434 10.7438 16.8817 16.8821 20.9897 20.9925 22.4163 22.4185 23.3409 23.3431 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030-0.1032 ( 591 PWs) bands (ev): -11.8606 -11.8606 -2.8367 -2.8366 0.4881 0.4882 4.3057 4.3065 5.6436 5.6440 9.4303 9.4314 10.4986 10.4993 16.1515 16.1518 20.3530 20.3542 22.3614 22.3658 23.8605 23.8635 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1030 0.0387 ( 591 PWs) bands (ev): -11.9318 -11.9318 -2.8468 -2.8466 0.5288 0.5289 4.7926 4.7933 5.3231 5.3238 9.8095 9.8117 10.2356 10.2377 16.0496 16.0499 20.1249 20.1263 22.4406 22.4460 23.8542 23.8582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015 0.2708 ( 597 PWs) bands (ev): -11.4417 -11.4416 -3.5422 -3.5419 1.1318 1.1320 3.6036 3.6042 5.0509 5.0515 9.4385 9.4406 10.6104 10.6120 17.0957 17.0965 20.4707 20.4737 22.3030 22.3066 23.2555 23.2609 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015 0.4127 ( 608 PWs) bands (ev): -10.7216 -10.7216 -3.3771 -3.3767 0.6402 0.6407 2.8426 2.8440 4.1894 4.1905 8.7745 8.7781 10.1265 10.1287 19.0703 19.0726 20.4028 20.4090 21.6527 21.6554 23.3540 23.3643 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015 0.5545 ( 612 PWs) bands (ev): -9.7847 -9.7846 -3.2936 -3.2928 0.0059 0.0069 2.3788 2.3815 3.2624 3.2647 8.2344 8.2390 9.6998 9.7015 19.1279 19.1308 20.3753 20.3800 21.6844 21.6865 23.7773 23.7884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015 0.6964 ( 606 PWs) bands (ev): -8.7541 -8.7539 -3.3069 -3.3058 -0.6540 -0.6526 2.0906 2.0949 2.5299 2.5342 7.7101 7.7148 9.5777 9.5787 17.7666 17.7693 19.6963 19.7007 23.1890 23.1977 23.9439 23.9485 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015 0.8382 ( 612 PWs) bands (ev): -7.8610 -7.8607 -3.2989 -3.2974 -1.3024 -1.3005 1.7509 1.7538 2.2647 2.2690 7.2160 7.2205 9.7812 9.7829 16.4699 16.4722 19.6698 19.6743 22.5264 22.5355 25.1443 25.1486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015 0.9801 ( 614 PWs) bands (ev): -7.4485 -7.4482 -3.2330 -3.2310 -1.6834 -1.6809 1.5666 1.5687 2.2342 2.2382 6.9800 6.9843 9.9748 9.9769 15.8457 15.8476 19.9073 19.9099 21.9575 21.9642 25.4031 25.4071 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015 1.1219 ( 614 PWs) bands (ev): -7.7398 -7.7395 -3.2868 -3.2852 -1.4058 -1.4038 1.6964 1.6991 2.2524 2.2566 7.1468 7.1513 9.8312 9.8330 16.2887 16.2909 19.7165 19.7208 22.3796 22.3883 25.2599 25.2646 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015-0.7222 ( 606 PWs) bands (ev): -8.5725 -8.5723 -3.3114 -3.3102 -0.7752 -0.7737 2.0357 2.0400 2.4438 2.4485 7.6127 7.6174 9.5960 9.5970 17.5080 17.5106 19.6455 19.6499 23.1356 23.1453 24.1855 24.1885 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015-0.5803 ( 609 PWs) bands (ev): -9.5993 -9.5991 -3.2908 -3.2900 -0.1133 -0.1122 2.3191 2.3221 3.1068 3.1093 8.1413 8.1459 9.6497 9.6513 18.9062 18.9091 20.2083 20.2127 22.0519 22.0541 23.7814 23.7926 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015-0.4385 ( 611 PWs) bands (ev): -10.5648 -10.5648 -3.3536 -3.3531 0.5304 0.5310 2.7381 2.7397 4.0177 4.0189 8.6690 8.6728 10.0364 10.0386 19.3718 19.3744 20.3637 20.3700 21.4416 21.4440 23.4681 23.4787 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015-0.2966 ( 594 PWs) bands (ev): -11.3303 -11.3302 -3.5104 -3.5101 1.0600 1.0602 3.4427 3.4435 4.9132 4.9138 9.3083 9.3107 10.5315 10.5332 17.4380 17.4389 20.5377 20.5415 22.2701 22.2738 23.1606 23.1674 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015-0.1547 ( 593 PWs) bands (ev): -11.8241 -11.8241 -3.6684 -3.6683 1.3542 1.3542 4.3946 4.3950 5.4699 5.4701 10.0401 10.0411 10.8427 10.8434 15.8293 15.8295 19.8638 19.8646 22.4772 22.4811 23.7684 23.7706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015-0.0129 ( 585 PWs) bands (ev): -12.0116 -12.0116 -3.7397 -3.7397 1.4460 1.4460 5.2389 5.2398 5.3452 5.3461 10.6417 10.6458 10.7243 10.7284 15.1537 15.1539 19.3614 19.3620 22.7023 22.7058 23.6256 23.6259 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0015 0.1290 ( 590 PWs) bands (ev): -11.8816 -11.8815 -3.6896 -3.6895 1.3836 1.3836 4.5709 4.5713 5.5045 5.5046 10.1685 10.1692 10.8576 10.8581 15.6262 15.6263 19.7231 19.7239 22.5295 22.5334 23.8520 23.8546 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060 0.3611 ( 599 PWs) bands (ev): -10.9037 -10.9036 -4.1252 -4.1249 1.6366 1.6367 3.5043 3.5081 3.6438 3.6481 9.8194 9.8269 10.3280 10.3341 18.4347 18.4366 20.1209 20.1268 21.8937 21.8972 23.0180 23.0282 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060 0.5029 ( 611 PWs) bands (ev): -10.0377 -10.0376 -3.8350 -3.8344 0.9213 0.9221 2.5839 2.5881 3.0051 3.0098 9.0135 9.0201 9.8407 9.8442 19.0483 19.0509 20.7387 20.7458 21.3642 21.3682 23.6011 23.6130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060 0.6448 ( 610 PWs) bands (ev): -9.0277 -9.0275 -3.5847 -3.5837 0.0140 0.0154 2.0049 2.0089 2.5093 2.5143 8.2641 8.2700 9.5098 9.5107 17.8473 17.8500 20.1519 20.1570 23.3258 23.3267 23.7410 23.7523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060 0.7866 ( 614 PWs) bands (ev): -8.0644 -8.0641 -3.3065 -3.3050 -1.0181 -1.0164 1.8073 1.8105 2.1409 2.1462 7.5754 7.5811 9.4607 9.4616 16.4691 16.4714 20.1079 20.1133 23.1577 23.1686 24.7688 24.7736 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060 0.9285 ( 612 PWs) bands (ev): -7.4578 -7.4574 -2.7970 -2.7951 -2.0407 -2.0388 1.7914 1.7935 1.9425 1.9478 7.1314 7.1368 9.5896 9.5912 15.5453 15.5474 20.4845 20.4885 22.5030 22.5124 24.8449 24.8463 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060 1.0703 ( 612 PWs) bands (ev): -7.4892 -7.4889 -2.8576 -2.8558 -1.9530 -1.9511 1.7908 1.7929 1.9522 1.9576 7.1546 7.1600 9.5794 9.5810 15.5946 15.5967 20.4517 20.4561 22.5490 22.5585 24.8539 24.8556 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060 1.2122 ( 612 PWs) bands (ev): -8.1426 -8.1423 -3.3380 -3.3365 -0.9221 -0.9205 1.8143 1.8176 2.1682 2.1734 7.6321 7.6378 9.4537 9.4545 16.5849 16.5873 20.0869 20.0923 23.2180 23.2290 24.7037 24.7081 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060-0.6319 ( 609 PWs) bands (ev): -9.1213 -9.1212 -3.6063 -3.6053 0.1032 0.1045 2.0398 2.0439 2.5494 2.5544 8.3306 8.3366 9.5294 9.5305 17.9738 17.9765 20.1892 20.1943 23.1682 23.1684 23.7444 23.7562 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060-0.4900 ( 611 PWs) bands (ev): -10.1244 -10.1243 -3.8600 -3.8595 0.9949 0.9956 2.6569 2.6610 3.0564 3.0611 9.0842 9.0908 9.8807 9.8845 19.1203 19.1228 20.7251 20.7322 21.2739 21.2782 23.5552 23.5670 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060-0.3482 ( 599 PWs) bands (ev): -10.9713 -10.9713 -4.1519 -4.1517 1.6900 1.6901 3.5953 3.5990 3.7110 3.7152 9.8946 9.9022 10.3755 10.3818 18.2458 18.2475 20.1227 20.1283 21.9528 21.9563 22.9918 23.0016 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060-0.2063 ( 595 PWs) bands (ev): -11.5686 -11.5686 -4.4141 -4.4140 2.1267 2.1269 4.5094 4.5131 4.5527 4.5562 10.6802 10.6889 10.8813 10.8897 16.2221 16.2226 19.6762 19.6781 22.3224 22.3261 23.3287 23.3329 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060-0.0645 ( 590 PWs) bands (ev): -11.8696 -11.8696 -4.5639 -4.5639 2.3109 2.3109 5.1463 5.1498 5.1580 5.1616 11.1946 11.2041 11.2173 11.2268 14.9338 14.9339 19.0057 19.0059 22.7625 22.7651 23.7187 23.7210 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060 0.0774 ( 592 PWs) bands (ev): -11.8551 -11.8551 -4.5565 -4.5564 2.3027 2.3028 5.1102 5.1138 5.1264 5.1300 11.1672 11.1767 11.1995 11.2090 15.0017 15.0018 19.0443 19.0447 22.7275 22.7304 23.6987 23.7010 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.1060 0.2192 ( 597 PWs) bands (ev): -11.5261 -11.5261 -4.3939 -4.3938 2.0984 2.0986 4.4351 4.4388 4.4753 4.4788 10.6153 10.6238 10.8390 10.8471 16.3868 16.3873 19.7467 19.7488 22.2873 22.2910 23.2791 23.2836 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105 0.4513 ( 611 PWs) bands (ev): -10.1306 -10.1305 -4.5960 -4.5956 1.1253 1.1263 2.7332 2.7351 3.6554 3.6579 9.5503 9.5545 10.7205 10.7222 18.7837 18.7860 20.1003 20.1048 21.3835 21.3864 23.4786 23.4882 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105 0.5932 ( 610 PWs) bands (ev): -9.2099 -9.2097 -4.2558 -4.2550 0.3084 0.3093 2.2039 2.2066 2.8949 2.8992 8.9061 8.9115 9.9948 9.9957 18.0248 18.0276 20.6102 20.6172 22.2632 22.2652 23.7033 23.7122 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105 0.7351 ( 610 PWs) bands (ev): -8.2998 -8.2995 -3.8973 -3.8959 -0.4855 -0.4839 1.8721 1.8751 2.3354 2.3407 8.2257 8.2320 9.5100 9.5112 16.8081 16.8105 20.5519 20.5589 23.2266 23.2362 24.0370 24.0411 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105 0.8769 ( 612 PWs) bands (ev): -7.6582 -7.6579 -3.4056 -3.4038 -1.3358 -1.3337 1.7499 1.7525 2.0544 2.0596 7.6210 7.6273 9.3882 9.3898 15.7850 15.7872 20.8823 20.8888 22.8336 22.8433 24.3889 24.3958 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105 1.0188 ( 609 PWs) bands (ev): -7.4916 -7.4912 -3.1307 -3.1287 -1.7117 -1.7094 1.7123 1.7150 2.0147 2.0196 7.4436 7.4497 9.3905 9.3921 15.4888 15.4909 21.0496 21.0547 22.7075 22.7172 24.2894 24.2944 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105 1.1606 ( 607 PWs) bands (ev): -7.8439 -7.8435 -3.6005 -3.5989 -1.0317 -1.0298 1.7834 1.7861 2.1199 2.1253 7.8082 7.8146 9.4031 9.4046 16.0977 16.0999 20.7446 20.7515 22.9612 22.9708 24.4114 24.4191 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105 1.3025 ( 610 PWs) bands (ev): -8.6143 -8.6141 -4.0375 -4.0363 -0.1878 -0.1864 1.9607 1.9637 2.5110 2.5161 8.4809 8.4870 9.6396 9.6405 17.2593 17.2618 20.5125 20.5194 23.2673 23.2752 23.6573 23.6602 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105-0.5416 ( 610 PWs) bands (ev): -9.5547 -9.5545 -4.3773 -4.3767 0.5925 0.5934 2.3845 2.3869 3.1525 3.1562 9.1376 9.1425 10.2495 10.2507 18.4002 18.4030 20.7199 20.7276 21.5685 21.5708 23.7176 23.7272 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105-0.3998 ( 607 PWs) bands (ev): -10.4314 -10.4314 -4.7231 -4.7227 1.4563 1.4574 2.9354 2.9371 3.9596 3.9614 9.8002 9.8039 10.9807 10.9826 18.5615 18.5637 19.7681 19.7735 21.6457 21.6491 23.2077 23.2168 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105-0.2579 ( 602 PWs) bands (ev): -11.1064 -11.1064 -5.0470 -5.0468 2.3848 2.3861 3.5060 3.5074 4.7307 4.7312 10.5394 10.5417 11.5737 11.5754 16.7841 16.7848 19.6752 19.6782 22.1317 22.1346 22.7234 22.7291 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105-0.1161 ( 593 PWs) bands (ev): -11.5094 -11.5094 -5.2666 -5.2666 2.9750 2.9758 4.2655 4.2664 5.0935 5.0935 11.2651 11.2656 11.8380 11.8384 15.4000 15.4000 19.0838 19.0840 22.3144 22.3164 23.0834 23.0842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105 0.0258 ( 594 PWs) bands (ev): -11.6086 -11.6086 -5.3236 -5.3236 3.0936 3.0939 4.7569 4.7573 4.9593 4.9595 11.6169 11.6198 11.7599 11.7628 15.0317 15.0318 18.8262 18.8266 22.5054 22.5079 23.2007 23.2030 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105 0.1676 ( 596 PWs) bands (ev): -11.3970 -11.3970 -5.2034 -5.2033 2.8236 2.8247 3.9639 3.9651 5.0346 5.0348 11.0144 11.0157 11.7921 11.7932 15.8044 15.8046 19.3214 19.3223 22.2037 22.2056 22.9566 22.9589 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2105 0.3095 ( 607 PWs) bands (ev): -10.8898 -10.8898 -4.9370 -4.9368 2.0591 2.0604 3.2889 3.2904 4.4754 4.4763 10.2641 10.2670 11.3858 11.3876 17.4500 17.4511 19.7459 19.7501 22.0517 22.0554 22.7552 22.7631 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149 0.5416 ( 608 PWs) bands (ev): -9.2740 -9.2739 -4.9828 -4.9822 -0.0489 -0.0477 2.6492 2.6510 3.7680 3.7702 9.2957 9.2988 11.0076 11.0081 18.1853 18.1880 20.5361 20.5409 20.9906 20.9931 23.6746 23.6805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149 0.6835 ( 609 PWs) bands (ev): -8.5318 -8.5316 -4.5584 -4.5575 -0.4088 -0.4077 2.2044 2.2067 2.8880 2.8918 8.7234 8.7283 10.0953 10.0965 17.3841 17.3868 20.6873 20.6957 22.5267 22.5315 23.3617 23.3661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149 0.8253 ( 609 PWs) bands (ev): -8.0352 -8.0348 -3.9718 -3.9704 -0.7378 -0.7362 1.9190 1.9221 2.2657 2.2713 8.1152 8.1214 9.5395 9.5413 16.5151 16.5175 20.7163 20.7239 22.9226 22.9313 24.1082 24.1145 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149 0.9672 ( 608 PWs) bands (ev): -7.8516 -7.8512 -3.4850 -3.4833 -1.0719 -1.0699 1.7328 1.7354 2.1158 2.1211 7.7572 7.7636 9.3683 9.3697 16.0565 16.0587 20.7023 20.7089 23.0606 23.0708 24.4545 24.4606 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149 1.1090 ( 604 PWs) bands (ev): -7.9348 -7.9344 -3.7466 -3.7450 -0.8839 -0.8821 1.8313 1.8343 2.1687 2.1742 7.9338 7.9401 9.4431 9.4447 16.2793 16.2815 20.7146 20.7218 22.9666 22.9758 24.3347 24.3423 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149 1.2509 ( 610 PWs) bands (ev): -8.3144 -8.3141 -4.3642 -4.3631 -0.5151 -0.5138 2.0860 2.0886 2.6125 2.6170 8.5002 8.5057 9.8392 9.8408 17.0496 17.0521 20.6959 20.7042 22.8748 22.8828 23.4755 23.4794 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149 1.3927 ( 610 PWs) bands (ev): -8.9885 -8.9883 -4.8418 -4.8411 -0.2059 -0.2047 2.4699 2.4719 3.4387 3.4414 9.0911 9.0948 10.6580 10.6586 17.9330 17.9357 20.7233 20.7319 21.4101 21.4126 23.5764 23.5821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149-0.4513 ( 608 PWs) bands (ev): -9.7758 -9.7757 -5.2155 -5.2151 0.3424 0.3436 2.9874 2.9891 4.3241 4.3256 9.6671 9.6695 11.5895 11.5899 18.3550 18.3571 19.5337 19.5369 21.2221 21.2267 23.6227 23.6286 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149-0.3095 ( 612 PWs) bands (ev): -10.4702 -10.4701 -5.5589 -5.5587 1.2816 1.2829 3.5002 3.5020 4.9839 4.9846 10.3283 10.3296 12.2523 12.2527 17.1657 17.1662 19.3492 19.3523 21.8188 21.8214 22.8720 22.8762 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149-0.1676 ( 605 PWs) bands (ev): -10.9475 -10.9475 -5.8251 -5.8250 2.4912 2.4929 3.8874 3.8896 5.0777 5.0778 11.0906 11.0912 12.4351 12.4352 16.1086 16.1087 19.2883 19.2898 22.0366 22.0377 22.3033 22.3039 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149-0.0258 ( 603 PWs) bands (ev): -11.1489 -11.1489 -5.9455 -5.9454 3.4820 3.4841 4.2102 4.2131 4.5104 4.5133 11.8231 11.8282 12.1062 12.1109 15.7940 15.7943 18.9392 18.9407 21.9081 21.9097 22.4897 22.4935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149 0.1161 ( 604 PWs) bands (ev): -11.0544 -11.0544 -5.8884 -5.8883 2.9312 2.9333 3.9924 3.9949 4.9285 4.9291 11.3750 11.3760 12.3665 12.3672 15.9225 15.9228 19.1454 19.1467 21.9314 21.9323 22.4056 22.4076 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149 0.2579 ( 613 PWs) bands (ev): -10.6730 -10.6730 -5.6687 -5.6686 1.7034 1.7048 3.6594 3.6614 5.1004 5.1008 10.5964 10.5973 12.3811 12.3814 16.6932 16.6935 19.3863 19.3888 22.0175 22.0195 22.5069 22.5105 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3149 0.3998 ( 610 PWs) bands (ev): -10.0474 -10.0473 -5.3446 -5.3443 0.6401 0.6413 3.1820 3.1838 4.6072 4.6084 9.8946 9.8966 11.8760 11.8764 18.0697 18.0711 19.2973 19.3010 21.4345 21.4384 23.4353 23.4407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194 0.6319 ( 610 PWs) bands (ev): -8.7587 -8.7585 -5.0449 -5.0443 -0.7432 -0.7420 2.5121 2.5141 3.9396 3.9413 8.8439 8.8469 11.0268 11.0278 18.0486 18.0516 20.5972 20.6045 20.9237 20.9259 23.5213 23.5269 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194 0.7737 ( 610 PWs) bands (ev): -8.5336 -8.5333 -4.2881 -4.2871 -0.6311 -0.6300 2.1806 2.1830 2.9582 2.9612 8.3194 8.3239 10.0612 10.0622 17.5518 17.5545 20.3320 20.3389 22.5855 22.5907 23.5238 23.5299 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194 0.9156 ( 607 PWs) bands (ev): -8.4821 -8.4818 -3.5826 -3.5813 -0.5461 -0.5447 1.9408 1.9445 2.3463 2.3515 7.9394 7.9451 9.5224 9.5230 17.1449 17.1475 20.0908 20.0963 23.3520 23.3623 24.1342 24.1370 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194 1.0574 ( 606 PWs) bands (ev): -8.4810 -8.4808 -3.5427 -3.5414 -0.5440 -0.5425 1.9186 1.9224 2.3274 2.3326 7.9199 7.9256 9.4992 9.4997 17.1243 17.1268 20.0781 20.0836 23.3766 23.3871 24.1859 24.1887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194 1.1993 ( 610 PWs) bands (ev): -8.5240 -8.5237 -4.2139 -4.2129 -0.6189 -0.6178 2.1594 2.1619 2.8771 2.8803 8.2762 8.2808 9.9913 9.9923 17.5055 17.5083 20.3058 20.3125 22.7047 22.7103 23.5540 23.5598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194 1.3411 ( 611 PWs) bands (ev): -8.7277 -8.7275 -4.9846 -4.9839 -0.7395 -0.7383 2.4734 2.4754 3.8496 3.8514 8.7935 8.7966 10.9292 10.9303 18.0092 18.0122 20.5772 20.5847 21.0851 21.0876 23.5071 23.5129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194 1.4830 ( 609 PWs) bands (ev): -9.1766 -9.1765 -5.5394 -5.5390 -0.6123 -0.6111 2.9770 2.9789 4.7540 4.7550 9.3737 9.3757 11.9820 11.9827 18.2502 18.2528 19.3804 19.3832 20.8735 20.8794 23.5933 23.5972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194-0.3611 ( 610 PWs) bands (ev): -9.7431 -9.7430 -5.9310 -5.9308 0.0054 0.0066 3.5642 3.5661 5.2765 5.2769 10.0274 10.0288 12.7239 12.7241 17.4419 17.4426 18.9491 18.9512 21.2398 21.2420 23.2999 23.3016 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194-0.2192 ( 612 PWs) bands (ev): -10.2251 -10.2251 -6.2284 -6.2283 1.1075 1.1088 4.0654 4.0675 5.1109 5.1114 10.7802 10.7814 12.8834 12.8835 16.7772 16.7774 19.0952 19.0975 21.5395 21.5407 22.5529 22.5545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194-0.0774 ( 612 PWs) bands (ev): -10.4979 -10.4979 -6.4010 -6.4009 2.4924 2.4941 3.9974 4.0013 4.5440 4.5485 11.6056 11.6081 12.4727 12.4741 16.8517 16.8523 19.0344 19.0377 21.5912 21.5951 21.8998 21.9061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194 0.0645 ( 609 PWs) bands (ev): -10.5101 -10.5101 -6.4089 -6.4087 2.6196 2.6213 3.9089 3.9126 4.5375 4.5418 11.6790 11.6819 12.4159 12.4177 16.8717 16.8724 19.0183 19.0217 21.5825 21.5865 21.8790 21.8855 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194 0.2063 ( 611 PWs) bands (ev): -10.2597 -10.2597 -6.2500 -6.2499 1.2259 1.2272 4.0991 4.1013 5.0579 5.0586 10.8536 10.8549 12.8671 12.8672 16.7590 16.7592 19.1030 19.1053 21.5570 21.5584 22.4722 22.4742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194 0.3482 ( 609 PWs) bands (ev): -9.7929 -9.7929 -5.9619 -5.9617 0.0875 0.0887 3.6161 3.6181 5.2935 5.2939 10.0915 10.0928 12.7646 12.7647 17.3500 17.3506 18.9598 18.9619 21.2729 21.2749 23.2503 23.2518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.4194 0.4900 ( 610 PWs) bands (ev): -9.2265 -9.2264 -5.5799 -5.5795 -0.5782 -0.5770 3.0292 3.0311 4.8221 4.8231 9.4297 9.4316 12.0680 12.0687 18.2322 18.2347 19.2673 19.2702 20.9044 20.9100 23.5850 23.5887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254-0.2708 ( 608 PWs) bands (ev): -9.0673 -9.0671 -4.3265 -4.3259 -0.8847 -0.8835 2.4119 2.4142 4.0878 4.0894 8.1872 8.1903 10.7288 10.7299 18.6508 18.6543 20.3760 20.3828 20.9589 20.9625 23.6855 23.6937 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254-0.1290 ( 604 PWs) bands (ev): -9.1976 -9.1974 -3.4577 -3.4569 -0.4565 -0.4554 2.2384 2.2414 3.0380 3.0406 7.9724 7.9767 9.7613 9.7624 18.4620 18.4649 19.9936 19.9983 22.4364 22.4400 23.7650 23.7750 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254 0.0129 ( 606 PWs) bands (ev): -9.2473 -9.2471 -3.1301 -3.1291 -0.2333 -0.2320 2.1802 2.1851 2.5978 2.6023 7.9405 7.9457 9.4089 9.4102 18.3676 18.3704 19.8591 19.8630 23.1351 23.1362 23.6615 23.6729 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254 0.1547 ( 605 PWs) bands (ev): -9.1772 -9.1771 -3.5905 -3.5897 -0.5333 -0.5322 2.2578 2.2605 3.2096 3.2119 7.9935 7.9976 9.9044 9.9055 18.4969 18.4999 20.0509 20.0558 22.1978 22.2014 23.7644 23.7742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254 0.2966 ( 607 PWs) bands (ev): -9.0439 -9.0438 -4.5020 -4.5014 -0.9544 -0.9532 2.4658 2.4681 4.2835 4.2850 8.2531 8.2559 10.9363 10.9374 18.6756 18.6792 20.4467 20.4545 20.6701 20.6742 23.6617 23.6693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254 0.4385 ( 609 PWs) bands (ev): -8.9911 -8.9910 -5.3920 -5.3916 -1.1822 -1.1810 2.8952 2.8974 5.1937 5.1945 8.7463 8.7484 12.0648 12.0656 18.6078 18.6116 19.2408 19.2447 20.7688 20.7744 23.5017 23.5061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254 0.5803 ( 611 PWs) bands (ev): -9.1493 -9.1493 -6.0310 -6.0308 -0.9607 -0.9596 3.4792 3.4815 5.5772 5.5774 9.4136 9.4155 12.8639 12.8641 17.7568 17.7578 18.9485 18.9495 20.9129 20.9146 23.2294 23.2316 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254-1.2638 ( 609 PWs) bands (ev): -9.4528 -9.4528 -6.4356 -6.4355 -0.1618 -0.1606 4.0550 4.0574 5.1807 5.1814 10.2070 10.2089 13.0447 13.0449 17.3967 17.3975 18.9813 18.9830 20.9744 20.9769 22.8193 22.8214 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254-1.1219 ( 609 PWs) bands (ev): -9.7111 -9.7110 -6.6709 -6.6707 1.1223 1.1235 3.8900 3.8935 4.6154 4.6198 11.0911 11.0930 12.6283 12.6289 17.7483 17.7497 19.0543 19.0579 21.0024 21.0068 22.2253 22.2289 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254-0.9801 ( 610 PWs) bands (ev): -9.7964 -9.7963 -6.7412 -6.7410 2.3239 2.3259 2.7429 2.7457 4.7118 4.7153 11.7953 11.8015 12.0344 12.0394 18.0489 18.0510 19.0724 19.0775 21.0095 21.0138 21.8736 21.8791 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254-0.8382 ( 608 PWs) bands (ev): -9.6746 -9.6745 -6.6400 -6.6398 0.8622 0.8634 4.0904 4.0947 4.6057 4.6106 10.9263 10.9282 12.7387 12.7392 17.6560 17.6572 19.0434 19.0466 20.9990 21.0033 22.3418 22.3450 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254-0.6964 ( 610 PWs) bands (ev): -9.3957 -9.3956 -6.3756 -6.3755 -0.3483 -0.3472 3.9615 3.9638 5.3119 5.3123 10.0547 10.0566 13.0611 13.0613 17.3994 17.4001 18.9693 18.9706 20.9665 20.9684 22.9067 22.9087 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254-0.5545 ( 612 PWs) bands (ev): -9.1048 -9.1047 -5.9348 -5.9346 -1.0433 -1.0421 3.3679 3.3701 5.5609 5.5612 9.2819 9.2838 12.7597 12.7600 17.9072 17.9084 18.9555 18.9570 20.8949 20.8975 23.2883 23.2908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6254-0.4127 ( 607 PWs) bands (ev): -8.9871 -8.9869 -5.2460 -5.2456 -1.1672 -1.1660 2.8021 2.8043 5.0579 5.0588 8.6418 8.6440 11.8722 11.8731 18.6707 18.6746 19.4394 19.4430 20.7267 20.7327 23.5374 23.5424 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209-0.1805 ( 606 PWs) bands (ev): -9.8576 -9.8575 -3.1529 -3.1524 -0.7228 -0.7216 2.4749 2.4774 4.1577 4.1592 7.7720 7.7750 10.1544 10.1560 19.6636 19.6668 20.4087 20.4149 20.8512 20.8548 23.7302 23.7402 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209-0.0387 ( 607 PWs) bands (ev): -10.0130 -10.0129 -2.6319 -2.6311 -0.2828 -0.2816 2.6645 2.6684 3.1285 3.1308 8.0460 8.0504 9.2693 9.2715 19.6511 19.6536 20.2950 20.2983 21.7360 21.7374 23.4914 23.5025 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209 0.1032 ( 610 PWs) bands (ev): -9.9661 -9.9660 -2.7907 -2.7900 -0.4404 -0.4392 2.5264 2.5293 3.5459 3.5476 7.9118 7.9155 9.5888 9.5906 19.6655 19.6682 20.3463 20.3502 21.3957 21.3980 23.6096 23.6203 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209 0.2450 ( 609 PWs) bands (ev): -9.7305 -9.7303 -3.5626 -3.5621 -0.9681 -0.9668 2.5150 2.5176 4.6762 4.6775 7.7345 7.7372 10.6879 10.6892 19.6153 19.6190 20.0797 20.0829 20.7734 20.7751 23.7509 23.7600 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209 0.3869 ( 606 PWs) bands (ev): -9.3830 -9.3829 -4.6013 -4.6010 -1.3984 -1.3972 2.8145 2.8171 5.5847 5.5854 7.9467 7.9491 11.8355 11.8363 18.8391 18.8394 19.5312 19.5353 21.0011 21.0045 23.5402 23.5467 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209 0.5287 ( 611 PWs) bands (ev): -9.0657 -9.0656 -5.5576 -5.5574 -1.5069 -1.5057 3.3200 3.3227 5.8435 5.8435 8.5068 8.5091 12.6305 12.6306 18.1002 18.1005 19.3614 19.3641 20.9327 20.9332 23.1497 23.1544 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209 0.6706 ( 611 PWs) bands (ev): -8.9207 -8.9207 -6.2584 -6.2581 -1.0898 -1.0886 3.8845 3.8873 5.2616 5.2622 9.3006 9.3030 12.8366 12.8370 18.0362 18.0379 19.2487 19.2522 20.7207 20.7255 22.7243 22.7286 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209-1.1735 ( 609 PWs) bands (ev): -8.9455 -8.9454 -6.6731 -6.6728 -0.0889 -0.0876 3.8232 3.8271 4.5060 4.5106 10.2164 10.2185 12.5089 12.5100 18.2419 18.2453 19.4573 19.4628 20.6768 20.6836 22.2500 22.2537 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209-1.0317 ( 607 PWs) bands (ev): -8.9987 -8.9985 -6.8422 -6.8419 1.3525 1.3540 2.2620 2.2640 4.6921 4.6956 11.0504 11.0526 11.9173 11.9207 18.2021 18.2039 20.1346 20.1376 20.6871 20.6919 21.8157 21.8197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209-0.8898 ( 605 PWs) bands (ev): -8.9801 -8.9799 -6.7932 -6.7929 0.6587 0.6600 3.0042 3.0064 4.6254 4.6291 10.7124 10.7142 12.1853 12.1872 18.2289 18.2314 19.8394 19.8435 20.6979 20.7039 21.9832 21.9866 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209-0.7479 ( 609 PWs) bands (ev): -8.9212 -8.9210 -6.5179 -6.5176 -0.6111 -0.6099 4.1017 4.1054 4.6856 4.6886 9.7927 9.7950 12.7119 12.7125 18.1753 18.1784 19.2781 19.2834 20.6719 20.6784 22.4728 22.4768 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209-0.6061 ( 613 PWs) bands (ev): -8.9606 -8.9606 -5.9762 -5.9760 -1.3534 -1.3522 3.6331 3.6358 5.6270 5.6272 8.9179 8.9203 12.8186 12.8188 17.9860 17.9868 19.2911 19.2934 20.8091 20.8115 22.9214 22.9258 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209-0.4642 ( 608 PWs) bands (ev): -9.1954 -9.1954 -5.1480 -5.1478 -1.5119 -1.5107 3.0726 3.0753 5.8261 5.8265 8.2162 8.2184 12.3343 12.3347 18.3589 18.3592 19.4313 19.4348 21.0025 21.0048 23.3353 23.3406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.5209-0.3224 ( 612 PWs) bands (ev): -9.5470 -9.5469 -4.1224 -4.1221 -1.2297 -1.2284 2.6461 2.6487 5.2303 5.2313 7.8013 7.8037 11.3352 11.3363 19.3166 19.3178 19.6425 19.6464 20.9198 20.9232 23.6728 23.6805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164-0.0903 ( 609 PWs) bands (ev): -10.6630 -10.6629 -2.0617 -2.0612 -0.6980 -0.6969 2.9588 2.9611 4.1604 4.1617 8.0052 8.0078 9.5034 9.5052 19.8302 19.8327 20.8984 20.9050 21.1935 21.1967 23.2082 23.2184 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164 0.0516 ( 609 PWs) bands (ev): -10.6978 -10.6977 -1.9849 -1.9844 -0.6285 -0.6275 3.1463 3.1486 3.8508 3.8522 8.1973 8.2002 9.2327 9.2348 20.0096 20.0125 20.9156 20.9225 21.1260 21.1302 23.1266 23.1370 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164 0.1934 ( 610 PWs) bands (ev): -10.4816 -10.4816 -2.4798 -2.4794 -0.9886 -0.9874 2.6831 2.6856 5.0023 5.0033 7.5658 7.5683 10.3418 10.3433 19.1923 19.1940 20.7320 20.7380 21.4333 21.4352 23.4889 23.4987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164 0.3353 ( 607 PWs) bands (ev): -10.0507 -10.0506 -3.4490 -3.4488 -1.4084 -1.4071 2.7428 2.7457 5.8809 5.8815 7.3548 7.3572 11.4272 11.4280 18.4440 18.4446 20.3527 20.3589 21.5733 21.5748 23.6117 23.6205 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164 0.4771 ( 607 PWs) bands (ev): -9.4914 -9.4914 -4.5360 -4.5359 -1.6705 -1.6692 3.1100 3.1131 6.0276 6.0277 7.6357 7.6383 12.1250 12.1251 18.2780 18.2781 19.9668 19.9726 21.2483 21.2489 23.2833 23.2910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164 0.6190 ( 609 PWs) bands (ev): -8.9431 -8.9430 -5.4837 -5.4834 -1.5801 -1.5788 3.5981 3.6012 5.3159 5.3163 8.2914 8.2942 12.2997 12.3003 18.7013 18.7034 19.6409 19.6464 20.7145 20.7204 22.7642 22.7714 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164 0.7608 ( 614 PWs) bands (ev): -8.5466 -8.5464 -6.1763 -6.1758 -0.9570 -0.9557 3.7607 3.7656 4.2562 4.2611 9.1320 9.1342 12.0910 12.0919 18.5650 18.5691 19.9510 19.9563 20.7088 20.7157 22.1761 22.1829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164-1.0832 ( 609 PWs) bands (ev): -8.3516 -8.3513 -6.5597 -6.5591 0.2107 0.2122 2.2367 2.2386 4.4309 4.4344 9.8881 9.8896 11.7402 11.7431 18.0271 18.0291 20.4044 20.4076 21.2264 21.2316 21.8561 21.8591 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164-0.9414 ( 609 PWs) bands (ev): -8.3298 -8.3295 -6.6065 -6.6059 0.5998 0.6014 1.7893 1.7910 4.4664 4.4698 10.0147 10.0165 11.6678 11.6713 17.9469 17.9487 20.4855 20.4886 21.2115 21.2166 21.9330 21.9353 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164-0.7995 ( 614 PWs) bands (ev): -8.4741 -8.4739 -6.3130 -6.3125 -0.6877 -0.6863 3.4113 3.4148 4.2732 4.2773 9.3626 9.3646 11.9977 11.9989 18.3993 18.4026 20.1052 20.1075 20.8608 20.8652 22.0250 22.0313 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164-0.6577 ( 610 PWs) bands (ev): -8.8156 -8.8155 -5.7008 -5.7005 -1.4675 -1.4662 3.7251 3.7283 5.0037 5.0043 8.5110 8.5137 12.2712 12.2719 18.7931 18.7971 19.6138 19.6210 20.6331 20.6405 22.6070 22.6141 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164-0.5158 ( 608 PWs) bands (ev): -9.3341 -9.3340 -4.8149 -4.8147 -1.6901 -1.6888 3.2387 3.2418 5.9128 5.9130 7.7851 7.7878 12.2225 12.2229 18.3531 18.3531 19.8716 19.8770 21.0951 21.0969 23.1528 23.1603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164-0.3740 ( 605 PWs) bands (ev): -9.9059 -9.9058 -3.7481 -3.7480 -1.5025 -1.5012 2.8208 2.8238 6.0076 6.0079 7.3846 7.3871 11.6670 11.6675 18.3293 18.3296 20.2421 20.2483 21.5325 21.5337 23.5566 23.5650 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4164-0.2321 ( 613 PWs) bands (ev): -10.3828 -10.3827 -2.7103 -2.7100 -1.1098 -1.1086 2.6566 2.6593 5.2912 5.2921 7.4588 7.4612 10.6588 10.6601 18.9520 18.9533 20.6390 20.6451 21.5075 21.5093 23.5701 23.5796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3120 0.0000 ( 601 PWs) bands (ev): -11.2825 -11.2824 -1.1951 -1.1941 -1.1847 -1.1828 4.0511 4.0526 4.1161 4.1202 8.7640 8.7653 9.1257 9.1269 18.6851 18.6863 21.4902 21.4920 21.6684 21.6751 22.9326 22.9408 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3120 0.1419 ( 601 PWs) bands (ev): -11.1408 -11.1407 -1.5190 -1.5186 -1.1954 -1.1942 3.1329 3.1349 5.2346 5.2356 7.9340 7.9360 10.0810 10.0824 18.2757 18.2769 21.4671 21.4749 22.0267 22.0311 22.9938 23.0027 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3120 0.2837 ( 601 PWs) bands (ev): -10.7308 -10.7307 -2.3035 -2.3033 -1.3577 -1.3564 2.7376 2.7403 6.0444 6.0447 7.3184 7.3206 11.0160 11.0165 17.8820 17.8825 21.0156 21.0230 22.3333 22.3346 23.3773 23.3871 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3120 0.4256 ( 607 PWs) bands (ev): -10.1028 -10.1028 -3.3407 -3.3405 -1.5654 -1.5640 2.8380 2.8411 6.0733 6.0736 7.2116 7.2142 11.5243 11.5248 18.2204 18.2207 20.5107 20.5177 21.7246 21.7255 23.5239 23.5334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3120 0.5674 ( 611 PWs) bands (ev): -9.3553 -9.3552 -4.3558 -4.3554 -1.6468 -1.6454 3.1863 3.1896 5.2846 5.2851 7.5714 7.5742 11.5824 11.5834 19.2511 19.2521 19.9441 19.9493 20.7852 20.7896 23.1268 23.1357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3120 0.7093 ( 619 PWs) bands (ev): -8.6396 -8.6395 -5.1893 -5.1888 -1.3814 -1.3798 3.5021 3.5065 4.0318 4.0344 8.1814 8.1838 11.4225 11.4235 18.8695 18.8730 20.1026 20.1056 20.9260 20.9276 22.4859 22.4947 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3120 0.8511 ( 613 PWs) bands (ev): -8.1219 -8.1216 -5.7548 -5.7540 -0.6168 -0.6151 2.3026 2.3049 3.9570 3.9603 8.7411 8.7426 11.3089 11.3112 17.9557 17.9578 19.9834 19.9883 21.4906 21.4971 22.6854 22.6884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.3120-0.9930 ( 610 PWs) bands (ev): -7.9292 -7.9288 -5.9644 -5.9635 0.3508 0.3532 1.0488 1.0489 4.0607 4.0637 8.9579 8.9596 11.3005 11.3040 17.5677 17.5690 20.0571 20.0579 21.1642 21.1673 23.4328 23.4346 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075 0.0903 ( 591 PWs) bands (ev): -11.6359 -11.6358 -1.9905 -1.9902 -0.4036 -0.4034 3.9184 3.9196 5.3378 5.3387 8.7698 8.7715 10.0326 10.0338 17.1963 17.1971 21.1541 21.1561 22.0888 22.0939 23.4578 23.4619 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075 0.2321 ( 601 PWs) bands (ev): -11.2976 -11.2975 -2.1458 -2.1455 -0.6778 -0.6773 3.0346 3.0365 6.0312 6.0314 7.9191 7.9207 10.7458 10.7461 17.2143 17.2147 21.3428 21.3497 22.5981 22.6048 23.1204 23.1223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075 0.3740 ( 607 PWs) bands (ev): -10.6913 -10.6913 -2.5910 -2.5908 -1.0632 -1.0621 2.6705 2.6730 5.9294 5.9299 7.4494 7.4515 11.0017 11.0025 17.9842 17.9849 20.8781 20.8847 22.2298 22.2313 23.4714 23.4806 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075 0.5158 ( 613 PWs) bands (ev): -9.8822 -9.8821 -3.3262 -3.3258 -1.3215 -1.3201 2.7287 2.7317 5.1053 5.1062 7.4261 7.4287 10.8757 10.8771 19.4726 19.4738 20.1837 20.1889 20.9821 20.9843 23.5669 23.5761 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075 0.6577 ( 610 PWs) bands (ev): -8.9899 -8.9898 -4.0945 -4.0938 -1.3502 -1.3485 2.9594 2.9628 3.8900 3.8911 7.6752 7.6778 10.6660 10.6673 19.0895 19.0926 19.9878 19.9929 21.2799 21.2840 23.0857 23.0948 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075 0.7995 ( 609 PWs) bands (ev): -8.2050 -8.2047 -4.6984 -4.6975 -1.0353 -1.0333 2.3740 2.3773 3.3327 3.3361 7.9054 7.9076 10.6769 10.6788 17.9351 17.9373 19.5429 19.5477 21.9287 21.9359 23.4200 23.4231 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075 0.9414 ( 613 PWs) bands (ev): -7.7616 -7.7612 -5.0203 -5.0191 -0.4149 -0.4124 1.1914 1.1927 3.4563 3.4592 7.9723 7.9743 10.8575 10.8604 17.2110 17.2124 19.5175 19.5198 21.3677 21.3721 24.6112 24.6129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075-0.9027 ( 615 PWs) bands (ev): -7.8359 -7.8356 -4.9668 -4.9657 -0.5838 -0.5814 1.4544 1.4563 3.4337 3.4367 7.9656 7.9676 10.8158 10.8185 17.3372 17.3388 19.5036 19.5070 21.4836 21.4891 24.3721 24.3742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075-0.7608 ( 608 PWs) bands (ev): -8.3952 -8.3949 -4.5571 -4.5563 -1.1609 -1.1590 2.7192 2.7235 3.3076 3.3114 7.8591 7.8614 10.6443 10.6458 18.2277 18.2301 19.6135 19.6186 22.0313 22.0382 23.0791 23.0840 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075-0.6190 ( 611 PWs) bands (ev): -9.2319 -9.2318 -3.8952 -3.8947 -1.3712 -1.3695 2.8969 2.9001 4.2398 4.2407 7.5963 7.5989 10.7116 10.7129 19.4145 19.4182 20.1957 20.2010 20.8046 20.8087 23.2443 23.2535 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075-0.4771 ( 610 PWs) bands (ev): -10.1173 -10.1173 -3.1109 -3.1105 -1.2703 -1.2690 2.6845 2.6874 5.3830 5.3839 7.3951 7.3976 10.9331 10.9343 19.0198 19.0210 20.4033 20.4092 21.3251 21.3270 23.6151 23.6244 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075-0.3353 ( 604 PWs) bands (ev): -10.8803 -10.8803 -2.4338 -2.4337 -0.9632 -0.9623 2.7187 2.7211 6.0408 6.0411 7.5309 7.5328 10.9786 10.9791 17.6893 17.6898 21.0244 21.0312 22.5260 22.5275 23.3010 23.3098 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075-0.1934 ( 598 PWs) bands (ev): -11.4181 -11.4181 -2.0819 -2.0816 -0.5818 -0.5814 3.2286 3.2303 5.9115 5.9119 8.1220 8.1236 10.5920 10.5926 17.1522 17.1527 21.4092 21.4152 22.3262 22.3315 23.2632 23.2657 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2075-0.0516 ( 593 PWs) bands (ev): -11.6772 -11.6771 -1.9766 -1.9763 -0.3703 -0.3701 4.2202 4.2213 5.0550 5.0562 9.0343 9.0362 9.7838 9.7854 17.2384 17.2391 21.0079 21.0099 22.1193 22.1253 23.4815 23.4859 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545 0.2708 ( 607 PWs) bands (ev): -10.9717 -10.9716 -3.5775 -3.5772 0.4099 0.4101 2.6020 2.6029 5.8675 5.8675 8.5132 8.5142 11.3165 11.3165 17.2347 17.2349 20.4581 20.4621 22.6583 22.6584 23.3089 23.3136 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545 0.4127 ( 608 PWs) bands (ev): -10.3205 -10.3204 -3.7627 -3.7624 -0.3004 -0.3000 2.3044 2.3058 5.6100 5.6107 8.1679 8.1696 11.3320 11.3329 18.2324 18.2334 19.9717 19.9761 21.8020 21.8041 23.9669 23.9739 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545 0.5545 ( 611 PWs) bands (ev): -9.5159 -9.5158 -4.1188 -4.1183 -0.7643 -0.7634 2.3122 2.3142 4.7226 4.7239 8.1341 8.1367 10.9778 10.9790 19.1222 19.1259 19.9757 19.9778 20.8126 20.8156 23.9176 23.9255 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545 0.6964 ( 614 PWs) bands (ev): -8.7205 -8.7203 -4.4737 -4.4729 -0.9071 -0.9057 2.5090 2.5116 3.5300 3.5321 8.2387 8.2420 10.5401 10.5412 18.1829 18.1860 20.1976 20.2037 21.7310 21.7345 23.4562 23.4641 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545 0.8382 ( 612 PWs) bands (ev): -8.1506 -8.1503 -4.6606 -4.6595 -0.6752 -0.6732 2.0603 2.0632 2.9483 2.9527 8.2958 8.2997 10.3032 10.3055 17.2177 17.2200 20.1999 20.2058 22.3645 22.3727 23.7713 23.7743 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545 0.9801 ( 615 PWs) bands (ev): -7.9369 -7.9365 -4.7008 -4.6995 -0.2768 -0.2744 1.2480 1.2491 3.0416 3.0455 8.2851 8.2891 10.2738 10.2770 16.7576 16.7595 20.4091 20.4132 22.0023 22.0091 24.5539 24.5554 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545 1.1219 ( 611 PWs) bands (ev): -8.0843 -8.0840 -4.6754 -4.6743 -0.5948 -0.5928 1.8615 1.8640 2.9696 2.9738 8.2956 8.2995 10.2886 10.2911 17.0831 17.0853 20.2425 20.2482 22.2853 22.2935 23.9717 23.9745 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545-0.7222 ( 611 PWs) bands (ev): -8.5941 -8.5939 -4.5223 -4.5215 -0.8943 -0.8928 2.5355 2.5383 3.3162 3.3189 8.2567 8.2602 10.4764 10.4776 17.9922 17.9951 20.1593 20.1654 22.0075 22.0115 23.3823 23.3897 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545-0.5803 ( 610 PWs) bands (ev): -9.3645 -9.3644 -4.1900 -4.1895 -0.8152 -0.8142 2.3402 2.3423 4.5189 4.5203 8.1489 8.1517 10.8950 10.8962 18.9856 18.9893 20.2625 20.2655 20.6774 20.6794 23.8514 23.8594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545-0.4385 ( 610 PWs) bands (ev): -10.1820 -10.1819 -3.8176 -3.8173 -0.4073 -0.4068 2.2851 2.2866 5.4860 5.4868 8.1426 8.1445 11.2880 11.2890 18.4874 18.4886 19.8648 19.8693 21.6161 21.6184 24.0052 24.0124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545-0.2966 ( 608 PWs) bands (ev): -10.8695 -10.8695 -3.5969 -3.5966 0.2732 0.2734 2.5212 2.5222 5.8806 5.8807 8.4227 8.4237 11.3556 11.3558 17.3544 17.3547 20.3878 20.3919 22.5342 22.5348 23.4757 23.4809 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545-0.1547 ( 597 PWs) bands (ev): -11.3256 -11.3255 -3.5424 -3.5422 0.9470 0.9471 3.1558 3.1565 5.4703 5.4706 9.0608 9.0621 10.9381 10.9389 17.0383 17.0389 20.5780 20.5811 22.5006 22.5038 23.1395 23.1445 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545-0.0129 ( 595 PWs) bands (ev): -11.5008 -11.5008 -3.5442 -3.5439 1.2238 1.2239 4.2218 4.2230 4.4445 4.4457 9.8667 9.8737 10.2018 10.2083 17.1653 17.1661 20.3468 20.3500 22.2392 22.2436 23.3130 23.3187 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.1545 0.1290 ( 594 PWs) bands (ev): -11.3792 -11.3791 -3.5416 -3.5414 1.0327 1.0328 3.3242 3.3249 5.3160 5.3164 9.2078 9.2094 10.8147 10.8158 17.0539 17.0546 20.5466 20.5496 22.4009 22.4041 23.1932 23.1982 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500 0.3611 ( 606 PWs) bands (ev): -10.6875 -10.6875 -4.1703 -4.1700 0.8404 0.8408 2.6266 2.6272 5.1011 5.1017 9.0611 9.0629 11.2472 11.2481 17.9022 17.9034 19.9924 19.9966 22.0653 22.0680 23.4812 23.4884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500 0.5029 ( 607 PWs) bands (ev): -9.8760 -9.8759 -4.0832 -4.0827 0.0958 0.0961 2.2936 2.2949 4.2434 4.2448 8.6470 8.6501 10.7017 10.7028 18.9620 18.9649 20.1383 20.1421 21.1138 21.1161 23.9851 23.9939 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500 0.6448 ( 610 PWs) bands (ev): -8.9703 -8.9701 -4.0803 -4.0794 -0.4009 -0.4002 2.1464 2.1485 3.2337 3.2361 8.3590 8.3633 10.0991 10.0998 18.0584 18.0614 20.3416 20.3482 22.1144 22.1179 23.7585 23.7668 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500 0.7866 ( 608 PWs) bands (ev): -8.1807 -8.1804 -4.0271 -4.0258 -0.7338 -0.7322 2.0219 2.0253 2.4472 2.4524 8.0400 8.0452 9.7534 9.7550 16.9044 16.9069 20.3103 20.3168 22.9357 22.9453 24.0082 24.0119 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500 0.9285 ( 609 PWs) bands (ev): -7.7443 -7.7439 -3.8803 -3.8787 -0.9453 -0.9430 1.5440 1.5462 2.4028 2.4073 7.7667 7.7720 9.7113 9.7138 16.1277 16.1298 20.6352 20.6406 22.4656 22.4743 24.5367 24.5430 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500 1.0703 ( 608 PWs) bands (ev): -7.7655 -7.7651 -3.8915 -3.8898 -0.9334 -0.9311 1.5741 1.5763 2.3995 2.4041 7.7821 7.7875 9.7100 9.7124 16.1688 16.1710 20.6081 20.6137 22.4990 22.5078 24.5321 24.5385 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500 1.2122 ( 609 PWs) bands (ev): -8.2408 -8.2406 -4.0375 -4.0363 -0.7080 -0.7065 2.0547 2.0581 2.4836 2.4886 8.0711 8.0762 9.7692 9.7706 17.0022 17.0047 20.2911 20.2976 22.9680 22.9775 23.9126 23.9159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500-0.6319 ( 607 PWs) bands (ev): -9.0517 -9.0515 -4.0800 -4.0792 -0.3643 -0.3636 2.1524 2.1544 3.3248 3.3271 8.3847 8.3889 10.1478 10.1485 18.1620 18.1651 20.3735 20.3801 21.9487 21.9520 23.7954 23.8038 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500-0.4900 ( 607 PWs) bands (ev): -9.9561 -9.9560 -4.0867 -4.0862 0.1530 0.1533 2.3166 2.3177 4.3317 4.3330 8.6771 8.6801 10.7581 10.7593 18.9849 18.9876 20.0178 20.0216 21.1887 21.1913 23.9737 23.9825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500-0.3482 ( 606 PWs) bands (ev): -10.7519 -10.7518 -4.1829 -4.1826 0.9178 0.9182 2.6657 2.6662 5.1615 5.1621 9.1094 9.1111 11.2844 11.2853 17.7552 17.7562 20.0271 20.0312 22.1494 22.1520 23.4013 23.4082 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500-0.2063 ( 599 PWs) bands (ev): -11.3237 -11.3237 -4.3345 -4.3344 1.7241 1.7246 3.2526 3.2529 5.4948 5.4949 9.7626 9.7630 11.4705 11.4707 16.4658 16.4661 20.0987 20.1003 22.4898 22.4907 23.0067 23.0079 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500-0.0645 ( 596 PWs) bands (ev): -11.6144 -11.6143 -4.4391 -4.4390 2.1371 2.1373 4.2107 4.2110 5.0796 5.0797 10.5405 10.5425 11.1753 11.1771 15.9523 15.9526 19.6228 19.6240 22.3783 22.3817 23.3798 23.3829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500 0.0774 ( 595 PWs) bands (ev): -11.6004 -11.6003 -4.4336 -4.4335 2.1192 2.1194 4.1150 4.1153 5.1469 5.1470 10.4714 10.4730 11.2206 11.2221 15.9714 15.9717 19.6602 19.6613 22.3722 22.3753 23.3608 23.3635 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0500 0.2192 ( 599 PWs) bands (ev): -11.2828 -11.2828 -4.3212 -4.3211 1.6621 1.6626 3.1836 3.1839 5.4940 5.4941 9.6951 9.6956 11.4728 11.4731 16.5514 16.5517 20.1236 20.1255 22.5272 22.5288 22.9635 22.9655 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545 0.4513 ( 611 PWs) bands (ev): -10.1306 -10.1305 -4.5960 -4.5956 1.1253 1.1263 2.7332 2.7351 3.6554 3.6579 9.5503 9.5545 10.7205 10.7222 18.7837 18.7860 20.1003 20.1048 21.3835 21.3864 23.4786 23.4882 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545 0.5932 ( 610 PWs) bands (ev): -9.2099 -9.2097 -4.2558 -4.2550 0.3084 0.3093 2.2039 2.2066 2.8949 2.8992 8.9061 8.9115 9.9948 9.9957 18.0248 18.0276 20.6102 20.6172 22.2632 22.2652 23.7033 23.7122 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545 0.7351 ( 610 PWs) bands (ev): -8.2998 -8.2995 -3.8973 -3.8959 -0.4855 -0.4839 1.8721 1.8751 2.3354 2.3407 8.2257 8.2320 9.5100 9.5112 16.8081 16.8105 20.5519 20.5589 23.2266 23.2362 24.0370 24.0411 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545 0.8769 ( 612 PWs) bands (ev): -7.6582 -7.6579 -3.4056 -3.4038 -1.3358 -1.3337 1.7499 1.7525 2.0544 2.0596 7.6210 7.6273 9.3882 9.3898 15.7850 15.7872 20.8823 20.8888 22.8336 22.8433 24.3889 24.3958 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545 1.0188 ( 609 PWs) bands (ev): -7.4916 -7.4912 -3.1307 -3.1287 -1.7117 -1.7094 1.7123 1.7150 2.0147 2.0196 7.4436 7.4497 9.3905 9.3921 15.4888 15.4909 21.0496 21.0547 22.7075 22.7172 24.2894 24.2944 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545 1.1606 ( 607 PWs) bands (ev): -7.8439 -7.8435 -3.6005 -3.5989 -1.0317 -1.0298 1.7834 1.7861 2.1199 2.1253 7.8082 7.8146 9.4031 9.4046 16.0977 16.0999 20.7446 20.7515 22.9612 22.9708 24.4114 24.4191 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545 1.3025 ( 610 PWs) bands (ev): -8.6143 -8.6141 -4.0375 -4.0363 -0.1878 -0.1864 1.9607 1.9637 2.5110 2.5161 8.4809 8.4870 9.6396 9.6405 17.2593 17.2618 20.5125 20.5194 23.2673 23.2752 23.6573 23.6602 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545-0.5416 ( 610 PWs) bands (ev): -9.5547 -9.5545 -4.3773 -4.3767 0.5925 0.5934 2.3845 2.3869 3.1525 3.1562 9.1376 9.1425 10.2495 10.2507 18.4002 18.4030 20.7199 20.7276 21.5685 21.5708 23.7176 23.7272 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545-0.3998 ( 607 PWs) bands (ev): -10.4314 -10.4314 -4.7231 -4.7227 1.4563 1.4574 2.9354 2.9371 3.9596 3.9614 9.8002 9.8039 10.9807 10.9826 18.5615 18.5637 19.7681 19.7735 21.6457 21.6491 23.2077 23.2168 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545-0.2579 ( 602 PWs) bands (ev): -11.1064 -11.1064 -5.0470 -5.0468 2.3848 2.3861 3.5060 3.5074 4.7307 4.7312 10.5394 10.5417 11.5737 11.5754 16.7841 16.7848 19.6752 19.6782 22.1317 22.1346 22.7234 22.7291 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545-0.1161 ( 593 PWs) bands (ev): -11.5094 -11.5094 -5.2666 -5.2666 2.9750 2.9758 4.2655 4.2664 5.0935 5.0935 11.2651 11.2656 11.8380 11.8384 15.4000 15.4000 19.0838 19.0840 22.3144 22.3164 23.0834 23.0842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545 0.0258 ( 594 PWs) bands (ev): -11.6086 -11.6086 -5.3236 -5.3236 3.0936 3.0939 4.7569 4.7573 4.9593 4.9595 11.6169 11.6198 11.7599 11.7628 15.0317 15.0318 18.8262 18.8266 22.5054 22.5079 23.2007 23.2030 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545 0.1676 ( 596 PWs) bands (ev): -11.3970 -11.3970 -5.2034 -5.2033 2.8236 2.8247 3.9639 3.9651 5.0346 5.0348 11.0144 11.0157 11.7921 11.7932 15.8044 15.8046 19.3214 19.3223 22.2037 22.2056 22.9566 22.9589 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0545 0.3095 ( 607 PWs) bands (ev): -10.8898 -10.8898 -4.9370 -4.9368 2.0591 2.0604 3.2889 3.2904 4.4754 4.4763 10.2641 10.2670 11.3858 11.3876 17.4500 17.4511 19.7459 19.7501 22.0517 22.0554 22.7552 22.7631 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590 0.5416 ( 611 PWs) bands (ev): -9.3665 -9.3663 -4.8660 -4.8653 1.1010 1.1016 1.9477 1.9500 3.2046 3.2090 9.7338 9.7414 10.2352 10.2389 18.0853 18.0877 20.8082 20.8162 21.9380 21.9408 23.2868 23.2967 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590 0.6835 ( 609 PWs) bands (ev): -8.4517 -8.4514 -4.3072 -4.3060 0.0155 0.0173 1.5930 1.5949 2.6577 2.6624 8.7204 8.7271 9.6613 9.6639 16.9902 16.9925 20.7724 20.7798 23.0725 23.0809 23.8589 23.8606 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590 0.8253 ( 607 PWs) bands (ev): -7.7195 -7.7192 -3.6016 -3.5998 -1.1126 -1.1103 1.6200 1.6225 2.1967 2.2016 7.7741 7.7804 9.4258 9.4278 15.8838 15.8859 20.9697 20.9762 22.7548 22.7636 24.3017 24.3084 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590 0.9672 ( 612 PWs) bands (ev): -7.3926 -7.3922 -2.6474 -2.6452 -2.2505 -2.2482 1.7900 1.7924 1.9037 1.9090 7.2979 7.3039 9.3841 9.3855 15.3063 15.3084 21.0929 21.0966 22.6973 22.7075 24.2756 24.2774 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590 1.1090 ( 608 PWs) bands (ev): -7.5466 -7.5462 -3.2832 -3.2812 -1.5289 -1.5265 1.6776 1.6803 2.0685 2.0734 7.5279 7.5340 9.3982 9.3999 15.5869 15.5890 21.0357 21.0412 22.7095 22.7188 24.2883 24.2940 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590 1.2509 ( 608 PWs) bands (ev): -8.1503 -8.1500 -4.0755 -4.0741 -0.3909 -0.3888 1.5705 1.5725 2.4745 2.4793 8.3467 8.3532 9.5420 9.5444 16.5602 16.5624 20.8310 20.8384 22.9363 22.9446 24.2030 24.2080 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590 1.3927 ( 612 PWs) bands (ev): -9.0292 -9.0290 -4.6713 -4.6705 0.7132 0.7143 1.7626 1.7646 3.0027 3.0072 9.3807 9.3880 9.9840 9.9871 17.7220 17.7244 20.7666 20.7741 22.6887 22.6904 23.2905 23.2999 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590-0.4513 ( 605 PWs) bands (ev): -9.9331 -9.9330 -5.1913 -5.1909 1.7545 1.7552 2.4272 2.4304 3.5492 3.5535 10.3057 10.3135 10.7456 10.7505 18.5186 18.5209 20.2724 20.2773 21.3282 21.3315 23.0278 23.0376 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590-0.3095 ( 606 PWs) bands (ev): -10.6844 -10.6844 -5.6451 -5.6450 2.7455 2.7472 3.4176 3.4213 4.0365 4.0409 11.1743 11.1824 11.5172 11.5239 17.5109 17.5122 19.3615 19.3661 21.7567 21.7606 22.3400 22.3481 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590-0.1676 ( 601 PWs) bands (ev): -11.1879 -11.1879 -5.9711 -5.9710 3.5771 3.5790 4.3341 4.3381 4.4767 4.4814 11.9442 11.9529 12.0928 12.1012 15.6437 15.6439 18.8654 18.8667 21.9406 21.9422 22.5251 22.5289 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590-0.0258 ( 597 PWs) bands (ev): -11.3983 -11.3983 -6.1128 -6.1128 3.9170 3.9173 4.7987 4.8008 4.8030 4.8052 12.3541 12.3577 12.3656 12.3692 14.6687 14.6687 18.3919 18.3919 22.4882 22.4895 22.7447 22.7473 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590 0.1161 ( 597 PWs) bands (ev): -11.2997 -11.2997 -6.0460 -6.0459 3.7642 3.7657 4.5734 4.5776 4.6291 4.6337 12.1520 12.1609 12.2320 12.2408 15.1453 15.1454 18.6348 18.6354 22.1061 22.1078 22.6370 22.6402 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590 0.2579 ( 605 PWs) bands (ev): -10.8994 -10.8993 -5.7820 -5.7819 3.0855 3.0873 3.7802 3.7840 4.1979 4.2024 11.4767 11.4850 11.7547 11.7621 16.7827 16.7835 19.2418 19.2451 21.8147 21.8174 22.3209 22.3270 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.1590 0.3998 ( 604 PWs) bands (ev): -10.2304 -10.2303 -5.3667 -5.3664 2.1181 2.1192 2.7701 2.7736 3.7351 3.7394 10.6233 10.6312 11.0414 11.0470 18.4904 18.4928 19.6867 19.6922 21.4753 21.4793 22.7583 22.7676 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634 0.6319 ( 611 PWs) bands (ev): -8.5821 -8.5818 -4.9631 -4.9621 0.0474 0.0491 1.9666 1.9691 3.1191 3.1236 9.1567 9.1615 10.2949 10.2974 17.4149 17.4172 20.7347 20.7422 22.4751 22.4802 23.2672 23.2703 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634 0.7737 ( 613 PWs) bands (ev): -7.9190 -7.9186 -4.1572 -4.1558 -0.6855 -0.6834 1.6177 1.6199 2.5342 2.5388 8.0604 8.0657 9.7869 9.7894 16.4517 16.4539 20.6289 20.6352 22.5359 22.5446 24.3773 24.3830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634 0.9156 ( 610 PWs) bands (ev): -7.5735 -7.5732 -3.2114 -3.2095 -1.5765 -1.5743 1.7045 1.7071 2.0885 2.0933 7.3031 7.3085 9.5912 9.5930 15.7635 15.7656 20.4518 20.4566 22.5818 22.5914 24.7761 24.7810 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634 1.0574 ( 612 PWs) bands (ev): -7.5589 -7.5586 -3.1344 -3.1325 -1.6508 -1.6487 1.7231 1.7257 2.0576 2.0624 7.2664 7.2718 9.5840 9.5857 15.7298 15.7319 20.4411 20.4458 22.5871 22.5967 24.8003 24.8046 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634 1.1993 ( 613 PWs) bands (ev): -7.8733 -7.8730 -4.0742 -4.0727 -0.7619 -0.7597 1.6112 1.6134 2.4868 2.4914 7.9702 7.9755 9.7585 9.7610 16.3706 16.3727 20.6127 20.6188 22.5341 22.5429 24.4323 24.4384 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634 1.3411 ( 613 PWs) bands (ev): -8.5120 -8.5118 -4.8975 -4.8965 -0.0140 -0.0123 1.9139 1.9163 3.0624 3.0669 9.0562 9.0610 10.2319 10.2345 17.3287 17.3309 20.7290 20.7364 22.5319 22.5379 23.3581 23.3609 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634 1.4830 ( 609 PWs) bands (ev): -9.3230 -9.3229 -5.5581 -5.5576 0.7027 0.7042 2.6570 2.6601 3.6938 3.6982 10.0777 10.0813 11.0920 11.0931 18.1306 18.1329 20.6263 20.6325 21.0882 21.0902 23.0376 23.0441 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634-0.3611 ( 608 PWs) bands (ev): -10.0895 -10.0894 -6.1085 -6.1083 1.6443 1.6458 3.5585 3.5622 4.2710 4.2755 10.9757 10.9785 12.0480 12.0488 17.9190 17.9206 19.2082 19.2126 21.3251 21.3294 22.4356 22.4417 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634-0.2192 ( 610 PWs) bands (ev): -10.6647 -10.6646 -6.5236 -6.5235 2.7955 2.7972 4.3125 4.3167 4.6751 4.6794 11.8372 11.8391 12.7293 12.7304 16.2227 16.2231 18.9232 18.9254 21.6344 21.6364 21.8612 21.8654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634-0.0774 ( 599 PWs) bands (ev): -10.9744 -10.9743 -6.7522 -6.7521 3.9110 3.9134 4.6660 4.6699 4.7113 4.7148 12.5625 12.5634 12.9462 12.9465 15.0853 15.0853 18.3974 18.3977 21.7201 21.7202 22.1076 22.1081 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634 0.0645 ( 599 PWs) bands (ev): -10.9880 -10.9880 -6.7624 -6.7623 3.9960 3.9986 4.6438 4.6480 4.7196 4.7239 12.6145 12.6155 12.9385 12.9391 15.0323 15.0323 18.3628 18.3631 21.7451 21.7453 22.1173 22.1183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634 0.2063 ( 609 PWs) bands (ev): -10.7045 -10.7045 -6.5528 -6.5527 2.9036 2.9054 4.3640 4.3682 4.6970 4.7012 11.9114 11.9132 12.7704 12.7715 16.0831 16.0834 18.8806 18.8825 21.6221 21.6236 21.8827 21.8862 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634 0.3482 ( 608 PWs) bands (ev): -10.1512 -10.1511 -6.1526 -6.1524 1.7426 1.7440 3.6377 3.6415 4.3170 4.3215 11.0559 11.0586 12.1249 12.1258 17.7821 17.7836 19.1718 19.1761 21.3664 21.3706 22.3558 22.3619 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2634 0.4900 ( 608 PWs) bands (ev): -9.3974 -9.3973 -5.6126 -5.6121 0.7772 0.7787 2.7370 2.7402 3.7501 3.7545 10.1620 10.1654 11.1821 11.1831 18.1788 18.1810 20.4949 20.4998 21.0512 21.0542 23.0120 23.0186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679 0.7222 ( 612 PWs) bands (ev): -8.2292 -8.2289 -4.6406 -4.6396 -0.7458 -0.7440 2.2539 2.2574 2.9382 2.9429 8.2933 8.2971 10.3254 10.3275 17.3695 17.3719 20.1660 20.1721 22.4187 22.4265 23.5783 23.5816 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679 0.8640 ( 612 PWs) bands (ev): -8.0230 -8.0227 -3.5691 -3.5676 -1.0612 -1.0593 1.8373 1.8405 2.3949 2.3994 7.4454 7.4499 9.8043 9.8060 16.7809 16.7833 19.7167 19.7215 22.6480 22.6574 24.7754 24.7789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679 1.0059 ( 610 PWs) bands (ev): -7.9769 -7.9767 -2.9930 -2.9915 -1.3819 -1.3806 1.8214 1.8248 2.1511 2.1557 7.1446 7.1493 9.6638 9.6652 16.5668 16.5691 19.5533 19.5577 22.7045 22.7139 25.2014 25.2054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679 1.1477 ( 612 PWs) bands (ev): -8.0457 -8.0454 -3.7593 -3.7579 -0.9819 -0.9799 1.8745 1.8777 2.4796 2.4841 7.5703 7.5748 9.8686 9.8704 16.8692 16.8715 19.7851 19.7900 22.6232 22.6325 24.6009 24.6041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679 1.2896 ( 612 PWs) bands (ev): -8.2916 -8.2913 -4.8267 -4.8257 -0.7092 -0.7074 2.3760 2.3797 3.0548 3.0595 8.4734 8.4770 10.4660 10.4680 17.4901 17.4926 20.2504 20.2566 22.3123 22.3192 23.3593 23.3632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679 1.4314 ( 613 PWs) bands (ev): -8.7797 -8.7795 -5.7195 -5.7190 -0.4108 -0.4094 3.1542 3.1584 3.7582 3.7631 9.4624 9.4649 11.4487 11.4501 18.0721 18.0747 20.5271 20.5304 20.8468 20.8503 22.9453 22.9505 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679 1.5733 ( 607 PWs) bands (ev): -9.4087 -9.4086 -6.4004 -6.4002 0.2619 0.2631 3.9464 3.9508 4.4530 4.4577 10.4159 10.4179 12.5128 12.5134 18.0111 18.0132 19.1788 19.1824 20.8806 20.8858 22.6731 22.6764 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679-0.2708 ( 610 PWs) bands (ev): -9.9811 -9.9811 -6.9037 -6.9036 1.3378 1.3390 4.6045 4.6089 4.8724 4.8767 11.3722 11.3739 13.2484 13.2486 16.7024 16.7026 18.9686 18.9708 21.2046 21.2067 21.9606 21.9624 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679-0.1290 ( 609 PWs) bands (ev): -10.3570 -10.3570 -7.2161 -7.2161 2.6540 2.6554 4.6532 4.6551 5.0390 5.0421 12.3014 12.3029 13.4035 13.4038 15.8889 15.8891 18.6727 18.6742 21.3511 21.3530 21.4326 21.4340 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679 0.0129 ( 604 PWs) bands (ev): -10.4711 -10.4710 -7.3099 -7.3098 3.6711 3.6733 3.9801 3.9826 5.1650 5.1682 12.9304 12.9365 13.0888 13.0944 15.7475 15.7478 18.4045 18.4060 21.2928 21.2943 21.4458 21.4489 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679 0.1547 ( 611 PWs) bands (ev): -10.3070 -10.3070 -7.1749 -7.1748 2.4084 2.4097 4.7464 4.7479 4.9852 4.9880 12.1392 12.1407 13.4235 13.4236 15.9741 15.9743 18.7524 18.7539 21.3998 21.4023 21.4199 21.4230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679 0.2966 ( 609 PWs) bands (ev): -9.8887 -9.8887 -6.8255 -6.8254 1.1177 1.1189 4.5005 4.5049 4.8328 4.8371 11.1981 11.1999 13.1531 13.1533 16.9349 16.9352 18.9853 18.9876 21.1461 21.1487 22.1114 22.1134 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679 0.4385 ( 604 PWs) bands (ev): -9.2931 -9.2929 -6.2902 -6.2899 0.1071 0.1083 3.8087 3.8131 4.3374 4.3422 10.2431 10.2452 12.3334 12.3342 18.1429 18.1454 19.3491 19.3530 20.8289 20.8346 22.7560 22.7597 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.3679 0.5803 ( 612 PWs) bands (ev): -8.6750 -8.6747 -5.5743 -5.5736 -0.4873 -0.4859 3.0062 3.0104 3.6254 3.6303 9.2860 9.2887 11.2513 11.2528 17.9861 17.9887 20.5251 20.5305 21.1509 21.1529 22.9649 22.9703 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769-0.1805 ( 608 PWs) bands (ev): -8.6148 -8.6146 -3.6768 -3.6758 -1.0300 -1.0281 2.4078 2.4124 2.8547 2.8587 7.5935 7.5969 9.9972 9.9986 18.0697 18.0724 19.5110 19.5155 22.6138 22.6216 23.6403 23.6452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769-0.0387 ( 602 PWs) bands (ev): -8.6474 -8.6472 -2.7552 -2.7541 -1.0920 -1.0905 2.0247 2.0296 2.4399 2.4436 7.2332 7.2371 9.5395 9.5408 17.8280 17.8306 19.1622 19.1658 22.8833 22.8925 24.4288 24.4310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769 0.1032 ( 607 PWs) bands (ev): -8.6358 -8.6356 -3.0831 -3.0820 -1.0377 -1.0359 2.1452 2.1500 2.5670 2.5709 7.3451 7.3489 9.6751 9.6765 17.9078 17.9105 19.2673 19.2712 22.8198 22.8287 24.1588 24.1616 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769 0.2450 ( 612 PWs) bands (ev): -8.6020 -8.6018 -4.2299 -4.2290 -1.0800 -1.0782 2.6764 2.6806 3.1903 3.1938 7.8721 7.8751 10.3870 10.3884 18.2273 18.2301 19.7836 19.7887 22.2090 22.2147 23.2573 23.2644 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769 0.3869 ( 611 PWs) bands (ev): -8.6514 -8.6512 -5.4090 -5.4084 -1.1488 -1.1474 3.3162 3.3196 4.0677 4.0700 8.6335 8.6360 11.5119 11.5129 18.5236 18.5271 20.2663 20.2679 20.7019 20.7051 22.8816 22.8883 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769 0.5287 ( 607 PWs) bands (ev): -8.8859 -8.8858 -6.3674 -6.3671 -0.8430 -0.8418 3.9913 3.9944 4.8281 4.8298 9.5376 9.5400 12.6768 12.6773 18.2280 18.2311 19.2860 19.2913 20.6686 20.6751 22.5933 22.5976 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769 0.6706 ( 611 PWs) bands (ev): -9.2607 -9.2606 -7.0483 -7.0482 -0.0206 -0.0195 4.6303 4.6331 5.1316 5.1327 10.5499 10.5523 13.4646 13.4647 17.1041 17.1045 19.1447 19.1458 20.7899 20.7916 22.1271 22.1298 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769-1.1735 ( 609 PWs) bands (ev): -9.6053 -9.6052 -7.4745 -7.4744 1.2322 1.2333 4.6673 4.6700 5.1331 5.1369 11.6172 11.6194 13.6031 13.6034 16.6820 16.6823 18.9685 18.9703 20.8813 20.8834 21.5509 21.5518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769-1.0317 ( 602 PWs) bands (ev): -9.7796 -9.7795 -7.6606 -7.6605 2.6936 2.6949 3.5267 3.5285 5.3693 5.3726 12.6251 12.6273 13.1010 13.1028 16.9345 16.9353 18.5926 18.5953 20.8541 20.8572 21.2200 21.2222 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769-0.8898 ( 609 PWs) bands (ev): -9.7269 -9.7268 -7.6058 -7.6057 2.0243 2.0256 4.1063 4.1083 5.2977 5.3011 12.1861 12.1880 13.3940 13.3949 16.7956 16.7962 18.7605 18.7630 20.8781 20.8810 21.3116 21.3137 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769-0.7479 ( 611 PWs) bands (ev): -9.4633 -9.4632 -7.3108 -7.3107 0.6207 0.6218 4.9012 4.9051 5.0084 5.0116 11.1305 11.1328 13.6281 13.6282 16.7565 16.7566 19.0784 19.0793 20.8498 20.8505 21.8125 21.8140 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769-0.6061 ( 608 PWs) bands (ev): -9.0829 -9.0829 -6.7722 -6.7720 -0.4568 -0.4557 4.3513 4.3543 5.0728 5.0743 10.0789 10.0813 13.1756 13.1759 17.5816 17.5827 19.1760 19.1787 20.7358 20.7398 22.3614 22.3648 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769-0.4642 ( 612 PWs) bands (ev): -8.7547 -8.7546 -5.9659 -5.9655 -1.0442 -1.0429 3.6831 3.6863 4.5182 4.5201 9.1113 9.1136 12.1706 12.1713 18.5288 18.5329 19.6748 19.6812 20.5985 20.6066 22.7413 22.7466 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.6769-0.3224 ( 610 PWs) bands (ev): -8.6102 -8.6100 -4.8914 -4.8907 -1.1446 -1.1430 3.0193 3.0229 3.6624 3.6652 8.2668 8.2695 10.9696 10.9708 18.4083 18.4114 20.1151 20.1203 21.4078 21.4110 23.0061 23.0137 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724-0.0903 ( 602 PWs) bands (ev): -9.3645 -9.3644 -2.4605 -2.4597 -1.0976 -1.0956 2.4543 2.4589 2.9567 2.9584 7.4258 7.4287 9.4130 9.4146 19.1012 19.1046 19.5149 19.5191 22.6782 22.6846 23.3498 23.3585 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724 0.0516 ( 601 PWs) bands (ev): -9.3854 -9.3852 -2.2633 -2.2625 -1.0922 -1.0902 2.4089 2.4142 2.8181 2.8201 7.4287 7.4317 9.2755 9.2770 19.0550 19.0584 19.4721 19.4761 22.9063 22.9134 23.3186 23.3263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724 0.1934 ( 603 PWs) bands (ev): -9.2609 -9.2607 -3.2588 -3.2580 -1.2143 -1.2125 2.6765 2.6800 3.5687 3.5699 7.4785 7.4812 10.0517 10.0532 19.2433 19.2463 19.7947 19.7995 21.7879 21.7926 23.3099 23.3194 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724 0.3353 ( 612 PWs) bands (ev): -9.0517 -9.0516 -4.5557 -4.5552 -1.4835 -1.4820 3.1572 3.1604 4.5714 4.5721 7.8238 7.8264 11.2769 11.2780 19.3124 19.3170 20.2332 20.2395 20.4230 20.4300 23.0491 23.0577 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724 0.4771 ( 613 PWs) bands (ev): -8.8752 -8.8751 -5.7628 -5.7626 -1.5224 -1.5211 3.7550 3.7582 5.3156 5.3160 8.5106 8.5134 12.4944 12.4949 18.5148 18.5167 19.6081 19.6135 20.7029 20.7090 22.6272 22.6341 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724 0.6190 ( 609 PWs) bands (ev): -8.8348 -8.8347 -6.7308 -6.7307 -1.0620 -1.0609 4.3735 4.3766 5.4569 5.4570 9.4613 9.4642 13.2996 13.2996 17.5488 17.5492 19.5641 19.5667 20.6584 20.6590 22.1341 22.1398 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724 0.7608 ( 607 PWs) bands (ev): -8.9206 -8.9205 -7.3955 -7.3953 -0.0536 -0.0526 4.6813 4.6862 5.0005 5.0058 10.5686 10.5713 13.4552 13.4556 17.4168 17.4180 19.3184 19.3222 20.6435 20.6484 21.6415 21.6455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724-1.0832 ( 603 PWs) bands (ev): -9.0221 -9.0219 -7.7428 -7.7426 1.3670 1.3682 3.4060 3.4078 5.2696 5.2732 11.6839 11.6856 13.0052 13.0070 17.9803 17.9833 18.9186 18.9235 20.6605 20.6645 21.2578 21.2592 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724-0.9414 ( 605 PWs) bands (ev): -9.0373 -9.0371 -7.7840 -7.7837 1.7945 1.7957 2.9833 2.9850 5.3103 5.3138 11.9463 11.9476 12.8212 12.8238 18.1549 18.1581 18.8089 18.8136 20.6353 20.6384 21.2138 21.2153 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724-0.7995 ( 609 PWs) bands (ev): -8.9520 -8.9519 -7.5214 -7.5212 0.3016 0.3027 4.4110 4.4142 5.0713 5.0755 10.8806 10.8831 13.3839 13.3845 17.5247 17.5264 19.2155 19.2198 20.6603 20.6656 21.5149 21.5180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724-0.6577 ( 609 PWs) bands (ev): -8.8493 -8.8492 -6.9435 -6.9434 -0.8382 -0.8371 4.5284 4.5314 5.3585 5.3588 9.7528 9.7556 13.4099 13.4099 17.4224 17.4228 19.5237 19.5261 20.6380 20.6393 21.9980 22.0034 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724-0.5158 ( 612 PWs) bands (ev): -8.8485 -8.8484 -6.0543 -6.0541 -1.4526 -1.4514 3.9264 3.9295 5.4267 5.4270 8.7479 8.7508 12.7694 12.7698 18.1900 18.1912 19.5997 19.6044 20.7112 20.7162 22.4957 22.5022 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724-0.3740 ( 613 PWs) bands (ev): -8.9948 -8.9947 -4.9024 -4.9020 -1.5317 -1.5303 3.3123 3.3155 4.8158 4.8164 7.9795 7.9822 11.6280 11.6289 19.2489 19.2543 19.9011 19.9085 20.5302 20.5373 22.9470 22.9551 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5724-0.2321 ( 605 PWs) bands (ev): -9.2080 -9.2079 -3.6067 -3.6060 -1.2884 -1.2867 2.7910 2.7943 3.8440 3.8451 7.5375 7.5401 10.3616 10.3630 19.2810 19.2841 19.9544 19.9594 21.3843 21.3886 23.2587 23.2681 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4679-0.0000 ( 611 PWs) bands (ev): -10.1053 -10.1052 -1.5671 -1.5660 -1.2578 -1.2548 2.8954 2.9011 3.1161 3.1174 7.8099 7.8120 8.9691 8.9706 19.9939 19.9972 20.2782 20.2815 21.7865 21.7869 23.1799 23.1900 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4679 0.1419 ( 606 PWs) bands (ev): -9.9987 -9.9986 -2.2519 -2.2511 -1.2383 -1.2364 2.6822 2.6853 3.9261 3.9271 7.4980 7.5005 9.6836 9.6853 20.1838 20.1893 20.2494 20.2549 21.0881 21.0910 23.3881 23.3980 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4679 0.2837 ( 610 PWs) bands (ev): -9.7054 -9.7053 -3.4761 -3.4756 -1.4948 -1.4932 2.8842 2.8874 5.0045 5.0052 7.3589 7.3616 10.9247 10.9261 19.6913 19.6916 20.1302 20.1349 20.7806 20.7833 23.3920 23.4015 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4679 0.4256 ( 610 PWs) bands (ev): -9.3075 -9.3075 -4.7489 -4.7487 -1.7375 -1.7362 3.3452 3.3485 5.7381 5.7384 7.6863 7.6892 12.0930 12.0937 18.5811 18.5812 19.9855 19.9914 20.9920 20.9951 23.0178 23.0264 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4679 0.5674 ( 609 PWs) bands (ev): -8.9318 -8.9318 -5.8621 -5.8619 -1.6419 -1.6407 3.9048 3.9081 5.7422 5.7422 8.4224 8.4254 12.8269 12.8270 18.0105 18.0108 19.8525 19.8577 20.7992 20.8004 22.4677 22.4755 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4679 0.7093 ( 611 PWs) bands (ev): -8.6815 -8.6813 -6.7217 -6.7214 -1.0054 -1.0043 4.3881 4.3919 4.9513 4.9538 9.4181 9.4209 12.9711 12.9713 18.1388 18.1412 19.5444 19.5509 20.6706 20.6782 21.9002 21.9073 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4679 0.8511 ( 609 PWs) bands (ev): -8.5580 -8.5577 -7.2763 -7.2759 0.1733 0.1746 3.3890 3.3913 4.8874 4.8911 10.4859 10.4877 12.6315 12.6331 18.3665 18.3709 19.5296 19.5360 20.8786 20.8864 21.3205 21.3263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4679-0.9930 ( 600 PWs) bands (ev): -8.5191 -8.5188 -7.4737 -7.4732 1.7071 1.7072 1.7474 1.7492 5.0210 5.0245 11.1515 11.1530 12.2237 12.2276 18.2675 18.2691 20.0181 20.0191 20.8395 20.8422 21.1002 21.1025 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635 0.0903 ( 609 PWs) bands (ev): -10.6630 -10.6629 -2.0617 -2.0612 -0.6980 -0.6969 2.9588 2.9611 4.1604 4.1617 8.0052 8.0078 9.5034 9.5052 19.8302 19.8327 20.8984 20.9050 21.1935 21.1967 23.2082 23.2184 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635 0.2321 ( 613 PWs) bands (ev): -10.3828 -10.3827 -2.7103 -2.7100 -1.1098 -1.1086 2.6566 2.6593 5.2912 5.2921 7.4588 7.4612 10.6588 10.6601 18.9520 18.9533 20.6390 20.6451 21.5075 21.5093 23.5701 23.5796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635 0.3740 ( 605 PWs) bands (ev): -9.9059 -9.9058 -3.7481 -3.7480 -1.5025 -1.5012 2.8208 2.8238 6.0076 6.0079 7.3846 7.3871 11.6670 11.6675 18.3293 18.3296 20.2421 20.2483 21.5325 21.5337 23.5566 23.5650 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635 0.5158 ( 608 PWs) bands (ev): -9.3341 -9.3340 -4.8149 -4.8147 -1.6901 -1.6888 3.2387 3.2418 5.9128 5.9130 7.7851 7.7878 12.2225 12.2229 18.3531 18.3531 19.8716 19.8770 21.0951 21.0969 23.1528 23.1603 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635 0.6577 ( 610 PWs) bands (ev): -8.8156 -8.8155 -5.7008 -5.7005 -1.4675 -1.4662 3.7251 3.7283 5.0037 5.0043 8.5110 8.5137 12.2712 12.2719 18.7931 18.7971 19.6138 19.6210 20.6331 20.6405 22.6070 22.6141 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635 0.7995 ( 614 PWs) bands (ev): -8.4741 -8.4739 -6.3130 -6.3125 -0.6877 -0.6863 3.4113 3.4148 4.2732 4.2773 9.3626 9.3646 11.9977 11.9989 18.3993 18.4026 20.1052 20.1075 20.8608 20.8652 22.0250 22.0313 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635 0.9414 ( 609 PWs) bands (ev): -8.3298 -8.3295 -6.6065 -6.6059 0.5998 0.6014 1.7893 1.7910 4.4664 4.4698 10.0147 10.0165 11.6678 11.6713 17.9469 17.9487 20.4855 20.4886 21.2115 21.2166 21.9330 21.9353 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635-0.9027 ( 609 PWs) bands (ev): -8.3516 -8.3513 -6.5597 -6.5591 0.2107 0.2122 2.2367 2.2386 4.4309 4.4344 9.8881 9.8896 11.7402 11.7431 18.0271 18.0291 20.4044 20.4076 21.2264 21.2316 21.8561 21.8591 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635-0.7608 ( 614 PWs) bands (ev): -8.5466 -8.5464 -6.1763 -6.1758 -0.9570 -0.9557 3.7607 3.7656 4.2562 4.2611 9.1320 9.1342 12.0910 12.0919 18.5650 18.5691 19.9510 19.9563 20.7088 20.7157 22.1761 22.1829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635-0.6190 ( 609 PWs) bands (ev): -8.9431 -8.9430 -5.4837 -5.4834 -1.5801 -1.5788 3.5981 3.6012 5.3159 5.3163 8.2914 8.2942 12.2997 12.3003 18.7013 18.7034 19.6409 19.6464 20.7145 20.7204 22.7642 22.7714 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635-0.4771 ( 607 PWs) bands (ev): -9.4914 -9.4914 -4.5360 -4.5359 -1.6705 -1.6692 3.1100 3.1131 6.0276 6.0277 7.6357 7.6383 12.1250 12.1251 18.2780 18.2781 19.9668 19.9726 21.2483 21.2489 23.2833 23.2910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635-0.3353 ( 607 PWs) bands (ev): -10.0507 -10.0506 -3.4490 -3.4488 -1.4084 -1.4071 2.7428 2.7457 5.8809 5.8815 7.3548 7.3572 11.4272 11.4280 18.4440 18.4446 20.3527 20.3589 21.5733 21.5748 23.6117 23.6205 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635-0.1934 ( 610 PWs) bands (ev): -10.4816 -10.4816 -2.4798 -2.4794 -0.9886 -0.9874 2.6831 2.6856 5.0023 5.0033 7.5658 7.5683 10.3418 10.3433 19.1923 19.1940 20.7320 20.7380 21.4333 21.4352 23.4889 23.4987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.3635-0.0516 ( 609 PWs) bands (ev): -10.6978 -10.6977 -1.9849 -1.9844 -0.6285 -0.6275 3.1463 3.1486 3.8508 3.8522 8.1973 8.2002 9.2327 9.2348 20.0096 20.0125 20.9156 20.9225 21.1260 21.1302 23.1266 23.1370 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590 0.1805 ( 605 PWs) bands (ev): -10.9620 -10.9620 -2.8431 -2.8428 -0.1232 -0.1226 2.7701 2.7718 5.3902 5.3910 8.1239 8.1259 10.6121 10.6133 18.0626 18.0638 20.8516 20.8571 22.2492 22.2522 23.2770 23.2856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590 0.3224 ( 607 PWs) bands (ev): -10.4939 -10.4939 -3.2863 -3.2861 -0.7466 -0.7458 2.4688 2.4709 6.0577 6.0579 7.6906 7.6923 11.3795 11.3798 17.8436 17.8440 20.4183 20.4236 22.1437 22.1442 23.7741 23.7815 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590 0.4642 ( 608 PWs) bands (ev): -9.8405 -9.8405 -3.9956 -3.9954 -1.2101 -1.2089 2.5717 2.5741 5.8874 5.8879 7.7129 7.7150 11.6755 11.6761 18.4243 18.4249 19.8851 19.8899 21.4480 21.4498 23.7763 23.7833 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590 0.6061 ( 611 PWs) bands (ev): -9.1291 -9.1289 -4.7330 -4.7326 -1.3592 -1.3579 2.9158 2.9185 4.9631 4.9641 8.0727 8.0752 11.5430 11.5440 19.1644 19.1693 19.7248 19.7292 20.6347 20.6402 23.3875 23.3946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590 0.7479 ( 612 PWs) bands (ev): -8.5406 -8.5404 -5.2896 -5.2890 -1.0618 -1.0603 3.1881 3.1925 3.7115 3.7155 8.5753 8.5778 11.2349 11.2361 18.3235 18.3265 20.2110 20.2156 21.2156 21.2180 22.8336 22.8405 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590 0.8898 ( 609 PWs) bands (ev): -8.2149 -8.2145 -5.5877 -5.5869 -0.2373 -0.2355 1.9372 1.9393 3.7203 3.7239 8.9866 8.9892 10.9996 11.0025 17.6027 17.6046 20.2745 20.2794 21.7559 21.7624 23.0632 23.0656 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590 1.0317 ( 612 PWs) bands (ev): -8.1582 -8.1579 -5.6403 -5.6394 0.2328 0.2349 1.3329 1.3342 3.7758 3.7792 9.0763 9.0790 10.9536 10.9571 17.4440 17.4457 20.3470 20.3506 21.6401 21.6458 23.3842 23.3859 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590-0.8124 ( 613 PWs) bands (ev): -8.3568 -8.3565 -5.4576 -5.4568 -0.7485 -0.7468 2.7396 2.7430 3.6166 3.6208 8.7893 8.7918 11.1080 11.1099 17.9493 17.9518 20.2007 20.2059 21.7041 21.7088 22.7274 22.7324 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590-0.6706 ( 613 PWs) bands (ev): -8.8352 -8.8350 -5.0160 -5.0155 -1.2882 -1.2868 3.0934 3.0962 4.3839 4.3852 8.2963 8.2988 11.4077 11.4087 18.8049 18.8088 20.2789 20.2835 20.4923 20.4991 23.1357 23.1430 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590-0.5287 ( 606 PWs) bands (ev): -9.5142 -9.5141 -4.3429 -4.3426 -1.3235 -1.3223 2.7092 2.7118 5.5429 5.5437 7.8459 7.8482 11.6555 11.6564 18.9213 18.9218 19.6209 19.6252 21.0534 21.0566 23.6350 23.6419 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590-0.3869 ( 610 PWs) bands (ev): -10.2139 -10.2138 -3.5874 -3.5873 -0.9900 -0.9890 2.4750 2.4773 6.0895 6.0897 7.6475 7.6493 11.5772 11.5774 18.0054 18.0055 20.1826 20.1878 21.8788 21.8792 23.8424 23.8496 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590-0.2450 ( 610 PWs) bands (ev): -10.7777 -10.7777 -3.0041 -3.0039 -0.4067 -0.4060 2.5721 2.5740 5.7829 5.7834 7.8705 7.8723 11.0093 11.0101 17.8781 17.8789 20.6790 20.6845 22.2964 22.2981 23.5224 23.5303 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590-0.1032 ( 603 PWs) bands (ev): -11.1131 -11.1130 -2.7287 -2.7283 0.1470 0.1475 3.1614 3.1629 4.7891 4.7901 8.5325 8.5349 10.0725 10.0742 18.3733 18.3747 20.9461 20.9517 22.0378 22.0414 23.1064 23.1158 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2590 0.0387 ( 599 PWs) bands (ev): -11.1769 -11.1769 -2.6856 -2.6852 0.2695 0.2700 3.6084 3.6097 4.2419 4.2431 8.9131 8.9173 9.6318 9.6351 18.5789 18.5804 20.9246 20.9303 21.9090 21.9131 23.0552 23.0646 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060 0.3611 ( 614 PWs) bands (ev): -10.0939 -10.0938 -4.4159 -4.4156 -0.2564 -0.2563 2.1905 2.1909 5.9172 5.9172 8.6068 8.6075 11.9261 11.9262 17.7969 17.7970 19.4312 19.4344 21.7523 21.7523 24.1090 24.1130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060 0.5029 ( 605 PWs) bands (ev): -9.4871 -9.4870 -4.7587 -4.7585 -0.7213 -0.7209 2.1066 2.1076 5.6139 5.6147 8.5837 8.5852 11.8707 11.8714 18.5802 18.5816 18.9865 18.9895 21.1856 21.1889 24.0663 24.0705 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060 0.6448 ( 609 PWs) bands (ev): -8.9520 -8.9518 -5.0104 -5.0099 -0.8433 -0.8424 2.3257 2.3274 4.6349 4.6362 8.7274 8.7299 11.3792 11.3802 18.3685 18.3717 20.0716 20.0733 20.7013 20.7077 23.7550 23.7604 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060 0.7866 ( 609 PWs) bands (ev): -8.6590 -8.6587 -5.0272 -5.0264 -0.5483 -0.5469 2.6108 2.6135 3.3731 3.3763 8.9542 8.9576 10.7331 10.7343 17.7828 17.7855 20.6105 20.6182 21.6010 21.6037 23.3453 23.3508 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060 0.9285 ( 614 PWs) bands (ev): -8.5760 -8.5757 -4.9526 -4.9517 0.1995 0.2012 1.7618 1.7639 3.1380 3.1423 9.1925 9.1975 10.2296 10.2325 17.3668 17.3690 20.7593 20.7666 22.5559 22.5616 23.3138 23.3161 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060 1.0703 ( 613 PWs) bands (ev): -8.5787 -8.5785 -4.9575 -4.9566 0.1243 0.1260 1.8617 1.8640 3.1287 3.1331 9.1755 9.1804 10.2601 10.2628 17.3890 17.3912 20.7477 20.7551 22.5209 22.5263 23.2888 23.2915 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060 1.2122 ( 609 PWs) bands (ev): -8.6749 -8.6746 -5.0330 -5.0323 -0.5958 -0.5945 2.6041 2.6065 3.4764 3.4792 8.9314 8.9347 10.7905 10.7916 17.8343 17.8370 20.6026 20.6102 21.4706 21.4732 23.3766 23.3822 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060-0.6319 ( 611 PWs) bands (ev): -8.9921 -8.9920 -4.9972 -4.9968 -0.8473 -0.8464 2.2963 2.2979 4.7432 4.7445 8.7101 8.7125 11.4347 11.4358 18.4190 18.4221 19.9332 19.9349 20.7305 20.7367 23.7919 23.7972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060-0.4900 ( 604 PWs) bands (ev): -9.5425 -9.5424 -4.7274 -4.7271 -0.6935 -0.6931 2.1011 2.1021 5.6739 5.6746 8.5771 8.5785 11.8972 11.8979 18.4940 18.4952 19.0123 19.0154 21.2403 21.2433 24.0823 24.0864 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060-0.3482 ( 614 PWs) bands (ev): -10.1456 -10.1456 -4.3890 -4.3887 -0.1955 -0.1954 2.2121 2.2125 5.9024 5.9025 8.6216 8.6222 11.9038 11.9039 17.7617 17.7618 19.4761 19.4793 21.7941 21.7944 24.0948 24.0988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060-0.2063 ( 607 PWs) bands (ev): -10.6231 -10.6230 -4.1890 -4.1887 0.6621 0.6625 2.5481 2.5486 5.2874 5.2880 8.9628 8.9644 11.3846 11.3854 17.8202 17.8212 19.9304 19.9344 22.0618 22.0642 23.6114 23.6180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060-0.0645 ( 604 PWs) bands (ev): -10.8757 -10.8756 -4.1296 -4.1293 1.5133 1.5136 3.1230 3.1238 4.1244 4.1254 9.6052 9.6094 10.5676 10.5704 18.3320 18.3337 20.1214 20.1269 21.9400 21.9435 23.0718 23.0816 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060 0.0774 ( 606 PWs) bands (ev): -10.8634 -10.8633 -4.1316 -4.1313 1.4611 1.4614 3.0505 3.0513 4.2372 4.2381 9.5412 9.5449 10.6416 10.6440 18.2914 18.2931 20.1187 20.1241 21.9575 21.9609 23.0965 23.1061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2060 0.2192 ( 610 PWs) bands (ev): -10.5880 -10.5879 -4.2000 -4.1997 0.5736 0.5740 2.5112 2.5117 5.3736 5.3741 8.9177 8.9191 11.4494 11.4501 17.7854 17.7863 19.8957 19.8997 22.0542 22.0565 23.6761 23.6824 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015 0.4513 ( 608 PWs) bands (ev): -9.8053 -9.8052 -4.8000 -4.7997 -0.1435 -0.1428 2.3706 2.3715 5.2076 5.2084 9.0456 9.0473 11.7554 11.7561 18.3352 18.3368 19.1927 19.1960 21.3499 21.3535 24.0481 24.0531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015 0.5932 ( 605 PWs) bands (ev): -9.0974 -9.0973 -4.7661 -4.7655 -0.4820 -0.4817 2.1192 2.1204 4.3105 4.3119 8.8095 8.8123 11.0407 11.0416 18.2576 18.2606 20.4059 20.4087 20.8169 20.8210 23.8555 23.8611 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015 0.7351 ( 611 PWs) bands (ev): -8.5452 -8.5450 -4.5913 -4.5904 -0.5403 -0.5395 2.1179 2.1197 3.2002 3.2026 8.6403 8.6447 10.2403 10.2412 17.5300 17.5328 20.6284 20.6369 22.1968 22.2009 23.3953 23.4003 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015 0.8769 ( 610 PWs) bands (ev): -8.2770 -8.2767 -4.2672 -4.2660 -0.4049 -0.4032 1.9078 1.9105 2.5125 2.5176 8.4940 8.5001 9.7017 9.7037 16.8701 16.8725 20.7582 20.7662 22.9311 22.9394 23.7784 23.7825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015 1.0188 ( 609 PWs) bands (ev): -8.2252 -8.2249 -4.1427 -4.1414 -0.2966 -0.2946 1.5922 1.5942 2.5171 2.5219 8.4413 8.4478 9.5742 9.5766 16.6769 16.6791 20.8108 20.8182 22.9671 22.9755 24.1261 24.1303 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015 1.1606 ( 610 PWs) bands (ev): -8.3434 -8.3431 -4.3841 -4.3830 -0.4735 -0.4722 2.0910 2.0937 2.6193 2.6240 8.5433 8.5489 9.8514 9.8529 17.0738 17.0763 20.7062 20.7145 22.8704 22.8783 23.4698 23.4736 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015 1.3025 ( 609 PWs) bands (ev): -8.7152 -8.7150 -4.6808 -4.6800 -0.5430 -0.5425 2.0960 2.0976 3.6080 3.6100 8.6983 8.7021 10.5177 10.5186 17.8103 17.8133 20.6264 20.6350 21.5928 21.5962 23.5490 23.5545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015-0.5416 ( 608 PWs) bands (ev): -9.3487 -9.3486 -4.7841 -4.7836 -0.4005 -0.4000 2.1817 2.1827 4.6770 4.6782 8.8835 8.8859 11.3294 11.3304 18.4487 18.4514 19.8034 19.8052 20.9627 20.9677 23.9853 23.9908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015-0.3998 ( 611 PWs) bands (ev): -10.0582 -10.0581 -4.8157 -4.8154 0.0820 0.0829 2.5110 2.5119 5.4214 5.4219 9.1651 9.1663 11.9282 11.9288 17.9195 17.9204 19.2579 19.2611 21.5938 21.5964 23.9717 23.9761 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015-0.2579 ( 607 PWs) bands (ev): -10.6512 -10.6511 -4.9056 -4.9054 0.9992 1.0003 2.9332 2.9343 5.5286 5.5286 9.6367 9.6369 12.0501 12.0501 17.0231 17.0233 19.6283 19.6312 22.1717 22.1719 23.2758 23.2785 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015-0.1161 ( 604 PWs) bands (ev): -11.0178 -11.0177 -5.0080 -5.0078 2.1335 2.1349 3.3519 3.3535 4.8561 4.8566 10.3295 10.3314 11.6459 11.6471 16.9128 16.9135 19.7311 19.7343 22.1913 22.1947 22.6997 22.7061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015 0.0258 ( 602 PWs) bands (ev): -11.1091 -11.1091 -5.0392 -5.0391 2.5759 2.5767 3.7853 3.7868 4.1848 4.1867 10.7967 10.8027 11.2356 11.2408 17.0165 17.0173 19.6333 19.6368 22.0249 22.0279 22.7399 22.7465 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015 0.1676 ( 607 PWs) bands (ev): -10.9147 -10.9147 -4.9754 -4.9752 1.7311 1.7323 3.1912 3.1926 5.1793 5.1796 10.0565 10.0576 11.8448 11.8454 16.8778 16.8783 19.7486 19.7516 22.3079 22.3111 22.7546 22.7601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.1015 0.3095 ( 611 PWs) bands (ev): -10.4576 -10.4575 -4.8665 -4.8663 0.6203 0.6213 2.7799 2.7810 5.5811 5.5812 9.4384 9.4388 12.0699 12.0701 17.2605 17.2607 19.5007 19.5036 21.9896 21.9904 23.6071 23.6101 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030 0.5416 ( 608 PWs) bands (ev): -9.2740 -9.2739 -4.9828 -4.9822 -0.0489 -0.0477 2.6492 2.6510 3.7680 3.7702 9.2957 9.2988 11.0076 11.0081 18.1853 18.1880 20.5361 20.5409 20.9906 20.9931 23.6746 23.6805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030 0.6835 ( 609 PWs) bands (ev): -8.5318 -8.5316 -4.5584 -4.5575 -0.4088 -0.4077 2.2044 2.2067 2.8880 2.8918 8.7234 8.7283 10.0953 10.0965 17.3841 17.3868 20.6873 20.6957 22.5267 22.5315 23.3617 23.3661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030 0.8253 ( 609 PWs) bands (ev): -8.0352 -8.0348 -3.9718 -3.9704 -0.7378 -0.7362 1.9190 1.9221 2.2657 2.2713 8.1152 8.1214 9.5395 9.5413 16.5151 16.5175 20.7163 20.7239 22.9226 22.9313 24.1082 24.1145 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030 0.9672 ( 608 PWs) bands (ev): -7.8516 -7.8512 -3.4850 -3.4833 -1.0719 -1.0699 1.7328 1.7354 2.1158 2.1211 7.7572 7.7636 9.3683 9.3697 16.0565 16.0587 20.7023 20.7089 23.0606 23.0708 24.4545 24.4606 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030 1.1090 ( 604 PWs) bands (ev): -7.9348 -7.9344 -3.7466 -3.7450 -0.8839 -0.8821 1.8313 1.8343 2.1687 2.1742 7.9338 7.9401 9.4431 9.4447 16.2793 16.2815 20.7146 20.7218 22.9666 22.9758 24.3347 24.3423 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030 1.2509 ( 610 PWs) bands (ev): -8.3144 -8.3141 -4.3642 -4.3631 -0.5151 -0.5138 2.0860 2.0886 2.6125 2.6170 8.5002 8.5057 9.8392 9.8408 17.0496 17.0521 20.6959 20.7042 22.8748 22.8828 23.4755 23.4794 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030 1.3927 ( 610 PWs) bands (ev): -8.9885 -8.9883 -4.8418 -4.8411 -0.2059 -0.2047 2.4699 2.4719 3.4387 3.4414 9.0911 9.0948 10.6580 10.6586 17.9330 17.9357 20.7233 20.7319 21.4101 21.4126 23.5764 23.5821 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030-0.4513 ( 608 PWs) bands (ev): -9.7758 -9.7757 -5.2155 -5.2151 0.3424 0.3436 2.9874 2.9891 4.3241 4.3256 9.6671 9.6695 11.5895 11.5899 18.3550 18.3571 19.5337 19.5369 21.2221 21.2267 23.6227 23.6286 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030-0.3095 ( 612 PWs) bands (ev): -10.4702 -10.4701 -5.5589 -5.5587 1.2816 1.2829 3.5002 3.5020 4.9839 4.9846 10.3283 10.3296 12.2523 12.2527 17.1657 17.1662 19.3492 19.3523 21.8188 21.8214 22.8720 22.8762 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030-0.1676 ( 605 PWs) bands (ev): -10.9475 -10.9475 -5.8251 -5.8250 2.4912 2.4929 3.8874 3.8896 5.0777 5.0778 11.0906 11.0912 12.4351 12.4352 16.1086 16.1087 19.2883 19.2898 22.0366 22.0377 22.3033 22.3039 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030-0.0258 ( 603 PWs) bands (ev): -11.1489 -11.1489 -5.9455 -5.9454 3.4820 3.4841 4.2102 4.2131 4.5104 4.5133 11.8231 11.8282 12.1062 12.1109 15.7940 15.7943 18.9392 18.9407 21.9081 21.9097 22.4897 22.4935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030 0.1161 ( 604 PWs) bands (ev): -11.0544 -11.0544 -5.8884 -5.8883 2.9312 2.9333 3.9924 3.9949 4.9285 4.9291 11.3750 11.3760 12.3665 12.3672 15.9225 15.9228 19.1454 19.1467 21.9314 21.9323 22.4056 22.4076 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030 0.2579 ( 613 PWs) bands (ev): -10.6730 -10.6730 -5.6687 -5.6686 1.7034 1.7048 3.6594 3.6614 5.1004 5.1008 10.5964 10.5973 12.3811 12.3814 16.6932 16.6935 19.3863 19.3888 22.0175 22.0195 22.5069 22.5105 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.0030 0.3998 ( 610 PWs) bands (ev): -10.0474 -10.0473 -5.3446 -5.3443 0.6401 0.6413 3.1820 3.1838 4.6072 4.6084 9.8946 9.8966 11.8760 11.8764 18.0697 18.0711 19.2973 19.3010 21.4345 21.4384 23.4353 23.4407 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075 0.6319 ( 611 PWs) bands (ev): -8.5821 -8.5818 -4.9631 -4.9621 0.0474 0.0491 1.9666 1.9691 3.1191 3.1236 9.1567 9.1615 10.2949 10.2974 17.4149 17.4172 20.7347 20.7422 22.4751 22.4802 23.2672 23.2703 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075 0.7737 ( 613 PWs) bands (ev): -7.9190 -7.9186 -4.1572 -4.1558 -0.6855 -0.6834 1.6177 1.6199 2.5342 2.5388 8.0604 8.0657 9.7869 9.7894 16.4517 16.4539 20.6289 20.6352 22.5359 22.5446 24.3773 24.3830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075 0.9156 ( 610 PWs) bands (ev): -7.5735 -7.5732 -3.2114 -3.2095 -1.5765 -1.5743 1.7045 1.7071 2.0885 2.0933 7.3031 7.3085 9.5912 9.5930 15.7635 15.7656 20.4518 20.4566 22.5818 22.5914 24.7761 24.7810 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075 1.0574 ( 612 PWs) bands (ev): -7.5589 -7.5586 -3.1344 -3.1325 -1.6508 -1.6487 1.7231 1.7257 2.0576 2.0624 7.2664 7.2718 9.5840 9.5857 15.7298 15.7319 20.4411 20.4458 22.5871 22.5967 24.8003 24.8046 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075 1.1993 ( 613 PWs) bands (ev): -7.8733 -7.8730 -4.0742 -4.0727 -0.7619 -0.7597 1.6112 1.6134 2.4868 2.4914 7.9702 7.9755 9.7585 9.7610 16.3706 16.3727 20.6127 20.6188 22.5341 22.5429 24.4323 24.4384 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075 1.3411 ( 613 PWs) bands (ev): -8.5120 -8.5118 -4.8975 -4.8965 -0.0140 -0.0123 1.9139 1.9163 3.0624 3.0669 9.0562 9.0610 10.2319 10.2345 17.3287 17.3309 20.7290 20.7364 22.5319 22.5379 23.3581 23.3609 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075 1.4830 ( 609 PWs) bands (ev): -9.3230 -9.3229 -5.5581 -5.5576 0.7027 0.7042 2.6570 2.6601 3.6938 3.6982 10.0777 10.0813 11.0920 11.0931 18.1306 18.1329 20.6263 20.6325 21.0882 21.0902 23.0376 23.0441 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075-0.3611 ( 608 PWs) bands (ev): -10.0895 -10.0894 -6.1085 -6.1083 1.6443 1.6458 3.5585 3.5622 4.2710 4.2755 10.9757 10.9785 12.0480 12.0488 17.9190 17.9206 19.2082 19.2126 21.3251 21.3294 22.4356 22.4417 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075-0.2192 ( 610 PWs) bands (ev): -10.6647 -10.6646 -6.5236 -6.5235 2.7955 2.7972 4.3125 4.3167 4.6751 4.6794 11.8372 11.8391 12.7293 12.7304 16.2227 16.2231 18.9232 18.9254 21.6344 21.6364 21.8612 21.8654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075-0.0774 ( 599 PWs) bands (ev): -10.9744 -10.9743 -6.7522 -6.7521 3.9110 3.9134 4.6660 4.6699 4.7113 4.7148 12.5625 12.5634 12.9462 12.9465 15.0853 15.0853 18.3974 18.3977 21.7201 21.7202 22.1076 22.1081 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075 0.0645 ( 599 PWs) bands (ev): -10.9880 -10.9880 -6.7624 -6.7623 3.9960 3.9986 4.6438 4.6480 4.7196 4.7239 12.6145 12.6155 12.9385 12.9391 15.0323 15.0323 18.3628 18.3631 21.7451 21.7453 22.1173 22.1183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075 0.2063 ( 609 PWs) bands (ev): -10.7045 -10.7045 -6.5528 -6.5527 2.9036 2.9054 4.3640 4.3682 4.6970 4.7012 11.9114 11.9132 12.7704 12.7715 16.0831 16.0834 18.8806 18.8825 21.6221 21.6236 21.8827 21.8862 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075 0.3482 ( 608 PWs) bands (ev): -10.1512 -10.1511 -6.1526 -6.1524 1.7426 1.7440 3.6377 3.6415 4.3170 4.3215 11.0559 11.0586 12.1249 12.1258 17.7821 17.7836 19.1718 19.1761 21.3664 21.3706 22.3558 22.3619 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1075 0.4900 ( 608 PWs) bands (ev): -9.3974 -9.3973 -5.6126 -5.6121 0.7772 0.7787 2.7370 2.7402 3.7501 3.7545 10.1620 10.1654 11.1821 11.1831 18.1788 18.1810 20.4949 20.4998 21.0512 21.0542 23.0120 23.0186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119 0.7222 ( 615 PWs) bands (ev): -7.9354 -7.9350 -4.7010 -4.6997 -0.2717 -0.2694 1.2397 1.2408 3.0424 3.0463 8.2849 8.2889 10.2738 10.2770 16.7542 16.7560 20.4115 20.4156 21.9986 22.0053 24.5613 24.5626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119 0.8640 ( 617 PWs) bands (ev): -7.5079 -7.5076 -3.5647 -3.5628 -1.3719 -1.3694 1.4622 1.4642 2.3899 2.3939 7.1691 7.1734 10.0111 10.0134 15.9791 15.9811 19.9903 19.9930 21.9547 21.9615 25.2661 25.2706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119 1.0059 ( 612 PWs) bands (ev): -7.3875 -7.3872 -2.5605 -2.5582 -2.3378 -2.3355 1.7632 1.7648 1.9905 1.9950 6.7913 6.7956 9.9457 9.9474 15.7047 15.7067 19.8314 19.8338 21.9501 21.9567 25.5941 25.5953 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119 1.1477 ( 615 PWs) bands (ev): -7.5624 -7.5620 -3.7827 -3.7809 -1.1663 -1.1637 1.4008 1.4026 2.5000 2.5040 7.3282 7.3324 10.0421 10.0446 16.0932 16.0951 20.0564 20.0593 21.9574 21.9642 25.1717 25.1764 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119 1.2896 ( 613 PWs) bands (ev): -8.0452 -8.0448 -4.8876 -4.8865 -0.0767 -0.0745 1.2376 1.2385 3.1700 3.1739 8.5358 8.5398 10.3477 10.3510 16.9184 16.9203 20.4843 20.4887 22.0201 22.0268 24.2940 24.2944 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119 1.4314 ( 610 PWs) bands (ev): -8.7688 -8.7686 -5.7945 -5.7939 0.9937 0.9952 1.5057 1.5069 3.8762 3.8800 10.0076 10.0115 10.9047 10.9085 17.7758 17.7776 20.7081 20.7142 21.8657 21.8678 22.5212 22.5257 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119 1.5733 ( 605 PWs) bands (ev): -9.5417 -9.5416 -6.5207 -6.5204 2.0147 2.0170 2.3035 2.3069 4.5159 4.5195 11.3953 11.4010 11.6824 11.6873 18.2444 18.2462 19.6584 19.6625 20.9153 20.9196 22.1037 22.1095 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119-0.2708 ( 608 PWs) bands (ev): -10.1831 -10.1831 -7.0688 -7.0686 3.0509 3.0532 3.3560 3.3591 4.9921 4.9956 12.4516 12.4617 12.5805 12.5896 16.9269 16.9277 18.7272 18.7305 21.2229 21.2268 21.4577 21.4625 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119-0.1290 ( 602 PWs) bands (ev): -10.5883 -10.5883 -7.4078 -7.4077 4.0490 4.0516 4.2005 4.2033 5.2113 5.2142 13.1874 13.1957 13.2635 13.2715 15.2068 15.2069 18.1871 18.1879 21.3427 21.3440 21.5458 21.5487 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119 0.0129 ( 596 PWs) bands (ev): -10.7096 -10.7096 -7.5090 -7.5090 4.4878 4.4891 4.4927 4.4940 5.2064 5.2068 13.4733 13.4741 13.4861 13.4868 14.5713 14.5714 17.9035 17.9035 21.6498 21.6522 21.6612 21.6638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119 0.1547 ( 602 PWs) bands (ev): -10.5349 -10.5349 -7.3632 -7.3632 3.8877 3.8903 4.0789 4.0817 5.1939 5.1970 13.0781 13.0867 13.1709 13.1791 15.4609 15.4611 18.2923 18.2934 21.3071 21.3086 21.4983 21.5013 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119 0.2966 ( 610 PWs) bands (ev): -10.0819 -10.0819 -6.9836 -6.9835 2.8568 2.8591 3.1692 3.1724 4.9219 4.9254 12.2867 12.2969 12.4195 12.4285 17.2881 17.2892 18.7980 18.8019 21.1591 21.1631 21.5597 21.5648 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119 0.4385 ( 603 PWs) bands (ev): -9.4067 -9.4066 -6.4013 -6.4009 1.8347 1.8369 2.1228 2.1260 4.4089 4.4126 11.1620 11.1670 11.5282 11.5325 18.2230 18.2248 20.0422 20.0459 20.8836 20.8877 22.1986 22.2046 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2119 0.5803 ( 610 PWs) bands (ev): -8.6273 -8.6270 -5.6439 -5.6432 0.7996 0.8012 1.4190 1.4199 3.7499 3.7536 9.7374 9.7413 10.7851 10.7888 17.6346 17.6365 20.6872 20.6931 22.0405 22.0444 22.7494 22.7515 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164 0.8124 ( 618 PWs) bands (ev): -7.7064 -7.7060 -4.0506 -4.0491 -1.0018 -0.9994 1.4398 1.4417 2.7867 2.7901 7.3322 7.3354 10.3310 10.3334 16.7230 16.7249 19.4241 19.4276 21.7764 21.7829 25.2498 25.2524 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164 0.9543 ( 607 PWs) bands (ev): -7.5671 -7.5668 -2.8160 -2.8143 -1.9356 -1.9338 1.7149 1.7171 2.1624 2.1658 6.6437 6.6469 10.1416 10.1431 16.3438 16.3458 19.0264 19.0294 21.7695 21.7755 25.9544 25.9580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164 1.0961 ( 614 PWs) bands (ev): -7.6066 -7.6063 -3.3470 -3.3453 -1.4966 -1.4943 1.5557 1.5578 2.4169 2.4202 6.8562 6.8594 10.1958 10.1977 16.4631 16.4651 19.1472 19.1503 21.7729 21.7791 25.7354 25.7386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164 1.2380 ( 613 PWs) bands (ev): -7.8390 -7.8386 -4.6325 -4.6313 -0.6565 -0.6541 1.4610 1.4629 3.1183 3.1217 7.8690 7.8720 10.5077 10.5104 17.0038 17.0056 19.7349 19.7387 21.7740 21.7807 24.6391 24.6413 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164 1.3798 ( 611 PWs) bands (ev): -8.2990 -8.2987 -5.7984 -5.7976 -0.0294 -0.0277 1.9277 1.9297 3.8715 3.8750 9.2755 9.2780 11.1229 11.1259 17.6813 17.6832 20.3808 20.3855 21.6872 21.6931 22.7938 22.7960 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164 1.5217 ( 604 PWs) bands (ev): -8.9253 -8.9251 -6.7337 -6.7333 0.7122 0.7136 2.7718 2.7739 4.5835 4.5872 10.6715 10.6733 12.0350 12.0373 18.2020 18.2043 20.0826 20.0863 20.7017 20.7078 21.9744 21.9780 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164 1.6635 ( 606 PWs) bands (ev): -9.5483 -9.5482 -7.4275 -7.4273 1.7334 1.7346 3.6986 3.7007 5.1602 5.1638 11.8818 11.8837 13.0328 13.0340 17.4774 17.4787 18.8484 18.8518 20.7993 20.8030 21.4913 21.4938 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164-0.1805 ( 604 PWs) bands (ev): -10.0110 -10.0109 -7.8813 -7.8812 2.9279 2.9292 4.3788 4.3800 5.5107 5.5135 12.9046 12.9065 13.7468 13.7474 15.8112 15.8116 18.3960 18.3973 20.9887 20.9922 21.0815 21.0831 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164-0.0387 ( 602 PWs) bands (ev): -10.2262 -10.2262 -8.0831 -8.0831 3.9952 3.9964 4.3679 4.3686 5.6423 5.6443 13.6513 13.6529 13.8806 13.8815 14.9467 14.9468 17.8943 17.8947 21.0594 21.0621 21.1617 21.1632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164 0.1032 ( 603 PWs) bands (ev): -10.1621 -10.1621 -8.0235 -8.0235 3.5534 3.5547 4.4827 4.4829 5.6039 5.6061 13.3559 13.3576 13.9086 13.9087 15.2068 15.2070 18.0710 18.0715 21.0055 21.0080 21.1376 21.1379 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164 0.2450 ( 607 PWs) bands (ev): -9.8277 -9.8276 -7.7054 -7.7053 2.3782 2.3794 4.1271 4.1289 5.3829 5.3862 12.4658 12.4678 13.4782 13.4791 16.5105 16.5110 18.6452 18.6474 20.9134 20.9160 21.1983 21.2003 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164 0.3869 ( 604 PWs) bands (ev): -9.2771 -9.2770 -7.1416 -7.1413 1.2365 1.2378 3.2853 3.2875 4.9213 4.9250 11.3547 11.3565 12.5925 12.5942 18.1163 18.1189 19.1466 19.1511 20.7305 20.7353 21.7463 21.7493 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164 0.5287 ( 607 PWs) bands (ev): -8.6297 -8.6294 -6.3390 -6.3385 0.3426 0.3441 2.3610 2.3631 4.2707 4.2744 10.0567 10.0587 11.5904 11.5932 18.0101 18.0121 20.5245 20.5279 21.1259 21.1291 22.1430 22.1466 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.3164 0.6706 ( 611 PWs) bands (ev): -8.0622 -8.0618 -5.2936 -5.2927 -0.3068 -0.3048 1.6501 1.6521 3.5288 3.5323 8.6162 8.6190 10.8034 10.8064 17.3742 17.3760 20.1251 20.1295 21.7583 21.7650 23.6734 23.6756 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284-0.0903 ( 612 PWs) bands (ev): -8.0562 -8.0559 -3.0047 -3.0032 -1.4826 -1.4803 1.8159 1.8193 2.4850 2.4875 6.8253 6.8278 10.0353 10.0368 17.4438 17.4462 18.5958 18.5994 21.9880 21.9948 25.2642 25.2662 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284 0.0516 ( 611 PWs) bands (ev): -8.0515 -8.0513 -2.6851 -2.6836 -1.6790 -1.6769 1.8340 1.8377 2.3541 2.3562 6.7183 6.7208 9.9816 9.9831 17.4015 17.4039 18.5053 18.5087 21.9931 21.9998 25.4311 25.4331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284 0.1934 ( 611 PWs) bands (ev): -8.0893 -8.0891 -3.9843 -3.9831 -1.1193 -1.1169 1.9546 1.9577 2.9508 2.9537 7.3539 7.3563 10.3267 10.3286 17.6416 17.6438 19.0529 19.0571 21.9500 21.9570 24.4350 24.4373 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284 0.3353 ( 613 PWs) bands (ev): -8.2266 -8.2264 -5.3514 -5.3506 -0.8911 -0.8893 2.5865 2.5895 3.6865 3.6901 8.4452 8.4472 11.0889 11.0908 18.0313 18.0336 19.9114 19.9165 21.7302 21.7367 22.7620 22.7660 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284 0.4771 ( 612 PWs) bands (ev): -8.5174 -8.5171 -6.5541 -6.5537 -0.4867 -0.4854 3.4311 3.4342 4.4227 4.4268 9.6589 9.6608 12.1743 12.1756 18.3868 18.3903 19.9903 19.9946 20.8012 20.8074 21.9079 21.9136 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284 0.6190 ( 609 PWs) bands (ev): -8.9236 -8.9235 -7.4882 -7.4880 0.3316 0.3327 4.2389 4.2419 5.0526 5.0567 10.8743 10.8767 13.2648 13.2656 17.7064 17.7086 19.1910 19.1959 20.6701 20.6758 21.5163 21.5194 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284 0.7608 ( 607 PWs) bands (ev): -9.3205 -9.3204 -8.1170 -8.1169 1.5156 1.5167 4.6824 4.6834 5.4938 5.4967 12.0644 12.0669 13.9814 13.9816 16.3677 16.3681 18.9537 18.9549 20.6971 20.6982 21.0501 21.0506 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284-1.0832 ( 601 PWs) bands (ev): -9.5745 -9.5744 -8.4457 -8.4457 2.8692 2.8704 4.3211 4.3221 5.7793 5.7820 13.1355 13.1375 14.0248 14.0255 15.8267 15.8274 18.3213 18.3223 20.7057 20.7085 20.8823 20.8842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284-0.9414 ( 603 PWs) bands (ev): -9.6069 -9.6069 -8.4849 -8.4848 3.2258 3.2270 4.0833 4.0845 5.8189 5.8217 13.3850 13.3868 13.9052 13.9062 15.8058 15.8065 18.1855 18.1863 20.6778 20.6812 20.9040 20.9054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284-0.7995 ( 603 PWs) bands (ev): -9.4085 -9.4084 -8.2358 -8.2357 1.8793 1.8805 4.6734 4.6736 5.5880 5.5907 12.3746 12.3770 14.0703 14.0703 16.1285 16.1290 18.8028 18.8039 20.7282 20.7284 20.9461 20.9477 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284-0.6577 ( 610 PWs) bands (ev): -9.0390 -9.0389 -7.6902 -7.6900 0.6243 0.6254 4.4161 4.4188 5.1915 5.1955 11.2036 11.2060 13.5113 13.5119 17.2989 17.3002 19.1589 19.1624 20.6598 20.6644 21.3893 21.3915 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284-0.5158 ( 611 PWs) bands (ev): -8.6209 -8.6207 -6.8382 -6.8378 -0.3061 -0.3049 3.6651 3.6682 4.6100 4.6142 9.9910 9.9930 12.4881 12.4893 18.3918 18.3959 19.6481 19.6547 20.7316 20.7390 21.8096 21.8146 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284-0.3740 ( 616 PWs) bands (ev): -8.2902 -8.2899 -5.7015 -5.7008 -0.8155 -0.8139 2.8076 2.8107 3.8913 3.8950 8.7732 8.7752 11.3626 11.3644 18.1450 18.1475 20.0926 20.0974 21.5408 21.5459 22.3714 22.3767 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7284-0.2321 ( 610 PWs) bands (ev): -8.1137 -8.1134 -4.3641 -4.3631 -1.0448 -1.0426 2.0868 2.0898 3.1458 3.1489 7.6229 7.6252 10.4934 10.4954 17.7387 17.7408 19.2837 19.2882 21.9201 21.9272 24.0107 24.0132 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6239-0.0000 ( 599 PWs) bands (ev): -8.7088 -8.7086 -2.0519 -2.0512 -1.7098 -1.7068 2.0798 2.0852 2.4969 2.4977 6.9512 6.9535 9.5458 9.5474 18.4809 18.4844 18.5263 18.5293 22.4990 22.5071 24.5182 24.5196 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6239 0.1419 ( 605 PWs) bands (ev): -8.6726 -8.6724 -3.0977 -3.0966 -1.3063 -1.3039 2.3707 2.3759 2.7961 2.7986 7.1803 7.1826 9.8632 9.8648 18.4840 18.4872 18.9361 18.9411 22.4029 22.4109 23.8901 23.8931 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6239 0.2837 ( 611 PWs) bands (ev): -8.6024 -8.6022 -4.5034 -4.5026 -1.3187 -1.3169 3.0769 3.0822 3.4862 3.4898 7.7915 7.7936 10.7558 10.7571 18.6626 18.6652 19.7345 19.7399 21.7964 21.8023 22.7568 22.7649 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6239 0.4256 ( 616 PWs) bands (ev): -8.5889 -8.5887 -5.8415 -5.8411 -1.2731 -1.2717 3.8216 3.8262 4.3153 4.3187 8.6617 8.6641 11.9830 11.9838 18.8143 18.8190 19.9449 19.9506 20.6905 20.6970 22.2239 22.2322 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6239 0.5674 ( 609 PWs) bands (ev): -8.6928 -8.6927 -6.9717 -6.9714 -0.7934 -0.7923 4.5265 4.5308 4.9524 4.9559 9.7195 9.7223 13.1445 13.1448 17.9304 17.9324 19.5152 19.5212 20.6627 20.6699 21.7617 21.7684 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6239 0.7093 ( 607 PWs) bands (ev): -8.8715 -8.8714 -7.8242 -7.8241 0.1848 0.1858 5.0223 5.0235 5.1628 5.1660 10.9024 10.9054 13.8499 13.8499 16.8720 16.8721 19.4678 19.4693 20.5685 20.5691 21.2876 21.2917 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6239 0.8511 ( 604 PWs) bands (ev): -9.0226 -9.0224 -8.3603 -8.3602 1.5370 1.5381 4.3477 4.3493 5.5744 5.5777 12.1062 12.1087 13.8531 13.8539 16.7237 16.7246 18.9427 18.9447 20.6048 20.6067 20.9426 20.9428 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.6239-0.9930 ( 604 PWs) bands (ev): -9.0771 -9.0769 -8.5466 -8.5463 2.9262 2.9267 3.1571 3.1584 5.7274 5.7307 13.0492 13.0502 13.3053 13.3087 17.0492 17.0505 18.4234 18.4236 20.4949 20.4964 20.9540 20.9550 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194 0.0903 ( 602 PWs) bands (ev): -9.3645 -9.3644 -2.4605 -2.4597 -1.0976 -1.0956 2.4543 2.4589 2.9567 2.9584 7.4258 7.4287 9.4130 9.4146 19.1012 19.1046 19.5149 19.5191 22.6782 22.6846 23.3498 23.3585 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194 0.2321 ( 605 PWs) bands (ev): -9.2080 -9.2079 -3.6067 -3.6060 -1.2884 -1.2867 2.7910 2.7943 3.8440 3.8451 7.5375 7.5401 10.3616 10.3630 19.2810 19.2841 19.9544 19.9594 21.3843 21.3886 23.2587 23.2681 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194 0.3740 ( 613 PWs) bands (ev): -8.9948 -8.9947 -4.9024 -4.9020 -1.5317 -1.5303 3.3123 3.3155 4.8158 4.8164 7.9795 7.9822 11.6280 11.6289 19.2489 19.2543 19.9011 19.9085 20.5302 20.5373 22.9470 22.9551 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194 0.5158 ( 612 PWs) bands (ev): -8.8485 -8.8484 -6.0543 -6.0541 -1.4526 -1.4514 3.9264 3.9295 5.4267 5.4270 8.7479 8.7508 12.7694 12.7698 18.1900 18.1912 19.5997 19.6044 20.7112 20.7162 22.4957 22.5022 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194 0.6577 ( 609 PWs) bands (ev): -8.8493 -8.8492 -6.9435 -6.9434 -0.8382 -0.8371 4.5284 4.5314 5.3585 5.3588 9.7528 9.7556 13.4099 13.4099 17.4224 17.4228 19.5237 19.5261 20.6380 20.6393 21.9980 22.0034 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194 0.7995 ( 609 PWs) bands (ev): -8.9520 -8.9519 -7.5214 -7.5212 0.3016 0.3027 4.4110 4.4142 5.0713 5.0755 10.8806 10.8831 13.3839 13.3845 17.5247 17.5264 19.2155 19.2198 20.6603 20.6656 21.5149 21.5180 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194 0.9414 ( 605 PWs) bands (ev): -9.0373 -9.0371 -7.7840 -7.7837 1.7945 1.7957 2.9833 2.9850 5.3103 5.3138 11.9463 11.9476 12.8212 12.8238 18.1549 18.1581 18.8089 18.8136 20.6353 20.6384 21.2138 21.2153 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194-0.9027 ( 603 PWs) bands (ev): -9.0221 -9.0219 -7.7428 -7.7426 1.3670 1.3682 3.4060 3.4078 5.2696 5.2732 11.6839 11.6856 13.0052 13.0070 17.9803 17.9833 18.9186 18.9235 20.6605 20.6645 21.2578 21.2592 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194-0.7608 ( 607 PWs) bands (ev): -8.9206 -8.9205 -7.3955 -7.3953 -0.0536 -0.0526 4.6813 4.6862 5.0005 5.0058 10.5686 10.5713 13.4552 13.4556 17.4168 17.4180 19.3184 19.3222 20.6435 20.6484 21.6415 21.6455 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194-0.6190 ( 609 PWs) bands (ev): -8.8348 -8.8347 -6.7308 -6.7307 -1.0620 -1.0609 4.3735 4.3766 5.4569 5.4570 9.4613 9.4642 13.2996 13.2996 17.5488 17.5492 19.5641 19.5667 20.6584 20.6590 22.1341 22.1398 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194-0.4771 ( 613 PWs) bands (ev): -8.8752 -8.8751 -5.7628 -5.7626 -1.5224 -1.5211 3.7550 3.7582 5.3156 5.3160 8.5106 8.5134 12.4944 12.4949 18.5148 18.5167 19.6081 19.6135 20.7029 20.7090 22.6272 22.6341 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194-0.3353 ( 612 PWs) bands (ev): -9.0517 -9.0516 -4.5557 -4.5552 -1.4835 -1.4820 3.1572 3.1604 4.5714 4.5721 7.8238 7.8264 11.2769 11.2780 19.3124 19.3170 20.2332 20.2395 20.4230 20.4300 23.0491 23.0577 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194-0.1934 ( 603 PWs) bands (ev): -9.2609 -9.2607 -3.2588 -3.2580 -1.2143 -1.2125 2.6765 2.6800 3.5687 3.5699 7.4785 7.4812 10.0517 10.0532 19.2433 19.2463 19.7947 19.7995 21.7879 21.7926 23.3099 23.3194 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5194-0.0516 ( 601 PWs) bands (ev): -9.3854 -9.3852 -2.2633 -2.2625 -1.0922 -1.0902 2.4089 2.4142 2.8181 2.8201 7.4287 7.4317 9.2755 9.2770 19.0550 19.0584 19.4721 19.4761 22.9063 22.9134 23.3186 23.3263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150 0.1805 ( 606 PWs) bands (ev): -9.8576 -9.8575 -3.1529 -3.1524 -0.7228 -0.7216 2.4749 2.4774 4.1577 4.1592 7.7720 7.7750 10.1544 10.1560 19.6636 19.6668 20.4087 20.4149 20.8512 20.8548 23.7302 23.7402 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150 0.3224 ( 612 PWs) bands (ev): -9.5470 -9.5469 -4.1224 -4.1221 -1.2297 -1.2284 2.6461 2.6487 5.2303 5.2313 7.8013 7.8037 11.3352 11.3363 19.3166 19.3178 19.6425 19.6464 20.9198 20.9232 23.6728 23.6805 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150 0.4642 ( 608 PWs) bands (ev): -9.1954 -9.1954 -5.1480 -5.1478 -1.5119 -1.5107 3.0726 3.0753 5.8261 5.8265 8.2162 8.2184 12.3343 12.3347 18.3589 18.3592 19.4313 19.4348 21.0025 21.0048 23.3353 23.3406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150 0.6061 ( 613 PWs) bands (ev): -8.9606 -8.9606 -5.9762 -5.9760 -1.3534 -1.3522 3.6331 3.6358 5.6270 5.6272 8.9179 8.9203 12.8186 12.8188 17.9860 17.9868 19.2911 19.2934 20.8091 20.8115 22.9214 22.9258 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150 0.7479 ( 609 PWs) bands (ev): -8.9212 -8.9210 -6.5179 -6.5176 -0.6111 -0.6099 4.1017 4.1054 4.6856 4.6886 9.7927 9.7950 12.7119 12.7125 18.1753 18.1784 19.2781 19.2834 20.6719 20.6784 22.4728 22.4768 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150 0.8898 ( 605 PWs) bands (ev): -8.9801 -8.9799 -6.7932 -6.7929 0.6587 0.6600 3.0042 3.0064 4.6254 4.6291 10.7124 10.7142 12.1853 12.1872 18.2289 18.2314 19.8394 19.8435 20.6979 20.7039 21.9832 21.9866 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150 1.0317 ( 607 PWs) bands (ev): -8.9987 -8.9985 -6.8422 -6.8419 1.3525 1.3540 2.2620 2.2640 4.6921 4.6956 11.0504 11.0526 11.9173 11.9207 18.2021 18.2039 20.1346 20.1376 20.6871 20.6919 21.8157 21.8197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150-0.8124 ( 609 PWs) bands (ev): -8.9455 -8.9454 -6.6731 -6.6728 -0.0889 -0.0876 3.8232 3.8271 4.5060 4.5106 10.2164 10.2185 12.5089 12.5100 18.2419 18.2453 19.4573 19.4628 20.6768 20.6836 22.2500 22.2537 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150-0.6706 ( 611 PWs) bands (ev): -8.9207 -8.9207 -6.2584 -6.2581 -1.0898 -1.0886 3.8845 3.8873 5.2616 5.2622 9.3006 9.3030 12.8366 12.8370 18.0362 18.0379 19.2487 19.2522 20.7207 20.7255 22.7243 22.7286 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150-0.5287 ( 611 PWs) bands (ev): -9.0657 -9.0656 -5.5576 -5.5574 -1.5069 -1.5057 3.3200 3.3227 5.8435 5.8435 8.5068 8.5091 12.6305 12.6306 18.1002 18.1005 19.3614 19.3641 20.9327 20.9332 23.1497 23.1544 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150-0.3869 ( 606 PWs) bands (ev): -9.3830 -9.3829 -4.6013 -4.6010 -1.3984 -1.3972 2.8145 2.8171 5.5847 5.5854 7.9467 7.9491 11.8355 11.8363 18.8391 18.8394 19.5312 19.5353 21.0011 21.0045 23.5402 23.5467 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150-0.2450 ( 609 PWs) bands (ev): -9.7305 -9.7303 -3.5626 -3.5621 -0.9681 -0.9668 2.5150 2.5176 4.6762 4.6775 7.7345 7.7372 10.6879 10.6892 19.6153 19.6190 20.0797 20.0829 20.7734 20.7751 23.7509 23.7600 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150-0.1032 ( 610 PWs) bands (ev): -9.9661 -9.9660 -2.7907 -2.7900 -0.4404 -0.4392 2.5264 2.5293 3.5459 3.5476 7.9118 7.9155 9.5888 9.5906 19.6655 19.6682 20.3463 20.3502 21.3957 21.3980 23.6096 23.6203 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4150 0.0387 ( 607 PWs) bands (ev): -10.0130 -10.0129 -2.6319 -2.6311 -0.2828 -0.2816 2.6645 2.6684 3.1285 3.1308 8.0460 8.0504 9.2693 9.2715 19.6511 19.6536 20.2950 20.2983 21.7360 21.7374 23.4914 23.5025 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105 0.2708 ( 610 PWs) bands (ev): -10.1110 -10.1109 -3.8473 -3.8469 -0.4571 -0.4566 2.2790 2.2806 5.4168 5.4176 8.1337 8.1357 11.2618 11.2628 18.6193 18.6207 19.8112 19.8157 21.5221 21.5246 24.0156 24.0229 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105 0.4127 ( 609 PWs) bands (ev): -9.6433 -9.6432 -4.5331 -4.5330 -1.0159 -1.0151 2.3305 2.3323 6.0089 6.0091 8.1833 8.1847 12.0169 12.0171 18.2241 18.2244 19.3534 19.3570 21.3930 21.3939 23.9372 23.9417 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105 0.5545 ( 610 PWs) bands (ev): -9.1796 -9.1795 -5.1950 -5.1949 -1.2464 -1.2453 2.6777 2.6798 5.7426 5.7432 8.5311 8.5329 12.2529 12.2535 18.4647 18.4656 19.0194 19.0216 20.9992 21.0022 23.6653 23.6690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105 0.6964 ( 611 PWs) bands (ev): -8.8986 -8.8985 -5.6211 -5.6206 -1.0044 -1.0032 3.1679 3.1703 4.7149 4.7160 9.0537 9.0559 11.9858 11.9866 18.4285 18.4320 19.5890 19.5932 20.6760 20.6831 23.3044 23.3090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105 0.8382 ( 609 PWs) bands (ev): -8.8321 -8.8319 -5.8116 -5.8110 -0.1743 -0.1729 3.0225 3.0262 3.8091 3.8137 9.6629 9.6654 11.4407 11.4422 18.0449 18.0473 20.5660 20.5699 20.8931 20.8961 22.8497 22.8546 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105 0.9801 ( 608 PWs) bands (ev): -8.8401 -8.8399 -5.8672 -5.8666 1.0525 1.0540 1.5952 1.5968 3.9374 3.9411 10.1363 10.1402 10.9728 10.9766 17.8438 17.8457 20.7151 20.7213 21.7100 21.7120 22.4637 22.4691 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105 1.1219 ( 609 PWs) bands (ev): -8.8325 -8.8323 -5.8294 -5.8289 0.0352 0.0366 2.7668 2.7698 3.8323 3.8365 9.7738 9.7765 11.3326 11.3345 17.9867 17.9890 20.6161 20.6214 21.0778 21.0795 22.7647 22.7696 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105-0.7222 ( 610 PWs) bands (ev): -8.8735 -8.8734 -5.6702 -5.6697 -0.8976 -0.8963 3.2477 3.2502 4.4781 4.4795 9.1604 9.1627 11.9001 11.9009 18.3596 18.3629 19.7909 19.7952 20.6544 20.6620 23.2267 23.2315 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105-0.5803 ( 606 PWs) bands (ev): -9.1108 -9.1108 -5.2930 -5.2927 -1.2428 -1.2416 2.7633 2.7654 5.6036 5.6042 8.6162 8.6181 12.2366 12.2372 18.5335 18.5354 19.0122 19.0147 20.9227 20.9265 23.6076 23.6115 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105-0.4385 ( 606 PWs) bands (ev): -9.5532 -9.5531 -4.6637 -4.6637 -1.0852 -1.0842 2.3740 2.3759 6.0272 6.0272 8.2283 8.2297 12.1025 12.1026 18.2222 18.2224 19.2780 19.2814 21.3353 21.3356 23.8944 23.8985 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105-0.2966 ( 612 PWs) bands (ev): -10.0334 -10.0333 -3.9601 -3.9598 -0.5796 -0.5790 2.2646 2.2663 5.5791 5.5799 8.1151 8.1170 11.4281 11.4290 18.5066 18.5077 19.7259 19.7301 21.5229 21.5253 24.0318 24.0385 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105-0.1547 ( 612 PWs) bands (ev): -10.3895 -10.3894 -3.4617 -3.4612 0.1619 0.1624 2.4725 2.4741 4.4969 4.4981 8.3807 8.3836 10.4396 10.4411 19.2095 19.2119 20.1836 20.1892 21.4227 21.4248 23.7383 23.7479 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105-0.0129 ( 610 PWs) bands (ev): -10.5324 -10.5323 -3.2853 -3.2847 0.6676 0.6684 3.0753 3.0789 3.3334 3.3365 8.8681 8.8743 9.6298 9.6341 19.6265 19.6287 20.5243 20.5305 21.2671 21.2700 23.3721 23.3835 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.3105 0.1290 ( 613 PWs) bands (ev): -10.4329 -10.4328 -3.4061 -3.4056 0.2964 0.2969 2.5478 2.5494 4.2703 4.2715 8.4694 8.4727 10.2554 10.2570 19.3296 19.3322 20.2631 20.2689 21.3886 21.3906 23.6495 23.6596 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575 0.4513 ( 606 PWs) bands (ev): -9.3544 -9.3544 -5.1596 -5.1595 -0.7279 -0.7279 2.0170 2.0172 5.9548 5.9548 8.9150 8.9152 12.3139 12.3139 18.1508 18.1516 18.6213 18.6233 21.2094 21.2094 24.0848 24.0861 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575 0.5932 ( 609 PWs) bands (ev): -9.1639 -9.1638 -5.2526 -5.2524 -0.7788 -0.7783 2.1091 2.1100 5.5654 5.5662 8.9733 8.9745 12.1025 12.1032 18.3698 18.3721 18.7894 18.7911 21.0128 21.0168 24.0019 24.0046 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575 0.7351 ( 608 PWs) bands (ev): -9.2063 -9.2061 -5.0919 -5.0914 -0.4460 -0.4450 2.4735 2.4749 4.4841 4.4853 9.1411 9.1435 11.4436 11.4444 18.2553 18.2579 19.9053 19.9073 20.9041 20.9099 23.8209 23.8257 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575 0.8769 ( 610 PWs) bands (ev): -9.3251 -9.3249 -4.9147 -4.9141 0.3924 0.3937 2.5901 2.5933 3.3129 3.3173 9.4646 9.4687 10.6520 10.6524 18.1315 18.1341 20.7543 20.7625 21.3663 21.3678 23.5241 23.5313 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575 1.0188 ( 609 PWs) bands (ev): -9.3643 -9.3642 -4.8684 -4.8677 1.0336 1.0346 2.0170 2.0195 3.2044 3.2089 9.7099 9.7169 10.2671 10.2702 18.0877 18.0902 20.8063 20.8143 21.9003 21.9029 23.3058 23.3155 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575 1.1606 ( 610 PWs) bands (ev): -9.2852 -9.2850 -4.9671 -4.9665 0.0323 0.0335 2.6624 2.6644 3.6558 3.6583 9.3266 9.3299 10.9347 10.9352 18.1738 18.1765 20.6094 20.6154 21.0395 21.0408 23.6469 23.6531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575 1.3025 ( 609 PWs) bands (ev): -9.1712 -9.1711 -5.1666 -5.1662 -0.6224 -0.6216 2.3278 2.3291 4.9337 4.9348 9.0651 9.0671 11.7157 11.7166 18.2990 18.3015 19.4594 19.4612 20.9217 20.9273 23.9009 23.9051 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575-0.5416 ( 605 PWs) bands (ev): -9.2040 -9.2039 -5.2540 -5.2539 -0.7971 -0.7967 2.0329 2.0335 5.8036 5.8041 8.9402 8.9411 12.2453 12.2458 18.3734 18.3749 18.5501 18.5514 21.0841 21.0867 24.0395 24.0413 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575-0.3998 ( 611 PWs) bands (ev): -9.4748 -9.4747 -5.0638 -5.0637 -0.6297 -0.6294 2.0758 2.0760 5.8779 5.8781 8.9227 8.9232 12.2413 12.2416 18.1107 18.1116 18.7422 18.7445 21.2669 21.2683 24.1011 24.1032 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575-0.2579 ( 611 PWs) bands (ev): -9.8365 -9.8364 -4.7773 -4.7769 -0.0733 -0.0726 2.4055 2.4064 5.1096 5.1105 9.0681 9.0699 11.6886 11.6894 18.3727 18.3744 19.2499 19.2532 21.3539 21.3577 24.0286 24.0338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575-0.1161 ( 613 PWs) bands (ev): -10.1018 -10.1017 -4.6106 -4.6102 0.9230 0.9240 2.7155 2.7170 3.8673 3.8692 9.4567 9.4603 10.8669 10.8682 18.7424 18.7448 19.9776 19.9819 21.3790 21.3822 23.5814 23.5903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575 0.0258 ( 608 PWs) bands (ev): -10.1716 -10.1715 -4.5764 -4.5760 1.5337 1.5342 2.6775 2.6809 3.3142 3.3187 9.7598 9.7665 10.4323 10.4362 18.8416 18.8439 20.3025 20.3074 21.3936 21.3964 23.2961 23.3070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575 0.1676 ( 612 PWs) bands (ev): -10.0246 -10.0245 -4.6534 -4.6530 0.5229 0.5238 2.6308 2.6320 4.3319 4.3331 9.2864 9.2891 11.1733 11.1741 18.6306 18.6328 19.7049 19.7088 21.3714 21.3750 23.7861 23.7937 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2575 0.3095 ( 607 PWs) bands (ev): -9.7079 -9.7078 -4.8745 -4.8742 -0.3298 -0.3292 2.2684 2.2691 5.4721 5.4728 8.9902 8.9915 11.9392 11.9398 18.2322 18.2335 19.0348 19.0378 21.3338 21.3370 24.0873 24.0913 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530 0.5416 ( 610 PWs) bands (ev): -9.1563 -9.1562 -5.2264 -5.2261 -0.7332 -0.7326 2.1926 2.1937 5.3243 5.3252 9.0069 9.0085 11.9546 11.9555 18.3404 18.3427 19.0521 19.0539 20.9664 20.9713 23.9648 23.9682 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530 0.6835 ( 610 PWs) bands (ev): -8.9392 -8.9390 -4.8762 -4.8756 -0.6001 -0.5998 2.0766 2.0778 4.3401 4.3416 8.7971 8.7999 11.0737 11.0747 18.1597 18.1627 20.4802 20.4824 20.7526 20.7573 23.7848 23.7900 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530 0.8253 ( 610 PWs) bands (ev): -8.9293 -8.9291 -4.3709 -4.3701 -0.2083 -0.2076 2.1774 2.1792 3.1505 3.1532 8.7133 8.7178 10.1806 10.1808 17.8456 17.8485 20.5881 20.5958 22.0761 22.0793 23.6557 23.6624 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530 0.9672 ( 612 PWs) bands (ev): -8.9620 -8.9618 -4.0803 -4.0793 0.2971 0.2985 1.8912 1.8941 2.6348 2.6397 8.7496 8.7562 9.6679 9.6694 17.6490 17.6516 20.5222 20.5287 23.1601 23.1613 23.5996 23.6097 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530 1.1090 ( 613 PWs) bands (ev): -8.9440 -8.9438 -4.2222 -4.2212 -0.0060 -0.0050 2.1482 2.1507 2.8190 2.8231 8.7197 8.7251 9.9268 9.9272 17.7468 17.7495 20.5558 20.5630 22.5659 22.5690 23.6518 23.6593 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530 1.2509 ( 607 PWs) bands (ev): -8.9198 -8.9196 -4.6928 -4.6921 -0.4883 -0.4878 2.1064 2.1078 3.9054 3.9071 8.7494 8.7528 10.7302 10.7311 18.0489 18.0519 20.6500 20.6590 21.1093 21.1130 23.7133 23.7190 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530 1.3927 ( 608 PWs) bands (ev): -9.0467 -9.0466 -5.1319 -5.1315 -0.7171 -0.7166 2.1123 2.1134 5.0161 5.0173 8.9191 8.9211 11.6606 11.6615 18.3084 18.3111 19.5237 19.5251 20.8648 20.8707 23.9179 23.9220 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530-0.4513 ( 609 PWs) bands (ev): -9.4170 -9.4170 -5.3149 -5.3146 -0.6393 -0.6384 2.4264 2.4276 5.6696 5.6701 9.1901 9.1910 12.3323 12.3327 18.0431 18.0445 18.7408 18.7431 21.1712 21.1737 23.9703 23.9723 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530-0.3095 ( 608 PWs) bands (ev): -9.8888 -9.8888 -5.3763 -5.3760 -0.0725 -0.0714 2.9238 2.9252 5.5684 5.5686 9.5752 9.5759 12.4464 12.4466 17.5237 17.5242 18.9867 18.9890 21.4593 21.4605 23.7713 23.7731 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530-0.1676 ( 609 PWs) bands (ev): -10.2646 -10.2646 -5.4452 -5.4449 1.0131 1.0144 3.3506 3.3525 4.6892 4.6903 10.1334 10.1353 12.0014 12.0019 17.7374 17.7385 19.3194 19.3231 21.6081 21.6117 23.1499 23.1552 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530-0.0258 ( 607 PWs) bands (ev): -10.4321 -10.4320 -5.4900 -5.4898 2.2988 2.3003 3.1165 3.1201 3.8805 3.8849 10.8110 10.8175 11.3055 11.3101 18.1655 18.1676 19.4638 19.4694 21.6120 21.6161 22.5629 22.5717 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530 0.1161 ( 607 PWs) bands (ev): -10.3529 -10.3529 -5.4676 -5.4674 1.4955 1.4969 3.4102 3.4127 4.2787 4.2810 10.3817 10.3843 11.7499 11.7508 17.9216 17.9231 19.4028 19.4072 21.6220 21.6258 22.8676 22.8744 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530 0.2579 ( 606 PWs) bands (ev): -10.0445 -10.0444 -5.4000 -5.3998 0.2696 0.2707 3.1026 3.1042 5.3236 5.3241 9.7556 9.7567 12.3389 12.3392 17.5253 17.5259 19.1136 19.1163 21.5320 21.5343 23.6026 23.6054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.1530 0.3998 ( 607 PWs) bands (ev): -9.5886 -9.5886 -5.3402 -5.3399 -0.4974 -0.4965 2.5981 2.5994 5.7312 5.7314 9.3140 9.3146 12.4462 12.4464 17.7775 17.7783 18.7978 18.7999 21.2873 21.2884 23.9309 23.9323 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485 0.6319 ( 610 PWs) bands (ev): -8.7587 -8.7585 -5.0449 -5.0443 -0.7432 -0.7420 2.5121 2.5141 3.9396 3.9413 8.8439 8.8469 11.0268 11.0278 18.0486 18.0516 20.5972 20.6045 20.9237 20.9259 23.5213 23.5269 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485 0.7737 ( 610 PWs) bands (ev): -8.5336 -8.5333 -4.2881 -4.2871 -0.6311 -0.6300 2.1806 2.1830 2.9582 2.9612 8.3194 8.3239 10.0612 10.0622 17.5518 17.5545 20.3320 20.3389 22.5855 22.5907 23.5238 23.5299 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485 0.9156 ( 607 PWs) bands (ev): -8.4821 -8.4818 -3.5826 -3.5813 -0.5461 -0.5447 1.9408 1.9445 2.3463 2.3515 7.9394 7.9451 9.5224 9.5230 17.1449 17.1475 20.0908 20.0963 23.3520 23.3623 24.1342 24.1370 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485 1.0574 ( 606 PWs) bands (ev): -8.4810 -8.4808 -3.5427 -3.5414 -0.5440 -0.5425 1.9186 1.9224 2.3274 2.3326 7.9199 7.9256 9.4992 9.4997 17.1243 17.1268 20.0781 20.0836 23.3766 23.3871 24.1859 24.1887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485 1.1993 ( 610 PWs) bands (ev): -8.5240 -8.5237 -4.2139 -4.2129 -0.6189 -0.6178 2.1594 2.1619 2.8771 2.8803 8.2762 8.2808 9.9913 9.9923 17.5055 17.5083 20.3058 20.3125 22.7047 22.7103 23.5540 23.5598 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485 1.3411 ( 611 PWs) bands (ev): -8.7277 -8.7275 -4.9846 -4.9839 -0.7395 -0.7383 2.4734 2.4754 3.8496 3.8514 8.7935 8.7966 10.9292 10.9303 18.0092 18.0122 20.5772 20.5847 21.0851 21.0876 23.5071 23.5129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485 1.4830 ( 609 PWs) bands (ev): -9.1766 -9.1765 -5.5394 -5.5390 -0.6123 -0.6111 2.9770 2.9789 4.7540 4.7550 9.3737 9.3757 11.9820 11.9827 18.2502 18.2528 19.3804 19.3832 20.8735 20.8794 23.5933 23.5972 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485-0.3611 ( 610 PWs) bands (ev): -9.7431 -9.7430 -5.9310 -5.9308 0.0054 0.0066 3.5642 3.5661 5.2765 5.2769 10.0274 10.0288 12.7239 12.7241 17.4419 17.4426 18.9491 18.9512 21.2398 21.2420 23.2999 23.3016 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485-0.2192 ( 612 PWs) bands (ev): -10.2251 -10.2251 -6.2284 -6.2283 1.1075 1.1088 4.0654 4.0675 5.1109 5.1114 10.7802 10.7814 12.8834 12.8835 16.7772 16.7774 19.0952 19.0975 21.5395 21.5407 22.5529 22.5545 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485-0.0774 ( 612 PWs) bands (ev): -10.4979 -10.4979 -6.4010 -6.4009 2.4924 2.4941 3.9974 4.0013 4.5440 4.5485 11.6056 11.6081 12.4727 12.4741 16.8517 16.8523 19.0344 19.0377 21.5912 21.5951 21.8998 21.9061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485 0.0645 ( 609 PWs) bands (ev): -10.5101 -10.5101 -6.4089 -6.4087 2.6196 2.6213 3.9089 3.9126 4.5375 4.5418 11.6790 11.6819 12.4159 12.4177 16.8717 16.8724 19.0183 19.0217 21.5825 21.5865 21.8790 21.8855 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485 0.2063 ( 611 PWs) bands (ev): -10.2597 -10.2597 -6.2500 -6.2499 1.2259 1.2272 4.0991 4.1013 5.0579 5.0586 10.8536 10.8549 12.8671 12.8672 16.7590 16.7592 19.1030 19.1053 21.5570 21.5584 22.4722 22.4742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485 0.3482 ( 609 PWs) bands (ev): -9.7929 -9.7929 -5.9619 -5.9617 0.0875 0.0887 3.6161 3.6181 5.2935 5.2939 10.0915 10.0928 12.7646 12.7647 17.3500 17.3506 18.9598 18.9619 21.2729 21.2749 23.2503 23.2518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0485 0.4900 ( 610 PWs) bands (ev): -9.2265 -9.2264 -5.5799 -5.5795 -0.5782 -0.5770 3.0292 3.0311 4.8221 4.8231 9.4297 9.4316 12.0680 12.0687 18.2322 18.2347 19.2673 19.2702 20.9044 20.9100 23.5850 23.5887 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560 0.7222 ( 612 PWs) bands (ev): -8.2292 -8.2289 -4.6406 -4.6396 -0.7458 -0.7440 2.2539 2.2574 2.9382 2.9429 8.2933 8.2971 10.3254 10.3275 17.3695 17.3719 20.1660 20.1721 22.4187 22.4265 23.5783 23.5816 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560 0.8640 ( 612 PWs) bands (ev): -8.0230 -8.0227 -3.5691 -3.5676 -1.0612 -1.0593 1.8373 1.8405 2.3949 2.3994 7.4454 7.4499 9.8043 9.8060 16.7809 16.7833 19.7167 19.7215 22.6480 22.6574 24.7754 24.7789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560 1.0059 ( 610 PWs) bands (ev): -7.9769 -7.9767 -2.9930 -2.9915 -1.3819 -1.3806 1.8214 1.8248 2.1511 2.1557 7.1446 7.1493 9.6638 9.6652 16.5668 16.5691 19.5533 19.5577 22.7045 22.7139 25.2014 25.2054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560 1.1477 ( 612 PWs) bands (ev): -8.0457 -8.0454 -3.7593 -3.7579 -0.9819 -0.9799 1.8745 1.8777 2.4796 2.4841 7.5703 7.5748 9.8686 9.8704 16.8692 16.8715 19.7851 19.7900 22.6232 22.6325 24.6009 24.6041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560 1.2896 ( 612 PWs) bands (ev): -8.2916 -8.2913 -4.8267 -4.8257 -0.7092 -0.7074 2.3760 2.3797 3.0548 3.0595 8.4734 8.4770 10.4660 10.4680 17.4901 17.4926 20.2504 20.2566 22.3123 22.3192 23.3593 23.3632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560 1.4314 ( 613 PWs) bands (ev): -8.7797 -8.7795 -5.7195 -5.7190 -0.4108 -0.4094 3.1542 3.1584 3.7582 3.7631 9.4624 9.4649 11.4487 11.4501 18.0721 18.0747 20.5271 20.5304 20.8468 20.8503 22.9453 22.9505 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560 1.5733 ( 607 PWs) bands (ev): -9.4087 -9.4086 -6.4004 -6.4002 0.2619 0.2631 3.9464 3.9508 4.4530 4.4577 10.4159 10.4179 12.5128 12.5134 18.0111 18.0132 19.1788 19.1824 20.8806 20.8858 22.6731 22.6764 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560-0.2708 ( 610 PWs) bands (ev): -9.9811 -9.9811 -6.9037 -6.9036 1.3378 1.3390 4.6045 4.6089 4.8724 4.8767 11.3722 11.3739 13.2484 13.2486 16.7024 16.7026 18.9686 18.9708 21.2046 21.2067 21.9606 21.9624 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560-0.1290 ( 609 PWs) bands (ev): -10.3570 -10.3570 -7.2161 -7.2161 2.6540 2.6554 4.6532 4.6551 5.0390 5.0421 12.3014 12.3029 13.4035 13.4038 15.8889 15.8891 18.6727 18.6742 21.3511 21.3530 21.4326 21.4340 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560 0.0129 ( 604 PWs) bands (ev): -10.4711 -10.4710 -7.3099 -7.3098 3.6711 3.6733 3.9801 3.9826 5.1650 5.1682 12.9304 12.9365 13.0888 13.0944 15.7475 15.7478 18.4045 18.4060 21.2928 21.2943 21.4458 21.4489 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560 0.1547 ( 611 PWs) bands (ev): -10.3070 -10.3070 -7.1749 -7.1748 2.4084 2.4097 4.7464 4.7479 4.9852 4.9880 12.1392 12.1407 13.4235 13.4236 15.9741 15.9743 18.7524 18.7539 21.3998 21.4023 21.4199 21.4230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560 0.2966 ( 609 PWs) bands (ev): -9.8887 -9.8887 -6.8255 -6.8254 1.1177 1.1189 4.5005 4.5049 4.8328 4.8371 11.1981 11.1999 13.1531 13.1533 16.9349 16.9352 18.9853 18.9876 21.1461 21.1487 22.1114 22.1134 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560 0.4385 ( 604 PWs) bands (ev): -9.2931 -9.2929 -6.2902 -6.2899 0.1071 0.1083 3.8087 3.8131 4.3374 4.3422 10.2431 10.2452 12.3334 12.3342 18.1429 18.1454 19.3491 19.3530 20.8289 20.8346 22.7560 22.7597 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.0560 0.5803 ( 612 PWs) bands (ev): -8.6750 -8.6747 -5.5743 -5.5736 -0.4873 -0.4859 3.0062 3.0104 3.6254 3.6303 9.2860 9.2887 11.2513 11.2528 17.9861 17.9887 20.5251 20.5305 21.1509 21.1529 22.9649 22.9703 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604 0.8124 ( 618 PWs) bands (ev): -7.7064 -7.7060 -4.0506 -4.0491 -1.0018 -0.9994 1.4398 1.4417 2.7867 2.7901 7.3322 7.3354 10.3310 10.3334 16.7230 16.7249 19.4241 19.4276 21.7764 21.7829 25.2498 25.2524 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604 0.9543 ( 607 PWs) bands (ev): -7.5671 -7.5668 -2.8160 -2.8143 -1.9356 -1.9338 1.7149 1.7171 2.1624 2.1658 6.6437 6.6469 10.1416 10.1431 16.3438 16.3458 19.0264 19.0294 21.7695 21.7755 25.9544 25.9580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604 1.0961 ( 614 PWs) bands (ev): -7.6066 -7.6063 -3.3470 -3.3453 -1.4966 -1.4943 1.5557 1.5578 2.4169 2.4202 6.8562 6.8594 10.1958 10.1977 16.4631 16.4651 19.1472 19.1503 21.7729 21.7791 25.7354 25.7386 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604 1.2380 ( 613 PWs) bands (ev): -7.8390 -7.8386 -4.6325 -4.6313 -0.6565 -0.6541 1.4610 1.4629 3.1183 3.1217 7.8690 7.8720 10.5077 10.5104 17.0038 17.0056 19.7349 19.7387 21.7740 21.7807 24.6391 24.6413 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604 1.3798 ( 611 PWs) bands (ev): -8.2990 -8.2987 -5.7984 -5.7976 -0.0294 -0.0277 1.9277 1.9297 3.8715 3.8750 9.2755 9.2780 11.1229 11.1259 17.6813 17.6832 20.3808 20.3855 21.6872 21.6931 22.7938 22.7960 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604 1.5217 ( 604 PWs) bands (ev): -8.9253 -8.9251 -6.7337 -6.7333 0.7122 0.7136 2.7718 2.7739 4.5835 4.5872 10.6715 10.6733 12.0350 12.0373 18.2020 18.2043 20.0826 20.0863 20.7017 20.7078 21.9744 21.9780 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604 1.6635 ( 606 PWs) bands (ev): -9.5483 -9.5482 -7.4275 -7.4273 1.7334 1.7346 3.6986 3.7007 5.1602 5.1638 11.8818 11.8837 13.0328 13.0340 17.4774 17.4787 18.8484 18.8518 20.7993 20.8030 21.4913 21.4938 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604-0.1805 ( 604 PWs) bands (ev): -10.0110 -10.0109 -7.8813 -7.8812 2.9279 2.9292 4.3788 4.3800 5.5107 5.5135 12.9046 12.9065 13.7468 13.7474 15.8112 15.8116 18.3960 18.3973 20.9887 20.9922 21.0815 21.0831 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604-0.0387 ( 602 PWs) bands (ev): -10.2262 -10.2262 -8.0831 -8.0831 3.9952 3.9964 4.3679 4.3686 5.6423 5.6443 13.6513 13.6529 13.8806 13.8815 14.9467 14.9468 17.8943 17.8947 21.0594 21.0621 21.1617 21.1632 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604 0.1032 ( 603 PWs) bands (ev): -10.1621 -10.1621 -8.0235 -8.0235 3.5534 3.5547 4.4827 4.4829 5.6039 5.6061 13.3559 13.3576 13.9086 13.9087 15.2068 15.2070 18.0710 18.0715 21.0055 21.0080 21.1376 21.1379 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604 0.2450 ( 607 PWs) bands (ev): -9.8277 -9.8276 -7.7054 -7.7053 2.3782 2.3794 4.1271 4.1289 5.3829 5.3862 12.4658 12.4678 13.4782 13.4791 16.5105 16.5110 18.6452 18.6474 20.9134 20.9160 21.1983 21.2003 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604 0.3869 ( 604 PWs) bands (ev): -9.2771 -9.2770 -7.1416 -7.1413 1.2365 1.2378 3.2853 3.2875 4.9213 4.9250 11.3547 11.3565 12.5925 12.5942 18.1163 18.1189 19.1466 19.1511 20.7305 20.7353 21.7463 21.7493 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604 0.5287 ( 607 PWs) bands (ev): -8.6297 -8.6294 -6.3390 -6.3385 0.3426 0.3441 2.3610 2.3631 4.2707 4.2744 10.0567 10.0587 11.5904 11.5932 18.0101 18.0121 20.5245 20.5279 21.1259 21.1291 22.1430 22.1466 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1604 0.6706 ( 611 PWs) bands (ev): -8.0622 -8.0618 -5.2936 -5.2927 -0.3068 -0.3048 1.6501 1.6521 3.5288 3.5323 8.6162 8.6190 10.8034 10.8064 17.3742 17.3760 20.1251 20.1295 21.7583 21.7650 23.6734 23.6756 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 0.9027 ( 616 PWs) bands (ev): -7.4244 -7.4242 -3.2870 -3.2851 -1.6745 -1.6720 1.4656 1.4667 2.4394 2.4416 6.5391 6.5408 10.5218 10.5232 16.6009 16.6023 18.5258 18.5272 21.2649 21.2674 26.2297 26.2310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 1.0445 ( 610 PWs) bands (ev): -7.4000 -7.3999 -2.9196 -2.9176 -1.9955 -1.9932 1.6100 1.6111 2.2489 2.2510 6.4009 6.4026 10.4934 10.4944 16.5454 16.5468 18.4307 18.4322 21.2569 21.2593 26.3523 26.3538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 1.1864 ( 615 PWs) bands (ev): -7.5575 -7.5571 -4.2951 -4.2936 -0.8743 -0.8717 1.1478 1.1484 3.0164 3.0190 7.2269 7.2288 10.6791 10.6815 16.8680 16.8693 19.0093 19.0105 21.2954 21.2985 25.5748 25.5756 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 1.3283 ( 605 PWs) bands (ev): -7.9077 -7.9073 -5.6478 -5.6469 0.1676 0.1699 1.0458 1.0460 3.8409 3.8440 8.6937 8.6957 11.1036 11.1070 17.4116 17.4129 19.9786 19.9798 21.2962 21.3001 23.8367 23.8384 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 1.4701 ( 608 PWs) bands (ev): -8.4210 -8.4207 -6.8252 -6.8246 1.2382 1.2403 1.4260 1.4271 4.6188 4.6222 10.3920 10.3938 11.7628 11.7667 18.0117 18.0133 20.5709 20.5728 21.0655 21.0690 21.6624 21.6647 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 1.6120 ( 607 PWs) bands (ev): -8.9947 -8.9945 -7.7356 -7.7354 2.1977 2.1990 2.3913 2.3936 5.2789 5.2824 12.0058 12.0074 12.5863 12.5902 18.3400 18.3421 18.8665 18.8698 20.6270 20.6298 21.2198 21.2216 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 1.7538 ( 604 PWs) bands (ev): -9.4880 -9.4879 -8.3520 -8.3519 3.2292 3.2302 3.4490 3.4506 5.7380 5.7412 13.3070 13.3096 13.4217 13.4254 16.4655 16.4665 18.3298 18.3310 20.6064 20.6093 20.9690 20.9699 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649-0.0903 ( 606 PWs) bands (ev): -9.7835 -9.7835 -8.6780 -8.6780 4.1175 4.1186 4.1790 4.1800 5.9269 5.9288 14.0501 14.0530 14.1039 14.1060 14.9340 14.9341 17.7415 17.7417 20.7991 20.8027 20.8847 20.8857 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 0.0516 ( 606 PWs) bands (ev): -9.8204 -9.8204 -8.7171 -8.7171 4.2555 4.2565 4.2779 4.2788 5.9387 5.9398 14.1677 14.1698 14.2070 14.2084 14.6964 14.6966 17.6387 17.6388 20.8516 20.8541 20.8840 20.8848 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 0.1934 ( 600 PWs) bands (ev): -9.5919 -9.5918 -8.4695 -8.4694 3.5075 3.5086 3.6947 3.6961 5.8171 5.8200 13.5796 13.5851 13.6232 13.6290 15.9583 15.9592 18.1697 18.1705 20.6470 20.6505 20.9273 20.9282 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 0.3353 ( 608 PWs) bands (ev): -9.1431 -9.1429 -7.9329 -7.9327 2.4683 2.4694 2.6942 2.6962 5.4279 5.4314 12.4001 12.4017 12.8214 12.8252 17.9903 17.9921 18.5933 18.5962 20.5971 20.5994 21.1454 21.1469 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 0.4771 ( 602 PWs) bands (ev): -8.5772 -8.5769 -7.1021 -7.1016 1.5257 1.5282 1.6238 1.6263 4.8138 4.8173 10.8514 10.8531 11.9762 11.9802 18.1574 18.1589 20.4310 20.4323 20.7742 20.7784 21.4205 21.4232 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 0.6190 ( 610 PWs) bands (ev): -8.0346 -8.0342 -5.9915 -5.9906 0.4547 0.4570 1.1004 1.1005 4.0606 4.0638 9.1492 9.1512 11.2616 11.2652 17.5767 17.5781 20.2176 20.2191 21.2777 21.2818 23.2325 23.2343 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.2649 0.7608 ( 611 PWs) bands (ev): -7.6338 -7.6335 -4.6735 -4.6722 -0.5882 -0.5856 1.0757 1.0762 3.2416 3.2444 7.5816 7.5835 10.7704 10.7731 17.0017 17.0029 19.2587 19.2598 21.3040 21.3073 25.1946 25.1956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7799-0.0000 ( 607 PWs) bands (ev): -7.5740 -7.5738 -2.3747 -2.3745 -2.3473 -2.3460 1.7580 1.7603 2.1693 2.1695 6.3546 6.3557 10.3957 10.3965 17.0238 17.0251 18.0490 18.0510 21.3578 21.3613 26.2254 26.2268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7799 0.1419 ( 617 PWs) bands (ev): -7.6352 -7.6350 -3.7072 -3.7056 -1.2827 -1.2801 1.4262 1.4280 2.7580 2.7601 6.8262 6.8276 10.5283 10.5300 17.1361 17.1374 18.4618 18.4642 21.3756 21.3795 25.7092 25.7108 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7799 0.2837 ( 610 PWs) bands (ev): -7.8356 -7.8353 -5.1321 -5.1310 -0.5458 -0.5435 1.4670 1.4688 3.5742 3.5770 8.0420 8.0436 10.9448 10.9475 17.4735 17.4748 19.4554 19.4587 21.3729 21.3779 24.2079 24.2100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7799 0.4256 ( 613 PWs) bands (ev): -8.1827 -8.1824 -6.4607 -6.4600 0.0615 0.0631 2.0708 2.0727 4.3737 4.3770 9.5828 9.5842 11.6635 11.6665 17.9643 17.9662 20.3235 20.3276 21.2450 21.2512 22.0955 22.0983 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7799 0.5674 ( 609 PWs) bands (ev): -8.6152 -8.6149 -7.5760 -7.5756 0.8777 0.8789 2.9644 2.9663 5.0843 5.0879 11.0907 11.0921 12.6262 12.6285 18.3480 18.3518 19.4193 19.4247 20.8654 20.8718 21.1108 21.1142 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7799 0.7093 ( 605 PWs) bands (ev): -9.0229 -9.0227 -8.4101 -8.4098 1.9696 1.9708 3.8571 3.8587 5.6266 5.6299 12.4073 12.4093 13.6025 13.6039 17.0281 17.0294 18.7230 18.7251 20.5661 20.5670 20.9492 20.9502 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7799 0.8511 ( 604 PWs) bands (ev): -9.3060 -9.3059 -8.9251 -8.9249 3.1707 3.1719 4.3810 4.3815 5.9317 5.9341 13.4721 13.4742 14.2479 14.2483 15.4952 15.4959 18.1084 18.1090 20.6506 20.6535 20.7667 20.7689 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7799-0.9930 ( 604 PWs) bands (ev): -9.4060 -9.4059 -9.0996 -9.0996 4.0981 4.0986 4.1578 4.1583 6.0232 6.0250 14.1484 14.1505 14.2092 14.2094 14.9517 14.9519 17.6996 17.6997 20.6895 20.6927 20.7929 20.7932 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754 0.0903 ( 612 PWs) bands (ev): -8.0562 -8.0559 -3.0047 -3.0032 -1.4826 -1.4803 1.8159 1.8193 2.4850 2.4875 6.8253 6.8278 10.0353 10.0368 17.4438 17.4462 18.5958 18.5994 21.9880 21.9948 25.2642 25.2662 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754 0.2321 ( 610 PWs) bands (ev): -8.1137 -8.1134 -4.3641 -4.3631 -1.0448 -1.0426 2.0868 2.0898 3.1458 3.1489 7.6229 7.6252 10.4934 10.4954 17.7387 17.7408 19.2837 19.2882 21.9201 21.9272 24.0107 24.0132 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754 0.3740 ( 616 PWs) bands (ev): -8.2902 -8.2899 -5.7015 -5.7008 -0.8155 -0.8139 2.8076 2.8107 3.8913 3.8950 8.7732 8.7752 11.3626 11.3644 18.1450 18.1475 20.0926 20.0974 21.5408 21.5459 22.3714 22.3767 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754 0.5158 ( 611 PWs) bands (ev): -8.6209 -8.6207 -6.8382 -6.8378 -0.3061 -0.3049 3.6651 3.6682 4.6100 4.6142 9.9910 9.9930 12.4881 12.4893 18.3918 18.3959 19.6481 19.6547 20.7316 20.7390 21.8096 21.8146 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754 0.6577 ( 610 PWs) bands (ev): -9.0390 -9.0389 -7.6902 -7.6900 0.6243 0.6254 4.4161 4.4188 5.1915 5.1955 11.2036 11.2060 13.5113 13.5119 17.2989 17.3002 19.1589 19.1624 20.6598 20.6644 21.3893 21.3915 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754 0.7995 ( 603 PWs) bands (ev): -9.4085 -9.4084 -8.2358 -8.2357 1.8793 1.8805 4.6734 4.6736 5.5880 5.5907 12.3746 12.3770 14.0703 14.0703 16.1285 16.1290 18.8028 18.8039 20.7282 20.7284 20.9461 20.9477 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754 0.9414 ( 603 PWs) bands (ev): -9.6069 -9.6069 -8.4849 -8.4848 3.2258 3.2270 4.0833 4.0845 5.8189 5.8217 13.3850 13.3868 13.9052 13.9062 15.8058 15.8065 18.1855 18.1863 20.6778 20.6812 20.9040 20.9054 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754-0.9027 ( 601 PWs) bands (ev): -9.5745 -9.5744 -8.4457 -8.4457 2.8692 2.8704 4.3211 4.3221 5.7793 5.7820 13.1355 13.1375 14.0248 14.0255 15.8267 15.8274 18.3213 18.3223 20.7057 20.7085 20.8823 20.8842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754-0.7608 ( 607 PWs) bands (ev): -9.3205 -9.3204 -8.1170 -8.1169 1.5156 1.5167 4.6824 4.6834 5.4938 5.4967 12.0644 12.0669 13.9814 13.9816 16.3677 16.3681 18.9537 18.9549 20.6971 20.6982 21.0501 21.0506 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754-0.6190 ( 609 PWs) bands (ev): -8.9236 -8.9235 -7.4882 -7.4880 0.3316 0.3327 4.2389 4.2419 5.0526 5.0567 10.8743 10.8767 13.2648 13.2656 17.7064 17.7086 19.1910 19.1959 20.6701 20.6758 21.5163 21.5194 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754-0.4771 ( 612 PWs) bands (ev): -8.5174 -8.5171 -6.5541 -6.5537 -0.4867 -0.4854 3.4311 3.4342 4.4227 4.4268 9.6589 9.6608 12.1743 12.1756 18.3868 18.3903 19.9903 19.9946 20.8012 20.8074 21.9079 21.9136 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754-0.3353 ( 613 PWs) bands (ev): -8.2266 -8.2264 -5.3514 -5.3506 -0.8911 -0.8893 2.5865 2.5895 3.6865 3.6901 8.4452 8.4472 11.0889 11.0908 18.0313 18.0336 19.9114 19.9165 21.7302 21.7367 22.7620 22.7660 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754-0.1934 ( 611 PWs) bands (ev): -8.0893 -8.0891 -3.9843 -3.9831 -1.1193 -1.1169 1.9546 1.9577 2.9508 2.9537 7.3539 7.3563 10.3267 10.3286 17.6416 17.6438 19.0529 19.0571 21.9500 21.9570 24.4350 24.4373 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.6754-0.0516 ( 611 PWs) bands (ev): -8.0515 -8.0513 -2.6851 -2.6836 -1.6790 -1.6769 1.8340 1.8377 2.3541 2.3562 6.7183 6.7208 9.9816 9.9831 17.4015 17.4039 18.5053 18.5087 21.9931 21.9998 25.4310 25.4331 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709 0.1805 ( 608 PWs) bands (ev): -8.6148 -8.6146 -3.6768 -3.6758 -1.0300 -1.0281 2.4078 2.4124 2.8547 2.8587 7.5935 7.5969 9.9972 9.9986 18.0697 18.0724 19.5110 19.5155 22.6138 22.6216 23.6403 23.6452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709 0.3224 ( 610 PWs) bands (ev): -8.6102 -8.6100 -4.8914 -4.8907 -1.1446 -1.1430 3.0193 3.0229 3.6624 3.6652 8.2668 8.2695 10.9696 10.9708 18.4083 18.4114 20.1151 20.1203 21.4078 21.4110 23.0061 23.0137 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709 0.4642 ( 612 PWs) bands (ev): -8.7547 -8.7546 -5.9659 -5.9655 -1.0442 -1.0429 3.6831 3.6863 4.5182 4.5201 9.1113 9.1136 12.1706 12.1713 18.5288 18.5329 19.6748 19.6812 20.5985 20.6066 22.7413 22.7466 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709 0.6061 ( 608 PWs) bands (ev): -9.0829 -9.0829 -6.7722 -6.7720 -0.4568 -0.4557 4.3513 4.3543 5.0728 5.0743 10.0789 10.0813 13.1756 13.1759 17.5816 17.5827 19.1760 19.1787 20.7358 20.7398 22.3614 22.3648 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709 0.7479 ( 611 PWs) bands (ev): -9.4633 -9.4632 -7.3108 -7.3107 0.6207 0.6218 4.9012 4.9051 5.0084 5.0116 11.1305 11.1328 13.6281 13.6282 16.7565 16.7566 19.0784 19.0793 20.8498 20.8505 21.8125 21.8140 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709 0.8898 ( 609 PWs) bands (ev): -9.7269 -9.7268 -7.6058 -7.6057 2.0243 2.0256 4.1063 4.1083 5.2977 5.3011 12.1861 12.1880 13.3940 13.3949 16.7956 16.7962 18.7605 18.7630 20.8781 20.8810 21.3116 21.3137 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709 1.0317 ( 602 PWs) bands (ev): -9.7796 -9.7795 -7.6606 -7.6605 2.6936 2.6949 3.5267 3.5285 5.3693 5.3726 12.6251 12.6273 13.1010 13.1028 16.9345 16.9353 18.5926 18.5953 20.8541 20.8572 21.2200 21.2222 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709-0.8124 ( 609 PWs) bands (ev): -9.6053 -9.6052 -7.4745 -7.4744 1.2322 1.2333 4.6673 4.6700 5.1331 5.1369 11.6172 11.6194 13.6031 13.6034 16.6820 16.6823 18.9685 18.9703 20.8813 20.8834 21.5509 21.5518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709-0.6706 ( 611 PWs) bands (ev): -9.2607 -9.2606 -7.0483 -7.0482 -0.0206 -0.0195 4.6303 4.6331 5.1316 5.1327 10.5499 10.5523 13.4646 13.4647 17.1041 17.1045 19.1447 19.1458 20.7899 20.7916 22.1271 22.1299 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709-0.5287 ( 607 PWs) bands (ev): -8.8859 -8.8858 -6.3674 -6.3671 -0.8430 -0.8418 3.9913 3.9944 4.8281 4.8298 9.5376 9.5400 12.6768 12.6773 18.2280 18.2311 19.2860 19.2913 20.6686 20.6751 22.5933 22.5976 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709-0.3869 ( 611 PWs) bands (ev): -8.6514 -8.6512 -5.4090 -5.4084 -1.1488 -1.1474 3.3162 3.3196 4.0677 4.0700 8.6335 8.6360 11.5119 11.5129 18.5236 18.5271 20.2663 20.2679 20.7019 20.7051 22.8816 22.8883 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709-0.2450 ( 612 PWs) bands (ev): -8.6020 -8.6018 -4.2299 -4.2290 -1.0800 -1.0782 2.6764 2.6806 3.1903 3.1938 7.8721 7.8751 10.3870 10.3884 18.2273 18.2301 19.7836 19.7887 22.2090 22.2147 23.2573 23.2644 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709-0.1032 ( 607 PWs) bands (ev): -8.6358 -8.6356 -3.0831 -3.0820 -1.0377 -1.0359 2.1452 2.1500 2.5670 2.5709 7.3451 7.3489 9.6751 9.6765 17.9078 17.9105 19.2673 19.2712 22.8198 22.8287 24.1588 24.1616 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5709 0.0387 ( 602 PWs) bands (ev): -8.6474 -8.6472 -2.7552 -2.7541 -1.0920 -1.0905 2.0247 2.0296 2.4399 2.4436 7.2332 7.2371 9.5395 9.5408 17.8280 17.8306 19.1622 19.1658 22.8833 22.8925 24.4288 24.4310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665 0.2708 ( 608 PWs) bands (ev): -9.0673 -9.0671 -4.3265 -4.3259 -0.8847 -0.8835 2.4119 2.4142 4.0878 4.0894 8.1872 8.1903 10.7288 10.7299 18.6508 18.6543 20.3760 20.3828 20.9589 20.9625 23.6855 23.6937 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665 0.4127 ( 607 PWs) bands (ev): -8.9871 -8.9869 -5.2460 -5.2456 -1.1672 -1.1660 2.8021 2.8043 5.0579 5.0588 8.6418 8.6440 11.8722 11.8731 18.6707 18.6746 19.4394 19.4430 20.7267 20.7327 23.5374 23.5424 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665 0.5545 ( 612 PWs) bands (ev): -9.1048 -9.1047 -5.9348 -5.9346 -1.0433 -1.0421 3.3679 3.3701 5.5609 5.5612 9.2819 9.2838 12.7597 12.7600 17.9072 17.9084 18.9555 18.9570 20.8949 20.8975 23.2883 23.2908 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665 0.6964 ( 610 PWs) bands (ev): -9.3957 -9.3956 -6.3756 -6.3755 -0.3483 -0.3472 3.9615 3.9638 5.3119 5.3123 10.0547 10.0566 13.0611 13.0613 17.3994 17.4001 18.9693 18.9706 20.9665 20.9684 22.9067 22.9087 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665 0.8382 ( 608 PWs) bands (ev): -9.6746 -9.6745 -6.6400 -6.6398 0.8622 0.8634 4.0904 4.0947 4.6057 4.6106 10.9263 10.9282 12.7387 12.7392 17.6560 17.6572 19.0434 19.0466 20.9990 21.0033 22.3418 22.3450 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665 0.9801 ( 610 PWs) bands (ev): -9.7964 -9.7963 -6.7412 -6.7410 2.3239 2.3259 2.7429 2.7457 4.7118 4.7153 11.7953 11.8015 12.0344 12.0394 18.0489 18.0510 19.0724 19.0775 21.0095 21.0138 21.8736 21.8791 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665 1.1219 ( 609 PWs) bands (ev): -9.7111 -9.7110 -6.6709 -6.6707 1.1223 1.1235 3.8900 3.8935 4.6154 4.6198 11.0911 11.0930 12.6283 12.6289 17.7483 17.7497 19.0543 19.0579 21.0024 21.0068 22.2253 22.2289 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665-0.7222 ( 609 PWs) bands (ev): -9.4528 -9.4528 -6.4356 -6.4355 -0.1618 -0.1606 4.0550 4.0574 5.1807 5.1814 10.2070 10.2089 13.0447 13.0449 17.3967 17.3975 18.9813 18.9830 20.9744 20.9769 22.8193 22.8214 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665-0.5803 ( 611 PWs) bands (ev): -9.1493 -9.1493 -6.0310 -6.0308 -0.9607 -0.9596 3.4792 3.4815 5.5772 5.5774 9.4136 9.4155 12.8639 12.8641 17.7568 17.7578 18.9485 18.9495 20.9129 20.9146 23.2294 23.2316 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665-0.4385 ( 609 PWs) bands (ev): -8.9911 -8.9910 -5.3920 -5.3916 -1.1822 -1.1810 2.8952 2.8974 5.1937 5.1945 8.7463 8.7484 12.0648 12.0656 18.6078 18.6116 19.2408 19.2447 20.7688 20.7744 23.5017 23.5061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665-0.2966 ( 607 PWs) bands (ev): -9.0439 -9.0438 -4.5020 -4.5014 -0.9544 -0.9532 2.4658 2.4681 4.2835 4.2850 8.2531 8.2559 10.9363 10.9374 18.6756 18.6792 20.4467 20.4545 20.6701 20.6742 23.6617 23.6693 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665-0.1547 ( 605 PWs) bands (ev): -9.1772 -9.1771 -3.5905 -3.5897 -0.5333 -0.5322 2.2578 2.2605 3.2096 3.2119 7.9935 7.9976 9.9044 9.9055 18.4969 18.4999 20.0509 20.0558 22.1978 22.2014 23.7644 23.7742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665-0.0129 ( 606 PWs) bands (ev): -9.2473 -9.2471 -3.1301 -3.1291 -0.2333 -0.2320 2.1802 2.1851 2.5978 2.6023 7.9405 7.9457 9.4089 9.4102 18.3676 18.3704 19.8591 19.8630 23.1351 23.1362 23.6615 23.6729 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.4665 0.1290 ( 604 PWs) bands (ev): -9.1976 -9.1974 -3.4577 -3.4569 -0.4565 -0.4554 2.2384 2.2414 3.0380 3.0406 7.9724 7.9767 9.7613 9.7624 18.4620 18.4649 19.9936 19.9983 22.4364 22.4400 23.7650 23.7750 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620 0.3611 ( 603 PWs) bands (ev): -9.3249 -9.3248 -4.8471 -4.8468 -0.7886 -0.7880 2.1391 2.1404 5.4008 5.4017 8.6112 8.6129 11.7695 11.7704 18.6989 18.7016 19.0749 19.0766 21.0267 21.0310 24.0051 24.0097 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620 0.5029 ( 609 PWs) bands (ev): -9.1799 -9.1799 -5.3766 -5.3765 -1.0200 -1.0191 2.3982 2.3997 5.8907 5.8910 8.8985 8.8996 12.4308 12.4310 18.1905 18.1914 18.6800 18.6805 21.0680 21.0691 23.8692 23.8706 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620 0.6448 ( 608 PWs) bands (ev): -9.2661 -9.2660 -5.6323 -5.6321 -0.8100 -0.8089 2.8982 2.8999 5.5334 5.5338 9.3212 9.3226 12.5068 12.5072 18.0022 18.0038 18.8013 18.8033 21.0215 21.0245 23.6875 23.6894 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620 0.7866 ( 606 PWs) bands (ev): -9.4807 -9.4806 -5.7292 -5.7289 -0.0152 -0.0140 3.3805 3.3828 4.4570 4.4587 9.8652 9.8673 12.0464 12.0469 18.1793 18.1815 19.3361 19.3391 21.0069 21.0121 23.3586 23.3628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620 0.9285 ( 608 PWs) bands (ev): -9.6338 -9.6337 -5.7762 -5.7759 1.2698 1.2713 2.7299 2.7329 3.9241 3.9282 10.5385 10.5424 11.3147 11.3161 18.2865 18.2885 20.1140 20.1180 21.1023 21.1064 22.7981 22.8052 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620 1.0703 ( 610 PWs) bands (ev): -9.6259 -9.6257 -5.7738 -5.7734 1.1415 1.1429 2.8581 2.8613 3.9188 3.9231 10.4743 10.4777 11.3836 11.3846 18.2819 18.2840 20.0595 20.0634 21.0902 21.0944 22.8463 22.8531 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620 1.2122 ( 604 PWs) bands (ev): -9.4613 -9.4612 -5.7230 -5.7227 -0.1112 -0.1099 3.3501 3.3522 4.5696 4.5711 9.8102 9.8122 12.1040 12.1045 18.1630 18.1652 19.2675 19.2706 21.0040 21.0092 23.3996 23.4036 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620-0.6319 ( 609 PWs) bands (ev): -9.2499 -9.2498 -5.6184 -5.6182 -0.8525 -0.8514 2.8483 2.8500 5.6011 5.6015 9.2780 9.2793 12.5252 12.5256 17.9958 17.9973 18.7764 18.7783 21.0264 21.0291 23.7073 23.7090 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620-0.4900 ( 606 PWs) bands (ev): -9.1840 -9.1840 -5.3396 -5.3395 -1.0141 -1.0132 2.3621 2.3636 5.8795 5.8798 8.8661 8.8672 12.3927 12.3930 18.2393 18.2402 18.6826 18.6833 21.0690 21.0706 23.8838 23.8854 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620-0.3482 ( 605 PWs) bands (ev): -9.3461 -9.3460 -4.7891 -4.7888 -0.7519 -0.7514 2.1318 2.1331 5.3210 5.3220 8.5940 8.5959 11.6883 11.6892 18.7125 18.7152 19.1721 19.1736 21.0171 21.0215 24.0128 24.0177 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620-0.2063 ( 610 PWs) bands (ev): -9.5921 -9.5920 -4.1701 -4.1696 -0.1938 -0.1935 2.2029 2.2043 4.2008 4.2023 8.5425 8.5457 10.7072 10.7083 18.7911 18.7943 20.3509 20.3553 20.9355 20.9372 24.0041 24.0124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620-0.0645 ( 614 PWs) bands (ev): -9.7519 -9.7518 -3.8032 -3.8025 0.5411 0.5419 2.3607 2.3634 3.0576 3.0609 8.7410 8.7465 9.8680 9.8700 18.7836 18.7865 20.5956 20.6017 21.6883 21.6905 23.7760 23.7874 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620 0.0774 ( 614 PWs) bands (ev): -9.7437 -9.7436 -3.8211 -3.8204 0.4837 0.4844 2.3508 2.3532 3.1364 3.1393 8.7189 8.7240 9.9231 9.9249 18.7854 18.7883 20.5994 20.6057 21.6177 21.6200 23.8014 23.8125 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3620 0.2192 ( 611 PWs) bands (ev): -9.5713 -9.5712 -4.2199 -4.2194 -0.2562 -0.2559 2.1882 2.1895 4.3144 4.3159 8.5359 8.5389 10.7974 10.7985 18.7884 18.7916 20.2551 20.2587 20.9278 20.9301 24.0133 24.0212 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 the Fermi energy is 14.4148 ev ! total energy = -53.12886168 Ry Harris-Foulkes estimate = -53.12886167 Ry estimated scf accuracy < 2.7E-09 Ry The total energy is the sum of the following terms: one-electron contribution = 3.99903304 Ry hartree contribution = 8.13519944 Ry xc contribution = -16.25621566 Ry ewald contribution = -49.00687849 Ry smearing contrib. (-TS) = -0.00000000 Ry convergence has been achieved in 9 iterations Writing output data file CN2.save init_run : 5.73s CPU 6.53s WALL ( 1 calls) electrons : 138.89s CPU 145.07s WALL ( 1 calls) Called by init_run: wfcinit : 5.50s CPU 6.02s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 117.86s CPU 122.70s WALL ( 9 calls) sum_band : 20.89s CPU 21.81s WALL ( 9 calls) v_of_rho : 0.04s CPU 0.06s WALL ( 10 calls) v_h : 0.00s CPU 0.00s WALL ( 10 calls) v_xc : 0.04s CPU 0.05s WALL ( 10 calls) newd : 0.04s CPU 0.05s WALL ( 10 calls) mix_rho : 0.03s CPU 0.05s WALL ( 9 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.24s WALL ( 15542 calls) cegterg : 113.66s CPU 120.33s WALL ( 7362 calls) Called by sum_band: sum_band:bec : 0.69s CPU 0.79s WALL ( 7362 calls) addusdens : 0.01s CPU 0.02s WALL ( 9 calls) Called by *egterg: h_psi : 86.51s CPU 98.20s WALL ( 22728 calls) s_psi : 2.38s CPU 2.57s WALL ( 22728 calls) g_psi : 0.06s CPU 0.08s WALL ( 14548 calls) cdiaghg : 17.17s CPU 17.58s WALL ( 21910 calls) cegterg:over : 2.50s CPU 2.58s WALL ( 14548 calls) cegterg:upda : 0.37s CPU 0.43s WALL ( 14548 calls) cegterg:last : 0.24s CPU 0.25s WALL ( 7362 calls) Called by h_psi: h_psi:vloc : 82.33s CPU 94.01s WALL ( 22728 calls) h_psi:vnl : 4.17s CPU 4.12s WALL ( 22728 calls) add_vuspsi : 1.40s CPU 1.60s WALL ( 22728 calls) General routines calbec : 3.76s CPU 3.37s WALL ( 30090 calls) fft : 0.07s CPU 0.11s WALL ( 294 calls) ffts : 0.02s CPU 0.01s WALL ( 76 calls) fftw : 97.69s CPU 108.57s WALL ( 1935060 calls) interpolate : 0.03s CPU 0.03s WALL ( 76 calls) Parallel routines fft_scatter : 76.52s CPU 80.70s WALL ( 1935430 calls) PWSCF : 2m43.69s CPU 2m56.79s WALL This run was terminated on: 12:26:54 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=