Program PWSCF v.5.1.1 starts on 23Jul2015 at 12:54:19 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 43 25 9 804 343 76 Max 44 26 10 806 364 78 Sum 1403 801 291 25769 11237 2463 bravais-lattice index = 14 lattice parameter (alat) = 7.3702 a.u. unit-cell volume = 257.8839 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 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)= 7.370208 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.575415 celldm(5)= -0.575415 celldm(6)= 0.150831 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.150831 0.988560 0.000000 ) a(3) = ( -0.575415 -0.494280 0.651602 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.152576 0.767340 ) b(2) = ( 0.000000 1.011573 0.767340 ) b(3) = ( 0.000000 0.000000 1.534680 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) C 4.00 12.01070 C( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 564 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015625 k( 2) = ( 0.0000000 0.0000000 0.1534680), wk = 0.0031250 k( 3) = ( 0.0000000 0.0000000 0.3069360), wk = 0.0031250 k( 4) = ( 0.0000000 0.0000000 0.4604040), wk = 0.0031250 k( 5) = ( 0.0000000 0.0000000 0.6138720), wk = 0.0031250 k( 6) = ( 0.0000000 0.0000000 -0.7673400), wk = 0.0015625 k( 7) = ( 0.0000000 0.1264466 0.0959175), wk = 0.0015625 k( 8) = ( 0.0000000 0.1264466 0.2493855), wk = 0.0015625 k( 9) = ( 0.0000000 0.1264466 0.4028535), wk = 0.0015625 k( 10) = ( 0.0000000 0.1264466 0.5563215), wk = 0.0015625 k( 11) = ( 0.0000000 0.1264466 0.7097895), wk = 0.0015625 k( 12) = ( 0.0000000 0.1264466 -0.6714225), wk = 0.0015625 k( 13) = ( 0.0000000 0.1264466 -0.5179545), wk = 0.0015625 k( 14) = ( 0.0000000 0.1264466 -0.3644865), wk = 0.0015625 k( 15) = ( 0.0000000 0.1264466 -0.2110185), wk = 0.0015625 k( 16) = ( 0.0000000 0.1264466 -0.0575505), wk = 0.0015625 k( 17) = ( 0.0000000 0.2528932 0.1918350), wk = 0.0015625 k( 18) = ( 0.0000000 0.2528932 0.3453030), wk = 0.0015625 k( 19) = ( 0.0000000 0.2528932 0.4987710), wk = 0.0015625 k( 20) = ( 0.0000000 0.2528932 0.6522390), wk = 0.0015625 k( 21) = ( 0.0000000 0.2528932 0.8057070), wk = 0.0015625 k( 22) = ( 0.0000000 0.2528932 -0.5755050), wk = 0.0015625 k( 23) = ( 0.0000000 0.2528932 -0.4220370), wk = 0.0015625 k( 24) = ( 0.0000000 0.2528932 -0.2685690), wk = 0.0015625 k( 25) = ( 0.0000000 0.2528932 -0.1151010), wk = 0.0015625 k( 26) = ( 0.0000000 0.2528932 0.0383670), wk = 0.0015625 k( 27) = ( 0.0000000 0.3793398 0.2877525), wk = 0.0015625 k( 28) = ( 0.0000000 0.3793398 0.4412205), wk = 0.0015625 k( 29) = ( 0.0000000 0.3793398 0.5946885), wk = 0.0015625 k( 30) = ( 0.0000000 0.3793398 0.7481565), wk = 0.0015625 k( 31) = ( 0.0000000 0.3793398 0.9016245), wk = 0.0015625 k( 32) = ( 0.0000000 0.3793398 -0.4795875), wk = 0.0015625 k( 33) = ( 0.0000000 0.3793398 -0.3261195), wk = 0.0015625 k( 34) = ( 0.0000000 0.3793398 -0.1726515), wk = 0.0015625 k( 35) = ( 0.0000000 0.3793398 -0.0191835), wk = 0.0015625 k( 36) = ( 0.0000000 0.3793398 0.1342845), wk = 0.0015625 k( 37) = ( 0.0000000 -0.5057864 -0.3836700), wk = 0.0015625 k( 38) = ( 0.0000000 -0.5057864 -0.2302020), wk = 0.0031250 k( 39) = ( 0.0000000 -0.5057864 -0.0767340), wk = 0.0031250 k( 40) = ( 0.1250000 -0.0190720 0.0959175), wk = 0.0015625 k( 41) = ( 0.1250000 -0.0190720 0.2493855), wk = 0.0015625 k( 42) = ( 0.1250000 -0.0190720 0.4028535), wk = 0.0015625 k( 43) = ( 0.1250000 -0.0190720 0.5563215), wk = 0.0015625 k( 44) = ( 0.1250000 -0.0190720 0.7097895), wk = 0.0015625 k( 45) = ( 0.1250000 -0.0190720 -0.6714225), wk = 0.0015625 k( 46) = ( 0.1250000 -0.0190720 -0.5179545), wk = 0.0015625 k( 47) = ( 0.1250000 -0.0190720 -0.3644865), wk = 0.0015625 k( 48) = ( 0.1250000 -0.0190720 -0.2110185), wk = 0.0015625 k( 49) = ( 0.1250000 -0.0190720 -0.0575505), wk = 0.0015625 k( 50) = ( 0.1250000 0.1073746 0.1918350), wk = 0.0015625 k( 51) = ( 0.1250000 0.1073746 0.3453030), wk = 0.0015625 k( 52) = ( 0.1250000 0.1073746 0.4987710), wk = 0.0015625 k( 53) = ( 0.1250000 0.1073746 0.6522390), wk = 0.0015625 k( 54) = ( 0.1250000 0.1073746 0.8057070), wk = 0.0015625 k( 55) = ( 0.1250000 0.1073746 -0.5755050), wk = 0.0015625 k( 56) = ( 0.1250000 0.1073746 -0.4220370), wk = 0.0015625 k( 57) = ( 0.1250000 0.1073746 -0.2685690), wk = 0.0015625 k( 58) = ( 0.1250000 0.1073746 -0.1151010), wk = 0.0015625 k( 59) = ( 0.1250000 0.1073746 0.0383670), wk = 0.0015625 k( 60) = ( 0.1250000 0.2338212 0.2877525), wk = 0.0015625 k( 61) = ( 0.1250000 0.2338212 0.4412205), wk = 0.0015625 k( 62) = ( 0.1250000 0.2338212 0.5946885), wk = 0.0015625 k( 63) = ( 0.1250000 0.2338212 0.7481565), wk = 0.0015625 k( 64) = ( 0.1250000 0.2338212 0.9016245), wk = 0.0015625 k( 65) = ( 0.1250000 0.2338212 -0.4795875), wk = 0.0015625 k( 66) = ( 0.1250000 0.2338212 -0.3261195), wk = 0.0015625 k( 67) = ( 0.1250000 0.2338212 -0.1726515), wk = 0.0015625 k( 68) = ( 0.1250000 0.2338212 -0.0191835), wk = 0.0015625 k( 69) = ( 0.1250000 0.2338212 0.1342845), wk = 0.0015625 k( 70) = ( 0.1250000 0.3602678 0.3836700), wk = 0.0031250 k( 71) = ( 0.1250000 0.3602678 0.5371380), wk = 0.0031250 k( 72) = ( 0.1250000 0.3602678 0.6906060), wk = 0.0031250 k( 73) = ( 0.1250000 0.3602678 -0.2302020), wk = 0.0031250 k( 74) = ( 0.1250000 0.3602678 -0.0767340), wk = 0.0031250 k( 75) = ( 0.1250000 -0.5248584 -0.2877525), wk = 0.0015625 k( 76) = ( 0.1250000 -0.5248584 -0.1342845), wk = 0.0015625 k( 77) = ( 0.1250000 -0.5248584 0.0191835), wk = 0.0015625 k( 78) = ( 0.1250000 -0.5248584 0.1726515), wk = 0.0015625 k( 79) = ( 0.1250000 -0.5248584 0.3261195), wk = 0.0015625 k( 80) = ( 0.1250000 -0.5248584 -1.0550924), wk = 0.0015625 k( 81) = ( 0.1250000 -0.5248584 -0.9016245), wk = 0.0015625 k( 82) = ( 0.1250000 -0.5248584 -0.7481565), wk = 0.0015625 k( 83) = ( 0.1250000 -0.5248584 -0.5946885), wk = 0.0015625 k( 84) = ( 0.1250000 -0.5248584 -0.4412205), wk = 0.0015625 k( 85) = ( 0.1250000 -0.3984118 -0.1918350), wk = 0.0015625 k( 86) = ( 0.1250000 -0.3984118 -0.0383670), wk = 0.0015625 k( 87) = ( 0.1250000 -0.3984118 0.1151010), wk = 0.0015625 k( 88) = ( 0.1250000 -0.3984118 0.2685690), wk = 0.0015625 k( 89) = ( 0.1250000 -0.3984118 0.4220370), wk = 0.0015625 k( 90) = ( 0.1250000 -0.3984118 -0.9591749), wk = 0.0015625 k( 91) = ( 0.1250000 -0.3984118 -0.8057070), wk = 0.0015625 k( 92) = ( 0.1250000 -0.3984118 -0.6522390), wk = 0.0015625 k( 93) = ( 0.1250000 -0.3984118 -0.4987710), wk = 0.0015625 k( 94) = ( 0.1250000 -0.3984118 -0.3453030), wk = 0.0015625 k( 95) = ( 0.1250000 -0.2719652 -0.0959175), wk = 0.0015625 k( 96) = ( 0.1250000 -0.2719652 0.0575505), wk = 0.0015625 k( 97) = ( 0.1250000 -0.2719652 0.2110185), wk = 0.0015625 k( 98) = ( 0.1250000 -0.2719652 0.3644865), wk = 0.0015625 k( 99) = ( 0.1250000 -0.2719652 0.5179545), wk = 0.0015625 k( 100) = ( 0.1250000 -0.2719652 -0.8632575), wk = 0.0015625 k( 101) = ( 0.1250000 -0.2719652 -0.7097895), wk = 0.0015625 k( 102) = ( 0.1250000 -0.2719652 -0.5563215), wk = 0.0015625 k( 103) = ( 0.1250000 -0.2719652 -0.4028535), wk = 0.0015625 k( 104) = ( 0.1250000 -0.2719652 -0.2493855), wk = 0.0015625 k( 105) = ( 0.1250000 -0.1455186 0.0000000), wk = 0.0031250 k( 106) = ( 0.1250000 -0.1455186 0.1534680), wk = 0.0031250 k( 107) = ( 0.1250000 -0.1455186 0.3069360), wk = 0.0031250 k( 108) = ( 0.1250000 -0.1455186 0.4604040), wk = 0.0031250 k( 109) = ( 0.1250000 -0.1455186 0.6138720), wk = 0.0031250 k( 110) = ( 0.1250000 -0.1455186 -0.7673400), wk = 0.0031250 k( 111) = ( 0.2500000 -0.0381440 0.1918350), wk = 0.0015625 k( 112) = ( 0.2500000 -0.0381440 0.3453030), wk = 0.0015625 k( 113) = ( 0.2500000 -0.0381440 0.4987710), wk = 0.0015625 k( 114) = ( 0.2500000 -0.0381440 0.6522390), wk = 0.0015625 k( 115) = ( 0.2500000 -0.0381440 0.8057070), wk = 0.0015625 k( 116) = ( 0.2500000 -0.0381440 -0.5755050), wk = 0.0015625 k( 117) = ( 0.2500000 -0.0381440 -0.4220370), wk = 0.0015625 k( 118) = ( 0.2500000 -0.0381440 -0.2685690), wk = 0.0015625 k( 119) = ( 0.2500000 -0.0381440 -0.1151010), wk = 0.0015625 k( 120) = ( 0.2500000 -0.0381440 0.0383670), wk = 0.0015625 k( 121) = ( 0.2500000 0.0883026 0.2877525), wk = 0.0015625 k( 122) = ( 0.2500000 0.0883026 0.4412205), wk = 0.0015625 k( 123) = ( 0.2500000 0.0883026 0.5946885), wk = 0.0015625 k( 124) = ( 0.2500000 0.0883026 0.7481565), wk = 0.0015625 k( 125) = ( 0.2500000 0.0883026 0.9016245), wk = 0.0015625 k( 126) = ( 0.2500000 0.0883026 -0.4795875), wk = 0.0015625 k( 127) = ( 0.2500000 0.0883026 -0.3261195), wk = 0.0015625 k( 128) = ( 0.2500000 0.0883026 -0.1726515), wk = 0.0015625 k( 129) = ( 0.2500000 0.0883026 -0.0191835), wk = 0.0015625 k( 130) = ( 0.2500000 0.0883026 0.1342845), wk = 0.0015625 k( 131) = ( 0.2500000 0.2147492 0.3836700), wk = 0.0031250 k( 132) = ( 0.2500000 0.2147492 0.5371380), wk = 0.0031250 k( 133) = ( 0.2500000 0.2147492 0.6906060), wk = 0.0031250 k( 134) = ( 0.2500000 0.2147492 -0.2302020), wk = 0.0031250 k( 135) = ( 0.2500000 0.2147492 -0.0767340), wk = 0.0031250 k( 136) = ( 0.2500000 0.3411958 0.4795875), wk = 0.0015625 k( 137) = ( 0.2500000 0.3411958 0.6330555), wk = 0.0015625 k( 138) = ( 0.2500000 0.3411958 0.7865235), wk = 0.0015625 k( 139) = ( 0.2500000 0.3411958 0.9399915), wk = 0.0015625 k( 140) = ( 0.2500000 0.3411958 1.0934594), wk = 0.0015625 k( 141) = ( 0.2500000 0.3411958 -0.2877525), wk = 0.0015625 k( 142) = ( 0.2500000 0.3411958 -0.1342845), wk = 0.0015625 k( 143) = ( 0.2500000 0.3411958 0.0191835), wk = 0.0015625 k( 144) = ( 0.2500000 0.3411958 0.1726515), wk = 0.0015625 k( 145) = ( 0.2500000 0.3411958 0.3261195), wk = 0.0015625 k( 146) = ( 0.2500000 -0.5439304 -0.1918350), wk = 0.0015625 k( 147) = ( 0.2500000 -0.5439304 -0.0383670), wk = 0.0015625 k( 148) = ( 0.2500000 -0.5439304 0.1151010), wk = 0.0015625 k( 149) = ( 0.2500000 -0.5439304 0.2685690), wk = 0.0015625 k( 150) = ( 0.2500000 -0.5439304 0.4220370), wk = 0.0015625 k( 151) = ( 0.2500000 -0.5439304 -0.9591749), wk = 0.0015625 k( 152) = ( 0.2500000 -0.5439304 -0.8057070), wk = 0.0015625 k( 153) = ( 0.2500000 -0.5439304 -0.6522390), wk = 0.0015625 k( 154) = ( 0.2500000 -0.5439304 -0.4987710), wk = 0.0015625 k( 155) = ( 0.2500000 -0.5439304 -0.3453030), wk = 0.0015625 k( 156) = ( 0.2500000 -0.4174838 -0.0959175), wk = 0.0015625 k( 157) = ( 0.2500000 -0.4174838 0.0575505), wk = 0.0015625 k( 158) = ( 0.2500000 -0.4174838 0.2110185), wk = 0.0015625 k( 159) = ( 0.2500000 -0.4174838 0.3644865), wk = 0.0015625 k( 160) = ( 0.2500000 -0.4174838 0.5179545), wk = 0.0015625 k( 161) = ( 0.2500000 -0.4174838 -0.8632575), wk = 0.0015625 k( 162) = ( 0.2500000 -0.4174838 -0.7097895), wk = 0.0015625 k( 163) = ( 0.2500000 -0.4174838 -0.5563215), wk = 0.0015625 k( 164) = ( 0.2500000 -0.4174838 -0.4028535), wk = 0.0015625 k( 165) = ( 0.2500000 -0.4174838 -0.2493855), wk = 0.0015625 k( 166) = ( 0.2500000 -0.2910372 0.0000000), wk = 0.0031250 k( 167) = ( 0.2500000 -0.2910372 0.1534680), wk = 0.0031250 k( 168) = ( 0.2500000 -0.2910372 0.3069360), wk = 0.0031250 k( 169) = ( 0.2500000 -0.2910372 0.4604040), wk = 0.0031250 k( 170) = ( 0.2500000 -0.2910372 0.6138720), wk = 0.0031250 k( 171) = ( 0.2500000 -0.2910372 -0.7673400), wk = 0.0031250 k( 172) = ( 0.2500000 -0.1645906 0.0959175), wk = 0.0015625 k( 173) = ( 0.2500000 -0.1645906 0.2493855), wk = 0.0015625 k( 174) = ( 0.2500000 -0.1645906 0.4028535), wk = 0.0015625 k( 175) = ( 0.2500000 -0.1645906 0.5563215), wk = 0.0015625 k( 176) = ( 0.2500000 -0.1645906 0.7097895), wk = 0.0015625 k( 177) = ( 0.2500000 -0.1645906 -0.6714225), wk = 0.0015625 k( 178) = ( 0.2500000 -0.1645906 -0.5179545), wk = 0.0015625 k( 179) = ( 0.2500000 -0.1645906 -0.3644865), wk = 0.0015625 k( 180) = ( 0.2500000 -0.1645906 -0.2110185), wk = 0.0015625 k( 181) = ( 0.2500000 -0.1645906 -0.0575505), wk = 0.0015625 k( 182) = ( 0.3750000 -0.0572160 0.2877525), wk = 0.0015625 k( 183) = ( 0.3750000 -0.0572160 0.4412205), wk = 0.0015625 k( 184) = ( 0.3750000 -0.0572160 0.5946885), wk = 0.0015625 k( 185) = ( 0.3750000 -0.0572160 0.7481565), wk = 0.0015625 k( 186) = ( 0.3750000 -0.0572160 0.9016245), wk = 0.0015625 k( 187) = ( 0.3750000 -0.0572160 -0.4795875), wk = 0.0015625 k( 188) = ( 0.3750000 -0.0572160 -0.3261195), wk = 0.0015625 k( 189) = ( 0.3750000 -0.0572160 -0.1726515), wk = 0.0015625 k( 190) = ( 0.3750000 -0.0572160 -0.0191835), wk = 0.0015625 k( 191) = ( 0.3750000 -0.0572160 0.1342845), wk = 0.0015625 k( 192) = ( 0.3750000 0.0692306 0.3836700), wk = 0.0031250 k( 193) = ( 0.3750000 0.0692306 0.5371380), wk = 0.0031250 k( 194) = ( 0.3750000 0.0692306 0.6906060), wk = 0.0031250 k( 195) = ( 0.3750000 0.0692306 -0.2302020), wk = 0.0031250 k( 196) = ( 0.3750000 0.0692306 -0.0767340), wk = 0.0031250 k( 197) = ( 0.3750000 0.1956772 0.4795875), wk = 0.0015625 k( 198) = ( 0.3750000 0.1956772 0.6330555), wk = 0.0015625 k( 199) = ( 0.3750000 0.1956772 0.7865235), wk = 0.0015625 k( 200) = ( 0.3750000 0.1956772 0.9399915), wk = 0.0015625 k( 201) = ( 0.3750000 0.1956772 1.0934594), wk = 0.0015625 k( 202) = ( 0.3750000 0.1956772 -0.2877525), wk = 0.0015625 k( 203) = ( 0.3750000 0.1956772 -0.1342845), wk = 0.0015625 k( 204) = ( 0.3750000 0.1956772 0.0191835), wk = 0.0015625 k( 205) = ( 0.3750000 0.1956772 0.1726515), wk = 0.0015625 k( 206) = ( 0.3750000 0.1956772 0.3261195), wk = 0.0015625 k( 207) = ( 0.3750000 0.3221238 0.5755050), wk = 0.0015625 k( 208) = ( 0.3750000 0.3221238 0.7289730), wk = 0.0015625 k( 209) = ( 0.3750000 0.3221238 0.8824410), wk = 0.0015625 k( 210) = ( 0.3750000 0.3221238 1.0359089), wk = 0.0015625 k( 211) = ( 0.3750000 0.3221238 1.1893769), wk = 0.0015625 k( 212) = ( 0.3750000 0.3221238 -0.1918350), wk = 0.0015625 k( 213) = ( 0.3750000 0.3221238 -0.0383670), wk = 0.0015625 k( 214) = ( 0.3750000 0.3221238 0.1151010), wk = 0.0015625 k( 215) = ( 0.3750000 0.3221238 0.2685690), wk = 0.0015625 k( 216) = ( 0.3750000 0.3221238 0.4220370), wk = 0.0015625 k( 217) = ( 0.3750000 -0.5630024 -0.0959175), wk = 0.0015625 k( 218) = ( 0.3750000 -0.5630024 0.0575505), wk = 0.0015625 k( 219) = ( 0.3750000 -0.5630024 0.2110185), wk = 0.0015625 k( 220) = ( 0.3750000 -0.5630024 0.3644865), wk = 0.0015625 k( 221) = ( 0.3750000 -0.5630024 0.5179545), wk = 0.0015625 k( 222) = ( 0.3750000 -0.5630024 -0.8632575), wk = 0.0015625 k( 223) = ( 0.3750000 -0.5630024 -0.7097895), wk = 0.0015625 k( 224) = ( 0.3750000 -0.5630024 -0.5563215), wk = 0.0015625 k( 225) = ( 0.3750000 -0.5630024 -0.4028535), wk = 0.0015625 k( 226) = ( 0.3750000 -0.5630024 -0.2493855), wk = 0.0015625 k( 227) = ( 0.3750000 -0.4365558 0.0000000), wk = 0.0031250 k( 228) = ( 0.3750000 -0.4365558 0.1534680), wk = 0.0031250 k( 229) = ( 0.3750000 -0.4365558 0.3069360), wk = 0.0031250 k( 230) = ( 0.3750000 -0.4365558 0.4604040), wk = 0.0031250 k( 231) = ( 0.3750000 -0.4365558 0.6138720), wk = 0.0031250 k( 232) = ( 0.3750000 -0.4365558 -0.7673400), wk = 0.0031250 k( 233) = ( 0.3750000 -0.3101092 0.0959175), wk = 0.0015625 k( 234) = ( 0.3750000 -0.3101092 0.2493855), wk = 0.0015625 k( 235) = ( 0.3750000 -0.3101092 0.4028535), wk = 0.0015625 k( 236) = ( 0.3750000 -0.3101092 0.5563215), wk = 0.0015625 k( 237) = ( 0.3750000 -0.3101092 0.7097895), wk = 0.0015625 k( 238) = ( 0.3750000 -0.3101092 -0.6714225), wk = 0.0015625 k( 239) = ( 0.3750000 -0.3101092 -0.5179545), wk = 0.0015625 k( 240) = ( 0.3750000 -0.3101092 -0.3644865), wk = 0.0015625 k( 241) = ( 0.3750000 -0.3101092 -0.2110185), wk = 0.0015625 k( 242) = ( 0.3750000 -0.3101092 -0.0575505), wk = 0.0015625 k( 243) = ( 0.3750000 -0.1836626 0.1918350), wk = 0.0015625 k( 244) = ( 0.3750000 -0.1836626 0.3453030), wk = 0.0015625 k( 245) = ( 0.3750000 -0.1836626 0.4987710), wk = 0.0015625 k( 246) = ( 0.3750000 -0.1836626 0.6522390), wk = 0.0015625 k( 247) = ( 0.3750000 -0.1836626 0.8057070), wk = 0.0015625 k( 248) = ( 0.3750000 -0.1836626 -0.5755050), wk = 0.0015625 k( 249) = ( 0.3750000 -0.1836626 -0.4220370), wk = 0.0015625 k( 250) = ( 0.3750000 -0.1836626 -0.2685690), wk = 0.0015625 k( 251) = ( 0.3750000 -0.1836626 -0.1151010), wk = 0.0015625 k( 252) = ( 0.3750000 -0.1836626 0.0383670), wk = 0.0015625 k( 253) = ( -0.5000000 0.0762880 -0.3836700), wk = 0.0015625 k( 254) = ( -0.5000000 0.0762880 -0.2302020), wk = 0.0031250 k( 255) = ( -0.5000000 0.0762880 -0.0767340), wk = 0.0031250 k( 256) = ( -0.5000000 0.2027346 -0.2877525), wk = 0.0015625 k( 257) = ( -0.5000000 0.2027346 -0.1342845), wk = 0.0015625 k( 258) = ( -0.5000000 0.2027346 0.0191835), wk = 0.0015625 k( 259) = ( -0.5000000 0.2027346 0.1726515), wk = 0.0015625 k( 260) = ( -0.5000000 0.2027346 0.3261195), wk = 0.0015625 k( 261) = ( -0.5000000 0.2027346 -1.0550924), wk = 0.0015625 k( 262) = ( -0.5000000 0.2027346 -0.9016245), wk = 0.0015625 k( 263) = ( -0.5000000 0.2027346 -0.7481565), wk = 0.0015625 k( 264) = ( -0.5000000 0.2027346 -0.5946885), wk = 0.0015625 k( 265) = ( -0.5000000 0.2027346 -0.4412205), wk = 0.0015625 k( 266) = ( -0.5000000 0.3291812 -0.1918350), wk = 0.0015625 k( 267) = ( -0.5000000 0.3291812 -0.0383670), wk = 0.0015625 k( 268) = ( -0.5000000 0.3291812 0.1151010), wk = 0.0015625 k( 269) = ( -0.5000000 0.3291812 0.2685690), wk = 0.0015625 k( 270) = ( -0.5000000 0.3291812 0.4220370), wk = 0.0015625 k( 271) = ( -0.5000000 0.3291812 -0.9591749), wk = 0.0015625 k( 272) = ( -0.5000000 0.3291812 -0.8057070), wk = 0.0015625 k( 273) = ( -0.5000000 0.3291812 -0.6522390), wk = 0.0015625 k( 274) = ( -0.5000000 0.3291812 -0.4987710), wk = 0.0015625 k( 275) = ( -0.5000000 0.3291812 -0.3453030), wk = 0.0015625 k( 276) = ( -0.5000000 0.4556278 -0.0959175), wk = 0.0015625 k( 277) = ( -0.5000000 0.4556278 0.0575505), wk = 0.0015625 k( 278) = ( -0.5000000 0.4556278 0.2110185), wk = 0.0015625 k( 279) = ( -0.5000000 0.4556278 0.3644865), wk = 0.0015625 k( 280) = ( -0.5000000 0.4556278 0.5179545), wk = 0.0015625 k( 281) = ( -0.5000000 0.4556278 -0.8632575), wk = 0.0015625 k( 282) = ( -0.5000000 0.4556278 -0.7097895), wk = 0.0015625 k( 283) = ( -0.5000000 0.4556278 -0.5563215), wk = 0.0015625 k( 284) = ( -0.5000000 0.4556278 -0.4028535), wk = 0.0015625 k( 285) = ( -0.5000000 0.4556278 -0.2493855), wk = 0.0015625 k( 286) = ( -0.5000000 -0.4294984 -0.7673400), wk = 0.0015625 k( 287) = ( -0.5000000 -0.4294984 -0.6138720), wk = 0.0031250 k( 288) = ( -0.5000000 -0.4294984 -0.4604040), wk = 0.0031250 k( 289) = ( -0.5000000 -0.4294984 -0.3069360), wk = 0.0031250 k( 290) = ( -0.5000000 -0.4294984 -0.1534680), wk = 0.0031250 k( 291) = ( -0.5000000 -0.4294984 -1.5346799), wk = 0.0015625 k( 292) = ( 0.0000000 -0.1264466 0.0959175), wk = 0.0015625 k( 293) = ( 0.0000000 -0.1264466 0.2493855), wk = 0.0015625 k( 294) = ( 0.0000000 -0.1264466 0.4028535), wk = 0.0015625 k( 295) = ( 0.0000000 -0.1264466 0.5563215), wk = 0.0015625 k( 296) = ( 0.0000000 -0.1264466 0.7097895), wk = 0.0015625 k( 297) = ( 0.0000000 -0.1264466 -0.6714225), wk = 0.0015625 k( 298) = ( 0.0000000 -0.1264466 -0.5179545), wk = 0.0015625 k( 299) = ( 0.0000000 -0.1264466 -0.3644865), wk = 0.0015625 k( 300) = ( 0.0000000 -0.1264466 -0.2110185), wk = 0.0015625 k( 301) = ( 0.0000000 -0.1264466 -0.0575505), wk = 0.0015625 k( 302) = ( 0.0000000 -0.2528932 0.1918350), wk = 0.0015625 k( 303) = ( 0.0000000 -0.2528932 0.3453030), wk = 0.0015625 k( 304) = ( 0.0000000 -0.2528932 0.4987710), wk = 0.0015625 k( 305) = ( 0.0000000 -0.2528932 0.6522390), wk = 0.0015625 k( 306) = ( 0.0000000 -0.2528932 0.8057070), wk = 0.0015625 k( 307) = ( 0.0000000 -0.2528932 -0.5755050), wk = 0.0015625 k( 308) = ( 0.0000000 -0.2528932 -0.4220370), wk = 0.0015625 k( 309) = ( 0.0000000 -0.2528932 -0.2685690), wk = 0.0015625 k( 310) = ( 0.0000000 -0.2528932 -0.1151010), wk = 0.0015625 k( 311) = ( 0.0000000 -0.2528932 0.0383670), wk = 0.0015625 k( 312) = ( 0.0000000 -0.3793398 0.2877525), wk = 0.0015625 k( 313) = ( 0.0000000 -0.3793398 0.4412205), wk = 0.0015625 k( 314) = ( 0.0000000 -0.3793398 0.5946885), wk = 0.0015625 k( 315) = ( 0.0000000 -0.3793398 0.7481565), wk = 0.0015625 k( 316) = ( 0.0000000 -0.3793398 0.9016245), wk = 0.0015625 k( 317) = ( 0.0000000 -0.3793398 -0.4795875), wk = 0.0015625 k( 318) = ( 0.0000000 -0.3793398 -0.3261195), wk = 0.0015625 k( 319) = ( 0.0000000 -0.3793398 -0.1726515), wk = 0.0015625 k( 320) = ( 0.0000000 -0.3793398 -0.0191835), wk = 0.0015625 k( 321) = ( 0.0000000 -0.3793398 0.1342845), wk = 0.0015625 k( 322) = ( 0.0000000 0.5057864 -0.3836700), wk = 0.0015625 k( 323) = ( 0.0000000 0.5057864 -0.2302020), wk = 0.0031250 k( 324) = ( 0.0000000 0.5057864 -0.0767340), wk = 0.0031250 k( 325) = ( -0.1250000 0.0190720 0.0959175), wk = 0.0015625 k( 326) = ( -0.1250000 0.0190720 0.2493855), wk = 0.0015625 k( 327) = ( -0.1250000 0.0190720 0.4028535), wk = 0.0015625 k( 328) = ( -0.1250000 0.0190720 0.5563215), wk = 0.0015625 k( 329) = ( -0.1250000 0.0190720 0.7097895), wk = 0.0015625 k( 330) = ( -0.1250000 0.0190720 -0.6714225), wk = 0.0015625 k( 331) = ( -0.1250000 0.0190720 -0.5179545), wk = 0.0015625 k( 332) = ( -0.1250000 0.0190720 -0.3644865), wk = 0.0015625 k( 333) = ( -0.1250000 0.0190720 -0.2110185), wk = 0.0015625 k( 334) = ( -0.1250000 0.0190720 -0.0575505), wk = 0.0015625 k( 335) = ( -0.1250000 -0.1073746 0.1918350), wk = 0.0015625 k( 336) = ( -0.1250000 -0.1073746 0.3453030), wk = 0.0015625 k( 337) = ( -0.1250000 -0.1073746 0.4987710), wk = 0.0015625 k( 338) = ( -0.1250000 -0.1073746 0.6522390), wk = 0.0015625 k( 339) = ( -0.1250000 -0.1073746 0.8057070), wk = 0.0015625 k( 340) = ( -0.1250000 -0.1073746 -0.5755050), wk = 0.0015625 k( 341) = ( -0.1250000 -0.1073746 -0.4220370), wk = 0.0015625 k( 342) = ( -0.1250000 -0.1073746 -0.2685690), wk = 0.0015625 k( 343) = ( -0.1250000 -0.1073746 -0.1151010), wk = 0.0015625 k( 344) = ( -0.1250000 -0.1073746 0.0383670), wk = 0.0015625 k( 345) = ( -0.1250000 -0.2338212 0.2877525), wk = 0.0015625 k( 346) = ( -0.1250000 -0.2338212 0.4412205), wk = 0.0015625 k( 347) = ( -0.1250000 -0.2338212 0.5946885), wk = 0.0015625 k( 348) = ( -0.1250000 -0.2338212 0.7481565), wk = 0.0015625 k( 349) = ( -0.1250000 -0.2338212 0.9016245), wk = 0.0015625 k( 350) = ( -0.1250000 -0.2338212 -0.4795875), wk = 0.0015625 k( 351) = ( -0.1250000 -0.2338212 -0.3261195), wk = 0.0015625 k( 352) = ( -0.1250000 -0.2338212 -0.1726515), wk = 0.0015625 k( 353) = ( -0.1250000 -0.2338212 -0.0191835), wk = 0.0015625 k( 354) = ( -0.1250000 -0.2338212 0.1342845), wk = 0.0015625 k( 355) = ( -0.1250000 -0.3602678 0.3836700), wk = 0.0031250 k( 356) = ( -0.1250000 -0.3602678 0.5371380), wk = 0.0031250 k( 357) = ( -0.1250000 -0.3602678 0.6906060), wk = 0.0031250 k( 358) = ( -0.1250000 -0.3602678 -0.2302020), wk = 0.0031250 k( 359) = ( -0.1250000 -0.3602678 -0.0767340), wk = 0.0031250 k( 360) = ( -0.1250000 0.5248584 -0.2877525), wk = 0.0015625 k( 361) = ( -0.1250000 0.5248584 -0.1342845), wk = 0.0015625 k( 362) = ( -0.1250000 0.5248584 0.0191835), wk = 0.0015625 k( 363) = ( -0.1250000 0.5248584 0.1726515), wk = 0.0015625 k( 364) = ( -0.1250000 0.5248584 0.3261195), wk = 0.0015625 k( 365) = ( -0.1250000 0.5248584 -1.0550924), wk = 0.0015625 k( 366) = ( -0.1250000 0.5248584 -0.9016245), wk = 0.0015625 k( 367) = ( -0.1250000 0.5248584 -0.7481565), wk = 0.0015625 k( 368) = ( -0.1250000 0.5248584 -0.5946885), wk = 0.0015625 k( 369) = ( -0.1250000 0.5248584 -0.4412205), wk = 0.0015625 k( 370) = ( -0.1250000 0.3984118 -0.1918350), wk = 0.0015625 k( 371) = ( -0.1250000 0.3984118 -0.0383670), wk = 0.0015625 k( 372) = ( -0.1250000 0.3984118 0.1151010), wk = 0.0015625 k( 373) = ( -0.1250000 0.3984118 0.2685690), wk = 0.0015625 k( 374) = ( -0.1250000 0.3984118 0.4220370), wk = 0.0015625 k( 375) = ( -0.1250000 0.3984118 -0.9591749), wk = 0.0015625 k( 376) = ( -0.1250000 0.3984118 -0.8057070), wk = 0.0015625 k( 377) = ( -0.1250000 0.3984118 -0.6522390), wk = 0.0015625 k( 378) = ( -0.1250000 0.3984118 -0.4987710), wk = 0.0015625 k( 379) = ( -0.1250000 0.3984118 -0.3453030), wk = 0.0015625 k( 380) = ( -0.1250000 0.2719652 -0.0959175), wk = 0.0015625 k( 381) = ( -0.1250000 0.2719652 0.0575505), wk = 0.0015625 k( 382) = ( -0.1250000 0.2719652 0.2110185), wk = 0.0015625 k( 383) = ( -0.1250000 0.2719652 0.3644865), wk = 0.0015625 k( 384) = ( -0.1250000 0.2719652 0.5179545), wk = 0.0015625 k( 385) = ( -0.1250000 0.2719652 -0.8632575), wk = 0.0015625 k( 386) = ( -0.1250000 0.2719652 -0.7097895), wk = 0.0015625 k( 387) = ( -0.1250000 0.2719652 -0.5563215), wk = 0.0015625 k( 388) = ( -0.1250000 0.2719652 -0.4028535), wk = 0.0015625 k( 389) = ( -0.1250000 0.2719652 -0.2493855), wk = 0.0015625 k( 390) = ( -0.1250000 0.1455186 0.1534680), wk = 0.0031250 k( 391) = ( -0.1250000 0.1455186 0.3069360), wk = 0.0031250 k( 392) = ( -0.1250000 0.1455186 0.4604040), wk = 0.0031250 k( 393) = ( -0.1250000 0.1455186 0.6138720), wk = 0.0031250 k( 394) = ( -0.2500000 0.0381440 0.1918350), wk = 0.0015625 k( 395) = ( -0.2500000 0.0381440 0.3453030), wk = 0.0015625 k( 396) = ( -0.2500000 0.0381440 0.4987710), wk = 0.0015625 k( 397) = ( -0.2500000 0.0381440 0.6522390), wk = 0.0015625 k( 398) = ( -0.2500000 0.0381440 0.8057070), wk = 0.0015625 k( 399) = ( -0.2500000 0.0381440 -0.5755050), wk = 0.0015625 k( 400) = ( -0.2500000 0.0381440 -0.4220370), wk = 0.0015625 k( 401) = ( -0.2500000 0.0381440 -0.2685690), wk = 0.0015625 k( 402) = ( -0.2500000 0.0381440 -0.1151010), wk = 0.0015625 k( 403) = ( -0.2500000 0.0381440 0.0383670), wk = 0.0015625 k( 404) = ( -0.2500000 -0.0883026 0.2877525), wk = 0.0015625 k( 405) = ( -0.2500000 -0.0883026 0.4412205), wk = 0.0015625 k( 406) = ( -0.2500000 -0.0883026 0.5946885), wk = 0.0015625 k( 407) = ( -0.2500000 -0.0883026 0.7481565), wk = 0.0015625 k( 408) = ( -0.2500000 -0.0883026 0.9016245), wk = 0.0015625 k( 409) = ( -0.2500000 -0.0883026 -0.4795875), wk = 0.0015625 k( 410) = ( -0.2500000 -0.0883026 -0.3261195), wk = 0.0015625 k( 411) = ( -0.2500000 -0.0883026 -0.1726515), wk = 0.0015625 k( 412) = ( -0.2500000 -0.0883026 -0.0191835), wk = 0.0015625 k( 413) = ( -0.2500000 -0.0883026 0.1342845), wk = 0.0015625 k( 414) = ( -0.2500000 -0.2147492 0.3836700), wk = 0.0031250 k( 415) = ( -0.2500000 -0.2147492 0.5371380), wk = 0.0031250 k( 416) = ( -0.2500000 -0.2147492 0.6906060), wk = 0.0031250 k( 417) = ( -0.2500000 -0.2147492 -0.2302020), wk = 0.0031250 k( 418) = ( -0.2500000 -0.2147492 -0.0767340), wk = 0.0031250 k( 419) = ( -0.2500000 -0.3411958 0.4795875), wk = 0.0015625 k( 420) = ( -0.2500000 -0.3411958 0.6330555), wk = 0.0015625 k( 421) = ( -0.2500000 -0.3411958 0.7865235), wk = 0.0015625 k( 422) = ( -0.2500000 -0.3411958 0.9399915), wk = 0.0015625 k( 423) = ( -0.2500000 -0.3411958 1.0934594), wk = 0.0015625 k( 424) = ( -0.2500000 -0.3411958 -0.2877525), wk = 0.0015625 k( 425) = ( -0.2500000 -0.3411958 -0.1342845), wk = 0.0015625 k( 426) = ( -0.2500000 -0.3411958 0.0191835), wk = 0.0015625 k( 427) = ( -0.2500000 -0.3411958 0.1726515), wk = 0.0015625 k( 428) = ( -0.2500000 -0.3411958 0.3261195), wk = 0.0015625 k( 429) = ( -0.2500000 0.5439304 -0.1918350), wk = 0.0015625 k( 430) = ( -0.2500000 0.5439304 -0.0383670), wk = 0.0015625 k( 431) = ( -0.2500000 0.5439304 0.1151010), wk = 0.0015625 k( 432) = ( -0.2500000 0.5439304 0.2685690), wk = 0.0015625 k( 433) = ( -0.2500000 0.5439304 0.4220370), wk = 0.0015625 k( 434) = ( -0.2500000 0.5439304 -0.9591749), wk = 0.0015625 k( 435) = ( -0.2500000 0.5439304 -0.8057070), wk = 0.0015625 k( 436) = ( -0.2500000 0.5439304 -0.6522390), wk = 0.0015625 k( 437) = ( -0.2500000 0.5439304 -0.4987710), wk = 0.0015625 k( 438) = ( -0.2500000 0.5439304 -0.3453030), wk = 0.0015625 k( 439) = ( -0.2500000 0.4174838 -0.0959175), wk = 0.0015625 k( 440) = ( -0.2500000 0.4174838 0.0575505), wk = 0.0015625 k( 441) = ( -0.2500000 0.4174838 0.2110185), wk = 0.0015625 k( 442) = ( -0.2500000 0.4174838 0.3644865), wk = 0.0015625 k( 443) = ( -0.2500000 0.4174838 0.5179545), wk = 0.0015625 k( 444) = ( -0.2500000 0.4174838 -0.8632575), wk = 0.0015625 k( 445) = ( -0.2500000 0.4174838 -0.7097895), wk = 0.0015625 k( 446) = ( -0.2500000 0.4174838 -0.5563215), wk = 0.0015625 k( 447) = ( -0.2500000 0.4174838 -0.4028535), wk = 0.0015625 k( 448) = ( -0.2500000 0.4174838 -0.2493855), wk = 0.0015625 k( 449) = ( -0.2500000 0.2910372 0.1534680), wk = 0.0031250 k( 450) = ( -0.2500000 0.2910372 0.3069360), wk = 0.0031250 k( 451) = ( -0.2500000 0.2910372 0.4604040), wk = 0.0031250 k( 452) = ( -0.2500000 0.2910372 0.6138720), wk = 0.0031250 k( 453) = ( -0.2500000 0.1645906 0.0959175), wk = 0.0015625 k( 454) = ( -0.2500000 0.1645906 0.2493855), wk = 0.0015625 k( 455) = ( -0.2500000 0.1645906 0.4028535), wk = 0.0015625 k( 456) = ( -0.2500000 0.1645906 0.5563215), wk = 0.0015625 k( 457) = ( -0.2500000 0.1645906 0.7097895), wk = 0.0015625 k( 458) = ( -0.2500000 0.1645906 -0.6714225), wk = 0.0015625 k( 459) = ( -0.2500000 0.1645906 -0.5179545), wk = 0.0015625 k( 460) = ( -0.2500000 0.1645906 -0.3644865), wk = 0.0015625 k( 461) = ( -0.2500000 0.1645906 -0.2110185), wk = 0.0015625 k( 462) = ( -0.2500000 0.1645906 -0.0575505), wk = 0.0015625 k( 463) = ( -0.3750000 0.0572160 0.2877525), wk = 0.0015625 k( 464) = ( -0.3750000 0.0572160 0.4412205), wk = 0.0015625 k( 465) = ( -0.3750000 0.0572160 0.5946885), wk = 0.0015625 k( 466) = ( -0.3750000 0.0572160 0.7481565), wk = 0.0015625 k( 467) = ( -0.3750000 0.0572160 0.9016245), wk = 0.0015625 k( 468) = ( -0.3750000 0.0572160 -0.4795875), wk = 0.0015625 k( 469) = ( -0.3750000 0.0572160 -0.3261195), wk = 0.0015625 k( 470) = ( -0.3750000 0.0572160 -0.1726515), wk = 0.0015625 k( 471) = ( -0.3750000 0.0572160 -0.0191835), wk = 0.0015625 k( 472) = ( -0.3750000 0.0572160 0.1342845), wk = 0.0015625 k( 473) = ( -0.3750000 -0.0692306 0.3836700), wk = 0.0031250 k( 474) = ( -0.3750000 -0.0692306 0.5371380), wk = 0.0031250 k( 475) = ( -0.3750000 -0.0692306 0.6906060), wk = 0.0031250 k( 476) = ( -0.3750000 -0.0692306 -0.2302020), wk = 0.0031250 k( 477) = ( -0.3750000 -0.0692306 -0.0767340), wk = 0.0031250 k( 478) = ( -0.3750000 -0.1956772 0.4795875), wk = 0.0015625 k( 479) = ( -0.3750000 -0.1956772 0.6330555), wk = 0.0015625 k( 480) = ( -0.3750000 -0.1956772 0.7865235), wk = 0.0015625 k( 481) = ( -0.3750000 -0.1956772 0.9399915), wk = 0.0015625 k( 482) = ( -0.3750000 -0.1956772 1.0934594), wk = 0.0015625 k( 483) = ( -0.3750000 -0.1956772 -0.2877525), wk = 0.0015625 k( 484) = ( -0.3750000 -0.1956772 -0.1342845), wk = 0.0015625 k( 485) = ( -0.3750000 -0.1956772 0.0191835), wk = 0.0015625 k( 486) = ( -0.3750000 -0.1956772 0.1726515), wk = 0.0015625 k( 487) = ( -0.3750000 -0.1956772 0.3261195), wk = 0.0015625 k( 488) = ( -0.3750000 -0.3221238 0.5755050), wk = 0.0015625 k( 489) = ( -0.3750000 -0.3221238 0.7289730), wk = 0.0015625 k( 490) = ( -0.3750000 -0.3221238 0.8824410), wk = 0.0015625 k( 491) = ( -0.3750000 -0.3221238 1.0359089), wk = 0.0015625 k( 492) = ( -0.3750000 -0.3221238 1.1893769), wk = 0.0015625 k( 493) = ( -0.3750000 -0.3221238 -0.1918350), wk = 0.0015625 k( 494) = ( -0.3750000 -0.3221238 -0.0383670), wk = 0.0015625 k( 495) = ( -0.3750000 -0.3221238 0.1151010), wk = 0.0015625 k( 496) = ( -0.3750000 -0.3221238 0.2685690), wk = 0.0015625 k( 497) = ( -0.3750000 -0.3221238 0.4220370), wk = 0.0015625 k( 498) = ( -0.3750000 0.5630024 -0.0959175), wk = 0.0015625 k( 499) = ( -0.3750000 0.5630024 0.0575505), wk = 0.0015625 k( 500) = ( -0.3750000 0.5630024 0.2110185), wk = 0.0015625 k( 501) = ( -0.3750000 0.5630024 0.3644865), wk = 0.0015625 k( 502) = ( -0.3750000 0.5630024 0.5179545), wk = 0.0015625 k( 503) = ( -0.3750000 0.5630024 -0.8632575), wk = 0.0015625 k( 504) = ( -0.3750000 0.5630024 -0.7097895), wk = 0.0015625 k( 505) = ( -0.3750000 0.5630024 -0.5563215), wk = 0.0015625 k( 506) = ( -0.3750000 0.5630024 -0.4028535), wk = 0.0015625 k( 507) = ( -0.3750000 0.5630024 -0.2493855), wk = 0.0015625 k( 508) = ( -0.3750000 0.4365558 0.1534680), wk = 0.0031250 k( 509) = ( -0.3750000 0.4365558 0.3069360), wk = 0.0031250 k( 510) = ( -0.3750000 0.4365558 0.4604040), wk = 0.0031250 k( 511) = ( -0.3750000 0.4365558 0.6138720), wk = 0.0031250 k( 512) = ( -0.3750000 0.3101092 0.0959175), wk = 0.0015625 k( 513) = ( -0.3750000 0.3101092 0.2493855), wk = 0.0015625 k( 514) = ( -0.3750000 0.3101092 0.4028535), wk = 0.0015625 k( 515) = ( -0.3750000 0.3101092 0.5563215), wk = 0.0015625 k( 516) = ( -0.3750000 0.3101092 0.7097895), wk = 0.0015625 k( 517) = ( -0.3750000 0.3101092 -0.6714225), wk = 0.0015625 k( 518) = ( -0.3750000 0.3101092 -0.5179545), wk = 0.0015625 k( 519) = ( -0.3750000 0.3101092 -0.3644865), wk = 0.0015625 k( 520) = ( -0.3750000 0.3101092 -0.2110185), wk = 0.0015625 k( 521) = ( -0.3750000 0.3101092 -0.0575505), wk = 0.0015625 k( 522) = ( -0.3750000 0.1836626 0.1918350), wk = 0.0015625 k( 523) = ( -0.3750000 0.1836626 0.3453030), wk = 0.0015625 k( 524) = ( -0.3750000 0.1836626 0.4987710), wk = 0.0015625 k( 525) = ( -0.3750000 0.1836626 0.6522390), wk = 0.0015625 k( 526) = ( -0.3750000 0.1836626 0.8057070), wk = 0.0015625 k( 527) = ( -0.3750000 0.1836626 -0.5755050), wk = 0.0015625 k( 528) = ( -0.3750000 0.1836626 -0.4220370), wk = 0.0015625 k( 529) = ( -0.3750000 0.1836626 -0.2685690), wk = 0.0015625 k( 530) = ( -0.3750000 0.1836626 -0.1151010), wk = 0.0015625 k( 531) = ( -0.3750000 0.1836626 0.0383670), wk = 0.0015625 k( 532) = ( 0.5000000 -0.0762880 -0.3836700), wk = 0.0015625 k( 533) = ( 0.5000000 -0.0762880 -0.2302020), wk = 0.0031250 k( 534) = ( 0.5000000 -0.0762880 -0.0767340), wk = 0.0031250 k( 535) = ( 0.5000000 -0.2027346 -0.2877525), wk = 0.0015625 k( 536) = ( 0.5000000 -0.2027346 -0.1342845), wk = 0.0015625 k( 537) = ( 0.5000000 -0.2027346 0.0191835), wk = 0.0015625 k( 538) = ( 0.5000000 -0.2027346 0.1726515), wk = 0.0015625 k( 539) = ( 0.5000000 -0.2027346 0.3261195), wk = 0.0015625 k( 540) = ( 0.5000000 -0.2027346 -1.0550924), wk = 0.0015625 k( 541) = ( 0.5000000 -0.2027346 -0.9016245), wk = 0.0015625 k( 542) = ( 0.5000000 -0.2027346 -0.7481565), wk = 0.0015625 k( 543) = ( 0.5000000 -0.2027346 -0.5946885), wk = 0.0015625 k( 544) = ( 0.5000000 -0.2027346 -0.4412205), wk = 0.0015625 k( 545) = ( 0.5000000 -0.3291812 -0.1918350), wk = 0.0015625 k( 546) = ( 0.5000000 -0.3291812 -0.0383670), wk = 0.0015625 k( 547) = ( 0.5000000 -0.3291812 0.1151010), wk = 0.0015625 k( 548) = ( 0.5000000 -0.3291812 0.2685690), wk = 0.0015625 k( 549) = ( 0.5000000 -0.3291812 0.4220370), wk = 0.0015625 k( 550) = ( 0.5000000 -0.3291812 -0.9591749), wk = 0.0015625 k( 551) = ( 0.5000000 -0.3291812 -0.8057070), wk = 0.0015625 k( 552) = ( 0.5000000 -0.3291812 -0.6522390), wk = 0.0015625 k( 553) = ( 0.5000000 -0.3291812 -0.4987710), wk = 0.0015625 k( 554) = ( 0.5000000 -0.3291812 -0.3453030), wk = 0.0015625 k( 555) = ( 0.5000000 -0.4556278 -0.0959175), wk = 0.0015625 k( 556) = ( 0.5000000 -0.4556278 0.0575505), wk = 0.0015625 k( 557) = ( 0.5000000 -0.4556278 0.2110185), wk = 0.0015625 k( 558) = ( 0.5000000 -0.4556278 0.3644865), wk = 0.0015625 k( 559) = ( 0.5000000 -0.4556278 0.5179545), wk = 0.0015625 k( 560) = ( 0.5000000 -0.4556278 -0.8632575), wk = 0.0015625 k( 561) = ( 0.5000000 -0.4556278 -0.7097895), wk = 0.0015625 k( 562) = ( 0.5000000 -0.4556278 -0.5563215), wk = 0.0015625 k( 563) = ( 0.5000000 -0.4556278 -0.4028535), wk = 0.0015625 k( 564) = ( 0.5000000 -0.4556278 -0.2493855), wk = 0.0015625 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015625 k( 2) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0031250 k( 3) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0031250 k( 4) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0031250 k( 5) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0031250 k( 6) = ( 0.0000000 0.0000000 -0.5000000), wk = 0.0015625 k( 7) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0015625 k( 8) = ( 0.0000000 0.1250000 0.1000000), wk = 0.0015625 k( 9) = ( 0.0000000 0.1250000 0.2000000), wk = 0.0015625 k( 10) = ( 0.0000000 0.1250000 0.3000000), wk = 0.0015625 k( 11) = ( 0.0000000 0.1250000 0.4000000), wk = 0.0015625 k( 12) = ( 0.0000000 0.1250000 -0.5000000), wk = 0.0015625 k( 13) = ( 0.0000000 0.1250000 -0.4000000), wk = 0.0015625 k( 14) = ( 0.0000000 0.1250000 -0.3000000), wk = 0.0015625 k( 15) = ( 0.0000000 0.1250000 -0.2000000), wk = 0.0015625 k( 16) = ( 0.0000000 0.1250000 -0.1000000), wk = 0.0015625 k( 17) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0015625 k( 18) = ( 0.0000000 0.2500000 0.1000000), wk = 0.0015625 k( 19) = ( 0.0000000 0.2500000 0.2000000), wk = 0.0015625 k( 20) = ( 0.0000000 0.2500000 0.3000000), wk = 0.0015625 k( 21) = ( 0.0000000 0.2500000 0.4000000), wk = 0.0015625 k( 22) = ( 0.0000000 0.2500000 -0.5000000), wk = 0.0015625 k( 23) = ( 0.0000000 0.2500000 -0.4000000), wk = 0.0015625 k( 24) = ( 0.0000000 0.2500000 -0.3000000), wk = 0.0015625 k( 25) = ( 0.0000000 0.2500000 -0.2000000), wk = 0.0015625 k( 26) = ( 0.0000000 0.2500000 -0.1000000), wk = 0.0015625 k( 27) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0015625 k( 28) = ( 0.0000000 0.3750000 0.1000000), wk = 0.0015625 k( 29) = ( 0.0000000 0.3750000 0.2000000), wk = 0.0015625 k( 30) = ( 0.0000000 0.3750000 0.3000000), wk = 0.0015625 k( 31) = ( 0.0000000 0.3750000 0.4000000), wk = 0.0015625 k( 32) = ( 0.0000000 0.3750000 -0.5000000), wk = 0.0015625 k( 33) = ( 0.0000000 0.3750000 -0.4000000), wk = 0.0015625 k( 34) = ( 0.0000000 0.3750000 -0.3000000), wk = 0.0015625 k( 35) = ( 0.0000000 0.3750000 -0.2000000), wk = 0.0015625 k( 36) = ( 0.0000000 0.3750000 -0.1000000), wk = 0.0015625 k( 37) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0015625 k( 38) = ( 0.0000000 -0.5000000 0.1000000), wk = 0.0031250 k( 39) = ( 0.0000000 -0.5000000 0.2000000), wk = 0.0031250 k( 40) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0015625 k( 41) = ( 0.1250000 0.0000000 0.1000000), wk = 0.0015625 k( 42) = ( 0.1250000 0.0000000 0.2000000), wk = 0.0015625 k( 43) = ( 0.1250000 0.0000000 0.3000000), wk = 0.0015625 k( 44) = ( 0.1250000 0.0000000 0.4000000), wk = 0.0015625 k( 45) = ( 0.1250000 0.0000000 -0.5000000), wk = 0.0015625 k( 46) = ( 0.1250000 0.0000000 -0.4000000), wk = 0.0015625 k( 47) = ( 0.1250000 0.0000000 -0.3000000), wk = 0.0015625 k( 48) = ( 0.1250000 0.0000000 -0.2000000), wk = 0.0015625 k( 49) = ( 0.1250000 0.0000000 -0.1000000), wk = 0.0015625 k( 50) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0015625 k( 51) = ( 0.1250000 0.1250000 0.1000000), wk = 0.0015625 k( 52) = ( 0.1250000 0.1250000 0.2000000), wk = 0.0015625 k( 53) = ( 0.1250000 0.1250000 0.3000000), wk = 0.0015625 k( 54) = ( 0.1250000 0.1250000 0.4000000), wk = 0.0015625 k( 55) = ( 0.1250000 0.1250000 -0.5000000), wk = 0.0015625 k( 56) = ( 0.1250000 0.1250000 -0.4000000), wk = 0.0015625 k( 57) = ( 0.1250000 0.1250000 -0.3000000), wk = 0.0015625 k( 58) = ( 0.1250000 0.1250000 -0.2000000), wk = 0.0015625 k( 59) = ( 0.1250000 0.1250000 -0.1000000), wk = 0.0015625 k( 60) = ( 0.1250000 0.2500000 0.0000000), wk = 0.0015625 k( 61) = ( 0.1250000 0.2500000 0.1000000), wk = 0.0015625 k( 62) = ( 0.1250000 0.2500000 0.2000000), wk = 0.0015625 k( 63) = ( 0.1250000 0.2500000 0.3000000), wk = 0.0015625 k( 64) = ( 0.1250000 0.2500000 0.4000000), wk = 0.0015625 k( 65) = ( 0.1250000 0.2500000 -0.5000000), wk = 0.0015625 k( 66) = ( 0.1250000 0.2500000 -0.4000000), wk = 0.0015625 k( 67) = ( 0.1250000 0.2500000 -0.3000000), wk = 0.0015625 k( 68) = ( 0.1250000 0.2500000 -0.2000000), wk = 0.0015625 k( 69) = ( 0.1250000 0.2500000 -0.1000000), wk = 0.0015625 k( 70) = ( 0.1250000 0.3750000 -0.0000000), wk = 0.0031250 k( 71) = ( 0.1250000 0.3750000 0.1000000), wk = 0.0031250 k( 72) = ( 0.1250000 0.3750000 0.2000000), wk = 0.0031250 k( 73) = ( 0.1250000 0.3750000 -0.4000000), wk = 0.0031250 k( 74) = ( 0.1250000 0.3750000 -0.3000000), wk = 0.0031250 k( 75) = ( 0.1250000 -0.5000000 -0.0000000), wk = 0.0015625 k( 76) = ( 0.1250000 -0.5000000 0.1000000), wk = 0.0015625 k( 77) = ( 0.1250000 -0.5000000 0.2000000), wk = 0.0015625 k( 78) = ( 0.1250000 -0.5000000 0.3000000), wk = 0.0015625 k( 79) = ( 0.1250000 -0.5000000 0.4000000), wk = 0.0015625 k( 80) = ( 0.1250000 -0.5000000 -0.5000000), wk = 0.0015625 k( 81) = ( 0.1250000 -0.5000000 -0.4000000), wk = 0.0015625 k( 82) = ( 0.1250000 -0.5000000 -0.3000000), wk = 0.0015625 k( 83) = ( 0.1250000 -0.5000000 -0.2000000), wk = 0.0015625 k( 84) = ( 0.1250000 -0.5000000 -0.1000000), wk = 0.0015625 k( 85) = ( 0.1250000 -0.3750000 0.0000000), wk = 0.0015625 k( 86) = ( 0.1250000 -0.3750000 0.1000000), wk = 0.0015625 k( 87) = ( 0.1250000 -0.3750000 0.2000000), wk = 0.0015625 k( 88) = ( 0.1250000 -0.3750000 0.3000000), wk = 0.0015625 k( 89) = ( 0.1250000 -0.3750000 0.4000000), wk = 0.0015625 k( 90) = ( 0.1250000 -0.3750000 -0.5000000), wk = 0.0015625 k( 91) = ( 0.1250000 -0.3750000 -0.4000000), wk = 0.0015625 k( 92) = ( 0.1250000 -0.3750000 -0.3000000), wk = 0.0015625 k( 93) = ( 0.1250000 -0.3750000 -0.2000000), wk = 0.0015625 k( 94) = ( 0.1250000 -0.3750000 -0.1000000), wk = 0.0015625 k( 95) = ( 0.1250000 -0.2500000 0.0000000), wk = 0.0015625 k( 96) = ( 0.1250000 -0.2500000 0.1000000), wk = 0.0015625 k( 97) = ( 0.1250000 -0.2500000 0.2000000), wk = 0.0015625 k( 98) = ( 0.1250000 -0.2500000 0.3000000), wk = 0.0015625 k( 99) = ( 0.1250000 -0.2500000 0.4000000), wk = 0.0015625 k( 100) = ( 0.1250000 -0.2500000 -0.5000000), wk = 0.0015625 k( 101) = ( 0.1250000 -0.2500000 -0.4000000), wk = 0.0015625 k( 102) = ( 0.1250000 -0.2500000 -0.3000000), wk = 0.0015625 k( 103) = ( 0.1250000 -0.2500000 -0.2000000), wk = 0.0015625 k( 104) = ( 0.1250000 -0.2500000 -0.1000000), wk = 0.0015625 k( 105) = ( 0.1250000 -0.1250000 0.0000000), wk = 0.0031250 k( 106) = ( 0.1250000 -0.1250000 0.1000000), wk = 0.0031250 k( 107) = ( 0.1250000 -0.1250000 0.2000000), wk = 0.0031250 k( 108) = ( 0.1250000 -0.1250000 0.3000000), wk = 0.0031250 k( 109) = ( 0.1250000 -0.1250000 0.4000000), wk = 0.0031250 k( 110) = ( 0.1250000 -0.1250000 -0.5000000), wk = 0.0031250 k( 111) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0015625 k( 112) = ( 0.2500000 0.0000000 0.1000000), wk = 0.0015625 k( 113) = ( 0.2500000 0.0000000 0.2000000), wk = 0.0015625 k( 114) = ( 0.2500000 0.0000000 0.3000000), wk = 0.0015625 k( 115) = ( 0.2500000 0.0000000 0.4000000), wk = 0.0015625 k( 116) = ( 0.2500000 0.0000000 -0.5000000), wk = 0.0015625 k( 117) = ( 0.2500000 0.0000000 -0.4000000), wk = 0.0015625 k( 118) = ( 0.2500000 0.0000000 -0.3000000), wk = 0.0015625 k( 119) = ( 0.2500000 0.0000000 -0.2000000), wk = 0.0015625 k( 120) = ( 0.2500000 0.0000000 -0.1000000), wk = 0.0015625 k( 121) = ( 0.2500000 0.1250000 0.0000000), wk = 0.0015625 k( 122) = ( 0.2500000 0.1250000 0.1000000), wk = 0.0015625 k( 123) = ( 0.2500000 0.1250000 0.2000000), wk = 0.0015625 k( 124) = ( 0.2500000 0.1250000 0.3000000), wk = 0.0015625 k( 125) = ( 0.2500000 0.1250000 0.4000000), wk = 0.0015625 k( 126) = ( 0.2500000 0.1250000 -0.5000000), wk = 0.0015625 k( 127) = ( 0.2500000 0.1250000 -0.4000000), wk = 0.0015625 k( 128) = ( 0.2500000 0.1250000 -0.3000000), wk = 0.0015625 k( 129) = ( 0.2500000 0.1250000 -0.2000000), wk = 0.0015625 k( 130) = ( 0.2500000 0.1250000 -0.1000000), wk = 0.0015625 k( 131) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031250 k( 132) = ( 0.2500000 0.2500000 0.1000000), wk = 0.0031250 k( 133) = ( 0.2500000 0.2500000 0.2000000), wk = 0.0031250 k( 134) = ( 0.2500000 0.2500000 -0.4000000), wk = 0.0031250 k( 135) = ( 0.2500000 0.2500000 -0.3000000), wk = 0.0031250 k( 136) = ( 0.2500000 0.3750000 0.0000000), wk = 0.0015625 k( 137) = ( 0.2500000 0.3750000 0.1000000), wk = 0.0015625 k( 138) = ( 0.2500000 0.3750000 0.2000000), wk = 0.0015625 k( 139) = ( 0.2500000 0.3750000 0.3000000), wk = 0.0015625 k( 140) = ( 0.2500000 0.3750000 0.4000000), wk = 0.0015625 k( 141) = ( 0.2500000 0.3750000 -0.5000000), wk = 0.0015625 k( 142) = ( 0.2500000 0.3750000 -0.4000000), wk = 0.0015625 k( 143) = ( 0.2500000 0.3750000 -0.3000000), wk = 0.0015625 k( 144) = ( 0.2500000 0.3750000 -0.2000000), wk = 0.0015625 k( 145) = ( 0.2500000 0.3750000 -0.1000000), wk = 0.0015625 k( 146) = ( 0.2500000 -0.5000000 0.0000000), wk = 0.0015625 k( 147) = ( 0.2500000 -0.5000000 0.1000000), wk = 0.0015625 k( 148) = ( 0.2500000 -0.5000000 0.2000000), wk = 0.0015625 k( 149) = ( 0.2500000 -0.5000000 0.3000000), wk = 0.0015625 k( 150) = ( 0.2500000 -0.5000000 0.4000000), wk = 0.0015625 k( 151) = ( 0.2500000 -0.5000000 -0.5000000), wk = 0.0015625 k( 152) = ( 0.2500000 -0.5000000 -0.4000000), wk = 0.0015625 k( 153) = ( 0.2500000 -0.5000000 -0.3000000), wk = 0.0015625 k( 154) = ( 0.2500000 -0.5000000 -0.2000000), wk = 0.0015625 k( 155) = ( 0.2500000 -0.5000000 -0.1000000), wk = 0.0015625 k( 156) = ( 0.2500000 -0.3750000 0.0000000), wk = 0.0015625 k( 157) = ( 0.2500000 -0.3750000 0.1000000), wk = 0.0015625 k( 158) = ( 0.2500000 -0.3750000 0.2000000), wk = 0.0015625 k( 159) = ( 0.2500000 -0.3750000 0.3000000), wk = 0.0015625 k( 160) = ( 0.2500000 -0.3750000 0.4000000), wk = 0.0015625 k( 161) = ( 0.2500000 -0.3750000 -0.5000000), wk = 0.0015625 k( 162) = ( 0.2500000 -0.3750000 -0.4000000), wk = 0.0015625 k( 163) = ( 0.2500000 -0.3750000 -0.3000000), wk = 0.0015625 k( 164) = ( 0.2500000 -0.3750000 -0.2000000), wk = 0.0015625 k( 165) = ( 0.2500000 -0.3750000 -0.1000000), wk = 0.0015625 k( 166) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0031250 k( 167) = ( 0.2500000 -0.2500000 0.1000000), wk = 0.0031250 k( 168) = ( 0.2500000 -0.2500000 0.2000000), wk = 0.0031250 k( 169) = ( 0.2500000 -0.2500000 0.3000000), wk = 0.0031250 k( 170) = ( 0.2500000 -0.2500000 0.4000000), wk = 0.0031250 k( 171) = ( 0.2500000 -0.2500000 -0.5000000), wk = 0.0031250 k( 172) = ( 0.2500000 -0.1250000 0.0000000), wk = 0.0015625 k( 173) = ( 0.2500000 -0.1250000 0.1000000), wk = 0.0015625 k( 174) = ( 0.2500000 -0.1250000 0.2000000), wk = 0.0015625 k( 175) = ( 0.2500000 -0.1250000 0.3000000), wk = 0.0015625 k( 176) = ( 0.2500000 -0.1250000 0.4000000), wk = 0.0015625 k( 177) = ( 0.2500000 -0.1250000 -0.5000000), wk = 0.0015625 k( 178) = ( 0.2500000 -0.1250000 -0.4000000), wk = 0.0015625 k( 179) = ( 0.2500000 -0.1250000 -0.3000000), wk = 0.0015625 k( 180) = ( 0.2500000 -0.1250000 -0.2000000), wk = 0.0015625 k( 181) = ( 0.2500000 -0.1250000 -0.1000000), wk = 0.0015625 k( 182) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0015625 k( 183) = ( 0.3750000 -0.0000000 0.1000000), wk = 0.0015625 k( 184) = ( 0.3750000 -0.0000000 0.2000000), wk = 0.0015625 k( 185) = ( 0.3750000 -0.0000000 0.3000000), wk = 0.0015625 k( 186) = ( 0.3750000 -0.0000000 0.4000000), wk = 0.0015625 k( 187) = ( 0.3750000 -0.0000000 -0.5000000), wk = 0.0015625 k( 188) = ( 0.3750000 -0.0000000 -0.4000000), wk = 0.0015625 k( 189) = ( 0.3750000 -0.0000000 -0.3000000), wk = 0.0015625 k( 190) = ( 0.3750000 -0.0000000 -0.2000000), wk = 0.0015625 k( 191) = ( 0.3750000 -0.0000000 -0.1000000), wk = 0.0015625 k( 192) = ( 0.3750000 0.1250000 -0.0000000), wk = 0.0031250 k( 193) = ( 0.3750000 0.1250000 0.1000000), wk = 0.0031250 k( 194) = ( 0.3750000 0.1250000 0.2000000), wk = 0.0031250 k( 195) = ( 0.3750000 0.1250000 -0.4000000), wk = 0.0031250 k( 196) = ( 0.3750000 0.1250000 -0.3000000), wk = 0.0031250 k( 197) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0015625 k( 198) = ( 0.3750000 0.2500000 0.1000000), wk = 0.0015625 k( 199) = ( 0.3750000 0.2500000 0.2000000), wk = 0.0015625 k( 200) = ( 0.3750000 0.2500000 0.3000000), wk = 0.0015625 k( 201) = ( 0.3750000 0.2500000 0.4000000), wk = 0.0015625 k( 202) = ( 0.3750000 0.2500000 -0.5000000), wk = 0.0015625 k( 203) = ( 0.3750000 0.2500000 -0.4000000), wk = 0.0015625 k( 204) = ( 0.3750000 0.2500000 -0.3000000), wk = 0.0015625 k( 205) = ( 0.3750000 0.2500000 -0.2000000), wk = 0.0015625 k( 206) = ( 0.3750000 0.2500000 -0.1000000), wk = 0.0015625 k( 207) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0015625 k( 208) = ( 0.3750000 0.3750000 0.1000000), wk = 0.0015625 k( 209) = ( 0.3750000 0.3750000 0.2000000), wk = 0.0015625 k( 210) = ( 0.3750000 0.3750000 0.3000000), wk = 0.0015625 k( 211) = ( 0.3750000 0.3750000 0.4000000), wk = 0.0015625 k( 212) = ( 0.3750000 0.3750000 -0.5000000), wk = 0.0015625 k( 213) = ( 0.3750000 0.3750000 -0.4000000), wk = 0.0015625 k( 214) = ( 0.3750000 0.3750000 -0.3000000), wk = 0.0015625 k( 215) = ( 0.3750000 0.3750000 -0.2000000), wk = 0.0015625 k( 216) = ( 0.3750000 0.3750000 -0.1000000), wk = 0.0015625 k( 217) = ( 0.3750000 -0.5000000 0.0000000), wk = 0.0015625 k( 218) = ( 0.3750000 -0.5000000 0.1000000), wk = 0.0015625 k( 219) = ( 0.3750000 -0.5000000 0.2000000), wk = 0.0015625 k( 220) = ( 0.3750000 -0.5000000 0.3000000), wk = 0.0015625 k( 221) = ( 0.3750000 -0.5000000 0.4000000), wk = 0.0015625 k( 222) = ( 0.3750000 -0.5000000 -0.5000000), wk = 0.0015625 k( 223) = ( 0.3750000 -0.5000000 -0.4000000), wk = 0.0015625 k( 224) = ( 0.3750000 -0.5000000 -0.3000000), wk = 0.0015625 k( 225) = ( 0.3750000 -0.5000000 -0.2000000), wk = 0.0015625 k( 226) = ( 0.3750000 -0.5000000 -0.1000000), wk = 0.0015625 k( 227) = ( 0.3750000 -0.3750000 0.0000000), wk = 0.0031250 k( 228) = ( 0.3750000 -0.3750000 0.1000000), wk = 0.0031250 k( 229) = ( 0.3750000 -0.3750000 0.2000000), wk = 0.0031250 k( 230) = ( 0.3750000 -0.3750000 0.3000000), wk = 0.0031250 k( 231) = ( 0.3750000 -0.3750000 0.4000000), wk = 0.0031250 k( 232) = ( 0.3750000 -0.3750000 -0.5000000), wk = 0.0031250 k( 233) = ( 0.3750000 -0.2500000 0.0000000), wk = 0.0015625 k( 234) = ( 0.3750000 -0.2500000 0.1000000), wk = 0.0015625 k( 235) = ( 0.3750000 -0.2500000 0.2000000), wk = 0.0015625 k( 236) = ( 0.3750000 -0.2500000 0.3000000), wk = 0.0015625 k( 237) = ( 0.3750000 -0.2500000 0.4000000), wk = 0.0015625 k( 238) = ( 0.3750000 -0.2500000 -0.5000000), wk = 0.0015625 k( 239) = ( 0.3750000 -0.2500000 -0.4000000), wk = 0.0015625 k( 240) = ( 0.3750000 -0.2500000 -0.3000000), wk = 0.0015625 k( 241) = ( 0.3750000 -0.2500000 -0.2000000), wk = 0.0015625 k( 242) = ( 0.3750000 -0.2500000 -0.1000000), wk = 0.0015625 k( 243) = ( 0.3750000 -0.1250000 0.0000000), wk = 0.0015625 k( 244) = ( 0.3750000 -0.1250000 0.1000000), wk = 0.0015625 k( 245) = ( 0.3750000 -0.1250000 0.2000000), wk = 0.0015625 k( 246) = ( 0.3750000 -0.1250000 0.3000000), wk = 0.0015625 k( 247) = ( 0.3750000 -0.1250000 0.4000000), wk = 0.0015625 k( 248) = ( 0.3750000 -0.1250000 -0.5000000), wk = 0.0015625 k( 249) = ( 0.3750000 -0.1250000 -0.4000000), wk = 0.0015625 k( 250) = ( 0.3750000 -0.1250000 -0.3000000), wk = 0.0015625 k( 251) = ( 0.3750000 -0.1250000 -0.2000000), wk = 0.0015625 k( 252) = ( 0.3750000 -0.1250000 -0.1000000), wk = 0.0015625 k( 253) = ( -0.5000000 0.0000000 0.0000000), wk = 0.0015625 k( 254) = ( -0.5000000 0.0000000 0.1000000), wk = 0.0031250 k( 255) = ( -0.5000000 0.0000000 0.2000000), wk = 0.0031250 k( 256) = ( -0.5000000 0.1250000 -0.0000000), wk = 0.0015625 k( 257) = ( -0.5000000 0.1250000 0.1000000), wk = 0.0015625 k( 258) = ( -0.5000000 0.1250000 0.2000000), wk = 0.0015625 k( 259) = ( -0.5000000 0.1250000 0.3000000), wk = 0.0015625 k( 260) = ( -0.5000000 0.1250000 0.4000000), wk = 0.0015625 k( 261) = ( -0.5000000 0.1250000 -0.5000000), wk = 0.0015625 k( 262) = ( -0.5000000 0.1250000 -0.4000000), wk = 0.0015625 k( 263) = ( -0.5000000 0.1250000 -0.3000000), wk = 0.0015625 k( 264) = ( -0.5000000 0.1250000 -0.2000000), wk = 0.0015625 k( 265) = ( -0.5000000 0.1250000 -0.1000000), wk = 0.0015625 k( 266) = ( -0.5000000 0.2500000 -0.0000000), wk = 0.0015625 k( 267) = ( -0.5000000 0.2500000 0.1000000), wk = 0.0015625 k( 268) = ( -0.5000000 0.2500000 0.2000000), wk = 0.0015625 k( 269) = ( -0.5000000 0.2500000 0.3000000), wk = 0.0015625 k( 270) = ( -0.5000000 0.2500000 0.4000000), wk = 0.0015625 k( 271) = ( -0.5000000 0.2500000 -0.5000000), wk = 0.0015625 k( 272) = ( -0.5000000 0.2500000 -0.4000000), wk = 0.0015625 k( 273) = ( -0.5000000 0.2500000 -0.3000000), wk = 0.0015625 k( 274) = ( -0.5000000 0.2500000 -0.2000000), wk = 0.0015625 k( 275) = ( -0.5000000 0.2500000 -0.1000000), wk = 0.0015625 k( 276) = ( -0.5000000 0.3750000 0.0000000), wk = 0.0015625 k( 277) = ( -0.5000000 0.3750000 0.1000000), wk = 0.0015625 k( 278) = ( -0.5000000 0.3750000 0.2000000), wk = 0.0015625 k( 279) = ( -0.5000000 0.3750000 0.3000000), wk = 0.0015625 k( 280) = ( -0.5000000 0.3750000 0.4000000), wk = 0.0015625 k( 281) = ( -0.5000000 0.3750000 -0.5000000), wk = 0.0015625 k( 282) = ( -0.5000000 0.3750000 -0.4000000), wk = 0.0015625 k( 283) = ( -0.5000000 0.3750000 -0.3000000), wk = 0.0015625 k( 284) = ( -0.5000000 0.3750000 -0.2000000), wk = 0.0015625 k( 285) = ( -0.5000000 0.3750000 -0.1000000), wk = 0.0015625 k( 286) = ( -0.5000000 -0.5000000 0.0000000), wk = 0.0015625 k( 287) = ( -0.5000000 -0.5000000 0.1000000), wk = 0.0031250 k( 288) = ( -0.5000000 -0.5000000 0.2000000), wk = 0.0031250 k( 289) = ( -0.5000000 -0.5000000 0.3000000), wk = 0.0031250 k( 290) = ( -0.5000000 -0.5000000 0.4000000), wk = 0.0031250 k( 291) = ( -0.5000000 -0.5000000 -0.5000000), wk = 0.0015625 k( 292) = ( 0.0000000 -0.1250000 0.1250000), wk = 0.0015625 k( 293) = ( 0.0000000 -0.1250000 0.2250000), wk = 0.0015625 k( 294) = ( 0.0000000 -0.1250000 0.3250000), wk = 0.0015625 k( 295) = ( 0.0000000 -0.1250000 0.4250000), wk = 0.0015625 k( 296) = ( 0.0000000 -0.1250000 0.5250000), wk = 0.0015625 k( 297) = ( 0.0000000 -0.1250000 -0.3750000), wk = 0.0015625 k( 298) = ( 0.0000000 -0.1250000 -0.2750000), wk = 0.0015625 k( 299) = ( 0.0000000 -0.1250000 -0.1750000), wk = 0.0015625 k( 300) = ( 0.0000000 -0.1250000 -0.0750000), wk = 0.0015625 k( 301) = ( 0.0000000 -0.1250000 0.0250000), wk = 0.0015625 k( 302) = ( 0.0000000 -0.2500000 0.2500000), wk = 0.0015625 k( 303) = ( 0.0000000 -0.2500000 0.3500000), wk = 0.0015625 k( 304) = ( 0.0000000 -0.2500000 0.4500000), wk = 0.0015625 k( 305) = ( 0.0000000 -0.2500000 0.5500000), wk = 0.0015625 k( 306) = ( 0.0000000 -0.2500000 0.6500000), wk = 0.0015625 k( 307) = ( 0.0000000 -0.2500000 -0.2500000), wk = 0.0015625 k( 308) = ( 0.0000000 -0.2500000 -0.1500000), wk = 0.0015625 k( 309) = ( 0.0000000 -0.2500000 -0.0500000), wk = 0.0015625 k( 310) = ( 0.0000000 -0.2500000 0.0500000), wk = 0.0015625 k( 311) = ( 0.0000000 -0.2500000 0.1500000), wk = 0.0015625 k( 312) = ( 0.0000000 -0.3750000 0.3750000), wk = 0.0015625 k( 313) = ( 0.0000000 -0.3750000 0.4750000), wk = 0.0015625 k( 314) = ( 0.0000000 -0.3750000 0.5750000), wk = 0.0015625 k( 315) = ( 0.0000000 -0.3750000 0.6750000), wk = 0.0015625 k( 316) = ( 0.0000000 -0.3750000 0.7750000), wk = 0.0015625 k( 317) = ( 0.0000000 -0.3750000 -0.1250000), wk = 0.0015625 k( 318) = ( 0.0000000 -0.3750000 -0.0250000), wk = 0.0015625 k( 319) = ( 0.0000000 -0.3750000 0.0750000), wk = 0.0015625 k( 320) = ( 0.0000000 -0.3750000 0.1750000), wk = 0.0015625 k( 321) = ( 0.0000000 -0.3750000 0.2750000), wk = 0.0015625 k( 322) = ( 0.0000000 0.5000000 -0.5000000), wk = 0.0015625 k( 323) = ( 0.0000000 0.5000000 -0.4000000), wk = 0.0031250 k( 324) = ( 0.0000000 0.5000000 -0.3000000), wk = 0.0031250 k( 325) = ( -0.1250000 0.0000000 0.1250000), wk = 0.0015625 k( 326) = ( -0.1250000 0.0000000 0.2250000), wk = 0.0015625 k( 327) = ( -0.1250000 0.0000000 0.3250000), wk = 0.0015625 k( 328) = ( -0.1250000 0.0000000 0.4250000), wk = 0.0015625 k( 329) = ( -0.1250000 0.0000000 0.5250000), wk = 0.0015625 k( 330) = ( -0.1250000 0.0000000 -0.3750000), wk = 0.0015625 k( 331) = ( -0.1250000 0.0000000 -0.2750000), wk = 0.0015625 k( 332) = ( -0.1250000 0.0000000 -0.1750000), wk = 0.0015625 k( 333) = ( -0.1250000 0.0000000 -0.0750000), wk = 0.0015625 k( 334) = ( -0.1250000 0.0000000 0.0250000), wk = 0.0015625 k( 335) = ( -0.1250000 -0.1250000 0.2500000), wk = 0.0015625 k( 336) = ( -0.1250000 -0.1250000 0.3500000), wk = 0.0015625 k( 337) = ( -0.1250000 -0.1250000 0.4500000), wk = 0.0015625 k( 338) = ( -0.1250000 -0.1250000 0.5500000), wk = 0.0015625 k( 339) = ( -0.1250000 -0.1250000 0.6500000), wk = 0.0015625 k( 340) = ( -0.1250000 -0.1250000 -0.2500000), wk = 0.0015625 k( 341) = ( -0.1250000 -0.1250000 -0.1500000), wk = 0.0015625 k( 342) = ( -0.1250000 -0.1250000 -0.0500000), wk = 0.0015625 k( 343) = ( -0.1250000 -0.1250000 0.0500000), wk = 0.0015625 k( 344) = ( -0.1250000 -0.1250000 0.1500000), wk = 0.0015625 k( 345) = ( -0.1250000 -0.2500000 0.3750000), wk = 0.0015625 k( 346) = ( -0.1250000 -0.2500000 0.4750000), wk = 0.0015625 k( 347) = ( -0.1250000 -0.2500000 0.5750000), wk = 0.0015625 k( 348) = ( -0.1250000 -0.2500000 0.6750000), wk = 0.0015625 k( 349) = ( -0.1250000 -0.2500000 0.7750000), wk = 0.0015625 k( 350) = ( -0.1250000 -0.2500000 -0.1250000), wk = 0.0015625 k( 351) = ( -0.1250000 -0.2500000 -0.0250000), wk = 0.0015625 k( 352) = ( -0.1250000 -0.2500000 0.0750000), wk = 0.0015625 k( 353) = ( -0.1250000 -0.2500000 0.1750000), wk = 0.0015625 k( 354) = ( -0.1250000 -0.2500000 0.2750000), wk = 0.0015625 k( 355) = ( -0.1250000 -0.3750000 0.5000000), wk = 0.0031250 k( 356) = ( -0.1250000 -0.3750000 0.6000000), wk = 0.0031250 k( 357) = ( -0.1250000 -0.3750000 0.7000000), wk = 0.0031250 k( 358) = ( -0.1250000 -0.3750000 0.1000000), wk = 0.0031250 k( 359) = ( -0.1250000 -0.3750000 0.2000000), wk = 0.0031250 k( 360) = ( -0.1250000 0.5000000 -0.3750000), wk = 0.0015625 k( 361) = ( -0.1250000 0.5000000 -0.2750000), wk = 0.0015625 k( 362) = ( -0.1250000 0.5000000 -0.1750000), wk = 0.0015625 k( 363) = ( -0.1250000 0.5000000 -0.0750000), wk = 0.0015625 k( 364) = ( -0.1250000 0.5000000 0.0250000), wk = 0.0015625 k( 365) = ( -0.1250000 0.5000000 -0.8750000), wk = 0.0015625 k( 366) = ( -0.1250000 0.5000000 -0.7750000), wk = 0.0015625 k( 367) = ( -0.1250000 0.5000000 -0.6750000), wk = 0.0015625 k( 368) = ( -0.1250000 0.5000000 -0.5750000), wk = 0.0015625 k( 369) = ( -0.1250000 0.5000000 -0.4750000), wk = 0.0015625 k( 370) = ( -0.1250000 0.3750000 -0.2500000), wk = 0.0015625 k( 371) = ( -0.1250000 0.3750000 -0.1500000), wk = 0.0015625 k( 372) = ( -0.1250000 0.3750000 -0.0500000), wk = 0.0015625 k( 373) = ( -0.1250000 0.3750000 0.0500000), wk = 0.0015625 k( 374) = ( -0.1250000 0.3750000 0.1500000), wk = 0.0015625 k( 375) = ( -0.1250000 0.3750000 -0.7500000), wk = 0.0015625 k( 376) = ( -0.1250000 0.3750000 -0.6500000), wk = 0.0015625 k( 377) = ( -0.1250000 0.3750000 -0.5500000), wk = 0.0015625 k( 378) = ( -0.1250000 0.3750000 -0.4500000), wk = 0.0015625 k( 379) = ( -0.1250000 0.3750000 -0.3500000), wk = 0.0015625 k( 380) = ( -0.1250000 0.2500000 -0.1250000), wk = 0.0015625 k( 381) = ( -0.1250000 0.2500000 -0.0250000), wk = 0.0015625 k( 382) = ( -0.1250000 0.2500000 0.0750000), wk = 0.0015625 k( 383) = ( -0.1250000 0.2500000 0.1750000), wk = 0.0015625 k( 384) = ( -0.1250000 0.2500000 0.2750000), wk = 0.0015625 k( 385) = ( -0.1250000 0.2500000 -0.6250000), wk = 0.0015625 k( 386) = ( -0.1250000 0.2500000 -0.5250000), wk = 0.0015625 k( 387) = ( -0.1250000 0.2500000 -0.4250000), wk = 0.0015625 k( 388) = ( -0.1250000 0.2500000 -0.3250000), wk = 0.0015625 k( 389) = ( -0.1250000 0.2500000 -0.2250000), wk = 0.0015625 k( 390) = ( -0.1250000 0.1250000 0.1000000), wk = 0.0031250 k( 391) = ( -0.1250000 0.1250000 0.2000000), wk = 0.0031250 k( 392) = ( -0.1250000 0.1250000 0.3000000), wk = 0.0031250 k( 393) = ( -0.1250000 0.1250000 0.4000000), wk = 0.0031250 k( 394) = ( -0.2500000 0.0000000 0.2500000), wk = 0.0015625 k( 395) = ( -0.2500000 0.0000000 0.3500000), wk = 0.0015625 k( 396) = ( -0.2500000 0.0000000 0.4500000), wk = 0.0015625 k( 397) = ( -0.2500000 0.0000000 0.5500000), wk = 0.0015625 k( 398) = ( -0.2500000 0.0000000 0.6500000), wk = 0.0015625 k( 399) = ( -0.2500000 0.0000000 -0.2500000), wk = 0.0015625 k( 400) = ( -0.2500000 0.0000000 -0.1500000), wk = 0.0015625 k( 401) = ( -0.2500000 0.0000000 -0.0500000), wk = 0.0015625 k( 402) = ( -0.2500000 0.0000000 0.0500000), wk = 0.0015625 k( 403) = ( -0.2500000 0.0000000 0.1500000), wk = 0.0015625 k( 404) = ( -0.2500000 -0.1250000 0.3750000), wk = 0.0015625 k( 405) = ( -0.2500000 -0.1250000 0.4750000), wk = 0.0015625 k( 406) = ( -0.2500000 -0.1250000 0.5750000), wk = 0.0015625 k( 407) = ( -0.2500000 -0.1250000 0.6750000), wk = 0.0015625 k( 408) = ( -0.2500000 -0.1250000 0.7750000), wk = 0.0015625 k( 409) = ( -0.2500000 -0.1250000 -0.1250000), wk = 0.0015625 k( 410) = ( -0.2500000 -0.1250000 -0.0250000), wk = 0.0015625 k( 411) = ( -0.2500000 -0.1250000 0.0750000), wk = 0.0015625 k( 412) = ( -0.2500000 -0.1250000 0.1750000), wk = 0.0015625 k( 413) = ( -0.2500000 -0.1250000 0.2750000), wk = 0.0015625 k( 414) = ( -0.2500000 -0.2500000 0.5000000), wk = 0.0031250 k( 415) = ( -0.2500000 -0.2500000 0.6000000), wk = 0.0031250 k( 416) = ( -0.2500000 -0.2500000 0.7000000), wk = 0.0031250 k( 417) = ( -0.2500000 -0.2500000 0.1000000), wk = 0.0031250 k( 418) = ( -0.2500000 -0.2500000 0.2000000), wk = 0.0031250 k( 419) = ( -0.2500000 -0.3750000 0.6250000), wk = 0.0015625 k( 420) = ( -0.2500000 -0.3750000 0.7250000), wk = 0.0015625 k( 421) = ( -0.2500000 -0.3750000 0.8250000), wk = 0.0015625 k( 422) = ( -0.2500000 -0.3750000 0.9250000), wk = 0.0015625 k( 423) = ( -0.2500000 -0.3750000 1.0250000), wk = 0.0015625 k( 424) = ( -0.2500000 -0.3750000 0.1250000), wk = 0.0015625 k( 425) = ( -0.2500000 -0.3750000 0.2250000), wk = 0.0015625 k( 426) = ( -0.2500000 -0.3750000 0.3250000), wk = 0.0015625 k( 427) = ( -0.2500000 -0.3750000 0.4250000), wk = 0.0015625 k( 428) = ( -0.2500000 -0.3750000 0.5250000), wk = 0.0015625 k( 429) = ( -0.2500000 0.5000000 -0.2500000), wk = 0.0015625 k( 430) = ( -0.2500000 0.5000000 -0.1500000), wk = 0.0015625 k( 431) = ( -0.2500000 0.5000000 -0.0500000), wk = 0.0015625 k( 432) = ( -0.2500000 0.5000000 0.0500000), wk = 0.0015625 k( 433) = ( -0.2500000 0.5000000 0.1500000), wk = 0.0015625 k( 434) = ( -0.2500000 0.5000000 -0.7500000), wk = 0.0015625 k( 435) = ( -0.2500000 0.5000000 -0.6500000), wk = 0.0015625 k( 436) = ( -0.2500000 0.5000000 -0.5500000), wk = 0.0015625 k( 437) = ( -0.2500000 0.5000000 -0.4500000), wk = 0.0015625 k( 438) = ( -0.2500000 0.5000000 -0.3500000), wk = 0.0015625 k( 439) = ( -0.2500000 0.3750000 -0.1250000), wk = 0.0015625 k( 440) = ( -0.2500000 0.3750000 -0.0250000), wk = 0.0015625 k( 441) = ( -0.2500000 0.3750000 0.0750000), wk = 0.0015625 k( 442) = ( -0.2500000 0.3750000 0.1750000), wk = 0.0015625 k( 443) = ( -0.2500000 0.3750000 0.2750000), wk = 0.0015625 k( 444) = ( -0.2500000 0.3750000 -0.6250000), wk = 0.0015625 k( 445) = ( -0.2500000 0.3750000 -0.5250000), wk = 0.0015625 k( 446) = ( -0.2500000 0.3750000 -0.4250000), wk = 0.0015625 k( 447) = ( -0.2500000 0.3750000 -0.3250000), wk = 0.0015625 k( 448) = ( -0.2500000 0.3750000 -0.2250000), wk = 0.0015625 k( 449) = ( -0.2500000 0.2500000 0.1000000), wk = 0.0031250 k( 450) = ( -0.2500000 0.2500000 0.2000000), wk = 0.0031250 k( 451) = ( -0.2500000 0.2500000 0.3000000), wk = 0.0031250 k( 452) = ( -0.2500000 0.2500000 0.4000000), wk = 0.0031250 k( 453) = ( -0.2500000 0.1250000 0.1250000), wk = 0.0015625 k( 454) = ( -0.2500000 0.1250000 0.2250000), wk = 0.0015625 k( 455) = ( -0.2500000 0.1250000 0.3250000), wk = 0.0015625 k( 456) = ( -0.2500000 0.1250000 0.4250000), wk = 0.0015625 k( 457) = ( -0.2500000 0.1250000 0.5250000), wk = 0.0015625 k( 458) = ( -0.2500000 0.1250000 -0.3750000), wk = 0.0015625 k( 459) = ( -0.2500000 0.1250000 -0.2750000), wk = 0.0015625 k( 460) = ( -0.2500000 0.1250000 -0.1750000), wk = 0.0015625 k( 461) = ( -0.2500000 0.1250000 -0.0750000), wk = 0.0015625 k( 462) = ( -0.2500000 0.1250000 0.0250000), wk = 0.0015625 k( 463) = ( -0.3750000 0.0000000 0.3750000), wk = 0.0015625 k( 464) = ( -0.3750000 0.0000000 0.4750000), wk = 0.0015625 k( 465) = ( -0.3750000 0.0000000 0.5750000), wk = 0.0015625 k( 466) = ( -0.3750000 0.0000000 0.6750000), wk = 0.0015625 k( 467) = ( -0.3750000 0.0000000 0.7750000), wk = 0.0015625 k( 468) = ( -0.3750000 0.0000000 -0.1250000), wk = 0.0015625 k( 469) = ( -0.3750000 0.0000000 -0.0250000), wk = 0.0015625 k( 470) = ( -0.3750000 0.0000000 0.0750000), wk = 0.0015625 k( 471) = ( -0.3750000 0.0000000 0.1750000), wk = 0.0015625 k( 472) = ( -0.3750000 0.0000000 0.2750000), wk = 0.0015625 k( 473) = ( -0.3750000 -0.1250000 0.5000000), wk = 0.0031250 k( 474) = ( -0.3750000 -0.1250000 0.6000000), wk = 0.0031250 k( 475) = ( -0.3750000 -0.1250000 0.7000000), wk = 0.0031250 k( 476) = ( -0.3750000 -0.1250000 0.1000000), wk = 0.0031250 k( 477) = ( -0.3750000 -0.1250000 0.2000000), wk = 0.0031250 k( 478) = ( -0.3750000 -0.2500000 0.6250000), wk = 0.0015625 k( 479) = ( -0.3750000 -0.2500000 0.7250000), wk = 0.0015625 k( 480) = ( -0.3750000 -0.2500000 0.8250000), wk = 0.0015625 k( 481) = ( -0.3750000 -0.2500000 0.9250000), wk = 0.0015625 k( 482) = ( -0.3750000 -0.2500000 1.0250000), wk = 0.0015625 k( 483) = ( -0.3750000 -0.2500000 0.1250000), wk = 0.0015625 k( 484) = ( -0.3750000 -0.2500000 0.2250000), wk = 0.0015625 k( 485) = ( -0.3750000 -0.2500000 0.3250000), wk = 0.0015625 k( 486) = ( -0.3750000 -0.2500000 0.4250000), wk = 0.0015625 k( 487) = ( -0.3750000 -0.2500000 0.5250000), wk = 0.0015625 k( 488) = ( -0.3750000 -0.3750000 0.7500000), wk = 0.0015625 k( 489) = ( -0.3750000 -0.3750000 0.8500000), wk = 0.0015625 k( 490) = ( -0.3750000 -0.3750000 0.9500000), wk = 0.0015625 k( 491) = ( -0.3750000 -0.3750000 1.0500000), wk = 0.0015625 k( 492) = ( -0.3750000 -0.3750000 1.1500000), wk = 0.0015625 k( 493) = ( -0.3750000 -0.3750000 0.2500000), wk = 0.0015625 k( 494) = ( -0.3750000 -0.3750000 0.3500000), wk = 0.0015625 k( 495) = ( -0.3750000 -0.3750000 0.4500000), wk = 0.0015625 k( 496) = ( -0.3750000 -0.3750000 0.5500000), wk = 0.0015625 k( 497) = ( -0.3750000 -0.3750000 0.6500000), wk = 0.0015625 k( 498) = ( -0.3750000 0.5000000 -0.1250000), wk = 0.0015625 k( 499) = ( -0.3750000 0.5000000 -0.0250000), wk = 0.0015625 k( 500) = ( -0.3750000 0.5000000 0.0750000), wk = 0.0015625 k( 501) = ( -0.3750000 0.5000000 0.1750000), wk = 0.0015625 k( 502) = ( -0.3750000 0.5000000 0.2750000), wk = 0.0015625 k( 503) = ( -0.3750000 0.5000000 -0.6250000), wk = 0.0015625 k( 504) = ( -0.3750000 0.5000000 -0.5250000), wk = 0.0015625 k( 505) = ( -0.3750000 0.5000000 -0.4250000), wk = 0.0015625 k( 506) = ( -0.3750000 0.5000000 -0.3250000), wk = 0.0015625 k( 507) = ( -0.3750000 0.5000000 -0.2250000), wk = 0.0015625 k( 508) = ( -0.3750000 0.3750000 0.1000000), wk = 0.0031250 k( 509) = ( -0.3750000 0.3750000 0.2000000), wk = 0.0031250 k( 510) = ( -0.3750000 0.3750000 0.3000000), wk = 0.0031250 k( 511) = ( -0.3750000 0.3750000 0.4000000), wk = 0.0031250 k( 512) = ( -0.3750000 0.2500000 0.1250000), wk = 0.0015625 k( 513) = ( -0.3750000 0.2500000 0.2250000), wk = 0.0015625 k( 514) = ( -0.3750000 0.2500000 0.3250000), wk = 0.0015625 k( 515) = ( -0.3750000 0.2500000 0.4250000), wk = 0.0015625 k( 516) = ( -0.3750000 0.2500000 0.5250000), wk = 0.0015625 k( 517) = ( -0.3750000 0.2500000 -0.3750000), wk = 0.0015625 k( 518) = ( -0.3750000 0.2500000 -0.2750000), wk = 0.0015625 k( 519) = ( -0.3750000 0.2500000 -0.1750000), wk = 0.0015625 k( 520) = ( -0.3750000 0.2500000 -0.0750000), wk = 0.0015625 k( 521) = ( -0.3750000 0.2500000 0.0250000), wk = 0.0015625 k( 522) = ( -0.3750000 0.1250000 0.2500000), wk = 0.0015625 k( 523) = ( -0.3750000 0.1250000 0.3500000), wk = 0.0015625 k( 524) = ( -0.3750000 0.1250000 0.4500000), wk = 0.0015625 k( 525) = ( -0.3750000 0.1250000 0.5500000), wk = 0.0015625 k( 526) = ( -0.3750000 0.1250000 0.6500000), wk = 0.0015625 k( 527) = ( -0.3750000 0.1250000 -0.2500000), wk = 0.0015625 k( 528) = ( -0.3750000 0.1250000 -0.1500000), wk = 0.0015625 k( 529) = ( -0.3750000 0.1250000 -0.0500000), wk = 0.0015625 k( 530) = ( -0.3750000 0.1250000 0.0500000), wk = 0.0015625 k( 531) = ( -0.3750000 0.1250000 0.1500000), wk = 0.0015625 k( 532) = ( 0.5000000 0.0000000 -0.5000000), wk = 0.0015625 k( 533) = ( 0.5000000 0.0000000 -0.4000000), wk = 0.0031250 k( 534) = ( 0.5000000 0.0000000 -0.3000000), wk = 0.0031250 k( 535) = ( 0.5000000 -0.1250000 -0.3750000), wk = 0.0015625 k( 536) = ( 0.5000000 -0.1250000 -0.2750000), wk = 0.0015625 k( 537) = ( 0.5000000 -0.1250000 -0.1750000), wk = 0.0015625 k( 538) = ( 0.5000000 -0.1250000 -0.0750000), wk = 0.0015625 k( 539) = ( 0.5000000 -0.1250000 0.0250000), wk = 0.0015625 k( 540) = ( 0.5000000 -0.1250000 -0.8750000), wk = 0.0015625 k( 541) = ( 0.5000000 -0.1250000 -0.7750000), wk = 0.0015625 k( 542) = ( 0.5000000 -0.1250000 -0.6750000), wk = 0.0015625 k( 543) = ( 0.5000000 -0.1250000 -0.5750000), wk = 0.0015625 k( 544) = ( 0.5000000 -0.1250000 -0.4750000), wk = 0.0015625 k( 545) = ( 0.5000000 -0.2500000 -0.2500000), wk = 0.0015625 k( 546) = ( 0.5000000 -0.2500000 -0.1500000), wk = 0.0015625 k( 547) = ( 0.5000000 -0.2500000 -0.0500000), wk = 0.0015625 k( 548) = ( 0.5000000 -0.2500000 0.0500000), wk = 0.0015625 k( 549) = ( 0.5000000 -0.2500000 0.1500000), wk = 0.0015625 k( 550) = ( 0.5000000 -0.2500000 -0.7500000), wk = 0.0015625 k( 551) = ( 0.5000000 -0.2500000 -0.6500000), wk = 0.0015625 k( 552) = ( 0.5000000 -0.2500000 -0.5500000), wk = 0.0015625 k( 553) = ( 0.5000000 -0.2500000 -0.4500000), wk = 0.0015625 k( 554) = ( 0.5000000 -0.2500000 -0.3500000), wk = 0.0015625 k( 555) = ( 0.5000000 -0.3750000 -0.1250000), wk = 0.0015625 k( 556) = ( 0.5000000 -0.3750000 -0.0250000), wk = 0.0015625 k( 557) = ( 0.5000000 -0.3750000 0.0750000), wk = 0.0015625 k( 558) = ( 0.5000000 -0.3750000 0.1750000), wk = 0.0015625 k( 559) = ( 0.5000000 -0.3750000 0.2750000), wk = 0.0015625 k( 560) = ( 0.5000000 -0.3750000 -0.6250000), wk = 0.0015625 k( 561) = ( 0.5000000 -0.3750000 -0.5250000), wk = 0.0015625 k( 562) = ( 0.5000000 -0.3750000 -0.4250000), wk = 0.0015625 k( 563) = ( 0.5000000 -0.3750000 -0.3250000), wk = 0.0015625 k( 564) = ( 0.5000000 -0.3750000 -0.2250000), wk = 0.0015625 Dense grid: 25769 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 11237 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 94, 40) NL pseudopotentials 0.06 Mb ( 47, 84) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 805) G-vector shells 0.00 Mb ( 379) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.23 Mb ( 94, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.10 Mb ( 84, 2, 40) Arrays for rho mixing 0.49 Mb ( 4050, 8) Check: negative/imaginary core charge= -0.000011 0.000000 Initial potential from superposition of free atoms starting charge 31.99991, renormalised to 32.00000 Starting wfc are 48 randomized atomic wfcs total cpu time spent up to now is 19.0 secs per-process dynamical memory: 56.6 Mb Self-consistent Calculation iteration # 1 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 3.0 total cpu time spent up to now is 75.9 secs total energy = -154.11297930 Ry Harris-Foulkes estimate = -154.39731269 Ry estimated scf accuracy < 0.75371878 Ry iteration # 2 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.36E-03, avg # of iterations = 1.3 total cpu time spent up to now is 111.5 secs total energy = -154.09711132 Ry Harris-Foulkes estimate = -154.16876001 Ry estimated scf accuracy < 0.15910460 Ry iteration # 3 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.97E-04, avg # of iterations = 4.1 total cpu time spent up to now is 182.4 secs total energy = -154.18180653 Ry Harris-Foulkes estimate = -154.22606070 Ry estimated scf accuracy < 0.10543048 Ry iteration # 4 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.29E-04, avg # of iterations = 1.0 total cpu time spent up to now is 217.5 secs total energy = -154.18271286 Ry Harris-Foulkes estimate = -154.19127926 Ry estimated scf accuracy < 0.02179876 Ry iteration # 5 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 6.81E-05, avg # of iterations = 3.2 total cpu time spent up to now is 281.5 secs total energy = -154.18544498 Ry Harris-Foulkes estimate = -154.21233473 Ry estimated scf accuracy < 0.04721186 Ry iteration # 6 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 6.81E-05, avg # of iterations = 3.2 total cpu time spent up to now is 337.4 secs total energy = -154.19784169 Ry Harris-Foulkes estimate = -154.19847000 Ry estimated scf accuracy < 0.00204447 Ry iteration # 7 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 6.39E-06, avg # of iterations = 3.0 total cpu time spent up to now is 380.8 secs total energy = -154.19798210 Ry Harris-Foulkes estimate = -154.19812868 Ry estimated scf accuracy < 0.00068763 Ry iteration # 8 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.15E-06, avg # of iterations = 3.1 total cpu time spent up to now is 430.2 secs total energy = -154.19810057 Ry Harris-Foulkes estimate = -154.19810406 Ry estimated scf accuracy < 0.00009777 Ry iteration # 9 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.06E-07, avg # of iterations = 1.1 total cpu time spent up to now is 468.6 secs total energy = -154.19806475 Ry Harris-Foulkes estimate = -154.19810226 Ry estimated scf accuracy < 0.00008803 Ry iteration # 10 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.75E-07, avg # of iterations = 1.3 total cpu time spent up to now is 504.4 secs total energy = -154.19807177 Ry Harris-Foulkes estimate = -154.19807314 Ry estimated scf accuracy < 0.00001185 Ry iteration # 11 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 3.70E-08, avg # of iterations = 3.9 total cpu time spent up to now is 567.5 secs total energy = -154.19808022 Ry Harris-Foulkes estimate = -154.19808027 Ry estimated scf accuracy < 0.00000018 Ry iteration # 12 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.78E-10, avg # of iterations = 4.1 total cpu time spent up to now is 624.0 secs total energy = -154.19808025 Ry Harris-Foulkes estimate = -154.19808030 Ry estimated scf accuracy < 0.00000016 Ry iteration # 13 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.95E-10, avg # of iterations = 3.0 total cpu time spent up to now is 686.5 secs total energy = -154.19808279 Ry Harris-Foulkes estimate = -154.19808043 Ry estimated scf accuracy < 0.00000064 Ry iteration # 14 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.95E-10, avg # of iterations = 4.0 total cpu time spent up to now is 765.8 secs total energy = -154.19808955 Ry Harris-Foulkes estimate = -154.19809179 Ry estimated scf accuracy < 0.00003802 Ry iteration # 15 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.95E-10, avg # of iterations = 4.5 total cpu time spent up to now is 813.8 secs total energy = -154.19808610 Ry Harris-Foulkes estimate = -154.19808961 Ry estimated scf accuracy < 0.00003163 Ry iteration # 16 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.95E-10, avg # of iterations = 3.7 total cpu time spent up to now is 881.3 secs total energy = -154.19807843 Ry Harris-Foulkes estimate = -154.19808638 Ry estimated scf accuracy < 0.00002016 Ry iteration # 17 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.95E-10, avg # of iterations = 4.0 total cpu time spent up to now is 954.2 secs total energy = -154.19808011 Ry Harris-Foulkes estimate = -154.19808062 Ry estimated scf accuracy < 0.00000122 Ry iteration # 18 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.95E-10, avg # of iterations = 3.0 total cpu time spent up to now is 1016.0 secs total energy = -154.19808023 Ry Harris-Foulkes estimate = -154.19808026 Ry estimated scf accuracy < 0.00000004 Ry iteration # 19 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.31E-10, avg # of iterations = 3.3 total cpu time spent up to now is 1083.9 secs total energy = -154.19808023 Ry Harris-Foulkes estimate = -154.19808028 Ry estimated scf accuracy < 0.00000011 Ry iteration # 20 ecut= 47.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.31E-10, avg # of iterations = 4.1 total cpu time spent up to now is 1137.9 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 1405 PWs) bands (ev): -16.8552 -16.8552 -11.0065 -11.0065 -11.0060 -11.0060 -10.2362 -10.2362 -5.7655 -5.7655 -1.5815 -1.5815 -1.5798 -1.5798 -0.1696 -0.1696 2.7846 2.7846 2.8506 2.8506 4.8552 4.8552 6.0015 6.0015 6.0122 6.0122 7.8710 7.8710 7.8984 7.8984 8.2706 8.2706 15.3895 15.3895 18.3999 18.3999 18.4090 18.4090 18.4182 18.4182 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.1535 ( 1405 PWs) bands (ev): -16.7346 -16.7346 -11.2411 -11.2407 -11.0695 -11.0694 -10.3009 -10.3007 -5.5883 -5.5879 -1.8421 -1.8413 -1.4606 -1.4596 0.0494 0.0515 2.7031 2.7064 3.0873 3.0893 5.0401 5.0427 6.0429 6.0476 6.1068 6.1076 7.4927 7.5017 7.8266 7.8279 8.0605 8.0698 15.6882 15.6898 18.3911 18.3913 18.4135 18.4171 18.6098 18.6110 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3069 ( 1391 PWs) bands (ev): -16.3808 -16.3807 -11.8116 -11.8111 -11.2222 -11.2220 -10.5245 -10.5243 -5.1437 -5.1429 -2.3580 -2.3571 -1.1097 -1.1074 0.4936 0.4962 2.3187 2.3248 3.8207 3.8236 5.5325 5.5366 5.8951 5.9015 6.2543 6.2612 7.0780 7.0800 7.5361 7.5449 7.6887 7.6901 16.3299 16.3333 18.3732 18.3757 18.5514 18.5594 18.8295 18.8338 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.4604 ( 1392 PWs) bands (ev): -15.8183 -15.8181 -12.5533 -12.5528 -11.3796 -11.3794 -10.8592 -10.8590 -4.5937 -4.5926 -2.8649 -2.8638 -0.6049 -0.6012 0.8620 0.8636 2.0048 2.0133 4.4290 4.4319 5.0539 5.0573 6.0164 6.0170 6.6341 6.6353 6.9638 6.9758 7.5244 7.5282 7.6403 7.6457 16.9051 16.9086 18.2942 18.2986 18.8216 18.8287 18.9019 18.9123 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.6139 ( 1382 PWs) bands (ev): -15.0893 -15.0890 -13.3863 -13.3859 -11.4566 -11.4564 -11.1836 -11.1834 -4.0739 -4.0726 -3.2842 -3.2829 -0.0884 -0.0842 0.8433 0.8440 2.1610 2.1713 3.7039 3.7159 5.1507 5.1561 5.8825 5.8850 7.0745 7.0833 7.1679 7.1703 7.8412 7.8484 7.9033 7.9056 17.3739 17.3757 18.1539 18.1589 18.6349 18.6399 18.8906 18.9001 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000-0.7673 ( 1398 PWs) bands (ev): -14.2545 -14.2545 -14.2542 -14.2542 -11.3963 -11.3963 -11.3961 -11.3961 -3.6536 -3.6536 -3.6522 -3.6522 0.4203 0.4203 0.4232 0.4232 2.8225 2.8225 2.8338 2.8338 5.4571 5.4571 5.4611 5.4611 7.3711 7.3711 7.3746 7.3746 8.0080 8.0080 8.0098 8.0098 17.8533 17.8533 17.8543 17.8543 18.5428 18.5428 18.5467 18.5467 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1264 0.0959 ( 1398 PWs) bands (ev): -16.7228 -16.7228 -11.2447 -11.2443 -11.0627 -11.0624 -10.3929 -10.3926 -5.4961 -5.4958 -1.6246 -1.6231 -1.5537 -1.5519 -0.0612 -0.0589 2.7736 2.7763 3.0975 3.0990 4.9612 4.9637 5.9127 5.9143 6.2193 6.2223 7.4437 7.4478 7.7928 7.8059 8.1198 8.1336 15.7533 15.7547 18.2779 18.2835 18.3679 18.3720 18.6752 18.6762 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1264 0.2494 ( 1397 PWs) bands (ev): -16.4601 -16.4600 -11.7269 -11.7264 -11.1872 -11.1868 -10.4832 -10.4828 -5.1869 -5.1863 -2.0308 -2.0298 -1.2891 -1.2874 0.2967 0.2998 2.5487 2.5536 3.6241 3.6269 5.3112 5.3148 5.8008 5.8052 6.2491 6.2542 7.0407 7.0463 7.6461 7.6681 7.8495 7.8729 16.2865 16.2896 18.2208 18.2259 18.4475 18.4509 18.8761 18.8793 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1264 0.4029 ( 1399 PWs) bands (ev): -15.9839 -15.9837 -12.3890 -12.3885 -11.3584 -11.3581 -10.7393 -10.7390 -4.7082 -4.7074 -2.5275 -2.5265 -0.8292 -0.8263 0.6727 0.6750 2.2437 2.2510 4.2365 4.2382 5.1767 5.1822 5.8017 5.8038 6.3289 6.3303 7.1207 7.1307 7.4388 7.4453 7.7394 7.7459 16.8288 16.8327 18.2554 18.2603 18.6715 18.6782 18.8677 18.8760 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1264 0.5563 ( 1395 PWs) bands (ev): -15.3331 -15.3328 -13.1395 -13.1390 -11.4782 -11.4779 -11.0694 -11.0691 -4.1803 -4.1792 -2.9626 -2.9614 -0.3554 -0.3516 0.7795 0.7799 2.2260 2.2352 3.8595 3.8688 5.1510 5.1541 5.8589 5.8624 6.8350 6.8407 7.0104 7.0180 7.7888 7.7960 7.8570 7.8609 17.2375 17.2397 18.2031 18.2087 18.6322 18.6400 18.8861 18.8950 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1264 0.7098 ( 1398 PWs) bands (ev): -14.5729 -14.5726 -13.9350 -13.9346 -11.4817 -11.4815 -11.3295 -11.3293 -3.7357 -3.7348 -3.3123 -3.3113 0.0899 0.0930 0.4606 0.4627 2.6453 2.6551 3.2046 3.2148 5.2446 5.2481 5.5674 5.5717 7.2569 7.2622 7.3778 7.3809 7.9242 7.9264 7.9995 8.0031 17.6855 17.6865 18.0253 18.0290 18.3569 18.3605 18.6319 18.6351 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1264-0.6714 ( 1395 PWs) bands (ev): -14.7673 -14.7670 -13.7360 -13.7357 -11.4920 -11.4918 -11.2793 -11.2791 -3.8286 -3.8275 -3.2357 -3.2346 -0.0245 -0.0210 0.5701 0.5718 2.5106 2.5206 3.3632 3.3742 5.2151 5.2194 5.6426 5.6469 7.1639 7.1704 7.3162 7.3204 7.9193 7.9226 7.9700 7.9751 17.5673 17.5683 18.0922 18.0973 18.4115 18.4170 18.6983 18.7031 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1264-0.5180 ( 1400 PWs) bands (ev): -15.5092 -15.5090 -12.9458 -12.9453 -11.4576 -11.4573 -10.9878 -10.9875 -4.3102 -4.3091 -2.8617 -2.8605 -0.4683 -0.4646 0.7928 0.7936 2.1881 2.1970 4.0258 4.0335 5.1146 5.1165 5.8973 5.9003 6.7103 6.7146 6.9575 6.9655 7.7103 7.7175 7.8168 7.8212 17.1370 17.1398 18.2267 18.2321 18.6873 18.6954 18.8970 18.9070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1264-0.3645 ( 1400 PWs) bands (ev): -16.1212 -16.1210 -12.2132 -12.2127 -11.3169 -11.3165 -10.6630 -10.6627 -4.8372 -4.8364 -2.4067 -2.4056 -0.9520 -0.9494 0.5924 0.5951 2.3072 2.3140 4.1250 4.1277 5.3460 5.3522 5.6962 5.6995 6.2454 6.2477 7.1830 7.1923 7.3964 7.4025 7.7407 7.7496 16.7106 16.7146 18.2501 18.2549 18.6021 18.6079 18.8834 18.8898 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1264-0.2110 ( 1396 PWs) bands (ev): -16.5469 -16.5468 -11.5835 -11.5830 -11.1476 -11.1473 -10.4445 -10.4441 -5.2847 -5.2842 -1.9084 -1.9074 -1.3821 -1.3806 0.1950 0.1980 2.6237 2.6279 3.4619 3.4645 5.1992 5.2029 5.8339 5.8375 6.3101 6.3142 7.0653 7.0704 7.7037 7.7247 7.9293 7.9518 16.1343 16.1370 18.2223 18.2274 18.4191 18.4222 18.8433 18.8457 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1264-0.0576 ( 1399 PWs) bands (ev): -16.7525 -16.7524 -11.1751 -11.1747 -11.0507 -11.0504 -10.3908 -10.3906 -5.5336 -5.5333 -1.6286 -1.6277 -1.5185 -1.5175 -0.1144 -0.1125 2.7970 2.7992 3.0309 3.0323 4.9199 4.9220 5.9601 5.9617 6.1510 6.1537 7.5526 7.5577 7.8098 7.8197 8.1440 8.1545 15.6784 15.6795 18.3033 18.3092 18.3582 18.3631 18.6227 18.6233 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2529 0.1918 ( 1404 PWs) bands (ev): -16.3467 -16.3466 -11.9819 -11.9814 -11.1603 -11.1599 -10.6143 -10.6139 -4.9638 -4.9632 -1.6831 -1.6822 -1.3246 -1.3222 0.1492 0.1529 2.7703 2.7740 3.6948 3.6980 5.1750 5.1793 5.5918 5.5950 5.9580 5.9622 7.0293 7.0397 7.6859 7.7054 7.9785 8.0015 16.6185 16.6225 17.9961 18.0031 18.2677 18.2711 19.0203 19.0235 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2529 0.3453 ( 1403 PWs) bands (ev): -15.9817 -15.9816 -12.5376 -12.5372 -11.2944 -11.2940 -10.7041 -10.7037 -4.6903 -4.6897 -1.9616 -1.9605 -0.9909 -0.9886 0.4097 0.4132 2.6707 2.6763 4.0580 4.0617 4.9425 4.9471 5.4408 5.4454 6.0051 6.0127 7.2173 7.2325 7.4677 7.4729 7.9763 7.9879 16.9793 16.9844 18.0636 18.0713 18.5139 18.5172 18.9488 18.9523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2529 0.4988 ( 1401 PWs) bands (ev): -15.4614 -15.4612 -13.1122 -13.1119 -11.4588 -11.4585 -10.9455 -10.9452 -4.2837 -4.2830 -2.3273 -2.3261 -0.5742 -0.5713 0.5292 0.5306 2.5809 2.5889 3.7234 3.7284 5.0553 5.0589 5.4882 5.4934 6.6174 6.6233 6.8874 6.8930 7.7492 7.7603 8.0081 8.0146 17.1643 17.1668 18.1615 18.1674 18.6141 18.6192 18.8539 18.8601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2529 0.6522 ( 1401 PWs) bands (ev): -14.8847 -14.8845 -13.6589 -13.6586 -11.5626 -11.5624 -11.2008 -11.2006 -3.8649 -3.8643 -2.6258 -2.6249 -0.2705 -0.2675 0.3321 0.3339 2.6337 2.6411 3.4973 3.5044 4.9742 4.9769 5.5733 5.5776 6.9302 6.9363 7.2717 7.2801 7.8972 7.9000 7.9962 8.0040 17.4592 17.4596 18.0523 18.0573 18.2826 18.2873 18.7447 18.7463 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2529 0.8057 ( 1407 PWs) bands (ev): -14.6682 -14.6680 -13.8617 -13.8615 -11.5805 -11.5804 -11.2692 -11.2690 -3.7406 -3.7403 -2.7103 -2.7099 -0.1471 -0.1449 0.1797 0.1821 2.6931 2.6996 3.4758 3.4818 4.8794 4.8815 5.5714 5.5761 7.1651 7.1702 7.3315 7.3366 7.8363 7.8410 8.0411 8.0450 17.6308 17.6319 18.0015 18.0067 18.1023 18.1070 18.6527 18.6537 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2529-0.5755 ( 1400 PWs) bands (ev): -15.1695 -15.1693 -13.3931 -13.3928 -11.5219 -11.5216 -11.0840 -11.0838 -4.0620 -4.0613 -2.4902 -2.4891 -0.4108 -0.4076 0.4697 0.4707 2.5855 2.5936 3.5599 3.5667 5.0834 5.0870 5.5395 5.5438 6.7465 6.7534 7.0543 7.0650 7.8842 7.8954 7.9798 7.9858 17.2906 17.2918 18.1251 18.1304 18.4614 18.4660 18.8423 18.8458 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2529-0.4220 ( 1397 PWs) bands (ev): -15.7367 -15.7365 -12.8260 -12.8256 -11.3795 -11.3791 -10.8115 -10.8111 -4.4993 -4.4986 -2.1479 -2.1467 -0.7716 -0.7690 0.5024 0.5050 2.6122 2.6192 3.9713 3.9734 4.8986 4.9012 5.4652 5.4702 6.3179 6.3269 7.0226 7.0314 7.5912 7.6006 8.0015 8.0097 17.0725 17.0764 18.1356 18.1424 18.6571 18.6612 18.8485 18.8548 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2529-0.2686 ( 1399 PWs) bands (ev): -16.1873 -16.1871 -12.2526 -12.2521 -11.2163 -11.2158 -10.6376 -10.6371 -4.8467 -4.8461 -1.7876 -1.7867 -1.1986 -1.1963 0.2814 0.2853 2.7331 2.7375 3.8932 3.8972 5.2071 5.2132 5.4545 5.4610 5.8106 5.8147 7.1674 7.1804 7.5682 7.5808 7.9575 7.9757 16.8320 16.8370 17.9979 18.0057 18.3690 18.3723 19.0234 19.0263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2529-0.1151 ( 1402 PWs) bands (ev): -16.4554 -16.4553 -11.7467 -11.7462 -11.1411 -11.1408 -10.6218 -10.6214 -5.0407 -5.0402 -1.7161 -1.7152 -1.2960 -1.2942 0.0394 0.0425 2.7783 2.7817 3.5434 3.5459 5.0299 5.0337 5.7479 5.7514 6.1850 6.1885 6.9703 6.9779 7.7143 7.7289 8.0337 8.0505 16.4048 16.4076 18.0506 18.0566 18.2017 18.2055 18.9414 18.9446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2529 0.0384 ( 1401 PWs) bands (ev): -16.5105 -16.5104 -11.5909 -11.5904 -11.1556 -11.1554 -10.6355 -10.6351 -5.0785 -5.0780 -1.7725 -1.7715 -1.2352 -1.2340 -0.0247 -0.0223 2.7751 2.7784 3.4619 3.4643 4.9402 4.9431 5.9113 5.9143 6.2000 6.2041 7.0262 7.0298 7.7057 7.7112 8.0675 8.0749 16.2734 16.2757 18.1086 18.1128 18.1640 18.1689 18.8625 18.8651 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3793 0.2878 ( 1398 PWs) bands (ev): -15.8224 -15.8222 -12.8683 -12.8680 -11.2134 -11.2131 -10.7987 -10.7983 -4.5793 -4.5787 -1.6195 -1.6190 -0.8187 -0.8158 0.2083 0.2123 3.0793 3.0834 4.0589 4.0650 4.3886 4.3937 5.0880 5.0892 5.9227 5.9313 7.2506 7.2672 7.5942 7.5998 8.0988 8.1122 17.2023 17.2079 17.9631 17.9705 18.3663 18.3675 19.0563 19.0582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3793 0.4412 ( 1402 PWs) bands (ev): -15.4990 -15.4989 -13.2494 -13.2492 -11.3184 -11.3180 -10.8814 -10.8811 -4.4087 -4.4084 -1.7436 -1.7427 -0.5368 -0.5343 0.2486 0.2513 3.0698 3.0763 3.6476 3.6521 4.6341 4.6393 4.8997 4.9051 6.5837 6.5928 6.7944 6.7996 7.8042 7.8160 8.1047 8.1136 17.1610 17.1633 18.1788 18.1837 18.6254 18.6280 18.8541 18.8557 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3793 0.5947 ( 1401 PWs) bands (ev): -15.2122 -15.2120 -13.4373 -13.4371 -11.4813 -11.4811 -11.0507 -11.0505 -4.1042 -4.1038 -1.9916 -1.9907 -0.3831 -0.3805 0.1968 0.1984 2.7929 2.7972 3.5495 3.5567 4.7486 4.7537 5.2851 5.2870 6.5257 6.5346 7.1944 7.2070 7.9367 7.9439 8.0073 8.0204 17.2407 17.2413 18.0537 18.0572 18.3011 18.3034 18.8588 18.8614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3793 0.7482 ( 1402 PWs) bands (ev): -15.0900 -15.0899 -13.4620 -13.4617 -11.5945 -11.5944 -11.1463 -11.1461 -3.8846 -3.8842 -2.1606 -2.1601 -0.4237 -0.4221 0.1820 0.1833 2.7171 2.7218 3.5972 3.6055 4.6401 4.6447 5.4549 5.4580 6.8990 6.9034 7.2110 7.2140 7.8487 7.8554 8.0792 8.0825 17.3616 17.3619 17.9413 17.9430 18.0484 18.0499 18.6820 18.6832 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3793 0.9016 ( 1399 PWs) bands (ev): -15.1634 -15.1633 -13.4528 -13.4526 -11.5210 -11.5208 -11.0872 -11.0870 -4.0274 -4.0270 -2.0509 -2.0501 -0.3872 -0.3848 0.1881 0.1896 2.7521 2.7564 3.5663 3.5739 4.7212 4.7265 5.3582 5.3596 6.5933 6.6014 7.2632 7.2744 7.8913 7.8991 8.0362 8.0487 17.2788 17.2796 17.9964 17.9999 18.2270 18.2297 18.8096 18.8121 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3793-0.4796 ( 1405 PWs) bands (ev): -15.4177 -15.4176 -13.3169 -13.3167 -11.3565 -11.3561 -10.9211 -10.9208 -4.3408 -4.3404 -1.8016 -1.8006 -0.4743 -0.4718 0.2405 0.2427 3.0087 3.0148 3.5702 3.5755 4.7175 4.7222 4.9646 4.9694 6.6079 6.6157 6.8222 6.8319 7.8632 7.8756 8.0775 8.0857 17.1662 17.1679 18.1814 18.1856 18.5562 18.5576 18.8764 18.8783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3793-0.3261 ( 1398 PWs) bands (ev): -15.7463 -15.7462 -12.9766 -12.9763 -11.2301 -11.2297 -10.8065 -10.8062 -4.5527 -4.5523 -1.6265 -1.6259 -0.7558 -0.7529 0.2255 0.2294 3.1010 3.1054 4.0597 4.0628 4.3224 4.3248 4.9870 4.9893 6.0817 6.0911 7.1566 7.1701 7.6274 7.6350 8.1162 8.1281 17.1905 17.1952 18.0378 18.0444 18.4666 18.4686 19.0048 19.0063 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3793-0.1727 ( 1401 PWs) bands (ev): -16.0079 -16.0078 -12.5288 -12.5284 -11.2227 -11.2224 -10.8085 -10.8082 -4.6043 -4.6037 -1.7210 -1.7201 -0.9131 -0.9107 0.1675 0.1709 2.9812 2.9854 3.8468 3.8510 4.7985 4.8016 5.2622 5.2680 5.8448 5.8499 7.2221 7.2361 7.6962 7.7086 8.0216 8.0406 17.1380 17.1443 17.8115 17.8193 18.1100 18.1124 19.0465 19.0498 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3793-0.0192 ( 1406 PWs) bands (ev): -16.1191 -16.1189 -12.2254 -12.2249 -11.3213 -11.3212 -10.8242 -10.8239 -4.5848 -4.5842 -1.8899 -1.8890 -0.9141 -0.9128 0.1588 0.1609 2.8952 2.8994 3.7226 3.7252 4.9037 4.9053 5.2411 5.2441 6.3565 6.3580 7.0526 7.0552 7.6798 7.6840 8.0437 8.0478 16.9387 16.9426 17.8870 17.8900 17.9239 17.9294 18.8809 18.8839 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3793 0.1343 ( 1400 PWs) bands (ev): -16.0517 -16.0516 -12.4239 -12.4234 -11.2466 -11.2463 -10.8148 -10.8144 -4.6003 -4.5997 -1.7772 -1.7763 -0.9182 -0.9161 0.1617 0.1647 2.9496 2.9538 3.7960 3.7997 4.8886 4.8907 5.2157 5.2210 5.9980 6.0014 7.1689 7.1810 7.7190 7.7317 8.0120 8.0299 17.0772 17.0826 17.8136 17.8204 18.0476 18.0505 18.9985 19.0019 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5058-0.3837 ( 1396 PWs) bands (ev): -15.5006 -15.5006 -13.3311 -13.3311 -11.2185 -11.2185 -10.8840 -10.8840 -4.4630 -4.4630 -1.5633 -1.5633 -0.3584 -0.3584 0.0653 0.0653 3.5733 3.5733 3.5808 3.5808 4.2295 4.2295 4.5848 4.5848 6.5668 6.5668 6.7820 6.7820 7.8955 7.8955 8.0846 8.0846 17.1940 17.1940 18.2253 18.2253 18.5652 18.5652 18.9118 18.9118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5058-0.2302 ( 1397 PWs) bands (ev): -15.5446 -15.5445 -13.1910 -13.1907 -11.2890 -11.2889 -10.9285 -10.9284 -4.3741 -4.3737 -1.6826 -1.6818 -0.4731 -0.4711 0.1356 0.1372 3.2885 3.2946 3.4981 3.5047 4.4746 4.4790 4.9939 4.9995 6.1461 6.1551 7.2286 7.2429 7.8110 7.8188 8.0703 8.0840 17.2367 17.2385 18.0173 18.0210 18.2795 18.2826 19.0043 19.0072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.5058-0.0767 ( 1404 PWs) bands (ev): -15.6095 -15.6093 -12.9364 -12.9361 -11.4540 -11.4538 -10.9838 -10.9835 -4.2042 -4.2036 -1.9161 -1.9152 -0.6323 -0.6307 0.2597 0.2608 3.1686 3.1737 3.2883 3.2947 4.7810 4.7845 5.1594 5.1628 6.4176 6.4227 7.2490 7.2575 7.7853 7.7935 8.0584 8.0685 17.2465 17.2485 17.8161 17.8200 17.9966 18.0006 18.8295 18.8321 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.0191 0.0959 ( 1398 PWs) bands (ev): -16.7228 -16.7228 -11.2447 -11.2443 -11.0627 -11.0624 -10.3929 -10.3926 -5.4961 -5.4958 -1.6246 -1.6231 -1.5537 -1.5519 -0.0612 -0.0589 2.7736 2.7763 3.0975 3.0990 4.9612 4.9637 5.9127 5.9143 6.2193 6.2223 7.4437 7.4478 7.7928 7.8059 8.1198 8.1336 15.7533 15.7547 18.2779 18.2835 18.3679 18.3720 18.6752 18.6762 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.0191 0.2494 ( 1397 PWs) bands (ev): -16.4601 -16.4600 -11.7269 -11.7264 -11.1872 -11.1868 -10.4832 -10.4828 -5.1869 -5.1863 -2.0308 -2.0298 -1.2891 -1.2874 0.2967 0.2998 2.5487 2.5536 3.6241 3.6269 5.3112 5.3148 5.8008 5.8052 6.2491 6.2542 7.0407 7.0463 7.6461 7.6681 7.8495 7.8729 16.2865 16.2896 18.2208 18.2259 18.4475 18.4509 18.8761 18.8793 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.0191 0.4029 ( 1399 PWs) bands (ev): -15.9839 -15.9837 -12.3890 -12.3885 -11.3584 -11.3581 -10.7393 -10.7390 -4.7082 -4.7074 -2.5275 -2.5265 -0.8292 -0.8263 0.6727 0.6750 2.2437 2.2510 4.2365 4.2382 5.1767 5.1822 5.8017 5.8038 6.3289 6.3303 7.1207 7.1307 7.4388 7.4453 7.7394 7.7459 16.8288 16.8327 18.2554 18.2603 18.6715 18.6781 18.8677 18.8760 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.0191 0.5563 ( 1395 PWs) bands (ev): -15.3331 -15.3328 -13.1395 -13.1390 -11.4782 -11.4779 -11.0694 -11.0691 -4.1803 -4.1792 -2.9626 -2.9614 -0.3554 -0.3516 0.7795 0.7799 2.2260 2.2352 3.8595 3.8688 5.1510 5.1541 5.8589 5.8624 6.8350 6.8407 7.0104 7.0180 7.7888 7.7960 7.8570 7.8609 17.2375 17.2397 18.2031 18.2087 18.6322 18.6400 18.8861 18.8950 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.0191 0.7098 ( 1398 PWs) bands (ev): -14.5729 -14.5726 -13.9350 -13.9346 -11.4817 -11.4815 -11.3295 -11.3293 -3.7357 -3.7348 -3.3123 -3.3113 0.0899 0.0930 0.4606 0.4627 2.6453 2.6551 3.2046 3.2148 5.2446 5.2481 5.5674 5.5717 7.2569 7.2622 7.3778 7.3809 7.9242 7.9264 7.9995 8.0031 17.6855 17.6865 18.0253 18.0290 18.3569 18.3605 18.6319 18.6351 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.0191-0.6714 ( 1395 PWs) bands (ev): -14.7673 -14.7670 -13.7360 -13.7357 -11.4920 -11.4918 -11.2793 -11.2791 -3.8286 -3.8275 -3.2357 -3.2346 -0.0245 -0.0210 0.5701 0.5718 2.5106 2.5206 3.3632 3.3742 5.2151 5.2194 5.6426 5.6469 7.1639 7.1704 7.3162 7.3204 7.9193 7.9226 7.9700 7.9751 17.5673 17.5683 18.0922 18.0973 18.4115 18.4170 18.6983 18.7031 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.0191-0.5180 ( 1400 PWs) bands (ev): -15.5092 -15.5090 -12.9458 -12.9453 -11.4576 -11.4573 -10.9878 -10.9875 -4.3102 -4.3091 -2.8617 -2.8605 -0.4683 -0.4646 0.7928 0.7936 2.1881 2.1970 4.0258 4.0335 5.1146 5.1165 5.8973 5.9003 6.7103 6.7146 6.9575 6.9655 7.7103 7.7175 7.8168 7.8212 17.1370 17.1398 18.2267 18.2321 18.6873 18.6954 18.8970 18.9070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.0191-0.3645 ( 1400 PWs) bands (ev): -16.1212 -16.1210 -12.2132 -12.2127 -11.3169 -11.3165 -10.6630 -10.6627 -4.8372 -4.8364 -2.4067 -2.4056 -0.9520 -0.9494 0.5924 0.5951 2.3072 2.3140 4.1250 4.1277 5.3460 5.3522 5.6962 5.6995 6.2454 6.2477 7.1830 7.1923 7.3964 7.4025 7.7407 7.7496 16.7106 16.7146 18.2501 18.2549 18.6021 18.6079 18.8834 18.8898 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.0191-0.2110 ( 1396 PWs) bands (ev): -16.5469 -16.5468 -11.5835 -11.5830 -11.1476 -11.1473 -10.4445 -10.4441 -5.2847 -5.2842 -1.9084 -1.9074 -1.3821 -1.3806 0.1950 0.1980 2.6237 2.6279 3.4619 3.4645 5.1992 5.2029 5.8339 5.8375 6.3101 6.3142 7.0653 7.0704 7.7037 7.7247 7.9293 7.9518 16.1343 16.1370 18.2223 18.2274 18.4191 18.4222 18.8433 18.8457 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.0191-0.0576 ( 1399 PWs) bands (ev): -16.7525 -16.7524 -11.1751 -11.1747 -11.0507 -11.0504 -10.3908 -10.3906 -5.5336 -5.5333 -1.6286 -1.6277 -1.5185 -1.5175 -0.1144 -0.1125 2.7970 2.7992 3.0309 3.0323 4.9199 4.9220 5.9601 5.9617 6.1510 6.1537 7.5526 7.5577 7.8098 7.8197 8.1440 8.1545 15.6784 15.6795 18.3033 18.3092 18.3582 18.3631 18.6227 18.6233 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.1074 0.1918 ( 1403 PWs) bands (ev): -16.5174 -16.5173 -11.5676 -11.5671 -11.1605 -11.1604 -10.6377 -10.6374 -5.0832 -5.0827 -1.7808 -1.7798 -1.2258 -1.2248 -0.0332 -0.0310 2.7744 2.7776 3.4514 3.4538 4.9284 4.9312 5.9462 5.9485 6.1838 6.1880 7.0417 7.0445 7.7041 7.7057 8.0721 8.0768 16.2558 16.2580 18.1203 18.1220 18.1576 18.1627 18.8502 18.8527 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.1074 0.3453 ( 1406 PWs) bands (ev): -16.1237 -16.1235 -12.2000 -12.1995 -11.3249 -11.3247 -10.7099 -10.7096 -4.7850 -4.7843 -2.2846 -2.2836 -0.9275 -0.9253 0.4777 0.4799 2.5261 2.5323 3.9014 3.9036 5.2999 5.3037 5.3380 5.3395 6.4421 6.4447 7.1728 7.1732 7.6695 7.6736 7.7251 7.7292 16.7612 16.7649 18.1535 18.1560 18.2917 18.2994 18.8303 18.8350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.1074 0.4988 ( 1399 PWs) bands (ev): -15.5433 -15.5431 -12.9058 -12.9054 -11.4641 -11.4639 -10.9617 -10.9615 -4.3498 -4.3489 -2.7553 -2.7542 -0.6110 -0.6079 0.7096 0.7103 2.4516 2.4601 3.7072 3.7122 5.3350 5.3351 5.7568 5.7589 6.7590 6.7608 7.2278 7.2381 7.5990 7.6034 7.7524 7.7587 17.1302 17.1329 18.2050 18.2088 18.5156 18.5216 18.6749 18.6803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.1074 0.6522 ( 1395 PWs) bands (ev): -14.8296 -14.8294 -13.6617 -13.6613 -11.4940 -11.4938 -11.2536 -11.2535 -3.8509 -3.8497 -3.1768 -3.1756 -0.3132 -0.3104 0.3914 0.3927 2.7729 2.7829 3.3862 3.3960 5.4992 5.5022 5.7055 5.7092 7.2233 7.2242 7.2501 7.2596 7.8346 7.8379 7.8632 7.8686 17.5128 17.5133 18.1119 18.1157 18.3882 18.3897 18.3954 18.3965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.1074 0.8057 ( 1395 PWs) bands (ev): -14.4444 -14.4441 -14.0524 -14.0520 -11.4519 -11.4517 -11.3702 -11.3701 -3.6108 -3.6096 -3.3873 -3.3861 -0.1163 -0.1140 0.1280 0.1299 3.0098 3.0205 3.2247 3.2350 5.5230 5.5266 5.5978 5.6020 7.3668 7.3724 7.3725 7.3767 7.8646 7.8662 7.8711 7.8733 17.7360 17.7365 17.9552 17.9573 18.2935 18.2938 18.3064 18.3072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.1074-0.5755 ( 1399 PWs) bands (ev): -15.1990 -15.1988 -13.2784 -13.2780 -11.4967 -11.4965 -11.1123 -11.1121 -4.1015 -4.1004 -2.9696 -2.9684 -0.4692 -0.4661 0.6105 0.6109 2.5699 2.5792 3.5268 3.5347 5.4625 5.4640 5.7839 5.7870 6.9886 6.9908 7.1648 7.1749 7.7465 7.7502 7.8202 7.8267 17.3101 17.3117 18.1850 18.1892 18.4910 18.4950 18.5445 18.5490 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.1074-0.4220 ( 1401 PWs) bands (ev): -15.8540 -15.8538 -12.5458 -12.5454 -11.4036 -11.4034 -10.8210 -10.8208 -4.5815 -4.5806 -2.5273 -2.5263 -0.7627 -0.7599 0.6554 0.6571 2.4421 2.4495 3.8959 3.8970 5.2012 5.2032 5.5879 5.5882 6.5861 6.5864 7.3376 7.3439 7.5047 7.5058 7.6947 7.6998 16.9573 16.9608 18.1878 18.1910 18.4297 18.4371 18.7679 18.7732 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.1074-0.2686 ( 1405 PWs) bands (ev): -16.3464 -16.3463 -11.8717 -11.8712 -11.2397 -11.2395 -10.6451 -10.6448 -4.9535 -4.9528 -2.0318 -2.0309 -1.0890 -1.0874 0.2315 0.2339 2.6558 2.6605 3.6990 3.7019 5.0992 5.1015 5.6371 5.6410 6.3040 6.3079 7.0257 7.0272 7.6802 7.6827 7.9422 7.9470 16.5205 16.5237 18.1244 18.1265 18.1891 18.1959 18.8609 18.8646 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.1074-0.1151 ( 1400 PWs) bands (ev): -16.6333 -16.6333 -11.2997 -11.2992 -11.0994 -11.0993 -10.6897 -10.6893 -5.1717 -5.1714 -1.5540 -1.5532 -1.3224 -1.3218 -0.2738 -0.2720 2.8472 2.8490 3.2523 3.2538 4.8376 4.8399 6.0548 6.0558 6.1010 6.1043 7.2962 7.3001 7.7271 7.7281 8.0732 8.0777 16.0255 16.0267 18.1511 18.1523 18.1761 18.1793 18.7908 18.7921 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.1074 0.0384 ( 1401 PWs) bands (ev): -16.6918 -16.6918 -11.0991 -11.0988 -11.0661 -11.0661 -10.7796 -10.7793 -5.2168 -5.2167 -1.4007 -1.4003 -1.3716 -1.3714 -0.4338 -0.4331 2.8760 2.8765 3.1437 3.1442 4.8051 4.8060 6.0549 6.0549 6.0649 6.0659 7.6314 7.6356 7.7412 7.7421 7.9345 7.9384 15.8915 15.8919 18.1959 18.1965 18.2037 18.2047 18.7156 18.7160 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2338 0.2878 ( 1403 PWs) bands (ev): -16.0851 -16.0850 -12.3326 -12.3321 -11.2761 -11.2759 -10.8196 -10.8193 -4.5941 -4.5935 -1.8292 -1.8282 -0.9179 -0.9161 0.1592 0.1618 2.9234 2.9276 3.7588 3.7620 4.9253 4.9268 5.2004 5.2050 6.1556 6.1578 7.1180 7.1277 7.7141 7.7239 8.0195 8.0329 17.0150 17.0196 17.8331 17.8388 17.9966 18.0000 18.9470 18.9503 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2338 0.4412 ( 1400 PWs) bands (ev): -15.6153 -15.6152 -12.9091 -12.9087 -11.4401 -11.4398 -10.9088 -10.9085 -4.3863 -4.3856 -2.2564 -2.2553 -0.6830 -0.6806 0.4745 0.4757 2.8529 2.8603 3.4489 3.4518 5.1332 5.1383 5.3827 5.3891 6.5147 6.5204 7.3186 7.3296 7.6439 7.6507 7.9151 7.9255 17.2030 17.2061 18.0173 18.0218 18.2889 18.2929 18.7451 18.7497 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2338 0.5947 ( 1400 PWs) bands (ev): -15.0340 -15.0338 -13.4886 -13.4883 -11.5371 -11.5369 -11.1328 -11.1327 -4.0160 -4.0152 -2.6687 -2.6676 -0.5254 -0.5227 0.2672 0.2683 2.9259 2.9338 3.3403 3.3479 5.3804 5.3853 5.7089 5.7118 6.9827 6.9846 7.2183 7.2293 7.7698 7.7782 7.8894 7.8934 17.4606 17.4619 18.0085 18.0110 18.3181 18.3229 18.5077 18.5124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2338 0.7482 ( 1405 PWs) bands (ev): -14.5334 -14.5332 -13.9657 -13.9655 -11.5371 -11.5370 -11.3035 -11.3034 -3.6811 -3.6807 -2.9725 -2.9720 -0.3500 -0.3477 -0.1361 -0.1339 3.0698 3.0778 3.4539 3.4629 5.3270 5.3315 5.7834 5.7873 7.3190 7.3226 7.3801 7.3856 7.7631 7.7657 7.8273 7.8294 17.8317 17.8322 17.8795 17.8811 18.0262 18.0268 18.3342 18.3347 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2338 0.9016 ( 1404 PWs) bands (ev): -14.8848 -14.8846 -13.6302 -13.6299 -11.5440 -11.5438 -11.1906 -11.1905 -3.9112 -3.9104 -2.7656 -2.7646 -0.4873 -0.4847 0.1551 0.1565 2.9689 2.9768 3.3740 3.3821 5.3754 5.3802 5.7539 5.7565 7.0766 7.0789 7.2657 7.2776 7.7862 7.7938 7.8710 7.8735 17.5505 17.5515 17.9664 17.9684 18.2689 18.2726 18.4450 18.4484 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2338-0.4796 ( 1401 PWs) bands (ev): -15.4769 -15.4767 -13.0544 -13.0541 -11.4736 -11.4734 -10.9575 -10.9573 -4.3071 -4.3064 -2.3616 -2.3605 -0.6371 -0.6346 0.4756 0.4763 2.8549 2.8627 3.3688 3.3733 5.2322 5.2379 5.4687 5.4752 6.6314 6.6374 7.2866 7.2967 7.6622 7.6697 7.9135 7.9219 17.2523 17.2549 18.0461 18.0502 18.3327 18.3373 18.6881 18.6933 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2338-0.3261 ( 1407 PWs) bands (ev): -15.9824 -15.9823 -12.4751 -12.4746 -11.3186 -11.3183 -10.8236 -10.8233 -4.5574 -4.5568 -1.9359 -1.9349 -0.8551 -0.8532 0.2705 0.2729 2.9000 2.9051 3.7324 3.7349 4.9518 4.9528 5.1668 5.1718 6.2260 6.2291 7.1922 7.2024 7.7075 7.7181 7.9777 7.9924 17.0730 17.0776 17.8739 17.8794 18.0668 18.0705 18.9035 18.9070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2338-0.1727 ( 1406 PWs) bands (ev): -16.3234 -16.3234 -11.9264 -11.9259 -11.1669 -11.1667 -10.8805 -10.8801 -4.6600 -4.6595 -1.5270 -1.5260 -1.0815 -1.0795 -0.2038 -0.2010 2.9557 2.9578 3.6468 3.6493 4.8059 4.8095 5.6625 5.6660 6.0635 6.0656 6.9413 6.9495 7.6943 7.7017 8.0598 8.0699 16.7560 16.7589 17.8150 17.8195 17.8881 17.8910 19.0218 19.0248 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2338-0.0192 ( 1411 PWs) bands (ev): -16.4600 -16.4600 -11.5568 -11.5563 -11.1468 -11.1467 -10.9985 -10.9981 -4.6866 -4.6863 -1.3192 -1.3182 -1.1197 -1.1190 -0.5314 -0.5297 2.9281 2.9288 3.5056 3.5069 4.7643 4.7669 5.9812 5.9827 6.1069 6.1089 7.0874 7.0897 7.6384 7.6408 7.9039 7.9074 16.4979 16.4990 17.9014 17.9026 17.9110 17.9137 18.9654 18.9670 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.2338 0.1343 ( 1405 PWs) bands (ev): -16.3777 -16.3777 -11.8048 -11.8043 -11.1436 -11.1433 -10.9185 -10.9182 -4.6714 -4.6710 -1.4421 -1.4410 -1.1163 -1.1141 -0.3154 -0.3127 2.9505 2.9522 3.5957 3.5978 4.7855 4.7891 5.7941 5.7977 6.0833 6.0855 6.9332 6.9403 7.6829 7.6899 8.0295 8.0389 16.6638 16.6660 17.8384 17.8422 17.8845 17.8872 19.0203 19.0230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.3603 0.3837 ( 1393 PWs) bands (ev): -15.5632 -15.5631 -13.1249 -13.1247 -11.3276 -11.3274 -10.9458 -10.9456 -4.3308 -4.3303 -1.7417 -1.7408 -0.5203 -0.5183 0.1690 0.1706 3.2342 3.2400 3.4399 3.4465 4.5834 4.5879 5.0814 5.0875 6.1320 6.1407 7.2954 7.3100 7.7905 7.7989 8.0619 8.0770 17.2509 17.2531 17.9369 17.9412 18.1960 18.1995 18.9815 18.9846 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.3603 0.5371 ( 1403 PWs) bands (ev): -15.2188 -15.2187 -13.4184 -13.4182 -11.4630 -11.4628 -11.0179 -11.0178 -4.2252 -4.2247 -2.1307 -2.1297 -0.4342 -0.4315 0.1950 0.1961 2.9117 2.9160 3.3850 3.3944 5.0054 5.0115 5.4051 5.4080 6.8006 6.8100 7.0074 7.0194 7.8743 7.8816 7.9861 7.9917 17.4076 17.4080 17.9291 17.9299 18.5113 18.5144 18.6254 18.6288 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.3603 0.6906 ( 1402 PWs) bands (ev): -14.9941 -14.9939 -13.5379 -13.5376 -11.5639 -11.5637 -11.1324 -11.1323 -3.9879 -3.9874 -2.5087 -2.5078 -0.5270 -0.5245 0.1091 0.1105 2.9876 2.9941 3.3654 3.3752 5.2182 5.2239 5.7037 5.7055 6.9854 6.9907 7.2889 7.2991 7.7822 7.7889 7.8904 7.8978 17.5142 17.5150 17.9067 17.9073 18.2823 18.2854 18.4534 18.4568 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.3603-0.2302 ( 1413 PWs) bands (ev): -15.8748 -15.8747 -12.7155 -12.7151 -11.2279 -11.2276 -11.0044 -11.0043 -4.2682 -4.2675 -1.4751 -1.4744 -0.7183 -0.7156 -0.0953 -0.0923 3.2719 3.2747 3.8391 3.8440 4.4079 4.4113 5.2812 5.2870 5.5695 5.5734 7.2306 7.2443 7.7967 7.8070 8.0646 8.0817 17.2684 17.2735 17.6506 17.6563 17.7891 17.7916 19.1847 19.1883 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250 0.3603-0.0767 ( 1415 PWs) bands (ev): -16.0522 -16.0521 -12.3567 -12.3564 -11.2660 -11.2658 -11.0662 -11.0660 -4.1687 -4.1682 -1.4335 -1.4327 -0.8074 -0.8059 -0.2893 -0.2872 3.1425 3.1437 3.7762 3.7793 4.6459 4.6491 5.3107 5.3140 6.0109 6.0130 6.9510 6.9589 7.6921 7.6956 8.0387 8.0442 17.2523 17.2578 17.5004 17.5055 17.5890 17.5922 19.0516 19.0539 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.5249-0.2878 ( 1405 PWs) bands (ev): -15.4177 -15.4176 -13.3169 -13.3167 -11.3565 -11.3561 -10.9211 -10.9208 -4.3408 -4.3404 -1.8016 -1.8006 -0.4743 -0.4718 0.2405 0.2427 3.0087 3.0148 3.5702 3.5755 4.7175 4.7222 4.9646 4.9694 6.6079 6.6157 6.8222 6.8319 7.8632 7.8756 8.0775 8.0857 17.1662 17.1679 18.1814 18.1856 18.5562 18.5576 18.8764 18.8783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.5249-0.1343 ( 1399 PWs) bands (ev): -15.4657 -15.4655 -13.1049 -13.1046 -11.4481 -11.4479 -10.9491 -10.9489 -4.3273 -4.3266 -2.2680 -2.2669 -0.6098 -0.6072 0.4409 0.4418 2.8604 2.8679 3.3996 3.4044 5.1430 5.1486 5.4439 5.4507 6.5848 6.5926 7.1994 7.2096 7.6887 7.6977 7.9693 7.9780 17.2747 17.2775 18.0190 18.0236 18.4099 18.4142 18.7230 18.7282 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.5249 0.0192 ( 1400 PWs) bands (ev): -15.4894 -15.4892 -12.9962 -12.9958 -11.5049 -11.5047 -10.9670 -10.9668 -4.2787 -4.2780 -2.4666 -2.4656 -0.6665 -0.6640 0.5122 0.5127 2.8551 2.8633 3.3358 3.3397 5.3725 5.3786 5.4231 5.4292 6.7296 6.7322 7.3617 7.3661 7.6821 7.6848 7.8045 7.8112 17.2110 17.2131 18.1296 18.1326 18.2243 18.2284 18.6297 18.6334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.5249 0.1727 ( 1400 PWs) bands (ev): -15.4525 -15.4524 -13.1621 -13.1618 -11.4209 -11.4206 -10.9398 -10.9396 -4.3444 -4.3438 -2.1576 -2.1565 -0.5765 -0.5739 0.3975 0.3987 2.8750 2.8821 3.4379 3.4430 5.0441 5.0497 5.3714 5.3782 6.5746 6.5837 7.0874 7.0969 7.7283 7.7383 8.0156 8.0244 17.2798 17.2827 18.0212 18.0262 18.4957 18.4999 18.7459 18.7509 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.5249 0.3261 ( 1399 PWs) bands (ev): -15.4134 -15.4133 -13.3473 -13.3472 -11.3453 -11.3449 -10.9229 -10.9225 -4.3156 -4.3153 -1.6945 -1.6937 -0.4518 -0.4494 0.1870 0.1894 3.0919 3.0974 3.6034 3.6086 4.5835 4.5869 4.8638 4.8674 6.4520 6.4596 6.9176 6.9294 7.9062 7.9192 8.0712 8.0791 17.1104 17.1116 18.2383 18.2426 18.4646 18.4666 18.9742 18.9769 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.5249-1.0551 ( 1403 PWs) bands (ev): -15.4555 -15.4555 -13.3071 -13.3070 -11.3544 -11.3538 -10.9897 -10.9892 -4.1089 -4.1085 -1.4299 -1.4291 -0.4504 -0.4485 -0.0022 -0.0004 3.4727 3.4770 3.6409 3.6448 4.0508 4.0544 4.9926 4.9957 5.7982 5.8039 7.2887 7.3035 7.9381 7.9415 8.0520 8.0639 16.9574 16.9578 17.9409 17.9427 18.2935 18.2951 19.2657 19.2701 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.5249-0.9016 ( 1408 PWs) bands (ev): -15.5436 -15.5435 -13.0967 -13.0964 -11.4167 -11.4162 -11.1165 -11.1162 -3.8326 -3.8320 -1.4966 -1.4959 -0.5093 -0.5086 -0.0646 -0.0641 3.3149 3.3182 3.5969 3.6002 4.3111 4.3134 5.0511 5.0548 5.9235 5.9292 7.2321 7.2426 7.8003 7.8038 8.1326 8.1397 17.0039 17.0052 17.5262 17.5289 18.0866 18.0881 19.1492 19.1520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.5249-0.7482 ( 1408 PWs) bands (ev): -15.5776 -15.5775 -12.9948 -12.9946 -11.4519 -11.4518 -11.1706 -11.1704 -3.7147 -3.7142 -1.5924 -1.5921 -0.5413 -0.5412 -0.0413 -0.0407 3.2993 3.3001 3.4762 3.4768 4.4255 4.4281 5.0302 5.0310 6.3349 6.3377 6.9636 6.9658 7.7728 7.7786 8.1531 8.1546 17.1083 17.1095 17.3630 17.3642 17.9827 17.9830 18.9936 18.9949 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.5249-0.5947 ( 1407 PWs) bands (ev): -15.5233 -15.5233 -13.1515 -13.1513 -11.3994 -11.3989 -11.0856 -11.0852 -3.8979 -3.8972 -1.4568 -1.4561 -0.4927 -0.4919 -0.0666 -0.0661 3.3452 3.3491 3.6511 3.6551 4.2106 4.2136 5.0900 5.0944 5.7788 5.7850 7.3015 7.3141 7.8210 7.8237 8.1187 8.1276 16.9736 16.9747 17.6114 17.6141 18.1426 18.1441 19.2155 19.2189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.5249-0.4412 ( 1400 PWs) bands (ev): -15.4368 -15.4368 -13.3407 -13.3407 -11.3450 -11.3445 -10.9642 -10.9637 -4.1732 -4.1729 -1.4655 -1.4648 -0.4410 -0.4390 0.0395 0.0418 3.4300 3.4315 3.6041 3.6065 4.1466 4.1499 4.9045 4.9077 5.9426 5.9485 7.2195 7.2338 7.9827 7.9851 8.0233 8.0338 16.9792 16.9795 18.0683 18.0699 18.3188 18.3208 19.2216 19.2258 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.3984-0.1918 ( 1402 PWs) bands (ev): -15.8636 -15.8635 -12.6818 -12.6814 -11.3369 -11.3365 -10.7534 -10.7530 -4.5987 -4.5980 -2.0548 -2.0536 -0.8801 -0.8777 0.4625 0.4656 2.6390 2.6453 4.0559 4.0582 4.8733 4.8767 5.4527 5.4575 6.1559 6.1645 7.1305 7.1420 7.5164 7.5241 7.9898 7.9994 17.0294 17.0339 18.1030 18.1103 18.5941 18.5975 18.8962 18.9005 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.3984-0.0384 ( 1402 PWs) bands (ev): -15.9889 -15.9888 -12.3864 -12.3859 -11.3625 -11.3623 -10.7600 -10.7597 -4.6844 -4.6836 -2.3916 -2.3905 -0.8456 -0.8431 0.5726 0.5747 2.4822 2.4890 3.9371 3.9382 5.1938 5.1970 5.4763 5.4777 6.4814 6.4827 7.2684 7.2732 7.5682 7.5759 7.7138 7.7239 16.8762 16.8800 18.1624 18.1658 18.3719 18.3790 18.8107 18.8159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.3984 0.1151 ( 1400 PWs) bands (ev): -15.9463 -15.9461 -12.4986 -12.4981 -11.3445 -11.3442 -10.7559 -10.7556 -4.6588 -4.6580 -2.2692 -2.2681 -0.8572 -0.8547 0.5294 0.5318 2.5385 2.5452 3.9761 3.9780 5.0737 5.0770 5.5261 5.5297 6.2851 6.2888 7.2633 7.2759 7.4902 7.4955 7.8522 7.8629 16.9557 16.9599 18.1105 18.1163 18.4557 18.4603 18.8591 18.8646 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.3984 0.2686 ( 1399 PWs) bands (ev): -15.7467 -15.7466 -12.8926 -12.8922 -11.3570 -11.3565 -10.7639 -10.7634 -4.4960 -4.4955 -1.8011 -1.8000 -0.9058 -0.9033 0.3952 0.3990 2.7662 2.7719 4.1506 4.1520 4.6525 4.6546 5.1474 5.1509 6.2851 6.2957 6.8931 6.9018 7.6149 7.6252 8.0939 8.1027 17.0059 17.0097 18.2119 18.2188 18.7358 18.7395 18.8687 18.8723 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.3984 0.4220 ( 1394 PWs) bands (ev): -15.4509 -15.4508 -13.2802 -13.2799 -11.4594 -11.4589 -10.8684 -10.8678 -4.1688 -4.1686 -1.5122 -1.5113 -0.7819 -0.7791 0.2824 0.2866 3.0025 3.0080 3.7920 3.7962 4.6313 4.6348 4.7989 4.8006 6.2747 6.2782 6.8254 6.8352 7.8488 7.8623 8.1623 8.1703 16.8201 16.8215 18.3144 18.3189 18.5730 18.5777 19.1616 19.1664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.3984-0.9592 ( 1405 PWs) bands (ev): -15.1768 -15.1767 -13.5107 -13.5105 -11.5548 -11.5543 -11.0857 -11.0853 -3.7474 -3.7470 -1.6859 -1.6852 -0.4170 -0.4150 0.1585 0.1612 2.8710 2.8751 3.5948 3.5979 4.4703 4.4734 5.0921 5.0932 6.1328 6.1396 7.2232 7.2341 7.8659 7.8705 8.1745 8.1780 16.8161 16.8168 17.8686 17.8713 18.5051 18.5076 19.2471 19.2511 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.3984-0.8057 ( 1407 PWs) bands (ev): -15.0456 -15.0455 -13.5723 -13.5721 -11.5690 -11.5688 -11.2788 -11.2786 -3.4319 -3.4315 -1.8989 -1.8986 -0.2900 -0.2894 0.1231 0.1245 2.7204 2.7233 3.6862 3.6870 4.2724 4.2744 5.1367 5.1390 6.6815 6.6868 7.0979 7.1020 7.8432 7.8494 8.1728 8.1749 17.0666 17.0676 17.4754 17.4770 18.3503 18.3516 19.0137 19.0149 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.3984-0.6522 ( 1405 PWs) bands (ev): -15.0893 -15.0892 -13.5566 -13.5565 -11.5713 -11.5710 -11.2010 -11.2006 -3.5542 -3.5538 -1.8120 -1.8115 -0.3175 -0.3159 0.1246 0.1266 2.7628 2.7658 3.6523 3.6544 4.3602 4.3627 5.1195 5.1211 6.3841 6.3904 7.2511 7.2589 7.8208 7.8232 8.1840 8.1881 16.9257 16.9269 17.6532 17.6557 18.4173 18.4192 19.1227 19.1247 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.3984-0.4988 ( 1402 PWs) bands (ev): -15.3021 -15.3020 -13.4198 -13.4196 -11.5148 -11.5142 -10.9675 -10.9670 -3.9621 -3.9618 -1.5693 -1.5685 -0.5914 -0.5889 0.2204 0.2239 2.9983 3.0043 3.5960 3.6007 4.5492 4.5520 4.9904 4.9927 6.0904 6.0963 7.0522 7.0635 7.9060 7.9172 8.1565 8.1620 16.7809 16.7814 18.1010 18.1036 18.5601 18.5633 19.2674 19.2728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.3984-0.3453 ( 1395 PWs) bands (ev): -15.6048 -15.6046 -13.0994 -13.0991 -11.4020 -11.4014 -10.7999 -10.7993 -4.3505 -4.3502 -1.5879 -1.5870 -0.8954 -0.8927 0.3374 0.3417 2.8990 2.9042 4.0769 4.0800 4.5894 4.5944 4.8459 4.8495 6.4640 6.4721 6.6677 6.6716 7.7355 7.7478 8.1513 8.1596 16.9112 16.9137 18.3461 18.3524 18.6677 18.6717 18.9826 18.9856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.2720-0.0959 ( 1397 PWs) bands (ev): -16.3599 -16.3598 -11.8809 -11.8804 -11.2297 -11.2293 -10.5333 -10.5329 -5.0784 -5.0777 -2.1564 -2.1554 -1.1848 -1.1828 0.3997 0.4027 2.4668 2.4723 3.7962 3.7992 5.4333 5.4365 5.7122 5.7175 6.1932 6.1982 7.0802 7.0862 7.5618 7.5795 7.7910 7.8101 16.4373 16.4408 18.2279 18.2329 18.4859 18.4899 18.8923 18.8965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.2720 0.0576 ( 1401 PWs) bands (ev): -16.3865 -16.3864 -11.8208 -11.8203 -11.2209 -11.2207 -10.5331 -10.5328 -5.1126 -5.1119 -2.2091 -2.2081 -1.1537 -1.1517 0.3988 0.4015 2.4485 2.4541 3.7570 3.7599 5.3918 5.3951 5.7936 5.7989 6.2456 6.2512 7.0643 7.0684 7.6210 7.6413 7.7534 7.7745 16.3742 16.3776 18.2731 18.2768 18.4554 18.4607 18.8564 18.8606 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.2720 0.2110 ( 1400 PWs) bands (ev): -16.2027 -16.2026 -12.1810 -12.1805 -11.2982 -11.2977 -10.5568 -10.5563 -4.8828 -4.8822 -1.8745 -1.8734 -1.3410 -1.3391 0.4136 0.4176 2.5428 2.5478 4.0223 4.0256 5.3920 5.3982 5.6149 5.6203 5.8204 5.8254 7.1985 7.2121 7.3484 7.3542 7.9019 7.9140 16.6987 16.7032 18.1427 18.1500 18.5990 18.6037 18.9833 18.9856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.2720 0.3645 ( 1399 PWs) bands (ev): -15.8298 -15.8296 -12.7144 -12.7140 -11.4591 -11.4586 -10.7027 -10.7021 -4.4550 -4.4546 -1.7833 -1.7821 -1.1566 -1.1545 0.4546 0.4589 2.5819 2.5874 4.4346 4.4373 4.7837 4.7866 5.2043 5.2076 6.2126 6.2219 6.7502 6.7576 7.6254 7.6341 8.0442 8.0513 16.8244 16.8277 18.3688 18.3754 18.7973 18.8005 18.8427 18.8487 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.2720 0.5180 ( 1403 PWs) bands (ev): -15.3177 -15.3175 -13.2786 -13.2783 -11.5936 -11.5931 -10.9850 -10.9846 -3.9257 -3.9252 -2.1308 -2.1296 -0.5343 -0.5317 0.4442 0.4463 2.5638 2.5718 3.7730 3.7801 4.9421 4.9453 5.1968 5.2007 6.4066 6.4130 6.8277 6.8348 7.8715 7.8799 8.1342 8.1391 16.8769 16.8776 18.2401 18.2462 18.6722 18.6775 19.1522 19.1584 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.2720-0.8633 ( 1402 PWs) bands (ev): -14.7647 -14.7645 -13.8144 -13.8141 -11.6046 -11.6042 -11.2953 -11.2950 -3.4262 -3.4256 -2.4646 -2.4637 -0.0977 -0.0945 0.3179 0.3198 2.6012 2.6081 3.3666 3.3734 4.7231 4.7253 5.1956 5.2002 6.8381 6.8444 7.2737 7.2796 7.8619 7.8620 8.1343 8.1378 17.1876 17.1887 17.8598 17.8634 18.5415 18.5439 19.0196 19.0225 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.2720-0.7098 ( 1410 PWs) bands (ev): -14.6508 -14.6506 -13.9236 -13.9234 -11.5877 -11.5874 -11.3534 -11.3531 -3.3405 -3.3401 -2.5262 -2.5256 -0.0277 -0.0251 0.2723 0.2745 2.6279 2.6338 3.3146 3.3195 4.6828 4.6855 5.1787 5.1832 6.9850 6.9912 7.2799 7.2854 7.8657 7.8685 8.1116 8.1145 17.2986 17.3000 17.7538 17.7566 18.5073 18.5089 18.9608 18.9628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.2720-0.5563 ( 1402 PWs) bands (ev): -15.1774 -15.1771 -13.4178 -13.4175 -11.6101 -11.6097 -11.0664 -11.0660 -3.7904 -3.7898 -2.2193 -2.2181 -0.4013 -0.3984 0.4247 0.4262 2.5625 2.5708 3.6314 3.6392 4.9083 4.9109 5.2160 5.2201 6.4579 6.4644 6.9670 6.9744 7.8895 7.8965 8.1458 8.1499 16.9273 16.9276 18.1507 18.1561 18.6536 18.6582 19.1634 19.1690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.2720-0.4029 ( 1397 PWs) bands (ev): -15.7122 -15.7120 -12.8554 -12.8550 -11.4999 -11.4994 -10.7629 -10.7623 -4.3284 -4.3280 -1.8649 -1.8637 -0.9986 -0.9965 0.4607 0.4647 2.5778 2.5839 4.3416 4.3448 4.7660 4.7682 5.1869 5.1903 6.3386 6.3486 6.6374 6.6445 7.7045 7.7136 8.0738 8.0803 16.8239 16.8265 18.3966 18.4036 18.7470 18.7511 18.9288 18.9351 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.2720-0.2494 ( 1400 PWs) bands (ev): -16.1258 -16.1256 -12.3061 -12.3057 -11.3341 -11.3336 -10.5789 -10.5783 -4.7907 -4.7902 -1.7665 -1.7654 -1.3891 -1.3871 0.4229 0.4272 2.5632 2.5681 4.1285 4.1319 5.3023 5.3088 5.4752 5.4774 5.8538 5.8608 7.1317 7.1434 7.3801 7.3861 7.9388 7.9492 16.7645 16.7692 18.1710 18.1785 18.6395 18.6446 18.9736 18.9750 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.1455 0.0000 ( 1393 PWs) bands (ev): -16.6674 -16.6673 -11.3604 -11.3599 -11.1022 -11.1021 -10.3415 -10.3413 -5.4959 -5.4954 -1.9617 -1.9608 -1.3933 -1.3920 0.1515 0.1539 2.6225 2.6265 3.2436 3.2460 5.1400 5.1432 6.0757 6.0812 6.1334 6.1349 7.3275 7.3360 7.7956 7.7973 7.9491 7.9585 15.8350 15.8371 18.3902 18.3908 18.4258 18.4307 18.6825 18.6828 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.1455 0.1535 ( 1387 PWs) bands (ev): -16.5522 -16.5521 -11.5854 -11.5850 -11.1696 -11.1693 -10.3769 -10.3764 -5.3274 -5.3269 -1.7902 -1.7891 -1.5836 -1.5823 0.2538 0.2572 2.5950 2.5991 3.4774 3.4798 5.3149 5.3192 5.7102 5.7131 6.4130 6.4152 7.0930 7.0970 7.6119 7.6344 7.9001 7.9238 16.1182 16.1210 18.2101 18.2149 18.5344 18.5375 18.8720 18.8728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.1455 0.3069 ( 1394 PWs) bands (ev): -16.2159 -16.2158 -12.1166 -12.1161 -11.3334 -11.3329 -10.5446 -10.5441 -4.8951 -4.8946 -2.0275 -2.0263 -1.2959 -1.2941 0.4709 0.4748 2.4373 2.4427 4.0691 4.0719 5.4619 5.4672 5.7646 5.7707 5.8419 5.8422 7.1431 7.1531 7.3300 7.3378 7.8482 7.8584 16.6350 16.6392 18.2030 18.2094 18.6616 18.6664 18.9598 18.9631 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.1455 0.4604 ( 1410 PWs) bands (ev): -15.6870 -15.6867 -12.7803 -12.7799 -11.4951 -11.4947 -10.8526 -10.8522 -4.3374 -4.3366 -2.4785 -2.4772 -0.6779 -0.6750 0.6437 0.6457 2.2584 2.2663 4.3987 4.4064 4.8631 4.8657 5.6848 5.6894 6.3950 6.4031 6.7287 6.7351 7.7273 7.7336 7.9074 7.9115 16.9610 16.9638 18.2989 18.3062 18.7780 18.7822 18.9791 18.9891 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.1455 0.6139 ( 1405 PWs) bands (ev): -15.0143 -15.0140 -13.5054 -13.5050 -11.5572 -11.5568 -11.1997 -11.1994 -3.7744 -3.7734 -2.8871 -2.8858 -0.1246 -0.1205 0.6207 0.6218 2.3472 2.3570 3.5798 3.5917 4.9888 4.9946 5.4873 5.4929 6.8807 6.8891 7.1056 7.1101 7.9229 7.9266 8.0385 8.0419 17.3004 17.3012 18.1506 18.1571 18.6312 18.6359 18.9525 18.9592 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1250-0.1455-0.7673 ( 1400 PWs) bands (ev): -14.2646 -14.2646 -14.2642 -14.2642 -11.4593 -11.4593 -11.4590 -11.4590 -3.2924 -3.2924 -3.2912 -3.2912 0.3144 0.3144 0.3181 0.3181 2.8475 2.8475 2.8595 2.8595 5.1516 5.1516 5.1577 5.1577 7.3191 7.3191 7.3275 7.3275 7.9926 7.9926 7.9968 7.9968 17.7908 17.7908 17.7945 17.7945 18.6009 18.6009 18.6043 18.6043 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0381 0.1918 ( 1404 PWs) bands (ev): -16.3467 -16.3466 -11.9819 -11.9814 -11.1603 -11.1599 -10.6143 -10.6139 -4.9638 -4.9632 -1.6831 -1.6822 -1.3246 -1.3222 0.1492 0.1529 2.7703 2.7740 3.6948 3.6980 5.1750 5.1793 5.5918 5.5950 5.9580 5.9622 7.0293 7.0397 7.6859 7.7054 7.9785 8.0015 16.6185 16.6225 17.9961 18.0031 18.2677 18.2711 19.0203 19.0235 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0381 0.3453 ( 1403 PWs) bands (ev): -15.9817 -15.9816 -12.5376 -12.5372 -11.2944 -11.2940 -10.7041 -10.7037 -4.6903 -4.6897 -1.9616 -1.9605 -0.9909 -0.9886 0.4097 0.4132 2.6707 2.6763 4.0580 4.0617 4.9425 4.9471 5.4408 5.4454 6.0051 6.0127 7.2173 7.2325 7.4677 7.4730 7.9763 7.9879 16.9793 16.9844 18.0636 18.0713 18.5139 18.5172 18.9489 18.9523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0381 0.4988 ( 1401 PWs) bands (ev): -15.4614 -15.4612 -13.1122 -13.1119 -11.4588 -11.4585 -10.9455 -10.9452 -4.2837 -4.2830 -2.3273 -2.3261 -0.5742 -0.5713 0.5292 0.5306 2.5809 2.5889 3.7234 3.7284 5.0553 5.0589 5.4882 5.4934 6.6174 6.6233 6.8874 6.8930 7.7492 7.7603 8.0081 8.0146 17.1643 17.1668 18.1615 18.1674 18.6141 18.6192 18.8539 18.8601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0381 0.6522 ( 1401 PWs) bands (ev): -14.8847 -14.8845 -13.6589 -13.6586 -11.5626 -11.5624 -11.2008 -11.2006 -3.8649 -3.8643 -2.6258 -2.6249 -0.2705 -0.2675 0.3321 0.3339 2.6337 2.6411 3.4973 3.5044 4.9742 4.9769 5.5733 5.5776 6.9302 6.9363 7.2717 7.2801 7.8972 7.9000 7.9962 8.0040 17.4592 17.4596 18.0523 18.0573 18.2826 18.2873 18.7447 18.7463 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0381 0.8057 ( 1407 PWs) bands (ev): -14.6682 -14.6680 -13.8617 -13.8615 -11.5805 -11.5804 -11.2692 -11.2690 -3.7406 -3.7403 -2.7103 -2.7099 -0.1471 -0.1449 0.1797 0.1821 2.6931 2.6996 3.4758 3.4818 4.8794 4.8815 5.5714 5.5761 7.1651 7.1702 7.3315 7.3366 7.8363 7.8410 8.0411 8.0450 17.6308 17.6319 18.0015 18.0067 18.1023 18.1070 18.6527 18.6537 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0381-0.5755 ( 1400 PWs) bands (ev): -15.1695 -15.1693 -13.3931 -13.3928 -11.5219 -11.5216 -11.0840 -11.0838 -4.0620 -4.0613 -2.4902 -2.4891 -0.4108 -0.4076 0.4697 0.4707 2.5855 2.5936 3.5599 3.5667 5.0834 5.0870 5.5395 5.5437 6.7465 6.7534 7.0543 7.0650 7.8842 7.8954 7.9798 7.9858 17.2906 17.2918 18.1251 18.1304 18.4614 18.4660 18.8423 18.8458 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0381-0.4220 ( 1397 PWs) bands (ev): -15.7367 -15.7365 -12.8260 -12.8256 -11.3795 -11.3791 -10.8115 -10.8111 -4.4993 -4.4986 -2.1479 -2.1467 -0.7716 -0.7690 0.5024 0.5050 2.6122 2.6192 3.9713 3.9734 4.8986 4.9012 5.4652 5.4702 6.3179 6.3269 7.0226 7.0314 7.5912 7.6006 8.0015 8.0097 17.0725 17.0764 18.1356 18.1424 18.6571 18.6612 18.8485 18.8548 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0381-0.2686 ( 1399 PWs) bands (ev): -16.1873 -16.1871 -12.2526 -12.2521 -11.2163 -11.2158 -10.6376 -10.6371 -4.8467 -4.8461 -1.7876 -1.7867 -1.1986 -1.1963 0.2814 0.2853 2.7331 2.7375 3.8932 3.8972 5.2071 5.2132 5.4545 5.4610 5.8106 5.8147 7.1674 7.1804 7.5682 7.5808 7.9575 7.9757 16.8320 16.8370 17.9979 18.0057 18.3690 18.3723 19.0234 19.0263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0381-0.1151 ( 1402 PWs) bands (ev): -16.4554 -16.4553 -11.7467 -11.7462 -11.1411 -11.1408 -10.6218 -10.6214 -5.0407 -5.0402 -1.7161 -1.7152 -1.2960 -1.2942 0.0394 0.0425 2.7783 2.7817 3.5434 3.5459 5.0299 5.0337 5.7479 5.7514 6.1850 6.1885 6.9703 6.9779 7.7143 7.7289 8.0337 8.0505 16.4048 16.4076 18.0506 18.0566 18.2017 18.2055 18.9414 18.9446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.0381 0.0384 ( 1401 PWs) bands (ev): -16.5105 -16.5104 -11.5909 -11.5904 -11.1556 -11.1554 -10.6355 -10.6351 -5.0785 -5.0780 -1.7725 -1.7715 -1.2352 -1.2340 -0.0247 -0.0223 2.7751 2.7784 3.4619 3.4643 4.9402 4.9431 5.9113 5.9143 6.2000 6.2041 7.0262 7.0298 7.7057 7.7112 8.0675 8.0749 16.2734 16.2757 18.1086 18.1128 18.1640 18.1689 18.8625 18.8651 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0883 0.2878 ( 1403 PWs) bands (ev): -16.0851 -16.0850 -12.3326 -12.3321 -11.2761 -11.2759 -10.8196 -10.8193 -4.5941 -4.5935 -1.8292 -1.8282 -0.9179 -0.9161 0.1592 0.1618 2.9234 2.9276 3.7588 3.7620 4.9253 4.9268 5.2004 5.2049 6.1556 6.1578 7.1180 7.1277 7.7141 7.7239 8.0195 8.0329 17.0150 17.0196 17.8331 17.8388 17.9966 18.0000 18.9470 18.9503 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0883 0.4412 ( 1400 PWs) bands (ev): -15.6153 -15.6152 -12.9091 -12.9087 -11.4401 -11.4398 -10.9088 -10.9085 -4.3863 -4.3856 -2.2564 -2.2553 -0.6830 -0.6806 0.4745 0.4757 2.8529 2.8603 3.4489 3.4518 5.1332 5.1383 5.3827 5.3891 6.5147 6.5204 7.3186 7.3296 7.6439 7.6507 7.9151 7.9255 17.2030 17.2061 18.0173 18.0218 18.2889 18.2929 18.7451 18.7497 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0883 0.5947 ( 1400 PWs) bands (ev): -15.0340 -15.0338 -13.4886 -13.4883 -11.5371 -11.5369 -11.1328 -11.1327 -4.0160 -4.0152 -2.6687 -2.6676 -0.5254 -0.5227 0.2672 0.2683 2.9259 2.9338 3.3403 3.3479 5.3804 5.3853 5.7089 5.7118 6.9827 6.9846 7.2183 7.2293 7.7698 7.7782 7.8894 7.8934 17.4606 17.4619 18.0085 18.0110 18.3181 18.3229 18.5077 18.5124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0883 0.7482 ( 1405 PWs) bands (ev): -14.5334 -14.5332 -13.9657 -13.9655 -11.5371 -11.5370 -11.3035 -11.3034 -3.6811 -3.6807 -2.9725 -2.9720 -0.3500 -0.3477 -0.1361 -0.1339 3.0698 3.0778 3.4539 3.4629 5.3270 5.3315 5.7834 5.7873 7.3190 7.3226 7.3801 7.3856 7.7631 7.7657 7.8273 7.8294 17.8317 17.8322 17.8795 17.8811 18.0262 18.0268 18.3342 18.3347 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0883 0.9016 ( 1404 PWs) bands (ev): -14.8848 -14.8846 -13.6302 -13.6299 -11.5440 -11.5438 -11.1906 -11.1905 -3.9112 -3.9104 -2.7656 -2.7646 -0.4873 -0.4847 0.1551 0.1565 2.9689 2.9768 3.3740 3.3821 5.3754 5.3802 5.7539 5.7565 7.0766 7.0789 7.2657 7.2776 7.7862 7.7938 7.8710 7.8735 17.5505 17.5515 17.9664 17.9684 18.2689 18.2726 18.4450 18.4484 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0883-0.4796 ( 1401 PWs) bands (ev): -15.4769 -15.4767 -13.0544 -13.0541 -11.4736 -11.4734 -10.9575 -10.9573 -4.3071 -4.3064 -2.3616 -2.3605 -0.6371 -0.6346 0.4756 0.4763 2.8549 2.8627 3.3688 3.3733 5.2322 5.2379 5.4687 5.4752 6.6314 6.6374 7.2866 7.2967 7.6622 7.6697 7.9135 7.9219 17.2523 17.2549 18.0461 18.0502 18.3327 18.3373 18.6881 18.6933 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0883-0.3261 ( 1407 PWs) bands (ev): -15.9824 -15.9823 -12.4751 -12.4746 -11.3186 -11.3183 -10.8236 -10.8233 -4.5574 -4.5568 -1.9359 -1.9349 -0.8551 -0.8532 0.2705 0.2729 2.9000 2.9051 3.7324 3.7349 4.9518 4.9528 5.1668 5.1718 6.2260 6.2291 7.1922 7.2024 7.7075 7.7181 7.9777 7.9924 17.0730 17.0776 17.8739 17.8794 18.0668 18.0705 18.9035 18.9070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0883-0.1727 ( 1406 PWs) bands (ev): -16.3234 -16.3234 -11.9264 -11.9259 -11.1669 -11.1667 -10.8805 -10.8801 -4.6600 -4.6595 -1.5270 -1.5260 -1.0815 -1.0795 -0.2038 -0.2010 2.9557 2.9578 3.6468 3.6493 4.8059 4.8095 5.6625 5.6660 6.0635 6.0656 6.9413 6.9495 7.6943 7.7017 8.0598 8.0699 16.7560 16.7589 17.8150 17.8195 17.8881 17.8910 19.0218 19.0248 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0883-0.0192 ( 1411 PWs) bands (ev): -16.4600 -16.4600 -11.5568 -11.5563 -11.1468 -11.1467 -10.9985 -10.9981 -4.6866 -4.6863 -1.3192 -1.3182 -1.1197 -1.1190 -0.5314 -0.5297 2.9281 2.9288 3.5056 3.5069 4.7643 4.7669 5.9812 5.9827 6.1069 6.1089 7.0874 7.0897 7.6384 7.6408 7.9039 7.9074 16.4979 16.4990 17.9014 17.9026 17.9110 17.9137 18.9654 18.9670 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.0883 0.1343 ( 1405 PWs) bands (ev): -16.3777 -16.3777 -11.8048 -11.8043 -11.1436 -11.1433 -10.9185 -10.9182 -4.6714 -4.6710 -1.4421 -1.4410 -1.1163 -1.1141 -0.3154 -0.3127 2.9505 2.9522 3.5957 3.5978 4.7855 4.7891 5.7941 5.7976 6.0833 6.0855 6.9332 6.9403 7.6829 7.6899 8.0295 8.0389 16.6638 16.6660 17.8384 17.8422 17.8845 17.8872 19.0203 19.0230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2147 0.3837 ( 1403 PWs) bands (ev): -15.6199 -15.6198 -12.8871 -12.8868 -11.4904 -11.4903 -10.9914 -10.9912 -4.1708 -4.1703 -1.9619 -1.9611 -0.6564 -0.6549 0.2817 0.2826 3.1856 3.1874 3.2333 3.2386 4.7930 4.7946 5.1836 5.1841 6.5599 6.5621 7.1779 7.1788 7.7841 7.7902 8.0698 8.0723 17.2310 17.2325 17.8282 17.8292 17.9371 17.9401 18.7795 18.7815 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2147 0.5371 ( 1403 PWs) bands (ev): -15.1048 -15.1046 -13.4141 -13.4137 -11.5786 -11.5784 -11.1024 -11.1022 -4.0141 -4.0136 -2.4453 -2.4445 -0.5674 -0.5651 0.1995 0.2004 2.9828 2.9888 3.3175 3.3267 5.1542 5.1590 5.6333 5.6357 6.9529 6.9559 7.3218 7.3235 7.8323 7.8336 7.8473 7.8534 17.4144 17.4150 18.0293 18.0295 18.1508 18.1520 18.4885 18.4901 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2147 0.6906 ( 1398 PWs) bands (ev): -14.5308 -14.5306 -13.9603 -13.9601 -11.5207 -11.5206 -11.3251 -11.3249 -3.5983 -3.5976 -3.0156 -3.0148 -0.4827 -0.4805 -0.2259 -0.2240 3.2449 3.2543 3.4027 3.4122 5.5049 5.5096 5.7891 5.7923 7.3417 7.3429 7.4052 7.4159 7.6904 7.6964 7.7535 7.7559 17.7518 17.7521 17.9727 17.9741 18.0365 18.0366 18.1973 18.1978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2147-0.2302 ( 1410 PWs) bands (ev): -16.0056 -16.0056 -12.4013 -12.4010 -11.3307 -11.3305 -11.0381 -11.0378 -4.1606 -4.1602 -1.5427 -1.5419 -0.7838 -0.7835 -0.1739 -0.1723 3.1596 3.1606 3.7058 3.7085 4.6347 4.6377 5.1866 5.1894 6.2394 6.2397 6.9282 6.9289 7.6739 7.6781 8.0935 8.0954 17.2309 17.2348 17.5610 17.5622 17.5999 17.6058 18.9750 18.9768 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.2147-0.0767 ( 1415 PWs) bands (ev): -16.2110 -16.2110 -12.0513 -12.0511 -11.2086 -11.2085 -11.1631 -11.1630 -4.1333 -4.1331 -1.1637 -1.1629 -0.8487 -0.8486 -0.6983 -0.6970 2.9962 2.9966 3.7764 3.7777 4.7704 4.7728 5.8453 5.8469 6.0177 6.0186 6.8326 6.8329 7.6048 7.6063 7.7289 7.7301 17.0697 17.0707 17.5772 17.5781 17.5798 17.5817 18.9608 18.9617 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3412 0.4796 ( 1404 PWs) bands (ev): -15.1267 -15.1265 -13.4598 -13.4596 -11.5553 -11.5552 -11.1162 -11.1160 -3.9609 -3.9605 -2.1020 -2.1013 -0.4004 -0.3983 0.1838 0.1852 2.7295 2.7340 3.5814 3.5893 4.6875 4.6926 5.4083 5.4103 6.6958 6.7029 7.2834 7.2925 7.8606 7.8687 8.0576 8.0682 17.3160 17.3169 17.9544 17.9580 18.1571 18.1599 18.7546 18.7567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3412 0.6331 ( 1399 PWs) bands (ev): -14.7996 -14.7994 -13.7217 -13.7214 -11.5587 -11.5586 -11.2093 -11.2092 -3.8718 -3.8712 -2.7122 -2.7113 -0.4261 -0.4235 0.0646 0.0664 2.9278 2.9351 3.4552 3.4639 5.2263 5.2313 5.7591 5.7622 7.0978 7.1027 7.3015 7.3127 7.8212 7.8273 7.8788 7.8860 17.6471 17.6482 17.8665 17.8688 18.2392 18.2404 18.4584 18.4593 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3412 0.7865 ( 1403 PWs) bands (ev): -14.6791 -14.6789 -13.8140 -13.8136 -11.5183 -11.5181 -11.2877 -11.2875 -3.7097 -3.7088 -3.0439 -3.0428 -0.4656 -0.4633 0.0178 0.0193 3.1565 3.1668 3.3121 3.3205 5.5744 5.5786 5.7085 5.7115 7.2569 7.2577 7.3590 7.3703 7.7293 7.7351 7.8188 7.8226 17.6145 17.6146 18.0848 18.0885 18.1397 18.1452 18.2521 18.2553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3412 0.9400 ( 1402 PWs) bands (ev): -14.8700 -14.8698 -13.6672 -13.6670 -11.5682 -11.5680 -11.1779 -11.1778 -3.9198 -3.9192 -2.5583 -2.5575 -0.4095 -0.4068 0.0952 0.0971 2.8474 2.8541 3.4945 3.5033 5.0886 5.0939 5.7057 5.7087 7.0175 7.0237 7.2846 7.2952 7.8461 7.8536 7.9165 7.9271 17.5921 17.5927 17.8704 17.8726 18.2637 18.2640 18.5243 18.5249 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3412 1.0935 ( 1400 PWs) bands (ev): -15.2184 -15.2183 -13.3806 -13.3804 -11.5379 -11.5377 -11.1099 -11.1097 -3.9416 -3.9412 -1.9650 -1.9644 -0.4156 -0.4138 0.1850 0.1861 2.7647 2.7682 3.5994 3.6065 4.5746 4.5792 5.2979 5.2996 6.5728 6.5797 7.2769 7.2856 7.8530 7.8606 8.0988 8.1084 17.2340 17.2350 17.8933 17.8971 18.1331 18.1362 18.8344 18.8366 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3412-0.2878 ( 1408 PWs) bands (ev): -15.5600 -15.5600 -13.0490 -13.0488 -11.4325 -11.4322 -11.1424 -11.1421 -3.7772 -3.7766 -1.5384 -1.5379 -0.5242 -0.5238 -0.0563 -0.0558 3.2992 3.3019 3.5451 3.5477 4.3792 4.3813 5.0280 5.0309 6.0850 6.0900 7.1380 7.1462 7.7866 7.7911 8.1427 8.1479 17.0419 17.0434 17.4542 17.4568 18.0379 18.0392 19.0803 19.0825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3412-0.1343 ( 1416 PWs) bands (ev): -15.7916 -15.7915 -12.7789 -12.7787 -11.3312 -11.3308 -11.2083 -11.2079 -3.6289 -3.6283 -1.3569 -1.3563 -0.5760 -0.5754 -0.3824 -0.3819 3.2253 3.2273 3.9070 3.9106 4.5933 4.5949 5.3139 5.3165 5.7422 5.7448 6.8284 6.8351 7.7084 7.7108 7.9264 7.9275 17.0767 17.0777 17.2517 17.2538 17.8033 17.8044 19.0097 19.0112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3412 0.0192 ( 1416 PWs) bands (ev): -15.8588 -15.8587 -12.6913 -12.6912 -11.2866 -11.2865 -11.2445 -11.2444 -3.5878 -3.5875 -1.3498 -1.3497 -0.5569 -0.5564 -0.4799 -0.4795 3.1226 3.1238 3.9648 3.9669 4.7873 4.7900 5.4672 5.4702 5.8743 5.8754 6.5500 6.5519 7.6781 7.6805 7.7808 7.7817 17.1778 17.1791 17.2075 17.2090 17.6987 17.6996 18.8437 18.8446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3412 0.1727 ( 1413 PWs) bands (ev): -15.7477 -15.7477 -12.8337 -12.8334 -11.3529 -11.3525 -11.1924 -11.1921 -3.6568 -3.6561 -1.3771 -1.3765 -0.5748 -0.5742 -0.3183 -0.3179 3.2844 3.2865 3.8356 3.8392 4.5059 4.5075 5.1950 5.1983 5.7989 5.8021 6.9216 6.9291 7.7256 7.7280 7.9962 7.9981 17.0503 17.0515 17.2757 17.2779 17.8612 17.8622 19.0686 19.0704 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500 0.3412 0.3261 ( 1406 PWs) bands (ev): -15.4818 -15.4817 -13.1310 -13.1307 -11.4614 -11.4612 -11.1280 -11.1278 -3.8240 -3.8235 -1.6248 -1.6243 -0.4958 -0.4952 0.0326 0.0330 3.1337 3.1353 3.5753 3.5782 4.3846 4.3871 5.0538 5.0562 6.2010 6.2066 7.1897 7.1979 7.8069 7.8122 8.1563 8.1626 17.0675 17.0690 17.5535 17.5563 18.0817 18.0833 19.0365 19.0387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5439-0.1918 ( 1400 PWs) bands (ev): -15.1695 -15.1693 -13.3931 -13.3928 -11.5219 -11.5216 -11.0840 -11.0838 -4.0620 -4.0613 -2.4902 -2.4891 -0.4108 -0.4076 0.4697 0.4707 2.5855 2.5936 3.5599 3.5667 5.0834 5.0870 5.5395 5.5438 6.7465 6.7534 7.0543 7.0650 7.8842 7.8954 7.9798 7.9858 17.2906 17.2918 18.1251 18.1304 18.4614 18.4660 18.8423 18.8458 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5439-0.0384 ( 1398 PWs) bands (ev): -15.1975 -15.1972 -13.2840 -13.2836 -11.4981 -11.4979 -11.1104 -11.1102 -4.1025 -4.1015 -2.9462 -2.9451 -0.4662 -0.4632 0.6046 0.6050 2.5695 2.5787 3.5280 3.5358 5.4410 5.4430 5.7804 5.7838 6.9695 6.9723 7.1600 7.1700 7.7515 7.7568 7.8337 7.8393 17.3159 17.3176 18.1806 18.1850 18.4549 18.4632 18.5888 18.5963 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5439 0.1151 ( 1400 PWs) bands (ev): -15.1861 -15.1859 -13.3257 -13.3253 -11.5082 -11.5079 -11.0979 -11.0977 -4.1002 -4.0993 -2.7747 -2.7736 -0.4446 -0.4415 0.5583 0.5590 2.5697 2.5784 3.5383 3.5458 5.2982 5.3015 5.7192 5.7235 6.8723 6.8766 7.1073 7.1169 7.8039 7.8134 7.9044 7.9087 17.3406 17.3424 18.1354 18.1401 18.4367 18.4434 18.7176 18.7237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5439 0.2686 ( 1401 PWs) bands (ev): -15.1586 -15.1584 -13.4608 -13.4605 -11.5357 -11.5353 -11.0774 -11.0771 -3.9691 -3.9686 -2.1580 -2.1569 -0.3852 -0.3822 0.3502 0.3518 2.6445 2.6514 3.5858 3.5915 4.8392 4.8421 5.3033 5.3061 6.5421 6.5498 7.0928 7.1038 7.9263 7.9343 8.0608 8.0653 17.1214 17.1219 18.1603 18.1669 18.4170 18.4229 18.9988 19.0016 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5439 0.4220 ( 1404 PWs) bands (ev): -15.1943 -15.1942 -13.5079 -13.5078 -11.5590 -11.5585 -11.0938 -11.0933 -3.6624 -3.6619 -1.5594 -1.5587 -0.4483 -0.4464 0.1004 0.1035 2.9823 2.9848 3.5932 3.5958 4.3561 4.3595 5.0941 5.0959 5.9853 5.9918 7.2613 7.2724 7.8194 7.8242 8.1975 8.2009 16.7338 16.7345 17.7322 17.7344 18.5291 18.5311 19.3110 19.3152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5439-0.9592 ( 1410 PWs) bands (ev): -15.2942 -15.2942 -13.4312 -13.4311 -11.5353 -11.5348 -11.1662 -11.1658 -3.3344 -3.3336 -1.3897 -1.3886 -0.4847 -0.4825 -0.0844 -0.0812 3.2655 3.2685 3.9281 3.9322 3.9653 3.9666 5.3175 5.3233 5.5244 5.5275 7.1906 7.1999 7.6741 7.6789 8.1705 8.1735 16.6056 16.6062 17.2712 17.2729 18.4601 18.4618 19.2986 19.2998 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5439-0.8057 ( 1409 PWs) bands (ev): -15.3623 -15.3623 -13.3618 -13.3617 -11.4242 -11.4239 -11.3018 -11.3016 -3.1261 -3.1254 -1.5794 -1.5789 -0.3492 -0.3480 -0.1699 -0.1688 3.3770 3.3797 3.6421 3.6441 4.5309 4.5328 4.9926 4.9949 6.0085 6.0121 6.6686 6.6716 7.7947 7.7987 8.0066 8.0081 16.7939 16.7952 16.9645 16.9658 18.3072 18.3088 18.9835 18.9843 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5439-0.6522 ( 1408 PWs) bands (ev): -15.3378 -15.3378 -13.3874 -13.3872 -11.4874 -11.4870 -11.2305 -11.2301 -3.2046 -3.2037 -1.4899 -1.4891 -0.4087 -0.4073 -0.1410 -0.1386 3.3124 3.3149 3.7805 3.7837 4.2763 4.2786 5.1523 5.1563 5.7394 5.7434 6.9435 6.9491 7.7224 7.7254 8.0922 8.0950 16.6714 16.6723 17.1083 17.1100 18.3710 18.3728 19.1192 19.1202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5439-0.4988 ( 1410 PWs) bands (ev): -15.2417 -15.2416 -13.4781 -13.4780 -11.5577 -11.5572 -11.1208 -11.1204 -3.4921 -3.4913 -1.3957 -1.3947 -0.5028 -0.5005 -0.0023 0.0010 3.1849 3.1872 3.6647 3.6698 4.1464 4.1500 5.1991 5.2024 5.6979 5.7033 7.2931 7.3049 7.7146 7.7207 8.2089 8.2120 16.6255 16.6261 17.4776 17.4793 18.5245 18.5261 19.3748 19.3781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.5439-0.3453 ( 1409 PWs) bands (ev): -15.1649 -15.1648 -13.5035 -13.5034 -11.5490 -11.5485 -11.0805 -11.0801 -3.8288 -3.8284 -1.8320 -1.8311 -0.3945 -0.3922 0.2205 0.2229 2.7751 2.7803 3.5974 3.6014 4.5902 4.5930 5.1290 5.1297 6.2771 6.2843 7.1792 7.1900 7.9008 7.9058 8.1422 8.1458 16.9122 16.9128 17.9993 18.0030 18.4675 18.4709 19.1702 19.1739 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4175-0.0959 ( 1402 PWs) bands (ev): -15.6770 -15.6768 -12.7558 -12.7554 -11.4300 -11.4297 -10.9041 -10.9038 -4.4428 -4.4418 -2.7555 -2.7543 -0.5853 -0.5818 0.7772 0.7785 2.1799 2.1884 4.1729 4.1781 5.0775 5.0785 5.9049 5.9074 6.5721 6.5757 6.9690 6.9774 7.6223 7.6293 7.7800 7.7848 17.0379 17.0412 18.2438 18.2490 18.7230 18.7314 18.8791 18.8903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4175 0.0576 ( 1401 PWs) bands (ev): -15.6963 -15.6961 -12.7177 -12.7172 -11.4174 -11.4171 -10.9058 -10.9056 -4.4762 -4.4751 -2.8240 -2.8229 -0.5802 -0.5766 0.8172 0.8185 2.1406 2.1491 4.1770 4.1819 5.1151 5.1160 5.9402 5.9416 6.6436 6.6454 7.0152 7.0252 7.5890 7.5948 7.7199 7.7251 17.0154 17.0187 18.2528 18.2574 18.7354 18.7450 18.8446 18.8560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4175 0.2110 ( 1405 PWs) bands (ev): -15.5660 -15.5658 -12.9584 -12.9580 -11.5021 -11.5016 -10.8995 -10.8990 -4.2510 -4.2503 -2.3820 -2.3808 -0.6250 -0.6220 0.5905 0.5924 2.3832 2.3912 4.1039 4.1105 4.9386 4.9411 5.5373 5.5416 6.4990 6.5061 6.7346 6.7391 7.7580 7.7667 7.9936 7.9988 17.0104 17.0127 18.2740 18.2812 18.7155 18.7209 18.9858 18.9940 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4175 0.3645 ( 1397 PWs) bands (ev): -15.3236 -15.3234 -13.3276 -13.3272 -11.6346 -11.6340 -10.9294 -10.9289 -3.8433 -3.8430 -1.6883 -1.6872 -0.7578 -0.7559 0.3424 0.3463 2.7755 2.7821 3.6945 3.6989 4.8190 4.8225 5.0636 5.0662 6.1514 6.1559 6.8239 6.8307 7.8565 7.8651 8.2212 8.2264 16.6391 16.6397 18.1620 18.1648 18.7848 18.7881 19.2658 19.2719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4175 0.5180 ( 1405 PWs) bands (ev): -15.0507 -15.0505 -13.6669 -13.6667 -11.6990 -11.6985 -11.0565 -11.0560 -3.3692 -3.3685 -1.4067 -1.4059 -0.6642 -0.6622 0.1733 0.1777 3.0447 3.0462 3.3696 3.3720 4.4247 4.4265 5.3535 5.3556 5.7135 5.7181 7.1670 7.1749 7.6882 7.6956 8.3197 8.3243 16.4005 16.4008 17.6502 17.6515 18.9073 18.9079 19.5234 19.5310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4175-0.8633 ( 1407 PWs) bands (ev): -14.8568 -14.8567 -13.8773 -13.8772 -11.6050 -11.6046 -11.2881 -11.2878 -2.9002 -2.8994 -1.7826 -1.7819 -0.2723 -0.2711 0.0342 0.0371 3.0003 3.0030 3.4801 3.4854 4.3892 4.3919 4.9840 4.9867 6.2204 6.2254 7.0741 7.0787 7.7083 7.7112 8.1880 8.1920 16.5762 16.5772 17.1743 17.1759 18.7671 18.7689 19.2347 19.2368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4175-0.7098 ( 1413 PWs) bands (ev): -14.8326 -14.8325 -13.9023 -13.9023 -11.5587 -11.5583 -11.3515 -11.3512 -2.8103 -2.8096 -1.8710 -1.8703 -0.2144 -0.2131 0.0072 0.0096 3.0331 3.0358 3.4488 3.4534 4.4273 4.4295 4.9120 4.9138 6.3785 6.3835 6.9338 6.9379 7.7997 7.8035 8.1206 8.1240 16.6749 16.6760 17.0554 17.0569 18.7341 18.7357 19.1635 19.1650 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4175-0.5563 ( 1405 PWs) bands (ev): -14.9905 -14.9903 -13.7343 -13.7342 -11.6917 -11.6912 -11.1066 -11.1061 -3.2478 -3.2470 -1.4779 -1.4773 -0.5549 -0.5533 0.1362 0.1404 3.0105 3.0111 3.4218 3.4255 4.3773 4.3801 5.2876 5.2897 5.7843 5.7888 7.2378 7.2463 7.6195 7.6267 8.3108 8.3154 16.4044 16.4049 17.5277 17.5291 18.8895 18.8903 19.5053 19.5091 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4175-0.4029 ( 1398 PWs) bands (ev): -15.2542 -15.2540 -13.4200 -13.4197 -11.6619 -11.6614 -10.9503 -10.9497 -3.7277 -3.7274 -1.5342 -1.5333 -0.7900 -0.7881 0.2946 0.2989 2.8816 2.8877 3.5587 3.5622 4.6926 4.6953 5.1418 5.1445 6.0099 6.0141 6.9058 6.9128 7.8422 7.8503 8.2619 8.2669 16.5481 16.5484 18.0388 18.0405 18.8404 18.8428 19.3514 19.3580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.4175-0.2494 ( 1402 PWs) bands (ev): -15.5135 -15.5132 -13.0458 -13.0454 -11.5346 -11.5341 -10.9010 -10.9005 -4.1613 -4.1607 -2.2171 -2.2159 -0.6496 -0.6470 0.5218 0.5242 2.4716 2.4794 4.0395 4.0460 4.9190 4.9219 5.3571 5.3612 6.4872 6.4936 6.6777 6.6816 7.7994 7.8084 8.0588 8.0643 16.9389 16.9407 18.3132 18.3208 18.6903 18.6961 19.0394 19.0466 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.2910 0.0000 ( 1394 PWs) bands (ev): -16.1234 -16.1233 -12.1674 -12.1669 -11.3061 -11.3059 -10.6851 -10.6849 -4.8724 -4.8715 -2.6207 -2.6197 -0.8676 -0.8645 0.7072 0.7095 2.1247 2.1320 4.2136 4.2160 5.4437 5.4516 5.8187 5.8220 6.4231 6.4285 7.1007 7.1102 7.3692 7.3706 7.6339 7.6371 16.6390 16.6428 18.3429 18.3465 18.7187 18.7284 18.8508 18.8572 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.2910 0.1535 ( 1403 PWs) bands (ev): -16.0265 -16.0263 -12.3469 -12.3465 -11.3825 -11.3821 -10.6821 -10.6816 -4.7093 -4.7086 -2.3826 -2.3814 -0.9479 -0.9454 0.6127 0.6156 2.2652 2.2721 4.3276 4.3299 5.2052 5.2114 5.8480 5.8516 6.0632 6.0691 6.9823 6.9911 7.4742 7.4810 7.7955 7.8020 16.7873 16.7913 18.2686 18.2747 18.7476 18.7527 18.9118 18.9200 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.2910 0.3069 ( 1401 PWs) bands (ev): -15.7492 -15.7490 -12.7771 -12.7767 -11.5562 -11.5557 -10.7316 -10.7310 -4.2948 -4.2945 -1.7831 -1.7819 -1.1587 -1.1570 0.4673 0.4717 2.5338 2.5395 4.4796 4.4823 4.8049 4.8074 5.1643 5.1678 6.2789 6.2883 6.5720 6.5796 7.7275 7.7346 8.0538 8.0591 16.7338 16.7363 18.4906 18.4968 18.7721 18.7764 18.8677 18.8741 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.2910 0.4604 ( 1398 PWs) bands (ev): -15.3321 -15.3319 -13.2951 -13.2947 -11.6992 -11.6987 -10.9070 -10.9064 -3.7575 -3.7572 -1.6160 -1.6151 -0.8962 -0.8948 0.3571 0.3615 2.7413 2.7473 3.7191 3.7221 4.8394 4.8425 5.1505 5.1534 6.0914 6.0947 6.7346 6.7377 7.8403 7.8469 8.2574 8.2622 16.5282 16.5287 18.1437 18.1454 18.9590 18.9614 19.2121 19.2178 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.2910 0.6139 ( 1407 PWs) bands (ev): -14.8380 -14.8377 -13.8158 -13.8155 -11.6965 -11.6961 -11.1999 -11.1995 -3.1632 -3.1626 -2.0267 -2.0259 -0.2889 -0.2874 0.2267 0.2289 2.8125 2.8189 3.2619 3.2670 4.7218 4.7263 5.0119 5.0181 6.3709 6.3762 7.1894 7.1930 7.7219 7.7260 8.2638 8.2684 16.6517 16.6527 17.6642 17.6667 18.9679 18.9703 19.2238 19.2299 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.2910-0.7673 ( 1418 PWs) bands (ev): -14.3261 -14.3261 -14.3257 -14.3257 -11.5080 -11.5080 -11.5076 -11.5076 -2.5591 -2.5591 -2.5582 -2.5582 0.0364 0.0364 0.0420 0.0420 3.0050 3.0050 3.0169 3.0169 4.7441 4.7442 4.7490 4.7490 6.9865 6.9865 6.9984 6.9984 7.9665 7.9665 7.9744 7.9744 17.1315 17.1315 17.1352 17.1352 18.9383 18.9383 18.9442 18.9442 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1646 0.0959 ( 1397 PWs) bands (ev): -16.3599 -16.3598 -11.8809 -11.8804 -11.2297 -11.2294 -10.5333 -10.5329 -5.0784 -5.0777 -2.1564 -2.1554 -1.1848 -1.1828 0.3997 0.4027 2.4668 2.4723 3.7962 3.7992 5.4333 5.4365 5.7122 5.7175 6.1932 6.1982 7.0802 7.0862 7.5618 7.5795 7.7910 7.8101 16.4373 16.4408 18.2279 18.2329 18.4859 18.4899 18.8923 18.8965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1646 0.2494 ( 1400 PWs) bands (ev): -16.1258 -16.1256 -12.3061 -12.3057 -11.3341 -11.3336 -10.5789 -10.5783 -4.7907 -4.7902 -1.7665 -1.7654 -1.3891 -1.3871 0.4229 0.4272 2.5632 2.5681 4.1285 4.1319 5.3023 5.3088 5.4752 5.4773 5.8538 5.8608 7.1317 7.1434 7.3801 7.3861 7.9388 7.9492 16.7645 16.7692 18.1710 18.1785 18.6395 18.6446 18.9736 18.9750 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1646 0.4029 ( 1397 PWs) bands (ev): -15.7122 -15.7120 -12.8554 -12.8550 -11.4999 -11.4994 -10.7629 -10.7623 -4.3284 -4.3280 -1.8649 -1.8637 -0.9986 -0.9965 0.4607 0.4647 2.5778 2.5839 4.3416 4.3448 4.7660 4.7682 5.1869 5.1904 6.3386 6.3486 6.6374 6.6445 7.7045 7.7136 8.0738 8.0803 16.8239 16.8265 18.3966 18.4036 18.7470 18.7511 18.9288 18.9351 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1646 0.5563 ( 1402 PWs) bands (ev): -15.1774 -15.1771 -13.4178 -13.4175 -11.6101 -11.6097 -11.0664 -11.0660 -3.7904 -3.7898 -2.2193 -2.2181 -0.4013 -0.3984 0.4247 0.4262 2.5625 2.5708 3.6314 3.6392 4.9083 4.9109 5.2160 5.2201 6.4579 6.4644 6.9670 6.9744 7.8895 7.8965 8.1458 8.1499 16.9273 16.9276 18.1507 18.1561 18.6536 18.6582 19.1634 19.1690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1646 0.7098 ( 1410 PWs) bands (ev): -14.6508 -14.6506 -13.9236 -13.9234 -11.5877 -11.5874 -11.3534 -11.3531 -3.3405 -3.3401 -2.5262 -2.5256 -0.0277 -0.0251 0.2723 0.2745 2.6279 2.6338 3.3146 3.3195 4.6828 4.6855 5.1787 5.1832 6.9850 6.9912 7.2799 7.2854 7.8657 7.8685 8.1116 8.1145 17.2986 17.3000 17.7538 17.7566 18.5073 18.5089 18.9608 18.9628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1646-0.6714 ( 1402 PWs) bands (ev): -14.7647 -14.7645 -13.8144 -13.8141 -11.6046 -11.6042 -11.2953 -11.2950 -3.4262 -3.4256 -2.4646 -2.4637 -0.0977 -0.0945 0.3179 0.3198 2.6012 2.6081 3.3666 3.3734 4.7231 4.7253 5.1956 5.2002 6.8381 6.8444 7.2737 7.2796 7.8619 7.8620 8.1343 8.1378 17.1876 17.1887 17.8598 17.8634 18.5415 18.5439 19.0196 19.0225 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1646-0.5180 ( 1403 PWs) bands (ev): -15.3177 -15.3175 -13.2786 -13.2783 -11.5936 -11.5931 -10.9850 -10.9845 -3.9257 -3.9252 -2.1308 -2.1296 -0.5343 -0.5317 0.4442 0.4464 2.5638 2.5718 3.7730 3.7801 4.9421 4.9453 5.1968 5.2007 6.4066 6.4130 6.8277 6.8348 7.8715 7.8799 8.1342 8.1391 16.8769 16.8776 18.2401 18.2462 18.6722 18.6775 19.1522 19.1584 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1646-0.3645 ( 1399 PWs) bands (ev): -15.8298 -15.8296 -12.7144 -12.7140 -11.4591 -11.4586 -10.7027 -10.7021 -4.4550 -4.4546 -1.7833 -1.7821 -1.1566 -1.1545 0.4546 0.4589 2.5819 2.5874 4.4346 4.4373 4.7837 4.7866 5.2043 5.2076 6.2126 6.2219 6.7502 6.7576 7.6254 7.6341 8.0442 8.0513 16.8244 16.8277 18.3688 18.3754 18.7973 18.8005 18.8427 18.8487 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1646-0.2110 ( 1400 PWs) bands (ev): -16.2027 -16.2026 -12.1810 -12.1805 -11.2982 -11.2977 -10.5568 -10.5563 -4.8828 -4.8822 -1.8745 -1.8734 -1.3410 -1.3391 0.4136 0.4176 2.5428 2.5478 4.0223 4.0256 5.3920 5.3982 5.6149 5.6203 5.8204 5.8254 7.1985 7.2121 7.3484 7.3542 7.9019 7.9140 16.6987 16.7032 18.1427 18.1500 18.5990 18.6037 18.9833 18.9856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2500-0.1646-0.0576 ( 1401 PWs) bands (ev): -16.3865 -16.3864 -11.8208 -11.8203 -11.2209 -11.2207 -10.5331 -10.5328 -5.1126 -5.1119 -2.2091 -2.2081 -1.1537 -1.1517 0.3988 0.4015 2.4485 2.4541 3.7570 3.7599 5.3918 5.3951 5.7936 5.7989 6.2456 6.2512 7.0643 7.0684 7.6210 7.6413 7.7534 7.7745 16.3742 16.3776 18.2731 18.2768 18.4554 18.4607 18.8564 18.8606 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.0572 0.2878 ( 1398 PWs) bands (ev): -15.8224 -15.8222 -12.8683 -12.8680 -11.2134 -11.2131 -10.7987 -10.7983 -4.5793 -4.5787 -1.6195 -1.6190 -0.8187 -0.8158 0.2083 0.2123 3.0793 3.0834 4.0589 4.0650 4.3886 4.3937 5.0880 5.0892 5.9227 5.9313 7.2506 7.2672 7.5942 7.5998 8.0988 8.1122 17.2023 17.2079 17.9631 17.9705 18.3663 18.3675 19.0563 19.0582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.0572 0.4412 ( 1402 PWs) bands (ev): -15.4990 -15.4989 -13.2494 -13.2492 -11.3184 -11.3180 -10.8814 -10.8811 -4.4087 -4.4084 -1.7436 -1.7427 -0.5368 -0.5343 0.2486 0.2513 3.0698 3.0763 3.6476 3.6521 4.6341 4.6393 4.8997 4.9051 6.5837 6.5928 6.7944 6.7996 7.8042 7.8160 8.1047 8.1136 17.1610 17.1633 18.1788 18.1837 18.6254 18.6280 18.8541 18.8557 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.0572 0.5947 ( 1401 PWs) bands (ev): -15.2122 -15.2120 -13.4373 -13.4371 -11.4813 -11.4811 -11.0507 -11.0505 -4.1042 -4.1038 -1.9916 -1.9907 -0.3831 -0.3805 0.1968 0.1984 2.7929 2.7972 3.5495 3.5567 4.7486 4.7537 5.2851 5.2870 6.5257 6.5346 7.1944 7.2070 7.9367 7.9439 8.0073 8.0204 17.2407 17.2413 18.0537 18.0572 18.3011 18.3034 18.8588 18.8614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.0572 0.7482 ( 1402 PWs) bands (ev): -15.0900 -15.0899 -13.4620 -13.4617 -11.5945 -11.5944 -11.1463 -11.1461 -3.8846 -3.8842 -2.1606 -2.1601 -0.4237 -0.4221 0.1820 0.1833 2.7171 2.7218 3.5972 3.6055 4.6401 4.6447 5.4549 5.4580 6.8990 6.9034 7.2110 7.2140 7.8487 7.8554 8.0792 8.0825 17.3616 17.3619 17.9413 17.9430 18.0484 18.0499 18.6820 18.6832 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.0572 0.9016 ( 1399 PWs) bands (ev): -15.1634 -15.1633 -13.4528 -13.4526 -11.5210 -11.5208 -11.0872 -11.0870 -4.0274 -4.0270 -2.0509 -2.0501 -0.3872 -0.3848 0.1881 0.1896 2.7521 2.7564 3.5663 3.5739 4.7212 4.7265 5.3582 5.3596 6.5933 6.6014 7.2632 7.2744 7.8913 7.8991 8.0362 8.0487 17.2788 17.2796 17.9964 17.9999 18.2270 18.2297 18.8096 18.8121 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.0572-0.4796 ( 1405 PWs) bands (ev): -15.4177 -15.4176 -13.3169 -13.3167 -11.3565 -11.3561 -10.9211 -10.9208 -4.3408 -4.3404 -1.8016 -1.8006 -0.4743 -0.4718 0.2405 0.2427 3.0087 3.0148 3.5702 3.5755 4.7175 4.7222 4.9646 4.9694 6.6079 6.6157 6.8222 6.8319 7.8632 7.8756 8.0775 8.0857 17.1662 17.1679 18.1814 18.1856 18.5562 18.5577 18.8764 18.8783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.0572-0.3261 ( 1398 PWs) bands (ev): -15.7463 -15.7462 -12.9766 -12.9763 -11.2301 -11.2297 -10.8065 -10.8062 -4.5527 -4.5523 -1.6265 -1.6259 -0.7558 -0.7529 0.2255 0.2294 3.1010 3.1054 4.0597 4.0628 4.3224 4.3248 4.9870 4.9893 6.0817 6.0911 7.1566 7.1701 7.6274 7.6350 8.1162 8.1281 17.1905 17.1952 18.0378 18.0444 18.4666 18.4686 19.0048 19.0063 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.0572-0.1727 ( 1401 PWs) bands (ev): -16.0079 -16.0078 -12.5288 -12.5284 -11.2227 -11.2224 -10.8085 -10.8082 -4.6043 -4.6037 -1.7210 -1.7201 -0.9131 -0.9107 0.1675 0.1709 2.9812 2.9854 3.8468 3.8510 4.7985 4.8016 5.2622 5.2680 5.8448 5.8499 7.2221 7.2361 7.6962 7.7086 8.0216 8.0406 17.1380 17.1443 17.8115 17.8193 18.1100 18.1124 19.0465 19.0498 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.0572-0.0192 ( 1406 PWs) bands (ev): -16.1191 -16.1189 -12.2254 -12.2249 -11.3213 -11.3212 -10.8242 -10.8239 -4.5848 -4.5842 -1.8899 -1.8890 -0.9141 -0.9128 0.1588 0.1609 2.8952 2.8994 3.7226 3.7252 4.9037 4.9053 5.2411 5.2441 6.3565 6.3580 7.0526 7.0552 7.6798 7.6840 8.0437 8.0478 16.9387 16.9426 17.8870 17.8900 17.9239 17.9294 18.8809 18.8839 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.0572 0.1343 ( 1400 PWs) bands (ev): -16.0517 -16.0516 -12.4239 -12.4234 -11.2466 -11.2463 -10.8148 -10.8144 -4.6003 -4.5997 -1.7772 -1.7763 -0.9182 -0.9161 0.1617 0.1647 2.9496 2.9538 3.7960 3.7997 4.8886 4.8907 5.2157 5.2210 5.9980 6.0014 7.1689 7.1810 7.7190 7.7317 8.0120 8.0299 17.0772 17.0826 17.8136 17.8204 18.0476 18.0505 18.9985 19.0019 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.0692 0.3837 ( 1393 PWs) bands (ev): -15.5632 -15.5631 -13.1249 -13.1247 -11.3276 -11.3274 -10.9458 -10.9456 -4.3308 -4.3303 -1.7417 -1.7408 -0.5203 -0.5183 0.1690 0.1706 3.2342 3.2400 3.4399 3.4465 4.5834 4.5879 5.0814 5.0875 6.1320 6.1407 7.2954 7.3100 7.7905 7.7989 8.0619 8.0770 17.2509 17.2531 17.9369 17.9412 18.1960 18.1995 18.9815 18.9846 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.0692 0.5371 ( 1403 PWs) bands (ev): -15.2188 -15.2187 -13.4184 -13.4182 -11.4630 -11.4628 -11.0179 -11.0178 -4.2252 -4.2247 -2.1307 -2.1297 -0.4342 -0.4315 0.1950 0.1961 2.9117 2.9160 3.3850 3.3944 5.0054 5.0115 5.4051 5.4080 6.8006 6.8100 7.0074 7.0194 7.8743 7.8816 7.9861 7.9917 17.4076 17.4080 17.9291 17.9299 18.5113 18.5144 18.6254 18.6288 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.0692 0.6906 ( 1402 PWs) bands (ev): -14.9941 -14.9939 -13.5379 -13.5376 -11.5639 -11.5637 -11.1324 -11.1323 -3.9879 -3.9874 -2.5087 -2.5078 -0.5270 -0.5245 0.1091 0.1105 2.9876 2.9941 3.3654 3.3752 5.2182 5.2239 5.7037 5.7055 6.9854 6.9907 7.2889 7.2991 7.7822 7.7889 7.8904 7.8978 17.5142 17.5150 17.9067 17.9073 18.2823 18.2854 18.4534 18.4568 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.0692-0.2302 ( 1413 PWs) bands (ev): -15.8748 -15.8747 -12.7155 -12.7151 -11.2279 -11.2276 -11.0044 -11.0043 -4.2682 -4.2675 -1.4751 -1.4744 -0.7183 -0.7156 -0.0953 -0.0923 3.2719 3.2747 3.8391 3.8440 4.4079 4.4113 5.2812 5.2870 5.5695 5.5734 7.2306 7.2443 7.7967 7.8070 8.0646 8.0817 17.2684 17.2735 17.6506 17.6563 17.7891 17.7916 19.1847 19.1883 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.0692-0.0767 ( 1415 PWs) bands (ev): -16.0522 -16.0521 -12.3567 -12.3564 -11.2660 -11.2658 -11.0662 -11.0660 -4.1687 -4.1682 -1.4335 -1.4327 -0.8074 -0.8059 -0.2893 -0.2872 3.1425 3.1437 3.7762 3.7793 4.6459 4.6491 5.3107 5.3140 6.0109 6.0130 6.9510 6.9589 7.6921 7.6956 8.0387 8.0442 17.2523 17.2578 17.5004 17.5055 17.5890 17.5922 19.0516 19.0539 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.1957 0.4796 ( 1404 PWs) bands (ev): -15.1267 -15.1265 -13.4598 -13.4596 -11.5553 -11.5552 -11.1162 -11.1160 -3.9609 -3.9605 -2.1020 -2.1013 -0.4004 -0.3983 0.1838 0.1852 2.7295 2.7340 3.5814 3.5893 4.6875 4.6926 5.4083 5.4103 6.6958 6.7029 7.2834 7.2925 7.8606 7.8687 8.0576 8.0682 17.3160 17.3169 17.9544 17.9580 18.1571 18.1599 18.7546 18.7567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.1957 0.6331 ( 1399 PWs) bands (ev): -14.7996 -14.7994 -13.7217 -13.7214 -11.5587 -11.5586 -11.2093 -11.2092 -3.8718 -3.8712 -2.7122 -2.7113 -0.4261 -0.4235 0.0646 0.0664 2.9278 2.9351 3.4552 3.4639 5.2263 5.2313 5.7591 5.7622 7.0978 7.1027 7.3015 7.3127 7.8212 7.8273 7.8788 7.8860 17.6471 17.6482 17.8665 17.8688 18.2392 18.2404 18.4584 18.4593 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.1957 0.7865 ( 1403 PWs) bands (ev): -14.6791 -14.6789 -13.8140 -13.8136 -11.5183 -11.5181 -11.2877 -11.2875 -3.7097 -3.7088 -3.0439 -3.0428 -0.4656 -0.4633 0.0178 0.0193 3.1565 3.1668 3.3121 3.3205 5.5744 5.5786 5.7085 5.7115 7.2569 7.2577 7.3590 7.3703 7.7293 7.7351 7.8188 7.8226 17.6145 17.6146 18.0848 18.0885 18.1396 18.1452 18.2521 18.2553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.1957 0.9400 ( 1402 PWs) bands (ev): -14.8700 -14.8698 -13.6672 -13.6670 -11.5682 -11.5680 -11.1779 -11.1778 -3.9198 -3.9192 -2.5583 -2.5575 -0.4095 -0.4068 0.0952 0.0971 2.8474 2.8541 3.4945 3.5033 5.0886 5.0939 5.7057 5.7087 7.0175 7.0237 7.2846 7.2952 7.8461 7.8536 7.9165 7.9271 17.5921 17.5927 17.8704 17.8726 18.2637 18.2640 18.5243 18.5249 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.1957 1.0935 ( 1400 PWs) bands (ev): -15.2184 -15.2183 -13.3806 -13.3804 -11.5379 -11.5377 -11.1099 -11.1097 -3.9416 -3.9412 -1.9650 -1.9644 -0.4156 -0.4138 0.1850 0.1861 2.7647 2.7682 3.5994 3.6065 4.5746 4.5792 5.2979 5.2996 6.5728 6.5797 7.2769 7.2856 7.8530 7.8606 8.0988 8.1084 17.2340 17.2350 17.8933 17.8971 18.1331 18.1362 18.8344 18.8366 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.1957-0.2878 ( 1408 PWs) bands (ev): -15.5600 -15.5600 -13.0490 -13.0488 -11.4325 -11.4322 -11.1424 -11.1421 -3.7772 -3.7766 -1.5384 -1.5379 -0.5242 -0.5238 -0.0563 -0.0558 3.2992 3.3019 3.5451 3.5477 4.3792 4.3813 5.0280 5.0309 6.0850 6.0900 7.1380 7.1462 7.7866 7.7911 8.1427 8.1479 17.0419 17.0434 17.4542 17.4568 18.0379 18.0392 19.0803 19.0825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.1957-0.1343 ( 1416 PWs) bands (ev): -15.7916 -15.7915 -12.7789 -12.7787 -11.3312 -11.3308 -11.2083 -11.2079 -3.6289 -3.6283 -1.3569 -1.3563 -0.5760 -0.5754 -0.3824 -0.3819 3.2253 3.2273 3.9070 3.9106 4.5933 4.5949 5.3139 5.3165 5.7422 5.7448 6.8284 6.8351 7.7084 7.7108 7.9264 7.9275 17.0767 17.0777 17.2517 17.2538 17.8033 17.8044 19.0097 19.0112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.1957 0.0192 ( 1416 PWs) bands (ev): -15.8588 -15.8587 -12.6913 -12.6912 -11.2866 -11.2865 -11.2445 -11.2444 -3.5878 -3.5875 -1.3498 -1.3497 -0.5569 -0.5564 -0.4799 -0.4795 3.1226 3.1238 3.9648 3.9669 4.7873 4.7900 5.4672 5.4702 5.8743 5.8754 6.5500 6.5519 7.6781 7.6805 7.7808 7.7817 17.1778 17.1791 17.2075 17.2090 17.6987 17.6996 18.8437 18.8446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.1957 0.1727 ( 1413 PWs) bands (ev): -15.7477 -15.7477 -12.8337 -12.8334 -11.3529 -11.3525 -11.1924 -11.1921 -3.6568 -3.6561 -1.3771 -1.3765 -0.5748 -0.5742 -0.3183 -0.3179 3.2844 3.2865 3.8356 3.8392 4.5059 4.5075 5.1950 5.1983 5.7989 5.8021 6.9216 6.9291 7.7256 7.7280 7.9962 7.9981 17.0503 17.0515 17.2757 17.2779 17.8612 17.8622 19.0686 19.0704 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.1957 0.3261 ( 1406 PWs) bands (ev): -15.4818 -15.4817 -13.1310 -13.1307 -11.4614 -11.4612 -11.1280 -11.1278 -3.8240 -3.8235 -1.6248 -1.6243 -0.4958 -0.4952 0.0326 0.0330 3.1337 3.1353 3.5753 3.5782 4.3846 4.3871 5.0538 5.0562 6.2010 6.2066 7.1897 7.1979 7.8069 7.8122 8.1563 8.1626 17.0675 17.0690 17.5535 17.5563 18.0817 18.0833 19.0365 19.0387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.3221 0.5755 ( 1406 PWs) bands (ev): -14.6323 -14.6321 -13.8957 -13.8955 -11.5826 -11.5825 -11.2783 -11.2782 -3.7232 -3.7230 -2.7222 -2.7219 -0.1205 -0.1189 0.1480 0.1503 2.7034 2.7097 3.4729 3.4785 4.8658 4.8678 5.5699 5.5747 7.2358 7.2382 7.3046 7.3061 7.8281 7.8329 8.0475 8.0490 17.6662 17.6675 18.0013 18.0021 18.0626 18.0636 18.6391 18.6401 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.3221 0.7290 ( 1393 PWs) bands (ev): -14.3219 -14.3217 -14.1765 -14.1764 -11.4553 -11.4552 -11.3778 -11.3778 -3.5949 -3.5947 -3.3744 -3.3742 -0.0235 -0.0215 0.0270 0.0294 3.0419 3.0493 3.2034 3.2096 5.4525 5.4552 5.6246 5.6284 7.3583 7.3594 7.4169 7.4192 7.8432 7.8432 7.9001 7.9002 17.8267 17.8280 17.8870 17.8873 18.2049 18.2057 18.3647 18.3656 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.3221 0.8824 ( 1399 PWs) bands (ev): -14.4734 -14.4733 -14.0349 -14.0347 -11.5294 -11.5294 -11.3149 -11.3148 -3.7127 -3.7126 -3.0723 -3.0720 -0.0697 -0.0678 0.0864 0.0888 2.8679 2.8748 3.3449 3.3511 5.1819 5.1842 5.6607 5.6653 7.2925 7.2932 7.4120 7.4125 7.8168 7.8190 7.9701 7.9710 17.8073 17.8093 17.9794 17.9799 18.0520 18.0525 18.5042 18.5051 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.3221 1.0359 ( 1408 PWs) bands (ev): -14.7966 -14.7965 -13.7602 -13.7601 -11.6029 -11.6028 -11.2696 -11.2694 -3.6405 -3.6403 -2.3656 -2.3654 -0.1826 -0.1815 0.1868 0.1889 2.6009 2.6062 3.5908 3.5952 4.5576 4.5589 5.4047 5.4090 7.1170 7.1214 7.1774 7.1784 7.8470 7.8532 8.1199 8.1212 17.4307 17.4312 17.8585 17.8594 18.1865 18.1877 18.7864 18.7875 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.3221 1.1894 ( 1408 PWs) bands (ev): -15.1164 -15.1163 -13.5194 -13.5192 -11.5413 -11.5412 -11.2997 -11.2995 -3.3346 -3.3341 -1.7990 -1.7988 -0.3180 -0.3177 0.0677 0.0687 2.8444 2.8464 3.6623 3.6641 4.2541 4.2575 5.0664 5.0681 6.6225 6.6266 6.9802 6.9805 7.8451 7.8516 8.1609 8.1611 17.0117 17.0126 17.2975 17.2983 18.3625 18.3636 19.0479 19.0489 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.3221-0.1918 ( 1409 PWs) bands (ev): -15.3655 -15.3655 -13.3584 -13.3583 -11.4072 -11.4071 -11.3197 -11.3196 -3.1153 -3.1147 -1.5927 -1.5922 -0.3407 -0.3396 -0.1733 -0.1729 3.3931 3.3960 3.6165 3.6180 4.5736 4.5766 4.9624 4.9649 6.0669 6.0699 6.6098 6.6113 7.8108 7.8153 7.9889 7.9895 16.8391 16.8407 16.9184 16.9193 18.2982 18.2998 18.9642 18.9650 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.3221-0.0384 ( 1426 PWs) bands (ev): -15.4838 -15.4838 -13.2946 -13.2945 -11.3176 -11.3176 -11.3140 -11.3140 -3.0737 -3.0735 -1.6220 -1.6218 -0.2659 -0.2655 -0.2578 -0.2577 3.2256 3.2263 4.0864 4.0874 4.9802 4.9808 5.4526 5.4560 5.5998 5.6006 5.9680 5.9707 7.7911 7.7920 7.8025 7.8026 16.8670 16.8673 16.8696 16.8702 18.1507 18.1513 18.6134 18.6137 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.3221 0.1151 ( 1420 PWs) bands (ev): -15.4436 -15.4436 -13.3151 -13.3151 -11.3500 -11.3499 -11.3176 -11.3175 -3.0812 -3.0807 -1.6006 -1.6003 -0.3004 -0.2994 -0.2346 -0.2344 3.2844 3.2863 3.9404 3.9428 4.7957 4.7975 5.1248 5.1289 5.8027 5.8047 6.3201 6.3225 7.7978 7.8007 7.8741 7.8746 16.8440 16.8453 16.8685 16.8693 18.2148 18.2162 18.7647 18.7654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.3221 0.2686 ( 1406 PWs) bands (ev): -15.2541 -15.2541 -13.4266 -13.4265 -11.4762 -11.4761 -11.3144 -11.3142 -3.1988 -3.1982 -1.6482 -1.6478 -0.3515 -0.3506 -0.0642 -0.0635 3.2047 3.2049 3.5340 3.5371 4.3731 4.3770 4.9665 4.9668 6.3458 6.3494 6.8238 6.8243 7.8284 7.8341 8.0978 8.0980 16.8899 16.8913 17.0607 17.0616 18.3568 18.3581 19.0754 19.0762 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750 0.3221 0.4220 ( 1402 PWs) bands (ev): -14.9607 -14.9606 -13.6327 -13.6325 -11.5874 -11.5873 -11.2809 -11.2808 -3.4964 -3.4961 -2.0456 -2.0456 -0.2537 -0.2533 0.1647 0.1663 2.6330 2.6369 3.6797 3.6816 4.3206 4.3212 5.2229 5.2261 6.8844 6.8886 7.0945 7.0956 7.8534 7.8600 8.1650 8.1658 17.1994 17.1996 17.5895 17.5904 18.3023 18.3034 18.9339 18.9350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.5630-0.0959 ( 1395 PWs) bands (ev): -14.7673 -14.7670 -13.7360 -13.7357 -11.4920 -11.4918 -11.2793 -11.2791 -3.8286 -3.8275 -3.2357 -3.2346 -0.0245 -0.0210 0.5701 0.5718 2.5106 2.5206 3.3632 3.3742 5.2151 5.2194 5.6426 5.6469 7.1639 7.1704 7.3162 7.3204 7.9193 7.9226 7.9700 7.9751 17.5673 17.5683 18.0922 18.0973 18.4115 18.4170 18.6983 18.7031 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.5630 0.0576 ( 1396 PWs) bands (ev): -14.7702 -14.7699 -13.7279 -13.7275 -11.4736 -11.4734 -11.2803 -11.2801 -3.8570 -3.8558 -3.3203 -3.3190 -0.0214 -0.0180 0.5914 0.5930 2.5084 2.5186 3.3634 3.3746 5.2789 5.2834 5.6904 5.6941 7.2007 7.2074 7.3111 7.3148 7.9127 7.9173 7.9542 7.9580 17.5619 17.5628 18.0848 18.0891 18.4458 18.4504 18.6516 18.6567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.5630 0.2110 ( 1407 PWs) bands (ev): -14.7590 -14.7588 -13.7791 -13.7787 -11.5648 -11.5645 -11.2865 -11.2862 -3.6335 -3.6327 -2.8142 -2.8133 -0.0524 -0.0490 0.4437 0.4456 2.5396 2.5482 3.3639 3.3731 4.9241 4.9275 5.3902 5.3953 7.0062 7.0129 7.2925 7.2981 7.9102 7.9110 8.0638 8.0683 17.4335 17.4344 18.0413 18.0467 18.4216 18.4262 18.8720 18.8755 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.5630 0.3645 ( 1403 PWs) bands (ev): -14.7885 -14.7883 -13.8456 -13.8454 -11.6246 -11.6242 -11.2980 -11.2976 -3.1967 -3.1962 -2.1271 -2.1264 -0.1690 -0.1669 0.1842 0.1861 2.7211 2.7256 3.3781 3.3816 4.5622 4.5639 5.0435 5.0471 6.6197 6.6255 7.2411 7.2465 7.7894 7.7905 8.1821 8.1855 16.9086 16.9099 17.5841 17.5866 18.6762 18.6775 19.1606 19.1629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.5630 0.5180 ( 1413 PWs) bands (ev): -14.8839 -14.8839 -13.8846 -13.8845 -11.5844 -11.5840 -11.2848 -11.2845 -2.8275 -2.8266 -1.7390 -1.7383 -0.2794 -0.2780 0.0052 0.0084 3.0926 3.0963 3.5667 3.5736 4.3444 4.3471 5.0170 5.0198 6.0731 6.0778 6.9678 6.9722 7.7056 7.7085 8.1714 8.1755 16.5091 16.5100 17.0634 17.0647 18.7560 18.7581 19.1900 19.1928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.5630-0.8633 ( 1428 PWs) bands (ev): -14.9742 -14.9742 -13.9043 -13.9042 -11.4541 -11.4539 -11.3081 -11.3079 -2.6581 -2.6573 -1.8412 -1.8407 -0.1567 -0.1560 -0.0430 -0.0405 3.3684 3.3691 3.8935 3.8945 4.5034 4.5088 5.3001 5.3047 5.5130 5.5144 6.3302 6.3344 7.8030 7.8045 8.0321 8.0357 16.4930 16.4937 16.7642 16.7651 18.5702 18.5729 18.7910 18.7941 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.5630-0.7098 ( 1428 PWs) bands (ev): -14.9861 -14.9861 -13.9068 -13.9068 -11.4179 -11.4177 -11.3275 -11.3273 -2.6387 -2.6380 -1.8788 -1.8783 -0.1214 -0.1206 -0.0515 -0.0495 3.4166 3.4174 3.8801 3.8813 4.6713 4.6761 5.2121 5.2162 5.5671 5.5708 6.1502 6.1545 7.8442 7.8459 7.9863 7.9893 16.5383 16.5390 16.7076 16.7085 18.5313 18.5336 18.7090 18.7113 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.5630-0.5563 ( 1415 PWs) bands (ev): -14.9107 -14.9106 -13.8908 -13.8907 -11.5576 -11.5573 -11.2839 -11.2836 -2.7687 -2.7677 -1.7329 -1.7321 -0.2660 -0.2646 -0.0144 -0.0112 3.1733 3.1771 3.6813 3.6881 4.3127 4.3156 5.0737 5.0769 5.9211 5.9254 6.8358 6.8402 7.7158 7.7185 8.1463 8.1505 16.4682 16.4690 16.9690 16.9702 18.7248 18.7273 19.1098 19.1129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.5630-0.4029 ( 1404 PWs) bands (ev): -14.8076 -14.8075 -13.8582 -13.8580 -11.6252 -11.6248 -11.2960 -11.2956 -3.0871 -3.0865 -1.9825 -1.9819 -0.2097 -0.2084 0.1244 0.1266 2.8053 2.8084 3.3945 3.3967 4.4977 4.4998 4.9975 5.0008 6.4950 6.5005 7.2074 7.2124 7.7534 7.7552 8.1934 8.1970 16.7800 16.7812 17.4392 17.4413 18.7257 18.7270 19.2122 19.2142 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.5630-0.2494 ( 1404 PWs) bands (ev): -14.7600 -14.7598 -13.7968 -13.7965 -11.5866 -11.5863 -11.2912 -11.2909 -3.5352 -3.5346 -2.6416 -2.6407 -0.0717 -0.0683 0.3836 0.3856 2.5643 2.5721 3.3649 3.3730 4.8201 4.8229 5.2907 5.2957 6.9290 6.9355 7.2831 7.2890 7.8900 7.8905 8.1007 8.1046 17.3203 17.3214 17.9679 17.9724 18.4737 18.4771 18.9438 18.9470 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.4366 0.0000 ( 1388 PWs) bands (ev): -15.2841 -15.2839 -13.1724 -13.1720 -11.4486 -11.4484 -11.1099 -11.1098 -4.1954 -4.1942 -3.1871 -3.1859 -0.2144 -0.2102 0.8954 0.8955 2.0668 2.0768 3.9321 3.9437 5.0986 5.1036 5.9664 5.9685 6.9918 7.0016 7.0419 7.0446 7.7805 7.7879 7.8272 7.8300 17.2574 17.2597 18.1935 18.1986 18.6973 18.7038 18.9591 18.9695 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.4366 0.1535 ( 1405 PWs) bands (ev): -15.2245 -15.2243 -13.2683 -13.2678 -11.5205 -11.5202 -11.1154 -11.1151 -4.0066 -4.0055 -2.9255 -2.9242 -0.2351 -0.2310 0.7303 0.7309 2.2140 2.2236 3.8391 3.8510 5.0055 5.0111 5.6991 5.7040 6.8222 6.8309 6.9843 6.9882 7.8808 7.8844 7.9523 7.9556 17.2542 17.2559 18.2028 18.2096 18.6691 18.6754 18.9957 19.0041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.4366 0.3069 ( 1400 PWs) bands (ev): -15.0659 -15.0656 -13.5245 -13.5241 -11.6634 -11.6630 -11.1171 -11.1167 -3.5594 -3.5589 -2.2725 -2.2714 -0.3284 -0.3257 0.4016 0.4027 2.5769 2.5856 3.5115 3.5203 4.9405 4.9441 5.1187 5.1261 6.4775 6.4836 7.0000 7.0044 7.8638 7.8693 8.2006 8.2046 16.8521 16.8525 18.0351 18.0392 18.8250 18.8267 19.1602 19.1665 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.4366 0.4604 ( 1413 PWs) bands (ev): -14.8595 -14.8592 -13.8556 -13.8554 -11.7310 -11.7306 -11.1344 -11.1340 -3.0882 -3.0875 -1.6394 -1.6390 -0.4862 -0.4857 0.1699 0.1739 2.9443 2.9453 3.3182 3.3213 4.4931 4.4968 5.2241 5.2266 5.9583 5.9624 7.2143 7.2169 7.5787 7.5834 8.3322 8.3372 16.3718 16.3724 17.5112 17.5128 19.0855 19.0886 19.3623 19.3681 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.4366 0.6139 ( 1414 PWs) bands (ev): -14.6502 -14.6500 -14.1728 -14.1726 -11.6374 -11.6370 -11.2323 -11.2320 -2.6777 -2.6765 -1.7222 -1.7218 -0.3089 -0.3082 0.0638 0.0678 3.0272 3.0297 3.8097 3.8163 4.1444 4.1487 5.3280 5.3332 5.6772 5.6799 6.9791 6.9841 7.5708 7.5728 8.2485 8.2534 16.2852 16.2857 17.0383 17.0393 18.9441 18.9461 19.1972 19.2014 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.4366-0.7673 ( 1424 PWs) bands (ev): -14.4336 -14.4336 -14.4334 -14.4334 -11.4286 -11.4286 -11.4284 -11.4284 -2.2201 -2.2201 -2.2188 -2.2188 -0.0596 -0.0596 -0.0545 -0.0545 3.4375 3.4375 3.4452 3.4452 4.7176 4.7176 4.7211 4.7212 6.2617 6.2617 6.2729 6.2729 7.9537 7.9537 7.9591 7.9591 16.6063 16.6063 16.6080 16.6080 18.8534 18.8535 18.8573 18.8573 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.3101 0.0959 ( 1402 PWs) bands (ev): -15.6770 -15.6768 -12.7558 -12.7554 -11.4300 -11.4297 -10.9040 -10.9038 -4.4428 -4.4418 -2.7555 -2.7543 -0.5853 -0.5818 0.7772 0.7785 2.1799 2.1884 4.1729 4.1781 5.0775 5.0785 5.9049 5.9074 6.5721 6.5757 6.9690 6.9775 7.6223 7.6293 7.7800 7.7848 17.0379 17.0412 18.2438 18.2490 18.7230 18.7314 18.8791 18.8903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.3101 0.2494 ( 1402 PWs) bands (ev): -15.5135 -15.5132 -13.0458 -13.0454 -11.5346 -11.5341 -10.9010 -10.9005 -4.1613 -4.1607 -2.2171 -2.2159 -0.6496 -0.6470 0.5218 0.5242 2.4716 2.4794 4.0395 4.0460 4.9190 4.9219 5.3571 5.3612 6.4872 6.4936 6.6777 6.6816 7.7994 7.8084 8.0588 8.0643 16.9389 16.9407 18.3132 18.3208 18.6903 18.6961 19.0394 19.0466 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.3101 0.4029 ( 1398 PWs) bands (ev): -15.2542 -15.2540 -13.4200 -13.4197 -11.6619 -11.6614 -10.9503 -10.9497 -3.7277 -3.7274 -1.5342 -1.5333 -0.7900 -0.7881 0.2946 0.2989 2.8816 2.8877 3.5587 3.5622 4.6926 4.6953 5.1418 5.1445 6.0099 6.0141 6.9058 6.9128 7.8422 7.8503 8.2619 8.2669 16.5481 16.5484 18.0388 18.0405 18.8404 18.8428 19.3514 19.3580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.3101 0.5563 ( 1405 PWs) bands (ev): -14.9905 -14.9903 -13.7343 -13.7342 -11.6917 -11.6912 -11.1066 -11.1061 -3.2478 -3.2470 -1.4779 -1.4773 -0.5549 -0.5533 0.1362 0.1404 3.0105 3.0111 3.4218 3.4255 4.3773 4.3801 5.2876 5.2897 5.7843 5.7888 7.2378 7.2463 7.6195 7.6267 8.3108 8.3154 16.4044 16.4049 17.5277 17.5291 18.8895 18.8903 19.5053 19.5091 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.3101 0.7098 ( 1413 PWs) bands (ev): -14.8326 -14.8325 -13.9023 -13.9023 -11.5587 -11.5583 -11.3515 -11.3512 -2.8103 -2.8096 -1.8710 -1.8703 -0.2144 -0.2131 0.0072 0.0096 3.0331 3.0358 3.4488 3.4534 4.4273 4.4295 4.9120 4.9138 6.3785 6.3835 6.9338 6.9379 7.7997 7.8035 8.1206 8.1240 16.6749 16.6760 17.0554 17.0569 18.7341 18.7357 19.1635 19.1650 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.3101-0.6714 ( 1407 PWs) bands (ev): -14.8568 -14.8567 -13.8773 -13.8772 -11.6050 -11.6046 -11.2881 -11.2878 -2.9002 -2.8994 -1.7826 -1.7819 -0.2723 -0.2711 0.0342 0.0371 3.0003 3.0030 3.4801 3.4854 4.3892 4.3919 4.9840 4.9867 6.2204 6.2254 7.0741 7.0787 7.7083 7.7112 8.1880 8.1920 16.5762 16.5772 17.1743 17.1759 18.7671 18.7689 19.2347 19.2368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.3101-0.5180 ( 1405 PWs) bands (ev): -15.0507 -15.0505 -13.6669 -13.6667 -11.6990 -11.6985 -11.0565 -11.0560 -3.3692 -3.3685 -1.4067 -1.4059 -0.6642 -0.6622 0.1733 0.1777 3.0447 3.0462 3.3696 3.3720 4.4247 4.4265 5.3535 5.3556 5.7135 5.7181 7.1670 7.1749 7.6882 7.6956 8.3197 8.3243 16.4005 16.4008 17.6502 17.6515 18.9073 18.9079 19.5234 19.5310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.3101-0.3645 ( 1397 PWs) bands (ev): -15.3236 -15.3234 -13.3276 -13.3272 -11.6346 -11.6340 -10.9294 -10.9289 -3.8433 -3.8430 -1.6883 -1.6872 -0.7578 -0.7559 0.3424 0.3463 2.7755 2.7821 3.6945 3.6989 4.8190 4.8225 5.0636 5.0662 6.1514 6.1559 6.8239 6.8307 7.8565 7.8651 8.2212 8.2264 16.6391 16.6397 18.1620 18.1648 18.7848 18.7881 19.2658 19.2719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.3101-0.2110 ( 1405 PWs) bands (ev): -15.5660 -15.5658 -12.9584 -12.9580 -11.5021 -11.5016 -10.8995 -10.8991 -4.2510 -4.2503 -2.3820 -2.3808 -0.6250 -0.6220 0.5905 0.5924 2.3832 2.3912 4.1039 4.1105 4.9386 4.9411 5.5373 5.5417 6.4990 6.5061 6.7346 6.7391 7.7580 7.7667 7.9936 7.9988 17.0104 17.0127 18.2740 18.2812 18.7155 18.7209 18.9858 18.9940 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.3101-0.0576 ( 1401 PWs) bands (ev): -15.6963 -15.6961 -12.7177 -12.7172 -11.4174 -11.4171 -10.9058 -10.9056 -4.4762 -4.4751 -2.8240 -2.8229 -0.5802 -0.5766 0.8172 0.8185 2.1406 2.1491 4.1770 4.1819 5.1151 5.1160 5.9402 5.9417 6.6436 6.6454 7.0152 7.0252 7.5890 7.5948 7.7199 7.7251 17.0154 17.0187 18.2528 18.2574 18.7354 18.7450 18.8446 18.8560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.1837 0.1918 ( 1402 PWs) bands (ev): -15.8636 -15.8635 -12.6818 -12.6814 -11.3369 -11.3365 -10.7534 -10.7530 -4.5987 -4.5980 -2.0548 -2.0536 -0.8801 -0.8777 0.4625 0.4656 2.6390 2.6453 4.0559 4.0582 4.8733 4.8767 5.4527 5.4575 6.1559 6.1645 7.1305 7.1420 7.5164 7.5241 7.9898 7.9994 17.0294 17.0339 18.1030 18.1103 18.5941 18.5975 18.8962 18.9005 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.1837 0.3453 ( 1395 PWs) bands (ev): -15.6048 -15.6046 -13.0994 -13.0991 -11.4020 -11.4014 -10.7999 -10.7993 -4.3505 -4.3502 -1.5879 -1.5870 -0.8954 -0.8927 0.3374 0.3417 2.8990 2.9042 4.0769 4.0800 4.5894 4.5944 4.8459 4.8495 6.4640 6.4721 6.6677 6.6716 7.7355 7.7478 8.1513 8.1596 16.9112 16.9137 18.3461 18.3524 18.6677 18.6717 18.9826 18.9856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.1837 0.4988 ( 1402 PWs) bands (ev): -15.3021 -15.3020 -13.4198 -13.4196 -11.5148 -11.5142 -10.9675 -10.9670 -3.9621 -3.9618 -1.5693 -1.5685 -0.5914 -0.5889 0.2204 0.2239 2.9983 3.0043 3.5960 3.6007 4.5492 4.5520 4.9904 4.9927 6.0904 6.0963 7.0522 7.0635 7.9060 7.9172 8.1565 8.1620 16.7809 16.7814 18.1010 18.1036 18.5601 18.5633 19.2674 19.2728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.1837 0.6522 ( 1405 PWs) bands (ev): -15.0893 -15.0892 -13.5566 -13.5565 -11.5713 -11.5710 -11.2010 -11.2006 -3.5542 -3.5538 -1.8120 -1.8115 -0.3175 -0.3159 0.1246 0.1266 2.7628 2.7658 3.6523 3.6544 4.3602 4.3627 5.1195 5.1211 6.3841 6.3904 7.2511 7.2589 7.8208 7.8232 8.1840 8.1881 16.9257 16.9269 17.6532 17.6557 18.4173 18.4192 19.1227 19.1247 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.1837 0.8057 ( 1407 PWs) bands (ev): -15.0456 -15.0455 -13.5723 -13.5721 -11.5690 -11.5688 -11.2788 -11.2786 -3.4319 -3.4315 -1.8989 -1.8986 -0.2900 -0.2894 0.1231 0.1245 2.7204 2.7233 3.6862 3.6870 4.2724 4.2744 5.1367 5.1390 6.6815 6.6868 7.0979 7.1020 7.8432 7.8494 8.1728 8.1749 17.0666 17.0676 17.4754 17.4770 18.3503 18.3516 19.0137 19.0149 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.1837-0.5755 ( 1405 PWs) bands (ev): -15.1768 -15.1767 -13.5107 -13.5105 -11.5548 -11.5543 -11.0857 -11.0853 -3.7474 -3.7470 -1.6859 -1.6852 -0.4170 -0.4150 0.1585 0.1612 2.8710 2.8751 3.5948 3.5979 4.4703 4.4734 5.0921 5.0932 6.1328 6.1396 7.2232 7.2341 7.8659 7.8705 8.1745 8.1780 16.8161 16.8168 17.8686 17.8713 18.5051 18.5076 19.2471 19.2511 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.1837-0.4220 ( 1394 PWs) bands (ev): -15.4509 -15.4508 -13.2802 -13.2799 -11.4594 -11.4589 -10.8684 -10.8678 -4.1688 -4.1686 -1.5122 -1.5113 -0.7819 -0.7791 0.2824 0.2866 3.0025 3.0080 3.7920 3.7962 4.6313 4.6348 4.7989 4.8006 6.2747 6.2782 6.8254 6.8352 7.8488 7.8623 8.1623 8.1703 16.8201 16.8215 18.3144 18.3189 18.5730 18.5777 19.1616 19.1664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.1837-0.2686 ( 1399 PWs) bands (ev): -15.7467 -15.7466 -12.8926 -12.8922 -11.3570 -11.3565 -10.7639 -10.7634 -4.4960 -4.4955 -1.8011 -1.8000 -0.9058 -0.9033 0.3952 0.3990 2.7662 2.7719 4.1506 4.1520 4.6525 4.6546 5.1474 5.1509 6.2851 6.2957 6.8931 6.9018 7.6149 7.6252 8.0939 8.1027 17.0059 17.0097 18.2119 18.2188 18.7358 18.7395 18.8687 18.8723 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.1837-0.1151 ( 1400 PWs) bands (ev): -15.9463 -15.9461 -12.4986 -12.4981 -11.3445 -11.3442 -10.7559 -10.7556 -4.6588 -4.6580 -2.2692 -2.2681 -0.8572 -0.8547 0.5294 0.5318 2.5385 2.5452 3.9761 3.9780 5.0737 5.0770 5.5261 5.5297 6.2851 6.2888 7.2633 7.2759 7.4902 7.4955 7.8522 7.8629 16.9557 16.9599 18.1105 18.1163 18.4557 18.4603 18.8591 18.8646 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3750-0.1837 0.0384 ( 1402 PWs) bands (ev): -15.9889 -15.9888 -12.3864 -12.3859 -11.3625 -11.3623 -10.7600 -10.7597 -4.6844 -4.6836 -2.3916 -2.3905 -0.8456 -0.8431 0.5726 0.5747 2.4822 2.4890 3.9371 3.9382 5.1938 5.1970 5.4763 5.4777 6.4814 6.4827 7.2684 7.2732 7.5682 7.5759 7.7138 7.7239 16.8762 16.8800 18.1624 18.1658 18.3719 18.3790 18.8107 18.8159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.0763-0.3837 ( 1396 PWs) bands (ev): -15.5006 -15.5006 -13.3311 -13.3311 -11.2185 -11.2185 -10.8840 -10.8840 -4.4630 -4.4630 -1.5633 -1.5633 -0.3584 -0.3584 0.0653 0.0653 3.5733 3.5733 3.5808 3.5808 4.2295 4.2295 4.5848 4.5848 6.5668 6.5668 6.7820 6.7820 7.8955 7.8955 8.0846 8.0846 17.1940 17.1940 18.2253 18.2253 18.5652 18.5652 18.9118 18.9118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.0763-0.2302 ( 1397 PWs) bands (ev): -15.5446 -15.5445 -13.1910 -13.1907 -11.2890 -11.2889 -10.9285 -10.9284 -4.3741 -4.3737 -1.6826 -1.6818 -0.4731 -0.4711 0.1356 0.1372 3.2885 3.2946 3.4981 3.5047 4.4746 4.4790 4.9939 4.9995 6.1461 6.1551 7.2286 7.2429 7.8110 7.8188 8.0703 8.0840 17.2367 17.2385 18.0173 18.0210 18.2795 18.2826 19.0043 19.0072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.0763-0.0767 ( 1404 PWs) bands (ev): -15.6095 -15.6093 -12.9364 -12.9361 -11.4540 -11.4538 -10.9838 -10.9835 -4.2042 -4.2036 -1.9161 -1.9152 -0.6323 -0.6307 0.2597 0.2608 3.1686 3.1737 3.2883 3.2947 4.7810 4.7845 5.1594 5.1628 6.4176 6.4227 7.2490 7.2575 7.7853 7.7935 8.0584 8.0685 17.2465 17.2485 17.8161 17.8200 17.9966 18.0006 18.8295 18.8321 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.2027-0.2878 ( 1405 PWs) bands (ev): -15.4177 -15.4176 -13.3169 -13.3167 -11.3565 -11.3561 -10.9211 -10.9208 -4.3408 -4.3404 -1.8016 -1.8006 -0.4743 -0.4718 0.2405 0.2427 3.0087 3.0148 3.5702 3.5755 4.7175 4.7222 4.9646 4.9694 6.6079 6.6157 6.8222 6.8319 7.8632 7.8756 8.0775 8.0857 17.1662 17.1679 18.1814 18.1856 18.5562 18.5577 18.8764 18.8783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.2027-0.1343 ( 1399 PWs) bands (ev): -15.4657 -15.4655 -13.1049 -13.1046 -11.4481 -11.4479 -10.9491 -10.9489 -4.3273 -4.3266 -2.2680 -2.2669 -0.6098 -0.6072 0.4409 0.4418 2.8604 2.8679 3.3996 3.4044 5.1430 5.1486 5.4439 5.4507 6.5848 6.5926 7.1994 7.2096 7.6887 7.6977 7.9693 7.9780 17.2747 17.2775 18.0190 18.0236 18.4099 18.4142 18.7230 18.7282 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.2027 0.0192 ( 1400 PWs) bands (ev): -15.4894 -15.4892 -12.9962 -12.9958 -11.5049 -11.5047 -10.9670 -10.9668 -4.2787 -4.2780 -2.4666 -2.4656 -0.6665 -0.6640 0.5122 0.5127 2.8551 2.8633 3.3358 3.3397 5.3725 5.3786 5.4231 5.4292 6.7296 6.7322 7.3617 7.3661 7.6821 7.6848 7.8045 7.8112 17.2110 17.2131 18.1296 18.1326 18.2243 18.2284 18.6297 18.6334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.2027 0.1727 ( 1400 PWs) bands (ev): -15.4525 -15.4524 -13.1621 -13.1618 -11.4209 -11.4206 -10.9398 -10.9396 -4.3444 -4.3438 -2.1576 -2.1565 -0.5765 -0.5739 0.3975 0.3987 2.8750 2.8821 3.4379 3.4430 5.0441 5.0497 5.3714 5.3782 6.5746 6.5837 7.0874 7.0969 7.7283 7.7383 8.0156 8.0244 17.2798 17.2827 18.0212 18.0262 18.4957 18.4999 18.7459 18.7509 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.2027 0.3261 ( 1399 PWs) bands (ev): -15.4134 -15.4133 -13.3473 -13.3472 -11.3453 -11.3449 -10.9229 -10.9225 -4.3156 -4.3153 -1.6945 -1.6937 -0.4518 -0.4494 0.1870 0.1894 3.0919 3.0974 3.6034 3.6086 4.5835 4.5869 4.8638 4.8674 6.4520 6.4596 6.9176 6.9294 7.9062 7.9192 8.0712 8.0791 17.1104 17.1116 18.2383 18.2426 18.4646 18.4666 18.9742 18.9769 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.2027-1.0551 ( 1403 PWs) bands (ev): -15.4555 -15.4555 -13.3071 -13.3070 -11.3544 -11.3538 -10.9897 -10.9892 -4.1089 -4.1085 -1.4299 -1.4291 -0.4504 -0.4485 -0.0022 -0.0004 3.4727 3.4770 3.6409 3.6448 4.0508 4.0544 4.9926 4.9957 5.7982 5.8039 7.2887 7.3035 7.9381 7.9415 8.0520 8.0639 16.9574 16.9578 17.9409 17.9427 18.2935 18.2951 19.2657 19.2701 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.2027-0.9016 ( 1408 PWs) bands (ev): -15.5436 -15.5435 -13.0967 -13.0964 -11.4167 -11.4162 -11.1165 -11.1162 -3.8326 -3.8320 -1.4966 -1.4959 -0.5093 -0.5086 -0.0646 -0.0641 3.3149 3.3182 3.5969 3.6002 4.3111 4.3134 5.0511 5.0548 5.9235 5.9292 7.2321 7.2426 7.8003 7.8038 8.1326 8.1397 17.0039 17.0052 17.5262 17.5289 18.0866 18.0881 19.1492 19.1520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.2027-0.7482 ( 1408 PWs) bands (ev): -15.5776 -15.5775 -12.9948 -12.9946 -11.4519 -11.4518 -11.1706 -11.1704 -3.7147 -3.7142 -1.5924 -1.5921 -0.5413 -0.5412 -0.0413 -0.0407 3.2993 3.3001 3.4762 3.4768 4.4255 4.4281 5.0302 5.0310 6.3349 6.3377 6.9636 6.9658 7.7728 7.7786 8.1531 8.1546 17.1083 17.1095 17.3630 17.3642 17.9827 17.9830 18.9936 18.9949 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.2027-0.5947 ( 1407 PWs) bands (ev): -15.5233 -15.5233 -13.1515 -13.1513 -11.3994 -11.3989 -11.0856 -11.0852 -3.8979 -3.8972 -1.4568 -1.4561 -0.4927 -0.4919 -0.0666 -0.0661 3.3452 3.3491 3.6511 3.6551 4.2106 4.2136 5.0900 5.0944 5.7788 5.7850 7.3015 7.3141 7.8210 7.8237 8.1187 8.1276 16.9736 16.9747 17.6114 17.6141 18.1426 18.1441 19.2155 19.2189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.2027-0.4412 ( 1400 PWs) bands (ev): -15.4368 -15.4368 -13.3407 -13.3407 -11.3450 -11.3445 -10.9642 -10.9637 -4.1732 -4.1729 -1.4655 -1.4648 -0.4410 -0.4390 0.0395 0.0418 3.4300 3.4315 3.6041 3.6065 4.1466 4.1499 4.9045 4.9077 5.9426 5.9485 7.2195 7.2338 7.9827 7.9851 8.0233 8.0338 16.9792 16.9795 18.0683 18.0699 18.3188 18.3208 19.2216 19.2258 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3292-0.1918 ( 1400 PWs) bands (ev): -15.1695 -15.1693 -13.3931 -13.3928 -11.5219 -11.5216 -11.0840 -11.0838 -4.0620 -4.0613 -2.4902 -2.4891 -0.4108 -0.4076 0.4697 0.4707 2.5855 2.5936 3.5599 3.5667 5.0834 5.0870 5.5395 5.5437 6.7465 6.7534 7.0543 7.0650 7.8842 7.8954 7.9798 7.9858 17.2906 17.2918 18.1251 18.1304 18.4614 18.4660 18.8423 18.8458 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3292-0.0384 ( 1398 PWs) bands (ev): -15.1975 -15.1972 -13.2840 -13.2836 -11.4981 -11.4979 -11.1104 -11.1102 -4.1025 -4.1015 -2.9462 -2.9451 -0.4662 -0.4632 0.6046 0.6050 2.5695 2.5787 3.5280 3.5358 5.4410 5.4430 5.7804 5.7838 6.9695 6.9723 7.1600 7.1700 7.7515 7.7568 7.8337 7.8393 17.3159 17.3176 18.1806 18.1851 18.4549 18.4633 18.5888 18.5963 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3292 0.1151 ( 1400 PWs) bands (ev): -15.1861 -15.1859 -13.3257 -13.3253 -11.5082 -11.5079 -11.0979 -11.0977 -4.1002 -4.0993 -2.7747 -2.7736 -0.4446 -0.4415 0.5583 0.5590 2.5697 2.5784 3.5383 3.5458 5.2982 5.3015 5.7192 5.7235 6.8723 6.8766 7.1073 7.1169 7.8039 7.8134 7.9044 7.9087 17.3406 17.3424 18.1354 18.1401 18.4367 18.4434 18.7176 18.7237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3292 0.2686 ( 1401 PWs) bands (ev): -15.1586 -15.1584 -13.4608 -13.4605 -11.5357 -11.5353 -11.0774 -11.0771 -3.9691 -3.9686 -2.1580 -2.1569 -0.3852 -0.3822 0.3502 0.3518 2.6445 2.6514 3.5858 3.5915 4.8392 4.8421 5.3033 5.3061 6.5421 6.5498 7.0928 7.1038 7.9263 7.9343 8.0608 8.0653 17.1214 17.1219 18.1603 18.1669 18.4170 18.4229 18.9988 19.0016 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3292 0.4220 ( 1404 PWs) bands (ev): -15.1943 -15.1942 -13.5079 -13.5078 -11.5590 -11.5585 -11.0938 -11.0933 -3.6624 -3.6619 -1.5594 -1.5587 -0.4483 -0.4464 0.1004 0.1035 2.9823 2.9848 3.5932 3.5958 4.3561 4.3595 5.0941 5.0959 5.9853 5.9918 7.2613 7.2724 7.8194 7.8242 8.1975 8.2009 16.7338 16.7345 17.7322 17.7344 18.5291 18.5311 19.3110 19.3152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3292-0.9592 ( 1410 PWs) bands (ev): -15.2942 -15.2942 -13.4312 -13.4311 -11.5353 -11.5348 -11.1662 -11.1658 -3.3344 -3.3336 -1.3897 -1.3886 -0.4847 -0.4825 -0.0844 -0.0812 3.2655 3.2685 3.9281 3.9322 3.9653 3.9666 5.3175 5.3233 5.5244 5.5275 7.1906 7.1999 7.6741 7.6789 8.1705 8.1735 16.6056 16.6062 17.2712 17.2729 18.4601 18.4618 19.2986 19.2998 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3292-0.8057 ( 1409 PWs) bands (ev): -15.3623 -15.3623 -13.3618 -13.3617 -11.4242 -11.4239 -11.3018 -11.3016 -3.1261 -3.1254 -1.5794 -1.5789 -0.3492 -0.3480 -0.1699 -0.1688 3.3770 3.3797 3.6421 3.6441 4.5309 4.5328 4.9926 4.9949 6.0085 6.0121 6.6686 6.6716 7.7947 7.7987 8.0066 8.0081 16.7939 16.7952 16.9645 16.9658 18.3072 18.3088 18.9835 18.9843 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3292-0.6522 ( 1408 PWs) bands (ev): -15.3378 -15.3378 -13.3874 -13.3872 -11.4874 -11.4870 -11.2305 -11.2301 -3.2046 -3.2037 -1.4899 -1.4891 -0.4087 -0.4073 -0.1410 -0.1386 3.3124 3.3149 3.7805 3.7837 4.2763 4.2786 5.1523 5.1563 5.7394 5.7434 6.9435 6.9491 7.7224 7.7254 8.0922 8.0950 16.6714 16.6723 17.1083 17.1100 18.3710 18.3728 19.1192 19.1202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3292-0.4988 ( 1410 PWs) bands (ev): -15.2417 -15.2416 -13.4781 -13.4780 -11.5577 -11.5572 -11.1208 -11.1204 -3.4921 -3.4913 -1.3957 -1.3947 -0.5028 -0.5005 -0.0023 0.0010 3.1849 3.1872 3.6647 3.6698 4.1464 4.1500 5.1991 5.2024 5.6979 5.7033 7.2931 7.3049 7.7146 7.7207 8.2089 8.2120 16.6255 16.6261 17.4776 17.4793 18.5245 18.5261 19.3748 19.3781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.3292-0.3453 ( 1409 PWs) bands (ev): -15.1649 -15.1648 -13.5035 -13.5034 -11.5490 -11.5485 -11.0805 -11.0801 -3.8288 -3.8284 -1.8320 -1.8311 -0.3945 -0.3922 0.2205 0.2229 2.7751 2.7803 3.5974 3.6014 4.5902 4.5930 5.1290 5.1297 6.2771 6.2843 7.1792 7.1900 7.9008 7.9058 8.1422 8.1458 16.9122 16.9128 17.9993 18.0030 18.4675 18.4709 19.1702 19.1739 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4556-0.0959 ( 1395 PWs) bands (ev): -14.7673 -14.7670 -13.7360 -13.7357 -11.4920 -11.4918 -11.2793 -11.2791 -3.8286 -3.8275 -3.2357 -3.2346 -0.0245 -0.0210 0.5701 0.5718 2.5106 2.5206 3.3632 3.3742 5.2151 5.2194 5.6426 5.6469 7.1639 7.1704 7.3162 7.3204 7.9193 7.9226 7.9700 7.9751 17.5673 17.5683 18.0922 18.0973 18.4115 18.4170 18.6983 18.7031 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4556 0.0576 ( 1396 PWs) bands (ev): -14.7702 -14.7699 -13.7279 -13.7275 -11.4736 -11.4734 -11.2803 -11.2801 -3.8570 -3.8558 -3.3203 -3.3190 -0.0214 -0.0180 0.5914 0.5930 2.5084 2.5186 3.3634 3.3746 5.2789 5.2834 5.6904 5.6941 7.2007 7.2074 7.3111 7.3148 7.9127 7.9173 7.9542 7.9580 17.5619 17.5628 18.0848 18.0891 18.4458 18.4504 18.6516 18.6567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4556 0.2110 ( 1407 PWs) bands (ev): -14.7590 -14.7588 -13.7791 -13.7787 -11.5648 -11.5645 -11.2865 -11.2862 -3.6335 -3.6327 -2.8142 -2.8133 -0.0524 -0.0490 0.4437 0.4456 2.5396 2.5482 3.3639 3.3731 4.9241 4.9275 5.3902 5.3953 7.0062 7.0129 7.2925 7.2981 7.9102 7.9110 8.0638 8.0683 17.4335 17.4344 18.0413 18.0467 18.4216 18.4262 18.8720 18.8755 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4556 0.3645 ( 1403 PWs) bands (ev): -14.7885 -14.7883 -13.8456 -13.8454 -11.6246 -11.6242 -11.2980 -11.2976 -3.1967 -3.1962 -2.1271 -2.1264 -0.1690 -0.1669 0.1842 0.1861 2.7211 2.7256 3.3781 3.3816 4.5622 4.5639 5.0435 5.0471 6.6197 6.6255 7.2411 7.2465 7.7894 7.7905 8.1821 8.1855 16.9086 16.9099 17.5841 17.5866 18.6762 18.6775 19.1606 19.1629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4556 0.5180 ( 1413 PWs) bands (ev): -14.8839 -14.8839 -13.8846 -13.8845 -11.5844 -11.5840 -11.2848 -11.2845 -2.8275 -2.8266 -1.7390 -1.7383 -0.2794 -0.2780 0.0052 0.0084 3.0926 3.0963 3.5668 3.5736 4.3444 4.3471 5.0170 5.0198 6.0731 6.0778 6.9678 6.9722 7.7056 7.7085 8.1714 8.1755 16.5091 16.5100 17.0634 17.0647 18.7560 18.7581 19.1900 19.1928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4556-0.8633 ( 1428 PWs) bands (ev): -14.9742 -14.9742 -13.9043 -13.9042 -11.4541 -11.4539 -11.3081 -11.3079 -2.6581 -2.6573 -1.8412 -1.8407 -0.1567 -0.1560 -0.0430 -0.0405 3.3684 3.3691 3.8935 3.8945 4.5034 4.5088 5.3001 5.3047 5.5130 5.5144 6.3302 6.3344 7.8030 7.8045 8.0321 8.0357 16.4930 16.4937 16.7642 16.7651 18.5702 18.5729 18.7910 18.7941 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4556-0.7098 ( 1428 PWs) bands (ev): -14.9861 -14.9861 -13.9068 -13.9068 -11.4179 -11.4177 -11.3275 -11.3273 -2.6387 -2.6380 -1.8788 -1.8783 -0.1214 -0.1206 -0.0515 -0.0495 3.4166 3.4174 3.8801 3.8813 4.6713 4.6761 5.2121 5.2162 5.5671 5.5708 6.1502 6.1545 7.8442 7.8459 7.9863 7.9893 16.5383 16.5390 16.7076 16.7085 18.5313 18.5336 18.7090 18.7113 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4556-0.5563 ( 1415 PWs) bands (ev): -14.9107 -14.9106 -13.8908 -13.8907 -11.5576 -11.5573 -11.2839 -11.2836 -2.7687 -2.7677 -1.7329 -1.7321 -0.2660 -0.2646 -0.0144 -0.0112 3.1733 3.1771 3.6813 3.6881 4.3127 4.3156 5.0737 5.0769 5.9211 5.9254 6.8358 6.8402 7.7158 7.7185 8.1463 8.1505 16.4682 16.4690 16.9690 16.9702 18.7248 18.7273 19.1098 19.1129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4556-0.4029 ( 1404 PWs) bands (ev): -14.8076 -14.8075 -13.8582 -13.8580 -11.6252 -11.6248 -11.2960 -11.2956 -3.0871 -3.0865 -1.9825 -1.9819 -0.2097 -0.2084 0.1244 0.1266 2.8053 2.8084 3.3945 3.3967 4.4977 4.4998 4.9975 5.0008 6.4950 6.5005 7.2074 7.2124 7.7534 7.7552 8.1934 8.1970 16.7800 16.7812 17.4392 17.4413 18.7257 18.7270 19.2122 19.2142 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000 0.4556-0.2494 ( 1404 PWs) bands (ev): -14.7600 -14.7598 -13.7968 -13.7965 -11.5866 -11.5863 -11.2912 -11.2909 -3.5352 -3.5346 -2.6416 -2.6407 -0.0717 -0.0683 0.3836 0.3856 2.5643 2.5721 3.3649 3.3730 4.8201 4.8229 5.2907 5.2957 6.9290 6.9355 7.2831 7.2890 7.8900 7.8905 8.1007 8.1046 17.3203 17.3214 17.9679 17.9724 18.4737 18.4771 18.9438 18.9470 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.4295-0.7673 ( 1398 PWs) bands (ev): -14.2545 -14.2545 -14.2542 -14.2542 -11.3963 -11.3963 -11.3961 -11.3961 -3.6536 -3.6536 -3.6522 -3.6522 0.4203 0.4203 0.4232 0.4232 2.8225 2.8225 2.8338 2.8338 5.4571 5.4571 5.4611 5.4611 7.3711 7.3711 7.3746 7.3746 8.0080 8.0080 8.0098 8.0098 17.8533 17.8533 17.8543 17.8543 18.5428 18.5428 18.5467 18.5467 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.4295-0.6139 ( 1398 PWs) bands (ev): -14.2600 -14.2600 -14.2597 -14.2597 -11.4404 -11.4404 -11.4401 -11.4401 -3.4152 -3.4152 -3.4139 -3.4139 0.3529 0.3529 0.3564 0.3564 2.8370 2.8370 2.8489 2.8489 5.2462 5.2462 5.2520 5.2520 7.3438 7.3438 7.3509 7.3509 7.9980 7.9980 8.0010 8.0010 17.8452 17.8452 17.8482 17.8482 18.5635 18.5635 18.5669 18.5669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.4295-0.4604 ( 1412 PWs) bands (ev): -14.2929 -14.2929 -14.2926 -14.2926 -11.5037 -11.5037 -11.5033 -11.5033 -2.8489 -2.8489 -2.8480 -2.8480 0.1543 0.1543 0.1592 0.1592 2.9137 2.9138 2.9260 2.9260 4.8752 4.8752 4.8813 4.8813 7.1659 7.1659 7.1771 7.1771 7.9754 7.9754 7.9826 7.9826 17.4337 17.4337 17.4379 17.4379 18.8080 18.8080 18.8129 18.8129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.4295-0.3069 ( 1414 PWs) bands (ev): -14.3681 -14.3681 -14.3678 -14.3678 -11.4879 -11.4879 -11.4875 -11.4875 -2.3429 -2.3429 -2.3417 -2.3416 -0.0482 -0.0481 -0.0422 -0.0422 3.1472 3.1472 3.1580 3.1580 4.6775 4.6775 4.6802 4.6802 6.7421 6.7421 6.7538 6.7538 7.9603 7.9603 7.9678 7.9678 16.8623 16.8623 16.8653 16.8653 18.9912 18.9912 18.9971 18.9971 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.4295-0.1535 ( 1426 PWs) bands (ev): -14.4521 -14.4521 -14.4520 -14.4520 -11.4077 -11.4077 -11.4075 -11.4075 -2.2214 -2.2214 -2.2203 -2.2203 -0.0406 -0.0406 -0.0363 -0.0363 3.5356 3.5356 3.5420 3.5420 4.7777 4.7777 4.7831 4.7831 6.0769 6.0769 6.0879 6.0879 7.9520 7.9520 7.9564 7.9564 16.5651 16.5651 16.5665 16.5665 18.7622 18.7622 18.7652 18.7652 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.5000-0.4295-1.5347 ( 1452 PWs) bands (ev): -14.4886 -14.4886 -14.4886 -14.4886 -11.3624 -11.3624 -11.3624 -11.3624 -2.2588 -2.2588 -2.2588 -2.2588 0.0187 0.0187 0.0187 0.0187 3.7428 3.7428 3.7428 3.7428 5.3033 5.3033 5.3033 5.3033 5.3191 5.3191 5.3191 5.3191 7.9495 7.9495 7.9495 7.9495 16.5292 16.5292 16.5292 16.5292 18.5124 18.5124 18.5124 18.5124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.1264 0.0959 ( 1398 PWs) bands (ev): -16.7228 -16.7228 -11.2447 -11.2443 -11.0627 -11.0624 -10.3929 -10.3926 -5.4961 -5.4958 -1.6246 -1.6231 -1.5537 -1.5519 -0.0612 -0.0589 2.7736 2.7763 3.0975 3.0990 4.9612 4.9637 5.9127 5.9143 6.2193 6.2223 7.4437 7.4478 7.7928 7.8059 8.1198 8.1336 15.7533 15.7547 18.2779 18.2835 18.3679 18.3720 18.6752 18.6762 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.1264 0.2494 ( 1397 PWs) bands (ev): -16.4601 -16.4600 -11.7269 -11.7264 -11.1872 -11.1868 -10.4832 -10.4828 -5.1869 -5.1863 -2.0308 -2.0298 -1.2891 -1.2874 0.2967 0.2998 2.5487 2.5536 3.6241 3.6269 5.3112 5.3148 5.8008 5.8052 6.2491 6.2542 7.0407 7.0463 7.6461 7.6681 7.8495 7.8729 16.2865 16.2896 18.2208 18.2259 18.4475 18.4509 18.8761 18.8793 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.1264 0.4029 ( 1399 PWs) bands (ev): -15.9839 -15.9837 -12.3890 -12.3885 -11.3584 -11.3581 -10.7393 -10.7390 -4.7082 -4.7074 -2.5275 -2.5265 -0.8292 -0.8263 0.6727 0.6750 2.2437 2.2510 4.2365 4.2382 5.1767 5.1822 5.8017 5.8038 6.3289 6.3303 7.1207 7.1307 7.4388 7.4453 7.7394 7.7459 16.8288 16.8327 18.2554 18.2603 18.6715 18.6781 18.8677 18.8760 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.1264 0.5563 ( 1395 PWs) bands (ev): -15.3331 -15.3328 -13.1395 -13.1390 -11.4782 -11.4779 -11.0694 -11.0691 -4.1803 -4.1792 -2.9626 -2.9614 -0.3554 -0.3516 0.7795 0.7799 2.2260 2.2352 3.8595 3.8688 5.1510 5.1541 5.8589 5.8624 6.8350 6.8407 7.0104 7.0180 7.7888 7.7960 7.8570 7.8609 17.2375 17.2397 18.2031 18.2087 18.6322 18.6400 18.8861 18.8950 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.1264 0.7098 ( 1398 PWs) bands (ev): -14.5729 -14.5726 -13.9350 -13.9346 -11.4817 -11.4815 -11.3295 -11.3293 -3.7357 -3.7348 -3.3123 -3.3113 0.0899 0.0930 0.4606 0.4627 2.6453 2.6551 3.2046 3.2148 5.2446 5.2481 5.5674 5.5717 7.2569 7.2622 7.3778 7.3809 7.9242 7.9264 7.9995 8.0031 17.6855 17.6865 18.0253 18.0290 18.3569 18.3605 18.6319 18.6351 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.1264-0.6714 ( 1395 PWs) bands (ev): -14.7673 -14.7670 -13.7360 -13.7357 -11.4920 -11.4918 -11.2793 -11.2791 -3.8286 -3.8275 -3.2357 -3.2346 -0.0245 -0.0210 0.5701 0.5718 2.5106 2.5206 3.3632 3.3742 5.2151 5.2194 5.6426 5.6469 7.1639 7.1704 7.3162 7.3204 7.9193 7.9226 7.9700 7.9751 17.5673 17.5683 18.0922 18.0973 18.4115 18.4170 18.6983 18.7031 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.1264-0.5180 ( 1400 PWs) bands (ev): -15.5092 -15.5090 -12.9458 -12.9453 -11.4576 -11.4573 -10.9878 -10.9875 -4.3102 -4.3091 -2.8617 -2.8605 -0.4683 -0.4646 0.7928 0.7936 2.1881 2.1970 4.0258 4.0335 5.1146 5.1165 5.8973 5.9003 6.7103 6.7146 6.9575 6.9655 7.7103 7.7175 7.8168 7.8212 17.1370 17.1398 18.2267 18.2321 18.6873 18.6954 18.8970 18.9070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.1264-0.3645 ( 1400 PWs) bands (ev): -16.1212 -16.1210 -12.2132 -12.2127 -11.3169 -11.3165 -10.6630 -10.6627 -4.8372 -4.8364 -2.4067 -2.4056 -0.9520 -0.9494 0.5924 0.5951 2.3072 2.3140 4.1250 4.1277 5.3460 5.3522 5.6962 5.6995 6.2454 6.2477 7.1830 7.1923 7.3964 7.4025 7.7407 7.7496 16.7106 16.7146 18.2501 18.2549 18.6021 18.6079 18.8834 18.8898 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.1264-0.2110 ( 1396 PWs) bands (ev): -16.5469 -16.5468 -11.5835 -11.5830 -11.1476 -11.1473 -10.4445 -10.4441 -5.2847 -5.2842 -1.9084 -1.9074 -1.3821 -1.3806 0.1950 0.1980 2.6237 2.6279 3.4619 3.4645 5.1992 5.2029 5.8339 5.8375 6.3101 6.3142 7.0653 7.0704 7.7037 7.7247 7.9293 7.9518 16.1343 16.1370 18.2223 18.2274 18.4191 18.4222 18.8433 18.8457 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.1264-0.0576 ( 1399 PWs) bands (ev): -16.7525 -16.7524 -11.1751 -11.1747 -11.0507 -11.0504 -10.3908 -10.3906 -5.5336 -5.5333 -1.6286 -1.6277 -1.5185 -1.5175 -0.1144 -0.1125 2.7970 2.7992 3.0309 3.0323 4.9199 4.9220 5.9601 5.9617 6.1510 6.1537 7.5526 7.5577 7.8098 7.8197 8.1440 8.1545 15.6784 15.6795 18.3033 18.3092 18.3582 18.3631 18.6227 18.6233 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.2529 0.1918 ( 1404 PWs) bands (ev): -16.3467 -16.3466 -11.9819 -11.9814 -11.1603 -11.1599 -10.6143 -10.6139 -4.9638 -4.9632 -1.6831 -1.6822 -1.3246 -1.3222 0.1492 0.1529 2.7703 2.7740 3.6948 3.6980 5.1750 5.1793 5.5918 5.5950 5.9580 5.9622 7.0293 7.0397 7.6859 7.7054 7.9785 8.0015 16.6185 16.6225 17.9961 18.0031 18.2677 18.2711 19.0203 19.0235 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.2529 0.3453 ( 1403 PWs) bands (ev): -15.9817 -15.9816 -12.5376 -12.5372 -11.2944 -11.2940 -10.7041 -10.7037 -4.6903 -4.6897 -1.9616 -1.9605 -0.9909 -0.9886 0.4097 0.4132 2.6707 2.6763 4.0580 4.0617 4.9425 4.9471 5.4408 5.4454 6.0051 6.0127 7.2173 7.2325 7.4677 7.4730 7.9763 7.9879 16.9793 16.9844 18.0636 18.0713 18.5139 18.5172 18.9489 18.9523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.2529 0.4988 ( 1401 PWs) bands (ev): -15.4614 -15.4612 -13.1122 -13.1119 -11.4588 -11.4585 -10.9455 -10.9452 -4.2837 -4.2830 -2.3273 -2.3261 -0.5742 -0.5713 0.5292 0.5306 2.5809 2.5889 3.7234 3.7284 5.0553 5.0589 5.4882 5.4934 6.6174 6.6233 6.8874 6.8930 7.7492 7.7603 8.0081 8.0146 17.1643 17.1668 18.1615 18.1674 18.6141 18.6192 18.8539 18.8601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.2529 0.6522 ( 1401 PWs) bands (ev): -14.8847 -14.8845 -13.6589 -13.6586 -11.5626 -11.5624 -11.2008 -11.2006 -3.8649 -3.8643 -2.6258 -2.6249 -0.2705 -0.2675 0.3321 0.3339 2.6337 2.6411 3.4973 3.5044 4.9742 4.9769 5.5733 5.5776 6.9302 6.9363 7.2717 7.2801 7.8972 7.9000 7.9962 8.0040 17.4592 17.4596 18.0523 18.0573 18.2826 18.2873 18.7447 18.7463 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.2529 0.8057 ( 1407 PWs) bands (ev): -14.6682 -14.6680 -13.8617 -13.8615 -11.5805 -11.5804 -11.2692 -11.2690 -3.7406 -3.7403 -2.7103 -2.7099 -0.1471 -0.1449 0.1797 0.1821 2.6931 2.6996 3.4758 3.4818 4.8794 4.8815 5.5714 5.5761 7.1651 7.1702 7.3315 7.3366 7.8363 7.8410 8.0411 8.0450 17.6308 17.6319 18.0015 18.0067 18.1023 18.1070 18.6527 18.6537 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.2529-0.5755 ( 1400 PWs) bands (ev): -15.1695 -15.1693 -13.3931 -13.3928 -11.5219 -11.5216 -11.0840 -11.0838 -4.0620 -4.0613 -2.4902 -2.4891 -0.4108 -0.4076 0.4697 0.4707 2.5855 2.5936 3.5599 3.5667 5.0834 5.0870 5.5395 5.5437 6.7465 6.7534 7.0543 7.0650 7.8842 7.8954 7.9798 7.9858 17.2906 17.2918 18.1251 18.1304 18.4614 18.4660 18.8423 18.8458 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.2529-0.4220 ( 1397 PWs) bands (ev): -15.7367 -15.7365 -12.8260 -12.8256 -11.3795 -11.3791 -10.8115 -10.8111 -4.4993 -4.4986 -2.1479 -2.1467 -0.7716 -0.7690 0.5024 0.5050 2.6122 2.6192 3.9713 3.9734 4.8986 4.9012 5.4652 5.4702 6.3179 6.3269 7.0226 7.0314 7.5912 7.6006 8.0015 8.0097 17.0725 17.0764 18.1356 18.1424 18.6571 18.6612 18.8485 18.8548 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.2529-0.2686 ( 1399 PWs) bands (ev): -16.1873 -16.1871 -12.2526 -12.2521 -11.2163 -11.2158 -10.6376 -10.6371 -4.8467 -4.8461 -1.7876 -1.7867 -1.1986 -1.1963 0.2814 0.2853 2.7331 2.7375 3.8932 3.8972 5.2071 5.2132 5.4545 5.4610 5.8106 5.8147 7.1674 7.1804 7.5682 7.5808 7.9575 7.9757 16.8320 16.8370 17.9979 18.0057 18.3690 18.3723 19.0234 19.0263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.2529-0.1151 ( 1402 PWs) bands (ev): -16.4554 -16.4553 -11.7467 -11.7462 -11.1411 -11.1408 -10.6218 -10.6214 -5.0407 -5.0402 -1.7161 -1.7152 -1.2960 -1.2942 0.0394 0.0425 2.7783 2.7817 3.5434 3.5459 5.0299 5.0337 5.7479 5.7514 6.1850 6.1885 6.9703 6.9779 7.7143 7.7289 8.0337 8.0505 16.4048 16.4076 18.0506 18.0566 18.2017 18.2055 18.9414 18.9446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.2529 0.0384 ( 1401 PWs) bands (ev): -16.5105 -16.5104 -11.5909 -11.5904 -11.1556 -11.1554 -10.6355 -10.6351 -5.0785 -5.0780 -1.7725 -1.7715 -1.2352 -1.2340 -0.0247 -0.0223 2.7751 2.7784 3.4619 3.4643 4.9402 4.9431 5.9113 5.9143 6.2000 6.2041 7.0262 7.0298 7.7057 7.7112 8.0675 8.0749 16.2734 16.2757 18.1086 18.1128 18.1640 18.1689 18.8625 18.8651 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.3793 0.2878 ( 1398 PWs) bands (ev): -15.8224 -15.8222 -12.8683 -12.8680 -11.2134 -11.2131 -10.7987 -10.7983 -4.5793 -4.5787 -1.6195 -1.6190 -0.8187 -0.8158 0.2083 0.2123 3.0793 3.0834 4.0589 4.0650 4.3886 4.3937 5.0880 5.0892 5.9227 5.9313 7.2506 7.2672 7.5942 7.5998 8.0988 8.1122 17.2023 17.2079 17.9631 17.9705 18.3663 18.3675 19.0563 19.0582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.3793 0.4412 ( 1402 PWs) bands (ev): -15.4990 -15.4989 -13.2494 -13.2492 -11.3184 -11.3180 -10.8814 -10.8811 -4.4087 -4.4084 -1.7436 -1.7427 -0.5368 -0.5343 0.2486 0.2513 3.0698 3.0763 3.6476 3.6521 4.6341 4.6393 4.8997 4.9051 6.5837 6.5928 6.7944 6.7996 7.8042 7.8160 8.1047 8.1136 17.1610 17.1633 18.1788 18.1837 18.6254 18.6280 18.8541 18.8557 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.3793 0.5947 ( 1401 PWs) bands (ev): -15.2122 -15.2120 -13.4373 -13.4371 -11.4813 -11.4811 -11.0507 -11.0505 -4.1042 -4.1038 -1.9916 -1.9907 -0.3831 -0.3805 0.1968 0.1984 2.7929 2.7972 3.5495 3.5567 4.7486 4.7537 5.2851 5.2870 6.5257 6.5346 7.1944 7.2070 7.9367 7.9439 8.0073 8.0204 17.2407 17.2413 18.0537 18.0572 18.3011 18.3034 18.8588 18.8614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.3793 0.7482 ( 1402 PWs) bands (ev): -15.0900 -15.0899 -13.4620 -13.4617 -11.5945 -11.5944 -11.1463 -11.1461 -3.8846 -3.8842 -2.1606 -2.1601 -0.4237 -0.4221 0.1820 0.1833 2.7171 2.7218 3.5972 3.6055 4.6401 4.6447 5.4549 5.4580 6.8990 6.9034 7.2110 7.2140 7.8487 7.8554 8.0792 8.0825 17.3616 17.3619 17.9413 17.9430 18.0484 18.0499 18.6820 18.6832 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.3793 0.9016 ( 1399 PWs) bands (ev): -15.1634 -15.1633 -13.4528 -13.4526 -11.5210 -11.5208 -11.0872 -11.0870 -4.0274 -4.0270 -2.0509 -2.0501 -0.3872 -0.3848 0.1881 0.1896 2.7521 2.7564 3.5663 3.5739 4.7212 4.7265 5.3582 5.3596 6.5933 6.6014 7.2632 7.2744 7.8913 7.8991 8.0362 8.0487 17.2788 17.2796 17.9964 17.9999 18.2270 18.2297 18.8096 18.8121 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.3793-0.4796 ( 1405 PWs) bands (ev): -15.4177 -15.4176 -13.3169 -13.3167 -11.3565 -11.3561 -10.9211 -10.9208 -4.3408 -4.3404 -1.8016 -1.8006 -0.4743 -0.4718 0.2405 0.2427 3.0087 3.0148 3.5702 3.5755 4.7175 4.7222 4.9646 4.9694 6.6079 6.6157 6.8222 6.8319 7.8632 7.8756 8.0775 8.0857 17.1662 17.1679 18.1814 18.1856 18.5562 18.5577 18.8764 18.8783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.3793-0.3261 ( 1398 PWs) bands (ev): -15.7463 -15.7462 -12.9766 -12.9763 -11.2301 -11.2297 -10.8065 -10.8062 -4.5527 -4.5523 -1.6265 -1.6259 -0.7558 -0.7529 0.2255 0.2294 3.1010 3.1054 4.0597 4.0628 4.3224 4.3248 4.9870 4.9893 6.0817 6.0911 7.1566 7.1701 7.6274 7.6350 8.1162 8.1281 17.1905 17.1952 18.0378 18.0444 18.4666 18.4686 19.0048 19.0063 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.3793-0.1727 ( 1401 PWs) bands (ev): -16.0079 -16.0078 -12.5288 -12.5284 -11.2227 -11.2224 -10.8085 -10.8082 -4.6043 -4.6037 -1.7210 -1.7201 -0.9131 -0.9107 0.1675 0.1709 2.9812 2.9854 3.8468 3.8510 4.7985 4.8016 5.2622 5.2680 5.8448 5.8499 7.2221 7.2361 7.6962 7.7086 8.0216 8.0406 17.1380 17.1443 17.8115 17.8193 18.1100 18.1124 19.0465 19.0498 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.3793-0.0192 ( 1406 PWs) bands (ev): -16.1191 -16.1189 -12.2254 -12.2249 -11.3213 -11.3212 -10.8242 -10.8239 -4.5848 -4.5842 -1.8899 -1.8890 -0.9141 -0.9128 0.1588 0.1609 2.8952 2.8994 3.7226 3.7252 4.9037 4.9053 5.2411 5.2441 6.3565 6.3580 7.0526 7.0552 7.6798 7.6840 8.0437 8.0478 16.9387 16.9426 17.8870 17.8900 17.9239 17.9294 18.8809 18.8839 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000-0.3793 0.1343 ( 1400 PWs) bands (ev): -16.0517 -16.0516 -12.4239 -12.4234 -11.2466 -11.2463 -10.8148 -10.8144 -4.6003 -4.5997 -1.7772 -1.7763 -0.9182 -0.9161 0.1617 0.1647 2.9496 2.9538 3.7960 3.7997 4.8886 4.8907 5.2157 5.2210 5.9980 6.0014 7.1689 7.1810 7.7190 7.7317 8.0120 8.0299 17.0772 17.0826 17.8136 17.8204 18.0476 18.0505 18.9985 19.0019 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5058-0.3837 ( 1396 PWs) bands (ev): -15.5006 -15.5006 -13.3311 -13.3311 -11.2185 -11.2185 -10.8840 -10.8840 -4.4630 -4.4630 -1.5633 -1.5633 -0.3584 -0.3584 0.0653 0.0653 3.5733 3.5733 3.5808 3.5808 4.2295 4.2295 4.5848 4.5848 6.5668 6.5668 6.7820 6.7820 7.8955 7.8955 8.0846 8.0846 17.1940 17.1940 18.2253 18.2253 18.5652 18.5652 18.9118 18.9118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5058-0.2302 ( 1397 PWs) bands (ev): -15.5446 -15.5445 -13.1910 -13.1907 -11.2890 -11.2889 -10.9285 -10.9284 -4.3741 -4.3737 -1.6826 -1.6818 -0.4731 -0.4711 0.1356 0.1372 3.2885 3.2946 3.4981 3.5047 4.4746 4.4790 4.9939 4.9995 6.1461 6.1551 7.2286 7.2429 7.8110 7.8188 8.0703 8.0840 17.2367 17.2385 18.0173 18.0210 18.2795 18.2826 19.0043 19.0072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5058-0.0767 ( 1404 PWs) bands (ev): -15.6095 -15.6093 -12.9364 -12.9361 -11.4540 -11.4538 -10.9838 -10.9835 -4.2042 -4.2036 -1.9161 -1.9152 -0.6323 -0.6307 0.2597 0.2608 3.1686 3.1737 3.2883 3.2947 4.7810 4.7845 5.1594 5.1628 6.4176 6.4227 7.2490 7.2575 7.7853 7.7935 8.0584 8.0685 17.2465 17.2485 17.8161 17.8200 17.9966 18.0006 18.8295 18.8321 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.0191 0.0959 ( 1398 PWs) bands (ev): -16.7228 -16.7228 -11.2447 -11.2443 -11.0627 -11.0624 -10.3929 -10.3926 -5.4961 -5.4958 -1.6246 -1.6231 -1.5537 -1.5519 -0.0612 -0.0589 2.7736 2.7763 3.0975 3.0990 4.9612 4.9637 5.9127 5.9143 6.2193 6.2223 7.4437 7.4478 7.7928 7.8059 8.1198 8.1336 15.7533 15.7547 18.2779 18.2835 18.3679 18.3720 18.6752 18.6762 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.0191 0.2494 ( 1397 PWs) bands (ev): -16.4601 -16.4600 -11.7269 -11.7264 -11.1872 -11.1868 -10.4832 -10.4828 -5.1869 -5.1863 -2.0308 -2.0298 -1.2891 -1.2874 0.2967 0.2998 2.5487 2.5536 3.6241 3.6269 5.3112 5.3148 5.8008 5.8052 6.2491 6.2542 7.0407 7.0463 7.6461 7.6681 7.8495 7.8729 16.2865 16.2896 18.2208 18.2259 18.4475 18.4509 18.8761 18.8793 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.0191 0.4029 ( 1399 PWs) bands (ev): -15.9839 -15.9837 -12.3890 -12.3885 -11.3584 -11.3581 -10.7393 -10.7390 -4.7082 -4.7074 -2.5275 -2.5265 -0.8292 -0.8263 0.6727 0.6750 2.2437 2.2510 4.2365 4.2382 5.1767 5.1822 5.8017 5.8038 6.3289 6.3303 7.1207 7.1307 7.4388 7.4453 7.7394 7.7459 16.8288 16.8327 18.2554 18.2603 18.6715 18.6782 18.8677 18.8760 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.0191 0.5563 ( 1395 PWs) bands (ev): -15.3331 -15.3328 -13.1395 -13.1390 -11.4782 -11.4779 -11.0694 -11.0691 -4.1803 -4.1792 -2.9626 -2.9614 -0.3554 -0.3516 0.7795 0.7799 2.2260 2.2352 3.8595 3.8688 5.1510 5.1541 5.8589 5.8624 6.8350 6.8407 7.0104 7.0180 7.7888 7.7960 7.8570 7.8609 17.2375 17.2397 18.2031 18.2087 18.6322 18.6400 18.8861 18.8950 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.0191 0.7098 ( 1398 PWs) bands (ev): -14.5729 -14.5726 -13.9350 -13.9346 -11.4817 -11.4815 -11.3295 -11.3293 -3.7357 -3.7348 -3.3123 -3.3113 0.0899 0.0930 0.4606 0.4627 2.6453 2.6551 3.2046 3.2148 5.2446 5.2481 5.5674 5.5717 7.2569 7.2622 7.3778 7.3809 7.9242 7.9264 7.9995 8.0031 17.6855 17.6865 18.0253 18.0290 18.3569 18.3605 18.6319 18.6351 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.0191-0.6714 ( 1395 PWs) bands (ev): -14.7673 -14.7670 -13.7360 -13.7357 -11.4920 -11.4918 -11.2793 -11.2791 -3.8286 -3.8275 -3.2357 -3.2346 -0.0245 -0.0210 0.5701 0.5718 2.5106 2.5206 3.3632 3.3742 5.2151 5.2194 5.6426 5.6469 7.1639 7.1704 7.3162 7.3204 7.9193 7.9226 7.9700 7.9751 17.5673 17.5683 18.0922 18.0973 18.4115 18.4170 18.6983 18.7031 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.0191-0.5180 ( 1400 PWs) bands (ev): -15.5092 -15.5090 -12.9458 -12.9453 -11.4576 -11.4573 -10.9878 -10.9875 -4.3102 -4.3091 -2.8617 -2.8605 -0.4683 -0.4646 0.7928 0.7936 2.1881 2.1970 4.0258 4.0335 5.1146 5.1165 5.8973 5.9003 6.7103 6.7146 6.9575 6.9655 7.7103 7.7175 7.8168 7.8212 17.1370 17.1398 18.2267 18.2321 18.6873 18.6954 18.8970 18.9070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.0191-0.3645 ( 1400 PWs) bands (ev): -16.1212 -16.1210 -12.2132 -12.2127 -11.3169 -11.3165 -10.6630 -10.6627 -4.8372 -4.8364 -2.4067 -2.4056 -0.9520 -0.9494 0.5924 0.5951 2.3072 2.3140 4.1250 4.1277 5.3460 5.3522 5.6962 5.6995 6.2454 6.2477 7.1830 7.1923 7.3964 7.4025 7.7407 7.7496 16.7106 16.7146 18.2501 18.2549 18.6021 18.6079 18.8834 18.8898 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.0191-0.2110 ( 1396 PWs) bands (ev): -16.5469 -16.5468 -11.5835 -11.5830 -11.1476 -11.1473 -10.4445 -10.4441 -5.2847 -5.2842 -1.9084 -1.9074 -1.3821 -1.3806 0.1950 0.1980 2.6237 2.6279 3.4619 3.4645 5.1992 5.2029 5.8339 5.8375 6.3101 6.3142 7.0653 7.0704 7.7037 7.7247 7.9293 7.9518 16.1343 16.1370 18.2223 18.2274 18.4191 18.4222 18.8433 18.8457 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.0191-0.0576 ( 1399 PWs) bands (ev): -16.7525 -16.7524 -11.1751 -11.1747 -11.0507 -11.0504 -10.3908 -10.3906 -5.5336 -5.5333 -1.6286 -1.6277 -1.5185 -1.5175 -0.1144 -0.1125 2.7970 2.7992 3.0309 3.0323 4.9199 4.9220 5.9601 5.9617 6.1510 6.1537 7.5526 7.5577 7.8098 7.8197 8.1440 8.1545 15.6784 15.6795 18.3033 18.3092 18.3582 18.3631 18.6227 18.6233 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.1074 0.1918 ( 1403 PWs) bands (ev): -16.5174 -16.5173 -11.5676 -11.5671 -11.1605 -11.1604 -10.6377 -10.6374 -5.0832 -5.0827 -1.7808 -1.7798 -1.2258 -1.2248 -0.0332 -0.0310 2.7744 2.7776 3.4514 3.4538 4.9284 4.9312 5.9462 5.9485 6.1838 6.1880 7.0417 7.0445 7.7041 7.7057 8.0721 8.0768 16.2558 16.2580 18.1203 18.1220 18.1576 18.1627 18.8502 18.8527 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.1074 0.3453 ( 1406 PWs) bands (ev): -16.1237 -16.1235 -12.2000 -12.1995 -11.3249 -11.3247 -10.7099 -10.7096 -4.7850 -4.7843 -2.2846 -2.2836 -0.9275 -0.9253 0.4777 0.4799 2.5261 2.5323 3.9014 3.9036 5.2999 5.3037 5.3380 5.3395 6.4421 6.4447 7.1728 7.1732 7.6695 7.6736 7.7251 7.7292 16.7612 16.7649 18.1535 18.1560 18.2917 18.2994 18.8303 18.8350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.1074 0.4988 ( 1399 PWs) bands (ev): -15.5433 -15.5431 -12.9058 -12.9054 -11.4641 -11.4639 -10.9617 -10.9615 -4.3498 -4.3489 -2.7553 -2.7542 -0.6110 -0.6079 0.7096 0.7103 2.4516 2.4601 3.7072 3.7122 5.3350 5.3351 5.7568 5.7589 6.7590 6.7608 7.2278 7.2381 7.5990 7.6034 7.7524 7.7587 17.1302 17.1329 18.2050 18.2088 18.5156 18.5216 18.6749 18.6803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.1074 0.6522 ( 1395 PWs) bands (ev): -14.8296 -14.8294 -13.6617 -13.6613 -11.4940 -11.4938 -11.2536 -11.2535 -3.8509 -3.8497 -3.1768 -3.1756 -0.3132 -0.3104 0.3914 0.3927 2.7729 2.7829 3.3862 3.3960 5.4992 5.5022 5.7055 5.7092 7.2233 7.2242 7.2501 7.2596 7.8346 7.8379 7.8632 7.8686 17.5128 17.5133 18.1119 18.1157 18.3882 18.3897 18.3954 18.3965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.1074 0.8057 ( 1395 PWs) bands (ev): -14.4444 -14.4441 -14.0524 -14.0520 -11.4519 -11.4517 -11.3702 -11.3701 -3.6108 -3.6096 -3.3873 -3.3861 -0.1163 -0.1140 0.1280 0.1299 3.0098 3.0205 3.2247 3.2350 5.5230 5.5266 5.5978 5.6020 7.3668 7.3724 7.3725 7.3767 7.8646 7.8662 7.8711 7.8733 17.7360 17.7365 17.9552 17.9573 18.2935 18.2938 18.3064 18.3072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.1074-0.5755 ( 1399 PWs) bands (ev): -15.1990 -15.1988 -13.2784 -13.2780 -11.4967 -11.4965 -11.1123 -11.1121 -4.1015 -4.1004 -2.9696 -2.9684 -0.4692 -0.4661 0.6105 0.6109 2.5699 2.5792 3.5268 3.5347 5.4625 5.4640 5.7839 5.7870 6.9886 6.9908 7.1648 7.1749 7.7465 7.7502 7.8202 7.8267 17.3101 17.3117 18.1850 18.1892 18.4910 18.4950 18.5445 18.5490 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.1074-0.4220 ( 1401 PWs) bands (ev): -15.8540 -15.8538 -12.5458 -12.5454 -11.4036 -11.4034 -10.8210 -10.8208 -4.5815 -4.5806 -2.5273 -2.5263 -0.7627 -0.7599 0.6554 0.6571 2.4421 2.4495 3.8959 3.8970 5.2012 5.2032 5.5879 5.5882 6.5861 6.5864 7.3376 7.3439 7.5047 7.5058 7.6947 7.6998 16.9573 16.9608 18.1878 18.1910 18.4297 18.4371 18.7679 18.7732 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.1074-0.2686 ( 1405 PWs) bands (ev): -16.3464 -16.3463 -11.8717 -11.8712 -11.2397 -11.2395 -10.6451 -10.6448 -4.9535 -4.9528 -2.0318 -2.0309 -1.0890 -1.0874 0.2315 0.2339 2.6558 2.6605 3.6990 3.7019 5.0992 5.1015 5.6371 5.6410 6.3040 6.3079 7.0257 7.0272 7.6802 7.6827 7.9422 7.9470 16.5205 16.5237 18.1244 18.1265 18.1891 18.1959 18.8609 18.8646 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.1074-0.1151 ( 1400 PWs) bands (ev): -16.6333 -16.6333 -11.2997 -11.2992 -11.0994 -11.0993 -10.6897 -10.6893 -5.1717 -5.1714 -1.5540 -1.5532 -1.3224 -1.3218 -0.2738 -0.2720 2.8472 2.8490 3.2523 3.2538 4.8376 4.8399 6.0548 6.0558 6.1010 6.1043 7.2962 7.3001 7.7271 7.7281 8.0732 8.0777 16.0255 16.0267 18.1511 18.1523 18.1761 18.1793 18.7908 18.7921 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.1074 0.0384 ( 1401 PWs) bands (ev): -16.6918 -16.6918 -11.0991 -11.0988 -11.0661 -11.0661 -10.7796 -10.7793 -5.2168 -5.2167 -1.4007 -1.4003 -1.3716 -1.3714 -0.4338 -0.4331 2.8760 2.8765 3.1437 3.1442 4.8051 4.8060 6.0549 6.0549 6.0649 6.0659 7.6314 7.6356 7.7412 7.7421 7.9345 7.9384 15.8915 15.8919 18.1959 18.1965 18.2037 18.2047 18.7156 18.7160 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.2338 0.2878 ( 1403 PWs) bands (ev): -16.0851 -16.0850 -12.3326 -12.3321 -11.2761 -11.2759 -10.8196 -10.8193 -4.5941 -4.5935 -1.8292 -1.8282 -0.9179 -0.9161 0.1592 0.1618 2.9234 2.9276 3.7588 3.7620 4.9253 4.9268 5.2004 5.2049 6.1556 6.1578 7.1180 7.1277 7.7141 7.7239 8.0195 8.0329 17.0150 17.0196 17.8331 17.8388 17.9966 18.0000 18.9470 18.9503 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.2338 0.4412 ( 1400 PWs) bands (ev): -15.6153 -15.6152 -12.9091 -12.9087 -11.4401 -11.4398 -10.9088 -10.9085 -4.3863 -4.3856 -2.2564 -2.2553 -0.6830 -0.6806 0.4745 0.4757 2.8529 2.8603 3.4489 3.4518 5.1332 5.1383 5.3827 5.3891 6.5147 6.5204 7.3186 7.3296 7.6439 7.6507 7.9151 7.9255 17.2030 17.2061 18.0173 18.0218 18.2889 18.2929 18.7451 18.7497 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.2338 0.5947 ( 1400 PWs) bands (ev): -15.0340 -15.0338 -13.4886 -13.4883 -11.5371 -11.5369 -11.1328 -11.1327 -4.0160 -4.0152 -2.6687 -2.6676 -0.5254 -0.5227 0.2672 0.2683 2.9259 2.9338 3.3403 3.3479 5.3804 5.3853 5.7089 5.7118 6.9827 6.9846 7.2183 7.2293 7.7698 7.7782 7.8894 7.8934 17.4606 17.4619 18.0085 18.0110 18.3181 18.3229 18.5077 18.5124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.2338 0.7482 ( 1405 PWs) bands (ev): -14.5334 -14.5332 -13.9657 -13.9655 -11.5371 -11.5370 -11.3035 -11.3034 -3.6811 -3.6807 -2.9725 -2.9720 -0.3500 -0.3477 -0.1361 -0.1339 3.0698 3.0778 3.4539 3.4629 5.3270 5.3315 5.7834 5.7873 7.3190 7.3226 7.3801 7.3856 7.7631 7.7657 7.8273 7.8294 17.8317 17.8322 17.8795 17.8811 18.0262 18.0268 18.3342 18.3347 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.2338 0.9016 ( 1404 PWs) bands (ev): -14.8848 -14.8846 -13.6302 -13.6299 -11.5440 -11.5438 -11.1906 -11.1905 -3.9112 -3.9104 -2.7656 -2.7646 -0.4873 -0.4847 0.1551 0.1565 2.9689 2.9768 3.3740 3.3821 5.3754 5.3802 5.7539 5.7565 7.0766 7.0789 7.2657 7.2776 7.7862 7.7938 7.8710 7.8735 17.5505 17.5515 17.9664 17.9684 18.2689 18.2726 18.4450 18.4484 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.2338-0.4796 ( 1401 PWs) bands (ev): -15.4769 -15.4767 -13.0544 -13.0541 -11.4736 -11.4734 -10.9575 -10.9573 -4.3071 -4.3064 -2.3616 -2.3605 -0.6371 -0.6346 0.4756 0.4763 2.8549 2.8627 3.3688 3.3733 5.2322 5.2379 5.4687 5.4752 6.6314 6.6374 7.2866 7.2967 7.6622 7.6697 7.9135 7.9219 17.2523 17.2549 18.0461 18.0502 18.3327 18.3373 18.6881 18.6933 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.2338-0.3261 ( 1407 PWs) bands (ev): -15.9824 -15.9823 -12.4751 -12.4746 -11.3186 -11.3183 -10.8236 -10.8233 -4.5574 -4.5568 -1.9359 -1.9349 -0.8551 -0.8532 0.2705 0.2729 2.9000 2.9051 3.7324 3.7349 4.9518 4.9528 5.1668 5.1718 6.2260 6.2291 7.1922 7.2024 7.7075 7.7181 7.9777 7.9924 17.0730 17.0776 17.8739 17.8794 18.0668 18.0705 18.9035 18.9070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.2338-0.1727 ( 1406 PWs) bands (ev): -16.3234 -16.3234 -11.9264 -11.9259 -11.1669 -11.1667 -10.8805 -10.8801 -4.6600 -4.6595 -1.5270 -1.5260 -1.0815 -1.0795 -0.2038 -0.2010 2.9557 2.9578 3.6468 3.6493 4.8059 4.8095 5.6625 5.6660 6.0635 6.0656 6.9413 6.9495 7.6943 7.7017 8.0598 8.0699 16.7560 16.7589 17.8150 17.8195 17.8881 17.8910 19.0218 19.0248 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.2338-0.0192 ( 1411 PWs) bands (ev): -16.4600 -16.4600 -11.5568 -11.5563 -11.1468 -11.1467 -10.9985 -10.9981 -4.6866 -4.6863 -1.3192 -1.3182 -1.1197 -1.1190 -0.5314 -0.5297 2.9281 2.9288 3.5056 3.5069 4.7643 4.7669 5.9812 5.9827 6.1069 6.1089 7.0874 7.0897 7.6384 7.6408 7.9039 7.9074 16.4979 16.4990 17.9014 17.9026 17.9110 17.9137 18.9654 18.9670 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.2338 0.1343 ( 1405 PWs) bands (ev): -16.3777 -16.3777 -11.8048 -11.8043 -11.1436 -11.1433 -10.9185 -10.9182 -4.6714 -4.6710 -1.4421 -1.4410 -1.1163 -1.1141 -0.3154 -0.3127 2.9505 2.9522 3.5957 3.5978 4.7855 4.7891 5.7941 5.7976 6.0833 6.0855 6.9332 6.9403 7.6829 7.6899 8.0295 8.0389 16.6638 16.6660 17.8384 17.8422 17.8845 17.8872 19.0203 19.0230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.3603 0.3837 ( 1393 PWs) bands (ev): -15.5632 -15.5631 -13.1249 -13.1247 -11.3276 -11.3274 -10.9458 -10.9456 -4.3308 -4.3303 -1.7417 -1.7408 -0.5203 -0.5183 0.1690 0.1706 3.2342 3.2400 3.4399 3.4465 4.5834 4.5879 5.0814 5.0875 6.1320 6.1407 7.2954 7.3100 7.7905 7.7989 8.0619 8.0770 17.2509 17.2531 17.9369 17.9412 18.1960 18.1995 18.9815 18.9846 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.3603 0.5371 ( 1403 PWs) bands (ev): -15.2188 -15.2187 -13.4184 -13.4182 -11.4630 -11.4628 -11.0179 -11.0178 -4.2252 -4.2247 -2.1307 -2.1297 -0.4342 -0.4315 0.1950 0.1961 2.9117 2.9160 3.3850 3.3944 5.0054 5.0115 5.4051 5.4080 6.8006 6.8100 7.0074 7.0194 7.8743 7.8816 7.9861 7.9917 17.4076 17.4080 17.9291 17.9299 18.5113 18.5144 18.6254 18.6288 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.3603 0.6906 ( 1402 PWs) bands (ev): -14.9941 -14.9939 -13.5379 -13.5376 -11.5639 -11.5637 -11.1324 -11.1323 -3.9879 -3.9874 -2.5087 -2.5078 -0.5270 -0.5245 0.1091 0.1105 2.9876 2.9941 3.3654 3.3752 5.2182 5.2239 5.7037 5.7055 6.9854 6.9907 7.2889 7.2991 7.7822 7.7889 7.8904 7.8978 17.5142 17.5150 17.9067 17.9073 18.2823 18.2854 18.4534 18.4568 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.3603-0.2302 ( 1413 PWs) bands (ev): -15.8748 -15.8747 -12.7155 -12.7151 -11.2279 -11.2276 -11.0044 -11.0043 -4.2682 -4.2675 -1.4751 -1.4744 -0.7183 -0.7156 -0.0953 -0.0923 3.2719 3.2747 3.8391 3.8440 4.4079 4.4113 5.2812 5.2870 5.5695 5.5734 7.2306 7.2443 7.7967 7.8070 8.0646 8.0817 17.2684 17.2735 17.6506 17.6563 17.7891 17.7916 19.1847 19.1883 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250-0.3603-0.0767 ( 1415 PWs) bands (ev): -16.0522 -16.0521 -12.3567 -12.3564 -11.2660 -11.2658 -11.0662 -11.0660 -4.1687 -4.1682 -1.4335 -1.4327 -0.8074 -0.8059 -0.2893 -0.2872 3.1425 3.1437 3.7762 3.7793 4.6459 4.6491 5.3107 5.3140 6.0109 6.0130 6.9510 6.9589 7.6921 7.6956 8.0387 8.0442 17.2523 17.2578 17.5004 17.5055 17.5890 17.5922 19.0516 19.0539 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.5249-0.2878 ( 1405 PWs) bands (ev): -15.4177 -15.4176 -13.3169 -13.3167 -11.3565 -11.3561 -10.9211 -10.9208 -4.3408 -4.3404 -1.8016 -1.8006 -0.4743 -0.4718 0.2405 0.2427 3.0087 3.0148 3.5702 3.5755 4.7175 4.7222 4.9646 4.9694 6.6079 6.6157 6.8222 6.8319 7.8632 7.8756 8.0775 8.0857 17.1662 17.1679 18.1814 18.1856 18.5562 18.5577 18.8764 18.8783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.5249-0.1343 ( 1399 PWs) bands (ev): -15.4657 -15.4655 -13.1049 -13.1046 -11.4481 -11.4479 -10.9491 -10.9489 -4.3273 -4.3266 -2.2680 -2.2669 -0.6098 -0.6072 0.4409 0.4418 2.8604 2.8679 3.3996 3.4044 5.1430 5.1486 5.4439 5.4507 6.5848 6.5926 7.1994 7.2096 7.6887 7.6977 7.9693 7.9780 17.2747 17.2775 18.0190 18.0236 18.4099 18.4142 18.7230 18.7282 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.5249 0.0192 ( 1400 PWs) bands (ev): -15.4894 -15.4892 -12.9962 -12.9958 -11.5049 -11.5047 -10.9670 -10.9668 -4.2787 -4.2780 -2.4666 -2.4656 -0.6665 -0.6640 0.5122 0.5127 2.8551 2.8633 3.3358 3.3397 5.3725 5.3786 5.4231 5.4292 6.7296 6.7322 7.3617 7.3661 7.6821 7.6848 7.8045 7.8112 17.2110 17.2131 18.1296 18.1326 18.2243 18.2284 18.6297 18.6334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.5249 0.1727 ( 1400 PWs) bands (ev): -15.4525 -15.4524 -13.1621 -13.1618 -11.4209 -11.4206 -10.9398 -10.9396 -4.3444 -4.3438 -2.1576 -2.1565 -0.5765 -0.5739 0.3975 0.3987 2.8750 2.8821 3.4379 3.4430 5.0441 5.0497 5.3714 5.3782 6.5746 6.5837 7.0874 7.0969 7.7283 7.7383 8.0156 8.0244 17.2798 17.2827 18.0212 18.0262 18.4957 18.4999 18.7459 18.7509 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.5249 0.3261 ( 1399 PWs) bands (ev): -15.4134 -15.4133 -13.3473 -13.3472 -11.3453 -11.3449 -10.9229 -10.9225 -4.3156 -4.3153 -1.6945 -1.6937 -0.4518 -0.4494 0.1870 0.1894 3.0919 3.0974 3.6034 3.6086 4.5835 4.5869 4.8638 4.8674 6.4520 6.4596 6.9176 6.9294 7.9062 7.9192 8.0712 8.0791 17.1104 17.1116 18.2383 18.2426 18.4646 18.4666 18.9742 18.9769 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.5249-1.0551 ( 1403 PWs) bands (ev): -15.4555 -15.4555 -13.3071 -13.3070 -11.3544 -11.3538 -10.9897 -10.9892 -4.1089 -4.1085 -1.4299 -1.4291 -0.4504 -0.4485 -0.0022 -0.0004 3.4727 3.4770 3.6409 3.6448 4.0508 4.0544 4.9926 4.9957 5.7982 5.8039 7.2887 7.3035 7.9381 7.9415 8.0520 8.0639 16.9574 16.9578 17.9409 17.9427 18.2935 18.2951 19.2657 19.2701 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.5249-0.9016 ( 1408 PWs) bands (ev): -15.5436 -15.5435 -13.0967 -13.0964 -11.4167 -11.4162 -11.1165 -11.1162 -3.8326 -3.8320 -1.4966 -1.4959 -0.5093 -0.5086 -0.0646 -0.0641 3.3149 3.3182 3.5969 3.6002 4.3111 4.3134 5.0511 5.0548 5.9235 5.9292 7.2321 7.2426 7.8003 7.8038 8.1326 8.1397 17.0039 17.0052 17.5262 17.5289 18.0866 18.0881 19.1492 19.1520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.5249-0.7482 ( 1408 PWs) bands (ev): -15.5776 -15.5775 -12.9948 -12.9946 -11.4519 -11.4518 -11.1706 -11.1704 -3.7147 -3.7142 -1.5924 -1.5921 -0.5413 -0.5412 -0.0413 -0.0407 3.2993 3.3001 3.4762 3.4768 4.4255 4.4281 5.0302 5.0310 6.3349 6.3377 6.9636 6.9658 7.7728 7.7786 8.1531 8.1546 17.1083 17.1095 17.3630 17.3642 17.9827 17.9830 18.9936 18.9949 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.5249-0.5947 ( 1407 PWs) bands (ev): -15.5233 -15.5233 -13.1515 -13.1513 -11.3994 -11.3989 -11.0856 -11.0852 -3.8979 -3.8972 -1.4568 -1.4561 -0.4927 -0.4919 -0.0666 -0.0661 3.3452 3.3491 3.6511 3.6551 4.2106 4.2136 5.0900 5.0944 5.7788 5.7850 7.3015 7.3141 7.8210 7.8237 8.1187 8.1276 16.9736 16.9747 17.6114 17.6141 18.1426 18.1441 19.2155 19.2189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.5249-0.4412 ( 1400 PWs) bands (ev): -15.4368 -15.4368 -13.3407 -13.3407 -11.3450 -11.3445 -10.9642 -10.9637 -4.1732 -4.1729 -1.4655 -1.4648 -0.4410 -0.4390 0.0395 0.0418 3.4300 3.4315 3.6041 3.6065 4.1466 4.1499 4.9045 4.9077 5.9426 5.9485 7.2195 7.2338 7.9827 7.9851 8.0233 8.0338 16.9792 16.9795 18.0683 18.0699 18.3188 18.3208 19.2216 19.2258 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.3984-0.1918 ( 1402 PWs) bands (ev): -15.8636 -15.8635 -12.6818 -12.6814 -11.3369 -11.3365 -10.7534 -10.7530 -4.5987 -4.5980 -2.0548 -2.0536 -0.8801 -0.8777 0.4625 0.4656 2.6390 2.6453 4.0559 4.0582 4.8733 4.8767 5.4527 5.4575 6.1559 6.1645 7.1305 7.1420 7.5164 7.5241 7.9898 7.9994 17.0294 17.0339 18.1030 18.1103 18.5941 18.5975 18.8962 18.9005 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.3984-0.0384 ( 1402 PWs) bands (ev): -15.9889 -15.9888 -12.3864 -12.3859 -11.3625 -11.3623 -10.7600 -10.7597 -4.6844 -4.6836 -2.3916 -2.3905 -0.8456 -0.8431 0.5726 0.5747 2.4822 2.4890 3.9371 3.9382 5.1938 5.1970 5.4763 5.4777 6.4814 6.4827 7.2684 7.2732 7.5682 7.5759 7.7138 7.7239 16.8762 16.8800 18.1624 18.1658 18.3719 18.3790 18.8107 18.8159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.3984 0.1151 ( 1400 PWs) bands (ev): -15.9463 -15.9461 -12.4986 -12.4981 -11.3445 -11.3442 -10.7559 -10.7556 -4.6588 -4.6580 -2.2692 -2.2681 -0.8572 -0.8547 0.5294 0.5318 2.5385 2.5452 3.9761 3.9780 5.0737 5.0770 5.5261 5.5297 6.2851 6.2888 7.2633 7.2759 7.4902 7.4955 7.8522 7.8629 16.9557 16.9599 18.1105 18.1163 18.4557 18.4603 18.8591 18.8646 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.3984 0.2686 ( 1399 PWs) bands (ev): -15.7467 -15.7466 -12.8926 -12.8922 -11.3570 -11.3565 -10.7639 -10.7634 -4.4960 -4.4955 -1.8011 -1.8000 -0.9058 -0.9033 0.3952 0.3990 2.7662 2.7719 4.1506 4.1520 4.6525 4.6546 5.1474 5.1509 6.2851 6.2957 6.8931 6.9018 7.6149 7.6252 8.0939 8.1027 17.0059 17.0097 18.2119 18.2188 18.7358 18.7395 18.8687 18.8723 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.3984 0.4220 ( 1394 PWs) bands (ev): -15.4509 -15.4508 -13.2802 -13.2799 -11.4594 -11.4589 -10.8684 -10.8678 -4.1688 -4.1686 -1.5122 -1.5113 -0.7819 -0.7791 0.2824 0.2866 3.0025 3.0080 3.7920 3.7962 4.6313 4.6348 4.7989 4.8006 6.2747 6.2782 6.8254 6.8352 7.8488 7.8623 8.1623 8.1703 16.8201 16.8215 18.3144 18.3189 18.5730 18.5777 19.1616 19.1664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.3984-0.9592 ( 1405 PWs) bands (ev): -15.1768 -15.1767 -13.5107 -13.5105 -11.5548 -11.5543 -11.0857 -11.0853 -3.7474 -3.7470 -1.6859 -1.6852 -0.4170 -0.4150 0.1585 0.1612 2.8710 2.8751 3.5948 3.5979 4.4703 4.4734 5.0921 5.0932 6.1328 6.1396 7.2232 7.2341 7.8659 7.8705 8.1745 8.1780 16.8161 16.8168 17.8686 17.8713 18.5051 18.5076 19.2471 19.2511 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.3984-0.8057 ( 1407 PWs) bands (ev): -15.0456 -15.0455 -13.5723 -13.5721 -11.5690 -11.5688 -11.2788 -11.2786 -3.4319 -3.4315 -1.8989 -1.8986 -0.2900 -0.2894 0.1231 0.1245 2.7204 2.7233 3.6862 3.6870 4.2724 4.2744 5.1367 5.1390 6.6815 6.6868 7.0979 7.1020 7.8432 7.8494 8.1728 8.1749 17.0666 17.0676 17.4754 17.4770 18.3503 18.3516 19.0137 19.0149 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.3984-0.6522 ( 1405 PWs) bands (ev): -15.0893 -15.0892 -13.5566 -13.5565 -11.5713 -11.5710 -11.2010 -11.2006 -3.5542 -3.5538 -1.8120 -1.8115 -0.3175 -0.3159 0.1246 0.1266 2.7628 2.7658 3.6523 3.6544 4.3602 4.3627 5.1195 5.1211 6.3841 6.3904 7.2511 7.2589 7.8208 7.8232 8.1840 8.1881 16.9257 16.9269 17.6532 17.6557 18.4173 18.4192 19.1227 19.1247 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.3984-0.4988 ( 1402 PWs) bands (ev): -15.3021 -15.3020 -13.4198 -13.4196 -11.5148 -11.5142 -10.9675 -10.9670 -3.9621 -3.9618 -1.5693 -1.5685 -0.5914 -0.5889 0.2204 0.2239 2.9983 3.0043 3.5960 3.6007 4.5492 4.5520 4.9904 4.9927 6.0904 6.0963 7.0522 7.0635 7.9060 7.9172 8.1565 8.1620 16.7809 16.7814 18.1010 18.1036 18.5601 18.5633 19.2674 19.2728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.3984-0.3453 ( 1395 PWs) bands (ev): -15.6048 -15.6046 -13.0994 -13.0991 -11.4020 -11.4014 -10.7999 -10.7993 -4.3505 -4.3502 -1.5879 -1.5870 -0.8954 -0.8927 0.3374 0.3417 2.8990 2.9042 4.0769 4.0800 4.5894 4.5944 4.8459 4.8495 6.4640 6.4721 6.6677 6.6716 7.7355 7.7478 8.1513 8.1596 16.9112 16.9137 18.3461 18.3524 18.6677 18.6717 18.9826 18.9856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.2720-0.0959 ( 1397 PWs) bands (ev): -16.3599 -16.3598 -11.8809 -11.8804 -11.2297 -11.2294 -10.5333 -10.5329 -5.0784 -5.0777 -2.1564 -2.1554 -1.1848 -1.1828 0.3997 0.4027 2.4668 2.4723 3.7962 3.7992 5.4333 5.4365 5.7122 5.7175 6.1932 6.1982 7.0802 7.0862 7.5618 7.5795 7.7910 7.8101 16.4373 16.4408 18.2279 18.2329 18.4859 18.4899 18.8923 18.8965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.2720 0.0576 ( 1401 PWs) bands (ev): -16.3865 -16.3864 -11.8208 -11.8203 -11.2209 -11.2207 -10.5331 -10.5328 -5.1126 -5.1119 -2.2091 -2.2081 -1.1537 -1.1517 0.3988 0.4015 2.4485 2.4541 3.7570 3.7599 5.3918 5.3951 5.7936 5.7989 6.2456 6.2512 7.0643 7.0684 7.6210 7.6413 7.7534 7.7745 16.3742 16.3776 18.2731 18.2768 18.4554 18.4607 18.8564 18.8606 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.2720 0.2110 ( 1400 PWs) bands (ev): -16.2027 -16.2026 -12.1810 -12.1805 -11.2982 -11.2977 -10.5568 -10.5563 -4.8828 -4.8822 -1.8745 -1.8734 -1.3410 -1.3391 0.4136 0.4176 2.5428 2.5478 4.0223 4.0256 5.3920 5.3982 5.6149 5.6203 5.8204 5.8254 7.1985 7.2121 7.3484 7.3542 7.9019 7.9140 16.6987 16.7032 18.1427 18.1500 18.5990 18.6037 18.9833 18.9856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.2720 0.3645 ( 1399 PWs) bands (ev): -15.8298 -15.8296 -12.7144 -12.7140 -11.4591 -11.4586 -10.7027 -10.7021 -4.4550 -4.4546 -1.7833 -1.7821 -1.1566 -1.1545 0.4546 0.4589 2.5819 2.5874 4.4346 4.4373 4.7837 4.7866 5.2043 5.2076 6.2126 6.2219 6.7502 6.7576 7.6254 7.6341 8.0442 8.0513 16.8244 16.8277 18.3688 18.3754 18.7973 18.8005 18.8427 18.8487 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.2720 0.5180 ( 1403 PWs) bands (ev): -15.3177 -15.3175 -13.2786 -13.2783 -11.5936 -11.5931 -10.9850 -10.9845 -3.9257 -3.9252 -2.1308 -2.1296 -0.5343 -0.5317 0.4442 0.4464 2.5638 2.5718 3.7730 3.7801 4.9421 4.9453 5.1968 5.2007 6.4066 6.4130 6.8277 6.8348 7.8715 7.8799 8.1342 8.1391 16.8769 16.8776 18.2401 18.2462 18.6722 18.6775 19.1522 19.1584 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.2720-0.8633 ( 1402 PWs) bands (ev): -14.7647 -14.7645 -13.8144 -13.8141 -11.6046 -11.6042 -11.2953 -11.2950 -3.4262 -3.4256 -2.4646 -2.4637 -0.0977 -0.0945 0.3179 0.3198 2.6012 2.6081 3.3666 3.3734 4.7231 4.7253 5.1956 5.2002 6.8381 6.8444 7.2737 7.2796 7.8619 7.8620 8.1343 8.1378 17.1876 17.1887 17.8598 17.8634 18.5415 18.5439 19.0196 19.0225 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.2720-0.7098 ( 1410 PWs) bands (ev): -14.6508 -14.6506 -13.9236 -13.9234 -11.5877 -11.5874 -11.3534 -11.3531 -3.3405 -3.3401 -2.5262 -2.5256 -0.0277 -0.0251 0.2723 0.2745 2.6279 2.6338 3.3146 3.3195 4.6828 4.6855 5.1787 5.1832 6.9850 6.9912 7.2799 7.2854 7.8657 7.8685 8.1116 8.1145 17.2986 17.3000 17.7538 17.7566 18.5073 18.5089 18.9608 18.9628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.2720-0.5563 ( 1402 PWs) bands (ev): -15.1774 -15.1771 -13.4178 -13.4175 -11.6101 -11.6097 -11.0664 -11.0660 -3.7904 -3.7898 -2.2193 -2.2181 -0.4013 -0.3984 0.4247 0.4262 2.5625 2.5708 3.6314 3.6392 4.9083 4.9109 5.2160 5.2201 6.4579 6.4644 6.9670 6.9744 7.8895 7.8965 8.1458 8.1499 16.9273 16.9276 18.1507 18.1561 18.6536 18.6582 19.1634 19.1690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.2720-0.4029 ( 1397 PWs) bands (ev): -15.7122 -15.7120 -12.8554 -12.8550 -11.4999 -11.4994 -10.7629 -10.7623 -4.3284 -4.3280 -1.8649 -1.8637 -0.9986 -0.9965 0.4607 0.4647 2.5778 2.5839 4.3416 4.3448 4.7660 4.7682 5.1869 5.1904 6.3386 6.3486 6.6374 6.6445 7.7045 7.7136 8.0738 8.0803 16.8239 16.8265 18.3966 18.4036 18.7470 18.7511 18.9288 18.9351 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.2720-0.2494 ( 1400 PWs) bands (ev): -16.1258 -16.1256 -12.3061 -12.3057 -11.3341 -11.3336 -10.5789 -10.5783 -4.7907 -4.7902 -1.7665 -1.7654 -1.3891 -1.3871 0.4229 0.4272 2.5632 2.5681 4.1285 4.1319 5.3023 5.3088 5.4752 5.4773 5.8538 5.8608 7.1317 7.1434 7.3801 7.3861 7.9388 7.9492 16.7645 16.7692 18.1710 18.1785 18.6395 18.6446 18.9736 18.9750 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.1455 0.1535 ( 1387 PWs) bands (ev): -16.5522 -16.5521 -11.5854 -11.5850 -11.1696 -11.1693 -10.3769 -10.3764 -5.3274 -5.3269 -1.7902 -1.7891 -1.5836 -1.5823 0.2538 0.2572 2.5950 2.5991 3.4774 3.4798 5.3149 5.3192 5.7102 5.7131 6.4130 6.4152 7.0930 7.0970 7.6119 7.6344 7.9001 7.9238 16.1182 16.1210 18.2101 18.2149 18.5344 18.5375 18.8720 18.8728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.1455 0.3069 ( 1394 PWs) bands (ev): -16.2159 -16.2158 -12.1166 -12.1161 -11.3334 -11.3329 -10.5446 -10.5440 -4.8951 -4.8946 -2.0275 -2.0263 -1.2959 -1.2941 0.4709 0.4748 2.4373 2.4427 4.0691 4.0719 5.4619 5.4672 5.7646 5.7707 5.8419 5.8422 7.1431 7.1531 7.3300 7.3378 7.8482 7.8584 16.6350 16.6392 18.2030 18.2094 18.6616 18.6664 18.9598 18.9631 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.1455 0.4604 ( 1410 PWs) bands (ev): -15.6870 -15.6867 -12.7803 -12.7799 -11.4951 -11.4947 -10.8526 -10.8522 -4.3374 -4.3366 -2.4785 -2.4772 -0.6779 -0.6750 0.6437 0.6457 2.2584 2.2663 4.3987 4.4064 4.8632 4.8657 5.6848 5.6894 6.3950 6.4031 6.7287 6.7351 7.7273 7.7336 7.9074 7.9115 16.9610 16.9638 18.2989 18.3062 18.7780 18.7823 18.9791 18.9891 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.1250 0.1455 0.6139 ( 1405 PWs) bands (ev): -15.0143 -15.0140 -13.5054 -13.5050 -11.5572 -11.5568 -11.1997 -11.1994 -3.7744 -3.7734 -2.8871 -2.8858 -0.1246 -0.1205 0.6208 0.6218 2.3472 2.3570 3.5798 3.5917 4.9888 4.9946 5.4873 5.4929 6.8807 6.8891 7.1056 7.1101 7.9229 7.9266 8.0385 8.0419 17.3004 17.3012 18.1506 18.1571 18.6312 18.6359 18.9525 18.9592 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.0381 0.1918 ( 1404 PWs) bands (ev): -16.3467 -16.3466 -11.9819 -11.9814 -11.1603 -11.1599 -10.6143 -10.6139 -4.9638 -4.9632 -1.6831 -1.6822 -1.3246 -1.3222 0.1492 0.1529 2.7703 2.7740 3.6948 3.6980 5.1750 5.1793 5.5918 5.5950 5.9580 5.9622 7.0293 7.0397 7.6859 7.7054 7.9785 8.0015 16.6185 16.6225 17.9961 18.0031 18.2677 18.2711 19.0203 19.0235 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.0381 0.3453 ( 1403 PWs) bands (ev): -15.9817 -15.9816 -12.5376 -12.5372 -11.2944 -11.2940 -10.7041 -10.7037 -4.6903 -4.6897 -1.9616 -1.9605 -0.9909 -0.9886 0.4097 0.4132 2.6707 2.6763 4.0580 4.0617 4.9425 4.9471 5.4408 5.4454 6.0051 6.0127 7.2173 7.2325 7.4677 7.4729 7.9763 7.9879 16.9793 16.9844 18.0636 18.0713 18.5139 18.5172 18.9488 18.9523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.0381 0.4988 ( 1401 PWs) bands (ev): -15.4614 -15.4612 -13.1122 -13.1119 -11.4588 -11.4585 -10.9455 -10.9452 -4.2837 -4.2830 -2.3273 -2.3261 -0.5742 -0.5713 0.5292 0.5306 2.5809 2.5889 3.7234 3.7284 5.0553 5.0589 5.4882 5.4934 6.6174 6.6233 6.8874 6.8930 7.7492 7.7603 8.0081 8.0146 17.1643 17.1668 18.1615 18.1674 18.6141 18.6192 18.8539 18.8601 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.0381 0.6522 ( 1401 PWs) bands (ev): -14.8847 -14.8845 -13.6589 -13.6586 -11.5626 -11.5624 -11.2008 -11.2006 -3.8649 -3.8643 -2.6258 -2.6249 -0.2705 -0.2675 0.3321 0.3339 2.6337 2.6411 3.4973 3.5044 4.9742 4.9769 5.5733 5.5776 6.9302 6.9363 7.2717 7.2801 7.8972 7.9000 7.9962 8.0040 17.4592 17.4596 18.0523 18.0573 18.2826 18.2873 18.7447 18.7463 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.0381 0.8057 ( 1407 PWs) bands (ev): -14.6682 -14.6680 -13.8617 -13.8615 -11.5805 -11.5804 -11.2692 -11.2690 -3.7406 -3.7403 -2.7103 -2.7099 -0.1471 -0.1449 0.1797 0.1821 2.6931 2.6996 3.4758 3.4818 4.8794 4.8815 5.5714 5.5761 7.1651 7.1702 7.3315 7.3366 7.8363 7.8410 8.0411 8.0450 17.6308 17.6319 18.0015 18.0067 18.1023 18.1070 18.6527 18.6537 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.0381-0.5755 ( 1400 PWs) bands (ev): -15.1695 -15.1693 -13.3931 -13.3928 -11.5219 -11.5216 -11.0840 -11.0838 -4.0620 -4.0613 -2.4902 -2.4891 -0.4108 -0.4076 0.4697 0.4707 2.5855 2.5936 3.5599 3.5667 5.0834 5.0870 5.5395 5.5438 6.7465 6.7534 7.0543 7.0650 7.8842 7.8954 7.9798 7.9858 17.2906 17.2918 18.1251 18.1304 18.4614 18.4660 18.8423 18.8458 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.0381-0.4220 ( 1397 PWs) bands (ev): -15.7367 -15.7365 -12.8260 -12.8256 -11.3795 -11.3791 -10.8115 -10.8111 -4.4993 -4.4986 -2.1479 -2.1467 -0.7716 -0.7690 0.5024 0.5050 2.6122 2.6192 3.9713 3.9734 4.8986 4.9012 5.4652 5.4702 6.3179 6.3269 7.0226 7.0314 7.5912 7.6006 8.0015 8.0097 17.0725 17.0764 18.1356 18.1424 18.6571 18.6612 18.8485 18.8548 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.0381-0.2686 ( 1399 PWs) bands (ev): -16.1873 -16.1871 -12.2526 -12.2521 -11.2163 -11.2158 -10.6376 -10.6371 -4.8467 -4.8461 -1.7876 -1.7867 -1.1986 -1.1963 0.2814 0.2853 2.7331 2.7375 3.8932 3.8972 5.2071 5.2132 5.4545 5.4610 5.8106 5.8147 7.1674 7.1804 7.5682 7.5808 7.9575 7.9757 16.8320 16.8370 17.9979 18.0057 18.3690 18.3723 19.0234 19.0263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.0381-0.1151 ( 1402 PWs) bands (ev): -16.4554 -16.4553 -11.7467 -11.7462 -11.1411 -11.1408 -10.6218 -10.6214 -5.0407 -5.0402 -1.7161 -1.7152 -1.2960 -1.2942 0.0394 0.0425 2.7783 2.7817 3.5434 3.5459 5.0299 5.0337 5.7479 5.7514 6.1850 6.1885 6.9703 6.9779 7.7143 7.7289 8.0337 8.0505 16.4048 16.4076 18.0506 18.0566 18.2017 18.2055 18.9414 18.9446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.0381 0.0384 ( 1401 PWs) bands (ev): -16.5105 -16.5104 -11.5909 -11.5904 -11.1556 -11.1554 -10.6355 -10.6351 -5.0785 -5.0780 -1.7725 -1.7715 -1.2352 -1.2340 -0.0247 -0.0223 2.7751 2.7784 3.4619 3.4643 4.9402 4.9431 5.9113 5.9143 6.2000 6.2041 7.0262 7.0298 7.7057 7.7112 8.0675 8.0749 16.2734 16.2757 18.1086 18.1128 18.1640 18.1689 18.8625 18.8651 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.0883 0.2878 ( 1403 PWs) bands (ev): -16.0851 -16.0850 -12.3326 -12.3321 -11.2761 -11.2759 -10.8196 -10.8193 -4.5941 -4.5935 -1.8292 -1.8282 -0.9179 -0.9161 0.1592 0.1618 2.9234 2.9276 3.7588 3.7620 4.9253 4.9268 5.2004 5.2050 6.1556 6.1578 7.1180 7.1277 7.7141 7.7239 8.0195 8.0329 17.0150 17.0196 17.8331 17.8388 17.9966 18.0000 18.9470 18.9503 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.0883 0.4412 ( 1400 PWs) bands (ev): -15.6153 -15.6152 -12.9091 -12.9087 -11.4401 -11.4398 -10.9088 -10.9085 -4.3863 -4.3856 -2.2564 -2.2553 -0.6830 -0.6806 0.4745 0.4757 2.8529 2.8603 3.4489 3.4518 5.1332 5.1383 5.3827 5.3891 6.5147 6.5204 7.3186 7.3296 7.6439 7.6507 7.9151 7.9255 17.2030 17.2061 18.0173 18.0218 18.2889 18.2929 18.7451 18.7497 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.0883 0.5947 ( 1400 PWs) bands (ev): -15.0340 -15.0338 -13.4886 -13.4883 -11.5371 -11.5369 -11.1328 -11.1327 -4.0160 -4.0152 -2.6687 -2.6676 -0.5254 -0.5227 0.2672 0.2683 2.9259 2.9338 3.3403 3.3479 5.3804 5.3853 5.7089 5.7118 6.9827 6.9846 7.2183 7.2293 7.7698 7.7782 7.8894 7.8934 17.4606 17.4619 18.0085 18.0110 18.3181 18.3229 18.5077 18.5124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.0883 0.7482 ( 1405 PWs) bands (ev): -14.5334 -14.5332 -13.9657 -13.9655 -11.5371 -11.5370 -11.3035 -11.3034 -3.6811 -3.6807 -2.9725 -2.9720 -0.3500 -0.3477 -0.1361 -0.1339 3.0698 3.0778 3.4539 3.4629 5.3270 5.3315 5.7834 5.7873 7.3190 7.3226 7.3801 7.3856 7.7631 7.7657 7.8273 7.8294 17.8317 17.8322 17.8795 17.8811 18.0262 18.0268 18.3342 18.3347 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.0883 0.9016 ( 1404 PWs) bands (ev): -14.8848 -14.8846 -13.6302 -13.6299 -11.5440 -11.5438 -11.1906 -11.1905 -3.9112 -3.9104 -2.7656 -2.7646 -0.4873 -0.4847 0.1551 0.1565 2.9689 2.9768 3.3740 3.3821 5.3754 5.3802 5.7539 5.7565 7.0766 7.0789 7.2657 7.2776 7.7862 7.7938 7.8710 7.8735 17.5505 17.5515 17.9664 17.9684 18.2689 18.2726 18.4450 18.4484 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.0883-0.4796 ( 1401 PWs) bands (ev): -15.4769 -15.4767 -13.0544 -13.0541 -11.4736 -11.4734 -10.9575 -10.9573 -4.3071 -4.3064 -2.3616 -2.3605 -0.6371 -0.6346 0.4756 0.4763 2.8549 2.8627 3.3688 3.3733 5.2322 5.2379 5.4687 5.4752 6.6314 6.6374 7.2866 7.2967 7.6622 7.6697 7.9135 7.9219 17.2523 17.2549 18.0461 18.0502 18.3327 18.3373 18.6881 18.6933 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.0883-0.3261 ( 1407 PWs) bands (ev): -15.9824 -15.9823 -12.4751 -12.4746 -11.3186 -11.3183 -10.8236 -10.8233 -4.5574 -4.5568 -1.9359 -1.9349 -0.8551 -0.8532 0.2705 0.2729 2.9000 2.9051 3.7324 3.7349 4.9518 4.9528 5.1668 5.1718 6.2260 6.2291 7.1922 7.2024 7.7075 7.7181 7.9777 7.9924 17.0730 17.0776 17.8739 17.8794 18.0668 18.0705 18.9035 18.9070 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.0883-0.1727 ( 1406 PWs) bands (ev): -16.3234 -16.3234 -11.9264 -11.9259 -11.1669 -11.1667 -10.8805 -10.8801 -4.6600 -4.6595 -1.5270 -1.5260 -1.0815 -1.0795 -0.2038 -0.2010 2.9557 2.9578 3.6468 3.6493 4.8059 4.8095 5.6625 5.6660 6.0635 6.0656 6.9413 6.9495 7.6943 7.7017 8.0598 8.0699 16.7560 16.7589 17.8150 17.8195 17.8881 17.8910 19.0218 19.0248 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.0883-0.0192 ( 1411 PWs) bands (ev): -16.4600 -16.4600 -11.5568 -11.5563 -11.1468 -11.1467 -10.9985 -10.9981 -4.6866 -4.6863 -1.3192 -1.3182 -1.1197 -1.1190 -0.5314 -0.5297 2.9281 2.9288 3.5056 3.5069 4.7643 4.7669 5.9812 5.9827 6.1069 6.1089 7.0874 7.0897 7.6384 7.6408 7.9039 7.9074 16.4979 16.4990 17.9014 17.9026 17.9110 17.9137 18.9654 18.9670 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.0883 0.1343 ( 1405 PWs) bands (ev): -16.3777 -16.3777 -11.8048 -11.8043 -11.1436 -11.1433 -10.9185 -10.9182 -4.6714 -4.6710 -1.4421 -1.4410 -1.1163 -1.1141 -0.3154 -0.3127 2.9505 2.9522 3.5957 3.5978 4.7855 4.7891 5.7941 5.7977 6.0833 6.0855 6.9332 6.9403 7.6829 7.6899 8.0295 8.0389 16.6638 16.6660 17.8384 17.8422 17.8845 17.8872 19.0203 19.0230 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.2147 0.3837 ( 1403 PWs) bands (ev): -15.6199 -15.6198 -12.8871 -12.8868 -11.4904 -11.4903 -10.9914 -10.9912 -4.1708 -4.1703 -1.9619 -1.9611 -0.6564 -0.6549 0.2817 0.2826 3.1856 3.1874 3.2333 3.2386 4.7930 4.7946 5.1836 5.1841 6.5599 6.5621 7.1779 7.1788 7.7841 7.7902 8.0698 8.0723 17.2310 17.2325 17.8282 17.8292 17.9371 17.9401 18.7795 18.7815 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.2147 0.5371 ( 1403 PWs) bands (ev): -15.1048 -15.1046 -13.4141 -13.4137 -11.5786 -11.5784 -11.1024 -11.1022 -4.0141 -4.0136 -2.4453 -2.4445 -0.5674 -0.5651 0.1995 0.2004 2.9828 2.9888 3.3175 3.3267 5.1542 5.1590 5.6333 5.6357 6.9529 6.9559 7.3218 7.3235 7.8323 7.8336 7.8473 7.8534 17.4144 17.4150 18.0293 18.0295 18.1508 18.1520 18.4885 18.4901 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.2147 0.6906 ( 1398 PWs) bands (ev): -14.5308 -14.5306 -13.9603 -13.9601 -11.5207 -11.5206 -11.3251 -11.3249 -3.5983 -3.5976 -3.0156 -3.0148 -0.4827 -0.4805 -0.2259 -0.2240 3.2449 3.2543 3.4027 3.4122 5.5049 5.5096 5.7891 5.7923 7.3417 7.3429 7.4052 7.4159 7.6904 7.6964 7.7535 7.7559 17.7518 17.7521 17.9727 17.9741 18.0365 18.0366 18.1973 18.1978 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.2147-0.2302 ( 1410 PWs) bands (ev): -16.0056 -16.0056 -12.4013 -12.4010 -11.3307 -11.3305 -11.0381 -11.0378 -4.1606 -4.1602 -1.5427 -1.5419 -0.7838 -0.7835 -0.1739 -0.1723 3.1596 3.1606 3.7058 3.7085 4.6347 4.6377 5.1866 5.1894 6.2394 6.2397 6.9282 6.9289 7.6739 7.6781 8.0935 8.0954 17.2309 17.2348 17.5610 17.5622 17.5999 17.6058 18.9750 18.9768 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.2147-0.0767 ( 1415 PWs) bands (ev): -16.2110 -16.2110 -12.0513 -12.0511 -11.2086 -11.2085 -11.1631 -11.1630 -4.1333 -4.1331 -1.1637 -1.1629 -0.8487 -0.8486 -0.6983 -0.6970 2.9962 2.9966 3.7764 3.7777 4.7704 4.7728 5.8453 5.8469 6.0177 6.0186 6.8326 6.8329 7.6048 7.6063 7.7289 7.7301 17.0697 17.0707 17.5772 17.5781 17.5798 17.5817 18.9608 18.9617 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.3412 0.4796 ( 1404 PWs) bands (ev): -15.1267 -15.1265 -13.4598 -13.4596 -11.5553 -11.5552 -11.1162 -11.1160 -3.9609 -3.9605 -2.1020 -2.1013 -0.4004 -0.3983 0.1838 0.1852 2.7295 2.7340 3.5814 3.5893 4.6875 4.6926 5.4083 5.4103 6.6958 6.7029 7.2834 7.2925 7.8606 7.8687 8.0576 8.0682 17.3160 17.3169 17.9544 17.9580 18.1571 18.1599 18.7546 18.7567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.3412 0.6331 ( 1399 PWs) bands (ev): -14.7996 -14.7994 -13.7217 -13.7214 -11.5587 -11.5586 -11.2093 -11.2092 -3.8718 -3.8712 -2.7122 -2.7113 -0.4261 -0.4235 0.0646 0.0664 2.9278 2.9351 3.4552 3.4639 5.2263 5.2313 5.7591 5.7622 7.0978 7.1027 7.3015 7.3127 7.8212 7.8273 7.8788 7.8860 17.6471 17.6482 17.8665 17.8688 18.2392 18.2404 18.4584 18.4593 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.3412 0.7865 ( 1403 PWs) bands (ev): -14.6791 -14.6789 -13.8140 -13.8136 -11.5183 -11.5181 -11.2877 -11.2875 -3.7097 -3.7088 -3.0439 -3.0428 -0.4656 -0.4633 0.0178 0.0193 3.1565 3.1668 3.3121 3.3205 5.5744 5.5786 5.7085 5.7115 7.2569 7.2577 7.3590 7.3703 7.7293 7.7351 7.8188 7.8226 17.6145 17.6146 18.0848 18.0885 18.1396 18.1452 18.2521 18.2553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.3412 0.9400 ( 1402 PWs) bands (ev): -14.8700 -14.8698 -13.6672 -13.6670 -11.5682 -11.5680 -11.1779 -11.1778 -3.9198 -3.9192 -2.5583 -2.5575 -0.4095 -0.4068 0.0952 0.0971 2.8474 2.8541 3.4945 3.5033 5.0886 5.0939 5.7057 5.7087 7.0175 7.0237 7.2846 7.2952 7.8461 7.8536 7.9165 7.9271 17.5921 17.5927 17.8704 17.8726 18.2637 18.2640 18.5243 18.5249 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.3412 1.0935 ( 1400 PWs) bands (ev): -15.2184 -15.2183 -13.3806 -13.3804 -11.5379 -11.5377 -11.1099 -11.1097 -3.9416 -3.9412 -1.9650 -1.9644 -0.4156 -0.4138 0.1850 0.1861 2.7647 2.7682 3.5994 3.6065 4.5746 4.5792 5.2979 5.2996 6.5728 6.5797 7.2769 7.2856 7.8530 7.8606 8.0988 8.1084 17.2340 17.2350 17.8933 17.8971 18.1331 18.1362 18.8344 18.8366 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.3412-0.2878 ( 1408 PWs) bands (ev): -15.5600 -15.5600 -13.0490 -13.0488 -11.4325 -11.4322 -11.1424 -11.1421 -3.7772 -3.7766 -1.5384 -1.5379 -0.5242 -0.5238 -0.0563 -0.0558 3.2992 3.3019 3.5451 3.5477 4.3792 4.3813 5.0280 5.0309 6.0850 6.0900 7.1380 7.1462 7.7866 7.7911 8.1427 8.1479 17.0419 17.0434 17.4542 17.4568 18.0379 18.0392 19.0803 19.0825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.3412-0.1343 ( 1416 PWs) bands (ev): -15.7916 -15.7915 -12.7789 -12.7787 -11.3312 -11.3308 -11.2083 -11.2079 -3.6289 -3.6283 -1.3569 -1.3563 -0.5760 -0.5754 -0.3824 -0.3819 3.2253 3.2273 3.9070 3.9106 4.5933 4.5949 5.3139 5.3165 5.7422 5.7448 6.8284 6.8351 7.7084 7.7108 7.9264 7.9275 17.0767 17.0777 17.2517 17.2538 17.8033 17.8044 19.0097 19.0112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.3412 0.0192 ( 1416 PWs) bands (ev): -15.8588 -15.8587 -12.6913 -12.6912 -11.2866 -11.2865 -11.2445 -11.2444 -3.5878 -3.5875 -1.3498 -1.3497 -0.5569 -0.5564 -0.4799 -0.4795 3.1226 3.1238 3.9648 3.9669 4.7873 4.7900 5.4672 5.4702 5.8743 5.8754 6.5500 6.5519 7.6781 7.6805 7.7808 7.7817 17.1778 17.1791 17.2075 17.2090 17.6987 17.6996 18.8437 18.8446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.3412 0.1727 ( 1413 PWs) bands (ev): -15.7477 -15.7477 -12.8337 -12.8334 -11.3529 -11.3525 -11.1924 -11.1921 -3.6568 -3.6561 -1.3771 -1.3765 -0.5748 -0.5742 -0.3183 -0.3179 3.2844 3.2865 3.8356 3.8392 4.5059 4.5075 5.1950 5.1983 5.7989 5.8021 6.9216 6.9291 7.7256 7.7280 7.9962 7.9981 17.0503 17.0515 17.2757 17.2779 17.8612 17.8622 19.0686 19.0704 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500-0.3412 0.3261 ( 1406 PWs) bands (ev): -15.4818 -15.4817 -13.1310 -13.1307 -11.4614 -11.4612 -11.1280 -11.1278 -3.8240 -3.8235 -1.6248 -1.6243 -0.4958 -0.4952 0.0326 0.0330 3.1337 3.1353 3.5753 3.5782 4.3846 4.3871 5.0538 5.0562 6.2010 6.2066 7.1897 7.1979 7.8069 7.8122 8.1563 8.1626 17.0675 17.0690 17.5535 17.5563 18.0817 18.0833 19.0365 19.0387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.5439-0.1918 ( 1400 PWs) bands (ev): -15.1695 -15.1693 -13.3931 -13.3928 -11.5219 -11.5216 -11.0840 -11.0838 -4.0620 -4.0613 -2.4902 -2.4891 -0.4108 -0.4076 0.4697 0.4707 2.5855 2.5936 3.5599 3.5667 5.0834 5.0870 5.5395 5.5437 6.7465 6.7534 7.0543 7.0650 7.8842 7.8954 7.9798 7.9858 17.2906 17.2918 18.1251 18.1304 18.4614 18.4660 18.8423 18.8458 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.5439-0.0384 ( 1398 PWs) bands (ev): -15.1975 -15.1972 -13.2840 -13.2836 -11.4981 -11.4979 -11.1104 -11.1102 -4.1025 -4.1015 -2.9462 -2.9451 -0.4662 -0.4632 0.6046 0.6050 2.5695 2.5787 3.5280 3.5358 5.4410 5.4430 5.7804 5.7838 6.9695 6.9723 7.1600 7.1700 7.7515 7.7568 7.8337 7.8393 17.3159 17.3176 18.1806 18.1851 18.4549 18.4633 18.5888 18.5963 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.5439 0.1151 ( 1400 PWs) bands (ev): -15.1861 -15.1859 -13.3257 -13.3253 -11.5082 -11.5079 -11.0979 -11.0977 -4.1002 -4.0993 -2.7747 -2.7736 -0.4446 -0.4415 0.5583 0.5590 2.5697 2.5784 3.5383 3.5458 5.2982 5.3015 5.7192 5.7235 6.8723 6.8766 7.1073 7.1169 7.8039 7.8134 7.9044 7.9087 17.3406 17.3424 18.1354 18.1401 18.4367 18.4434 18.7176 18.7237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.5439 0.2686 ( 1401 PWs) bands (ev): -15.1586 -15.1584 -13.4608 -13.4605 -11.5357 -11.5353 -11.0774 -11.0771 -3.9691 -3.9686 -2.1580 -2.1569 -0.3852 -0.3822 0.3502 0.3518 2.6445 2.6514 3.5858 3.5915 4.8392 4.8421 5.3033 5.3061 6.5421 6.5498 7.0928 7.1038 7.9263 7.9343 8.0608 8.0653 17.1214 17.1219 18.1603 18.1669 18.4170 18.4229 18.9988 19.0016 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.5439 0.4220 ( 1404 PWs) bands (ev): -15.1943 -15.1942 -13.5079 -13.5078 -11.5590 -11.5585 -11.0938 -11.0933 -3.6624 -3.6619 -1.5594 -1.5587 -0.4483 -0.4464 0.1004 0.1035 2.9823 2.9848 3.5932 3.5958 4.3561 4.3595 5.0941 5.0959 5.9853 5.9918 7.2613 7.2724 7.8194 7.8242 8.1975 8.2009 16.7338 16.7345 17.7322 17.7344 18.5291 18.5311 19.3110 19.3152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.5439-0.9592 ( 1410 PWs) bands (ev): -15.2942 -15.2942 -13.4312 -13.4311 -11.5353 -11.5348 -11.1662 -11.1658 -3.3344 -3.3336 -1.3897 -1.3886 -0.4847 -0.4825 -0.0844 -0.0812 3.2655 3.2685 3.9281 3.9322 3.9653 3.9666 5.3175 5.3233 5.5244 5.5275 7.1906 7.1999 7.6741 7.6789 8.1705 8.1735 16.6056 16.6062 17.2712 17.2729 18.4601 18.4618 19.2986 19.2998 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.5439-0.8057 ( 1409 PWs) bands (ev): -15.3623 -15.3623 -13.3618 -13.3617 -11.4242 -11.4239 -11.3018 -11.3016 -3.1261 -3.1254 -1.5794 -1.5789 -0.3492 -0.3480 -0.1699 -0.1688 3.3770 3.3797 3.6421 3.6441 4.5309 4.5328 4.9926 4.9949 6.0085 6.0121 6.6686 6.6716 7.7947 7.7987 8.0066 8.0081 16.7939 16.7952 16.9645 16.9658 18.3072 18.3088 18.9835 18.9843 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.5439-0.6522 ( 1408 PWs) bands (ev): -15.3378 -15.3378 -13.3874 -13.3872 -11.4874 -11.4870 -11.2305 -11.2301 -3.2046 -3.2037 -1.4899 -1.4891 -0.4087 -0.4073 -0.1410 -0.1386 3.3124 3.3149 3.7805 3.7837 4.2763 4.2786 5.1523 5.1563 5.7394 5.7434 6.9435 6.9491 7.7224 7.7254 8.0922 8.0950 16.6714 16.6723 17.1083 17.1100 18.3710 18.3728 19.1192 19.1202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.5439-0.4988 ( 1410 PWs) bands (ev): -15.2417 -15.2416 -13.4781 -13.4780 -11.5577 -11.5572 -11.1208 -11.1204 -3.4921 -3.4913 -1.3957 -1.3947 -0.5028 -0.5005 -0.0023 0.0010 3.1849 3.1872 3.6647 3.6698 4.1464 4.1500 5.1991 5.2024 5.6979 5.7033 7.2931 7.3049 7.7146 7.7207 8.2089 8.2120 16.6255 16.6261 17.4776 17.4793 18.5245 18.5261 19.3748 19.3781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.5439-0.3453 ( 1409 PWs) bands (ev): -15.1649 -15.1648 -13.5035 -13.5034 -11.5490 -11.5485 -11.0805 -11.0801 -3.8288 -3.8284 -1.8320 -1.8311 -0.3945 -0.3922 0.2205 0.2229 2.7751 2.7803 3.5974 3.6014 4.5902 4.5930 5.1290 5.1297 6.2771 6.2843 7.1792 7.1900 7.9008 7.9058 8.1422 8.1458 16.9122 16.9128 17.9993 18.0030 18.4675 18.4709 19.1702 19.1739 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.4175-0.0959 ( 1402 PWs) bands (ev): -15.6770 -15.6768 -12.7558 -12.7554 -11.4300 -11.4297 -10.9040 -10.9038 -4.4428 -4.4418 -2.7555 -2.7543 -0.5853 -0.5818 0.7772 0.7785 2.1799 2.1884 4.1729 4.1781 5.0775 5.0785 5.9049 5.9074 6.5721 6.5757 6.9690 6.9775 7.6223 7.6293 7.7800 7.7848 17.0379 17.0412 18.2438 18.2490 18.7230 18.7314 18.8791 18.8903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.4175 0.0576 ( 1401 PWs) bands (ev): -15.6963 -15.6961 -12.7177 -12.7172 -11.4174 -11.4171 -10.9058 -10.9056 -4.4762 -4.4751 -2.8240 -2.8229 -0.5802 -0.5766 0.8172 0.8185 2.1406 2.1491 4.1770 4.1819 5.1151 5.1160 5.9402 5.9417 6.6436 6.6454 7.0152 7.0252 7.5890 7.5948 7.7199 7.7251 17.0154 17.0187 18.2528 18.2574 18.7354 18.7450 18.8446 18.8560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.4175 0.2110 ( 1405 PWs) bands (ev): -15.5660 -15.5658 -12.9584 -12.9580 -11.5021 -11.5016 -10.8995 -10.8991 -4.2510 -4.2503 -2.3820 -2.3808 -0.6250 -0.6220 0.5905 0.5924 2.3832 2.3912 4.1039 4.1105 4.9386 4.9411 5.5373 5.5417 6.4990 6.5061 6.7346 6.7391 7.7580 7.7667 7.9936 7.9988 17.0104 17.0127 18.2740 18.2812 18.7155 18.7209 18.9858 18.9940 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.4175 0.3645 ( 1397 PWs) bands (ev): -15.3236 -15.3234 -13.3276 -13.3272 -11.6346 -11.6340 -10.9294 -10.9289 -3.8433 -3.8430 -1.6883 -1.6872 -0.7578 -0.7559 0.3424 0.3463 2.7755 2.7821 3.6945 3.6989 4.8190 4.8225 5.0636 5.0662 6.1514 6.1559 6.8239 6.8307 7.8565 7.8651 8.2212 8.2264 16.6391 16.6397 18.1620 18.1648 18.7848 18.7881 19.2658 19.2719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.4175 0.5180 ( 1405 PWs) bands (ev): -15.0507 -15.0505 -13.6669 -13.6667 -11.6990 -11.6985 -11.0565 -11.0560 -3.3692 -3.3685 -1.4067 -1.4059 -0.6642 -0.6622 0.1733 0.1777 3.0447 3.0462 3.3696 3.3720 4.4247 4.4265 5.3535 5.3556 5.7135 5.7181 7.1670 7.1749 7.6882 7.6956 8.3197 8.3243 16.4005 16.4008 17.6502 17.6515 18.9073 18.9079 19.5234 19.5310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.4175-0.8633 ( 1407 PWs) bands (ev): -14.8568 -14.8567 -13.8773 -13.8772 -11.6050 -11.6046 -11.2881 -11.2878 -2.9002 -2.8994 -1.7826 -1.7819 -0.2723 -0.2711 0.0342 0.0371 3.0003 3.0030 3.4801 3.4854 4.3892 4.3919 4.9840 4.9867 6.2204 6.2254 7.0741 7.0787 7.7083 7.7112 8.1880 8.1920 16.5762 16.5772 17.1743 17.1759 18.7671 18.7689 19.2347 19.2368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.4175-0.7098 ( 1413 PWs) bands (ev): -14.8326 -14.8325 -13.9023 -13.9023 -11.5587 -11.5583 -11.3515 -11.3512 -2.8103 -2.8096 -1.8710 -1.8703 -0.2144 -0.2131 0.0072 0.0096 3.0331 3.0358 3.4488 3.4534 4.4273 4.4295 4.9120 4.9138 6.3785 6.3835 6.9338 6.9379 7.7997 7.8035 8.1206 8.1240 16.6749 16.6760 17.0554 17.0569 18.7341 18.7357 19.1635 19.1650 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.4175-0.5563 ( 1405 PWs) bands (ev): -14.9905 -14.9903 -13.7343 -13.7342 -11.6917 -11.6912 -11.1066 -11.1061 -3.2478 -3.2470 -1.4779 -1.4773 -0.5549 -0.5533 0.1362 0.1404 3.0105 3.0111 3.4218 3.4255 4.3773 4.3801 5.2876 5.2897 5.7843 5.7888 7.2378 7.2463 7.6195 7.6267 8.3108 8.3154 16.4044 16.4049 17.5277 17.5291 18.8895 18.8903 19.5053 19.5091 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.4175-0.4029 ( 1398 PWs) bands (ev): -15.2542 -15.2540 -13.4200 -13.4197 -11.6619 -11.6614 -10.9503 -10.9497 -3.7277 -3.7274 -1.5342 -1.5333 -0.7900 -0.7881 0.2946 0.2989 2.8816 2.8877 3.5587 3.5622 4.6926 4.6953 5.1418 5.1445 6.0099 6.0141 6.9058 6.9128 7.8422 7.8503 8.2619 8.2669 16.5481 16.5484 18.0388 18.0405 18.8404 18.8428 19.3514 19.3580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.4175-0.2494 ( 1402 PWs) bands (ev): -15.5135 -15.5132 -13.0458 -13.0454 -11.5346 -11.5341 -10.9010 -10.9005 -4.1613 -4.1607 -2.2171 -2.2159 -0.6496 -0.6470 0.5218 0.5242 2.4716 2.4794 4.0395 4.0460 4.9190 4.9219 5.3571 5.3612 6.4872 6.4936 6.6777 6.6816 7.7994 7.8084 8.0588 8.0643 16.9389 16.9407 18.3132 18.3208 18.6903 18.6961 19.0394 19.0466 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.2910 0.1535 ( 1403 PWs) bands (ev): -16.0265 -16.0263 -12.3469 -12.3465 -11.3825 -11.3821 -10.6821 -10.6816 -4.7093 -4.7086 -2.3826 -2.3814 -0.9479 -0.9454 0.6127 0.6156 2.2652 2.2721 4.3276 4.3299 5.2052 5.2114 5.8480 5.8516 6.0632 6.0691 6.9823 6.9911 7.4742 7.4810 7.7955 7.8020 16.7873 16.7913 18.2686 18.2747 18.7476 18.7526 18.9118 18.9200 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.2910 0.3069 ( 1401 PWs) bands (ev): -15.7492 -15.7490 -12.7771 -12.7767 -11.5562 -11.5557 -10.7316 -10.7310 -4.2948 -4.2945 -1.7831 -1.7819 -1.1587 -1.1570 0.4673 0.4717 2.5338 2.5395 4.4796 4.4823 4.8049 4.8074 5.1643 5.1678 6.2789 6.2883 6.5720 6.5796 7.7275 7.7346 8.0538 8.0591 16.7338 16.7363 18.4906 18.4968 18.7721 18.7764 18.8677 18.8741 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.2910 0.4604 ( 1398 PWs) bands (ev): -15.3321 -15.3319 -13.2951 -13.2947 -11.6992 -11.6987 -10.9070 -10.9064 -3.7575 -3.7572 -1.6160 -1.6151 -0.8962 -0.8948 0.3571 0.3615 2.7413 2.7473 3.7191 3.7221 4.8394 4.8425 5.1505 5.1534 6.0914 6.0947 6.7346 6.7377 7.8403 7.8469 8.2574 8.2622 16.5282 16.5287 18.1437 18.1454 18.9590 18.9614 19.2121 19.2178 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.2910 0.6139 ( 1407 PWs) bands (ev): -14.8380 -14.8377 -13.8158 -13.8155 -11.6965 -11.6961 -11.1999 -11.1995 -3.1632 -3.1626 -2.0267 -2.0259 -0.2889 -0.2874 0.2267 0.2289 2.8126 2.8189 3.2619 3.2670 4.7218 4.7263 5.0118 5.0181 6.3709 6.3762 7.1894 7.1930 7.7219 7.7260 8.2638 8.2684 16.6517 16.6527 17.6642 17.6667 18.9679 18.9703 19.2238 19.2299 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.1646 0.0959 ( 1397 PWs) bands (ev): -16.3599 -16.3598 -11.8809 -11.8804 -11.2297 -11.2293 -10.5333 -10.5329 -5.0784 -5.0777 -2.1564 -2.1554 -1.1848 -1.1828 0.3997 0.4027 2.4668 2.4723 3.7962 3.7992 5.4333 5.4365 5.7122 5.7175 6.1932 6.1982 7.0802 7.0862 7.5618 7.5795 7.7910 7.8101 16.4373 16.4408 18.2279 18.2329 18.4859 18.4899 18.8923 18.8965 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.1646 0.2494 ( 1400 PWs) bands (ev): -16.1258 -16.1256 -12.3061 -12.3057 -11.3341 -11.3336 -10.5789 -10.5783 -4.7907 -4.7902 -1.7665 -1.7654 -1.3891 -1.3871 0.4229 0.4272 2.5632 2.5681 4.1285 4.1319 5.3023 5.3088 5.4752 5.4774 5.8538 5.8608 7.1317 7.1434 7.3801 7.3861 7.9388 7.9492 16.7645 16.7692 18.1710 18.1785 18.6395 18.6446 18.9736 18.9750 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.1646 0.4029 ( 1397 PWs) bands (ev): -15.7122 -15.7120 -12.8554 -12.8550 -11.4999 -11.4994 -10.7629 -10.7623 -4.3284 -4.3280 -1.8649 -1.8637 -0.9986 -0.9965 0.4607 0.4647 2.5778 2.5839 4.3416 4.3448 4.7660 4.7682 5.1869 5.1903 6.3386 6.3486 6.6374 6.6445 7.7045 7.7136 8.0738 8.0803 16.8239 16.8265 18.3966 18.4036 18.7470 18.7511 18.9288 18.9351 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.1646 0.5563 ( 1402 PWs) bands (ev): -15.1774 -15.1771 -13.4178 -13.4175 -11.6101 -11.6097 -11.0664 -11.0660 -3.7904 -3.7898 -2.2193 -2.2181 -0.4013 -0.3984 0.4247 0.4262 2.5625 2.5708 3.6314 3.6392 4.9083 4.9109 5.2160 5.2201 6.4579 6.4644 6.9670 6.9744 7.8895 7.8965 8.1458 8.1499 16.9273 16.9276 18.1507 18.1561 18.6536 18.6582 19.1634 19.1690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.1646 0.7098 ( 1410 PWs) bands (ev): -14.6508 -14.6506 -13.9236 -13.9234 -11.5877 -11.5874 -11.3534 -11.3531 -3.3405 -3.3401 -2.5262 -2.5256 -0.0277 -0.0251 0.2723 0.2745 2.6279 2.6338 3.3146 3.3195 4.6828 4.6855 5.1787 5.1832 6.9850 6.9912 7.2799 7.2854 7.8657 7.8685 8.1116 8.1145 17.2986 17.3000 17.7538 17.7566 18.5073 18.5089 18.9608 18.9628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.1646-0.6714 ( 1402 PWs) bands (ev): -14.7647 -14.7645 -13.8144 -13.8141 -11.6046 -11.6042 -11.2953 -11.2950 -3.4262 -3.4256 -2.4646 -2.4637 -0.0977 -0.0945 0.3179 0.3198 2.6012 2.6081 3.3666 3.3734 4.7231 4.7253 5.1956 5.2002 6.8381 6.8444 7.2737 7.2796 7.8619 7.8620 8.1343 8.1378 17.1876 17.1887 17.8598 17.8634 18.5415 18.5439 19.0196 19.0225 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.1646-0.5180 ( 1403 PWs) bands (ev): -15.3177 -15.3175 -13.2786 -13.2783 -11.5936 -11.5931 -10.9850 -10.9846 -3.9257 -3.9252 -2.1308 -2.1296 -0.5343 -0.5317 0.4442 0.4463 2.5638 2.5718 3.7730 3.7801 4.9421 4.9453 5.1968 5.2007 6.4066 6.4130 6.8277 6.8348 7.8715 7.8799 8.1342 8.1391 16.8769 16.8776 18.2401 18.2462 18.6722 18.6775 19.1522 19.1584 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.1646-0.3645 ( 1399 PWs) bands (ev): -15.8298 -15.8296 -12.7144 -12.7140 -11.4591 -11.4586 -10.7027 -10.7021 -4.4550 -4.4546 -1.7833 -1.7821 -1.1566 -1.1545 0.4546 0.4589 2.5819 2.5874 4.4346 4.4373 4.7837 4.7866 5.2043 5.2076 6.2126 6.2219 6.7502 6.7576 7.6254 7.6341 8.0442 8.0513 16.8244 16.8277 18.3688 18.3754 18.7973 18.8005 18.8427 18.8487 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.1646-0.2110 ( 1400 PWs) bands (ev): -16.2027 -16.2026 -12.1810 -12.1805 -11.2982 -11.2977 -10.5568 -10.5563 -4.8828 -4.8822 -1.8745 -1.8734 -1.3410 -1.3391 0.4136 0.4176 2.5428 2.5478 4.0223 4.0256 5.3920 5.3982 5.6149 5.6203 5.8204 5.8254 7.1985 7.2121 7.3484 7.3542 7.9019 7.9140 16.6987 16.7032 18.1427 18.1500 18.5990 18.6037 18.9833 18.9856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.2500 0.1646-0.0576 ( 1401 PWs) bands (ev): -16.3865 -16.3864 -11.8208 -11.8203 -11.2209 -11.2207 -10.5331 -10.5328 -5.1126 -5.1119 -2.2091 -2.2081 -1.1537 -1.1517 0.3988 0.4015 2.4485 2.4541 3.7570 3.7599 5.3918 5.3951 5.7936 5.7989 6.2456 6.2512 7.0643 7.0684 7.6210 7.6413 7.7534 7.7745 16.3742 16.3776 18.2731 18.2768 18.4554 18.4607 18.8564 18.8606 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.0572 0.2878 ( 1398 PWs) bands (ev): -15.8224 -15.8222 -12.8683 -12.8680 -11.2134 -11.2131 -10.7987 -10.7983 -4.5793 -4.5787 -1.6195 -1.6190 -0.8187 -0.8158 0.2083 0.2123 3.0793 3.0834 4.0589 4.0650 4.3886 4.3937 5.0880 5.0892 5.9227 5.9313 7.2506 7.2672 7.5942 7.5998 8.0988 8.1122 17.2023 17.2079 17.9631 17.9705 18.3663 18.3675 19.0563 19.0582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.0572 0.4412 ( 1402 PWs) bands (ev): -15.4990 -15.4989 -13.2494 -13.2492 -11.3184 -11.3180 -10.8814 -10.8811 -4.4087 -4.4084 -1.7436 -1.7427 -0.5368 -0.5343 0.2486 0.2513 3.0698 3.0763 3.6476 3.6521 4.6341 4.6393 4.8997 4.9051 6.5837 6.5928 6.7944 6.7996 7.8042 7.8160 8.1047 8.1136 17.1610 17.1633 18.1788 18.1837 18.6254 18.6280 18.8541 18.8557 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.0572 0.5947 ( 1401 PWs) bands (ev): -15.2122 -15.2120 -13.4373 -13.4371 -11.4813 -11.4811 -11.0507 -11.0505 -4.1042 -4.1038 -1.9916 -1.9907 -0.3831 -0.3805 0.1968 0.1984 2.7929 2.7972 3.5495 3.5567 4.7486 4.7537 5.2851 5.2870 6.5257 6.5346 7.1944 7.2070 7.9367 7.9439 8.0073 8.0204 17.2407 17.2413 18.0537 18.0572 18.3011 18.3034 18.8588 18.8614 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.0572 0.7482 ( 1402 PWs) bands (ev): -15.0900 -15.0899 -13.4620 -13.4617 -11.5945 -11.5944 -11.1463 -11.1461 -3.8846 -3.8842 -2.1606 -2.1601 -0.4237 -0.4221 0.1820 0.1833 2.7171 2.7218 3.5972 3.6055 4.6401 4.6447 5.4549 5.4580 6.8990 6.9034 7.2110 7.2140 7.8487 7.8554 8.0792 8.0825 17.3616 17.3619 17.9413 17.9430 18.0484 18.0499 18.6820 18.6832 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.0572 0.9016 ( 1399 PWs) bands (ev): -15.1634 -15.1633 -13.4528 -13.4526 -11.5210 -11.5208 -11.0872 -11.0870 -4.0274 -4.0270 -2.0509 -2.0501 -0.3872 -0.3848 0.1881 0.1896 2.7521 2.7564 3.5663 3.5739 4.7212 4.7265 5.3582 5.3596 6.5933 6.6014 7.2632 7.2744 7.8913 7.8991 8.0362 8.0487 17.2788 17.2796 17.9964 17.9999 18.2270 18.2297 18.8096 18.8121 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.0572-0.4796 ( 1405 PWs) bands (ev): -15.4177 -15.4176 -13.3169 -13.3167 -11.3565 -11.3561 -10.9211 -10.9208 -4.3408 -4.3404 -1.8016 -1.8006 -0.4743 -0.4718 0.2405 0.2427 3.0087 3.0148 3.5702 3.5755 4.7175 4.7222 4.9646 4.9694 6.6079 6.6157 6.8222 6.8319 7.8632 7.8756 8.0775 8.0857 17.1662 17.1679 18.1814 18.1856 18.5562 18.5576 18.8764 18.8783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.0572-0.3261 ( 1398 PWs) bands (ev): -15.7463 -15.7462 -12.9766 -12.9763 -11.2301 -11.2297 -10.8065 -10.8062 -4.5527 -4.5523 -1.6265 -1.6259 -0.7558 -0.7529 0.2255 0.2294 3.1010 3.1054 4.0597 4.0628 4.3224 4.3248 4.9870 4.9893 6.0817 6.0911 7.1566 7.1701 7.6274 7.6350 8.1162 8.1281 17.1905 17.1952 18.0378 18.0444 18.4666 18.4686 19.0048 19.0063 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.0572-0.1727 ( 1401 PWs) bands (ev): -16.0079 -16.0078 -12.5288 -12.5284 -11.2227 -11.2224 -10.8085 -10.8082 -4.6043 -4.6037 -1.7210 -1.7201 -0.9131 -0.9107 0.1675 0.1709 2.9812 2.9854 3.8468 3.8510 4.7985 4.8016 5.2622 5.2680 5.8448 5.8499 7.2221 7.2361 7.6962 7.7086 8.0216 8.0406 17.1380 17.1443 17.8115 17.8193 18.1100 18.1124 19.0465 19.0498 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.0572-0.0192 ( 1406 PWs) bands (ev): -16.1191 -16.1189 -12.2254 -12.2249 -11.3213 -11.3212 -10.8242 -10.8239 -4.5848 -4.5842 -1.8899 -1.8890 -0.9141 -0.9128 0.1588 0.1609 2.8952 2.8994 3.7226 3.7252 4.9037 4.9053 5.2411 5.2441 6.3565 6.3580 7.0526 7.0552 7.6798 7.6840 8.0437 8.0478 16.9387 16.9426 17.8870 17.8900 17.9239 17.9294 18.8809 18.8839 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.0572 0.1343 ( 1400 PWs) bands (ev): -16.0517 -16.0516 -12.4239 -12.4234 -11.2466 -11.2463 -10.8148 -10.8144 -4.6003 -4.5997 -1.7772 -1.7763 -0.9182 -0.9161 0.1617 0.1647 2.9496 2.9538 3.7960 3.7997 4.8886 4.8907 5.2157 5.2210 5.9980 6.0014 7.1689 7.1810 7.7190 7.7317 8.0120 8.0299 17.0772 17.0826 17.8136 17.8204 18.0476 18.0505 18.9985 19.0019 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.0692 0.3837 ( 1393 PWs) bands (ev): -15.5632 -15.5631 -13.1249 -13.1247 -11.3276 -11.3274 -10.9458 -10.9456 -4.3308 -4.3303 -1.7417 -1.7408 -0.5203 -0.5183 0.1690 0.1706 3.2342 3.2400 3.4399 3.4465 4.5834 4.5879 5.0814 5.0875 6.1320 6.1407 7.2954 7.3100 7.7905 7.7989 8.0619 8.0770 17.2509 17.2531 17.9369 17.9412 18.1960 18.1995 18.9815 18.9846 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.0692 0.5371 ( 1403 PWs) bands (ev): -15.2188 -15.2187 -13.4184 -13.4182 -11.4630 -11.4628 -11.0179 -11.0178 -4.2252 -4.2247 -2.1307 -2.1297 -0.4342 -0.4315 0.1950 0.1961 2.9117 2.9160 3.3850 3.3944 5.0054 5.0115 5.4051 5.4080 6.8006 6.8100 7.0074 7.0194 7.8743 7.8816 7.9861 7.9917 17.4076 17.4080 17.9291 17.9299 18.5113 18.5144 18.6254 18.6288 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.0692 0.6906 ( 1402 PWs) bands (ev): -14.9941 -14.9939 -13.5379 -13.5376 -11.5639 -11.5637 -11.1324 -11.1323 -3.9879 -3.9874 -2.5087 -2.5078 -0.5270 -0.5245 0.1091 0.1105 2.9876 2.9941 3.3654 3.3752 5.2182 5.2239 5.7037 5.7055 6.9854 6.9907 7.2889 7.2991 7.7822 7.7889 7.8904 7.8978 17.5142 17.5150 17.9067 17.9073 18.2823 18.2854 18.4534 18.4568 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.0692-0.2302 ( 1413 PWs) bands (ev): -15.8748 -15.8747 -12.7155 -12.7151 -11.2279 -11.2276 -11.0044 -11.0043 -4.2682 -4.2675 -1.4751 -1.4744 -0.7183 -0.7156 -0.0953 -0.0923 3.2719 3.2747 3.8391 3.8440 4.4079 4.4113 5.2812 5.2870 5.5695 5.5734 7.2306 7.2443 7.7967 7.8070 8.0646 8.0817 17.2684 17.2735 17.6506 17.6563 17.7891 17.7916 19.1847 19.1883 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.0692-0.0767 ( 1415 PWs) bands (ev): -16.0522 -16.0521 -12.3567 -12.3564 -11.2660 -11.2658 -11.0662 -11.0660 -4.1687 -4.1682 -1.4335 -1.4327 -0.8074 -0.8059 -0.2893 -0.2872 3.1425 3.1437 3.7762 3.7793 4.6459 4.6491 5.3107 5.3140 6.0109 6.0130 6.9510 6.9589 7.6921 7.6956 8.0387 8.0442 17.2523 17.2578 17.5004 17.5055 17.5890 17.5922 19.0516 19.0539 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.1957 0.4796 ( 1404 PWs) bands (ev): -15.1267 -15.1265 -13.4598 -13.4596 -11.5553 -11.5552 -11.1162 -11.1160 -3.9609 -3.9605 -2.1020 -2.1013 -0.4004 -0.3983 0.1838 0.1852 2.7295 2.7340 3.5814 3.5893 4.6875 4.6926 5.4083 5.4103 6.6958 6.7029 7.2834 7.2925 7.8606 7.8687 8.0576 8.0682 17.3160 17.3169 17.9544 17.9580 18.1571 18.1599 18.7546 18.7567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.1957 0.6331 ( 1399 PWs) bands (ev): -14.7996 -14.7994 -13.7217 -13.7214 -11.5587 -11.5586 -11.2093 -11.2092 -3.8718 -3.8712 -2.7122 -2.7113 -0.4261 -0.4235 0.0646 0.0664 2.9278 2.9351 3.4552 3.4639 5.2263 5.2313 5.7591 5.7622 7.0978 7.1027 7.3015 7.3127 7.8212 7.8273 7.8788 7.8860 17.6471 17.6482 17.8665 17.8688 18.2392 18.2404 18.4584 18.4593 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.1957 0.7865 ( 1403 PWs) bands (ev): -14.6791 -14.6789 -13.8140 -13.8136 -11.5183 -11.5181 -11.2877 -11.2875 -3.7097 -3.7088 -3.0439 -3.0428 -0.4656 -0.4633 0.0178 0.0193 3.1565 3.1668 3.3121 3.3205 5.5744 5.5786 5.7085 5.7115 7.2569 7.2577 7.3590 7.3703 7.7293 7.7351 7.8188 7.8226 17.6145 17.6146 18.0848 18.0885 18.1397 18.1452 18.2521 18.2553 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.1957 0.9400 ( 1402 PWs) bands (ev): -14.8700 -14.8698 -13.6672 -13.6670 -11.5682 -11.5680 -11.1779 -11.1778 -3.9198 -3.9192 -2.5583 -2.5575 -0.4095 -0.4068 0.0952 0.0971 2.8474 2.8541 3.4945 3.5033 5.0886 5.0939 5.7057 5.7087 7.0175 7.0237 7.2846 7.2952 7.8461 7.8536 7.9165 7.9271 17.5921 17.5927 17.8704 17.8726 18.2637 18.2640 18.5243 18.5249 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.1957 1.0935 ( 1400 PWs) bands (ev): -15.2184 -15.2183 -13.3806 -13.3804 -11.5379 -11.5377 -11.1099 -11.1097 -3.9416 -3.9412 -1.9650 -1.9644 -0.4156 -0.4138 0.1850 0.1861 2.7647 2.7682 3.5994 3.6065 4.5746 4.5792 5.2979 5.2996 6.5728 6.5797 7.2769 7.2856 7.8530 7.8606 8.0988 8.1084 17.2340 17.2350 17.8933 17.8971 18.1331 18.1362 18.8344 18.8366 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.1957-0.2878 ( 1408 PWs) bands (ev): -15.5600 -15.5600 -13.0490 -13.0488 -11.4325 -11.4322 -11.1424 -11.1421 -3.7772 -3.7766 -1.5384 -1.5379 -0.5242 -0.5238 -0.0563 -0.0558 3.2992 3.3019 3.5451 3.5477 4.3792 4.3813 5.0280 5.0309 6.0850 6.0900 7.1380 7.1462 7.7866 7.7911 8.1427 8.1479 17.0419 17.0434 17.4542 17.4568 18.0379 18.0392 19.0803 19.0825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.1957-0.1343 ( 1416 PWs) bands (ev): -15.7916 -15.7915 -12.7789 -12.7787 -11.3312 -11.3308 -11.2083 -11.2079 -3.6289 -3.6283 -1.3569 -1.3563 -0.5760 -0.5754 -0.3824 -0.3819 3.2253 3.2273 3.9070 3.9106 4.5933 4.5949 5.3139 5.3165 5.7422 5.7448 6.8284 6.8351 7.7084 7.7108 7.9264 7.9275 17.0767 17.0777 17.2517 17.2538 17.8033 17.8044 19.0097 19.0112 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.1957 0.0192 ( 1416 PWs) bands (ev): -15.8588 -15.8587 -12.6913 -12.6912 -11.2866 -11.2865 -11.2445 -11.2444 -3.5878 -3.5875 -1.3498 -1.3497 -0.5569 -0.5564 -0.4799 -0.4795 3.1226 3.1238 3.9648 3.9669 4.7873 4.7900 5.4672 5.4702 5.8743 5.8754 6.5500 6.5519 7.6781 7.6805 7.7808 7.7817 17.1778 17.1791 17.2075 17.2090 17.6987 17.6996 18.8437 18.8446 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.1957 0.1727 ( 1413 PWs) bands (ev): -15.7477 -15.7477 -12.8337 -12.8334 -11.3529 -11.3525 -11.1924 -11.1921 -3.6568 -3.6561 -1.3771 -1.3765 -0.5748 -0.5742 -0.3183 -0.3179 3.2844 3.2865 3.8356 3.8392 4.5059 4.5075 5.1950 5.1983 5.7989 5.8021 6.9216 6.9291 7.7256 7.7280 7.9962 7.9981 17.0503 17.0515 17.2757 17.2779 17.8612 17.8622 19.0686 19.0704 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.1957 0.3261 ( 1406 PWs) bands (ev): -15.4818 -15.4817 -13.1310 -13.1307 -11.4614 -11.4612 -11.1280 -11.1278 -3.8240 -3.8235 -1.6248 -1.6243 -0.4958 -0.4952 0.0326 0.0330 3.1337 3.1353 3.5753 3.5782 4.3846 4.3871 5.0538 5.0562 6.2010 6.2066 7.1897 7.1979 7.8069 7.8122 8.1563 8.1626 17.0675 17.0690 17.5535 17.5563 18.0817 18.0833 19.0365 19.0387 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.3221 0.5755 ( 1406 PWs) bands (ev): -14.6323 -14.6321 -13.8957 -13.8955 -11.5826 -11.5825 -11.2783 -11.2782 -3.7232 -3.7230 -2.7222 -2.7219 -0.1205 -0.1189 0.1480 0.1503 2.7034 2.7097 3.4729 3.4785 4.8658 4.8678 5.5699 5.5747 7.2358 7.2382 7.3046 7.3061 7.8281 7.8329 8.0475 8.0490 17.6662 17.6675 18.0013 18.0021 18.0626 18.0636 18.6391 18.6401 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.3221 0.7290 ( 1393 PWs) bands (ev): -14.3219 -14.3217 -14.1765 -14.1764 -11.4553 -11.4552 -11.3778 -11.3778 -3.5949 -3.5947 -3.3744 -3.3742 -0.0235 -0.0215 0.0270 0.0294 3.0419 3.0493 3.2034 3.2096 5.4525 5.4552 5.6246 5.6284 7.3583 7.3594 7.4169 7.4192 7.8432 7.8432 7.9001 7.9002 17.8267 17.8280 17.8870 17.8873 18.2049 18.2057 18.3647 18.3656 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.3221 0.8824 ( 1399 PWs) bands (ev): -14.4734 -14.4733 -14.0349 -14.0347 -11.5294 -11.5294 -11.3149 -11.3148 -3.7127 -3.7126 -3.0723 -3.0720 -0.0697 -0.0678 0.0864 0.0888 2.8679 2.8748 3.3449 3.3511 5.1819 5.1842 5.6607 5.6653 7.2925 7.2932 7.4120 7.4125 7.8168 7.8190 7.9701 7.9710 17.8073 17.8093 17.9794 17.9799 18.0520 18.0525 18.5042 18.5051 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.3221 1.0359 ( 1408 PWs) bands (ev): -14.7966 -14.7965 -13.7602 -13.7601 -11.6029 -11.6028 -11.2696 -11.2694 -3.6405 -3.6403 -2.3656 -2.3654 -0.1826 -0.1815 0.1868 0.1889 2.6009 2.6062 3.5908 3.5952 4.5576 4.5589 5.4047 5.4090 7.1170 7.1214 7.1774 7.1784 7.8470 7.8532 8.1199 8.1212 17.4307 17.4312 17.8585 17.8594 18.1865 18.1877 18.7864 18.7875 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.3221 1.1894 ( 1408 PWs) bands (ev): -15.1164 -15.1163 -13.5194 -13.5192 -11.5413 -11.5412 -11.2997 -11.2995 -3.3346 -3.3341 -1.7990 -1.7988 -0.3180 -0.3177 0.0677 0.0687 2.8444 2.8464 3.6623 3.6641 4.2541 4.2575 5.0664 5.0681 6.6225 6.6266 6.9802 6.9805 7.8451 7.8516 8.1609 8.1611 17.0117 17.0126 17.2975 17.2983 18.3625 18.3636 19.0479 19.0489 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.3221-0.1918 ( 1409 PWs) bands (ev): -15.3655 -15.3655 -13.3584 -13.3583 -11.4072 -11.4071 -11.3197 -11.3196 -3.1153 -3.1147 -1.5927 -1.5922 -0.3407 -0.3396 -0.1733 -0.1729 3.3931 3.3960 3.6165 3.6180 4.5736 4.5766 4.9624 4.9649 6.0669 6.0699 6.6098 6.6113 7.8108 7.8153 7.9889 7.9895 16.8391 16.8407 16.9184 16.9193 18.2982 18.2998 18.9642 18.9650 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.3221-0.0384 ( 1426 PWs) bands (ev): -15.4838 -15.4838 -13.2946 -13.2945 -11.3176 -11.3176 -11.3140 -11.3140 -3.0737 -3.0735 -1.6220 -1.6218 -0.2659 -0.2655 -0.2578 -0.2577 3.2256 3.2263 4.0864 4.0874 4.9802 4.9808 5.4526 5.4560 5.5998 5.6006 5.9680 5.9707 7.7911 7.7920 7.8025 7.8026 16.8670 16.8673 16.8696 16.8702 18.1507 18.1513 18.6134 18.6137 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.3221 0.1151 ( 1420 PWs) bands (ev): -15.4436 -15.4436 -13.3151 -13.3151 -11.3500 -11.3499 -11.3176 -11.3175 -3.0812 -3.0807 -1.6006 -1.6003 -0.3004 -0.2994 -0.2346 -0.2344 3.2844 3.2863 3.9404 3.9428 4.7957 4.7975 5.1248 5.1289 5.8027 5.8047 6.3201 6.3225 7.7978 7.8007 7.8741 7.8746 16.8440 16.8453 16.8685 16.8693 18.2148 18.2162 18.7647 18.7654 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.3221 0.2686 ( 1406 PWs) bands (ev): -15.2541 -15.2541 -13.4266 -13.4265 -11.4762 -11.4761 -11.3144 -11.3142 -3.1988 -3.1982 -1.6482 -1.6478 -0.3515 -0.3506 -0.0642 -0.0635 3.2047 3.2049 3.5340 3.5371 4.3731 4.3770 4.9665 4.9668 6.3458 6.3494 6.8238 6.8243 7.8284 7.8341 8.0978 8.0980 16.8899 16.8913 17.0607 17.0616 18.3568 18.3581 19.0754 19.0762 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750-0.3221 0.4220 ( 1402 PWs) bands (ev): -14.9607 -14.9606 -13.6327 -13.6325 -11.5874 -11.5873 -11.2809 -11.2808 -3.4964 -3.4961 -2.0456 -2.0456 -0.2537 -0.2533 0.1647 0.1663 2.6330 2.6369 3.6797 3.6816 4.3206 4.3212 5.2229 5.2261 6.8844 6.8886 7.0945 7.0956 7.8534 7.8600 8.1650 8.1658 17.1994 17.1996 17.5895 17.5904 18.3023 18.3034 18.9339 18.9350 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.5630-0.0959 ( 1395 PWs) bands (ev): -14.7673 -14.7670 -13.7360 -13.7357 -11.4920 -11.4918 -11.2793 -11.2791 -3.8286 -3.8275 -3.2357 -3.2346 -0.0245 -0.0210 0.5701 0.5718 2.5106 2.5206 3.3632 3.3742 5.2151 5.2194 5.6426 5.6469 7.1639 7.1704 7.3162 7.3204 7.9193 7.9226 7.9700 7.9751 17.5673 17.5683 18.0922 18.0973 18.4115 18.4170 18.6983 18.7031 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.5630 0.0576 ( 1396 PWs) bands (ev): -14.7702 -14.7699 -13.7279 -13.7275 -11.4736 -11.4734 -11.2803 -11.2801 -3.8570 -3.8558 -3.3203 -3.3190 -0.0214 -0.0180 0.5914 0.5930 2.5084 2.5186 3.3634 3.3746 5.2789 5.2834 5.6904 5.6941 7.2007 7.2074 7.3111 7.3148 7.9127 7.9173 7.9542 7.9580 17.5619 17.5628 18.0848 18.0891 18.4458 18.4504 18.6516 18.6567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.5630 0.2110 ( 1407 PWs) bands (ev): -14.7590 -14.7588 -13.7791 -13.7787 -11.5648 -11.5645 -11.2865 -11.2862 -3.6335 -3.6327 -2.8142 -2.8133 -0.0524 -0.0490 0.4437 0.4456 2.5396 2.5482 3.3639 3.3731 4.9241 4.9275 5.3902 5.3953 7.0062 7.0129 7.2925 7.2981 7.9102 7.9110 8.0638 8.0683 17.4335 17.4344 18.0413 18.0467 18.4216 18.4262 18.8720 18.8755 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.5630 0.3645 ( 1403 PWs) bands (ev): -14.7885 -14.7883 -13.8456 -13.8454 -11.6246 -11.6242 -11.2980 -11.2976 -3.1967 -3.1962 -2.1271 -2.1264 -0.1690 -0.1669 0.1842 0.1861 2.7211 2.7256 3.3781 3.3816 4.5622 4.5639 5.0435 5.0471 6.6197 6.6255 7.2411 7.2465 7.7894 7.7905 8.1821 8.1855 16.9086 16.9099 17.5841 17.5866 18.6762 18.6775 19.1606 19.1629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.5630 0.5180 ( 1413 PWs) bands (ev): -14.8839 -14.8839 -13.8846 -13.8845 -11.5844 -11.5840 -11.2848 -11.2845 -2.8275 -2.8266 -1.7390 -1.7383 -0.2794 -0.2780 0.0052 0.0084 3.0926 3.0963 3.5668 3.5736 4.3444 4.3471 5.0170 5.0198 6.0731 6.0778 6.9678 6.9722 7.7056 7.7085 8.1714 8.1755 16.5091 16.5100 17.0634 17.0647 18.7560 18.7581 19.1900 19.1928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.5630-0.8633 ( 1428 PWs) bands (ev): -14.9742 -14.9742 -13.9043 -13.9042 -11.4541 -11.4539 -11.3081 -11.3079 -2.6581 -2.6573 -1.8412 -1.8407 -0.1567 -0.1560 -0.0430 -0.0405 3.3684 3.3691 3.8935 3.8945 4.5034 4.5088 5.3001 5.3047 5.5130 5.5144 6.3302 6.3344 7.8030 7.8045 8.0321 8.0357 16.4930 16.4937 16.7642 16.7651 18.5702 18.5729 18.7910 18.7941 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.5630-0.7098 ( 1428 PWs) bands (ev): -14.9861 -14.9861 -13.9068 -13.9068 -11.4179 -11.4177 -11.3275 -11.3273 -2.6387 -2.6380 -1.8788 -1.8783 -0.1214 -0.1206 -0.0515 -0.0495 3.4166 3.4174 3.8801 3.8813 4.6713 4.6761 5.2121 5.2162 5.5671 5.5708 6.1502 6.1545 7.8442 7.8459 7.9863 7.9893 16.5383 16.5390 16.7076 16.7085 18.5313 18.5336 18.7090 18.7113 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.5630-0.5563 ( 1415 PWs) bands (ev): -14.9107 -14.9106 -13.8908 -13.8907 -11.5576 -11.5573 -11.2839 -11.2836 -2.7687 -2.7677 -1.7329 -1.7321 -0.2660 -0.2646 -0.0144 -0.0112 3.1733 3.1771 3.6813 3.6881 4.3127 4.3156 5.0737 5.0769 5.9211 5.9254 6.8358 6.8402 7.7158 7.7185 8.1463 8.1505 16.4682 16.4690 16.9690 16.9702 18.7248 18.7273 19.1098 19.1129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.5630-0.4029 ( 1404 PWs) bands (ev): -14.8076 -14.8075 -13.8582 -13.8580 -11.6252 -11.6248 -11.2960 -11.2956 -3.0871 -3.0865 -1.9825 -1.9819 -0.2097 -0.2084 0.1244 0.1266 2.8053 2.8084 3.3945 3.3967 4.4977 4.4998 4.9975 5.0008 6.4950 6.5005 7.2074 7.2124 7.7534 7.7552 8.1934 8.1970 16.7800 16.7812 17.4392 17.4413 18.7257 18.7270 19.2122 19.2142 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.5630-0.2494 ( 1404 PWs) bands (ev): -14.7600 -14.7598 -13.7968 -13.7965 -11.5866 -11.5863 -11.2912 -11.2909 -3.5352 -3.5346 -2.6416 -2.6407 -0.0717 -0.0683 0.3836 0.3856 2.5643 2.5721 3.3649 3.3730 4.8201 4.8229 5.2907 5.2957 6.9290 6.9355 7.2831 7.2890 7.8900 7.8905 8.1007 8.1046 17.3203 17.3214 17.9679 17.9724 18.4737 18.4771 18.9438 18.9470 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.4366 0.1535 ( 1405 PWs) bands (ev): -15.2245 -15.2243 -13.2683 -13.2678 -11.5205 -11.5202 -11.1154 -11.1151 -4.0066 -4.0055 -2.9255 -2.9242 -0.2351 -0.2310 0.7303 0.7309 2.2140 2.2236 3.8391 3.8510 5.0055 5.0111 5.6991 5.7040 6.8222 6.8309 6.9843 6.9882 7.8808 7.8844 7.9523 7.9556 17.2542 17.2559 18.2028 18.2096 18.6691 18.6754 18.9957 19.0041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.4366 0.3069 ( 1400 PWs) bands (ev): -15.0659 -15.0656 -13.5245 -13.5241 -11.6634 -11.6630 -11.1171 -11.1167 -3.5594 -3.5589 -2.2725 -2.2714 -0.3284 -0.3257 0.4016 0.4027 2.5769 2.5856 3.5115 3.5203 4.9405 4.9441 5.1187 5.1261 6.4775 6.4836 7.0000 7.0044 7.8638 7.8693 8.2006 8.2046 16.8521 16.8525 18.0351 18.0392 18.8250 18.8267 19.1602 19.1666 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.4366 0.4604 ( 1413 PWs) bands (ev): -14.8595 -14.8592 -13.8556 -13.8554 -11.7310 -11.7306 -11.1344 -11.1340 -3.0882 -3.0875 -1.6394 -1.6390 -0.4862 -0.4857 0.1699 0.1739 2.9443 2.9453 3.3182 3.3213 4.4931 4.4968 5.2241 5.2266 5.9583 5.9624 7.2143 7.2169 7.5787 7.5834 8.3322 8.3372 16.3718 16.3724 17.5112 17.5128 19.0855 19.0886 19.3623 19.3681 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.4366 0.6139 ( 1414 PWs) bands (ev): -14.6502 -14.6500 -14.1728 -14.1726 -11.6374 -11.6370 -11.2323 -11.2320 -2.6777 -2.6765 -1.7222 -1.7218 -0.3089 -0.3082 0.0638 0.0678 3.0272 3.0297 3.8097 3.8163 4.1444 4.1487 5.3280 5.3332 5.6772 5.6799 6.9791 6.9841 7.5708 7.5728 8.2485 8.2534 16.2852 16.2857 17.0383 17.0393 18.9441 18.9461 19.1972 19.2014 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.3101 0.0959 ( 1402 PWs) bands (ev): -15.6770 -15.6768 -12.7558 -12.7554 -11.4300 -11.4297 -10.9041 -10.9038 -4.4428 -4.4418 -2.7555 -2.7543 -0.5853 -0.5818 0.7772 0.7785 2.1799 2.1884 4.1729 4.1781 5.0775 5.0785 5.9049 5.9074 6.5721 6.5757 6.9690 6.9774 7.6223 7.6293 7.7800 7.7848 17.0379 17.0412 18.2438 18.2490 18.7230 18.7314 18.8791 18.8903 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.3101 0.2494 ( 1402 PWs) bands (ev): -15.5135 -15.5132 -13.0458 -13.0454 -11.5346 -11.5341 -10.9010 -10.9005 -4.1613 -4.1607 -2.2171 -2.2159 -0.6496 -0.6470 0.5218 0.5242 2.4716 2.4794 4.0395 4.0460 4.9190 4.9219 5.3571 5.3612 6.4872 6.4936 6.6777 6.6816 7.7994 7.8084 8.0588 8.0643 16.9389 16.9407 18.3132 18.3208 18.6903 18.6961 19.0394 19.0466 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.3101 0.4029 ( 1398 PWs) bands (ev): -15.2542 -15.2540 -13.4200 -13.4197 -11.6619 -11.6614 -10.9503 -10.9497 -3.7277 -3.7274 -1.5342 -1.5333 -0.7900 -0.7881 0.2946 0.2989 2.8816 2.8877 3.5587 3.5622 4.6926 4.6953 5.1418 5.1445 6.0099 6.0141 6.9058 6.9128 7.8422 7.8503 8.2619 8.2669 16.5481 16.5484 18.0388 18.0405 18.8404 18.8428 19.3514 19.3580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.3101 0.5563 ( 1405 PWs) bands (ev): -14.9905 -14.9903 -13.7343 -13.7342 -11.6917 -11.6912 -11.1066 -11.1061 -3.2478 -3.2470 -1.4779 -1.4773 -0.5549 -0.5533 0.1362 0.1404 3.0105 3.0111 3.4218 3.4255 4.3773 4.3801 5.2876 5.2897 5.7843 5.7888 7.2378 7.2463 7.6195 7.6267 8.3108 8.3154 16.4044 16.4049 17.5277 17.5291 18.8895 18.8903 19.5053 19.5091 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.3101 0.7098 ( 1413 PWs) bands (ev): -14.8326 -14.8325 -13.9023 -13.9023 -11.5587 -11.5583 -11.3515 -11.3512 -2.8103 -2.8096 -1.8710 -1.8703 -0.2144 -0.2131 0.0072 0.0096 3.0331 3.0358 3.4488 3.4534 4.4273 4.4295 4.9120 4.9138 6.3785 6.3835 6.9338 6.9379 7.7997 7.8035 8.1206 8.1240 16.6749 16.6760 17.0554 17.0569 18.7341 18.7357 19.1635 19.1650 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.3101-0.6714 ( 1407 PWs) bands (ev): -14.8568 -14.8567 -13.8773 -13.8772 -11.6050 -11.6046 -11.2881 -11.2878 -2.9002 -2.8994 -1.7826 -1.7819 -0.2723 -0.2711 0.0342 0.0371 3.0003 3.0030 3.4801 3.4854 4.3892 4.3919 4.9840 4.9867 6.2204 6.2254 7.0741 7.0787 7.7083 7.7112 8.1880 8.1920 16.5762 16.5772 17.1743 17.1759 18.7671 18.7689 19.2347 19.2368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.3101-0.5180 ( 1405 PWs) bands (ev): -15.0507 -15.0505 -13.6669 -13.6667 -11.6990 -11.6985 -11.0565 -11.0560 -3.3692 -3.3685 -1.4067 -1.4059 -0.6642 -0.6622 0.1733 0.1777 3.0447 3.0462 3.3696 3.3720 4.4247 4.4265 5.3535 5.3556 5.7135 5.7181 7.1670 7.1749 7.6882 7.6956 8.3197 8.3243 16.4005 16.4008 17.6502 17.6515 18.9073 18.9079 19.5234 19.5310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.3101-0.3645 ( 1397 PWs) bands (ev): -15.3236 -15.3234 -13.3276 -13.3272 -11.6346 -11.6340 -10.9294 -10.9289 -3.8433 -3.8430 -1.6883 -1.6872 -0.7578 -0.7559 0.3424 0.3463 2.7755 2.7821 3.6945 3.6989 4.8190 4.8225 5.0636 5.0662 6.1514 6.1559 6.8239 6.8307 7.8565 7.8651 8.2212 8.2264 16.6391 16.6397 18.1620 18.1648 18.7848 18.7881 19.2658 19.2719 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.3101-0.2110 ( 1405 PWs) bands (ev): -15.5660 -15.5658 -12.9584 -12.9580 -11.5021 -11.5016 -10.8995 -10.8990 -4.2510 -4.2503 -2.3820 -2.3808 -0.6250 -0.6220 0.5905 0.5924 2.3832 2.3912 4.1039 4.1105 4.9386 4.9411 5.5373 5.5416 6.4990 6.5061 6.7346 6.7391 7.7580 7.7667 7.9936 7.9988 17.0104 17.0127 18.2740 18.2812 18.7155 18.7209 18.9858 18.9940 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.3101-0.0576 ( 1401 PWs) bands (ev): -15.6963 -15.6961 -12.7177 -12.7172 -11.4174 -11.4171 -10.9058 -10.9056 -4.4762 -4.4751 -2.8240 -2.8229 -0.5802 -0.5766 0.8172 0.8185 2.1406 2.1491 4.1770 4.1819 5.1151 5.1160 5.9402 5.9416 6.6436 6.6454 7.0152 7.0252 7.5890 7.5948 7.7199 7.7251 17.0154 17.0187 18.2528 18.2574 18.7354 18.7450 18.8446 18.8560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.1837 0.1918 ( 1402 PWs) bands (ev): -15.8636 -15.8635 -12.6818 -12.6814 -11.3369 -11.3365 -10.7534 -10.7530 -4.5987 -4.5980 -2.0548 -2.0536 -0.8801 -0.8777 0.4625 0.4656 2.6390 2.6453 4.0559 4.0582 4.8733 4.8767 5.4527 5.4575 6.1559 6.1645 7.1305 7.1420 7.5164 7.5241 7.9898 7.9994 17.0294 17.0339 18.1030 18.1103 18.5941 18.5975 18.8962 18.9005 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.1837 0.3453 ( 1395 PWs) bands (ev): -15.6048 -15.6046 -13.0994 -13.0991 -11.4020 -11.4014 -10.7999 -10.7993 -4.3505 -4.3502 -1.5879 -1.5870 -0.8954 -0.8927 0.3374 0.3417 2.8990 2.9042 4.0769 4.0800 4.5894 4.5944 4.8459 4.8495 6.4640 6.4721 6.6677 6.6716 7.7355 7.7478 8.1513 8.1596 16.9112 16.9137 18.3461 18.3524 18.6677 18.6717 18.9826 18.9856 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.1837 0.4988 ( 1402 PWs) bands (ev): -15.3021 -15.3020 -13.4198 -13.4196 -11.5148 -11.5142 -10.9675 -10.9670 -3.9621 -3.9618 -1.5693 -1.5685 -0.5914 -0.5889 0.2204 0.2239 2.9983 3.0043 3.5960 3.6007 4.5492 4.5520 4.9904 4.9927 6.0904 6.0963 7.0522 7.0635 7.9060 7.9172 8.1565 8.1620 16.7809 16.7814 18.1010 18.1036 18.5601 18.5633 19.2674 19.2728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.1837 0.6522 ( 1405 PWs) bands (ev): -15.0893 -15.0892 -13.5566 -13.5565 -11.5713 -11.5710 -11.2010 -11.2006 -3.5542 -3.5538 -1.8120 -1.8115 -0.3175 -0.3159 0.1246 0.1266 2.7628 2.7658 3.6523 3.6544 4.3602 4.3627 5.1195 5.1211 6.3841 6.3904 7.2511 7.2589 7.8208 7.8232 8.1840 8.1881 16.9257 16.9269 17.6532 17.6557 18.4173 18.4192 19.1227 19.1247 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.1837 0.8057 ( 1407 PWs) bands (ev): -15.0456 -15.0455 -13.5723 -13.5721 -11.5690 -11.5688 -11.2788 -11.2786 -3.4319 -3.4315 -1.8989 -1.8986 -0.2900 -0.2894 0.1231 0.1245 2.7204 2.7233 3.6862 3.6870 4.2724 4.2744 5.1367 5.1390 6.6815 6.6868 7.0979 7.1020 7.8432 7.8494 8.1728 8.1749 17.0666 17.0676 17.4754 17.4770 18.3503 18.3516 19.0137 19.0149 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.1837-0.5755 ( 1405 PWs) bands (ev): -15.1768 -15.1767 -13.5107 -13.5105 -11.5548 -11.5543 -11.0857 -11.0853 -3.7474 -3.7470 -1.6859 -1.6852 -0.4170 -0.4150 0.1585 0.1612 2.8710 2.8751 3.5948 3.5979 4.4703 4.4734 5.0921 5.0932 6.1328 6.1396 7.2232 7.2341 7.8659 7.8705 8.1745 8.1780 16.8161 16.8168 17.8686 17.8713 18.5051 18.5076 19.2471 19.2511 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.1837-0.4220 ( 1394 PWs) bands (ev): -15.4509 -15.4508 -13.2802 -13.2799 -11.4594 -11.4589 -10.8684 -10.8678 -4.1688 -4.1686 -1.5122 -1.5113 -0.7819 -0.7791 0.2824 0.2866 3.0025 3.0080 3.7920 3.7962 4.6313 4.6348 4.7989 4.8006 6.2747 6.2782 6.8254 6.8352 7.8488 7.8623 8.1623 8.1703 16.8201 16.8215 18.3144 18.3189 18.5730 18.5777 19.1616 19.1664 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.1837-0.2686 ( 1399 PWs) bands (ev): -15.7467 -15.7466 -12.8926 -12.8922 -11.3570 -11.3565 -10.7639 -10.7634 -4.4960 -4.4955 -1.8011 -1.8000 -0.9058 -0.9033 0.3952 0.3990 2.7662 2.7719 4.1506 4.1520 4.6525 4.6546 5.1474 5.1509 6.2851 6.2957 6.8931 6.9018 7.6149 7.6252 8.0939 8.1027 17.0059 17.0097 18.2119 18.2188 18.7358 18.7395 18.8687 18.8723 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.1837-0.1151 ( 1400 PWs) bands (ev): -15.9463 -15.9461 -12.4986 -12.4981 -11.3445 -11.3442 -10.7559 -10.7556 -4.6588 -4.6580 -2.2692 -2.2681 -0.8572 -0.8547 0.5294 0.5318 2.5385 2.5452 3.9761 3.9780 5.0737 5.0770 5.5261 5.5297 6.2851 6.2888 7.2633 7.2759 7.4902 7.4955 7.8522 7.8629 16.9557 16.9599 18.1105 18.1163 18.4557 18.4603 18.8591 18.8646 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k =-0.3750 0.1837 0.0384 ( 1402 PWs) bands (ev): -15.9889 -15.9888 -12.3864 -12.3859 -11.3625 -11.3623 -10.7600 -10.7597 -4.6844 -4.6836 -2.3916 -2.3905 -0.8456 -0.8431 0.5726 0.5747 2.4822 2.4890 3.9371 3.9382 5.1938 5.1970 5.4763 5.4777 6.4814 6.4827 7.2684 7.2732 7.5682 7.5759 7.7138 7.7239 16.8762 16.8800 18.1624 18.1658 18.3719 18.3790 18.8107 18.8159 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.0763-0.3837 ( 1396 PWs) bands (ev): -15.5006 -15.5006 -13.3311 -13.3311 -11.2185 -11.2185 -10.8840 -10.8840 -4.4630 -4.4630 -1.5633 -1.5633 -0.3584 -0.3584 0.0653 0.0653 3.5733 3.5733 3.5808 3.5808 4.2295 4.2295 4.5848 4.5848 6.5668 6.5668 6.7820 6.7820 7.8955 7.8955 8.0846 8.0846 17.1940 17.1940 18.2253 18.2253 18.5652 18.5652 18.9118 18.9118 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.0763-0.2302 ( 1397 PWs) bands (ev): -15.5446 -15.5445 -13.1910 -13.1907 -11.2890 -11.2889 -10.9285 -10.9284 -4.3741 -4.3737 -1.6826 -1.6818 -0.4731 -0.4711 0.1356 0.1372 3.2885 3.2946 3.4981 3.5047 4.4746 4.4790 4.9939 4.9995 6.1461 6.1551 7.2286 7.2429 7.8110 7.8188 8.0703 8.0840 17.2367 17.2385 18.0173 18.0210 18.2795 18.2826 19.0043 19.0072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.0763-0.0767 ( 1404 PWs) bands (ev): -15.6095 -15.6093 -12.9364 -12.9361 -11.4540 -11.4538 -10.9838 -10.9835 -4.2042 -4.2036 -1.9161 -1.9152 -0.6323 -0.6307 0.2597 0.2608 3.1686 3.1737 3.2883 3.2947 4.7810 4.7845 5.1594 5.1628 6.4176 6.4227 7.2490 7.2575 7.7853 7.7935 8.0584 8.0685 17.2465 17.2485 17.8161 17.8200 17.9966 18.0006 18.8295 18.8321 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.2027-0.2878 ( 1405 PWs) bands (ev): -15.4177 -15.4176 -13.3169 -13.3167 -11.3565 -11.3561 -10.9211 -10.9208 -4.3408 -4.3404 -1.8016 -1.8006 -0.4743 -0.4718 0.2405 0.2427 3.0087 3.0148 3.5702 3.5755 4.7175 4.7222 4.9646 4.9694 6.6079 6.6157 6.8222 6.8319 7.8632 7.8756 8.0775 8.0857 17.1662 17.1679 18.1814 18.1856 18.5562 18.5576 18.8764 18.8783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.2027-0.1343 ( 1399 PWs) bands (ev): -15.4657 -15.4655 -13.1049 -13.1046 -11.4481 -11.4479 -10.9491 -10.9489 -4.3273 -4.3266 -2.2680 -2.2669 -0.6098 -0.6072 0.4409 0.4418 2.8604 2.8679 3.3996 3.4044 5.1430 5.1486 5.4439 5.4507 6.5848 6.5926 7.1994 7.2096 7.6887 7.6977 7.9693 7.9780 17.2747 17.2775 18.0190 18.0236 18.4099 18.4142 18.7230 18.7282 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.2027 0.0192 ( 1400 PWs) bands (ev): -15.4894 -15.4892 -12.9962 -12.9958 -11.5049 -11.5047 -10.9670 -10.9668 -4.2787 -4.2780 -2.4666 -2.4656 -0.6665 -0.6640 0.5122 0.5127 2.8551 2.8633 3.3358 3.3397 5.3725 5.3786 5.4231 5.4292 6.7296 6.7322 7.3617 7.3661 7.6821 7.6848 7.8045 7.8112 17.2110 17.2131 18.1296 18.1326 18.2243 18.2284 18.6297 18.6334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.2027 0.1727 ( 1400 PWs) bands (ev): -15.4525 -15.4524 -13.1621 -13.1618 -11.4209 -11.4206 -10.9398 -10.9396 -4.3444 -4.3438 -2.1576 -2.1565 -0.5765 -0.5739 0.3975 0.3987 2.8750 2.8821 3.4379 3.4430 5.0441 5.0497 5.3714 5.3782 6.5746 6.5837 7.0874 7.0969 7.7283 7.7383 8.0156 8.0244 17.2798 17.2827 18.0212 18.0262 18.4957 18.4999 18.7459 18.7509 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.2027 0.3261 ( 1399 PWs) bands (ev): -15.4134 -15.4133 -13.3473 -13.3472 -11.3453 -11.3449 -10.9229 -10.9225 -4.3156 -4.3153 -1.6945 -1.6937 -0.4518 -0.4494 0.1870 0.1894 3.0919 3.0974 3.6034 3.6086 4.5835 4.5869 4.8638 4.8674 6.4520 6.4596 6.9176 6.9294 7.9062 7.9192 8.0712 8.0791 17.1104 17.1116 18.2383 18.2426 18.4646 18.4666 18.9742 18.9769 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.2027-1.0551 ( 1403 PWs) bands (ev): -15.4555 -15.4555 -13.3071 -13.3070 -11.3544 -11.3538 -10.9897 -10.9892 -4.1089 -4.1085 -1.4299 -1.4291 -0.4504 -0.4485 -0.0022 -0.0004 3.4727 3.4770 3.6409 3.6448 4.0508 4.0544 4.9926 4.9957 5.7982 5.8039 7.2887 7.3035 7.9381 7.9415 8.0520 8.0639 16.9574 16.9578 17.9409 17.9427 18.2935 18.2951 19.2657 19.2701 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.2027-0.9016 ( 1408 PWs) bands (ev): -15.5436 -15.5435 -13.0967 -13.0964 -11.4167 -11.4162 -11.1165 -11.1162 -3.8326 -3.8320 -1.4966 -1.4959 -0.5093 -0.5086 -0.0646 -0.0641 3.3149 3.3182 3.5969 3.6002 4.3111 4.3134 5.0511 5.0548 5.9235 5.9292 7.2321 7.2426 7.8003 7.8038 8.1326 8.1397 17.0039 17.0052 17.5262 17.5289 18.0866 18.0881 19.1492 19.1520 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.2027-0.7482 ( 1408 PWs) bands (ev): -15.5776 -15.5775 -12.9948 -12.9946 -11.4519 -11.4518 -11.1706 -11.1704 -3.7147 -3.7142 -1.5924 -1.5921 -0.5413 -0.5412 -0.0413 -0.0407 3.2993 3.3001 3.4762 3.4768 4.4255 4.4281 5.0302 5.0310 6.3349 6.3377 6.9636 6.9658 7.7728 7.7786 8.1531 8.1546 17.1083 17.1095 17.3630 17.3642 17.9827 17.9830 18.9936 18.9949 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.2027-0.5947 ( 1407 PWs) bands (ev): -15.5233 -15.5233 -13.1515 -13.1513 -11.3994 -11.3989 -11.0856 -11.0852 -3.8979 -3.8972 -1.4568 -1.4561 -0.4927 -0.4919 -0.0666 -0.0661 3.3452 3.3491 3.6511 3.6551 4.2106 4.2136 5.0900 5.0944 5.7788 5.7850 7.3015 7.3141 7.8210 7.8237 8.1187 8.1276 16.9736 16.9747 17.6114 17.6141 18.1426 18.1441 19.2155 19.2189 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.2027-0.4412 ( 1400 PWs) bands (ev): -15.4368 -15.4368 -13.3407 -13.3407 -11.3450 -11.3445 -10.9642 -10.9637 -4.1732 -4.1729 -1.4655 -1.4648 -0.4410 -0.4390 0.0395 0.0418 3.4300 3.4315 3.6041 3.6065 4.1466 4.1499 4.9045 4.9077 5.9426 5.9485 7.2195 7.2338 7.9827 7.9851 8.0233 8.0338 16.9792 16.9795 18.0683 18.0699 18.3188 18.3208 19.2216 19.2258 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.3292-0.1918 ( 1400 PWs) bands (ev): -15.1695 -15.1693 -13.3931 -13.3928 -11.5219 -11.5216 -11.0840 -11.0838 -4.0620 -4.0613 -2.4902 -2.4891 -0.4108 -0.4076 0.4697 0.4707 2.5855 2.5936 3.5599 3.5667 5.0834 5.0870 5.5395 5.5438 6.7465 6.7534 7.0543 7.0650 7.8842 7.8954 7.9798 7.9858 17.2906 17.2918 18.1251 18.1304 18.4614 18.4660 18.8423 18.8458 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.3292-0.0384 ( 1398 PWs) bands (ev): -15.1975 -15.1972 -13.2840 -13.2836 -11.4981 -11.4979 -11.1104 -11.1102 -4.1025 -4.1015 -2.9462 -2.9451 -0.4662 -0.4632 0.6046 0.6050 2.5695 2.5787 3.5280 3.5358 5.4410 5.4430 5.7804 5.7838 6.9695 6.9723 7.1600 7.1700 7.7515 7.7568 7.8337 7.8393 17.3159 17.3176 18.1806 18.1850 18.4549 18.4632 18.5888 18.5963 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.3292 0.1151 ( 1400 PWs) bands (ev): -15.1861 -15.1859 -13.3257 -13.3253 -11.5082 -11.5079 -11.0979 -11.0977 -4.1002 -4.0993 -2.7747 -2.7736 -0.4446 -0.4415 0.5583 0.5590 2.5697 2.5784 3.5383 3.5458 5.2982 5.3015 5.7192 5.7235 6.8723 6.8766 7.1073 7.1169 7.8039 7.8134 7.9044 7.9087 17.3406 17.3424 18.1354 18.1401 18.4367 18.4434 18.7176 18.7237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.3292 0.2686 ( 1401 PWs) bands (ev): -15.1586 -15.1584 -13.4608 -13.4605 -11.5357 -11.5353 -11.0774 -11.0771 -3.9691 -3.9686 -2.1580 -2.1569 -0.3852 -0.3822 0.3502 0.3518 2.6445 2.6514 3.5858 3.5915 4.8392 4.8421 5.3033 5.3061 6.5421 6.5498 7.0928 7.1038 7.9263 7.9343 8.0608 8.0653 17.1214 17.1219 18.1603 18.1669 18.4170 18.4229 18.9988 19.0016 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.3292 0.4220 ( 1404 PWs) bands (ev): -15.1943 -15.1942 -13.5079 -13.5078 -11.5590 -11.5585 -11.0938 -11.0933 -3.6624 -3.6619 -1.5594 -1.5587 -0.4483 -0.4464 0.1004 0.1035 2.9823 2.9848 3.5932 3.5958 4.3561 4.3595 5.0941 5.0959 5.9853 5.9918 7.2613 7.2724 7.8194 7.8242 8.1975 8.2009 16.7338 16.7345 17.7322 17.7344 18.5291 18.5311 19.3110 19.3152 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.3292-0.9592 ( 1410 PWs) bands (ev): -15.2942 -15.2942 -13.4312 -13.4311 -11.5353 -11.5348 -11.1662 -11.1658 -3.3344 -3.3336 -1.3897 -1.3886 -0.4847 -0.4825 -0.0844 -0.0812 3.2655 3.2685 3.9281 3.9322 3.9653 3.9666 5.3175 5.3233 5.5244 5.5275 7.1906 7.1999 7.6741 7.6789 8.1705 8.1735 16.6056 16.6062 17.2712 17.2729 18.4601 18.4618 19.2986 19.2998 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.3292-0.8057 ( 1409 PWs) bands (ev): -15.3623 -15.3623 -13.3618 -13.3617 -11.4242 -11.4239 -11.3018 -11.3016 -3.1261 -3.1254 -1.5794 -1.5789 -0.3492 -0.3480 -0.1699 -0.1688 3.3770 3.3797 3.6421 3.6441 4.5309 4.5328 4.9926 4.9949 6.0085 6.0121 6.6686 6.6716 7.7947 7.7987 8.0066 8.0081 16.7939 16.7952 16.9645 16.9658 18.3072 18.3088 18.9835 18.9843 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.3292-0.6522 ( 1408 PWs) bands (ev): -15.3378 -15.3378 -13.3874 -13.3872 -11.4874 -11.4870 -11.2305 -11.2301 -3.2046 -3.2037 -1.4899 -1.4891 -0.4087 -0.4073 -0.1410 -0.1386 3.3124 3.3149 3.7805 3.7837 4.2763 4.2786 5.1523 5.1563 5.7394 5.7434 6.9435 6.9491 7.7224 7.7254 8.0922 8.0950 16.6714 16.6723 17.1083 17.1100 18.3710 18.3728 19.1192 19.1202 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.3292-0.4988 ( 1410 PWs) bands (ev): -15.2417 -15.2416 -13.4781 -13.4780 -11.5577 -11.5572 -11.1208 -11.1204 -3.4921 -3.4913 -1.3957 -1.3947 -0.5028 -0.5005 -0.0023 0.0010 3.1849 3.1872 3.6647 3.6698 4.1464 4.1500 5.1991 5.2024 5.6979 5.7033 7.2931 7.3049 7.7146 7.7207 8.2089 8.2120 16.6255 16.6261 17.4776 17.4793 18.5245 18.5261 19.3748 19.3781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.3292-0.3453 ( 1409 PWs) bands (ev): -15.1649 -15.1648 -13.5035 -13.5034 -11.5490 -11.5485 -11.0805 -11.0801 -3.8288 -3.8284 -1.8320 -1.8311 -0.3945 -0.3922 0.2205 0.2229 2.7751 2.7803 3.5974 3.6014 4.5902 4.5930 5.1290 5.1297 6.2771 6.2843 7.1792 7.1900 7.9008 7.9058 8.1422 8.1458 16.9122 16.9128 17.9993 18.0030 18.4675 18.4709 19.1702 19.1739 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.4556-0.0959 ( 1395 PWs) bands (ev): -14.7673 -14.7670 -13.7360 -13.7357 -11.4920 -11.4918 -11.2793 -11.2791 -3.8286 -3.8275 -3.2357 -3.2346 -0.0245 -0.0210 0.5701 0.5718 2.5106 2.5206 3.3632 3.3742 5.2151 5.2194 5.6426 5.6469 7.1639 7.1704 7.3162 7.3204 7.9193 7.9226 7.9700 7.9751 17.5673 17.5683 18.0922 18.0973 18.4115 18.4170 18.6983 18.7031 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.4556 0.0576 ( 1396 PWs) bands (ev): -14.7702 -14.7699 -13.7279 -13.7275 -11.4736 -11.4734 -11.2803 -11.2801 -3.8570 -3.8558 -3.3203 -3.3190 -0.0214 -0.0180 0.5914 0.5930 2.5084 2.5186 3.3634 3.3746 5.2789 5.2834 5.6904 5.6941 7.2007 7.2074 7.3111 7.3148 7.9127 7.9173 7.9542 7.9580 17.5619 17.5628 18.0848 18.0891 18.4458 18.4504 18.6516 18.6567 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.4556 0.2110 ( 1407 PWs) bands (ev): -14.7590 -14.7588 -13.7791 -13.7787 -11.5648 -11.5645 -11.2865 -11.2862 -3.6335 -3.6327 -2.8142 -2.8133 -0.0524 -0.0490 0.4437 0.4456 2.5396 2.5482 3.3639 3.3731 4.9241 4.9275 5.3902 5.3953 7.0062 7.0129 7.2925 7.2981 7.9102 7.9110 8.0638 8.0683 17.4335 17.4344 18.0413 18.0467 18.4216 18.4262 18.8720 18.8755 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.4556 0.3645 ( 1403 PWs) bands (ev): -14.7885 -14.7883 -13.8456 -13.8454 -11.6246 -11.6242 -11.2980 -11.2976 -3.1967 -3.1962 -2.1271 -2.1264 -0.1690 -0.1669 0.1842 0.1861 2.7211 2.7256 3.3781 3.3816 4.5622 4.5639 5.0435 5.0471 6.6197 6.6255 7.2411 7.2465 7.7894 7.7905 8.1821 8.1855 16.9086 16.9099 17.5841 17.5866 18.6762 18.6775 19.1606 19.1629 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.4556 0.5180 ( 1413 PWs) bands (ev): -14.8839 -14.8839 -13.8846 -13.8845 -11.5844 -11.5840 -11.2848 -11.2845 -2.8275 -2.8266 -1.7390 -1.7383 -0.2794 -0.2780 0.0052 0.0084 3.0926 3.0963 3.5667 3.5736 4.3444 4.3471 5.0170 5.0198 6.0731 6.0778 6.9678 6.9722 7.7056 7.7085 8.1714 8.1755 16.5091 16.5100 17.0634 17.0647 18.7560 18.7581 19.1900 19.1928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.4556-0.8633 ( 1428 PWs) bands (ev): -14.9742 -14.9742 -13.9043 -13.9042 -11.4541 -11.4539 -11.3081 -11.3079 -2.6581 -2.6573 -1.8412 -1.8407 -0.1567 -0.1560 -0.0430 -0.0405 3.3684 3.3691 3.8935 3.8945 4.5034 4.5088 5.3001 5.3047 5.5130 5.5144 6.3302 6.3344 7.8030 7.8045 8.0321 8.0357 16.4930 16.4937 16.7642 16.7651 18.5702 18.5729 18.7910 18.7941 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.4556-0.7098 ( 1428 PWs) bands (ev): -14.9861 -14.9861 -13.9068 -13.9068 -11.4179 -11.4177 -11.3275 -11.3273 -2.6387 -2.6380 -1.8788 -1.8783 -0.1214 -0.1206 -0.0515 -0.0495 3.4166 3.4174 3.8801 3.8813 4.6713 4.6761 5.2121 5.2162 5.5671 5.5708 6.1502 6.1545 7.8442 7.8459 7.9863 7.9893 16.5383 16.5390 16.7076 16.7085 18.5313 18.5336 18.7090 18.7113 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.4556-0.5563 ( 1415 PWs) bands (ev): -14.9107 -14.9106 -13.8908 -13.8907 -11.5576 -11.5573 -11.2839 -11.2836 -2.7687 -2.7677 -1.7329 -1.7321 -0.2660 -0.2646 -0.0144 -0.0112 3.1733 3.1771 3.6813 3.6881 4.3127 4.3156 5.0737 5.0769 5.9211 5.9254 6.8358 6.8402 7.7158 7.7185 8.1463 8.1505 16.4682 16.4690 16.9690 16.9702 18.7248 18.7273 19.1098 19.1129 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.4556-0.4029 ( 1404 PWs) bands (ev): -14.8076 -14.8075 -13.8582 -13.8580 -11.6252 -11.6248 -11.2960 -11.2956 -3.0871 -3.0865 -1.9825 -1.9819 -0.2097 -0.2084 0.1244 0.1266 2.8053 2.8084 3.3945 3.3967 4.4977 4.4998 4.9975 5.0008 6.4950 6.5005 7.2074 7.2124 7.7534 7.7552 8.1934 8.1970 16.7800 16.7812 17.4392 17.4413 18.7257 18.7270 19.2122 19.2142 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.5000-0.4556-0.2494 ( 1404 PWs) bands (ev): -14.7600 -14.7598 -13.7968 -13.7965 -11.5866 -11.5863 -11.2912 -11.2909 -3.5352 -3.5346 -2.6416 -2.6407 -0.0717 -0.0683 0.3836 0.3856 2.5643 2.5721 3.3649 3.3730 4.8201 4.8229 5.2907 5.2957 6.9290 6.9355 7.2831 7.2890 7.8900 7.8905 8.1007 8.1046 17.3203 17.3214 17.9679 17.9724 18.4737 18.4771 18.9438 18.9470 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 10.4481 ev ! total energy = -154.19808025 Ry Harris-Foulkes estimate = -154.19808025 Ry estimated scf accuracy < 4.8E-10 Ry The total energy is the sum of the following terms: one-electron contribution = -20.02057381 Ry hartree contribution = 32.55297640 Ry xc contribution = -39.39998021 Ry ewald contribution = -127.33050263 Ry smearing contrib. (-TS) = 0.00000000 Ry convergence has been achieved in 20 iterations Writing output data file CO2.save init_run : 16.39s CPU 17.65s WALL ( 1 calls) electrons : 1105.10s CPU 1119.43s WALL ( 1 calls) Called by init_run: wfcinit : 16.16s CPU 16.79s WALL ( 1 calls) potinit : 0.04s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 979.14s CPU 990.84s WALL ( 20 calls) sum_band : 125.40s CPU 127.24s WALL ( 20 calls) v_of_rho : 0.10s CPU 0.16s WALL ( 21 calls) v_h : 0.01s CPU 0.01s WALL ( 21 calls) v_xc : 0.08s CPU 0.13s WALL ( 21 calls) newd : 0.24s CPU 0.26s WALL ( 21 calls) mix_rho : 0.07s CPU 0.14s WALL ( 20 calls) Called by c_bands: init_us_2 : 0.34s CPU 0.85s WALL ( 23124 calls) cegterg : 970.68s CPU 980.96s WALL ( 11280 calls) Called by sum_band: sum_band:bec : 3.68s CPU 4.41s WALL ( 11280 calls) addusdens : 0.10s CPU 0.10s WALL ( 20 calls) Called by *egterg: h_psi : 724.44s CPU 749.61s WALL ( 46789 calls) s_psi : 18.19s CPU 19.36s WALL ( 46789 calls) g_psi : 0.20s CPU 0.61s WALL ( 34945 calls) cdiaghg : 181.89s CPU 167.55s WALL ( 46225 calls) cegterg:over : 23.15s CPU 22.29s WALL ( 34945 calls) cegterg:upda : 1.56s CPU 6.49s WALL ( 34945 calls) cegterg:last : 1.42s CPU 3.38s WALL ( 12375 calls) Called by h_psi: h_psi:vloc : 699.93s CPU 717.74s WALL ( 46789 calls) h_psi:vnl : 24.39s CPU 31.36s WALL ( 46789 calls) add_vuspsi : 10.77s CPU 13.41s WALL ( 46789 calls) General routines calbec : 17.11s CPU 22.23s WALL ( 58069 calls) fft : 0.22s CPU 0.31s WALL ( 635 calls) ffts : 0.04s CPU 0.04s WALL ( 164 calls) fftw : 802.86s CPU 803.67s WALL ( 6475020 calls) interpolate : 0.09s CPU 0.10s WALL ( 164 calls) Parallel routines fft_scatter : 697.21s CPU 571.57s WALL ( 6475819 calls) PWSCF : 19m 3.70s CPU 19m25.48s WALL This run was terminated on: 13:13:45 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=