Program PWSCF v.5.1.1 starts on 12Oct2015 at 18:48: 6 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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 file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized 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 69 37 12 1850 719 129 Max 70 38 13 1852 743 131 Sum 3341 1805 577 88837 35167 6225 bravais-lattice index = 14 lattice parameter (alat) = 15.3412 a.u. unit-cell volume = 889.6376 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry convergence threshold = 1.0E-08 mixing beta = 0.3000 number of iterations used = 8 plain mixing Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.341155 celldm(2)= 1.000000 celldm(3)= 1.121309 celldm(4)= 0.877224 celldm(5)= 0.877224 celldm(6)= 0.839047 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.839047 0.544059 0.000000 ) a(3) = ( 0.983639 0.290997 0.452890 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.542198 -1.181000 ) b(2) = ( 0.000000 1.838035 -1.181000 ) b(3) = ( 0.000000 0.000000 2.208041 ) PseudoPot. # 1 for K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 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 PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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= 172 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 2) = ( 0.0000000 0.0000000 0.3154344), wk = 0.0058309 k( 3) = ( 0.0000000 0.0000000 0.6308689), wk = 0.0058309 k( 4) = ( 0.0000000 0.0000000 0.9463033), wk = 0.0058309 k( 5) = ( 0.0000000 0.2625765 -0.1687143), wk = 0.0058309 k( 6) = ( 0.0000000 0.2625765 0.1467201), wk = 0.0058309 k( 7) = ( 0.0000000 0.2625765 0.4621546), wk = 0.0058309 k( 8) = ( 0.0000000 0.2625765 0.7775890), wk = 0.0058309 k( 9) = ( 0.0000000 0.2625765 -1.1150177), wk = 0.0058309 k( 10) = ( 0.0000000 0.2625765 -0.7995832), wk = 0.0058309 k( 11) = ( 0.0000000 0.2625765 -0.4841488), wk = 0.0058309 k( 12) = ( 0.0000000 0.5251530 -0.3374286), wk = 0.0058309 k( 13) = ( 0.0000000 0.5251530 -0.0219942), wk = 0.0058309 k( 14) = ( 0.0000000 0.5251530 0.2934403), wk = 0.0058309 k( 15) = ( 0.0000000 0.5251530 0.6088747), wk = 0.0058309 k( 16) = ( 0.0000000 0.5251530 -1.2837320), wk = 0.0058309 k( 17) = ( 0.0000000 0.5251530 -0.9682975), wk = 0.0058309 k( 18) = ( 0.0000000 0.5251530 -0.6528631), wk = 0.0058309 k( 19) = ( 0.0000000 0.7877295 -0.5061429), wk = 0.0058309 k( 20) = ( 0.0000000 0.7877295 -0.1907085), wk = 0.0058309 k( 21) = ( 0.0000000 0.7877295 0.1247260), wk = 0.0058309 k( 22) = ( 0.0000000 0.7877295 0.4401604), wk = 0.0058309 k( 23) = ( 0.0000000 0.7877295 -1.4524463), wk = 0.0058309 k( 24) = ( 0.0000000 0.7877295 -1.1370118), wk = 0.0058309 k( 25) = ( 0.0000000 0.7877295 -0.8215774), wk = 0.0058309 k( 26) = ( 0.1428571 -0.2203140 -0.1687143), wk = 0.0058309 k( 27) = ( 0.1428571 -0.2203140 0.1467201), wk = 0.0058309 k( 28) = ( 0.1428571 -0.2203140 0.4621546), wk = 0.0058309 k( 29) = ( 0.1428571 -0.2203140 0.7775890), wk = 0.0058309 k( 30) = ( 0.1428571 -0.2203140 -1.1150177), wk = 0.0058309 k( 31) = ( 0.1428571 -0.2203140 -0.7995832), wk = 0.0058309 k( 32) = ( 0.1428571 -0.2203140 -0.4841488), wk = 0.0058309 k( 33) = ( 0.1428571 0.0422625 -0.3374286), wk = 0.0058309 k( 34) = ( 0.1428571 0.0422625 -0.0219942), wk = 0.0058309 k( 35) = ( 0.1428571 0.0422625 0.2934403), wk = 0.0058309 k( 36) = ( 0.1428571 0.0422625 0.6088747), wk = 0.0058309 k( 37) = ( 0.1428571 0.0422625 -1.2837320), wk = 0.0058309 k( 38) = ( 0.1428571 0.0422625 -0.9682975), wk = 0.0058309 k( 39) = ( 0.1428571 0.0422625 -0.6528631), wk = 0.0058309 k( 40) = ( 0.1428571 0.3048390 -0.5061429), wk = 0.0058309 k( 41) = ( 0.1428571 0.3048390 -0.1907085), wk = 0.0058309 k( 42) = ( 0.1428571 0.3048390 0.1247260), wk = 0.0058309 k( 43) = ( 0.1428571 0.3048390 0.4401604), wk = 0.0058309 k( 44) = ( 0.1428571 0.3048390 -1.4524463), wk = 0.0058309 k( 45) = ( 0.1428571 0.3048390 -1.1370118), wk = 0.0058309 k( 46) = ( 0.1428571 0.3048390 -0.8215774), wk = 0.0058309 k( 47) = ( 0.1428571 0.5674155 -0.6748572), wk = 0.0058309 k( 48) = ( 0.1428571 0.5674155 -0.3594228), wk = 0.0058309 k( 49) = ( 0.1428571 0.5674155 -0.0439883), wk = 0.0058309 k( 50) = ( 0.1428571 0.5674155 0.2714461), wk = 0.0058309 k( 51) = ( 0.1428571 0.5674155 -1.6211606), wk = 0.0058309 k( 52) = ( 0.1428571 0.5674155 -1.3057261), wk = 0.0058309 k( 53) = ( 0.1428571 0.5674155 -0.9902917), wk = 0.0058309 k( 54) = ( 0.1428571 -1.0080435 0.3374286), wk = 0.0058309 k( 55) = ( 0.1428571 -1.0080435 0.6528631), wk = 0.0058309 k( 56) = ( 0.1428571 -1.0080435 0.9682975), wk = 0.0058309 k( 57) = ( 0.1428571 -1.0080435 1.2837320), wk = 0.0058309 k( 58) = ( 0.1428571 -1.0080435 -0.6088747), wk = 0.0058309 k( 59) = ( 0.1428571 -1.0080435 -0.2934403), wk = 0.0058309 k( 60) = ( 0.1428571 -1.0080435 0.0219942), wk = 0.0058309 k( 61) = ( 0.1428571 -0.7454670 0.1687143), wk = 0.0058309 k( 62) = ( 0.1428571 -0.7454670 0.4841488), wk = 0.0058309 k( 63) = ( 0.1428571 -0.7454670 0.7995832), wk = 0.0058309 k( 64) = ( 0.1428571 -0.7454670 1.1150177), wk = 0.0058309 k( 65) = ( 0.1428571 -0.7454670 -0.7775890), wk = 0.0058309 k( 66) = ( 0.1428571 -0.7454670 -0.4621546), wk = 0.0058309 k( 67) = ( 0.1428571 -0.7454670 -0.1467201), wk = 0.0058309 k( 68) = ( 0.1428571 -0.4828905 0.0000000), wk = 0.0058309 k( 69) = ( 0.1428571 -0.4828905 0.3154344), wk = 0.0058309 k( 70) = ( 0.1428571 -0.4828905 0.6308689), wk = 0.0058309 k( 71) = ( 0.1428571 -0.4828905 0.9463033), wk = 0.0058309 k( 72) = ( 0.1428571 -0.4828905 -0.9463033), wk = 0.0058309 k( 73) = ( 0.1428571 -0.4828905 -0.6308689), wk = 0.0058309 k( 74) = ( 0.1428571 -0.4828905 -0.3154344), wk = 0.0058309 k( 75) = ( 0.2857143 -0.4406280 -0.3374286), wk = 0.0058309 k( 76) = ( 0.2857143 -0.4406280 -0.0219942), wk = 0.0058309 k( 77) = ( 0.2857143 -0.4406280 0.2934403), wk = 0.0058309 k( 78) = ( 0.2857143 -0.4406280 0.6088747), wk = 0.0058309 k( 79) = ( 0.2857143 -0.4406280 -1.2837320), wk = 0.0058309 k( 80) = ( 0.2857143 -0.4406280 -0.9682975), wk = 0.0058309 k( 81) = ( 0.2857143 -0.4406280 -0.6528631), wk = 0.0058309 k( 82) = ( 0.2857143 -0.1780515 -0.5061429), wk = 0.0058309 k( 83) = ( 0.2857143 -0.1780515 -0.1907085), wk = 0.0058309 k( 84) = ( 0.2857143 -0.1780515 0.1247260), wk = 0.0058309 k( 85) = ( 0.2857143 -0.1780515 0.4401604), wk = 0.0058309 k( 86) = ( 0.2857143 -0.1780515 -1.4524463), wk = 0.0058309 k( 87) = ( 0.2857143 -0.1780515 -1.1370118), wk = 0.0058309 k( 88) = ( 0.2857143 -0.1780515 -0.8215774), wk = 0.0058309 k( 89) = ( 0.2857143 0.0845250 -0.6748572), wk = 0.0058309 k( 90) = ( 0.2857143 0.0845250 -0.3594228), wk = 0.0058309 k( 91) = ( 0.2857143 0.0845250 -0.0439883), wk = 0.0058309 k( 92) = ( 0.2857143 0.0845250 0.2714461), wk = 0.0058309 k( 93) = ( 0.2857143 0.0845250 -1.6211606), wk = 0.0058309 k( 94) = ( 0.2857143 0.0845250 -1.3057261), wk = 0.0058309 k( 95) = ( 0.2857143 0.0845250 -0.9902917), wk = 0.0058309 k( 96) = ( 0.2857143 0.3471015 -0.8435716), wk = 0.0058309 k( 97) = ( 0.2857143 0.3471015 -0.5281371), wk = 0.0058309 k( 98) = ( 0.2857143 0.3471015 -0.2127027), wk = 0.0058309 k( 99) = ( 0.2857143 0.3471015 0.1027318), wk = 0.0058309 k( 100) = ( 0.2857143 0.3471015 -1.7898749), wk = 0.0058309 k( 101) = ( 0.2857143 0.3471015 -1.4744404), wk = 0.0058309 k( 102) = ( 0.2857143 0.3471015 -1.1590060), wk = 0.0058309 k( 103) = ( 0.2857143 -1.2283575 0.1687143), wk = 0.0058309 k( 104) = ( 0.2857143 -1.2283575 0.4841488), wk = 0.0058309 k( 105) = ( 0.2857143 -1.2283575 0.7995832), wk = 0.0058309 k( 106) = ( 0.2857143 -1.2283575 1.1150177), wk = 0.0058309 k( 107) = ( 0.2857143 -1.2283575 -0.7775890), wk = 0.0058309 k( 108) = ( 0.2857143 -1.2283575 -0.4621546), wk = 0.0058309 k( 109) = ( 0.2857143 -1.2283575 -0.1467201), wk = 0.0058309 k( 110) = ( 0.2857143 -0.9657810 0.0000000), wk = 0.0058309 k( 111) = ( 0.2857143 -0.9657810 0.3154344), wk = 0.0058309 k( 112) = ( 0.2857143 -0.9657810 0.6308689), wk = 0.0058309 k( 113) = ( 0.2857143 -0.9657810 0.9463033), wk = 0.0058309 k( 114) = ( 0.2857143 -0.9657810 -0.9463033), wk = 0.0058309 k( 115) = ( 0.2857143 -0.9657810 -0.6308689), wk = 0.0058309 k( 116) = ( 0.2857143 -0.9657810 -0.3154344), wk = 0.0058309 k( 117) = ( 0.2857143 -0.7032045 -0.1687143), wk = 0.0058309 k( 118) = ( 0.2857143 -0.7032045 0.1467201), wk = 0.0058309 k( 119) = ( 0.2857143 -0.7032045 0.4621546), wk = 0.0058309 k( 120) = ( 0.2857143 -0.7032045 0.7775890), wk = 0.0058309 k( 121) = ( 0.2857143 -0.7032045 -1.1150177), wk = 0.0058309 k( 122) = ( 0.2857143 -0.7032045 -0.7995832), wk = 0.0058309 k( 123) = ( 0.2857143 -0.7032045 -0.4841488), wk = 0.0058309 k( 124) = ( 0.4285714 -0.6609420 -0.5061429), wk = 0.0058309 k( 125) = ( 0.4285714 -0.6609420 -0.1907085), wk = 0.0058309 k( 126) = ( 0.4285714 -0.6609420 0.1247260), wk = 0.0058309 k( 127) = ( 0.4285714 -0.6609420 0.4401604), wk = 0.0058309 k( 128) = ( 0.4285714 -0.6609420 -1.4524463), wk = 0.0058309 k( 129) = ( 0.4285714 -0.6609420 -1.1370118), wk = 0.0058309 k( 130) = ( 0.4285714 -0.6609420 -0.8215774), wk = 0.0058309 k( 131) = ( 0.4285714 -0.3983655 -0.6748572), wk = 0.0058309 k( 132) = ( 0.4285714 -0.3983655 -0.3594228), wk = 0.0058309 k( 133) = ( 0.4285714 -0.3983655 -0.0439883), wk = 0.0058309 k( 134) = ( 0.4285714 -0.3983655 0.2714461), wk = 0.0058309 k( 135) = ( 0.4285714 -0.3983655 -1.6211606), wk = 0.0058309 k( 136) = ( 0.4285714 -0.3983655 -1.3057261), wk = 0.0058309 k( 137) = ( 0.4285714 -0.3983655 -0.9902917), wk = 0.0058309 k( 138) = ( 0.4285714 -0.1357890 -0.8435716), wk = 0.0058309 k( 139) = ( 0.4285714 -0.1357890 -0.5281371), wk = 0.0058309 k( 140) = ( 0.4285714 -0.1357890 -0.2127027), wk = 0.0058309 k( 141) = ( 0.4285714 -0.1357890 0.1027318), wk = 0.0058309 k( 142) = ( 0.4285714 -0.1357890 -1.7898749), wk = 0.0058309 k( 143) = ( 0.4285714 -0.1357890 -1.4744404), wk = 0.0058309 k( 144) = ( 0.4285714 -0.1357890 -1.1590060), wk = 0.0058309 k( 145) = ( 0.4285714 0.1267875 -1.0122859), wk = 0.0058309 k( 146) = ( 0.4285714 0.1267875 -0.6968514), wk = 0.0058309 k( 147) = ( 0.4285714 0.1267875 -0.3814170), wk = 0.0058309 k( 148) = ( 0.4285714 0.1267875 -0.0659825), wk = 0.0058309 k( 149) = ( 0.4285714 0.1267875 -1.9585892), wk = 0.0058309 k( 150) = ( 0.4285714 0.1267875 -1.6431548), wk = 0.0058309 k( 151) = ( 0.4285714 0.1267875 -1.3277203), wk = 0.0058309 k( 152) = ( 0.4285714 -1.4486715 0.0000000), wk = 0.0058309 k( 153) = ( 0.4285714 -1.4486715 0.3154344), wk = 0.0058309 k( 154) = ( 0.4285714 -1.4486715 0.6308689), wk = 0.0058309 k( 155) = ( 0.4285714 -1.4486715 0.9463033), wk = 0.0058309 k( 156) = ( 0.4285714 -1.4486715 -0.9463033), wk = 0.0058309 k( 157) = ( 0.4285714 -1.4486715 -0.6308689), wk = 0.0058309 k( 158) = ( 0.4285714 -1.4486715 -0.3154344), wk = 0.0058309 k( 159) = ( 0.4285714 -1.1860950 -0.1687143), wk = 0.0058309 k( 160) = ( 0.4285714 -1.1860950 0.1467201), wk = 0.0058309 k( 161) = ( 0.4285714 -1.1860950 0.4621546), wk = 0.0058309 k( 162) = ( 0.4285714 -1.1860950 0.7775890), wk = 0.0058309 k( 163) = ( 0.4285714 -1.1860950 -1.1150177), wk = 0.0058309 k( 164) = ( 0.4285714 -1.1860950 -0.7995832), wk = 0.0058309 k( 165) = ( 0.4285714 -1.1860950 -0.4841488), wk = 0.0058309 k( 166) = ( 0.4285714 -0.9235185 -0.3374286), wk = 0.0058309 k( 167) = ( 0.4285714 -0.9235185 -0.0219942), wk = 0.0058309 k( 168) = ( 0.4285714 -0.9235185 0.2934403), wk = 0.0058309 k( 169) = ( 0.4285714 -0.9235185 0.6088747), wk = 0.0058309 k( 170) = ( 0.4285714 -0.9235185 -1.2837320), wk = 0.0058309 k( 171) = ( 0.4285714 -0.9235185 -0.9682975), wk = 0.0058309 k( 172) = ( 0.4285714 -0.9235185 -0.6528631), wk = 0.0058309 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 2) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0058309 k( 3) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0058309 k( 4) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0058309 k( 5) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0058309 k( 6) = ( 0.0000000 0.1428571 0.1428571), wk = 0.0058309 k( 7) = ( 0.0000000 0.1428571 0.2857143), wk = 0.0058309 k( 8) = ( 0.0000000 0.1428571 0.4285714), wk = 0.0058309 k( 9) = ( 0.0000000 0.1428571 -0.4285714), wk = 0.0058309 k( 10) = ( 0.0000000 0.1428571 -0.2857143), wk = 0.0058309 k( 11) = ( 0.0000000 0.1428571 -0.1428571), wk = 0.0058309 k( 12) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0058309 k( 13) = ( 0.0000000 0.2857143 0.1428571), wk = 0.0058309 k( 14) = ( 0.0000000 0.2857143 0.2857143), wk = 0.0058309 k( 15) = ( 0.0000000 0.2857143 0.4285714), wk = 0.0058309 k( 16) = ( 0.0000000 0.2857143 -0.4285714), wk = 0.0058309 k( 17) = ( 0.0000000 0.2857143 -0.2857143), wk = 0.0058309 k( 18) = ( 0.0000000 0.2857143 -0.1428571), wk = 0.0058309 k( 19) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0058309 k( 20) = ( 0.0000000 0.4285714 0.1428571), wk = 0.0058309 k( 21) = ( 0.0000000 0.4285714 0.2857143), wk = 0.0058309 k( 22) = ( 0.0000000 0.4285714 0.4285714), wk = 0.0058309 k( 23) = ( 0.0000000 0.4285714 -0.4285714), wk = 0.0058309 k( 24) = ( 0.0000000 0.4285714 -0.2857143), wk = 0.0058309 k( 25) = ( 0.0000000 0.4285714 -0.1428571), wk = 0.0058309 k( 26) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0058309 k( 27) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0058309 k( 28) = ( 0.1428571 0.0000000 0.2857143), wk = 0.0058309 k( 29) = ( 0.1428571 0.0000000 0.4285714), wk = 0.0058309 k( 30) = ( 0.1428571 0.0000000 -0.4285714), wk = 0.0058309 k( 31) = ( 0.1428571 0.0000000 -0.2857143), wk = 0.0058309 k( 32) = ( 0.1428571 0.0000000 -0.1428571), wk = 0.0058309 k( 33) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0058309 k( 34) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0058309 k( 35) = ( 0.1428571 0.1428571 0.2857143), wk = 0.0058309 k( 36) = ( 0.1428571 0.1428571 0.4285714), wk = 0.0058309 k( 37) = ( 0.1428571 0.1428571 -0.4285714), wk = 0.0058309 k( 38) = ( 0.1428571 0.1428571 -0.2857143), wk = 0.0058309 k( 39) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0058309 k( 40) = ( 0.1428571 0.2857143 0.0000000), wk = 0.0058309 k( 41) = ( 0.1428571 0.2857143 0.1428571), wk = 0.0058309 k( 42) = ( 0.1428571 0.2857143 0.2857143), wk = 0.0058309 k( 43) = ( 0.1428571 0.2857143 0.4285714), wk = 0.0058309 k( 44) = ( 0.1428571 0.2857143 -0.4285714), wk = 0.0058309 k( 45) = ( 0.1428571 0.2857143 -0.2857143), wk = 0.0058309 k( 46) = ( 0.1428571 0.2857143 -0.1428571), wk = 0.0058309 k( 47) = ( 0.1428571 0.4285714 0.0000000), wk = 0.0058309 k( 48) = ( 0.1428571 0.4285714 0.1428571), wk = 0.0058309 k( 49) = ( 0.1428571 0.4285714 0.2857143), wk = 0.0058309 k( 50) = ( 0.1428571 0.4285714 0.4285714), wk = 0.0058309 k( 51) = ( 0.1428571 0.4285714 -0.4285714), wk = 0.0058309 k( 52) = ( 0.1428571 0.4285714 -0.2857143), wk = 0.0058309 k( 53) = ( 0.1428571 0.4285714 -0.1428571), wk = 0.0058309 k( 54) = ( 0.1428571 -0.4285714 0.0000000), wk = 0.0058309 k( 55) = ( 0.1428571 -0.4285714 0.1428571), wk = 0.0058309 k( 56) = ( 0.1428571 -0.4285714 0.2857143), wk = 0.0058309 k( 57) = ( 0.1428571 -0.4285714 0.4285714), wk = 0.0058309 k( 58) = ( 0.1428571 -0.4285714 -0.4285714), wk = 0.0058309 k( 59) = ( 0.1428571 -0.4285714 -0.2857143), wk = 0.0058309 k( 60) = ( 0.1428571 -0.4285714 -0.1428571), wk = 0.0058309 k( 61) = ( 0.1428571 -0.2857143 -0.0000000), wk = 0.0058309 k( 62) = ( 0.1428571 -0.2857143 0.1428571), wk = 0.0058309 k( 63) = ( 0.1428571 -0.2857143 0.2857143), wk = 0.0058309 k( 64) = ( 0.1428571 -0.2857143 0.4285714), wk = 0.0058309 k( 65) = ( 0.1428571 -0.2857143 -0.4285714), wk = 0.0058309 k( 66) = ( 0.1428571 -0.2857143 -0.2857143), wk = 0.0058309 k( 67) = ( 0.1428571 -0.2857143 -0.1428571), wk = 0.0058309 k( 68) = ( 0.1428571 -0.1428571 0.0000000), wk = 0.0058309 k( 69) = ( 0.1428571 -0.1428571 0.1428571), wk = 0.0058309 k( 70) = ( 0.1428571 -0.1428571 0.2857143), wk = 0.0058309 k( 71) = ( 0.1428571 -0.1428571 0.4285714), wk = 0.0058309 k( 72) = ( 0.1428571 -0.1428571 -0.4285714), wk = 0.0058309 k( 73) = ( 0.1428571 -0.1428571 -0.2857143), wk = 0.0058309 k( 74) = ( 0.1428571 -0.1428571 -0.1428571), wk = 0.0058309 k( 75) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0058309 k( 76) = ( 0.2857143 0.0000000 0.1428571), wk = 0.0058309 k( 77) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0058309 k( 78) = ( 0.2857143 0.0000000 0.4285714), wk = 0.0058309 k( 79) = ( 0.2857143 0.0000000 -0.4285714), wk = 0.0058309 k( 80) = ( 0.2857143 0.0000000 -0.2857143), wk = 0.0058309 k( 81) = ( 0.2857143 0.0000000 -0.1428571), wk = 0.0058309 k( 82) = ( 0.2857143 0.1428571 0.0000000), wk = 0.0058309 k( 83) = ( 0.2857143 0.1428571 0.1428571), wk = 0.0058309 k( 84) = ( 0.2857143 0.1428571 0.2857143), wk = 0.0058309 k( 85) = ( 0.2857143 0.1428571 0.4285714), wk = 0.0058309 k( 86) = ( 0.2857143 0.1428571 -0.4285714), wk = 0.0058309 k( 87) = ( 0.2857143 0.1428571 -0.2857143), wk = 0.0058309 k( 88) = ( 0.2857143 0.1428571 -0.1428571), wk = 0.0058309 k( 89) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0058309 k( 90) = ( 0.2857143 0.2857143 0.1428571), wk = 0.0058309 k( 91) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0058309 k( 92) = ( 0.2857143 0.2857143 0.4285714), wk = 0.0058309 k( 93) = ( 0.2857143 0.2857143 -0.4285714), wk = 0.0058309 k( 94) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0058309 k( 95) = ( 0.2857143 0.2857143 -0.1428571), wk = 0.0058309 k( 96) = ( 0.2857143 0.4285714 0.0000000), wk = 0.0058309 k( 97) = ( 0.2857143 0.4285714 0.1428571), wk = 0.0058309 k( 98) = ( 0.2857143 0.4285714 0.2857143), wk = 0.0058309 k( 99) = ( 0.2857143 0.4285714 0.4285714), wk = 0.0058309 k( 100) = ( 0.2857143 0.4285714 -0.4285714), wk = 0.0058309 k( 101) = ( 0.2857143 0.4285714 -0.2857143), wk = 0.0058309 k( 102) = ( 0.2857143 0.4285714 -0.1428571), wk = 0.0058309 k( 103) = ( 0.2857143 -0.4285714 0.0000000), wk = 0.0058309 k( 104) = ( 0.2857143 -0.4285714 0.1428571), wk = 0.0058309 k( 105) = ( 0.2857143 -0.4285714 0.2857143), wk = 0.0058309 k( 106) = ( 0.2857143 -0.4285714 0.4285714), wk = 0.0058309 k( 107) = ( 0.2857143 -0.4285714 -0.4285714), wk = 0.0058309 k( 108) = ( 0.2857143 -0.4285714 -0.2857143), wk = 0.0058309 k( 109) = ( 0.2857143 -0.4285714 -0.1428571), wk = 0.0058309 k( 110) = ( 0.2857143 -0.2857143 -0.0000000), wk = 0.0058309 k( 111) = ( 0.2857143 -0.2857143 0.1428571), wk = 0.0058309 k( 112) = ( 0.2857143 -0.2857143 0.2857143), wk = 0.0058309 k( 113) = ( 0.2857143 -0.2857143 0.4285714), wk = 0.0058309 k( 114) = ( 0.2857143 -0.2857143 -0.4285714), wk = 0.0058309 k( 115) = ( 0.2857143 -0.2857143 -0.2857143), wk = 0.0058309 k( 116) = ( 0.2857143 -0.2857143 -0.1428571), wk = 0.0058309 k( 117) = ( 0.2857143 -0.1428571 0.0000000), wk = 0.0058309 k( 118) = ( 0.2857143 -0.1428571 0.1428571), wk = 0.0058309 k( 119) = ( 0.2857143 -0.1428571 0.2857143), wk = 0.0058309 k( 120) = ( 0.2857143 -0.1428571 0.4285714), wk = 0.0058309 k( 121) = ( 0.2857143 -0.1428571 -0.4285714), wk = 0.0058309 k( 122) = ( 0.2857143 -0.1428571 -0.2857143), wk = 0.0058309 k( 123) = ( 0.2857143 -0.1428571 -0.1428571), wk = 0.0058309 k( 124) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0058309 k( 125) = ( 0.4285714 -0.0000000 0.1428571), wk = 0.0058309 k( 126) = ( 0.4285714 -0.0000000 0.2857143), wk = 0.0058309 k( 127) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0058309 k( 128) = ( 0.4285714 -0.0000000 -0.4285714), wk = 0.0058309 k( 129) = ( 0.4285714 -0.0000000 -0.2857143), wk = 0.0058309 k( 130) = ( 0.4285714 -0.0000000 -0.1428571), wk = 0.0058309 k( 131) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0058309 k( 132) = ( 0.4285714 0.1428571 0.1428571), wk = 0.0058309 k( 133) = ( 0.4285714 0.1428571 0.2857143), wk = 0.0058309 k( 134) = ( 0.4285714 0.1428571 0.4285714), wk = 0.0058309 k( 135) = ( 0.4285714 0.1428571 -0.4285714), wk = 0.0058309 k( 136) = ( 0.4285714 0.1428571 -0.2857143), wk = 0.0058309 k( 137) = ( 0.4285714 0.1428571 -0.1428571), wk = 0.0058309 k( 138) = ( 0.4285714 0.2857143 0.0000000), wk = 0.0058309 k( 139) = ( 0.4285714 0.2857143 0.1428571), wk = 0.0058309 k( 140) = ( 0.4285714 0.2857143 0.2857143), wk = 0.0058309 k( 141) = ( 0.4285714 0.2857143 0.4285714), wk = 0.0058309 k( 142) = ( 0.4285714 0.2857143 -0.4285714), wk = 0.0058309 k( 143) = ( 0.4285714 0.2857143 -0.2857143), wk = 0.0058309 k( 144) = ( 0.4285714 0.2857143 -0.1428571), wk = 0.0058309 k( 145) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0058309 k( 146) = ( 0.4285714 0.4285714 0.1428571), wk = 0.0058309 k( 147) = ( 0.4285714 0.4285714 0.2857143), wk = 0.0058309 k( 148) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0058309 k( 149) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0058309 k( 150) = ( 0.4285714 0.4285714 -0.2857143), wk = 0.0058309 k( 151) = ( 0.4285714 0.4285714 -0.1428571), wk = 0.0058309 k( 152) = ( 0.4285714 -0.4285714 0.0000000), wk = 0.0058309 k( 153) = ( 0.4285714 -0.4285714 0.1428571), wk = 0.0058309 k( 154) = ( 0.4285714 -0.4285714 0.2857143), wk = 0.0058309 k( 155) = ( 0.4285714 -0.4285714 0.4285714), wk = 0.0058309 k( 156) = ( 0.4285714 -0.4285714 -0.4285714), wk = 0.0058309 k( 157) = ( 0.4285714 -0.4285714 -0.2857143), wk = 0.0058309 k( 158) = ( 0.4285714 -0.4285714 -0.1428571), wk = 0.0058309 k( 159) = ( 0.4285714 -0.2857143 -0.0000000), wk = 0.0058309 k( 160) = ( 0.4285714 -0.2857143 0.1428571), wk = 0.0058309 k( 161) = ( 0.4285714 -0.2857143 0.2857143), wk = 0.0058309 k( 162) = ( 0.4285714 -0.2857143 0.4285714), wk = 0.0058309 k( 163) = ( 0.4285714 -0.2857143 -0.4285714), wk = 0.0058309 k( 164) = ( 0.4285714 -0.2857143 -0.2857143), wk = 0.0058309 k( 165) = ( 0.4285714 -0.2857143 -0.1428571), wk = 0.0058309 k( 166) = ( 0.4285714 -0.1428571 0.0000000), wk = 0.0058309 k( 167) = ( 0.4285714 -0.1428571 0.1428571), wk = 0.0058309 k( 168) = ( 0.4285714 -0.1428571 0.2857143), wk = 0.0058309 k( 169) = ( 0.4285714 -0.1428571 0.4285714), wk = 0.0058309 k( 170) = ( 0.4285714 -0.1428571 -0.4285714), wk = 0.0058309 k( 171) = ( 0.4285714 -0.1428571 -0.2857143), wk = 0.0058309 k( 172) = ( 0.4285714 -0.1428571 -0.1428571), wk = 0.0058309 Dense grid: 88837 G-vectors FFT dimensions: ( 90, 90, 100) Smooth grid: 35167 G-vectors FFT dimensions: ( 72, 72, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 186, 44) NL pseudopotentials 0.18 Mb ( 93, 124) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.01 Mb ( 1851) G-vector shells 0.01 Mb ( 1821) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 186, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.17 Mb ( 124, 2, 44) Arrays for rho mixing 2.97 Mb ( 24300, 8) Check: negative/imaginary core charge= -0.000006 0.000000 Initial potential from superposition of free atoms starting charge 35.96224, renormalised to 36.00000 Starting wfc are 64 randomized atomic wfcs total cpu time spent up to now is 66.6 secs per-process dynamical memory: 76.2 Mb Self-consistent Calculation iteration # 1 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 2.1 total cpu time spent up to now is 149.3 secs total energy = -183.38839109 Ry Harris-Foulkes estimate = -183.77756110 Ry estimated scf accuracy < 0.97392845 Ry iteration # 2 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 2.71E-03, avg # of iterations = 2.0 total cpu time spent up to now is 226.2 secs total energy = -183.38672859 Ry Harris-Foulkes estimate = -183.46899885 Ry estimated scf accuracy < 0.18225511 Ry iteration # 3 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.06E-04, avg # of iterations = 3.0 total cpu time spent up to now is 317.6 secs total energy = -183.40861372 Ry Harris-Foulkes estimate = -183.41142461 Ry estimated scf accuracy < 0.01855096 Ry iteration # 4 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 5.15E-05, avg # of iterations = 1.6 total cpu time spent up to now is 390.7 secs total energy = -183.40937471 Ry Harris-Foulkes estimate = -183.40962677 Ry estimated scf accuracy < 0.00598768 Ry iteration # 5 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.66E-05, avg # of iterations = 2.2 total cpu time spent up to now is 464.9 secs total energy = -183.40969555 Ry Harris-Foulkes estimate = -183.40966757 Ry estimated scf accuracy < 0.00007124 Ry iteration # 6 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.98E-07, avg # of iterations = 3.2 total cpu time spent up to now is 552.5 secs total energy = -183.40973596 Ry Harris-Foulkes estimate = -183.40972826 Ry estimated scf accuracy < 0.00001591 Ry iteration # 7 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 4.42E-08, avg # of iterations = 2.0 total cpu time spent up to now is 626.4 secs total energy = -183.40974007 Ry Harris-Foulkes estimate = -183.40974006 Ry estimated scf accuracy < 0.00000427 Ry iteration # 8 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.19E-08, avg # of iterations = 2.0 total cpu time spent up to now is 695.3 secs total energy = -183.40974126 Ry Harris-Foulkes estimate = -183.40974061 Ry estimated scf accuracy < 0.00000055 Ry iteration # 9 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.52E-09, avg # of iterations = 2.0 total cpu time spent up to now is 769.4 secs total energy = -183.40974162 Ry Harris-Foulkes estimate = -183.40974143 Ry estimated scf accuracy < 0.00000005 Ry iteration # 10 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 1.45E-10, avg # of iterations = 2.0 total cpu time spent up to now is 835.6 secs total energy = -183.40974172 Ry Harris-Foulkes estimate = -183.40974162 Ry estimated scf accuracy < 0.00000003 Ry iteration # 11 ecut= 44.00 Ry beta=0.30 Davidson diagonalization with overlap ethr = 8.67E-11, avg # of iterations = 2.0 total cpu time spent up to now is 909.2 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 4375 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3442 -15.3442 -15.3305 -15.3305 -10.6000 -10.6000 -10.5871 -10.5871 -10.3546 -10.3546 -10.3376 -10.3376 -10.3007 -10.3007 -10.2972 -10.2972 -3.2672 -3.2672 -2.8242 -2.8242 -1.4365 -1.4365 -1.3608 -1.3608 -1.3400 -1.3400 -1.1941 -1.1941 -0.8175 -0.8175 0.0349 0.0349 6.0547 6.0547 6.1382 6.1382 6.4552 6.4552 6.9660 6.9660 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.3154 ( 4394 PWs) bands (ev): -26.9262 -26.9262 -26.9193 -26.9193 -15.3387 -15.3383 -15.3322 -15.3319 -10.6265 -10.6127 -10.5889 -10.5869 -10.3872 -10.3589 -10.3424 -10.3386 -10.3172 -10.3143 -10.3070 -10.2977 -3.2084 -3.2076 -2.8597 -2.8593 -1.4496 -1.4481 -1.4144 -1.4108 -1.3758 -1.3754 -1.3335 -1.3300 -0.5888 -0.5885 0.0369 0.0389 6.0259 6.0260 6.1348 6.1351 6.5860 6.5865 6.8457 6.8458 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 1.0000 1.0000 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 0.6309 ( 4363 PWs) bands (ev): -26.9211 -26.9211 -26.9164 -26.9164 -15.3331 -15.3328 -15.3283 -15.3278 -10.6589 -10.6387 -10.6101 -10.6026 -10.4205 -10.3907 -10.3680 -10.3602 -10.3322 -10.3296 -10.3240 -10.3176 -3.0950 -3.0939 -2.9270 -2.9264 -1.6260 -1.6254 -1.5097 -1.5080 -1.3892 -1.3890 -1.3481 -1.3477 -0.2919 -0.2911 0.0391 0.0418 5.9434 5.9436 6.1001 6.1013 6.6841 6.6859 6.8786 6.8797 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 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 0.9463 ( 4383 PWs) bands (ev): -26.9164 -26.9164 -26.9147 -26.9147 -15.3290 -15.3289 -15.3246 -15.3244 -10.6622 -10.6517 -10.6380 -10.6344 -10.4235 -10.4116 -10.3990 -10.3942 -10.3419 -10.3411 -10.3377 -10.3369 -3.0157 -3.0148 -2.9743 -2.9737 -1.6933 -1.6929 -1.6210 -1.6202 -1.3786 -1.3785 -1.3630 -1.3629 -0.0834 -0.0820 0.0160 0.0183 5.9005 5.9008 5.9795 5.9807 6.8210 6.8235 7.0305 7.0325 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2626-0.1687 ( 4386 PWs) bands (ev): -26.9265 -26.9265 -26.9197 -26.9197 -15.3393 -15.3390 -15.3319 -15.3317 -10.6235 -10.6061 -10.5918 -10.5858 -10.3811 -10.3570 -10.3429 -10.3360 -10.3224 -10.3158 -10.3020 -10.2966 -3.2292 -3.2282 -2.8695 -2.8691 -1.5529 -1.5520 -1.3865 -1.3842 -1.3456 -1.3431 -1.2544 -1.2531 -0.5758 -0.5753 0.0460 0.0477 6.0675 6.0693 6.2770 6.2786 6.5597 6.5606 6.9161 6.9182 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2626 0.1467 ( 4388 PWs) bands (ev): -26.9267 -26.9267 -26.9196 -26.9196 -15.3398 -15.3395 -15.3314 -15.3312 -10.6228 -10.6066 -10.5924 -10.5860 -10.3819 -10.3565 -10.3425 -10.3363 -10.3212 -10.3160 -10.3017 -10.2970 -3.2349 -3.2340 -2.8621 -2.8618 -1.5503 -1.5495 -1.3864 -1.3845 -1.3590 -1.3568 -1.2388 -1.2381 -0.5894 -0.5890 0.0535 0.0552 6.1325 6.1351 6.2678 6.2702 6.5003 6.5014 6.8923 6.8946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2626 0.4622 ( 4378 PWs) bands (ev): -26.9232 -26.9232 -26.9173 -26.9173 -15.3354 -15.3350 -15.3290 -15.3286 -10.6499 -10.6297 -10.6020 -10.5939 -10.4143 -10.3834 -10.3571 -10.3462 -10.3337 -10.3227 -10.3181 -10.3093 -3.1456 -3.1445 -2.9172 -2.9168 -1.6170 -1.6161 -1.4441 -1.4427 -1.3899 -1.3885 -1.3302 -1.3294 -0.3510 -0.3497 0.0576 0.0601 6.0883 6.0906 6.2475 6.2483 6.6296 6.6313 6.8087 6.8107 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2626 0.7776 ( 4373 PWs) bands (ev): -26.9185 -26.9185 -26.9149 -26.9149 -15.3337 -15.3334 -15.3220 -15.3216 -10.6704 -10.6531 -10.6238 -10.6140 -10.4339 -10.4150 -10.3802 -10.3719 -10.3441 -10.3361 -10.3342 -10.3304 -3.0470 -3.0459 -2.9816 -2.9809 -1.6960 -1.6950 -1.5223 -1.5210 -1.4102 -1.4094 -1.3692 -1.3682 -0.1227 -0.1204 0.0476 0.0505 6.0388 6.0408 6.1547 6.1559 6.7126 6.7149 6.9856 6.9875 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2626-1.1150 ( 4374 PWs) bands (ev): -26.9154 -26.9154 -26.9148 -26.9148 -15.3281 -15.3279 -15.3236 -15.3234 -10.6603 -10.6567 -10.6409 -10.6387 -10.4213 -10.4191 -10.4022 -10.4017 -10.3487 -10.3453 -10.3419 -10.3403 -3.0212 -3.0204 -2.9942 -2.9935 -1.6737 -1.6726 -1.6163 -1.6151 -1.3990 -1.3985 -1.3880 -1.3867 -0.0036 -0.0008 0.0094 0.0121 5.9108 5.9116 6.2160 6.2171 6.9315 6.9333 6.9452 6.9461 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2626-0.7996 ( 4374 PWs) bands (ev): -26.9179 -26.9179 -26.9154 -26.9154 -15.3316 -15.3314 -15.3242 -15.3237 -10.6622 -10.6489 -10.6284 -10.6193 -10.4259 -10.4091 -10.3870 -10.3769 -10.3441 -10.3406 -10.3347 -10.3302 -3.0634 -3.0624 -2.9689 -2.9683 -1.6637 -1.6628 -1.5603 -1.5590 -1.3904 -1.3890 -1.3703 -1.3673 -0.1331 -0.1307 0.0474 0.0501 5.8739 5.8748 6.3063 6.3075 6.6928 6.6948 7.0342 7.0359 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.2626-0.4841 ( 4385 PWs) bands (ev): -26.9228 -26.9228 -26.9177 -26.9177 -15.3358 -15.3354 -15.3287 -15.3283 -10.6481 -10.6294 -10.6024 -10.5946 -10.4117 -10.3814 -10.3596 -10.3461 -10.3345 -10.3243 -10.3191 -10.3091 -3.1429 -3.1418 -2.9251 -2.9246 -1.6127 -1.6119 -1.4568 -1.4558 -1.3633 -1.3618 -1.3359 -1.3351 -0.3449 -0.3436 0.0447 0.0473 5.9398 5.9411 6.2954 6.2958 6.7296 6.7303 6.8327 6.8335 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5252-0.3374 ( 4382 PWs) bands (ev): -26.9225 -26.9225 -26.9178 -26.9178 -15.3379 -15.3375 -15.3247 -15.3244 -10.6538 -10.6318 -10.6038 -10.5939 -10.4153 -10.3860 -10.3595 -10.3548 -10.3458 -10.3349 -10.3119 -10.3062 -3.1652 -3.1640 -2.9664 -2.9661 -1.6704 -1.6695 -1.4423 -1.4407 -1.3505 -1.3487 -1.3028 -1.3021 -0.2361 -0.2353 0.0591 0.0613 5.9822 5.9833 6.5849 6.5862 6.8170 6.8176 6.9447 6.9464 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5252-0.0220 ( 4382 PWs) bands (ev): -26.9241 -26.9241 -26.9183 -26.9183 -15.3337 -15.3334 -15.3315 -15.3310 -10.6425 -10.6228 -10.6000 -10.5925 -10.3993 -10.3725 -10.3544 -10.3489 -10.3432 -10.3285 -10.3104 -10.3073 -3.2083 -3.2070 -2.9307 -2.9301 -1.6428 -1.6417 -1.3995 -1.3982 -1.3837 -1.3829 -1.2707 -1.2695 -0.3305 -0.3287 0.0781 0.0805 6.2431 6.2448 6.4640 6.4661 6.7021 6.7029 6.9267 6.9301 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5252 0.2934 ( 4385 PWs) bands (ev): -26.9230 -26.9230 -26.9173 -26.9173 -15.3354 -15.3350 -15.3272 -15.3270 -10.6482 -10.6301 -10.6089 -10.5978 -10.4122 -10.3847 -10.3575 -10.3480 -10.3440 -10.3381 -10.3175 -10.3110 -3.1777 -3.1766 -2.9501 -2.9499 -1.6554 -1.6548 -1.4544 -1.4534 -1.3773 -1.3767 -1.2815 -1.2812 -0.2645 -0.2637 0.0882 0.0905 6.2256 6.2280 6.4414 6.4433 6.6603 6.6632 6.9152 6.9192 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5252 0.6089 ( 4385 PWs) bands (ev): -26.9199 -26.9199 -26.9154 -26.9154 -15.3354 -15.3352 -15.3212 -15.3208 -10.6640 -10.6498 -10.6194 -10.6101 -10.4301 -10.4156 -10.3709 -10.3592 -10.3514 -10.3391 -10.3317 -10.3279 -3.0945 -3.0934 -3.0116 -3.0110 -1.6781 -1.6769 -1.4831 -1.4824 -1.4204 -1.4184 -1.3414 -1.3404 -0.1005 -0.0982 0.0796 0.0821 6.1684 6.1708 6.4087 6.4093 6.7658 6.7706 6.9901 6.9941 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5252-1.2837 ( 4382 PWs) bands (ev): -26.9169 -26.9169 -26.9145 -26.9145 -15.3310 -15.3307 -15.3208 -15.3203 -10.6704 -10.6597 -10.6313 -10.6251 -10.4305 -10.4258 -10.3877 -10.3826 -10.3584 -10.3539 -10.3444 -10.3379 -3.0625 -3.0609 -3.0261 -3.0251 -1.6571 -1.6556 -1.4953 -1.4935 -1.4667 -1.4639 -1.4130 -1.4115 0.0258 0.0293 0.0561 0.0596 6.2200 6.2218 6.3802 6.3825 6.9308 6.9349 7.0191 7.0220 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5252-0.9683 ( 4386 PWs) bands (ev): -26.9161 -26.9161 -26.9153 -26.9153 -15.3296 -15.3294 -15.3222 -15.3217 -10.6650 -10.6561 -10.6358 -10.6271 -10.4222 -10.4177 -10.4015 -10.3889 -10.3591 -10.3520 -10.3433 -10.3392 -3.0806 -3.0794 -3.0090 -3.0080 -1.6302 -1.6286 -1.5521 -1.5497 -1.4335 -1.4315 -1.4081 -1.4043 0.0002 0.0039 0.0722 0.0756 6.0466 6.0482 6.6141 6.6159 6.8087 6.8103 7.0952 7.0958 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5252-0.6529 ( 4391 PWs) bands (ev): -26.9190 -26.9190 -26.9163 -26.9163 -15.3374 -15.3372 -15.3192 -15.3188 -10.6651 -10.6506 -10.6181 -10.6073 -10.4297 -10.4131 -10.3759 -10.3675 -10.3507 -10.3399 -10.3269 -10.3244 -3.1091 -3.1084 -3.0026 -3.0021 -1.6808 -1.6796 -1.4937 -1.4931 -1.3900 -1.3892 -1.3355 -1.3335 -0.1008 -0.0986 0.0615 0.0639 5.9030 5.9043 6.5907 6.5914 6.8268 6.8281 7.0512 7.0523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.7877-0.5061 ( 4391 PWs) bands (ev): -26.9189 -26.9189 -26.9166 -26.9166 -15.3409 -15.3407 -15.3146 -15.3144 -10.6697 -10.6601 -10.6113 -10.6057 -10.4330 -10.4208 -10.3768 -10.3727 -10.3536 -10.3486 -10.3175 -10.3158 -3.1392 -3.1389 -3.0385 -3.0383 -1.6819 -1.6814 -1.4888 -1.4882 -1.3774 -1.3768 -1.2953 -1.2952 -0.0460 -0.0457 0.0652 0.0662 5.8508 5.8512 6.8193 6.8213 6.9142 6.9171 7.2099 7.2108 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.7877-0.1907 ( 4379 PWs) bands (ev): -26.9202 -26.9202 -26.9167 -26.9167 -15.3355 -15.3351 -15.3218 -15.3214 -10.6633 -10.6463 -10.6142 -10.6029 -10.4202 -10.3973 -10.3818 -10.3703 -10.3583 -10.3431 -10.3232 -10.3184 -3.1662 -3.1649 -3.0075 -3.0067 -1.6466 -1.6456 -1.4503 -1.4492 -1.3927 -1.3919 -1.3491 -1.3471 -0.0876 -0.0850 0.0828 0.0855 6.1243 6.1257 6.6613 6.6624 6.9585 6.9633 7.1385 7.1410 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.7877 0.1247 ( 4383 PWs) bands (ev): -26.9206 -26.9206 -26.9163 -26.9163 -15.3318 -15.3313 -15.3256 -15.3252 -10.6577 -10.6425 -10.6183 -10.6090 -10.4170 -10.3938 -10.3725 -10.3698 -10.3586 -10.3486 -10.3274 -10.3246 -3.1718 -3.1705 -2.9974 -2.9967 -1.6248 -1.6236 -1.4962 -1.4955 -1.4032 -1.4019 -1.3257 -1.3242 -0.0990 -0.0963 0.1036 0.1064 6.3454 6.3476 6.5072 6.5094 6.8494 6.8548 7.0775 7.0803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.7877 0.4402 ( 4397 PWs) bands (ev): -26.9199 -26.9199 -26.9156 -26.9156 -15.3344 -15.3341 -15.3212 -15.3211 -10.6539 -10.6475 -10.6260 -10.6187 -10.4197 -10.4093 -10.3801 -10.3713 -10.3505 -10.3487 -10.3322 -10.3292 -3.1224 -3.1217 -3.0415 -3.0412 -1.6451 -1.6448 -1.5500 -1.5496 -1.3873 -1.3872 -1.3046 -1.3046 -0.0356 -0.0345 0.0893 0.0909 6.1494 6.1501 6.5953 6.5964 6.8095 6.8103 7.1381 7.1396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.7877-1.4524 ( 4398 PWs) bands (ev): -26.9187 -26.9187 -26.9150 -26.9150 -15.3327 -15.3325 -15.3207 -15.3204 -10.6624 -10.6524 -10.6260 -10.6240 -10.4235 -10.4184 -10.3767 -10.3749 -10.3641 -10.3561 -10.3381 -10.3329 -3.1082 -3.1070 -3.0478 -3.0470 -1.6187 -1.6170 -1.5552 -1.5549 -1.4158 -1.4140 -1.3508 -1.3497 0.0237 0.0263 0.0764 0.0790 6.2240 6.2257 6.5941 6.5957 6.8295 6.8350 7.1909 7.1937 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.7877-1.1370 ( 4393 PWs) bands (ev): -26.9177 -26.9177 -26.9153 -26.9153 -15.3286 -15.3282 -15.3238 -15.3234 -10.6660 -10.6558 -10.6277 -10.6206 -10.4190 -10.4097 -10.3942 -10.3826 -10.3707 -10.3557 -10.3413 -10.3349 -3.1303 -3.1288 -3.0217 -3.0206 -1.5835 -1.5822 -1.5124 -1.5104 -1.4434 -1.4423 -1.4217 -1.4185 0.0165 0.0202 0.0932 0.0970 6.3176 6.3197 6.5635 6.5648 6.9225 6.9264 7.2334 7.2354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.7877-0.8216 ( 4394 PWs) bands (ev): -26.9177 -26.9177 -26.9161 -26.9161 -15.3374 -15.3371 -15.3160 -15.3157 -10.6688 -10.6624 -10.6211 -10.6120 -10.4277 -10.4227 -10.3892 -10.3781 -10.3581 -10.3525 -10.3293 -10.3267 -3.1286 -3.1277 -3.0370 -3.0362 -1.6556 -1.6545 -1.4930 -1.4918 -1.4059 -1.4053 -1.3521 -1.3499 -0.0091 -0.0065 0.0798 0.0824 5.9619 5.9634 6.8011 6.8026 6.8982 6.9022 7.2618 7.2627 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.2203-0.1687 ( 4386 PWs) bands (ev): -26.9265 -26.9265 -26.9197 -26.9197 -15.3393 -15.3390 -15.3319 -15.3317 -10.6235 -10.6061 -10.5918 -10.5858 -10.3811 -10.3570 -10.3429 -10.3360 -10.3224 -10.3158 -10.3020 -10.2966 -3.2292 -3.2282 -2.8695 -2.8691 -1.5529 -1.5520 -1.3865 -1.3842 -1.3456 -1.3431 -1.2544 -1.2531 -0.5758 -0.5753 0.0460 0.0477 6.0675 6.0693 6.2770 6.2786 6.5597 6.5606 6.9161 6.9182 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.2203 0.1467 ( 4388 PWs) bands (ev): -26.9267 -26.9267 -26.9196 -26.9196 -15.3398 -15.3395 -15.3314 -15.3312 -10.6228 -10.6066 -10.5924 -10.5859 -10.3819 -10.3565 -10.3425 -10.3363 -10.3212 -10.3160 -10.3017 -10.2970 -3.2349 -3.2340 -2.8621 -2.8618 -1.5503 -1.5495 -1.3864 -1.3845 -1.3590 -1.3568 -1.2388 -1.2381 -0.5894 -0.5890 0.0535 0.0552 6.1325 6.1351 6.2678 6.2702 6.5003 6.5014 6.8923 6.8946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.2203 0.4622 ( 4378 PWs) bands (ev): -26.9232 -26.9232 -26.9173 -26.9173 -15.3354 -15.3350 -15.3290 -15.3286 -10.6499 -10.6297 -10.6020 -10.5939 -10.4143 -10.3834 -10.3571 -10.3462 -10.3337 -10.3227 -10.3181 -10.3093 -3.1456 -3.1445 -2.9172 -2.9168 -1.6170 -1.6161 -1.4441 -1.4427 -1.3899 -1.3885 -1.3302 -1.3294 -0.3510 -0.3497 0.0576 0.0601 6.0883 6.0906 6.2475 6.2483 6.6296 6.6313 6.8087 6.8107 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.2203 0.7776 ( 4373 PWs) bands (ev): -26.9185 -26.9185 -26.9149 -26.9149 -15.3337 -15.3334 -15.3220 -15.3216 -10.6704 -10.6531 -10.6238 -10.6141 -10.4339 -10.4150 -10.3802 -10.3719 -10.3441 -10.3361 -10.3342 -10.3304 -3.0470 -3.0459 -2.9816 -2.9809 -1.6960 -1.6950 -1.5223 -1.5210 -1.4102 -1.4094 -1.3692 -1.3682 -0.1227 -0.1204 0.0476 0.0505 6.0388 6.0408 6.1547 6.1559 6.7126 6.7149 6.9856 6.9875 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.2203-1.1150 ( 4374 PWs) bands (ev): -26.9154 -26.9154 -26.9148 -26.9148 -15.3281 -15.3279 -15.3236 -15.3234 -10.6603 -10.6567 -10.6409 -10.6387 -10.4213 -10.4191 -10.4022 -10.4017 -10.3487 -10.3453 -10.3419 -10.3403 -3.0212 -3.0204 -2.9942 -2.9935 -1.6737 -1.6726 -1.6163 -1.6151 -1.3990 -1.3985 -1.3880 -1.3867 -0.0036 -0.0008 0.0094 0.0121 5.9108 5.9116 6.2160 6.2171 6.9315 6.9333 6.9452 6.9461 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.2203-0.7996 ( 4374 PWs) bands (ev): -26.9179 -26.9179 -26.9154 -26.9154 -15.3316 -15.3314 -15.3242 -15.3237 -10.6622 -10.6489 -10.6284 -10.6193 -10.4259 -10.4091 -10.3870 -10.3769 -10.3441 -10.3406 -10.3347 -10.3302 -3.0634 -3.0624 -2.9689 -2.9683 -1.6637 -1.6628 -1.5603 -1.5590 -1.3904 -1.3890 -1.3703 -1.3673 -0.1331 -0.1307 0.0474 0.0501 5.8739 5.8748 6.3063 6.3075 6.6928 6.6948 7.0342 7.0359 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.2203-0.4841 ( 4385 PWs) bands (ev): -26.9228 -26.9228 -26.9177 -26.9177 -15.3358 -15.3354 -15.3287 -15.3283 -10.6481 -10.6294 -10.6024 -10.5946 -10.4117 -10.3814 -10.3596 -10.3461 -10.3345 -10.3243 -10.3191 -10.3091 -3.1429 -3.1418 -2.9251 -2.9246 -1.6127 -1.6119 -1.4568 -1.4558 -1.3633 -1.3618 -1.3359 -1.3351 -0.3449 -0.3436 0.0447 0.0473 5.9398 5.9411 6.2954 6.2958 6.7296 6.7303 6.8327 6.8335 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.0423-0.3374 ( 4380 PWs) bands (ev): -26.9255 -26.9255 -26.9199 -26.9199 -15.3381 -15.3377 -15.3328 -15.3325 -10.6234 -10.6135 -10.5894 -10.5879 -10.3829 -10.3608 -10.3440 -10.3364 -10.3181 -10.3166 -10.3061 -10.2990 -3.1875 -3.1866 -2.8907 -2.8902 -1.4649 -1.4638 -1.4308 -1.4282 -1.3475 -1.3474 -1.3264 -1.3234 -0.5434 -0.5434 0.0009 0.0029 5.8945 5.8948 6.1864 6.1865 6.6634 6.6637 6.8480 6.8483 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.0423-0.0220 ( 4393 PWs) bands (ev): -26.9280 -26.9280 -26.9210 -26.9210 -15.3436 -15.3436 -15.3312 -15.3312 -10.5997 -10.5989 -10.5881 -10.5875 -10.3559 -10.3520 -10.3405 -10.3368 -10.3020 -10.2988 -10.2988 -10.2957 -3.2479 -3.2478 -2.8490 -2.8488 -1.4401 -1.4399 -1.3742 -1.3741 -1.3541 -1.3539 -1.2037 -1.2035 -0.7424 -0.7422 0.0068 0.0069 6.0607 6.0608 6.1310 6.1311 6.4709 6.4711 6.9347 6.9349 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.0423 0.2934 ( 4399 PWs) bands (ev): -26.9261 -26.9261 -26.9193 -26.9193 -15.3386 -15.3383 -15.3323 -15.3320 -10.6269 -10.6115 -10.5894 -10.5869 -10.3880 -10.3580 -10.3427 -10.3419 -10.3181 -10.3113 -10.3063 -10.2972 -3.1993 -3.1986 -2.8683 -2.8681 -1.4523 -1.4505 -1.4366 -1.4350 -1.3992 -1.3987 -1.2980 -1.2966 -0.5591 -0.5589 0.0223 0.0242 6.0475 6.0479 6.1783 6.1788 6.5143 6.5154 6.8223 6.8226 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.0423 0.6089 ( 4384 PWs) bands (ev): -26.9213 -26.9213 -26.9161 -26.9161 -15.3349 -15.3345 -15.3266 -15.3261 -10.6640 -10.6398 -10.6080 -10.5984 -10.4254 -10.3935 -10.3645 -10.3602 -10.3363 -10.3248 -10.3195 -10.3186 -3.0803 -3.0793 -2.9374 -2.9369 -1.6549 -1.6542 -1.4810 -1.4790 -1.4157 -1.4152 -1.3376 -1.3374 -0.2693 -0.2685 0.0277 0.0304 5.8748 5.8760 6.2268 6.2270 6.7207 6.7225 6.7859 6.7871 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.0423-1.2837 ( 4392 PWs) bands (ev): -26.9169 -26.9169 -26.9143 -26.9143 -15.3337 -15.3336 -15.3199 -15.3196 -10.6746 -10.6615 -10.6284 -10.6232 -10.4343 -10.4202 -10.3892 -10.3836 -10.3461 -10.3441 -10.3341 -10.3325 -2.9988 -2.9982 -2.9902 -2.9894 -1.7451 -1.7446 -1.5682 -1.5673 -1.3921 -1.3920 -1.3516 -1.3515 -0.0661 -0.0648 -0.0015 0.0007 5.6788 5.6797 6.2411 6.2416 6.8311 6.8334 7.0040 7.0059 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.0423-0.9683 ( 4382 PWs) bands (ev): -26.9157 -26.9157 -26.9154 -26.9154 -15.3298 -15.3296 -15.3239 -15.3237 -10.6562 -10.6508 -10.6435 -10.6335 -10.4145 -10.4105 -10.4037 -10.3963 -10.3490 -10.3453 -10.3358 -10.3332 -3.0389 -3.0382 -2.9560 -2.9555 -1.6767 -1.6761 -1.6326 -1.6324 -1.3682 -1.3681 -1.3592 -1.3592 -0.0990 -0.0978 0.0168 0.0188 5.6071 5.6072 6.3014 6.3027 6.8343 6.8367 7.0264 7.0281 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.0423-0.6529 ( 4374 PWs) bands (ev): -26.9203 -26.9203 -26.9171 -26.9171 -15.3309 -15.3308 -15.3303 -15.3301 -10.6496 -10.6387 -10.6110 -10.6082 -10.4106 -10.3883 -10.3723 -10.3629 -10.3364 -10.3307 -10.3274 -10.3173 -3.0957 -3.0948 -2.9364 -2.9360 -1.5900 -1.5896 -1.5440 -1.5429 -1.3603 -1.3601 -1.3499 -1.3491 -0.2864 -0.2860 0.0156 0.0181 5.7057 5.7061 6.2776 6.2779 6.7093 6.7098 6.9351 6.9359 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.3048-0.5061 ( 4384 PWs) bands (ev): -26.9219 -26.9219 -26.9186 -26.9186 -15.3359 -15.3356 -15.3286 -15.3281 -10.6441 -10.6277 -10.6040 -10.5964 -10.4053 -10.3774 -10.3642 -10.3496 -10.3370 -10.3254 -10.3194 -10.3099 -3.1218 -3.1208 -2.9575 -2.9573 -1.5949 -1.5941 -1.4788 -1.4784 -1.3512 -1.3496 -1.3255 -1.3233 -0.3005 -0.2994 -0.0066 -0.0043 5.8123 5.8132 6.3084 6.3092 6.7960 6.7968 6.8812 6.8826 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.3048-0.1907 ( 4390 PWs) bands (ev): -26.9257 -26.9257 -26.9206 -26.9206 -15.3382 -15.3380 -15.3330 -15.3327 -10.6221 -10.6049 -10.5929 -10.5865 -10.3784 -10.3570 -10.3450 -10.3362 -10.3229 -10.3147 -10.3035 -10.2969 -3.1930 -3.1920 -2.9189 -2.9185 -1.5438 -1.5431 -1.4033 -1.4014 -1.3325 -1.3307 -1.2727 -1.2711 -0.4889 -0.4887 -0.0134 -0.0117 6.0214 6.0227 6.2787 6.2794 6.6204 6.6209 6.8875 6.8895 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.3048 0.1247 ( 4389 PWs) bands (ev): -26.9262 -26.9262 -26.9201 -26.9201 -15.3396 -15.3393 -15.3316 -15.3314 -10.6202 -10.6063 -10.5944 -10.5867 -10.3805 -10.3559 -10.3436 -10.3376 -10.3195 -10.3153 -10.3029 -10.2980 -3.2093 -3.2086 -2.8987 -2.8985 -1.5379 -1.5375 -1.3939 -1.3922 -1.3776 -1.3761 -1.2330 -1.2325 -0.5241 -0.5238 0.0087 0.0102 6.1496 6.1512 6.3010 6.3015 6.4448 6.4451 6.8572 6.8597 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.3048 0.4402 ( 4386 PWs) bands (ev): -26.9231 -26.9231 -26.9175 -26.9175 -15.3352 -15.3348 -15.3293 -15.3289 -10.6486 -10.6280 -10.6033 -10.5945 -10.4122 -10.3821 -10.3579 -10.3487 -10.3356 -10.3209 -10.3179 -10.3105 -3.1304 -3.1295 -2.9378 -2.9376 -1.6067 -1.6059 -1.4450 -1.4440 -1.4107 -1.4102 -1.3142 -1.3132 -0.3214 -0.3202 0.0288 0.0311 6.0226 6.0238 6.3680 6.3693 6.5261 6.5293 6.8341 6.8373 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.3048-1.4524 ( 4377 PWs) bands (ev): -26.9187 -26.9187 -26.9147 -26.9147 -15.3352 -15.3350 -15.3205 -15.3201 -10.6755 -10.6560 -10.6197 -10.6100 -10.4366 -10.4171 -10.3757 -10.3691 -10.3489 -10.3378 -10.3321 -10.3285 -3.0285 -3.0271 -3.0009 -3.0002 -1.7147 -1.7136 -1.4962 -1.4951 -1.4225 -1.4220 -1.3618 -1.3606 -0.1031 -0.1008 0.0252 0.0279 5.8060 5.8071 6.4121 6.4140 6.7743 6.7782 6.9284 6.9316 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.3048-1.1370 ( 4376 PWs) bands (ev): -26.9160 -26.9160 -26.9142 -26.9142 -15.3322 -15.3320 -15.3196 -15.3193 -10.6710 -10.6650 -10.6315 -10.6291 -10.4293 -10.4249 -10.3932 -10.3902 -10.3551 -10.3503 -10.3390 -10.3382 -3.0461 -3.0451 -2.9705 -2.9700 -1.7225 -1.7215 -1.5650 -1.5638 -1.4030 -1.4021 -1.3765 -1.3740 -0.0208 -0.0180 0.0159 0.0185 5.6594 5.6600 6.5105 6.5123 6.9365 6.9395 6.9586 6.9611 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.3048-0.8216 ( 4383 PWs) bands (ev): -26.9172 -26.9172 -26.9162 -26.9162 -15.3308 -15.3307 -15.3250 -15.3245 -10.6579 -10.6458 -10.6302 -10.6214 -10.4168 -10.4037 -10.3913 -10.3822 -10.3494 -10.3453 -10.3346 -10.3289 -3.0717 -3.0708 -2.9657 -2.9653 -1.6421 -1.6412 -1.5835 -1.5817 -1.3819 -1.3780 -1.3597 -1.3544 -0.1293 -0.1270 0.0271 0.0296 5.6695 5.6702 6.4645 6.4658 6.7748 6.7760 7.0455 7.0467 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.5674-0.6749 ( 4392 PWs) bands (ev): -26.9184 -26.9184 -26.9170 -26.9170 -15.3369 -15.3367 -15.3198 -15.3193 -10.6630 -10.6471 -10.6187 -10.6098 -10.4241 -10.4058 -10.3805 -10.3743 -10.3537 -10.3439 -10.3261 -10.3222 -3.1043 -3.1037 -3.0140 -3.0132 -1.6522 -1.6509 -1.5203 -1.5193 -1.3802 -1.3791 -1.3303 -1.3275 -0.0815 -0.0793 0.0282 0.0303 5.8560 5.8571 6.5165 6.5173 6.8562 6.8583 7.1460 7.1477 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.5674-0.3594 ( 4383 PWs) bands (ev): -26.9215 -26.9215 -26.9188 -26.9188 -15.3385 -15.3382 -15.3241 -15.3238 -10.6513 -10.6293 -10.6053 -10.5950 -10.4118 -10.3821 -10.3609 -10.3583 -10.3470 -10.3357 -10.3140 -10.3074 -3.1341 -3.1332 -3.0126 -3.0122 -1.6306 -1.6298 -1.4594 -1.4582 -1.3532 -1.3518 -1.2971 -1.2966 -0.1822 -0.1818 -0.0076 -0.0057 5.9454 5.9462 6.5615 6.5624 6.8024 6.8037 7.0014 7.0032 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.5674-0.0440 ( 4386 PWs) bands (ev): -26.9233 -26.9233 -26.9192 -26.9192 -15.3334 -15.3331 -15.3319 -15.3314 -10.6373 -10.6223 -10.6011 -10.5945 -10.3937 -10.3739 -10.3526 -10.3486 -10.3409 -10.3283 -10.3170 -10.3123 -3.1731 -3.1719 -2.9832 -2.9826 -1.5942 -1.5935 -1.4274 -1.4264 -1.3676 -1.3665 -1.2889 -1.2875 -0.2705 -0.2688 0.0136 0.0157 6.2351 6.2362 6.4681 6.4700 6.6854 6.6876 6.9385 6.9414 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.5674 0.2714 ( 4385 PWs) bands (ev): -26.9224 -26.9224 -26.9178 -26.9178 -15.3357 -15.3352 -15.3269 -15.3268 -10.6429 -10.6273 -10.6123 -10.6005 -10.4073 -10.3803 -10.3603 -10.3511 -10.3432 -10.3364 -10.3229 -10.3138 -3.1572 -3.1564 -2.9850 -2.9847 -1.6042 -1.6039 -1.4803 -1.4798 -1.3860 -1.3858 -1.2728 -1.2726 -0.2349 -0.2344 0.0456 0.0475 6.2508 6.2521 6.3905 6.3928 6.6170 6.6199 6.9486 6.9524 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.5674-1.6212 ( 4387 PWs) bands (ev): -26.9198 -26.9198 -26.9156 -26.9156 -15.3341 -15.3338 -15.3226 -15.3222 -10.6617 -10.6452 -10.6213 -10.6132 -10.4246 -10.4102 -10.3732 -10.3633 -10.3563 -10.3438 -10.3311 -10.3252 -3.0810 -3.0800 -3.0302 -3.0295 -1.6463 -1.6451 -1.5155 -1.5153 -1.4112 -1.4098 -1.3378 -1.3365 -0.0857 -0.0835 0.0555 0.0579 6.1608 6.1623 6.3579 6.3591 6.7278 6.7330 7.0798 7.0842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.5674-1.3057 ( 4381 PWs) bands (ev): -26.9173 -26.9173 -26.9141 -26.9141 -15.3313 -15.3311 -15.3204 -15.3200 -10.6750 -10.6622 -10.6268 -10.6235 -10.4308 -10.4254 -10.3849 -10.3775 -10.3658 -10.3589 -10.3417 -10.3349 -3.0857 -3.0841 -3.0015 -3.0006 -1.6709 -1.6693 -1.4930 -1.4914 -1.4585 -1.4564 -1.4078 -1.4059 0.0289 0.0322 0.0490 0.0527 6.0338 6.0350 6.5108 6.5135 6.9055 6.9094 7.1475 7.1507 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429 0.5674-0.9903 ( 4377 PWs) bands (ev): -26.9166 -26.9166 -26.9148 -26.9148 -15.3297 -15.3295 -15.3221 -15.3215 -10.6694 -10.6579 -10.6313 -10.6257 -10.4214 -10.4160 -10.4006 -10.3864 -10.3642 -10.3573 -10.3406 -10.3367 -3.0986 -3.0973 -2.9900 -2.9891 -1.6448 -1.6433 -1.5466 -1.5447 -1.4314 -1.4286 -1.3975 -1.3932 -0.0049 -0.0014 0.0711 0.0745 5.9271 5.9284 6.6397 6.6422 6.8545 6.8567 7.1924 7.1938 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-1.0080 0.3374 ( 4392 PWs) bands (ev): -26.9182 -26.9182 -26.9155 -26.9155 -15.3365 -15.3362 -15.3169 -15.3166 -10.6695 -10.6612 -10.6212 -10.6138 -10.4266 -10.4190 -10.3927 -10.3779 -10.3614 -10.3553 -10.3267 -10.3232 -3.1398 -3.1387 -3.0230 -3.0221 -1.6493 -1.6482 -1.5140 -1.5124 -1.3949 -1.3939 -1.3561 -1.3538 -0.0103 -0.0077 0.0857 0.0883 5.9890 5.9904 6.7225 6.7235 6.8967 6.9012 7.2930 7.2946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-1.0080 0.6529 ( 4388 PWs) bands (ev): -26.9186 -26.9186 -26.9169 -26.9169 -15.3404 -15.3402 -15.3151 -15.3149 -10.6671 -10.6570 -10.6131 -10.6079 -10.4303 -10.4169 -10.3778 -10.3737 -10.3547 -10.3497 -10.3201 -10.3175 -3.1263 -3.1259 -3.0560 -3.0552 -1.6590 -1.6586 -1.5023 -1.5020 -1.3814 -1.3811 -1.2910 -1.2909 -0.0343 -0.0341 0.0469 0.0475 5.8640 5.8643 6.8004 6.8032 6.8792 6.8825 7.2286 7.2301 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-1.0080 0.9683 ( 4386 PWs) bands (ev): -26.9193 -26.9193 -26.9176 -26.9176 -15.3351 -15.3347 -15.3222 -15.3219 -10.6578 -10.6432 -10.6164 -10.6053 -10.4147 -10.3945 -10.3797 -10.3717 -10.3556 -10.3444 -10.3314 -10.3251 -3.1325 -3.1315 -3.0509 -3.0500 -1.6058 -1.6051 -1.4668 -1.4663 -1.3941 -1.3930 -1.3522 -1.3502 -0.0510 -0.0486 0.0329 0.0356 6.1228 6.1241 6.6488 6.6500 6.9780 6.9808 7.1520 7.1539 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-1.0080 1.2837 ( 4386 PWs) bands (ev): -26.9199 -26.9199 -26.9170 -26.9170 -15.3321 -15.3316 -15.3253 -15.3249 -10.6513 -10.6417 -10.6180 -10.6123 -10.4121 -10.3918 -10.3740 -10.3636 -10.3587 -10.3505 -10.3357 -10.3304 -3.1416 -3.1405 -3.0383 -3.0376 -1.5683 -1.5674 -1.5230 -1.5225 -1.4066 -1.4051 -1.3302 -1.3284 -0.0705 -0.0679 0.0600 0.0627 6.2843 6.2860 6.5258 6.5269 6.9227 6.9266 7.0834 7.0858 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-1.0080-0.6089 ( 4394 PWs) bands (ev): -26.9196 -26.9196 -26.9159 -26.9159 -15.3353 -15.3351 -15.3203 -15.3202 -10.6541 -10.6455 -10.6258 -10.6192 -10.4186 -10.4066 -10.3805 -10.3750 -10.3543 -10.3468 -10.3328 -10.3277 -3.1074 -3.1070 -3.0637 -3.0631 -1.6094 -1.6087 -1.5714 -1.5707 -1.3905 -1.3902 -1.2982 -1.2981 -0.0276 -0.0269 0.0680 0.0693 6.0889 6.0892 6.6338 6.6345 6.8196 6.8205 7.1447 7.1461 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-1.0080-0.2934 ( 4385 PWs) bands (ev): -26.9188 -26.9188 -26.9149 -26.9149 -15.3324 -15.3322 -15.3210 -15.3206 -10.6648 -10.6527 -10.6264 -10.6221 -10.4225 -10.4153 -10.3862 -10.3744 -10.3650 -10.3592 -10.3329 -10.3273 -3.1273 -3.1261 -3.0277 -3.0268 -1.6056 -1.6020 -1.5798 -1.5771 -1.4027 -1.4011 -1.3549 -1.3537 0.0139 0.0164 0.0850 0.0878 6.2082 6.2096 6.5680 6.5696 6.8178 6.8226 7.2411 7.2437 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-1.0080 0.0220 ( 4372 PWs) bands (ev): -26.9182 -26.9182 -26.9146 -26.9146 -15.3297 -15.3293 -15.3227 -15.3223 -10.6715 -10.6586 -10.6261 -10.6176 -10.4226 -10.4118 -10.3956 -10.3817 -10.3721 -10.3545 -10.3355 -10.3296 -3.1526 -3.1510 -2.9954 -2.9943 -1.6063 -1.6052 -1.5115 -1.5103 -1.4415 -1.4406 -1.4083 -1.4061 0.0021 0.0058 0.1129 0.1167 6.2774 6.2791 6.5973 6.5988 6.8540 6.8581 7.2948 7.2970 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.7455 0.1687 ( 4383 PWs) bands (ev): -26.9208 -26.9208 -26.9160 -26.9160 -15.3348 -15.3344 -15.3225 -15.3221 -10.6655 -10.6474 -10.6142 -10.6031 -10.4229 -10.3991 -10.3805 -10.3682 -10.3605 -10.3427 -10.3195 -10.3155 -3.1850 -3.1836 -2.9790 -2.9783 -1.6694 -1.6681 -1.4591 -1.4578 -1.3924 -1.3912 -1.3379 -1.3363 -0.1081 -0.1054 0.1172 0.1201 6.1893 6.1907 6.5992 6.6006 6.9421 6.9475 7.1140 7.1168 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.7455 0.4841 ( 4390 PWs) bands (ev): -26.9195 -26.9195 -26.9160 -26.9160 -15.3394 -15.3393 -15.3160 -15.3159 -10.6676 -10.6588 -10.6142 -10.6075 -10.4314 -10.4201 -10.3771 -10.3690 -10.3548 -10.3476 -10.3196 -10.3184 -3.1421 -3.1413 -3.0274 -3.0271 -1.6912 -1.6907 -1.4947 -1.4937 -1.3789 -1.3780 -1.3024 -1.3023 -0.0493 -0.0485 0.0861 0.0876 5.9182 5.9188 6.7578 6.7597 6.9793 6.9839 7.1195 7.1220 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.7455 0.7996 ( 4394 PWs) bands (ev): -26.9177 -26.9177 -26.9160 -26.9160 -15.3368 -15.3365 -15.3166 -15.3163 -10.6662 -10.6601 -10.6233 -10.6137 -10.4280 -10.4232 -10.3838 -10.3755 -10.3576 -10.3484 -10.3366 -10.3324 -3.1072 -3.1063 -3.0573 -3.0566 -1.6525 -1.6514 -1.4886 -1.4882 -1.4235 -1.4221 -1.3481 -1.3464 0.0033 0.0060 0.0742 0.0767 6.0083 6.0098 6.7801 6.7819 6.9567 6.9576 7.1665 7.1678 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.7455 1.1150 ( 4387 PWs) bands (ev): -26.9169 -26.9169 -26.9160 -26.9160 -15.3271 -15.3267 -15.3254 -15.3249 -10.6593 -10.6550 -10.6278 -10.6247 -10.4143 -10.4102 -10.3916 -10.3867 -10.3641 -10.3565 -10.3463 -10.3418 -3.0969 -3.0956 -3.0582 -3.0570 -1.5533 -1.5515 -1.5257 -1.5235 -1.4424 -1.4405 -1.4341 -1.4311 0.0390 0.0427 0.0665 0.0702 6.3895 6.3916 6.4818 6.4837 7.0364 7.0389 7.1486 7.1501 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.7455-0.7776 ( 4392 PWs) bands (ev): -26.9183 -26.9183 -26.9155 -26.9155 -15.3349 -15.3346 -15.3186 -15.3182 -10.6631 -10.6559 -10.6259 -10.6187 -10.4266 -10.4211 -10.3791 -10.3713 -10.3616 -10.3476 -10.3423 -10.3361 -3.0896 -3.0877 -3.0713 -3.0701 -1.6403 -1.6392 -1.5132 -1.5127 -1.4269 -1.4249 -1.3477 -1.3464 0.0191 0.0218 0.0716 0.0740 6.1129 6.1145 6.6993 6.7007 6.9306 6.9346 7.1294 7.1317 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.7455-0.4622 ( 4388 PWs) bands (ev): -26.9199 -26.9199 -26.9156 -26.9156 -15.3366 -15.3364 -15.3188 -15.3187 -10.6612 -10.6535 -10.6203 -10.6126 -10.4260 -10.4152 -10.3783 -10.3668 -10.3550 -10.3476 -10.3257 -10.3243 -3.1355 -3.1346 -3.0279 -3.0274 -1.6794 -1.6789 -1.5178 -1.5169 -1.3827 -1.3820 -1.3067 -1.3066 -0.0442 -0.0432 0.0963 0.0980 6.0447 6.0455 6.6763 6.6777 6.8963 6.8972 7.1162 7.1175 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.7455-0.1467 ( 4381 PWs) bands (ev): -26.9210 -26.9210 -26.9159 -26.9159 -15.3332 -15.3328 -15.3240 -15.3236 -10.6634 -10.6456 -10.6162 -10.6053 -10.4215 -10.3974 -10.3777 -10.3672 -10.3612 -10.3444 -10.3213 -10.3181 -3.1869 -3.1855 -2.9751 -2.9744 -1.6624 -1.6611 -1.4764 -1.4753 -1.3960 -1.3949 -1.3288 -1.3274 -0.1116 -0.1089 0.1250 0.1279 6.2902 6.2918 6.5336 6.5354 6.8819 6.8872 7.0940 7.0967 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.4829 0.0000 ( 4381 PWs) bands (ev): -26.9245 -26.9245 -26.9180 -26.9180 -15.3338 -15.3335 -15.3314 -15.3309 -10.6445 -10.6233 -10.5994 -10.5918 -10.4013 -10.3725 -10.3552 -10.3488 -10.3439 -10.3281 -10.3079 -10.3055 -3.2205 -3.2190 -2.9105 -2.9099 -1.6616 -1.6602 -1.3932 -1.3916 -1.3865 -1.3858 -1.2641 -1.2631 -0.3514 -0.3496 0.1012 0.1036 6.2627 6.2651 6.4185 6.4213 6.7533 6.7547 6.9086 6.9124 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.4829 0.3154 ( 4378 PWs) bands (ev): -26.9230 -26.9230 -26.9172 -26.9172 -15.3366 -15.3362 -15.3260 -15.3257 -10.6526 -10.6320 -10.6054 -10.5951 -10.4155 -10.3870 -10.3575 -10.3506 -10.3454 -10.3361 -10.3130 -10.3077 -3.1803 -3.1791 -2.9427 -2.9423 -1.6807 -1.6798 -1.4421 -1.4406 -1.3617 -1.3604 -1.2944 -1.2939 -0.2644 -0.2635 0.0936 0.0959 6.0861 6.0878 6.5352 6.5371 6.7861 6.7893 6.8911 6.8957 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.4829 0.6309 ( 4388 PWs) bands (ev): -26.9196 -26.9196 -26.9157 -26.9157 -15.3368 -15.3366 -15.3198 -15.3194 -10.6654 -10.6519 -10.6183 -10.6076 -10.4321 -10.4167 -10.3720 -10.3616 -10.3495 -10.3373 -10.3292 -10.3276 -3.1052 -3.1042 -3.0012 -3.0006 -1.6910 -1.6899 -1.4767 -1.4760 -1.4099 -1.4082 -1.3405 -1.3393 -0.1065 -0.1042 0.0816 0.0841 6.0173 6.0189 6.5868 6.5874 6.7813 6.7830 6.9686 6.9700 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.4829 0.9463 ( 4388 PWs) bands (ev): -26.9164 -26.9164 -26.9150 -26.9150 -15.3303 -15.3300 -15.3215 -15.3211 -10.6655 -10.6569 -10.6358 -10.6268 -10.4268 -10.4229 -10.3950 -10.3867 -10.3542 -10.3499 -10.3469 -10.3405 -3.0555 -3.0544 -3.0340 -3.0330 -1.6379 -1.6366 -1.5309 -1.5292 -1.4446 -1.4440 -1.4143 -1.4124 0.0123 0.0159 0.0671 0.0706 6.2091 6.2111 6.4458 6.4471 6.8551 6.8562 7.0270 7.0287 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.4829-0.9463 ( 4388 PWs) bands (ev): -26.9164 -26.9164 -26.9150 -26.9150 -15.3303 -15.3300 -15.3215 -15.3211 -10.6655 -10.6569 -10.6358 -10.6268 -10.4268 -10.4229 -10.3950 -10.3867 -10.3542 -10.3499 -10.3469 -10.3405 -3.0555 -3.0544 -3.0340 -3.0330 -1.6379 -1.6366 -1.5309 -1.5292 -1.4446 -1.4440 -1.4143 -1.4124 0.0123 0.0159 0.0671 0.0706 6.2091 6.2111 6.4458 6.4471 6.8551 6.8562 7.0270 7.0288 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.4829-0.6309 ( 4388 PWs) bands (ev): -26.9196 -26.9196 -26.9157 -26.9157 -15.3368 -15.3366 -15.3198 -15.3194 -10.6654 -10.6519 -10.6183 -10.6076 -10.4321 -10.4167 -10.3720 -10.3616 -10.3495 -10.3373 -10.3292 -10.3276 -3.1052 -3.1042 -3.0012 -3.0006 -1.6910 -1.6899 -1.4767 -1.4760 -1.4099 -1.4082 -1.3405 -1.3393 -0.1065 -0.1042 0.0816 0.0841 6.0173 6.0189 6.5868 6.5874 6.7813 6.7830 6.9686 6.9700 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1429-0.4829-0.3154 ( 4378 PWs) bands (ev): -26.9230 -26.9230 -26.9172 -26.9172 -15.3366 -15.3362 -15.3260 -15.3257 -10.6526 -10.6320 -10.6054 -10.5951 -10.4155 -10.3870 -10.3574 -10.3506 -10.3454 -10.3361 -10.3130 -10.3077 -3.1803 -3.1791 -2.9427 -2.9423 -1.6807 -1.6798 -1.4421 -1.4406 -1.3617 -1.3604 -1.2944 -1.2939 -0.2644 -0.2635 0.0936 0.0960 6.0861 6.0878 6.5352 6.5371 6.7861 6.7893 6.8911 6.8957 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.4406-0.3374 ( 4382 PWs) bands (ev): -26.9225 -26.9225 -26.9178 -26.9178 -15.3379 -15.3375 -15.3247 -15.3244 -10.6538 -10.6318 -10.6038 -10.5939 -10.4153 -10.3860 -10.3595 -10.3548 -10.3458 -10.3349 -10.3119 -10.3062 -3.1652 -3.1640 -2.9664 -2.9661 -1.6704 -1.6695 -1.4423 -1.4407 -1.3505 -1.3487 -1.3028 -1.3021 -0.2361 -0.2353 0.0591 0.0613 5.9822 5.9833 6.5849 6.5862 6.8170 6.8176 6.9447 6.9464 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.4406-0.0220 ( 4382 PWs) bands (ev): -26.9241 -26.9241 -26.9183 -26.9183 -15.3337 -15.3334 -15.3315 -15.3310 -10.6425 -10.6228 -10.6000 -10.5925 -10.3993 -10.3725 -10.3544 -10.3489 -10.3432 -10.3285 -10.3104 -10.3073 -3.2083 -3.2070 -2.9307 -2.9301 -1.6428 -1.6417 -1.3995 -1.3982 -1.3837 -1.3829 -1.2707 -1.2695 -0.3305 -0.3287 0.0781 0.0805 6.2431 6.2448 6.4640 6.4661 6.7021 6.7029 6.9267 6.9301 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.4406 0.2934 ( 4385 PWs) bands (ev): -26.9230 -26.9230 -26.9173 -26.9173 -15.3354 -15.3350 -15.3272 -15.3270 -10.6482 -10.6301 -10.6089 -10.5978 -10.4122 -10.3847 -10.3575 -10.3480 -10.3440 -10.3381 -10.3175 -10.3110 -3.1777 -3.1766 -2.9501 -2.9499 -1.6554 -1.6548 -1.4544 -1.4534 -1.3773 -1.3767 -1.2815 -1.2812 -0.2645 -0.2637 0.0882 0.0905 6.2256 6.2280 6.4414 6.4433 6.6603 6.6632 6.9152 6.9192 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.4406 0.6089 ( 4385 PWs) bands (ev): -26.9199 -26.9199 -26.9154 -26.9154 -15.3354 -15.3352 -15.3212 -15.3208 -10.6640 -10.6498 -10.6194 -10.6101 -10.4301 -10.4156 -10.3709 -10.3592 -10.3514 -10.3391 -10.3317 -10.3279 -3.0945 -3.0934 -3.0116 -3.0110 -1.6781 -1.6769 -1.4831 -1.4824 -1.4204 -1.4184 -1.3414 -1.3404 -0.1005 -0.0982 0.0796 0.0821 6.1684 6.1708 6.4087 6.4093 6.7658 6.7706 6.9901 6.9941 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.4406-1.2837 ( 4382 PWs) bands (ev): -26.9169 -26.9169 -26.9145 -26.9145 -15.3310 -15.3307 -15.3208 -15.3203 -10.6704 -10.6597 -10.6313 -10.6251 -10.4305 -10.4258 -10.3877 -10.3826 -10.3584 -10.3539 -10.3444 -10.3379 -3.0625 -3.0609 -3.0261 -3.0251 -1.6571 -1.6556 -1.4953 -1.4935 -1.4667 -1.4639 -1.4130 -1.4115 0.0258 0.0293 0.0561 0.0596 6.2200 6.2218 6.3802 6.3825 6.9308 6.9349 7.0191 7.0220 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.4406-0.9683 ( 4386 PWs) bands (ev): -26.9161 -26.9161 -26.9153 -26.9153 -15.3296 -15.3294 -15.3222 -15.3217 -10.6650 -10.6561 -10.6358 -10.6271 -10.4222 -10.4177 -10.4015 -10.3889 -10.3591 -10.3520 -10.3433 -10.3392 -3.0806 -3.0794 -3.0090 -3.0080 -1.6302 -1.6286 -1.5521 -1.5497 -1.4335 -1.4315 -1.4081 -1.4043 0.0002 0.0039 0.0722 0.0756 6.0466 6.0482 6.6141 6.6159 6.8087 6.8103 7.0952 7.0958 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.4406-0.6529 ( 4391 PWs) bands (ev): -26.9190 -26.9190 -26.9163 -26.9163 -15.3374 -15.3372 -15.3192 -15.3188 -10.6651 -10.6506 -10.6181 -10.6073 -10.4297 -10.4131 -10.3759 -10.3675 -10.3507 -10.3399 -10.3269 -10.3244 -3.1091 -3.1084 -3.0026 -3.0021 -1.6808 -1.6796 -1.4937 -1.4931 -1.3900 -1.3892 -1.3355 -1.3335 -0.1008 -0.0986 0.0615 0.0639 5.9030 5.9043 6.5907 6.5914 6.8268 6.8281 7.0512 7.0523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.1781-0.5061 ( 4384 PWs) bands (ev): -26.9219 -26.9219 -26.9186 -26.9186 -15.3359 -15.3356 -15.3286 -15.3281 -10.6441 -10.6277 -10.6040 -10.5964 -10.4053 -10.3774 -10.3642 -10.3496 -10.3370 -10.3254 -10.3194 -10.3099 -3.1218 -3.1208 -2.9575 -2.9573 -1.5949 -1.5941 -1.4788 -1.4784 -1.3512 -1.3496 -1.3255 -1.3233 -0.3005 -0.2994 -0.0066 -0.0043 5.8123 5.8132 6.3084 6.3092 6.7960 6.7968 6.8812 6.8826 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.1781-0.1907 ( 4390 PWs) bands (ev): -26.9257 -26.9257 -26.9206 -26.9206 -15.3382 -15.3380 -15.3330 -15.3327 -10.6221 -10.6049 -10.5929 -10.5865 -10.3784 -10.3570 -10.3450 -10.3362 -10.3229 -10.3147 -10.3035 -10.2969 -3.1930 -3.1920 -2.9189 -2.9185 -1.5438 -1.5431 -1.4033 -1.4014 -1.3325 -1.3307 -1.2727 -1.2711 -0.4889 -0.4887 -0.0134 -0.0117 6.0214 6.0227 6.2787 6.2794 6.6204 6.6209 6.8875 6.8895 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.1781 0.1247 ( 4389 PWs) bands (ev): -26.9262 -26.9262 -26.9201 -26.9201 -15.3396 -15.3393 -15.3316 -15.3314 -10.6202 -10.6063 -10.5944 -10.5867 -10.3805 -10.3559 -10.3436 -10.3376 -10.3195 -10.3153 -10.3028 -10.2980 -3.2093 -3.2086 -2.8987 -2.8985 -1.5379 -1.5375 -1.3939 -1.3922 -1.3776 -1.3761 -1.2330 -1.2325 -0.5241 -0.5238 0.0087 0.0102 6.1496 6.1512 6.3010 6.3015 6.4448 6.4451 6.8572 6.8597 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.1781 0.4402 ( 4386 PWs) bands (ev): -26.9231 -26.9231 -26.9175 -26.9175 -15.3352 -15.3348 -15.3293 -15.3289 -10.6486 -10.6280 -10.6033 -10.5945 -10.4122 -10.3821 -10.3579 -10.3487 -10.3356 -10.3209 -10.3179 -10.3105 -3.1304 -3.1295 -2.9378 -2.9376 -1.6067 -1.6059 -1.4450 -1.4440 -1.4107 -1.4102 -1.3142 -1.3132 -0.3214 -0.3202 0.0288 0.0311 6.0226 6.0238 6.3680 6.3693 6.5261 6.5293 6.8340 6.8373 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.1781-1.4524 ( 4377 PWs) bands (ev): -26.9187 -26.9187 -26.9147 -26.9147 -15.3352 -15.3350 -15.3205 -15.3201 -10.6755 -10.6560 -10.6197 -10.6100 -10.4366 -10.4171 -10.3757 -10.3691 -10.3489 -10.3378 -10.3321 -10.3286 -3.0285 -3.0271 -3.0009 -3.0002 -1.7147 -1.7136 -1.4962 -1.4951 -1.4225 -1.4220 -1.3618 -1.3606 -0.1031 -0.1008 0.0252 0.0279 5.8060 5.8071 6.4121 6.4140 6.7743 6.7782 6.9284 6.9316 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.1781-1.1370 ( 4376 PWs) bands (ev): -26.9160 -26.9160 -26.9142 -26.9142 -15.3322 -15.3320 -15.3196 -15.3193 -10.6710 -10.6650 -10.6315 -10.6291 -10.4293 -10.4249 -10.3932 -10.3902 -10.3551 -10.3503 -10.3390 -10.3382 -3.0461 -3.0451 -2.9705 -2.9700 -1.7225 -1.7215 -1.5650 -1.5638 -1.4030 -1.4021 -1.3765 -1.3740 -0.0208 -0.0180 0.0159 0.0185 5.6594 5.6600 6.5105 6.5123 6.9365 6.9395 6.9586 6.9611 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.1781-0.8216 ( 4383 PWs) bands (ev): -26.9172 -26.9172 -26.9162 -26.9162 -15.3308 -15.3307 -15.3250 -15.3245 -10.6579 -10.6458 -10.6302 -10.6214 -10.4168 -10.4037 -10.3913 -10.3822 -10.3494 -10.3453 -10.3346 -10.3289 -3.0717 -3.0708 -2.9657 -2.9653 -1.6421 -1.6412 -1.5835 -1.5817 -1.3819 -1.3780 -1.3597 -1.3544 -0.1293 -0.1270 0.0271 0.0296 5.6695 5.6702 6.4645 6.4658 6.7748 6.7760 7.0455 7.0467 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.0845-0.6749 ( 4372 PWs) bands (ev): -26.9193 -26.9193 -26.9182 -26.9182 -15.3328 -15.3324 -15.3287 -15.3283 -10.6434 -10.6391 -10.6139 -10.6077 -10.3976 -10.3952 -10.3696 -10.3686 -10.3426 -10.3345 -10.3244 -10.3169 -3.0803 -3.0796 -2.9600 -2.9598 -1.5812 -1.5808 -1.5577 -1.5574 -1.3515 -1.3507 -1.3339 -1.3339 -0.2466 -0.2463 -0.0350 -0.0331 5.5488 5.5493 6.3748 6.3761 6.7840 6.7854 6.9448 6.9452 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.0845-0.3594 ( 4376 PWs) bands (ev): -26.9243 -26.9243 -26.9211 -26.9211 -15.3370 -15.3366 -15.3339 -15.3336 -10.6185 -10.6146 -10.5903 -10.5898 -10.3759 -10.3651 -10.3461 -10.3369 -10.3207 -10.3157 -10.3037 -10.3007 -3.1385 -3.1378 -2.9516 -2.9513 -1.4829 -1.4823 -1.4595 -1.4581 -1.3244 -1.3230 -1.3142 -1.3138 -0.4334 -0.4329 -0.0815 -0.0797 5.8131 5.8134 6.2175 6.2180 6.7285 6.7287 6.8007 6.8018 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.0845-0.0440 ( 4380 PWs) bands (ev): -26.9269 -26.9269 -26.9221 -26.9221 -15.3417 -15.3417 -15.3331 -15.3331 -10.5982 -10.5969 -10.5901 -10.5890 -10.3555 -10.3484 -10.3446 -10.3380 -10.3024 -10.3001 -10.2967 -10.2945 -3.1926 -3.1923 -2.9167 -2.9164 -1.4504 -1.4501 -1.4267 -1.4266 -1.3350 -1.3347 -1.2293 -1.2291 -0.5741 -0.5739 -0.0765 -0.0762 6.0720 6.0722 6.1137 6.1139 6.5254 6.5257 6.8516 6.8519 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.0845 0.2714 ( 4385 PWs) bands (ev): -26.9254 -26.9254 -26.9200 -26.9200 -15.3380 -15.3376 -15.3329 -15.3327 -10.6249 -10.6103 -10.5910 -10.5879 -10.3851 -10.3580 -10.3449 -10.3439 -10.3194 -10.3103 -10.3049 -10.2975 -3.1619 -3.1614 -2.9153 -2.9152 -1.4906 -1.4897 -1.4416 -1.4415 -1.3979 -1.3968 -1.2696 -1.2688 -0.4669 -0.4666 -0.0426 -0.0410 5.9378 5.9381 6.2882 6.2906 6.4944 6.4975 6.8049 6.8051 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.0845-1.6212 ( 4395 PWs) bands (ev): -26.9211 -26.9211 -26.9164 -26.9164 -15.3358 -15.3355 -15.3257 -15.3252 -10.6640 -10.6388 -10.6081 -10.5967 -10.4243 -10.3930 -10.3641 -10.3613 -10.3419 -10.3256 -10.3188 -10.3167 -3.0555 -3.0546 -2.9672 -2.9669 -1.6634 -1.6627 -1.4787 -1.4776 -1.4142 -1.4137 -1.3237 -1.3235 -0.2258 -0.2255 -0.0193 -0.0168 5.6704 5.6714 6.4858 6.4880 6.6924 6.6955 6.7855 6.7869 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.0845-1.3057 ( 4389 PWs) bands (ev): -26.9171 -26.9171 -26.9140 -26.9140 -15.3371 -15.3369 -15.3165 -15.3163 -10.6822 -10.6691 -10.6208 -10.6149 -10.4398 -10.4256 -10.3810 -10.3755 -10.3526 -10.3503 -10.3303 -10.3292 -3.0247 -3.0244 -2.9677 -2.9670 -1.7750 -1.7746 -1.5353 -1.5347 -1.3893 -1.3890 -1.3392 -1.3392 -0.0493 -0.0485 -0.0334 -0.0315 5.4483 5.4489 6.5601 6.5609 6.8575 6.8591 6.9633 6.9649 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.0845-0.9903 ( 4382 PWs) bands (ev): -26.9161 -26.9161 -26.9150 -26.9150 -15.3344 -15.3342 -15.3193 -15.3191 -10.6684 -10.6595 -10.6323 -10.6221 -10.4257 -10.4164 -10.3914 -10.3843 -10.3577 -10.3515 -10.3326 -10.3298 -3.0540 -3.0535 -2.9457 -2.9454 -1.7252 -1.7249 -1.5809 -1.5808 -1.3648 -1.3647 -1.3423 -1.3423 -0.1060 -0.1054 0.0049 0.0062 5.3998 5.3998 6.5667 6.5675 6.8865 6.8878 6.9936 6.9947 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.3471-0.8436 ( 4390 PWs) bands (ev): -26.9173 -26.9173 -26.9161 -26.9161 -15.3327 -15.3324 -15.3232 -15.3227 -10.6635 -10.6457 -10.6280 -10.6165 -10.4190 -10.4024 -10.3871 -10.3800 -10.3555 -10.3490 -10.3334 -10.3277 -3.0689 -3.0680 -2.9712 -2.9709 -1.6631 -1.6625 -1.5636 -1.5623 -1.3787 -1.3741 -1.3511 -1.3451 -0.1068 -0.1045 -0.0050 -0.0030 5.5525 5.5531 6.5392 6.5412 6.8594 6.8613 7.0493 7.0518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.3471-0.5281 ( 4373 PWs) bands (ev): -26.9207 -26.9207 -26.9198 -26.9198 -15.3359 -15.3355 -15.3287 -15.3282 -10.6407 -10.6257 -10.6054 -10.5983 -10.3988 -10.3755 -10.3660 -10.3547 -10.3401 -10.3256 -10.3187 -10.3107 -3.0845 -3.0838 -3.0038 -3.0037 -1.5691 -1.5681 -1.5058 -1.5049 -1.3566 -1.3549 -1.3086 -1.3066 -0.2236 -0.2223 -0.0854 -0.0835 5.7560 5.7566 6.3159 6.3172 6.7763 6.7774 6.9292 6.9316 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.3471-0.2127 ( 4387 PWs) bands (ev): -26.9244 -26.9244 -26.9219 -26.9219 -15.3373 -15.3370 -15.3340 -15.3337 -10.6192 -10.6038 -10.5952 -10.5875 -10.3756 -10.3567 -10.3472 -10.3373 -10.3220 -10.3130 -10.3057 -10.2977 -3.1309 -3.1301 -2.9954 -2.9950 -1.5200 -1.5197 -1.4394 -1.4382 -1.3116 -1.3098 -1.2928 -1.2910 -0.3566 -0.3562 -0.1184 -0.1169 6.0181 6.0190 6.2614 6.2620 6.6916 6.6924 6.7979 6.8002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.3471 0.1027 ( 4384 PWs) bands (ev): -26.9250 -26.9250 -26.9213 -26.9213 -15.3388 -15.3384 -15.3324 -15.3323 -10.6173 -10.6055 -10.5964 -10.5877 -10.3776 -10.3556 -10.3455 -10.3392 -10.3188 -10.3134 -10.3050 -10.2989 -3.1554 -3.1548 -2.9680 -2.9675 -1.5150 -1.5148 -1.4357 -1.4350 -1.3600 -1.3592 -1.2450 -1.2445 -0.4014 -0.4007 -0.0837 -0.0824 6.1137 6.1143 6.2774 6.2792 6.5125 6.5139 6.8241 6.8266 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.3471-1.7899 ( 4382 PWs) bands (ev): -26.9223 -26.9223 -26.9182 -26.9182 -15.3353 -15.3348 -15.3293 -15.3289 -10.6450 -10.6253 -10.6056 -10.5961 -10.4064 -10.3780 -10.3618 -10.3520 -10.3392 -10.3214 -10.3182 -10.3112 -3.0993 -3.0987 -2.9804 -2.9801 -1.5849 -1.5843 -1.4763 -1.4755 -1.3987 -1.3973 -1.3004 -1.2992 -0.2610 -0.2598 -0.0368 -0.0348 5.8792 5.8800 6.4202 6.4222 6.5567 6.5584 6.8881 6.8917 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.3471-1.4744 ( 4387 PWs) bands (ev): -26.9185 -26.9185 -26.9149 -26.9149 -15.3356 -15.3353 -15.3203 -15.3198 -10.6755 -10.6552 -10.6188 -10.6087 -10.4340 -10.4146 -10.3742 -10.3681 -10.3566 -10.3429 -10.3312 -10.3271 -3.0337 -3.0325 -3.0000 -2.9995 -1.7130 -1.7121 -1.5058 -1.5051 -1.4059 -1.4044 -1.3542 -1.3517 -0.0773 -0.0752 -0.0148 -0.0124 5.6263 5.6271 6.5985 6.6020 6.7718 6.7778 6.9784 6.9829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857 0.3471-1.1590 ( 4369 PWs) bands (ev): -26.9164 -26.9164 -26.9138 -26.9138 -15.3350 -15.3348 -15.3168 -15.3165 -10.6790 -10.6721 -10.6237 -10.6216 -10.4345 -10.4289 -10.3855 -10.3781 -10.3610 -10.3571 -10.3379 -10.3367 -3.0636 -3.0625 -2.9543 -2.9540 -1.7542 -1.7532 -1.5347 -1.5336 -1.3967 -1.3937 -1.3696 -1.3651 -0.0360 -0.0333 0.0177 0.0201 5.4965 5.4971 6.6897 6.6932 6.9504 6.9515 7.0157 7.0171 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-1.2284 0.1687 ( 4369 PWs) bands (ev): -26.9170 -26.9170 -26.9143 -26.9143 -15.3304 -15.3302 -15.3214 -15.3208 -10.6742 -10.6608 -10.6269 -10.6237 -10.4245 -10.4189 -10.3940 -10.3802 -10.3676 -10.3616 -10.3401 -10.3347 -3.1059 -3.1044 -2.9815 -2.9806 -1.6631 -1.6617 -1.5313 -1.5300 -1.4324 -1.4298 -1.3938 -1.3898 -0.0001 0.0034 0.0654 0.0689 5.8788 5.8799 6.6250 6.6282 6.8750 6.8774 7.2696 7.2719 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 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-1.2284 0.4841 ( 4401 PWs) bands (ev): -26.9186 -26.9186 -26.9168 -26.9168 -15.3355 -15.3353 -15.3212 -15.3207 -10.6607 -10.6432 -10.6199 -10.6139 -10.4189 -10.3995 -10.3825 -10.3780 -10.3571 -10.3472 -10.3267 -10.3217 -3.0911 -3.0903 -3.0300 -3.0288 -1.6164 -1.6147 -1.5508 -1.5491 -1.3836 -1.3822 -1.3291 -1.3264 -0.0576 -0.0553 0.0014 0.0031 5.8872 5.8881 6.4677 6.4689 6.8205 6.8232 7.1848 7.1874 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-1.2284 0.7996 ( 4388 PWs) bands (ev): -26.9206 -26.9206 -26.9197 -26.9197 -15.3382 -15.3378 -15.3244 -15.3242 -10.6464 -10.6260 -10.6095 -10.5978 -10.4068 -10.3775 -10.3613 -10.3600 -10.3475 -10.3369 -10.3182 -10.3103 -3.0941 -3.0936 -3.0631 -3.0618 -1.5767 -1.5762 -1.4943 -1.4936 -1.3672 -1.3663 -1.2833 -1.2829 -0.1213 -0.1209 -0.0787 -0.0771 5.9862 5.9868 6.5010 6.5020 6.7622 6.7637 7.0167 7.0194 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-1.2284 1.1150 ( 4387 PWs) bands (ev): -26.9220 -26.9220 -26.9205 -26.9205 -15.3329 -15.3326 -15.3323 -15.3319 -10.6305 -10.6247 -10.6004 -10.5976 -10.3861 -10.3787 -10.3506 -10.3489 -10.3352 -10.3271 -10.3240 -10.3189 -3.1184 -3.1174 -3.0512 -3.0504 -1.5324 -1.5323 -1.4734 -1.4729 -1.3430 -1.3417 -1.3149 -1.3134 -0.1810 -0.1793 -0.0792 -0.0774 6.2742 6.2751 6.3626 6.3638 6.7940 6.7964 6.8961 6.8988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-1.2284-0.7776 ( 4380 PWs) bands (ev): -26.9214 -26.9214 -26.9188 -26.9188 -15.3370 -15.3366 -15.3256 -15.3254 -10.6421 -10.6249 -10.6131 -10.6006 -10.4045 -10.3767 -10.3622 -10.3569 -10.3450 -10.3363 -10.3227 -10.3133 -3.1206 -3.1201 -3.0343 -3.0336 -1.5469 -1.5461 -1.5214 -1.5209 -1.3814 -1.3809 -1.2733 -1.2729 -0.1771 -0.1767 -0.0227 -0.0213 6.0992 6.0998 6.4472 6.4490 6.6832 6.6853 6.9909 6.9943 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-1.2284-0.4622 ( 4387 PWs) bands (ev): -26.9193 -26.9193 -26.9160 -26.9160 -15.3341 -15.3339 -15.3226 -15.3221 -10.6602 -10.6418 -10.6218 -10.6152 -10.4193 -10.4029 -10.3777 -10.3733 -10.3584 -10.3473 -10.3286 -10.3229 -3.0767 -3.0755 -3.0415 -3.0400 -1.6105 -1.6092 -1.5527 -1.5516 -1.3961 -1.3949 -1.3325 -1.3304 -0.0651 -0.0630 0.0193 0.0213 5.9953 5.9961 6.4352 6.4368 6.7522 6.7563 7.1554 7.1592 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-1.2284-0.1467 ( 4367 PWs) bands (ev): -26.9173 -26.9173 -26.9140 -26.9140 -15.3310 -15.3309 -15.3207 -15.3202 -10.6764 -10.6626 -10.6251 -10.6228 -10.4282 -10.4226 -10.3881 -10.3744 -10.3701 -10.3624 -10.3403 -10.3339 -3.1012 -3.0996 -2.9855 -2.9846 -1.6731 -1.6715 -1.5135 -1.5124 -1.4389 -1.4371 -1.3995 -1.3963 0.0136 0.0171 0.0569 0.0606 5.9146 5.9157 6.5908 6.5940 6.8812 6.8844 7.2550 7.2578 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.9658 0.0000 ( 4367 PWs) bands (ev): -26.9184 -26.9184 -26.9144 -26.9144 -15.3301 -15.3297 -15.3224 -15.3219 -10.6736 -10.6600 -10.6255 -10.6165 -10.4240 -10.4129 -10.3963 -10.3818 -10.3717 -10.3535 -10.3334 -10.3278 -3.1604 -3.1589 -2.9857 -2.9847 -1.6147 -1.6137 -1.5125 -1.5119 -1.4408 -1.4398 -1.4026 -1.4008 -0.0028 0.0009 0.1201 0.1239 6.2654 6.2670 6.5972 6.5993 6.8378 6.8414 7.3207 7.3229 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.9658 0.3154 ( 4388 PWs) bands (ev): -26.9187 -26.9187 -26.9151 -26.9151 -15.3344 -15.3342 -15.3190 -15.3187 -10.6679 -10.6571 -10.6238 -10.6177 -10.4245 -10.4150 -10.3927 -10.3755 -10.3647 -10.3578 -10.3283 -10.3236 -3.1389 -3.1377 -3.0191 -3.0182 -1.6319 -1.6304 -1.5461 -1.5446 -1.3945 -1.3932 -1.3571 -1.3554 -0.0005 0.0020 0.0885 0.0912 6.0844 6.0857 6.6380 6.6390 6.8637 6.8679 7.2771 7.2792 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.9658 0.6309 ( 4395 PWs) bands (ev): -26.9190 -26.9190 -26.9165 -26.9165 -15.3382 -15.3380 -15.3173 -15.3172 -10.6609 -10.6508 -10.6193 -10.6133 -10.4242 -10.4102 -10.3803 -10.3730 -10.3570 -10.3489 -10.3263 -10.3225 -3.1080 -3.1067 -3.0721 -3.0704 -1.6298 -1.6294 -1.5353 -1.5347 -1.3882 -1.3878 -1.2923 -1.2922 -0.0250 -0.0249 0.0472 0.0479 5.9546 5.9548 6.7185 6.7198 6.8723 6.8749 7.1784 7.1802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.9658 0.9463 ( 4391 PWs) bands (ev): -26.9189 -26.9189 -26.9180 -26.9180 -15.3337 -15.3333 -15.3236 -15.3232 -10.6517 -10.6417 -10.6180 -10.6098 -10.4107 -10.3927 -10.3766 -10.3676 -10.3547 -10.3466 -10.3390 -10.3311 -3.1026 -3.1013 -3.0838 -3.0827 -1.5613 -1.5607 -1.5099 -1.5095 -1.4018 -1.4002 -1.3414 -1.3395 -0.0313 -0.0288 0.0106 0.0132 6.1850 6.1864 6.5814 6.5826 6.9914 6.9929 7.1191 7.1210 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.9658-0.9463 ( 4391 PWs) bands (ev): -26.9189 -26.9189 -26.9180 -26.9180 -15.3337 -15.3333 -15.3236 -15.3232 -10.6517 -10.6417 -10.6180 -10.6098 -10.4107 -10.3927 -10.3766 -10.3676 -10.3547 -10.3466 -10.3390 -10.3311 -3.1026 -3.1013 -3.0838 -3.0827 -1.5613 -1.5607 -1.5099 -1.5095 -1.4018 -1.4002 -1.3414 -1.3395 -0.0313 -0.0288 0.0106 0.0132 6.1850 6.1864 6.5814 6.5826 6.9914 6.9929 7.1191 7.1210 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.9658-0.6309 ( 4395 PWs) bands (ev): -26.9190 -26.9190 -26.9165 -26.9165 -15.3382 -15.3380 -15.3173 -15.3172 -10.6609 -10.6508 -10.6193 -10.6133 -10.4242 -10.4102 -10.3803 -10.3730 -10.3570 -10.3489 -10.3263 -10.3225 -3.1080 -3.1067 -3.0721 -3.0704 -1.6298 -1.6294 -1.5353 -1.5347 -1.3882 -1.3878 -1.2923 -1.2922 -0.0250 -0.0249 0.0472 0.0479 5.9546 5.9548 6.7185 6.7198 6.8723 6.8749 7.1784 7.1802 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.9658-0.3154 ( 4388 PWs) bands (ev): -26.9187 -26.9187 -26.9151 -26.9151 -15.3344 -15.3342 -15.3190 -15.3187 -10.6679 -10.6571 -10.6238 -10.6177 -10.4245 -10.4150 -10.3927 -10.3755 -10.3647 -10.3578 -10.3283 -10.3236 -3.1389 -3.1377 -3.0191 -3.0182 -1.6319 -1.6304 -1.5461 -1.5446 -1.3945 -1.3932 -1.3571 -1.3554 -0.0005 0.0020 0.0885 0.0912 6.0844 6.0857 6.6380 6.6390 6.8637 6.8679 7.2771 7.2792 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.7032-0.1687 ( 4383 PWs) bands (ev): -26.9208 -26.9208 -26.9160 -26.9160 -15.3348 -15.3344 -15.3225 -15.3221 -10.6655 -10.6474 -10.6142 -10.6031 -10.4229 -10.3991 -10.3805 -10.3682 -10.3605 -10.3427 -10.3195 -10.3155 -3.1850 -3.1836 -2.9790 -2.9783 -1.6694 -1.6681 -1.4591 -1.4578 -1.3924 -1.3912 -1.3379 -1.3363 -0.1081 -0.1054 0.1172 0.1201 6.1893 6.1907 6.5992 6.6006 6.9421 6.9475 7.1140 7.1168 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.7032 0.1467 ( 4381 PWs) bands (ev): -26.9210 -26.9210 -26.9159 -26.9159 -15.3332 -15.3328 -15.3240 -15.3236 -10.6634 -10.6456 -10.6162 -10.6053 -10.4215 -10.3974 -10.3777 -10.3672 -10.3612 -10.3444 -10.3213 -10.3181 -3.1869 -3.1855 -2.9751 -2.9744 -1.6624 -1.6611 -1.4764 -1.4753 -1.3960 -1.3949 -1.3288 -1.3274 -0.1116 -0.1089 0.1250 0.1279 6.2902 6.2918 6.5336 6.5354 6.8819 6.8872 7.0940 7.0967 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.7032 0.4622 ( 4388 PWs) bands (ev): -26.9199 -26.9199 -26.9156 -26.9156 -15.3366 -15.3364 -15.3188 -15.3187 -10.6612 -10.6535 -10.6203 -10.6126 -10.4260 -10.4152 -10.3783 -10.3668 -10.3550 -10.3476 -10.3257 -10.3243 -3.1355 -3.1346 -3.0279 -3.0274 -1.6794 -1.6789 -1.5178 -1.5169 -1.3827 -1.3820 -1.3067 -1.3066 -0.0442 -0.0432 0.0963 0.0980 6.0447 6.0455 6.6763 6.6777 6.8963 6.8972 7.1162 7.1175 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.7032 0.7776 ( 4392 PWs) bands (ev): -26.9183 -26.9183 -26.9155 -26.9155 -15.3349 -15.3346 -15.3186 -15.3182 -10.6631 -10.6559 -10.6259 -10.6187 -10.4266 -10.4211 -10.3791 -10.3713 -10.3616 -10.3476 -10.3423 -10.3361 -3.0896 -3.0877 -3.0713 -3.0701 -1.6403 -1.6392 -1.5132 -1.5127 -1.4269 -1.4249 -1.3477 -1.3464 0.0191 0.0218 0.0716 0.0740 6.1129 6.1145 6.6993 6.7007 6.9306 6.9346 7.1294 7.1317 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.7032-1.1150 ( 4387 PWs) bands (ev): -26.9169 -26.9169 -26.9160 -26.9160 -15.3271 -15.3267 -15.3254 -15.3249 -10.6593 -10.6550 -10.6278 -10.6247 -10.4143 -10.4102 -10.3916 -10.3867 -10.3641 -10.3565 -10.3463 -10.3418 -3.0969 -3.0956 -3.0582 -3.0570 -1.5533 -1.5515 -1.5257 -1.5235 -1.4424 -1.4405 -1.4341 -1.4311 0.0390 0.0427 0.0665 0.0702 6.3895 6.3916 6.4818 6.4837 7.0364 7.0389 7.1486 7.1501 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.7032-0.7996 ( 4394 PWs) bands (ev): -26.9177 -26.9177 -26.9160 -26.9160 -15.3368 -15.3365 -15.3166 -15.3163 -10.6662 -10.6601 -10.6233 -10.6137 -10.4280 -10.4232 -10.3838 -10.3755 -10.3576 -10.3484 -10.3366 -10.3324 -3.1072 -3.1063 -3.0573 -3.0566 -1.6525 -1.6514 -1.4886 -1.4882 -1.4235 -1.4222 -1.3481 -1.3464 0.0033 0.0060 0.0742 0.0767 6.0083 6.0098 6.7801 6.7819 6.9567 6.9576 7.1665 7.1678 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2857-0.7032-0.4841 ( 4390 PWs) bands (ev): -26.9195 -26.9195 -26.9160 -26.9160 -15.3394 -15.3393 -15.3160 -15.3159 -10.6676 -10.6588 -10.6142 -10.6075 -10.4314 -10.4201 -10.3771 -10.3690 -10.3548 -10.3476 -10.3196 -10.3184 -3.1421 -3.1413 -3.0274 -3.0271 -1.6912 -1.6907 -1.4947 -1.4937 -1.3789 -1.3780 -1.3024 -1.3023 -0.0493 -0.0485 0.0861 0.0876 5.9182 5.9188 6.7578 6.7597 6.9793 6.9839 7.1195 7.1220 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.6609-0.5061 ( 4391 PWs) bands (ev): -26.9189 -26.9189 -26.9166 -26.9166 -15.3409 -15.3407 -15.3146 -15.3144 -10.6697 -10.6601 -10.6113 -10.6057 -10.4330 -10.4208 -10.3768 -10.3727 -10.3536 -10.3486 -10.3175 -10.3158 -3.1392 -3.1389 -3.0385 -3.0383 -1.6819 -1.6814 -1.4888 -1.4882 -1.3774 -1.3769 -1.2953 -1.2952 -0.0460 -0.0457 0.0652 0.0662 5.8508 5.8512 6.8193 6.8213 6.9142 6.9171 7.2099 7.2108 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.6609-0.1907 ( 4379 PWs) bands (ev): -26.9202 -26.9202 -26.9167 -26.9167 -15.3355 -15.3351 -15.3218 -15.3214 -10.6633 -10.6462 -10.6142 -10.6029 -10.4202 -10.3973 -10.3818 -10.3703 -10.3583 -10.3431 -10.3232 -10.3184 -3.1662 -3.1649 -3.0075 -3.0067 -1.6466 -1.6456 -1.4503 -1.4492 -1.3927 -1.3919 -1.3491 -1.3471 -0.0876 -0.0850 0.0828 0.0855 6.1243 6.1257 6.6613 6.6624 6.9585 6.9633 7.1385 7.1410 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.6609 0.1247 ( 4383 PWs) bands (ev): -26.9206 -26.9206 -26.9163 -26.9163 -15.3318 -15.3313 -15.3256 -15.3252 -10.6577 -10.6425 -10.6183 -10.6090 -10.4170 -10.3938 -10.3725 -10.3698 -10.3586 -10.3486 -10.3274 -10.3246 -3.1718 -3.1705 -2.9974 -2.9967 -1.6248 -1.6236 -1.4962 -1.4955 -1.4032 -1.4019 -1.3257 -1.3242 -0.0990 -0.0963 0.1036 0.1064 6.3454 6.3476 6.5072 6.5094 6.8494 6.8548 7.0775 7.0803 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.6609 0.4402 ( 4397 PWs) bands (ev): -26.9199 -26.9199 -26.9156 -26.9156 -15.3344 -15.3341 -15.3212 -15.3211 -10.6539 -10.6475 -10.6260 -10.6187 -10.4197 -10.4093 -10.3801 -10.3713 -10.3505 -10.3487 -10.3322 -10.3292 -3.1224 -3.1217 -3.0415 -3.0412 -1.6451 -1.6448 -1.5500 -1.5496 -1.3873 -1.3872 -1.3046 -1.3046 -0.0356 -0.0345 0.0893 0.0909 6.1494 6.1501 6.5953 6.5964 6.8095 6.8103 7.1381 7.1396 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.6609-1.4524 ( 4398 PWs) bands (ev): -26.9187 -26.9187 -26.9150 -26.9150 -15.3327 -15.3325 -15.3207 -15.3204 -10.6624 -10.6524 -10.6260 -10.6240 -10.4235 -10.4184 -10.3767 -10.3749 -10.3641 -10.3561 -10.3381 -10.3329 -3.1082 -3.1070 -3.0478 -3.0470 -1.6187 -1.6170 -1.5552 -1.5549 -1.4158 -1.4140 -1.3508 -1.3497 0.0237 0.0263 0.0764 0.0790 6.2240 6.2257 6.5941 6.5957 6.8295 6.8350 7.1909 7.1937 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.6609-1.1370 ( 4393 PWs) bands (ev): -26.9177 -26.9177 -26.9153 -26.9153 -15.3286 -15.3282 -15.3238 -15.3234 -10.6660 -10.6558 -10.6277 -10.6206 -10.4190 -10.4097 -10.3942 -10.3826 -10.3707 -10.3556 -10.3413 -10.3349 -3.1303 -3.1288 -3.0217 -3.0206 -1.5835 -1.5822 -1.5124 -1.5104 -1.4434 -1.4423 -1.4217 -1.4185 0.0165 0.0202 0.0932 0.0970 6.3176 6.3196 6.5635 6.5648 6.9225 6.9264 7.2334 7.2354 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.6609-0.8216 ( 4394 PWs) bands (ev): -26.9177 -26.9177 -26.9161 -26.9161 -15.3374 -15.3371 -15.3160 -15.3157 -10.6688 -10.6624 -10.6211 -10.6120 -10.4277 -10.4227 -10.3892 -10.3781 -10.3581 -10.3525 -10.3293 -10.3267 -3.1286 -3.1277 -3.0370 -3.0362 -1.6556 -1.6545 -1.4930 -1.4918 -1.4059 -1.4053 -1.3521 -1.3499 -0.0091 -0.0065 0.0798 0.0824 5.9619 5.9634 6.8011 6.8026 6.8982 6.9022 7.2618 7.2627 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.3984-0.6749 ( 4392 PWs) bands (ev): -26.9184 -26.9184 -26.9170 -26.9170 -15.3369 -15.3367 -15.3198 -15.3193 -10.6630 -10.6471 -10.6187 -10.6098 -10.4241 -10.4058 -10.3805 -10.3743 -10.3537 -10.3439 -10.3261 -10.3222 -3.1043 -3.1037 -3.0140 -3.0132 -1.6522 -1.6509 -1.5203 -1.5193 -1.3802 -1.3791 -1.3303 -1.3275 -0.0815 -0.0793 0.0282 0.0303 5.8560 5.8571 6.5165 6.5173 6.8562 6.8583 7.1460 7.1477 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.3984-0.3594 ( 4383 PWs) bands (ev): -26.9215 -26.9215 -26.9188 -26.9188 -15.3385 -15.3382 -15.3241 -15.3238 -10.6513 -10.6293 -10.6053 -10.5950 -10.4118 -10.3821 -10.3609 -10.3583 -10.3470 -10.3357 -10.3140 -10.3074 -3.1341 -3.1332 -3.0126 -3.0122 -1.6306 -1.6298 -1.4594 -1.4582 -1.3532 -1.3518 -1.2971 -1.2966 -0.1822 -0.1818 -0.0076 -0.0057 5.9454 5.9462 6.5615 6.5624 6.8024 6.8037 7.0014 7.0032 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.3984-0.0440 ( 4386 PWs) bands (ev): -26.9233 -26.9233 -26.9192 -26.9192 -15.3334 -15.3331 -15.3319 -15.3314 -10.6373 -10.6223 -10.6011 -10.5945 -10.3937 -10.3739 -10.3526 -10.3486 -10.3409 -10.3283 -10.3170 -10.3123 -3.1731 -3.1719 -2.9832 -2.9826 -1.5942 -1.5935 -1.4274 -1.4264 -1.3676 -1.3665 -1.2889 -1.2875 -0.2705 -0.2688 0.0136 0.0157 6.2351 6.2362 6.4681 6.4700 6.6854 6.6876 6.9385 6.9414 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.3984 0.2714 ( 4385 PWs) bands (ev): -26.9224 -26.9224 -26.9178 -26.9178 -15.3357 -15.3352 -15.3269 -15.3268 -10.6429 -10.6273 -10.6123 -10.6005 -10.4073 -10.3803 -10.3603 -10.3511 -10.3432 -10.3364 -10.3229 -10.3137 -3.1572 -3.1564 -2.9850 -2.9847 -1.6042 -1.6039 -1.4803 -1.4798 -1.3860 -1.3858 -1.2728 -1.2726 -0.2349 -0.2344 0.0456 0.0475 6.2508 6.2521 6.3905 6.3928 6.6170 6.6199 6.9486 6.9524 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.3984-1.6212 ( 4387 PWs) bands (ev): -26.9198 -26.9198 -26.9156 -26.9156 -15.3341 -15.3338 -15.3226 -15.3222 -10.6617 -10.6452 -10.6213 -10.6132 -10.4246 -10.4102 -10.3732 -10.3633 -10.3563 -10.3438 -10.3311 -10.3252 -3.0810 -3.0800 -3.0302 -3.0295 -1.6463 -1.6451 -1.5155 -1.5153 -1.4112 -1.4098 -1.3378 -1.3365 -0.0857 -0.0835 0.0555 0.0579 6.1608 6.1623 6.3579 6.3591 6.7278 6.7330 7.0798 7.0842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.3984-1.3057 ( 4381 PWs) bands (ev): -26.9173 -26.9173 -26.9141 -26.9141 -15.3313 -15.3311 -15.3204 -15.3200 -10.6750 -10.6622 -10.6268 -10.6235 -10.4308 -10.4254 -10.3849 -10.3775 -10.3658 -10.3589 -10.3417 -10.3349 -3.0857 -3.0841 -3.0015 -3.0006 -1.6709 -1.6693 -1.4930 -1.4914 -1.4585 -1.4564 -1.4078 -1.4059 0.0290 0.0322 0.0490 0.0527 6.0338 6.0350 6.5108 6.5135 6.9055 6.9094 7.1475 7.1507 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.3984-0.9903 ( 4377 PWs) bands (ev): -26.9166 -26.9166 -26.9148 -26.9148 -15.3297 -15.3295 -15.3221 -15.3215 -10.6694 -10.6579 -10.6313 -10.6257 -10.4214 -10.4160 -10.4006 -10.3864 -10.3643 -10.3573 -10.3406 -10.3367 -3.0986 -3.0973 -2.9900 -2.9891 -1.6448 -1.6433 -1.5466 -1.5447 -1.4314 -1.4286 -1.3975 -1.3932 -0.0049 -0.0014 0.0711 0.0745 5.9271 5.9284 6.6397 6.6422 6.8545 6.8567 7.1924 7.1938 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.1358-0.8436 ( 4390 PWs) bands (ev): -26.9173 -26.9173 -26.9161 -26.9161 -15.3327 -15.3324 -15.3232 -15.3227 -10.6635 -10.6457 -10.6280 -10.6165 -10.4190 -10.4024 -10.3871 -10.3800 -10.3555 -10.3490 -10.3334 -10.3277 -3.0689 -3.0680 -2.9712 -2.9709 -1.6631 -1.6625 -1.5636 -1.5623 -1.3787 -1.3741 -1.3511 -1.3451 -0.1068 -0.1045 -0.0050 -0.0030 5.5525 5.5531 6.5392 6.5412 6.8594 6.8613 7.0493 7.0518 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.1358-0.5281 ( 4373 PWs) bands (ev): -26.9207 -26.9207 -26.9198 -26.9198 -15.3359 -15.3355 -15.3287 -15.3282 -10.6407 -10.6257 -10.6054 -10.5983 -10.3988 -10.3755 -10.3660 -10.3547 -10.3401 -10.3256 -10.3187 -10.3107 -3.0845 -3.0838 -3.0038 -3.0037 -1.5691 -1.5681 -1.5058 -1.5049 -1.3566 -1.3549 -1.3086 -1.3066 -0.2236 -0.2223 -0.0854 -0.0835 5.7560 5.7566 6.3159 6.3172 6.7763 6.7774 6.9292 6.9316 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.1358-0.2127 ( 4387 PWs) bands (ev): -26.9244 -26.9244 -26.9219 -26.9219 -15.3373 -15.3370 -15.3340 -15.3337 -10.6192 -10.6038 -10.5952 -10.5875 -10.3756 -10.3567 -10.3472 -10.3373 -10.3220 -10.3130 -10.3057 -10.2977 -3.1309 -3.1301 -2.9954 -2.9950 -1.5200 -1.5197 -1.4394 -1.4382 -1.3116 -1.3098 -1.2928 -1.2910 -0.3566 -0.3562 -0.1184 -0.1169 6.0181 6.0190 6.2614 6.2620 6.6916 6.6924 6.7979 6.8002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.1358 0.1027 ( 4384 PWs) bands (ev): -26.9250 -26.9250 -26.9213 -26.9213 -15.3388 -15.3384 -15.3324 -15.3323 -10.6173 -10.6055 -10.5964 -10.5877 -10.3775 -10.3556 -10.3455 -10.3392 -10.3188 -10.3134 -10.3050 -10.2989 -3.1554 -3.1548 -2.9680 -2.9675 -1.5150 -1.5148 -1.4357 -1.4350 -1.3600 -1.3592 -1.2450 -1.2445 -0.4014 -0.4007 -0.0837 -0.0824 6.1137 6.1143 6.2774 6.2792 6.5125 6.5139 6.8241 6.8266 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.1358-1.7899 ( 4382 PWs) bands (ev): -26.9223 -26.9223 -26.9182 -26.9182 -15.3353 -15.3348 -15.3293 -15.3289 -10.6450 -10.6253 -10.6056 -10.5961 -10.4064 -10.3780 -10.3618 -10.3520 -10.3392 -10.3214 -10.3182 -10.3112 -3.0993 -3.0987 -2.9804 -2.9801 -1.5849 -1.5843 -1.4763 -1.4755 -1.3987 -1.3973 -1.3004 -1.2992 -0.2610 -0.2598 -0.0368 -0.0348 5.8792 5.8800 6.4202 6.4222 6.5567 6.5584 6.8881 6.8917 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.1358-1.4744 ( 4387 PWs) bands (ev): -26.9185 -26.9185 -26.9149 -26.9149 -15.3356 -15.3353 -15.3203 -15.3198 -10.6755 -10.6552 -10.6188 -10.6087 -10.4340 -10.4146 -10.3742 -10.3681 -10.3566 -10.3429 -10.3312 -10.3271 -3.0337 -3.0325 -3.0000 -2.9995 -1.7130 -1.7121 -1.5058 -1.5051 -1.4059 -1.4044 -1.3542 -1.3517 -0.0773 -0.0752 -0.0148 -0.0124 5.6263 5.6271 6.5985 6.6020 6.7718 6.7778 6.9784 6.9829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.1358-1.1590 ( 4369 PWs) bands (ev): -26.9164 -26.9164 -26.9138 -26.9138 -15.3350 -15.3348 -15.3168 -15.3165 -10.6790 -10.6721 -10.6237 -10.6216 -10.4345 -10.4289 -10.3855 -10.3781 -10.3610 -10.3571 -10.3379 -10.3367 -3.0636 -3.0625 -2.9543 -2.9540 -1.7542 -1.7532 -1.5347 -1.5336 -1.3967 -1.3937 -1.3696 -1.3651 -0.0360 -0.0333 0.0177 0.0201 5.4965 5.4971 6.6897 6.6932 6.9504 6.9515 7.0157 7.0171 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286 0.1268-1.0123 ( 4397 PWs) bands (ev): -26.9167 -26.9167 -26.9145 -26.9145 -15.3375 -15.3373 -15.3162 -15.3160 -10.6784 -10.6678 -10.6225 -10.6141 -10.4347 -10.4234 -10.3772 -10.3746 -10.3647 -10.3560 -10.3302 -10.3280 -3.0566 -3.0565 -2.9441 -2.9441 -1.7611 -1.7611 -1.5477 -1.5476 -1.3623 -1.3620 -1.3324 -1.3324 -0.0967 -0.0964 -0.0131 -0.0125 5.3001 5.3003 6.7084 6.7088 6.9458 6.9459 6.9569 6.9572 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286 0.1268-0.6969 ( 4383 PWs) bands (ev): -26.9193 -26.9193 -26.9182 -26.9182 -15.3347 -15.3343 -15.3269 -15.3265 -10.6514 -10.6334 -10.6155 -10.6022 -10.4071 -10.3874 -10.3729 -10.3647 -10.3465 -10.3349 -10.3212 -10.3161 -3.0494 -3.0491 -2.9912 -2.9910 -1.6180 -1.6180 -1.5299 -1.5299 -1.3625 -1.3612 -1.3185 -1.3183 -0.1766 -0.1754 -0.1003 -0.0992 5.4901 5.4907 6.4455 6.4478 6.8188 6.8216 6.9134 6.9136 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286 0.1268-0.3814 ( 4394 PWs) bands (ev): -26.9228 -26.9228 -26.9226 -26.9226 -15.3356 -15.3354 -15.3352 -15.3350 -10.6173 -10.6136 -10.5917 -10.5903 -10.3719 -10.3680 -10.3472 -10.3402 -10.3211 -10.3138 -10.3022 -10.3010 -3.0682 -3.0677 -3.0270 -3.0269 -1.4995 -1.4995 -1.4695 -1.4686 -1.3428 -1.3409 -1.2860 -1.2855 -0.2909 -0.2899 -0.2003 -0.1988 5.7958 5.7961 6.2487 6.2499 6.7063 6.7083 6.7712 6.7713 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286 0.1268-0.0660 ( 4383 PWs) bands (ev): -26.9253 -26.9253 -26.9236 -26.9236 -15.3389 -15.3389 -15.3359 -15.3359 -10.5957 -10.5941 -10.5928 -10.5914 -10.3531 -10.3492 -10.3445 -10.3409 -10.3021 -10.3012 -10.2950 -10.2942 -3.1089 -3.1085 -3.0105 -3.0101 -1.4604 -1.4602 -1.4566 -1.4564 -1.3030 -1.3027 -1.2650 -1.2647 -0.3837 -0.3834 -0.2104 -0.2102 6.0822 6.0822 6.0953 6.0954 6.6209 6.6211 6.7388 6.7389 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286 0.1268-1.9586 ( 4392 PWs) bands (ev): -26.9241 -26.9241 -26.9213 -26.9213 -15.3368 -15.3365 -15.3341 -15.3338 -10.6211 -10.6105 -10.5922 -10.5893 -10.3792 -10.3612 -10.3468 -10.3433 -10.3205 -10.3115 -10.3035 -10.2988 -3.1015 -3.1012 -2.9882 -2.9879 -1.5057 -1.5053 -1.4605 -1.4600 -1.3721 -1.3705 -1.2672 -1.2665 -0.3374 -0.3365 -0.1519 -0.1506 5.8428 5.8431 6.2853 6.2874 6.5871 6.5900 6.7927 6.7928 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286 0.1268-1.6432 ( 4379 PWs) bands (ev): -26.9203 -26.9203 -26.9171 -26.9171 -15.3357 -15.3354 -15.3258 -15.3253 -10.6592 -10.6356 -10.6113 -10.5980 -10.4177 -10.3892 -10.3676 -10.3624 -10.3465 -10.3306 -10.3191 -10.3158 -3.0245 -3.0239 -3.0083 -3.0083 -1.6487 -1.6483 -1.5027 -1.5024 -1.3869 -1.3857 -1.3152 -1.3150 -0.1673 -0.1670 -0.0932 -0.0913 5.5338 5.5345 6.5219 6.5253 6.7512 6.7554 6.8551 6.8559 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286 0.1268-1.3277 ( 4385 PWs) bands (ev): -26.9170 -26.9170 -26.9141 -26.9141 -15.3384 -15.3383 -15.3152 -15.3150 -10.6835 -10.6713 -10.6184 -10.6115 -10.4397 -10.4267 -10.3751 -10.3715 -10.3610 -10.3554 -10.3292 -10.3277 -3.0459 -3.0458 -2.9517 -2.9513 -1.7794 -1.7792 -1.5315 -1.5312 -1.3725 -1.3720 -1.3316 -1.3316 -0.0697 -0.0686 -0.0317 -0.0315 5.3172 5.3176 6.7336 6.7345 6.8970 6.8978 6.9554 6.9566 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.4487 0.0000 ( 4376 PWs) bands (ev): -26.9165 -26.9165 -26.9137 -26.9137 -15.3360 -15.3358 -15.3158 -15.3155 -10.6819 -10.6748 -10.6209 -10.6188 -10.4363 -10.4302 -10.3825 -10.3698 -10.3655 -10.3613 -10.3377 -10.3361 -3.0699 -3.0688 -2.9487 -2.9483 -1.7651 -1.7641 -1.5263 -1.5252 -1.3911 -1.3861 -1.3685 -1.3621 -0.0422 -0.0396 0.0178 0.0201 5.4403 5.4409 6.7324 6.7367 6.9502 6.9516 7.0711 7.0720 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.4487 0.3154 ( 4389 PWs) bands (ev): -26.9180 -26.9180 -26.9154 -26.9154 -15.3346 -15.3344 -15.3213 -15.3208 -10.6708 -10.6510 -10.6220 -10.6111 -10.4272 -10.4085 -10.3767 -10.3734 -10.3596 -10.3480 -10.3320 -10.3270 -3.0548 -3.0539 -2.9836 -2.9832 -1.6932 -1.6925 -1.5332 -1.5322 -1.3855 -1.3819 -1.3502 -1.3454 -0.0698 -0.0672 -0.0375 -0.0358 5.5377 5.5384 6.6039 6.6067 6.8188 6.8226 7.0522 7.0560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.4487 0.6309 ( 4383 PWs) bands (ev): -26.9212 -26.9212 -26.9193 -26.9193 -15.3356 -15.3351 -15.3290 -15.3286 -10.6413 -10.6243 -10.6065 -10.5981 -10.3998 -10.3747 -10.3657 -10.3552 -10.3414 -10.3242 -10.3180 -10.3111 -3.0587 -3.0584 -3.0301 -3.0292 -1.5615 -1.5605 -1.5095 -1.5083 -1.3755 -1.3739 -1.2982 -1.2966 -0.1805 -0.1789 -0.1243 -0.1228 5.7805 5.7811 6.3512 6.3530 6.6923 6.6934 6.9309 6.9342 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.4487 0.9463 ( 4383 PWs) bands (ev): -26.9235 -26.9235 -26.9228 -26.9228 -15.3376 -15.3373 -15.3336 -15.3334 -10.6168 -10.6042 -10.5969 -10.5881 -10.3752 -10.3561 -10.3473 -10.3389 -10.3201 -10.3115 -10.3070 -10.2986 -3.0806 -3.0801 -3.0509 -3.0501 -1.4892 -1.4888 -1.4728 -1.4719 -1.3324 -1.3314 -1.2706 -1.2701 -0.2560 -0.2550 -0.2116 -0.2106 6.0574 6.0580 6.2513 6.2525 6.6496 6.6507 6.7769 6.7793 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.4487-0.9463 ( 4383 PWs) bands (ev): -26.9235 -26.9235 -26.9228 -26.9228 -15.3376 -15.3373 -15.3336 -15.3334 -10.6168 -10.6042 -10.5969 -10.5881 -10.3752 -10.3561 -10.3473 -10.3389 -10.3201 -10.3115 -10.3070 -10.2986 -3.0806 -3.0801 -3.0509 -3.0501 -1.4892 -1.4888 -1.4728 -1.4719 -1.3324 -1.3314 -1.2706 -1.2701 -0.2560 -0.2550 -0.2116 -0.2106 6.0574 6.0580 6.2513 6.2525 6.6496 6.6507 6.7769 6.7793 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.4487-0.6309 ( 4383 PWs) bands (ev): -26.9212 -26.9212 -26.9193 -26.9193 -15.3356 -15.3351 -15.3290 -15.3286 -10.6413 -10.6243 -10.6065 -10.5981 -10.3998 -10.3747 -10.3657 -10.3552 -10.3414 -10.3242 -10.3180 -10.3111 -3.0587 -3.0584 -3.0301 -3.0292 -1.5615 -1.5605 -1.5095 -1.5083 -1.3755 -1.3739 -1.2982 -1.2965 -0.1805 -0.1789 -0.1243 -0.1228 5.7805 5.7811 6.3512 6.3530 6.6923 6.6934 6.9309 6.9342 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.4487-0.3154 ( 4389 PWs) bands (ev): -26.9180 -26.9180 -26.9154 -26.9154 -15.3346 -15.3344 -15.3213 -15.3208 -10.6708 -10.6510 -10.6220 -10.6111 -10.4272 -10.4085 -10.3767 -10.3734 -10.3596 -10.3480 -10.3320 -10.3270 -3.0548 -3.0539 -2.9836 -2.9832 -1.6932 -1.6925 -1.5332 -1.5322 -1.3855 -1.3819 -1.3502 -1.3454 -0.0698 -0.0672 -0.0375 -0.0358 5.5377 5.5384 6.6039 6.6067 6.8188 6.8226 7.0522 7.0560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.1861-0.1687 ( 4369 PWs) bands (ev): -26.9170 -26.9170 -26.9143 -26.9143 -15.3304 -15.3302 -15.3214 -15.3208 -10.6742 -10.6608 -10.6269 -10.6237 -10.4245 -10.4189 -10.3940 -10.3802 -10.3676 -10.3616 -10.3401 -10.3347 -3.1059 -3.1044 -2.9815 -2.9806 -1.6631 -1.6617 -1.5313 -1.5300 -1.4324 -1.4298 -1.3938 -1.3898 -0.0001 0.0034 0.0654 0.0689 5.8788 5.8799 6.6250 6.6282 6.8750 6.8774 7.2696 7.2719 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 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.1861 0.1467 ( 4367 PWs) bands (ev): -26.9173 -26.9173 -26.9140 -26.9140 -15.3310 -15.3309 -15.3207 -15.3202 -10.6764 -10.6626 -10.6251 -10.6228 -10.4282 -10.4226 -10.3881 -10.3744 -10.3701 -10.3624 -10.3403 -10.3339 -3.1012 -3.0996 -2.9855 -2.9846 -1.6731 -1.6715 -1.5135 -1.5124 -1.4389 -1.4371 -1.3995 -1.3963 0.0136 0.0171 0.0569 0.0606 5.9146 5.9157 6.5908 6.5940 6.8812 6.8844 7.2550 7.2578 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.1861 0.4622 ( 4387 PWs) bands (ev): -26.9193 -26.9193 -26.9160 -26.9160 -15.3341 -15.3339 -15.3226 -15.3221 -10.6602 -10.6418 -10.6218 -10.6152 -10.4193 -10.4029 -10.3777 -10.3733 -10.3584 -10.3473 -10.3286 -10.3229 -3.0767 -3.0755 -3.0415 -3.0400 -1.6105 -1.6092 -1.5527 -1.5516 -1.3961 -1.3949 -1.3325 -1.3304 -0.0651 -0.0630 0.0193 0.0213 5.9953 5.9961 6.4352 6.4368 6.7522 6.7563 7.1554 7.1592 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.1861 0.7776 ( 4380 PWs) bands (ev): -26.9214 -26.9214 -26.9188 -26.9188 -15.3370 -15.3366 -15.3256 -15.3254 -10.6421 -10.6249 -10.6131 -10.6006 -10.4045 -10.3767 -10.3622 -10.3569 -10.3450 -10.3363 -10.3227 -10.3133 -3.1206 -3.1201 -3.0343 -3.0336 -1.5469 -1.5461 -1.5214 -1.5209 -1.3814 -1.3809 -1.2733 -1.2729 -0.1771 -0.1767 -0.0227 -0.0213 6.0992 6.0998 6.4472 6.4490 6.6832 6.6853 6.9909 6.9943 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.1861-1.1150 ( 4387 PWs) bands (ev): -26.9220 -26.9220 -26.9205 -26.9205 -15.3329 -15.3326 -15.3323 -15.3319 -10.6305 -10.6247 -10.6004 -10.5976 -10.3861 -10.3787 -10.3506 -10.3488 -10.3352 -10.3271 -10.3240 -10.3189 -3.1184 -3.1174 -3.0512 -3.0504 -1.5324 -1.5323 -1.4734 -1.4729 -1.3430 -1.3417 -1.3149 -1.3134 -0.1810 -0.1793 -0.0792 -0.0774 6.2742 6.2751 6.3626 6.3638 6.7940 6.7964 6.8961 6.8988 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.1861-0.7996 ( 4388 PWs) bands (ev): -26.9206 -26.9206 -26.9197 -26.9197 -15.3382 -15.3378 -15.3244 -15.3242 -10.6464 -10.6260 -10.6095 -10.5978 -10.4068 -10.3775 -10.3613 -10.3600 -10.3475 -10.3369 -10.3182 -10.3103 -3.0941 -3.0936 -3.0631 -3.0618 -1.5767 -1.5762 -1.4943 -1.4936 -1.3672 -1.3663 -1.2833 -1.2829 -0.1213 -0.1209 -0.0787 -0.0771 5.9862 5.9868 6.5010 6.5020 6.7622 6.7637 7.0167 7.0194 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-1.1861-0.4841 ( 4401 PWs) bands (ev): -26.9186 -26.9186 -26.9168 -26.9168 -15.3355 -15.3353 -15.3212 -15.3207 -10.6607 -10.6432 -10.6199 -10.6139 -10.4189 -10.3995 -10.3825 -10.3780 -10.3571 -10.3472 -10.3267 -10.3217 -3.0911 -3.0903 -3.0300 -3.0288 -1.6164 -1.6147 -1.5508 -1.5491 -1.3836 -1.3822 -1.3291 -1.3264 -0.0576 -0.0553 0.0014 0.0031 5.8872 5.8881 6.4677 6.4689 6.8205 6.8232 7.1848 7.1874 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.9235-0.3374 ( 4392 PWs) bands (ev): -26.9182 -26.9182 -26.9155 -26.9155 -15.3365 -15.3362 -15.3169 -15.3166 -10.6695 -10.6612 -10.6212 -10.6138 -10.4266 -10.4190 -10.3927 -10.3779 -10.3614 -10.3553 -10.3267 -10.3232 -3.1398 -3.1387 -3.0230 -3.0221 -1.6493 -1.6482 -1.5140 -1.5124 -1.3949 -1.3939 -1.3561 -1.3538 -0.0103 -0.0077 0.0857 0.0883 5.9890 5.9904 6.7225 6.7235 6.8967 6.9012 7.2930 7.2946 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.9235-0.0220 ( 4372 PWs) bands (ev): -26.9182 -26.9182 -26.9146 -26.9146 -15.3297 -15.3293 -15.3227 -15.3223 -10.6715 -10.6586 -10.6261 -10.6176 -10.4226 -10.4118 -10.3956 -10.3817 -10.3721 -10.3545 -10.3355 -10.3296 -3.1526 -3.1510 -2.9954 -2.9943 -1.6063 -1.6052 -1.5115 -1.5103 -1.4415 -1.4406 -1.4083 -1.4060 0.0021 0.0058 0.1129 0.1167 6.2774 6.2791 6.5973 6.5988 6.8540 6.8581 7.2948 7.2970 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.9235 0.2934 ( 4385 PWs) bands (ev): -26.9188 -26.9188 -26.9149 -26.9149 -15.3324 -15.3322 -15.3210 -15.3206 -10.6648 -10.6527 -10.6264 -10.6221 -10.4225 -10.4153 -10.3862 -10.3744 -10.3650 -10.3592 -10.3329 -10.3273 -3.1273 -3.1261 -3.0277 -3.0268 -1.6056 -1.6020 -1.5798 -1.5771 -1.4027 -1.4011 -1.3549 -1.3537 0.0139 0.0164 0.0850 0.0878 6.2082 6.2096 6.5680 6.5696 6.8178 6.8226 7.2411 7.2437 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.9235 0.6089 ( 4394 PWs) bands (ev): -26.9196 -26.9196 -26.9159 -26.9159 -15.3353 -15.3351 -15.3203 -15.3202 -10.6541 -10.6455 -10.6258 -10.6192 -10.4186 -10.4066 -10.3805 -10.3750 -10.3543 -10.3468 -10.3328 -10.3277 -3.1074 -3.1070 -3.0637 -3.0631 -1.6094 -1.6087 -1.5714 -1.5707 -1.3905 -1.3902 -1.2982 -1.2981 -0.0276 -0.0269 0.0680 0.0693 6.0889 6.0892 6.6338 6.6345 6.8196 6.8205 7.1447 7.1461 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.9235-1.2837 ( 4386 PWs) bands (ev): -26.9199 -26.9199 -26.9170 -26.9170 -15.3321 -15.3316 -15.3253 -15.3249 -10.6513 -10.6417 -10.6180 -10.6123 -10.4121 -10.3918 -10.3740 -10.3636 -10.3587 -10.3505 -10.3357 -10.3304 -3.1416 -3.1405 -3.0383 -3.0376 -1.5683 -1.5674 -1.5230 -1.5225 -1.4066 -1.4051 -1.3302 -1.3284 -0.0705 -0.0679 0.0600 0.0627 6.2843 6.2860 6.5258 6.5269 6.9227 6.9266 7.0834 7.0858 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.9235-0.9683 ( 4386 PWs) bands (ev): -26.9193 -26.9193 -26.9176 -26.9176 -15.3351 -15.3347 -15.3222 -15.3219 -10.6578 -10.6432 -10.6164 -10.6053 -10.4147 -10.3945 -10.3797 -10.3717 -10.3556 -10.3444 -10.3314 -10.3251 -3.1325 -3.1315 -3.0509 -3.0500 -1.6058 -1.6051 -1.4668 -1.4663 -1.3941 -1.3930 -1.3522 -1.3502 -0.0510 -0.0486 0.0329 0.0356 6.1228 6.1241 6.6488 6.6500 6.9780 6.9808 7.1520 7.1539 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4286-0.9235-0.6529 ( 4388 PWs) bands (ev): -26.9186 -26.9186 -26.9169 -26.9169 -15.3404 -15.3402 -15.3151 -15.3149 -10.6671 -10.6570 -10.6131 -10.6079 -10.4303 -10.4169 -10.3778 -10.3737 -10.3547 -10.3497 -10.3201 -10.3175 -3.1263 -3.1258 -3.0560 -3.0552 -1.6590 -1.6586 -1.5023 -1.5020 -1.3814 -1.3811 -1.2910 -1.2909 -0.0343 -0.0341 0.0469 0.0475 5.8640 5.8643 6.8004 6.8032 6.8792 6.8825 7.2286 7.2301 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 the Fermi energy is 3.0619 ev ! total energy = -183.40974182 Ry Harris-Foulkes estimate = -183.40974173 Ry estimated scf accuracy < 2.7E-09 Ry The total energy is the sum of the following terms: one-electron contribution = -81.44543271 Ry hartree contribution = 51.90379623 Ry xc contribution = -43.06385398 Ry ewald contribution = -110.80425136 Ry smearing contrib. (-TS) = 0.00000000 Ry convergence has been achieved in 11 iterations Writing output data file KCN.save init_run : 33.84s CPU 43.57s WALL ( 1 calls) electrons : 835.32s CPU 843.20s WALL ( 1 calls) Called by init_run: wfcinit : 29.02s CPU 30.66s WALL ( 1 calls) potinit : 0.68s CPU 2.28s WALL ( 1 calls) Called by electrons: c_bands : 643.55s CPU 647.71s WALL ( 11 calls) sum_band : 188.36s CPU 189.99s WALL ( 11 calls) v_of_rho : 0.53s CPU 1.41s WALL ( 12 calls) v_h : 0.11s CPU 0.16s WALL ( 12 calls) v_xc : 0.41s CPU 0.93s WALL ( 12 calls) newd : 2.63s CPU 2.87s WALL ( 12 calls) mix_rho : 0.32s CPU 1.33s WALL ( 11 calls) Called by c_bands: init_us_2 : 0.88s CPU 1.41s WALL ( 3956 calls) cegterg : 629.29s CPU 633.19s WALL ( 1892 calls) Called by sum_band: sum_band:bec : 4.21s CPU 4.98s WALL ( 1892 calls) addusdens : 1.06s CPU 1.07s WALL ( 11 calls) Called by *egterg: h_psi : 539.36s CPU 544.97s WALL ( 6228 calls) s_psi : 17.81s CPU 17.83s WALL ( 6228 calls) g_psi : 0.34s CPU 0.38s WALL ( 4164 calls) cdiaghg : 49.31s CPU 49.06s WALL ( 6056 calls) cegterg:over : 21.55s CPU 20.15s WALL ( 4164 calls) cegterg:upda : 2.65s CPU 4.18s WALL ( 4164 calls) cegterg:last : 1.55s CPU 2.24s WALL ( 1892 calls) Called by h_psi: h_psi:vloc : 501.16s CPU 505.44s WALL ( 6228 calls) h_psi:vnl : 37.89s CPU 38.98s WALL ( 6228 calls) add_vuspsi : 11.42s CPU 13.91s WALL ( 6228 calls) General routines calbec : 36.67s CPU 34.62s WALL ( 8120 calls) fft : 1.89s CPU 2.96s WALL ( 356 calls) ffts : 0.08s CPU 0.13s WALL ( 92 calls) fftw : 550.94s CPU 553.36s WALL ( 1036524 calls) interpolate : 0.40s CPU 0.47s WALL ( 92 calls) Parallel routines fft_scatter : 281.64s CPU 280.88s WALL ( 1036972 calls) PWSCF : 14m51.31s CPU 15m43.24s WALL This run was terminated on: 19: 3:48 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=