Program PWSCF v.5.1.1 starts on 25May2015 at 18:30:55 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 Atomic positions and unit cell read from directory: ./BaSb2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 32 20 6 1860 916 145 Max 33 21 7 1869 936 151 Sum 1557 979 289 89413 44471 7107 bravais-lattice index = 14 lattice parameter (alat) = 8.2326 a.u. unit-cell volume = 1406.1189 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.232591 celldm(2)= 1.188224 celldm(3)= 2.164742 celldm(4)= 0.200309 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.188224 0.000000 ) a(3) = ( 0.000000 0.433616 2.120869 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.841592 -0.172065 ) b(3) = ( 0.000000 0.000000 0.471505 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 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 1243 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Sb 5.00 121.76000 Sb( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 254 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0000000 0.0130974), wk = 0.0039370 k( 3) = ( 0.0000000 0.0000000 0.0261947), wk = 0.0039370 k( 4) = ( 0.0000000 0.0000000 0.0392921), wk = 0.0039370 k( 5) = ( 0.0000000 0.0000000 0.0523894), wk = 0.0039370 k( 6) = ( 0.0000000 0.0000000 0.0654868), wk = 0.0039370 k( 7) = ( 0.0000000 0.0000000 0.0785841), wk = 0.0039370 k( 8) = ( 0.0000000 0.0000000 0.0916815), wk = 0.0039370 k( 9) = ( 0.0000000 0.0000000 0.1047788), wk = 0.0039370 k( 10) = ( 0.0000000 0.0000000 0.1178762), wk = 0.0039370 k( 11) = ( 0.0000000 0.0000000 0.1309736), wk = 0.0039370 k( 12) = ( 0.0000000 0.0000000 0.1440709), wk = 0.0039370 k( 13) = ( 0.0000000 0.0000000 0.1571683), wk = 0.0039370 k( 14) = ( 0.0000000 0.0000000 0.1702656), wk = 0.0039370 k( 15) = ( 0.0000000 0.0000000 0.1833630), wk = 0.0039370 k( 16) = ( 0.0000000 0.0000000 0.1964603), wk = 0.0039370 k( 17) = ( 0.0000000 0.0000000 0.2095577), wk = 0.0039370 k( 18) = ( 0.0000000 0.0000000 0.2226550), wk = 0.0039370 k( 19) = ( 0.0000000 0.0000000 0.2357524), wk = 0.0039370 k( 20) = ( 0.0000000 0.0000000 0.2357524), wk = 0.0039370 k( 21) = ( 0.0000000 0.0134547 0.2357524), wk = 0.0039370 k( 22) = ( 0.0000000 0.0269093 0.2357524), wk = 0.0039370 k( 23) = ( 0.0000000 0.0403640 0.2357524), wk = 0.0039370 k( 24) = ( 0.0000000 0.0538187 0.2357524), wk = 0.0039370 k( 25) = ( 0.0000000 0.0672733 0.2357524), wk = 0.0039370 k( 26) = ( 0.0000000 0.0807280 0.2357524), wk = 0.0039370 k( 27) = ( 0.0000000 0.0941827 0.2357524), wk = 0.0039370 k( 28) = ( 0.0000000 0.1076373 0.2357524), wk = 0.0039370 k( 29) = ( 0.0000000 0.1210920 0.2357524), wk = 0.0039370 k( 30) = ( 0.0000000 0.1345467 0.2357524), wk = 0.0039370 k( 31) = ( 0.0000000 0.1480014 0.2357524), wk = 0.0039370 k( 32) = ( 0.0000000 0.1614560 0.2357524), wk = 0.0039370 k( 33) = ( 0.0000000 0.1749107 0.2357524), wk = 0.0039370 k( 34) = ( 0.0000000 0.1883654 0.2357524), wk = 0.0039370 k( 35) = ( 0.0000000 0.2018200 0.2357524), wk = 0.0039370 k( 36) = ( 0.0000000 0.2152747 0.2357524), wk = 0.0039370 k( 37) = ( 0.0000000 0.2287294 0.2357524), wk = 0.0039370 k( 38) = ( 0.0000000 0.2421840 0.2357524), wk = 0.0039370 k( 39) = ( 0.0000000 0.2556387 0.2357524), wk = 0.0039370 k( 40) = ( 0.0000000 0.2690934 0.2357524), wk = 0.0039370 k( 41) = ( 0.0000000 0.2825480 0.2357524), wk = 0.0039370 k( 42) = ( 0.0000000 0.2960027 0.2357524), wk = 0.0039370 k( 43) = ( 0.0000000 0.3094574 0.2357524), wk = 0.0039370 k( 44) = ( 0.0000000 0.3229120 0.2357524), wk = 0.0039370 k( 45) = ( 0.0000000 0.3363667 0.2357524), wk = 0.0039370 k( 46) = ( 0.0000000 0.3498214 0.2357524), wk = 0.0039370 k( 47) = ( 0.0000000 0.3632760 0.2357524), wk = 0.0039370 k( 48) = ( 0.0000000 0.3767307 0.2357524), wk = 0.0039370 k( 49) = ( 0.0000000 0.3901854 0.2357524), wk = 0.0039370 k( 50) = ( 0.0000000 0.3901854 0.2357524), wk = 0.0039370 k( 51) = ( 0.0000000 0.3945583 0.2234620), wk = 0.0039370 k( 52) = ( 0.0000000 0.3989312 0.2111716), wk = 0.0039370 k( 53) = ( 0.0000000 0.4033042 0.1988813), wk = 0.0039370 k( 54) = ( 0.0000000 0.4076771 0.1865909), wk = 0.0039370 k( 55) = ( 0.0000000 0.4120500 0.1743005), wk = 0.0039370 k( 56) = ( 0.0000000 0.4164230 0.1620101), wk = 0.0039370 k( 57) = ( 0.0000000 0.4207959 0.1497198), wk = 0.0039370 k( 58) = ( 0.0000000 0.4207959 0.1497198), wk = 0.0039370 k( 59) = ( 0.0135135 0.4207959 0.1497198), wk = 0.0039370 k( 60) = ( 0.0270270 0.4207959 0.1497198), wk = 0.0039370 k( 61) = ( 0.0405405 0.4207959 0.1497198), wk = 0.0039370 k( 62) = ( 0.0540540 0.4207959 0.1497198), wk = 0.0039370 k( 63) = ( 0.0675676 0.4207959 0.1497198), wk = 0.0039370 k( 64) = ( 0.0810811 0.4207959 0.1497198), wk = 0.0039370 k( 65) = ( 0.0945946 0.4207959 0.1497198), wk = 0.0039370 k( 66) = ( 0.1081081 0.4207959 0.1497198), wk = 0.0039370 k( 67) = ( 0.1216216 0.4207959 0.1497198), wk = 0.0039370 k( 68) = ( 0.1351351 0.4207959 0.1497198), wk = 0.0039370 k( 69) = ( 0.1486486 0.4207959 0.1497198), wk = 0.0039370 k( 70) = ( 0.1621622 0.4207959 0.1497198), wk = 0.0039370 k( 71) = ( 0.1756757 0.4207959 0.1497198), wk = 0.0039370 k( 72) = ( 0.1891892 0.4207959 0.1497198), wk = 0.0039370 k( 73) = ( 0.2027027 0.4207959 0.1497198), wk = 0.0039370 k( 74) = ( 0.2162162 0.4207959 0.1497198), wk = 0.0039370 k( 75) = ( 0.2297297 0.4207959 0.1497198), wk = 0.0039370 k( 76) = ( 0.2432432 0.4207959 0.1497198), wk = 0.0039370 k( 77) = ( 0.2567568 0.4207959 0.1497198), wk = 0.0039370 k( 78) = ( 0.2702703 0.4207959 0.1497198), wk = 0.0039370 k( 79) = ( 0.2837838 0.4207959 0.1497198), wk = 0.0039370 k( 80) = ( 0.2972973 0.4207959 0.1497198), wk = 0.0039370 k( 81) = ( 0.3108108 0.4207959 0.1497198), wk = 0.0039370 k( 82) = ( 0.3243243 0.4207959 0.1497198), wk = 0.0039370 k( 83) = ( 0.3378378 0.4207959 0.1497198), wk = 0.0039370 k( 84) = ( 0.3513514 0.4207959 0.1497198), wk = 0.0039370 k( 85) = ( 0.3648649 0.4207959 0.1497198), wk = 0.0039370 k( 86) = ( 0.3783784 0.4207959 0.1497198), wk = 0.0039370 k( 87) = ( 0.3918919 0.4207959 0.1497198), wk = 0.0039370 k( 88) = ( 0.4054054 0.4207959 0.1497198), wk = 0.0039370 k( 89) = ( 0.4189189 0.4207959 0.1497198), wk = 0.0039370 k( 90) = ( 0.4324324 0.4207959 0.1497198), wk = 0.0039370 k( 91) = ( 0.4459459 0.4207959 0.1497198), wk = 0.0039370 k( 92) = ( 0.4594595 0.4207959 0.1497198), wk = 0.0039370 k( 93) = ( 0.4729730 0.4207959 0.1497198), wk = 0.0039370 k( 94) = ( 0.4864865 0.4207959 0.1497198), wk = 0.0039370 k( 95) = ( 0.5000000 0.4207959 0.1497198), wk = 0.0039370 k( 96) = ( 0.5000000 0.4207959 0.1497198), wk = 0.0039370 k( 97) = ( 0.5000000 0.4251688 0.1374294), wk = 0.0039370 k( 98) = ( 0.5000000 0.4295418 0.1251390), wk = 0.0039370 k( 99) = ( 0.5000000 0.4339147 0.1128486), wk = 0.0039370 k( 100) = ( 0.5000000 0.4382876 0.1005583), wk = 0.0039370 k( 101) = ( 0.5000000 0.4426606 0.0882679), wk = 0.0039370 k( 102) = ( 0.5000000 0.4470335 0.0759775), wk = 0.0039370 k( 103) = ( 0.5000000 0.4514064 0.0636871), wk = 0.0039370 k( 104) = ( 0.5000000 0.4514064 0.0636871), wk = 0.0039370 k( 105) = ( 0.5000000 0.4488556 0.0512105), wk = 0.0039370 k( 106) = ( 0.5000000 0.4463047 0.0387338), wk = 0.0039370 k( 107) = ( 0.5000000 0.4437538 0.0262572), wk = 0.0039370 k( 108) = ( 0.5000000 0.4412029 0.0137805), wk = 0.0039370 k( 109) = ( 0.5000000 0.4386521 0.0013039), wk = 0.0039370 k( 110) = ( 0.5000000 0.4361012 -0.0111728), wk = 0.0039370 k( 111) = ( 0.5000000 0.4335503 -0.0236494), wk = 0.0039370 k( 112) = ( 0.5000000 0.4309994 -0.0361260), wk = 0.0039370 k( 113) = ( 0.5000000 0.4284485 -0.0486027), wk = 0.0039370 k( 114) = ( 0.5000000 0.4258977 -0.0610793), wk = 0.0039370 k( 115) = ( 0.5000000 0.4233468 -0.0735560), wk = 0.0039370 k( 116) = ( 0.5000000 0.4207959 -0.0860326), wk = 0.0039370 k( 117) = ( 0.5000000 0.4207959 -0.0860326), wk = 0.0039370 k( 118) = ( 0.4864865 0.4207959 -0.0860326), wk = 0.0039370 k( 119) = ( 0.4729730 0.4207959 -0.0860326), wk = 0.0039370 k( 120) = ( 0.4594595 0.4207959 -0.0860326), wk = 0.0039370 k( 121) = ( 0.4459459 0.4207959 -0.0860326), wk = 0.0039370 k( 122) = ( 0.4324324 0.4207959 -0.0860326), wk = 0.0039370 k( 123) = ( 0.4189189 0.4207959 -0.0860326), wk = 0.0039370 k( 124) = ( 0.4054054 0.4207959 -0.0860326), wk = 0.0039370 k( 125) = ( 0.3918919 0.4207959 -0.0860326), wk = 0.0039370 k( 126) = ( 0.3783784 0.4207959 -0.0860326), wk = 0.0039370 k( 127) = ( 0.3648649 0.4207959 -0.0860326), wk = 0.0039370 k( 128) = ( 0.3513514 0.4207959 -0.0860326), wk = 0.0039370 k( 129) = ( 0.3378378 0.4207959 -0.0860326), wk = 0.0039370 k( 130) = ( 0.3243243 0.4207959 -0.0860326), wk = 0.0039370 k( 131) = ( 0.3108108 0.4207959 -0.0860326), wk = 0.0039370 k( 132) = ( 0.2972973 0.4207959 -0.0860326), wk = 0.0039370 k( 133) = ( 0.2837838 0.4207959 -0.0860326), wk = 0.0039370 k( 134) = ( 0.2702703 0.4207959 -0.0860326), wk = 0.0039370 k( 135) = ( 0.2567568 0.4207959 -0.0860326), wk = 0.0039370 k( 136) = ( 0.2432432 0.4207959 -0.0860326), wk = 0.0039370 k( 137) = ( 0.2297297 0.4207959 -0.0860326), wk = 0.0039370 k( 138) = ( 0.2162162 0.4207959 -0.0860326), wk = 0.0039370 k( 139) = ( 0.2027027 0.4207959 -0.0860326), wk = 0.0039370 k( 140) = ( 0.1891892 0.4207959 -0.0860326), wk = 0.0039370 k( 141) = ( 0.1756757 0.4207959 -0.0860326), wk = 0.0039370 k( 142) = ( 0.1621622 0.4207959 -0.0860326), wk = 0.0039370 k( 143) = ( 0.1486486 0.4207959 -0.0860326), wk = 0.0039370 k( 144) = ( 0.1351351 0.4207959 -0.0860326), wk = 0.0039370 k( 145) = ( 0.1216216 0.4207959 -0.0860326), wk = 0.0039370 k( 146) = ( 0.1081081 0.4207959 -0.0860326), wk = 0.0039370 k( 147) = ( 0.0945946 0.4207959 -0.0860326), wk = 0.0039370 k( 148) = ( 0.0810811 0.4207959 -0.0860326), wk = 0.0039370 k( 149) = ( 0.0675676 0.4207959 -0.0860326), wk = 0.0039370 k( 150) = ( 0.0540540 0.4207959 -0.0860326), wk = 0.0039370 k( 151) = ( 0.0405405 0.4207959 -0.0860326), wk = 0.0039370 k( 152) = ( 0.0270270 0.4207959 -0.0860326), wk = 0.0039370 k( 153) = ( 0.0135135 0.4207959 -0.0860326), wk = 0.0039370 k( 154) = ( 0.0000000 0.4207959 -0.0860326), wk = 0.0039370 k( 155) = ( 0.0000000 0.4207959 -0.0860326), wk = 0.0039370 k( 156) = ( 0.0000000 0.4233468 -0.0735560), wk = 0.0039370 k( 157) = ( 0.0000000 0.4258977 -0.0610793), wk = 0.0039370 k( 158) = ( 0.0000000 0.4284485 -0.0486027), wk = 0.0039370 k( 159) = ( 0.0000000 0.4309994 -0.0361260), wk = 0.0039370 k( 160) = ( 0.0000000 0.4335503 -0.0236494), wk = 0.0039370 k( 161) = ( 0.0000000 0.4361012 -0.0111728), wk = 0.0039370 k( 162) = ( 0.0000000 0.4386521 0.0013039), wk = 0.0039370 k( 163) = ( 0.0000000 0.4412029 0.0137805), wk = 0.0039370 k( 164) = ( 0.0000000 0.4437538 0.0262572), wk = 0.0039370 k( 165) = ( 0.0000000 0.4463047 0.0387338), wk = 0.0039370 k( 166) = ( 0.0000000 0.4488556 0.0512105), wk = 0.0039370 k( 167) = ( 0.0000000 0.4514064 0.0636871), wk = 0.0039370 k( 168) = ( 0.5000000 0.3901854 0.2357524), wk = 0.0039370 k( 169) = ( 0.5000000 0.3767307 0.2357524), wk = 0.0039370 k( 170) = ( 0.5000000 0.3632760 0.2357524), wk = 0.0039370 k( 171) = ( 0.5000000 0.3498214 0.2357524), wk = 0.0039370 k( 172) = ( 0.5000000 0.3363667 0.2357524), wk = 0.0039370 k( 173) = ( 0.5000000 0.3229120 0.2357524), wk = 0.0039370 k( 174) = ( 0.5000000 0.3094574 0.2357524), wk = 0.0039370 k( 175) = ( 0.5000000 0.2960027 0.2357524), wk = 0.0039370 k( 176) = ( 0.5000000 0.2825480 0.2357524), wk = 0.0039370 k( 177) = ( 0.5000000 0.2690934 0.2357524), wk = 0.0039370 k( 178) = ( 0.5000000 0.2556387 0.2357524), wk = 0.0039370 k( 179) = ( 0.5000000 0.2421840 0.2357524), wk = 0.0039370 k( 180) = ( 0.5000000 0.2287294 0.2357524), wk = 0.0039370 k( 181) = ( 0.5000000 0.2152747 0.2357524), wk = 0.0039370 k( 182) = ( 0.5000000 0.2018200 0.2357524), wk = 0.0039370 k( 183) = ( 0.5000000 0.1883654 0.2357524), wk = 0.0039370 k( 184) = ( 0.5000000 0.1749107 0.2357524), wk = 0.0039370 k( 185) = ( 0.5000000 0.1614560 0.2357524), wk = 0.0039370 k( 186) = ( 0.5000000 0.1480014 0.2357524), wk = 0.0039370 k( 187) = ( 0.5000000 0.1345467 0.2357524), wk = 0.0039370 k( 188) = ( 0.5000000 0.1210920 0.2357524), wk = 0.0039370 k( 189) = ( 0.5000000 0.1076373 0.2357524), wk = 0.0039370 k( 190) = ( 0.5000000 0.0941827 0.2357524), wk = 0.0039370 k( 191) = ( 0.5000000 0.0807280 0.2357524), wk = 0.0039370 k( 192) = ( 0.5000000 0.0672733 0.2357524), wk = 0.0039370 k( 193) = ( 0.5000000 0.0538187 0.2357524), wk = 0.0039370 k( 194) = ( 0.5000000 0.0403640 0.2357524), wk = 0.0039370 k( 195) = ( 0.5000000 0.0269093 0.2357524), wk = 0.0039370 k( 196) = ( 0.5000000 0.0134547 0.2357524), wk = 0.0039370 k( 197) = ( 0.5000000 -0.0000000 0.2357524), wk = 0.0039370 k( 198) = ( 0.5000000 -0.0000000 0.2357524), wk = 0.0039370 k( 199) = ( 0.5000000 -0.0000000 0.2226550), wk = 0.0039370 k( 200) = ( 0.5000000 -0.0000000 0.2095577), wk = 0.0039370 k( 201) = ( 0.5000000 -0.0000000 0.1964603), wk = 0.0039370 k( 202) = ( 0.5000000 -0.0000000 0.1833630), wk = 0.0039370 k( 203) = ( 0.5000000 -0.0000000 0.1702656), wk = 0.0039370 k( 204) = ( 0.5000000 -0.0000000 0.1571683), wk = 0.0039370 k( 205) = ( 0.5000000 -0.0000000 0.1440709), wk = 0.0039370 k( 206) = ( 0.5000000 -0.0000000 0.1309736), wk = 0.0039370 k( 207) = ( 0.5000000 -0.0000000 0.1178762), wk = 0.0039370 k( 208) = ( 0.5000000 -0.0000000 0.1047788), wk = 0.0039370 k( 209) = ( 0.5000000 -0.0000000 0.0916815), wk = 0.0039370 k( 210) = ( 0.5000000 -0.0000000 0.0785841), wk = 0.0039370 k( 211) = ( 0.5000000 -0.0000000 0.0654868), wk = 0.0039370 k( 212) = ( 0.5000000 -0.0000000 0.0523894), wk = 0.0039370 k( 213) = ( 0.5000000 -0.0000000 0.0392921), wk = 0.0039370 k( 214) = ( 0.5000000 -0.0000000 0.0261947), wk = 0.0039370 k( 215) = ( 0.5000000 -0.0000000 0.0130974), wk = 0.0039370 k( 216) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039370 k( 217) = ( 0.0000000 0.0000000 0.2357524), wk = 0.0039370 k( 218) = ( 0.0135135 -0.0000000 0.2357524), wk = 0.0039370 k( 219) = ( 0.0270270 -0.0000000 0.2357524), wk = 0.0039370 k( 220) = ( 0.0405405 -0.0000000 0.2357524), wk = 0.0039370 k( 221) = ( 0.0540540 -0.0000000 0.2357524), wk = 0.0039370 k( 222) = ( 0.0675676 -0.0000000 0.2357524), wk = 0.0039370 k( 223) = ( 0.0810811 -0.0000000 0.2357524), wk = 0.0039370 k( 224) = ( 0.0945946 -0.0000000 0.2357524), wk = 0.0039370 k( 225) = ( 0.1081081 -0.0000000 0.2357524), wk = 0.0039370 k( 226) = ( 0.1216216 -0.0000000 0.2357524), wk = 0.0039370 k( 227) = ( 0.1351351 -0.0000000 0.2357524), wk = 0.0039370 k( 228) = ( 0.1486486 -0.0000000 0.2357524), wk = 0.0039370 k( 229) = ( 0.1621622 -0.0000000 0.2357524), wk = 0.0039370 k( 230) = ( 0.1756757 -0.0000000 0.2357524), wk = 0.0039370 k( 231) = ( 0.1891892 -0.0000000 0.2357524), wk = 0.0039370 k( 232) = ( 0.2027027 -0.0000000 0.2357524), wk = 0.0039370 k( 233) = ( 0.2162162 -0.0000000 0.2357524), wk = 0.0039370 k( 234) = ( 0.2297297 -0.0000000 0.2357524), wk = 0.0039370 k( 235) = ( 0.2432432 -0.0000000 0.2357524), wk = 0.0039370 k( 236) = ( 0.2567568 -0.0000000 0.2357524), wk = 0.0039370 k( 237) = ( 0.2702703 -0.0000000 0.2357524), wk = 0.0039370 k( 238) = ( 0.2837838 -0.0000000 0.2357524), wk = 0.0039370 k( 239) = ( 0.2972973 -0.0000000 0.2357524), wk = 0.0039370 k( 240) = ( 0.3108108 -0.0000000 0.2357524), wk = 0.0039370 k( 241) = ( 0.3243243 -0.0000000 0.2357524), wk = 0.0039370 k( 242) = ( 0.3378378 -0.0000000 0.2357524), wk = 0.0039370 k( 243) = ( 0.3513514 -0.0000000 0.2357524), wk = 0.0039370 k( 244) = ( 0.3648649 -0.0000000 0.2357524), wk = 0.0039370 k( 245) = ( 0.3783784 -0.0000000 0.2357524), wk = 0.0039370 k( 246) = ( 0.3918919 -0.0000000 0.2357524), wk = 0.0039370 k( 247) = ( 0.4054054 -0.0000000 0.2357524), wk = 0.0039370 k( 248) = ( 0.4189189 -0.0000000 0.2357524), wk = 0.0039370 k( 249) = ( 0.4324324 -0.0000000 0.2357524), wk = 0.0039370 k( 250) = ( 0.4459459 -0.0000000 0.2357524), wk = 0.0039370 k( 251) = ( 0.4594595 -0.0000000 0.2357524), wk = 0.0039370 k( 252) = ( 0.4729730 -0.0000000 0.2357524), wk = 0.0039370 k( 253) = ( 0.4864865 -0.0000000 0.2357524), wk = 0.0039370 k( 254) = ( 0.5000000 -0.0000000 0.2357524), wk = 0.0039370 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0039370 k( 3) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0039370 k( 4) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0039370 k( 5) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0039370 k( 6) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0039370 k( 7) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0039370 k( 8) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0039370 k( 9) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0039370 k( 10) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039370 k( 11) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0039370 k( 12) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0039370 k( 13) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0039370 k( 14) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0039370 k( 15) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0039370 k( 16) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0039370 k( 17) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0039370 k( 18) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0039370 k( 19) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 20) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 21) = ( 0.0000000 0.0159872 0.5058342), wk = 0.0039370 k( 22) = ( 0.0000000 0.0319743 0.5116683), wk = 0.0039370 k( 23) = ( 0.0000000 0.0479615 0.5175025), wk = 0.0039370 k( 24) = ( 0.0000000 0.0639487 0.5233366), wk = 0.0039370 k( 25) = ( 0.0000000 0.0799358 0.5291708), wk = 0.0039370 k( 26) = ( 0.0000000 0.0959230 0.5350050), wk = 0.0039370 k( 27) = ( 0.0000000 0.1119102 0.5408391), wk = 0.0039370 k( 28) = ( 0.0000000 0.1278973 0.5466733), wk = 0.0039370 k( 29) = ( 0.0000000 0.1438845 0.5525075), wk = 0.0039370 k( 30) = ( 0.0000000 0.1598717 0.5583416), wk = 0.0039370 k( 31) = ( 0.0000000 0.1758588 0.5641758), wk = 0.0039370 k( 32) = ( 0.0000000 0.1918460 0.5700100), wk = 0.0039370 k( 33) = ( 0.0000000 0.2078332 0.5758441), wk = 0.0039370 k( 34) = ( 0.0000000 0.2238203 0.5816783), wk = 0.0039370 k( 35) = ( 0.0000000 0.2398075 0.5875125), wk = 0.0039370 k( 36) = ( 0.0000000 0.2557947 0.5933466), wk = 0.0039370 k( 37) = ( 0.0000000 0.2717818 0.5991808), wk = 0.0039370 k( 38) = ( 0.0000000 0.2877690 0.6050149), wk = 0.0039370 k( 39) = ( 0.0000000 0.3037562 0.6108491), wk = 0.0039370 k( 40) = ( 0.0000000 0.3197433 0.6166833), wk = 0.0039370 k( 41) = ( 0.0000000 0.3357305 0.6225174), wk = 0.0039370 k( 42) = ( 0.0000000 0.3517177 0.6283516), wk = 0.0039370 k( 43) = ( 0.0000000 0.3677048 0.6341858), wk = 0.0039370 k( 44) = ( 0.0000000 0.3836920 0.6400199), wk = 0.0039370 k( 45) = ( 0.0000000 0.3996791 0.6458541), wk = 0.0039370 k( 46) = ( 0.0000000 0.4156663 0.6516882), wk = 0.0039370 k( 47) = ( 0.0000000 0.4316535 0.6575224), wk = 0.0039370 k( 48) = ( 0.0000000 0.4476406 0.6633566), wk = 0.0039370 k( 49) = ( 0.0000000 0.4636278 0.6691907), wk = 0.0039370 k( 50) = ( 0.0000000 0.4636278 0.6691907), wk = 0.0039370 k( 51) = ( 0.0000000 0.4688238 0.6450206), wk = 0.0039370 k( 52) = ( 0.0000000 0.4740199 0.6208505), wk = 0.0039370 k( 53) = ( 0.0000000 0.4792159 0.5966804), wk = 0.0039370 k( 54) = ( 0.0000000 0.4844119 0.5725103), wk = 0.0039370 k( 55) = ( 0.0000000 0.4896079 0.5483402), wk = 0.0039370 k( 56) = ( 0.0000000 0.4948040 0.5241701), wk = 0.0039370 k( 57) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039370 k( 58) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039370 k( 59) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0039370 k( 60) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0039370 k( 61) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0039370 k( 62) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0039370 k( 63) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0039370 k( 64) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0039370 k( 65) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0039370 k( 66) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0039370 k( 67) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0039370 k( 68) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0039370 k( 69) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0039370 k( 70) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0039370 k( 71) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0039370 k( 72) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0039370 k( 73) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0039370 k( 74) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0039370 k( 75) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0039370 k( 76) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0039370 k( 77) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0039370 k( 78) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0039370 k( 79) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0039370 k( 80) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0039370 k( 81) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0039370 k( 82) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0039370 k( 83) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0039370 k( 84) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0039370 k( 85) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0039370 k( 86) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0039370 k( 87) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0039370 k( 88) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0039370 k( 89) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0039370 k( 90) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0039370 k( 91) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0039370 k( 92) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0039370 k( 93) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0039370 k( 94) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0039370 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 97) = ( 0.5000000 0.5051960 0.4758299), wk = 0.0039370 k( 98) = ( 0.5000000 0.5103921 0.4516598), wk = 0.0039370 k( 99) = ( 0.5000000 0.5155881 0.4274897), wk = 0.0039370 k( 100) = ( 0.5000000 0.5207841 0.4033196), wk = 0.0039370 k( 101) = ( 0.5000000 0.5259801 0.3791495), wk = 0.0039370 k( 102) = ( 0.5000000 0.5311762 0.3549794), wk = 0.0039370 k( 103) = ( 0.5000000 0.5363722 0.3308093), wk = 0.0039370 k( 104) = ( 0.5000000 0.5363722 0.3308093), wk = 0.0039370 k( 105) = ( 0.5000000 0.5333412 0.3032418), wk = 0.0039370 k( 106) = ( 0.5000000 0.5303102 0.2756744), wk = 0.0039370 k( 107) = ( 0.5000000 0.5272791 0.2481069), wk = 0.0039370 k( 108) = ( 0.5000000 0.5242481 0.2205395), wk = 0.0039370 k( 109) = ( 0.5000000 0.5212171 0.1929721), wk = 0.0039370 k( 110) = ( 0.5000000 0.5181861 0.1654046), wk = 0.0039370 k( 111) = ( 0.5000000 0.5151551 0.1378372), wk = 0.0039370 k( 112) = ( 0.5000000 0.5121241 0.1102697), wk = 0.0039370 k( 113) = ( 0.5000000 0.5090931 0.0827023), wk = 0.0039370 k( 114) = ( 0.5000000 0.5060620 0.0551349), wk = 0.0039370 k( 115) = ( 0.5000000 0.5030310 0.0275674), wk = 0.0039370 k( 116) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 117) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 118) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0039370 k( 119) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0039370 k( 120) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0039370 k( 121) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0039370 k( 122) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0039370 k( 123) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0039370 k( 124) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0039370 k( 125) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0039370 k( 126) = ( 0.3783784 0.5000000 0.0000000), wk = 0.0039370 k( 127) = ( 0.3648649 0.5000000 0.0000000), wk = 0.0039370 k( 128) = ( 0.3513514 0.5000000 0.0000000), wk = 0.0039370 k( 129) = ( 0.3378378 0.5000000 0.0000000), wk = 0.0039370 k( 130) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0039370 k( 131) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0039370 k( 132) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0039370 k( 133) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0039370 k( 134) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0039370 k( 135) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0039370 k( 136) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0039370 k( 137) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0039370 k( 138) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0039370 k( 139) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0039370 k( 140) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0039370 k( 141) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0039370 k( 142) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0039370 k( 143) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0039370 k( 144) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0039370 k( 145) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0039370 k( 146) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0039370 k( 147) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0039370 k( 148) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0039370 k( 149) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0039370 k( 150) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0039370 k( 151) = ( 0.0405405 0.5000000 0.0000000), wk = 0.0039370 k( 152) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0039370 k( 153) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0039370 k( 154) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 155) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 156) = ( 0.0000000 0.5030310 0.0275674), wk = 0.0039370 k( 157) = ( 0.0000000 0.5060620 0.0551349), wk = 0.0039370 k( 158) = ( 0.0000000 0.5090931 0.0827023), wk = 0.0039370 k( 159) = ( 0.0000000 0.5121241 0.1102698), wk = 0.0039370 k( 160) = ( 0.0000000 0.5151551 0.1378372), wk = 0.0039370 k( 161) = ( 0.0000000 0.5181861 0.1654046), wk = 0.0039370 k( 162) = ( 0.0000000 0.5212171 0.1929721), wk = 0.0039370 k( 163) = ( 0.0000000 0.5242481 0.2205395), wk = 0.0039370 k( 164) = ( 0.0000000 0.5272791 0.2481069), wk = 0.0039370 k( 165) = ( 0.0000000 0.5303102 0.2756744), wk = 0.0039370 k( 166) = ( 0.0000000 0.5333412 0.3032418), wk = 0.0039370 k( 167) = ( 0.0000000 0.5363722 0.3308093), wk = 0.0039370 k( 168) = ( 0.5000000 0.4636278 0.6691907), wk = 0.0039370 k( 169) = ( 0.5000000 0.4476406 0.6633566), wk = 0.0039370 k( 170) = ( 0.5000000 0.4316535 0.6575224), wk = 0.0039370 k( 171) = ( 0.5000000 0.4156663 0.6516882), wk = 0.0039370 k( 172) = ( 0.5000000 0.3996791 0.6458541), wk = 0.0039370 k( 173) = ( 0.5000000 0.3836920 0.6400199), wk = 0.0039370 k( 174) = ( 0.5000000 0.3677048 0.6341858), wk = 0.0039370 k( 175) = ( 0.5000000 0.3517177 0.6283516), wk = 0.0039370 k( 176) = ( 0.5000000 0.3357305 0.6225174), wk = 0.0039370 k( 177) = ( 0.5000000 0.3197433 0.6166833), wk = 0.0039370 k( 178) = ( 0.5000000 0.3037562 0.6108491), wk = 0.0039370 k( 179) = ( 0.5000000 0.2877690 0.6050149), wk = 0.0039370 k( 180) = ( 0.5000000 0.2717818 0.5991808), wk = 0.0039370 k( 181) = ( 0.5000000 0.2557947 0.5933466), wk = 0.0039370 k( 182) = ( 0.5000000 0.2398075 0.5875125), wk = 0.0039370 k( 183) = ( 0.5000000 0.2238203 0.5816783), wk = 0.0039370 k( 184) = ( 0.5000000 0.2078332 0.5758441), wk = 0.0039370 k( 185) = ( 0.5000000 0.1918460 0.5700100), wk = 0.0039370 k( 186) = ( 0.5000000 0.1758588 0.5641758), wk = 0.0039370 k( 187) = ( 0.5000000 0.1598717 0.5583416), wk = 0.0039370 k( 188) = ( 0.5000000 0.1438845 0.5525075), wk = 0.0039370 k( 189) = ( 0.5000000 0.1278973 0.5466733), wk = 0.0039370 k( 190) = ( 0.5000000 0.1119102 0.5408391), wk = 0.0039370 k( 191) = ( 0.5000000 0.0959230 0.5350050), wk = 0.0039370 k( 192) = ( 0.5000000 0.0799358 0.5291708), wk = 0.0039370 k( 193) = ( 0.5000000 0.0639487 0.5233366), wk = 0.0039370 k( 194) = ( 0.5000000 0.0479615 0.5175025), wk = 0.0039370 k( 195) = ( 0.5000000 0.0319743 0.5116683), wk = 0.0039370 k( 196) = ( 0.5000000 0.0159872 0.5058342), wk = 0.0039370 k( 197) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039370 k( 198) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039370 k( 199) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0039370 k( 200) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0039370 k( 201) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0039370 k( 202) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0039370 k( 203) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0039370 k( 204) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0039370 k( 205) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0039370 k( 206) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0039370 k( 207) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0039370 k( 208) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0039370 k( 209) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0039370 k( 210) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0039370 k( 211) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0039370 k( 212) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0039370 k( 213) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0039370 k( 214) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0039370 k( 215) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0039370 k( 216) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0039370 k( 217) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 218) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0039370 k( 219) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0039370 k( 220) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0039370 k( 221) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0039370 k( 222) = ( 0.0675676 0.0000000 0.5000000), wk = 0.0039370 k( 223) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0039370 k( 224) = ( 0.0945946 0.0000000 0.5000000), wk = 0.0039370 k( 225) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0039370 k( 226) = ( 0.1216216 0.0000000 0.5000000), wk = 0.0039370 k( 227) = ( 0.1351351 0.0000000 0.5000000), wk = 0.0039370 k( 228) = ( 0.1486486 0.0000000 0.5000000), wk = 0.0039370 k( 229) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0039370 k( 230) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0039370 k( 231) = ( 0.1891892 0.0000000 0.5000000), wk = 0.0039370 k( 232) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0039370 k( 233) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0039370 k( 234) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0039370 k( 235) = ( 0.2432432 0.0000000 0.5000000), wk = 0.0039370 k( 236) = ( 0.2567568 0.0000000 0.5000000), wk = 0.0039370 k( 237) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0039370 k( 238) = ( 0.2837838 0.0000000 0.5000000), wk = 0.0039370 k( 239) = ( 0.2972973 0.0000000 0.5000000), wk = 0.0039370 k( 240) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0039370 k( 241) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0039370 k( 242) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0039370 k( 243) = ( 0.3513514 0.0000000 0.5000000), wk = 0.0039370 k( 244) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0039370 k( 245) = ( 0.3783784 0.0000000 0.5000000), wk = 0.0039370 k( 246) = ( 0.3918919 0.0000000 0.5000000), wk = 0.0039370 k( 247) = ( 0.4054054 0.0000000 0.5000000), wk = 0.0039370 k( 248) = ( 0.4189189 0.0000000 0.5000000), wk = 0.0039370 k( 249) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0039370 k( 250) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0039370 k( 251) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0039370 k( 252) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0039370 k( 253) = ( 0.4864865 0.0000000 0.5000000), wk = 0.0039370 k( 254) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039370 Dense grid: 89413 G-vectors FFT dimensions: ( 45, 50, 90) Smooth grid: 44471 G-vectors FFT dimensions: ( 36, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 234, 48) NL pseudopotentials 0.37 Mb ( 117, 206) Each V/rho on FFT grid 0.07 Mb ( 4500) Each G-vector array 0.01 Mb ( 1862) G-vector shells 0.01 Mb ( 1753) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 234, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.30 Mb ( 206, 2, 48) The potential is recalculated from file : ./BaSb2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.3 secs Computing kpt #: 2 total cpu time spent up to now is 46.9 secs Computing kpt #: 3 total cpu time spent up to now is 49.5 secs Computing kpt #: 4 total cpu time spent up to now is 52.0 secs Computing kpt #: 5 total cpu time spent up to now is 54.6 secs Computing kpt #: 6 total cpu time spent up to now is 57.2 secs Computing kpt #: 7 total cpu time spent up to now is 59.7 secs Computing kpt #: 8 total cpu time spent up to now is 62.1 secs Computing kpt #: 9 total cpu time spent up to now is 64.5 secs Computing kpt #: 10 total cpu time spent up to now is 67.0 secs Computing kpt #: 11 total cpu time spent up to now is 69.5 secs Computing kpt #: 12 total cpu time spent up to now is 71.9 secs Computing kpt #: 13 total cpu time spent up to now is 74.3 secs Computing kpt #: 14 total cpu time spent up to now is 76.6 secs Computing kpt #: 15 total cpu time spent up to now is 79.0 secs Computing kpt #: 16 total cpu time spent up to now is 81.5 secs Computing kpt #: 17 total cpu time spent up to now is 84.0 secs Computing kpt #: 18 total cpu time spent up to now is 86.6 secs Computing kpt #: 19 total cpu time spent up to now is 89.1 secs Computing kpt #: 20 total cpu time spent up to now is 91.5 secs Computing kpt #: 21 total cpu time spent up to now is 94.1 secs Computing kpt #: 22 total cpu time spent up to now is 96.4 secs Computing kpt #: 23 total cpu time spent up to now is 98.9 secs Computing kpt #: 24 total cpu time spent up to now is 101.4 secs Computing kpt #: 25 total cpu time spent up to now is 103.7 secs Computing kpt #: 26 total cpu time spent up to now is 106.0 secs Computing kpt #: 27 total cpu time spent up to now is 108.2 secs Computing kpt #: 28 total cpu time spent up to now is 110.4 secs Computing kpt #: 29 total cpu time spent up to now is 112.6 secs Computing kpt #: 30 total cpu time spent up to now is 115.1 secs Computing kpt #: 31 total cpu time spent up to now is 117.4 secs Computing kpt #: 32 total cpu time spent up to now is 119.8 secs Computing kpt #: 33 total cpu time spent up to now is 122.2 secs Computing kpt #: 34 total cpu time spent up to now is 124.9 secs Computing kpt #: 35 total cpu time spent up to now is 127.6 secs Computing kpt #: 36 total cpu time spent up to now is 130.3 secs Computing kpt #: 37 total cpu time spent up to now is 133.2 secs Computing kpt #: 38 total cpu time spent up to now is 135.9 secs Computing kpt #: 39 total cpu time spent up to now is 138.9 secs Computing kpt #: 40 total cpu time spent up to now is 141.6 secs Computing kpt #: 41 total cpu time spent up to now is 144.1 secs Computing kpt #: 42 total cpu time spent up to now is 146.4 secs Computing kpt #: 43 total cpu time spent up to now is 148.7 secs Computing kpt #: 44 total cpu time spent up to now is 150.9 secs Computing kpt #: 45 total cpu time spent up to now is 153.1 secs Computing kpt #: 46 total cpu time spent up to now is 155.5 secs Computing kpt #: 47 total cpu time spent up to now is 157.7 secs Computing kpt #: 48 total cpu time spent up to now is 159.9 secs Computing kpt #: 49 total cpu time spent up to now is 162.0 secs Computing kpt #: 50 total cpu time spent up to now is 164.1 secs Computing kpt #: 51 total cpu time spent up to now is 166.3 secs Computing kpt #: 52 total cpu time spent up to now is 168.4 secs Computing kpt #: 53 total cpu time spent up to now is 170.6 secs Computing kpt #: 54 total cpu time spent up to now is 172.7 secs Computing kpt #: 55 total cpu time spent up to now is 174.7 secs Computing kpt #: 56 total cpu time spent up to now is 176.7 secs Computing kpt #: 57 total cpu time spent up to now is 178.7 secs Computing kpt #: 58 total cpu time spent up to now is 180.7 secs Computing kpt #: 59 total cpu time spent up to now is 182.6 secs Computing kpt #: 60 total cpu time spent up to now is 184.9 secs Computing kpt #: 61 total cpu time spent up to now is 187.0 secs Computing kpt #: 62 total cpu time spent up to now is 189.1 secs Computing kpt #: 63 total cpu time spent up to now is 191.3 secs Computing kpt #: 64 total cpu time spent up to now is 193.5 secs Computing kpt #: 65 total cpu time spent up to now is 195.7 secs Computing kpt #: 66 total cpu time spent up to now is 198.0 secs Computing kpt #: 67 total cpu time spent up to now is 200.3 secs Computing kpt #: 68 total cpu time spent up to now is 202.7 secs Computing kpt #: 69 total cpu time spent up to now is 205.1 secs Computing kpt #: 70 total cpu time spent up to now is 207.6 secs Computing kpt #: 71 total cpu time spent up to now is 210.1 secs Computing kpt #: 72 total cpu time spent up to now is 212.6 secs Computing kpt #: 73 total cpu time spent up to now is 215.1 secs Computing kpt #: 74 total cpu time spent up to now is 217.5 secs Computing kpt #: 75 total cpu time spent up to now is 219.9 secs Computing kpt #: 76 total cpu time spent up to now is 222.4 secs Computing kpt #: 77 total cpu time spent up to now is 224.8 secs Computing kpt #: 78 total cpu time spent up to now is 227.5 secs Computing kpt #: 79 total cpu time spent up to now is 230.1 secs Computing kpt #: 80 total cpu time spent up to now is 232.7 secs Computing kpt #: 81 total cpu time spent up to now is 235.4 secs Computing kpt #: 82 total cpu time spent up to now is 238.0 secs Computing kpt #: 83 total cpu time spent up to now is 240.6 secs Computing kpt #: 84 total cpu time spent up to now is 243.1 secs Computing kpt #: 85 total cpu time spent up to now is 245.7 secs Computing kpt #: 86 total cpu time spent up to now is 248.3 secs Computing kpt #: 87 total cpu time spent up to now is 250.7 secs Computing kpt #: 88 total cpu time spent up to now is 253.2 secs Computing kpt #: 89 total cpu time spent up to now is 255.5 secs Computing kpt #: 90 total cpu time spent up to now is 258.0 secs Computing kpt #: 91 total cpu time spent up to now is 260.3 secs Computing kpt #: 92 total cpu time spent up to now is 263.0 secs Computing kpt #: 93 total cpu time spent up to now is 265.5 secs Computing kpt #: 94 total cpu time spent up to now is 268.0 secs Computing kpt #: 95 total cpu time spent up to now is 270.5 secs Computing kpt #: 96 total cpu time spent up to now is 273.0 secs Computing kpt #: 97 total cpu time spent up to now is 275.5 secs Computing kpt #: 98 total cpu time spent up to now is 278.0 secs Computing kpt #: 99 total cpu time spent up to now is 280.5 secs Computing kpt #: 100 total cpu time spent up to now is 283.0 secs Computing kpt #: 101 total cpu time spent up to now is 285.6 secs Computing kpt #: 102 total cpu time spent up to now is 288.1 secs Computing kpt #: 103 total cpu time spent up to now is 290.7 secs Computing kpt #: 104 total cpu time spent up to now is 293.3 secs Computing kpt #: 105 total cpu time spent up to now is 295.9 secs Computing kpt #: 106 total cpu time spent up to now is 298.4 secs Computing kpt #: 107 total cpu time spent up to now is 300.9 secs Computing kpt #: 108 total cpu time spent up to now is 303.4 secs Computing kpt #: 109 total cpu time spent up to now is 306.0 secs Computing kpt #: 110 total cpu time spent up to now is 308.5 secs Computing kpt #: 111 total cpu time spent up to now is 310.9 secs Computing kpt #: 112 total cpu time spent up to now is 313.4 secs Computing kpt #: 113 total cpu time spent up to now is 315.7 secs Computing kpt #: 114 total cpu time spent up to now is 318.0 secs Computing kpt #: 115 total cpu time spent up to now is 320.3 secs Computing kpt #: 116 total cpu time spent up to now is 322.6 secs Computing kpt #: 117 total cpu time spent up to now is 325.0 secs Computing kpt #: 118 total cpu time spent up to now is 327.4 secs Computing kpt #: 119 total cpu time spent up to now is 329.9 secs Computing kpt #: 120 total cpu time spent up to now is 332.4 secs Computing kpt #: 121 total cpu time spent up to now is 335.0 secs Computing kpt #: 122 total cpu time spent up to now is 337.5 secs Computing kpt #: 123 total cpu time spent up to now is 340.0 secs Computing kpt #: 124 total cpu time spent up to now is 342.6 secs Computing kpt #: 125 total cpu time spent up to now is 345.1 secs Computing kpt #: 126 total cpu time spent up to now is 347.7 secs Computing kpt #: 127 total cpu time spent up to now is 350.2 secs Computing kpt #: 128 total cpu time spent up to now is 352.8 secs Computing kpt #: 129 total cpu time spent up to now is 355.3 secs Computing kpt #: 130 total cpu time spent up to now is 357.9 secs Computing kpt #: 131 total cpu time spent up to now is 360.6 secs Computing kpt #: 132 total cpu time spent up to now is 363.2 secs Computing kpt #: 133 total cpu time spent up to now is 365.9 secs Computing kpt #: 134 total cpu time spent up to now is 368.5 secs Computing kpt #: 135 total cpu time spent up to now is 371.2 secs Computing kpt #: 136 total cpu time spent up to now is 373.8 secs Computing kpt #: 137 total cpu time spent up to now is 376.1 secs Computing kpt #: 138 total cpu time spent up to now is 378.5 secs Computing kpt #: 139 total cpu time spent up to now is 380.8 secs Computing kpt #: 140 total cpu time spent up to now is 383.1 secs Computing kpt #: 141 total cpu time spent up to now is 385.8 secs Computing kpt #: 142 total cpu time spent up to now is 388.2 secs Computing kpt #: 143 total cpu time spent up to now is 390.6 secs Computing kpt #: 144 total cpu time spent up to now is 393.0 secs Computing kpt #: 145 total cpu time spent up to now is 395.4 secs Computing kpt #: 146 total cpu time spent up to now is 397.8 secs Computing kpt #: 147 total cpu time spent up to now is 400.0 secs Computing kpt #: 148 total cpu time spent up to now is 402.3 secs Computing kpt #: 149 total cpu time spent up to now is 404.6 secs Computing kpt #: 150 total cpu time spent up to now is 406.7 secs Computing kpt #: 151 total cpu time spent up to now is 409.0 secs Computing kpt #: 152 total cpu time spent up to now is 411.1 secs Computing kpt #: 153 total cpu time spent up to now is 413.3 secs Computing kpt #: 154 total cpu time spent up to now is 415.4 secs Computing kpt #: 155 total cpu time spent up to now is 417.6 secs Computing kpt #: 156 total cpu time spent up to now is 419.7 secs Computing kpt #: 157 total cpu time spent up to now is 421.9 secs Computing kpt #: 158 total cpu time spent up to now is 424.0 secs Computing kpt #: 159 total cpu time spent up to now is 426.3 secs Computing kpt #: 160 total cpu time spent up to now is 428.4 secs Computing kpt #: 161 total cpu time spent up to now is 430.6 secs Computing kpt #: 162 total cpu time spent up to now is 432.8 secs Computing kpt #: 163 total cpu time spent up to now is 434.9 secs Computing kpt #: 164 total cpu time spent up to now is 437.1 secs Computing kpt #: 165 total cpu time spent up to now is 439.3 secs Computing kpt #: 166 total cpu time spent up to now is 441.5 secs Computing kpt #: 167 total cpu time spent up to now is 443.6 secs Computing kpt #: 168 total cpu time spent up to now is 446.2 secs Computing kpt #: 169 total cpu time spent up to now is 448.9 secs Computing kpt #: 170 total cpu time spent up to now is 451.7 secs Computing kpt #: 171 total cpu time spent up to now is 454.4 secs Computing kpt #: 172 total cpu time spent up to now is 457.2 secs Computing kpt #: 173 total cpu time spent up to now is 459.8 secs Computing kpt #: 174 total cpu time spent up to now is 462.5 secs Computing kpt #: 175 total cpu time spent up to now is 465.0 secs Computing kpt #: 176 total cpu time spent up to now is 467.6 secs Computing kpt #: 177 total cpu time spent up to now is 470.2 secs Computing kpt #: 178 total cpu time spent up to now is 472.6 secs Computing kpt #: 179 total cpu time spent up to now is 475.0 secs Computing kpt #: 180 total cpu time spent up to now is 477.4 secs Computing kpt #: 181 total cpu time spent up to now is 479.9 secs Computing kpt #: 182 total cpu time spent up to now is 482.3 secs Computing kpt #: 183 total cpu time spent up to now is 484.7 secs Computing kpt #: 184 total cpu time spent up to now is 487.1 secs Computing kpt #: 185 total cpu time spent up to now is 489.6 secs Computing kpt #: 186 total cpu time spent up to now is 492.2 secs Computing kpt #: 187 total cpu time spent up to now is 494.8 secs Computing kpt #: 188 total cpu time spent up to now is 497.4 secs Computing kpt #: 189 total cpu time spent up to now is 500.0 secs Computing kpt #: 190 total cpu time spent up to now is 502.6 secs Computing kpt #: 191 total cpu time spent up to now is 505.2 secs Computing kpt #: 192 total cpu time spent up to now is 507.7 secs Computing kpt #: 193 total cpu time spent up to now is 510.2 secs Computing kpt #: 194 total cpu time spent up to now is 512.7 secs Computing kpt #: 195 total cpu time spent up to now is 515.2 secs Computing kpt #: 196 total cpu time spent up to now is 517.5 secs Computing kpt #: 197 total cpu time spent up to now is 519.8 secs Computing kpt #: 198 total cpu time spent up to now is 522.1 secs Computing kpt #: 199 total cpu time spent up to now is 524.4 secs Computing kpt #: 200 total cpu time spent up to now is 526.7 secs Computing kpt #: 201 total cpu time spent up to now is 528.9 secs Computing kpt #: 202 total cpu time spent up to now is 531.1 secs Computing kpt #: 203 total cpu time spent up to now is 533.2 secs Computing kpt #: 204 total cpu time spent up to now is 535.3 secs Computing kpt #: 205 total cpu time spent up to now is 537.3 secs Computing kpt #: 206 total cpu time spent up to now is 539.4 secs Computing kpt #: 207 total cpu time spent up to now is 541.3 secs Computing kpt #: 208 total cpu time spent up to now is 543.2 secs Computing kpt #: 209 total cpu time spent up to now is 545.2 secs Computing kpt #: 210 total cpu time spent up to now is 547.1 secs Computing kpt #: 211 total cpu time spent up to now is 548.9 secs Computing kpt #: 212 total cpu time spent up to now is 550.7 secs Computing kpt #: 213 total cpu time spent up to now is 552.6 secs Computing kpt #: 214 total cpu time spent up to now is 554.4 secs Computing kpt #: 215 total cpu time spent up to now is 556.2 secs Computing kpt #: 216 total cpu time spent up to now is 558.1 secs Computing kpt #: 217 total cpu time spent up to now is 560.7 secs Computing kpt #: 218 total cpu time spent up to now is 563.2 secs Computing kpt #: 219 total cpu time spent up to now is 565.8 secs Computing kpt #: 220 total cpu time spent up to now is 568.4 secs Computing kpt #: 221 total cpu time spent up to now is 571.1 secs Computing kpt #: 222 total cpu time spent up to now is 573.7 secs Computing kpt #: 223 total cpu time spent up to now is 576.5 secs Computing kpt #: 224 total cpu time spent up to now is 579.4 secs Computing kpt #: 225 total cpu time spent up to now is 582.5 secs Computing kpt #: 226 total cpu time spent up to now is 585.8 secs Computing kpt #: 227 total cpu time spent up to now is 589.0 secs Computing kpt #: 228 total cpu time spent up to now is 591.7 secs Computing kpt #: 229 total cpu time spent up to now is 594.5 secs Computing kpt #: 230 total cpu time spent up to now is 597.2 secs Computing kpt #: 231 total cpu time spent up to now is 599.9 secs Computing kpt #: 232 total cpu time spent up to now is 602.4 secs Computing kpt #: 233 total cpu time spent up to now is 604.9 secs Computing kpt #: 234 total cpu time spent up to now is 607.6 secs Computing kpt #: 235 total cpu time spent up to now is 610.1 secs Computing kpt #: 236 total cpu time spent up to now is 612.5 secs Computing kpt #: 237 total cpu time spent up to now is 615.1 secs Computing kpt #: 238 total cpu time spent up to now is 617.7 secs Computing kpt #: 239 total cpu time spent up to now is 620.3 secs Computing kpt #: 240 total cpu time spent up to now is 622.9 secs Computing kpt #: 241 total cpu time spent up to now is 625.5 secs Computing kpt #: 242 total cpu time spent up to now is 628.1 secs Computing kpt #: 243 total cpu time spent up to now is 630.9 secs Computing kpt #: 244 total cpu time spent up to now is 633.5 secs Computing kpt #: 245 total cpu time spent up to now is 636.3 secs Computing kpt #: 246 total cpu time spent up to now is 638.9 secs Computing kpt #: 247 total cpu time spent up to now is 641.6 secs Computing kpt #: 248 total cpu time spent up to now is 644.2 secs Computing kpt #: 249 total cpu time spent up to now is 646.7 secs Computing kpt #: 250 total cpu time spent up to now is 649.2 secs Computing kpt #: 251 total cpu time spent up to now is 651.7 secs Computing kpt #: 252 total cpu time spent up to now is 654.2 secs Computing kpt #: 253 total cpu time spent up to now is 656.6 secs Computing kpt #: 254 total cpu time spent up to now is 658.9 secs ethr = 2.50E-11, avg # of iterations = 39.9 total cpu time spent up to now is 659.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5559 PWs) bands (ev): -20.5051 -20.5051 -20.4914 -20.4914 -7.2347 -7.2347 -7.1424 -7.1424 -5.4779 -5.4779 -5.2101 -5.2101 -5.0995 -5.0995 -5.0389 -5.0389 -3.6943 -3.6943 -2.8511 -2.8511 -0.2868 -0.2868 0.8203 0.8203 4.6258 4.6258 4.8045 4.8045 4.9349 4.9349 4.9677 4.9677 5.1517 5.1517 5.3608 5.3608 6.8271 6.8271 7.5480 7.5480 7.9061 7.9061 8.1216 8.1216 9.0212 9.0212 9.0782 9.0782 k = 0.0000 0.0000 0.0131 ( 5562 PWs) bands (ev): -20.5051 -20.5051 -20.4914 -20.4914 -7.2346 -7.2346 -7.1426 -7.1426 -5.4774 -5.4774 -5.2106 -5.2106 -5.0994 -5.0994 -5.0393 -5.0393 -3.6927 -3.6927 -2.8529 -2.8529 -0.2853 -0.2853 0.8197 0.8197 4.6235 4.6235 4.7871 4.7871 4.9405 4.9405 4.9734 4.9734 5.1526 5.1526 5.3698 5.3698 6.8270 6.8270 7.5482 7.5482 7.9057 7.9057 8.1226 8.1226 9.0209 9.0209 9.0781 9.0781 k = 0.0000 0.0000 0.0262 ( 5567 PWs) bands (ev): -20.5051 -20.5051 -20.4914 -20.4914 -7.2341 -7.2341 -7.1430 -7.1430 -5.4762 -5.4762 -5.2122 -5.2122 -5.0993 -5.0993 -5.0403 -5.0403 -3.6879 -3.6879 -2.8580 -2.8580 -0.2807 -0.2807 0.8178 0.8178 4.6159 4.6159 4.7477 4.7477 4.9484 4.9484 4.9883 4.9883 5.1548 5.1548 5.3960 5.3960 6.8264 6.8264 7.5487 7.5487 7.9042 7.9042 8.1256 8.1256 9.0198 9.0198 9.0778 9.0778 k = 0.0000 0.0000 0.0393 ( 5569 PWs) bands (ev): -20.5051 -20.5051 -20.4915 -20.4915 -7.2334 -7.2334 -7.1438 -7.1438 -5.4742 -5.4742 -5.2149 -5.2149 -5.0990 -5.0990 -5.0419 -5.0419 -3.6800 -3.6800 -2.8666 -2.8666 -0.2731 -0.2731 0.8147 0.8147 4.5995 4.5995 4.7041 4.7041 4.9549 4.9549 5.0047 5.0047 5.1576 5.1576 5.4374 5.4374 6.8251 6.8251 7.5497 7.5497 7.9020 7.9020 8.1309 8.1309 9.0166 9.0166 9.0780 9.0780 k = 0.0000 0.0000 0.0524 ( 5575 PWs) bands (ev): -20.5050 -20.5050 -20.4915 -20.4915 -7.2323 -7.2323 -7.1447 -7.1447 -5.4714 -5.4714 -5.2187 -5.2187 -5.0986 -5.0986 -5.0440 -5.0440 -3.6691 -3.6691 -2.8784 -2.8784 -0.2628 -0.2628 0.8104 0.8104 4.5680 4.5680 4.6694 4.6694 4.9614 4.9614 5.0182 5.0182 5.1602 5.1602 5.4904 5.4904 6.8226 6.8226 7.5518 7.5518 7.8989 7.8989 8.1390 8.1390 9.0093 9.0093 9.0797 9.0797 k = 0.0000 0.0000 0.0655 ( 5583 PWs) bands (ev): -20.5050 -20.5050 -20.4915 -20.4915 -7.2310 -7.2310 -7.1460 -7.1460 -5.4678 -5.4678 -5.2235 -5.2235 -5.0982 -5.0982 -5.0466 -5.0466 -3.6553 -3.6553 -2.8932 -2.8932 -0.2500 -0.2500 0.8050 0.8050 4.5212 4.5212 4.6477 4.6477 4.9684 4.9684 5.0287 5.0287 5.1625 5.1625 5.5515 5.5515 6.8183 6.8183 7.5555 7.5555 7.8953 7.8953 8.1500 8.1500 8.9957 8.9957 9.0841 9.0841 k = 0.0000 0.0000 0.0786 ( 5576 PWs) bands (ev): -20.5050 -20.5050 -20.4916 -20.4916 -7.2293 -7.2293 -7.1475 -7.1475 -5.4634 -5.4634 -5.2294 -5.2294 -5.0977 -5.0977 -5.0495 -5.0495 -3.6388 -3.6388 -2.9110 -2.9110 -0.2351 -0.2351 0.7986 0.7986 4.4668 4.4668 4.6335 4.6335 4.9758 4.9758 5.0369 5.0369 5.1645 5.1645 5.6177 5.6177 6.8112 6.8112 7.5619 7.5619 7.8914 7.8914 8.1641 8.1641 8.9746 8.9746 9.0916 9.0916 k = 0.0000 0.0000 0.0917 ( 5566 PWs) bands (ev): -20.5049 -20.5049 -20.4916 -20.4916 -7.2275 -7.2275 -7.1493 -7.1493 -5.4582 -5.4582 -5.2362 -5.2362 -5.0971 -5.0971 -5.0526 -5.0526 -3.6197 -3.6197 -2.9314 -2.9314 -0.2184 -0.2184 0.7913 0.7913 4.4107 4.4107 4.6224 4.6224 4.9832 4.9832 5.0434 5.0434 5.1664 5.1664 5.6865 5.6865 6.8007 6.8007 7.5721 7.5721 7.8874 7.8874 8.1808 8.1808 8.9460 8.9460 9.1018 9.1018 k = 0.0000 0.0000 0.1048 ( 5571 PWs) bands (ev): -20.5048 -20.5048 -20.4917 -20.4917 -7.2254 -7.2254 -7.1512 -7.1512 -5.4523 -5.4523 -5.2440 -5.2440 -5.0964 -5.0964 -5.0558 -5.0558 -3.5984 -3.5984 -2.9543 -2.9543 -0.2003 -0.2003 0.7832 0.7832 4.3558 4.3558 4.6127 4.6127 4.9906 4.9906 5.0488 5.0488 5.1683 5.1683 5.7565 5.7565 6.7858 6.7858 7.5871 7.5871 7.8835 7.8835 8.1995 8.1995 8.9104 8.9104 9.1140 9.1140 k = 0.0000 0.0000 0.1179 ( 5562 PWs) bands (ev): -20.5048 -20.5048 -20.4918 -20.4918 -7.2232 -7.2232 -7.1534 -7.1534 -5.4457 -5.4457 -5.2527 -5.2527 -5.0956 -5.0956 -5.0589 -5.0589 -3.5749 -3.5749 -2.9792 -2.9792 -0.1814 -0.1814 0.7745 0.7745 4.3037 4.3037 4.6040 4.6040 4.9977 4.9977 5.0533 5.0533 5.1704 5.1704 5.8265 5.8265 6.7661 6.7661 7.6081 7.6081 7.8799 7.8799 8.2189 8.2189 8.8688 8.8688 9.1278 9.1278 k = 0.0000 0.0000 0.1310 ( 5559 PWs) bands (ev): -20.5047 -20.5047 -20.4918 -20.4918 -7.2208 -7.2208 -7.1557 -7.1557 -5.4384 -5.4384 -5.2622 -5.2622 -5.0948 -5.0948 -5.0620 -5.0620 -3.5496 -3.5496 -3.0060 -3.0060 -0.1621 -0.1621 0.7655 0.7655 4.2552 4.2552 4.5960 4.5960 5.0043 5.0043 5.0571 5.0571 5.1725 5.1725 5.8958 5.8958 6.7411 6.7411 7.6356 7.6356 7.8767 7.8767 8.2373 8.2373 8.8229 8.8229 9.1424 9.1424 k = 0.0000 0.0000 0.1441 ( 5557 PWs) bands (ev): -20.5046 -20.5046 -20.4919 -20.4919 -7.2182 -7.2182 -7.1581 -7.1581 -5.4304 -5.4304 -5.2723 -5.2723 -5.0939 -5.0939 -5.0650 -5.0650 -3.5228 -3.5228 -3.0343 -3.0343 -0.1431 -0.1431 0.7563 0.7563 4.2112 4.2112 4.5888 4.5888 5.0104 5.0104 5.0601 5.0601 5.1749 5.1749 5.9639 5.9639 6.7111 6.7111 7.6697 7.6697 7.8741 7.8741 8.2526 8.2526 8.7750 8.7750 9.1573 9.1573 k = 0.0000 0.0000 0.1572 ( 5560 PWs) bands (ev): -20.5046 -20.5046 -20.4920 -20.4920 -7.2157 -7.2157 -7.1605 -7.1605 -5.4219 -5.4219 -5.2829 -5.2829 -5.0930 -5.0930 -5.0677 -5.0677 -3.4947 -3.4947 -3.0637 -3.0637 -0.1250 -0.1250 0.7474 0.7474 4.1721 4.1721 4.5824 4.5824 5.0159 5.0159 5.0623 5.0623 5.1774 5.1774 6.0304 6.0304 6.6762 6.6762 7.7102 7.7102 7.8723 7.8723 8.2619 8.2619 8.7281 8.7281 9.1717 9.1717 k = 0.0000 0.0000 0.1703 ( 5559 PWs) bands (ev): -20.5045 -20.5045 -20.4920 -20.4920 -7.2132 -7.2132 -7.1630 -7.1630 -5.4129 -5.4129 -5.2939 -5.2939 -5.0921 -5.0921 -5.0702 -5.0702 -3.4659 -3.4659 -3.0938 -3.0938 -0.1083 -0.1083 0.7389 0.7389 4.1383 4.1383 4.5768 4.5768 5.0207 5.0207 5.0639 5.0639 5.1798 5.1798 6.0952 6.0952 6.6369 6.6369 7.7558 7.7558 7.8719 7.8719 8.2616 8.2616 8.6858 8.6858 9.1852 9.1852 k = 0.0000 0.0000 0.1834 ( 5555 PWs) bands (ev): -20.5045 -20.5045 -20.4921 -20.4921 -7.2108 -7.2108 -7.1653 -7.1653 -5.4035 -5.4035 -5.3050 -5.3050 -5.0911 -5.0911 -5.0725 -5.0725 -3.4368 -3.4368 -3.1239 -3.1239 -0.0936 -0.0936 0.7314 0.7314 4.1102 4.1102 4.5722 4.5722 5.0249 5.0249 5.0650 5.0650 5.1822 5.1822 6.1583 6.1583 6.5938 6.5938 7.8031 7.8031 7.8755 7.8755 8.2486 8.2486 8.6514 8.6514 9.1971 9.1971 k = 0.0000 0.0000 0.1965 ( 5552 PWs) bands (ev): -20.5044 -20.5044 -20.4921 -20.4921 -7.2086 -7.2086 -7.1674 -7.1674 -5.3939 -5.3939 -5.3160 -5.3160 -5.0902 -5.0902 -5.0744 -5.0744 -3.4086 -3.4086 -3.1529 -3.1529 -0.0815 -0.0815 0.7250 0.7250 4.0881 4.0881 4.5685 4.5685 5.0283 5.0283 5.0655 5.0655 5.1842 5.1842 6.2196 6.2196 6.5474 6.5474 7.8390 7.8390 7.8947 7.8947 8.2214 8.2214 8.6272 8.6272 9.2069 9.2069 k = 0.0000 0.0000 0.2096 ( 5547 PWs) bands (ev): -20.5044 -20.5044 -20.4921 -20.4921 -7.2069 -7.2069 -7.1690 -7.1690 -5.3846 -5.3846 -5.3263 -5.3263 -5.0894 -5.0894 -5.0759 -5.0759 -3.3829 -3.3829 -3.1793 -3.1793 -0.0724 -0.0724 0.7203 0.7203 4.0721 4.0721 4.5659 4.5659 5.0308 5.0308 5.0657 5.0657 5.1857 5.1857 6.2791 6.2791 6.4982 6.4982 7.8507 7.8507 7.9405 7.9405 8.1817 8.1817 8.6126 8.6126 9.2142 9.2142 k = 0.0000 0.0000 0.2227 ( 5551 PWs) bands (ev): -20.5044 -20.5044 -20.4921 -20.4921 -7.2058 -7.2058 -7.1701 -7.1701 -5.3768 -5.3768 -5.3348 -5.3348 -5.0888 -5.0888 -5.0770 -5.0770 -3.3633 -3.3633 -3.1993 -3.1993 -0.0668 -0.0668 0.7173 0.7173 4.0625 4.0625 4.5643 4.5643 5.0324 5.0324 5.0657 5.0657 5.1867 5.1867 6.3368 6.3368 6.4465 6.4465 7.8533 7.8533 7.9937 7.9937 8.1353 8.1353 8.6053 8.6053 9.2188 9.2188 k = 0.0000 0.0000 0.2358 ( 5550 PWs) bands (ev): -20.5044 -20.5044 -20.4922 -20.4922 -7.2054 -7.2054 -7.1705 -7.1705 -5.3733 -5.3733 -5.3385 -5.3385 -5.0886 -5.0886 -5.0773 -5.0773 -3.3555 -3.3555 -3.2072 -3.2072 -0.0649 -0.0649 0.7162 0.7162 4.0593 4.0593 4.5637 4.5637 5.0329 5.0329 5.0657 5.0657 5.1871 5.1871 6.3916 6.3916 6.3936 6.3936 7.8539 7.8539 8.0264 8.0264 8.1049 8.1049 8.6032 8.6032 9.2203 9.2203 k = 0.0000 0.0000 0.2358 ( 5550 PWs) bands (ev): -20.5044 -20.5044 -20.4922 -20.4922 -7.2054 -7.2054 -7.1705 -7.1705 -5.3733 -5.3733 -5.3385 -5.3385 -5.0886 -5.0886 -5.0773 -5.0773 -3.3555 -3.3555 -3.2072 -3.2072 -0.0649 -0.0649 0.7162 0.7162 4.0593 4.0593 4.5637 4.5637 5.0329 5.0329 5.0657 5.0657 5.1871 5.1871 6.3916 6.3916 6.3936 6.3936 7.8539 7.8539 8.0264 8.0264 8.1049 8.1049 8.6032 8.6032 9.2203 9.2203 k = 0.0000 0.0135 0.2358 ( 5550 PWs) bands (ev): -20.5044 -20.5044 -20.4921 -20.4921 -7.2054 -7.2054 -7.1707 -7.1707 -5.3738 -5.3738 -5.3386 -5.3386 -5.0887 -5.0887 -5.0775 -5.0775 -3.3545 -3.3545 -3.2064 -3.2064 -0.0641 -0.0641 0.7135 0.7135 4.0574 4.0574 4.5675 4.5675 5.0316 5.0316 5.0659 5.0659 5.1881 5.1881 6.3805 6.3805 6.4074 6.4074 7.8381 7.8381 8.0250 8.0250 8.1142 8.1142 8.6056 8.6056 9.2155 9.2155 k = 0.0000 0.0269 0.2358 ( 5545 PWs) bands (ev): -20.5043 -20.5043 -20.4921 -20.4921 -7.2057 -7.2057 -7.1710 -7.1710 -5.3750 -5.3750 -5.3388 -5.3388 -5.0892 -5.0892 -5.0782 -5.0782 -3.3515 -3.3515 -3.2041 -3.2041 -0.0617 -0.0617 0.7053 0.7053 4.0520 4.0520 4.5786 4.5786 5.0277 5.0277 5.0663 5.0663 5.1913 5.1913 6.3709 6.3709 6.4251 6.4251 7.7962 7.7962 8.0226 8.0226 8.1355 8.1355 8.6128 8.6128 9.2013 9.2013 k = 0.0000 0.0404 0.2358 ( 5553 PWs) bands (ev): -20.5043 -20.5043 -20.4921 -20.4921 -7.2060 -7.2060 -7.1716 -7.1716 -5.3772 -5.3772 -5.3392 -5.3392 -5.0900 -5.0900 -5.0792 -5.0792 -3.3467 -3.3467 -3.2003 -3.2003 -0.0577 -0.0577 0.6918 0.6918 4.0431 4.0431 4.5968 4.5968 5.0214 5.0214 5.0669 5.0669 5.1966 5.1966 6.3632 6.3632 6.4459 6.4459 7.7372 7.7372 8.0195 8.0195 8.1606 8.1606 8.6249 8.6249 9.1781 9.1781 k = 0.0000 0.0538 0.2358 ( 5555 PWs) bands (ev): -20.5043 -20.5043 -20.4920 -20.4920 -7.2065 -7.2065 -7.1724 -7.1724 -5.3800 -5.3800 -5.3397 -5.3397 -5.0910 -5.0910 -5.0805 -5.0805 -3.3400 -3.3400 -3.1949 -3.1949 -0.0522 -0.0522 0.6734 0.6734 4.0309 4.0309 4.6215 4.6215 5.0132 5.0132 5.0675 5.0675 5.2044 5.2044 6.3571 6.3571 6.4698 6.4698 7.6678 7.6678 8.0140 8.0140 8.1870 8.1870 8.6412 8.6412 9.1473 9.1473 k = 0.0000 0.0673 0.2358 ( 5565 PWs) bands (ev): -20.5042 -20.5042 -20.4919 -20.4919 -7.2071 -7.2071 -7.1734 -7.1734 -5.3837 -5.3837 -5.3406 -5.3406 -5.0923 -5.0923 -5.0820 -5.0820 -3.3317 -3.3317 -3.1881 -3.1881 -0.0452 -0.0452 0.6503 0.6503 4.0157 4.0157 4.6520 4.6520 5.0035 5.0035 5.0679 5.0679 5.2148 5.2148 6.3519 6.3519 6.4966 6.4966 7.5921 7.5921 8.0043 8.0043 8.2155 8.2155 8.6605 8.6605 9.1102 9.1102 k = 0.0000 0.0807 0.2358 ( 5567 PWs) bands (ev): -20.5041 -20.5041 -20.4919 -20.4919 -7.2078 -7.2078 -7.1747 -7.1747 -5.3880 -5.3880 -5.3417 -5.3417 -5.0939 -5.0939 -5.0837 -5.0837 -3.3219 -3.3219 -3.1798 -3.1798 -0.0369 -0.0369 0.6231 0.6231 3.9979 3.9979 4.6870 4.6870 4.9927 4.9927 5.0681 5.0681 5.2284 5.2284 6.3472 6.3472 6.5263 6.5263 7.5129 7.5129 7.9899 7.9899 8.2477 8.2477 8.6811 8.6811 9.0689 9.0689 k = 0.0000 0.0942 0.2358 ( 5571 PWs) bands (ev): -20.5040 -20.5040 -20.4918 -20.4918 -7.2087 -7.2087 -7.1761 -7.1761 -5.3930 -5.3930 -5.3431 -5.3431 -5.0956 -5.0956 -5.0853 -5.0853 -3.3109 -3.3109 -3.1700 -3.1700 -0.0274 -0.0274 0.5922 0.5922 3.9778 3.9778 4.7253 4.7253 4.9813 4.9813 5.0679 5.0679 5.2456 5.2456 6.3426 6.3426 6.5584 6.5584 7.4321 7.4321 7.9709 7.9709 8.2847 8.2847 8.7010 8.7010 9.0251 9.0251 k = 0.0000 0.1076 0.2358 ( 5568 PWs) bands (ev): -20.5039 -20.5039 -20.4916 -20.4916 -7.2097 -7.2097 -7.1777 -7.1777 -5.3986 -5.3986 -5.3449 -5.3449 -5.0975 -5.0975 -5.0868 -5.0868 -3.2987 -3.2987 -3.1589 -3.1589 -0.0168 -0.0168 0.5584 0.5584 3.9558 3.9558 4.7648 4.7648 4.9701 4.9701 5.0676 5.0676 5.2672 5.2672 6.3373 6.3373 6.5925 6.5925 7.3514 7.3514 7.9487 7.9487 8.3267 8.3267 8.7183 8.7183 8.9809 8.9809 k = 0.0000 0.1211 0.2358 ( 5575 PWs) bands (ev): -20.5037 -20.5037 -20.4915 -20.4915 -7.2108 -7.2108 -7.1795 -7.1795 -5.4047 -5.4047 -5.3471 -5.3471 -5.0996 -5.0996 -5.0882 -5.0882 -3.2857 -3.2857 -3.1465 -3.1465 -0.0054 -0.0054 0.5221 0.5221 3.9324 3.9324 4.8029 4.8029 4.9600 4.9600 5.0674 5.0674 5.2937 5.2937 6.3310 6.3310 6.6282 6.6282 7.2724 7.2724 7.9244 7.9244 8.3734 8.3734 8.7305 8.7305 8.9387 8.9387 k = 0.0000 0.1345 0.2358 ( 5571 PWs) bands (ev): -20.5036 -20.5036 -20.4914 -20.4914 -7.2120 -7.2120 -7.1815 -7.1815 -5.4112 -5.4112 -5.3497 -5.3497 -5.1017 -5.1017 -5.0893 -5.0893 -3.2721 -3.2721 -3.1329 -3.1329 0.0065 0.0065 0.4841 0.4841 3.9082 3.9082 4.8352 4.8352 4.9532 4.9532 5.0684 5.0684 5.3260 5.3260 6.3230 6.3230 6.6646 6.6646 7.1967 7.1967 7.8992 7.8992 8.4236 8.4236 8.7353 8.7353 8.9015 8.9015 k = 0.0000 0.1480 0.2358 ( 5571 PWs) bands (ev): -20.5035 -20.5035 -20.4912 -20.4912 -7.2133 -7.2133 -7.1836 -7.1836 -5.4182 -5.4182 -5.3526 -5.3526 -5.1038 -5.1038 -5.0901 -5.0901 -3.2580 -3.2580 -3.1183 -3.1183 0.0186 0.0186 0.4451 0.4451 3.8835 3.8835 4.8558 4.8558 4.9528 4.9528 5.0719 5.0719 5.3646 5.3646 6.3128 6.3128 6.7005 6.7005 7.1266 7.1266 7.8742 7.8742 8.4753 8.4753 8.7306 8.7306 8.8728 8.8728 k = 0.0000 0.1615 0.2358 ( 5567 PWs) bands (ev): -20.5033 -20.5033 -20.4911 -20.4911 -7.2146 -7.2146 -7.1859 -7.1859 -5.4255 -5.4255 -5.3558 -5.3558 -5.1058 -5.1058 -5.0906 -5.0906 -3.2436 -3.2436 -3.1026 -3.1026 0.0303 0.0303 0.4061 0.4061 3.8590 3.8590 4.8611 4.8611 4.9589 4.9589 5.0802 5.0802 5.4099 5.4099 6.2999 6.2999 6.7335 6.7335 7.0651 7.0651 7.8502 7.8502 8.5237 8.5237 8.7188 8.7188 8.8542 8.8542 k = 0.0000 0.1749 0.2358 ( 5567 PWs) bands (ev): -20.5031 -20.5031 -20.4909 -20.4909 -7.2161 -7.2161 -7.1882 -7.1882 -5.4330 -5.4330 -5.3594 -5.3594 -5.1077 -5.1077 -5.0907 -5.0907 -3.2291 -3.2291 -3.0862 -3.0862 0.0409 0.0409 0.3682 0.3682 3.8350 3.8350 4.8553 4.8553 4.9653 4.9653 5.0948 5.0948 5.4617 5.4617 6.2838 6.2838 6.7590 6.7590 7.0177 7.0177 7.8277 7.8277 8.5575 8.5575 8.7117 8.7117 8.8444 8.8444 k = 0.0000 0.1884 0.2358 ( 5560 PWs) bands (ev): -20.5030 -20.5030 -20.4907 -20.4907 -7.2176 -7.2176 -7.1906 -7.1906 -5.4407 -5.4407 -5.3633 -5.3633 -5.1096 -5.1096 -5.0905 -5.0905 -3.2146 -3.2146 -3.0692 -3.0692 0.0491 0.0491 0.3327 0.3327 3.8119 3.8119 4.8438 4.8438 4.9671 4.9671 5.1149 5.1149 5.5194 5.5194 6.2641 6.2641 6.7691 6.7691 6.9927 6.9927 7.8072 7.8072 8.5616 8.5616 8.7215 8.7215 8.8453 8.8453 k = 0.0000 0.2018 0.2358 ( 5560 PWs) bands (ev): -20.5028 -20.5028 -20.4906 -20.4906 -7.2191 -7.2191 -7.1931 -7.1931 -5.4484 -5.4484 -5.3675 -5.3675 -5.1113 -5.1113 -5.0900 -5.0900 -3.2002 -3.2002 -3.0519 -3.0519 0.0534 0.0534 0.3017 0.3017 3.7903 3.7903 4.8294 4.8294 4.9639 4.9639 5.1382 5.1382 5.5818 5.5818 6.2409 6.2409 6.7590 6.7590 6.9951 6.9951 7.7890 7.7890 8.5409 8.5409 8.7317 8.7317 8.8676 8.8676 k = 0.0000 0.2153 0.2358 ( 5556 PWs) bands (ev): -20.5026 -20.5026 -20.4904 -20.4904 -7.2206 -7.2206 -7.1956 -7.1956 -5.4560 -5.4560 -5.3718 -5.3718 -5.1128 -5.1128 -5.0892 -5.0892 -3.1860 -3.1860 -3.0344 -3.0344 0.0515 0.0515 0.2774 0.2774 3.7706 3.7706 4.8133 4.8133 4.9570 4.9570 5.1625 5.1625 5.6475 5.6475 6.2146 6.2146 6.7353 6.7353 7.0187 7.0187 7.7731 7.7731 8.5096 8.5096 8.7230 8.7230 8.9148 8.9148 k = 0.0000 0.2287 0.2358 ( 5557 PWs) bands (ev): -20.5025 -20.5025 -20.4902 -20.4902 -7.2222 -7.2222 -7.1982 -7.1982 -5.4635 -5.4635 -5.3763 -5.3763 -5.1142 -5.1142 -5.0880 -5.0880 -3.1721 -3.1721 -3.0170 -3.0170 0.0418 0.0418 0.2619 0.2619 3.7529 3.7529 4.7960 4.7960 4.9475 4.9475 5.1867 5.1867 5.7144 5.7144 6.1865 6.1865 6.7073 6.7073 7.0533 7.0533 7.7597 7.7597 8.4749 8.4749 8.6993 8.6993 8.9747 8.9747 k = 0.0000 0.2422 0.2358 ( 5553 PWs) bands (ev): -20.5023 -20.5023 -20.4901 -20.4901 -7.2237 -7.2237 -7.2007 -7.2007 -5.4708 -5.4708 -5.3810 -5.3810 -5.1154 -5.1154 -5.0866 -5.0866 -3.1584 -3.1584 -2.9999 -2.9999 0.0241 0.0241 0.2553 0.2553 3.7378 3.7378 4.7777 4.7777 4.9363 4.9363 5.2101 5.2101 5.7798 5.7798 6.1587 6.1587 6.6805 6.6805 7.0929 7.0929 7.7486 7.7486 8.4393 8.4393 8.6661 8.6661 9.0368 9.0368 k = 0.0000 0.2556 0.2358 ( 5545 PWs) bands (ev): -20.5021 -20.5021 -20.4899 -20.4899 -7.2252 -7.2252 -7.2032 -7.2032 -5.4778 -5.4778 -5.3856 -5.3856 -5.1166 -5.1166 -5.0850 -5.0850 -3.1452 -3.1452 -2.9833 -2.9833 0.0002 0.0002 0.2562 0.2562 3.7254 3.7254 4.7587 4.7587 4.9239 4.9239 5.2326 5.2326 5.8392 5.8392 6.1358 6.1358 6.6567 6.6567 7.1342 7.1342 7.7396 7.7396 8.4036 8.4036 8.6266 8.6266 9.0926 9.0926 k = 0.0000 0.2691 0.2358 ( 5544 PWs) bands (ev): -20.5020 -20.5020 -20.4897 -20.4897 -7.2267 -7.2267 -7.2057 -7.2057 -5.4843 -5.4843 -5.3903 -5.3903 -5.1176 -5.1176 -5.0832 -5.0832 -3.1323 -3.1323 -2.9676 -2.9676 -0.0274 -0.0274 0.2619 0.2619 3.7159 3.7159 4.7388 4.7388 4.9108 4.9108 5.2539 5.2539 5.8846 5.8846 6.1259 6.1259 6.6367 6.6367 7.1754 7.1754 7.7325 7.7325 8.3677 8.3677 8.5828 8.5828 9.0694 9.0694 k = 0.0000 0.2825 0.2358 ( 5535 PWs) bands (ev): -20.5018 -20.5018 -20.4896 -20.4896 -7.2281 -7.2281 -7.2080 -7.2080 -5.4904 -5.4904 -5.3950 -5.3950 -5.1186 -5.1186 -5.0812 -5.0812 -3.1198 -3.1198 -2.9529 -2.9529 -0.0565 -0.0565 0.2705 0.2705 3.7096 3.7096 4.7182 4.7182 4.8973 4.8973 5.2739 5.2739 5.9054 5.9054 6.1392 6.1392 6.6205 6.6205 7.2153 7.2153 7.7270 7.7270 8.3312 8.3312 8.5366 8.5366 9.0051 9.0051 k = 0.0000 0.2960 0.2358 ( 5533 PWs) bands (ev): -20.5017 -20.5017 -20.4894 -20.4894 -7.2294 -7.2294 -7.2103 -7.2103 -5.4959 -5.4959 -5.3996 -5.3996 -5.1194 -5.1194 -5.0791 -5.0791 -3.1078 -3.1078 -2.9394 -2.9394 -0.0855 -0.0855 0.2805 0.2805 3.7067 3.7067 4.6968 4.6968 4.8837 4.8837 5.2926 5.2926 5.9013 5.9013 6.1760 6.1760 6.6083 6.6083 7.2529 7.2529 7.7224 7.7224 8.2932 8.2932 8.4902 8.4902 8.9446 8.9446 k = 0.0000 0.3095 0.2358 ( 5527 PWs) bands (ev): -20.5016 -20.5016 -20.4893 -20.4893 -7.2306 -7.2306 -7.2124 -7.2124 -5.5009 -5.5009 -5.4041 -5.4041 -5.1203 -5.1203 -5.0769 -5.0769 -3.0963 -3.0963 -2.9275 -2.9275 -0.1134 -0.1134 0.2909 0.2909 3.7071 3.7071 4.6748 4.6748 4.8706 4.8706 5.3098 5.3098 5.8830 5.8830 6.2245 6.2245 6.6007 6.6007 7.2872 7.2872 7.7181 7.7181 8.2525 8.2525 8.4456 8.4456 8.8896 8.8896 k = 0.0000 0.3229 0.2358 ( 5523 PWs) bands (ev): -20.5015 -20.5015 -20.4892 -20.4892 -7.2317 -7.2317 -7.2144 -7.2144 -5.5051 -5.5051 -5.4084 -5.4084 -5.1211 -5.1211 -5.0747 -5.0747 -3.0852 -3.0852 -2.9172 -2.9172 -0.1393 -0.1393 0.3009 0.3009 3.7110 3.7110 4.6521 4.6521 4.8580 4.8580 5.3253 5.3253 5.8593 5.8593 6.2741 6.2741 6.5993 6.5993 7.3176 7.3176 7.7133 7.7133 8.2089 8.2089 8.4042 8.4042 8.8414 8.8414 k = 0.0000 0.3364 0.2358 ( 5519 PWs) bands (ev): -20.5014 -20.5014 -20.4890 -20.4890 -7.2327 -7.2327 -7.2162 -7.2162 -5.5087 -5.5087 -5.4125 -5.4125 -5.1219 -5.1219 -5.0725 -5.0725 -3.0745 -3.0745 -2.9087 -2.9087 -0.1629 -0.1629 0.3102 0.3102 3.7184 3.7184 4.6290 4.6290 4.8463 4.8463 5.3391 5.3391 5.8348 5.8348 6.3175 6.3175 6.6062 6.6062 7.3435 7.3435 7.7067 7.7067 8.1629 8.1629 8.3668 8.3668 8.8010 8.8010 k = 0.0000 0.3498 0.2358 ( 5523 PWs) bands (ev): -20.5013 -20.5013 -20.4889 -20.4889 -7.2335 -7.2335 -7.2177 -7.2177 -5.5116 -5.5116 -5.4165 -5.4165 -5.1227 -5.1227 -5.0703 -5.0703 -3.0643 -3.0643 -2.9023 -2.9023 -0.1835 -0.1835 0.3183 0.3183 3.7293 3.7293 4.6057 4.6057 4.8357 4.8357 5.3510 5.3510 5.8115 5.8115 6.3496 6.3496 6.6239 6.6239 7.3646 7.3646 7.6970 7.6970 8.1163 8.1163 8.3332 8.3332 8.7692 8.7692 k = 0.0000 0.3633 0.2358 ( 5523 PWs) bands (ev): -20.5012 -20.5012 -20.4889 -20.4889 -7.2342 -7.2342 -7.2191 -7.2191 -5.5137 -5.5137 -5.4201 -5.4201 -5.1236 -5.1236 -5.0682 -5.0682 -3.0546 -3.0546 -2.8982 -2.8982 -0.2010 -0.2010 0.3249 0.3249 3.7436 3.7436 4.5823 4.5823 4.8263 4.8263 5.3609 5.3609 5.7905 5.7905 6.3683 6.3683 6.6528 6.6528 7.3806 7.3806 7.6827 7.6827 8.0719 8.0719 8.3028 8.3028 8.7466 8.7466 k = 0.0000 0.3767 0.2358 ( 5520 PWs) bands (ev): -20.5012 -20.5012 -20.4888 -20.4888 -7.2348 -7.2348 -7.2201 -7.2201 -5.5149 -5.5149 -5.4236 -5.4236 -5.1244 -5.1244 -5.0662 -5.0662 -3.0453 -3.0453 -2.8964 -2.8964 -0.2149 -0.2149 0.3298 0.3298 3.7612 3.7612 4.5592 4.5592 4.8183 4.8183 5.3686 5.3686 5.7724 5.7724 6.3751 6.3751 6.6900 6.6900 7.3912 7.3912 7.6627 7.6627 8.0324 8.0324 8.2751 8.2751 8.7333 8.7333 k = 0.0000 0.3902 0.2358 ( 5521 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2353 -7.2353 -7.2209 -7.2209 -5.5154 -5.5154 -5.4268 -5.4268 -5.1253 -5.1253 -5.0642 -5.0642 -3.0365 -3.0365 -2.8971 -2.8971 -0.2252 -0.2252 0.3328 0.3328 3.7821 3.7821 4.5367 4.5367 4.8117 4.8117 5.3740 5.3740 5.7572 5.7572 6.3732 6.3732 6.7308 6.7308 7.3954 7.3954 7.6378 7.6378 8.0000 8.0000 8.2499 8.2499 8.7291 8.7291 k = 0.0000 0.3902 0.2358 ( 5521 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2353 -7.2353 -7.2209 -7.2209 -5.5154 -5.5154 -5.4268 -5.4268 -5.1253 -5.1253 -5.0642 -5.0642 -3.0365 -3.0365 -2.8971 -2.8971 -0.2252 -0.2252 0.3328 0.3328 3.7821 3.7821 4.5367 4.5367 4.8117 4.8117 5.3740 5.3740 5.7572 5.7572 6.3732 6.3732 6.7308 6.7308 7.3954 7.3954 7.6378 7.6378 8.0000 8.0000 8.2499 8.2499 8.7291 8.7291 k = 0.0000 0.3946 0.2235 ( 5520 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2358 -7.2358 -7.2206 -7.2206 -5.5122 -5.5122 -5.4316 -5.4316 -5.1260 -5.1260 -5.0631 -5.0631 -3.0276 -3.0276 -2.9039 -2.9039 -0.2233 -0.2233 0.3310 0.3310 3.8015 3.8015 4.4826 4.4826 4.8103 4.8103 5.3649 5.3649 5.7926 5.7926 6.4013 6.4013 6.7244 6.7244 7.3719 7.3719 7.6607 7.6607 7.9932 7.9932 8.2663 8.2663 8.7190 8.7190 k = 0.0000 0.3989 0.2112 ( 5516 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2363 -7.2363 -7.2203 -7.2203 -5.5088 -5.5088 -5.4364 -5.4364 -5.1266 -5.1266 -5.0621 -5.0621 -3.0180 -3.0180 -2.9119 -2.9119 -0.2214 -0.2214 0.3291 0.3291 3.8240 3.8240 4.4283 4.4283 4.8115 4.8115 5.3560 5.3560 5.8268 5.8268 6.4263 6.4263 6.7130 6.7130 7.3484 7.3484 7.6884 7.6884 7.9844 7.9844 8.2836 8.2836 8.7089 8.7089 k = 0.0000 0.4033 0.1989 ( 5525 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2366 -7.2366 -7.2201 -7.2201 -5.5053 -5.5053 -5.4412 -5.4412 -5.1270 -5.1270 -5.0612 -5.0612 -3.0078 -3.0078 -2.9208 -2.9208 -0.2197 -0.2197 0.3274 0.3274 3.8484 3.8484 4.3766 4.3766 4.8138 4.8138 5.3480 5.3480 5.8582 5.8582 6.4488 6.4488 6.6973 6.6973 7.3274 7.3274 7.7178 7.7178 7.9742 7.9742 8.3006 8.3006 8.6992 8.6992 k = 0.0000 0.4077 0.1866 ( 5525 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2369 -7.2369 -7.2200 -7.2200 -5.5020 -5.5020 -5.4455 -5.4455 -5.1274 -5.1274 -5.0606 -5.0606 -2.9970 -2.9970 -2.9306 -2.9306 -0.2182 -0.2182 0.3259 0.3259 3.8731 3.8731 4.3299 4.3299 4.8163 4.8163 5.3413 5.3413 5.8851 5.8851 6.4690 6.4690 6.6790 6.6790 7.3103 7.3103 7.7461 7.7461 7.9630 7.9630 8.3158 8.3158 8.6905 8.6905 k = 0.0000 0.4121 0.1743 ( 5528 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2371 -7.2371 -7.2198 -7.2198 -5.4991 -5.4991 -5.4491 -5.4491 -5.1276 -5.1276 -5.0601 -5.0601 -2.9859 -2.9859 -2.9409 -2.9409 -0.2171 -0.2171 0.3248 0.3248 3.8956 3.8956 4.2914 4.2914 4.8184 4.8184 5.3362 5.3362 5.9060 5.9060 6.4865 6.4865 6.6608 6.6608 7.2980 7.2980 7.7706 7.7706 7.9520 7.9520 8.3280 8.3280 8.6835 8.6835 k = 0.0000 0.4164 0.1620 ( 5537 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2372 -7.2372 -7.2198 -7.2198 -5.4972 -5.4972 -5.4515 -5.4515 -5.1277 -5.1277 -5.0598 -5.0598 -2.9747 -2.9747 -2.9517 -2.9517 -0.2164 -0.2164 0.3241 0.3241 3.9119 3.9119 4.2653 4.2653 4.8199 4.8199 5.3330 5.3330 5.9192 5.9192 6.4993 6.4993 6.6466 6.6466 7.2905 7.2905 7.7880 7.7880 7.9434 7.9434 8.3358 8.3358 8.6788 8.6788 k = 0.0000 0.4208 0.1497 ( 5538 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2373 -7.2373 -7.2197 -7.2197 -5.4964 -5.4964 -5.4524 -5.4524 -5.1278 -5.1278 -5.0597 -5.0597 -2.9656 -2.9656 -2.9607 -2.9607 -0.2161 -0.2161 0.3239 0.3239 3.9180 3.9180 4.2559 4.2559 4.8204 4.8204 5.3319 5.3319 5.9237 5.9237 6.5043 6.5043 6.6410 6.6410 7.2880 7.2880 7.7944 7.7944 7.9399 7.9399 8.3385 8.3385 8.6772 8.6772 k = 0.0000 0.4208 0.1497 ( 5538 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2373 -7.2373 -7.2197 -7.2197 -5.4964 -5.4964 -5.4524 -5.4524 -5.1278 -5.1278 -5.0597 -5.0597 -2.9656 -2.9656 -2.9607 -2.9607 -0.2161 -0.2161 0.3239 0.3239 3.9180 3.9180 4.2559 4.2559 4.8204 4.8204 5.3319 5.3319 5.9237 5.9237 6.5043 6.5043 6.6410 6.6410 7.2880 7.2880 7.7944 7.7944 7.9399 7.9399 8.3385 8.3385 8.6772 8.6772 k = 0.0135 0.4208 0.1497 ( 5532 PWs) bands (ev): -20.5010 -20.5010 -20.4887 -20.4887 -7.2373 -7.2373 -7.2198 -7.2198 -5.4962 -5.4962 -5.4521 -5.4521 -5.1283 -5.1283 -5.0602 -5.0602 -2.9652 -2.9652 -2.9592 -2.9592 -0.2164 -0.2164 0.3215 0.3215 3.9197 3.9197 4.2564 4.2564 4.8159 4.8159 5.3127 5.3127 5.9271 5.9271 6.5115 6.5115 6.6445 6.6445 7.2802 7.2802 7.7857 7.7857 7.9500 7.9500 8.3479 8.3479 8.6853 8.6853 k = 0.0270 0.4208 0.1497 ( 5530 PWs) bands (ev): -20.5009 -20.5009 -20.4886 -20.4886 -7.2374 -7.2374 -7.2198 -7.2198 -5.4954 -5.4954 -5.4513 -5.4513 -5.1297 -5.1297 -5.0616 -5.0616 -2.9636 -2.9636 -2.9550 -2.9550 -0.2172 -0.2172 0.3144 0.3144 3.9247 3.9247 4.2579 4.2579 4.8026 4.8026 5.2590 5.2590 5.9357 5.9357 6.5290 6.5290 6.6558 6.6558 7.2575 7.2575 7.7675 7.7675 7.9745 7.9745 8.3751 8.3751 8.7090 8.7090 k = 0.0405 0.4208 0.1497 ( 5540 PWs) bands (ev): -20.5006 -20.5006 -20.4884 -20.4884 -7.2375 -7.2375 -7.2200 -7.2200 -5.4941 -5.4941 -5.4499 -5.4499 -5.1322 -5.1322 -5.0639 -5.0639 -2.9606 -2.9606 -2.9485 -2.9485 -0.2187 -0.2187 0.3026 0.3026 3.9330 3.9330 4.2600 4.2600 4.7812 4.7812 5.1797 5.1797 5.9462 5.9462 6.5461 6.5461 6.6758 6.6758 7.2225 7.2225 7.7521 7.7521 8.0067 8.0067 8.4173 8.4173 8.7461 8.7461 k = 0.0541 0.4208 0.1497 ( 5528 PWs) bands (ev): -20.5003 -20.5003 -20.4882 -20.4882 -7.2377 -7.2377 -7.2201 -7.2201 -5.4922 -5.4922 -5.4480 -5.4480 -5.1355 -5.1355 -5.0671 -5.0671 -2.9559 -2.9559 -2.9398 -2.9398 -0.2207 -0.2207 0.2860 0.2860 3.9444 3.9444 4.2627 4.2627 4.7526 4.7526 5.0837 5.0837 5.9565 5.9565 6.5535 6.5535 6.7011 6.7011 7.1788 7.1788 7.7493 7.7493 8.0439 8.0439 8.4715 8.4715 8.7942 8.7942 k = 0.0676 0.4208 0.1497 ( 5518 PWs) bands (ev): -20.5000 -20.5000 -20.4879 -20.4879 -7.2380 -7.2380 -7.2204 -7.2204 -5.4899 -5.4899 -5.4455 -5.4455 -5.1397 -5.1397 -5.0711 -5.0711 -2.9497 -2.9497 -2.9289 -2.9289 -0.2236 -0.2236 0.2649 0.2649 3.9590 3.9590 4.2651 4.2651 4.7179 4.7179 4.9783 4.9783 5.9660 5.9660 6.5473 6.5473 6.7222 6.7222 7.1309 7.1309 7.7661 7.7661 8.0857 8.0857 8.5346 8.5346 8.8504 8.8504 k = 0.0811 0.4208 0.1497 ( 5522 PWs) bands (ev): -20.4995 -20.4995 -20.4876 -20.4876 -7.2383 -7.2383 -7.2206 -7.2206 -5.4871 -5.4871 -5.4426 -5.4426 -5.1448 -5.1448 -5.0760 -5.0760 -2.9418 -2.9418 -2.9158 -2.9158 -0.2272 -0.2272 0.2392 0.2392 3.9766 3.9766 4.2665 4.2665 4.6782 4.6782 4.8695 4.8695 5.9744 5.9744 6.5260 6.5260 6.7305 6.7305 7.0833 7.0833 7.8061 7.8061 8.1320 8.1320 8.6044 8.6044 8.9124 8.9124 k = 0.0946 0.4208 0.1497 ( 5518 PWs) bands (ev): -20.4990 -20.4990 -20.4872 -20.4872 -7.2387 -7.2387 -7.2210 -7.2210 -5.4839 -5.4839 -5.4391 -5.4391 -5.1507 -5.1507 -5.0815 -5.0815 -2.9324 -2.9324 -2.9004 -2.9004 -0.2319 -0.2319 0.2089 0.2089 3.9969 3.9969 4.2651 4.2651 4.6331 4.6331 4.7637 4.7637 5.9820 5.9820 6.4885 6.4885 6.7219 6.7219 7.0400 7.0400 7.8689 7.8689 8.1822 8.1822 8.6797 8.6797 8.9780 8.9780 k = 0.1081 0.4208 0.1497 ( 5516 PWs) bands (ev): -20.4984 -20.4984 -20.4868 -20.4868 -7.2391 -7.2391 -7.2214 -7.2214 -5.4802 -5.4802 -5.4352 -5.4352 -5.1573 -5.1573 -5.0878 -5.0878 -2.9214 -2.9214 -2.8827 -2.8827 -0.2376 -0.2376 0.1743 0.1743 4.0198 4.0198 4.2578 4.2578 4.5788 4.5788 4.6715 4.6715 5.9887 5.9887 6.4348 6.4348 6.6974 6.6974 7.0031 7.0031 7.9503 7.9503 8.2354 8.2354 8.7597 8.7597 9.0455 9.0455 k = 0.1216 0.4208 0.1497 ( 5516 PWs) bands (ev): -20.4977 -20.4977 -20.4863 -20.4863 -7.2396 -7.2396 -7.2219 -7.2219 -5.4761 -5.4761 -5.4308 -5.4308 -5.1645 -5.1645 -5.0947 -5.0947 -2.9088 -2.9088 -2.8628 -2.8628 -0.2447 -0.2447 0.1354 0.1354 4.0449 4.0449 4.2389 4.2389 4.5102 4.5102 4.6062 4.6062 5.9941 5.9941 6.3666 6.3666 6.6600 6.6600 6.9726 6.9726 8.0441 8.0441 8.2904 8.2904 8.8443 8.8443 9.1131 9.1131 k = 0.1351 0.4208 0.1497 ( 5522 PWs) bands (ev): -20.4970 -20.4970 -20.4858 -20.4858 -7.2402 -7.2402 -7.2225 -7.2225 -5.4717 -5.4717 -5.4260 -5.4260 -5.1723 -5.1723 -5.1021 -5.1021 -2.8946 -2.8946 -2.8407 -2.8407 -0.2532 -0.2532 0.0923 0.0923 4.0716 4.0716 4.2002 4.2002 4.4417 4.4417 4.5645 4.5645 5.9975 5.9975 6.2870 6.2870 6.6134 6.6134 6.9471 6.9471 8.1439 8.1439 8.3462 8.3462 8.9337 8.9337 9.1796 9.1796 k = 0.1486 0.4208 0.1497 ( 5524 PWs) bands (ev): -20.4962 -20.4962 -20.4852 -20.4852 -7.2408 -7.2408 -7.2232 -7.2232 -5.4670 -5.4670 -5.4209 -5.4209 -5.1806 -5.1806 -5.1100 -5.1100 -2.8788 -2.8788 -2.8163 -2.8163 -0.2633 -0.2633 0.0453 0.0453 4.0974 4.0974 4.1386 4.1386 4.3890 4.3890 4.5374 4.5374 5.9977 5.9977 6.2001 6.2001 6.5614 6.5614 6.9245 6.9245 8.2439 8.2439 8.4019 8.4019 9.0281 9.0281 9.2436 9.2436 k = 0.1622 0.4208 0.1497 ( 5524 PWs) bands (ev): -20.4954 -20.4954 -20.4846 -20.4846 -7.2415 -7.2415 -7.2240 -7.2240 -5.4619 -5.4619 -5.4154 -5.4154 -5.1892 -5.1892 -5.1182 -5.1182 -2.8613 -2.8613 -2.7898 -2.7898 -0.2754 -0.2754 -0.0055 -0.0055 4.0513 4.0513 4.1306 4.1306 4.3507 4.3507 4.5221 4.5221 5.9904 5.9904 6.1118 6.1118 6.5069 6.5069 6.9030 6.9030 8.3381 8.3381 8.4582 8.4582 9.1274 9.1274 9.3046 9.3046 k = 0.1757 0.4208 0.1497 ( 5534 PWs) bands (ev): -20.4945 -20.4945 -20.4840 -20.4840 -7.2422 -7.2422 -7.2249 -7.2249 -5.4567 -5.4567 -5.4097 -5.4097 -5.1982 -5.1982 -5.1267 -5.1267 -2.8422 -2.8422 -2.7610 -2.7610 -0.2896 -0.2896 -0.0599 -0.0599 3.9621 3.9621 4.1552 4.1552 4.3217 4.3217 4.5162 4.5162 5.9577 5.9577 6.0416 6.0416 6.4526 6.4526 6.8812 6.8812 8.4201 8.4201 8.5176 8.5176 9.2306 9.2306 9.3634 9.3634 k = 0.1892 0.4208 0.1497 ( 5532 PWs) bands (ev): -20.4935 -20.4935 -20.4833 -20.4833 -7.2431 -7.2431 -7.2259 -7.2259 -5.4513 -5.4513 -5.4037 -5.4037 -5.2073 -5.2073 -5.1354 -5.1354 -2.8214 -2.8214 -2.7300 -2.7300 -0.3061 -0.3061 -0.1177 -0.1177 3.8710 3.8710 4.1723 4.1723 4.3041 4.3041 4.5173 4.5173 5.8787 5.8787 6.0108 6.0108 6.4009 6.4009 6.8581 6.8581 8.4846 8.4846 8.5832 8.5832 9.3339 9.3339 9.4231 9.4231 k = 0.2027 0.4208 0.1497 ( 5540 PWs) bands (ev): -20.4926 -20.4926 -20.4826 -20.4826 -7.2440 -7.2440 -7.2270 -7.2270 -5.4458 -5.4458 -5.3976 -5.3976 -5.2165 -5.2165 -5.1442 -5.1442 -2.7989 -2.7989 -2.6968 -2.6968 -0.3252 -0.3252 -0.1785 -0.1785 3.7821 3.7821 4.1733 4.1733 4.3047 4.3047 4.5229 4.5229 5.7825 5.7825 5.9909 5.9909 6.3539 6.3539 6.8332 6.8332 8.5334 8.5334 8.6525 8.6525 9.4246 9.4246 9.4956 9.4956 k = 0.2162 0.4208 0.1497 ( 5548 PWs) bands (ev): -20.4915 -20.4915 -20.4820 -20.4820 -7.2449 -7.2449 -7.2282 -7.2282 -5.4402 -5.4402 -5.3913 -5.3913 -5.2257 -5.2257 -5.1530 -5.1530 -2.7746 -2.7746 -2.6615 -2.6615 -0.3470 -0.3470 -0.2422 -0.2422 3.6975 3.6975 4.1588 4.1588 4.3226 4.3226 4.5311 4.5311 5.6835 5.6835 5.9683 5.9683 6.3129 6.3129 6.8061 6.8061 8.5720 8.5720 8.7203 8.7203 9.4901 9.4901 9.5923 9.5923 k = 0.2297 0.4208 0.1497 ( 5546 PWs) bands (ev): -20.4905 -20.4905 -20.4813 -20.4813 -7.2459 -7.2459 -7.2295 -7.2295 -5.4346 -5.4346 -5.3851 -5.3851 -5.2348 -5.2348 -5.1616 -5.1616 -2.7486 -2.7486 -2.6241 -2.6241 -0.3720 -0.3720 -0.3083 -0.3083 3.6182 3.6182 4.1369 4.1369 4.3490 4.3490 4.5408 4.5408 5.5854 5.5854 5.9407 5.9407 6.2784 6.2784 6.7766 6.7766 8.6041 8.6041 8.7841 8.7841 9.5433 9.5433 9.6981 9.6981 k = 0.2432 0.4208 0.1497 ( 5560 PWs) bands (ev): -20.4895 -20.4895 -20.4806 -20.4806 -7.2469 -7.2469 -7.2309 -7.2309 -5.4292 -5.4292 -5.3789 -5.3789 -5.2435 -5.2435 -5.1701 -5.1701 -2.7208 -2.7208 -2.5846 -2.5846 -0.4009 -0.4009 -0.3759 -0.3759 3.5452 3.5452 4.1133 4.1133 4.3776 4.3776 4.5510 4.5510 5.4903 5.4903 5.9085 5.9085 6.2496 6.2496 6.7448 6.7448 8.6317 8.6317 8.8432 8.8432 9.5930 9.5930 9.8018 9.8018 k = 0.2568 0.4208 0.1497 ( 5560 PWs) bands (ev): -20.4884 -20.4884 -20.4799 -20.4799 -7.2480 -7.2480 -7.2324 -7.2324 -5.4239 -5.4239 -5.3730 -5.3730 -5.2518 -5.2518 -5.1783 -5.1783 -2.6912 -2.6912 -2.5430 -2.5430 -0.4500 -0.4500 -0.4286 -0.4286 3.4789 3.4789 4.0902 4.0902 4.4046 4.4046 4.5609 4.5609 5.4002 5.4002 5.8735 5.8735 6.2253 6.2253 6.7107 6.7107 8.6563 8.6563 8.8979 8.8979 9.6418 9.6418 9.8977 9.8977 k = 0.2703 0.4208 0.1497 ( 5560 PWs) bands (ev): -20.4873 -20.4873 -20.4792 -20.4792 -7.2491 -7.2491 -7.2339 -7.2339 -5.4188 -5.4188 -5.3675 -5.3675 -5.2596 -5.2596 -5.1861 -5.1861 -2.6598 -2.6598 -2.4995 -2.4995 -0.5211 -0.5211 -0.4643 -0.4643 3.4198 3.4198 4.0686 4.0686 4.4274 4.4274 4.5700 4.5700 5.3175 5.3175 5.8376 5.8376 6.2037 6.2037 6.6744 6.6744 8.6788 8.6788 8.9487 8.9487 9.6906 9.6906 9.9816 9.9816 k = 0.2838 0.4208 0.1497 ( 5554 PWs) bands (ev): -20.4863 -20.4863 -20.4785 -20.4785 -7.2502 -7.2502 -7.2356 -7.2356 -5.4140 -5.4140 -5.3625 -5.3625 -5.2664 -5.2664 -5.1934 -5.1934 -2.6264 -2.6264 -2.4540 -2.4540 -0.5946 -0.5946 -0.5024 -0.5024 3.3681 3.3681 4.0488 4.0488 4.4434 4.4434 4.5770 4.5770 5.2449 5.2449 5.8029 5.8029 6.1833 6.1833 6.6361 6.6361 8.7000 8.7000 8.9959 8.9959 9.7399 9.7399 10.0506 10.0506 k = 0.2973 0.4208 0.1497 ( 5558 PWs) bands (ev): -20.4852 -20.4852 -20.4779 -20.4779 -7.2514 -7.2514 -7.2373 -7.2373 -5.4096 -5.4096 -5.3583 -5.3583 -5.2722 -5.2722 -5.2002 -5.2002 -2.5912 -2.5912 -2.4066 -2.4066 -0.6693 -0.6693 -0.5438 -0.5438 3.3240 3.3240 4.0307 4.0307 4.4506 4.4506 4.5803 4.5803 5.1860 5.1860 5.7708 5.7708 6.1632 6.1632 6.5962 6.5962 8.7206 8.7206 9.0397 9.0397 9.7899 9.7899 10.1051 10.1051 k = 0.3108 0.4208 0.1497 ( 5560 PWs) bands (ev): -20.4842 -20.4842 -20.4773 -20.4773 -7.2525 -7.2525 -7.2390 -7.2390 -5.4056 -5.4056 -5.3553 -5.3553 -5.2767 -5.2767 -5.2064 -5.2064 -2.5541 -2.5541 -2.3574 -2.3574 -0.7448 -0.7448 -0.5884 -0.5884 3.2875 3.2875 4.0141 4.0141 4.4472 4.4472 4.5782 4.5782 5.1442 5.1442 5.7425 5.7425 6.1425 6.1425 6.5548 6.5548 8.7411 8.7411 9.0803 9.0803 9.8408 9.8408 10.1482 10.1482 k = 0.3243 0.4208 0.1497 ( 5562 PWs) bands (ev): -20.4832 -20.4832 -20.4767 -20.4767 -7.2536 -7.2536 -7.2408 -7.2408 -5.4021 -5.4021 -5.3536 -5.3536 -5.2795 -5.2795 -5.2121 -5.2121 -2.5150 -2.5150 -2.3064 -2.3064 -0.8209 -0.8209 -0.6363 -0.6363 3.2586 3.2586 3.9985 3.9985 4.4322 4.4322 4.5698 4.5698 5.1216 5.1216 5.7188 5.7188 6.1207 6.1207 6.5121 6.5121 8.7620 8.7620 9.1172 9.1172 9.8925 9.8925 10.1835 10.1835 k = 0.3378 0.4208 0.1497 ( 5574 PWs) bands (ev): -20.4822 -20.4822 -20.4761 -20.4761 -7.2546 -7.2546 -7.2426 -7.2426 -5.3990 -5.3990 -5.3533 -5.3533 -5.2806 -5.2806 -5.2170 -5.2170 -2.4740 -2.4740 -2.2539 -2.2539 -0.8971 -0.8971 -0.6873 -0.6873 3.2373 3.2373 3.9830 3.9830 4.4060 4.4060 4.5562 4.5562 5.1174 5.1174 5.7001 5.7001 6.0977 6.0977 6.4686 6.4686 8.7837 8.7837 9.1502 9.1502 9.9450 9.9450 10.2137 10.2137 k = 0.3514 0.4208 0.1497 ( 5572 PWs) bands (ev): -20.4812 -20.4812 -20.4756 -20.4756 -7.2556 -7.2556 -7.2444 -7.2444 -5.3965 -5.3965 -5.3544 -5.3544 -5.2802 -5.2802 -5.2214 -5.2214 -2.4311 -2.4311 -2.1998 -2.1998 -0.9732 -0.9732 -0.7411 -0.7411 3.2235 3.2235 3.9664 3.9664 4.3711 4.3711 4.5389 4.5389 5.1289 5.1289 5.6865 5.6865 6.0735 6.0735 6.4244 6.4244 8.8062 8.8062 9.1785 9.1785 9.9981 9.9981 10.2407 10.2407 k = 0.3649 0.4208 0.1497 ( 5576 PWs) bands (ev): -20.4803 -20.4803 -20.4752 -20.4752 -7.2565 -7.2565 -7.2462 -7.2462 -5.3944 -5.3944 -5.3565 -5.3565 -5.2784 -5.2784 -5.2251 -5.2251 -2.3862 -2.3862 -2.1446 -2.1446 -1.0487 -1.0487 -0.7975 -0.7975 3.2170 3.2170 3.9470 3.9470 4.3320 4.3320 4.5191 4.5191 5.1521 5.1521 5.6778 5.6778 6.0483 6.0483 6.3798 6.3798 8.8298 8.8298 9.2015 9.2015 10.0517 10.0517 10.2661 10.2661 k = 0.3784 0.4208 0.1497 ( 5578 PWs) bands (ev): -20.4794 -20.4794 -20.4748 -20.4748 -7.2574 -7.2574 -7.2480 -7.2480 -5.3927 -5.3927 -5.3594 -5.3594 -5.2757 -5.2757 -5.2283 -5.2283 -2.3395 -2.3395 -2.0883 -2.0883 -1.1233 -1.1233 -0.8562 -0.8562 3.2174 3.2174 3.9228 3.9228 4.2939 4.2939 4.4974 4.4974 5.1835 5.1835 5.6734 5.6734 6.0225 6.0225 6.3352 6.3352 8.8546 8.8546 9.2187 9.2187 10.1054 10.1054 10.2913 10.2913 k = 0.3919 0.4208 0.1497 ( 5586 PWs) bands (ev): -20.4786 -20.4786 -20.4745 -20.4745 -7.2581 -7.2581 -7.2496 -7.2496 -5.3913 -5.3913 -5.3626 -5.3626 -5.2725 -5.2725 -5.2310 -5.2310 -2.2909 -2.2909 -2.0314 -2.0314 -1.1964 -1.1964 -0.9170 -0.9170 3.2246 3.2246 3.8918 3.8918 4.2616 4.2616 4.4741 4.4741 5.2204 5.2204 5.6723 5.6723 5.9967 5.9967 6.2907 6.2907 8.8805 8.8805 9.2294 9.2294 10.1591 10.1591 10.3174 10.3174 k = 0.4054 0.4208 0.1497 ( 5590 PWs) bands (ev): -20.4778 -20.4778 -20.4742 -20.4742 -7.2587 -7.2587 -7.2512 -7.2512 -5.3903 -5.3903 -5.3660 -5.3660 -5.2689 -5.2689 -5.2333 -5.2333 -2.2405 -2.2405 -1.9746 -1.9746 -1.2673 -1.2673 -0.9793 -0.9793 3.2383 3.2383 3.8532 3.8532 4.2379 4.2379 4.4494 4.4494 5.2610 5.2610 5.6732 5.6732 5.9722 5.9722 6.2467 6.2467 8.9076 8.9076 9.2335 9.2335 10.2121 10.2121 10.3447 10.3447 k = 0.4189 0.4208 0.1497 ( 5580 PWs) bands (ev): -20.4771 -20.4771 -20.4740 -20.4740 -7.2592 -7.2592 -7.2527 -7.2527 -5.3895 -5.3895 -5.3694 -5.3694 -5.2652 -5.2652 -5.2354 -5.2354 -2.1884 -2.1884 -1.9189 -1.9189 -1.3348 -1.3348 -1.0430 -1.0430 3.2582 3.2582 3.8075 3.8075 4.2238 4.2238 4.4237 4.4237 5.3038 5.3038 5.6740 5.6740 5.9505 5.9505 6.2034 6.2034 8.9358 8.9358 9.2311 9.2311 10.2638 10.2638 10.3733 10.3733 k = 0.4324 0.4208 0.1497 ( 5578 PWs) bands (ev): -20.4764 -20.4764 -20.4738 -20.4738 -7.2596 -7.2596 -7.2541 -7.2541 -5.3888 -5.3888 -5.3725 -5.3725 -5.2616 -5.2616 -5.2372 -5.2372 -2.1347 -2.1347 -1.8666 -1.8666 -1.3967 -1.3967 -1.1074 -1.1074 3.2838 3.2838 3.7563 3.7563 4.2184 4.2184 4.3976 4.3976 5.3479 5.3479 5.6719 5.6719 5.9341 5.9341 6.1613 6.1613 8.9649 8.9649 9.2226 9.2226 10.3135 10.3135 10.4024 10.4024 k = 0.4459 0.4208 0.1497 ( 5578 PWs) bands (ev): -20.4759 -20.4759 -20.4738 -20.4738 -7.2598 -7.2598 -7.2554 -7.2554 -5.3880 -5.3880 -5.3754 -5.3754 -5.2582 -5.2582 -5.2390 -5.2390 -2.0798 -2.0798 -1.8218 -1.8218 -1.4486 -1.4486 -1.1722 -1.1722 3.3148 3.3148 3.7019 3.7019 4.2204 4.2204 4.3715 4.3715 5.3923 5.3923 5.6642 5.6642 5.9254 5.9254 6.1205 6.1205 8.9947 8.9947 9.2086 9.2086 10.3600 10.3600 10.4305 10.4305 k = 0.4595 0.4208 0.1497 ( 5574 PWs) bands (ev): -20.4753 -20.4753 -20.4738 -20.4738 -7.2598 -7.2598 -7.2565 -7.2565 -5.3873 -5.3873 -5.3781 -5.3781 -5.2549 -5.2549 -5.2407 -5.2407 -2.0240 -2.0240 -1.7932 -1.7932 -1.4822 -1.4822 -1.2366 -1.2366 3.3509 3.3509 3.6462 3.6462 4.2282 4.2282 4.3457 4.3457 5.4364 5.4364 5.6488 5.6488 5.9264 5.9264 6.0815 6.0815 9.0249 9.0249 9.1900 9.1900 10.4018 10.4018 10.4551 10.4551 k = 0.4730 0.4208 0.1497 ( 5580 PWs) bands (ev): -20.4749 -20.4749 -20.4738 -20.4738 -7.2597 -7.2597 -7.2575 -7.2575 -5.3864 -5.3864 -5.3803 -5.3803 -5.2520 -5.2520 -5.2426 -5.2426 -1.9679 -1.9679 -1.7914 -1.7914 -1.4867 -1.4867 -1.2999 -1.2999 3.3916 3.3916 3.5908 3.5908 4.2406 4.2406 4.3209 4.3209 5.4795 5.4795 5.6254 5.6254 5.9370 5.9370 6.0448 6.0448 9.0552 9.0552 9.1675 9.1675 10.4371 10.4371 10.4732 10.4732 k = 0.4865 0.4208 0.1497 ( 5584 PWs) bands (ev): -20.4745 -20.4745 -20.4740 -20.4740 -7.2594 -7.2594 -7.2583 -7.2583 -5.3853 -5.3853 -5.3823 -5.3823 -5.2492 -5.2492 -5.2446 -5.2446 -1.9128 -1.9128 -1.8174 -1.8174 -1.4612 -1.4612 -1.3605 -1.3605 3.4365 3.4365 3.5368 3.5368 4.2568 4.2568 4.2975 4.2975 5.5210 5.5210 5.5952 5.5952 5.9557 5.9557 6.0110 6.0110 9.0852 9.0852 9.1420 9.1420 10.4635 10.4635 10.4819 10.4819 k = 0.5000 0.4208 0.1497 ( 5588 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3839 -5.3839 -5.3839 -5.3839 -5.2468 -5.2468 -5.2468 -5.2468 -1.8609 -1.8609 -1.8609 -1.8609 -1.4159 -1.4159 -1.4159 -1.4159 3.4851 3.4851 3.4851 3.4851 4.2760 4.2760 4.2760 4.2760 5.5599 5.5599 5.5599 5.5599 5.9809 5.9809 5.9809 5.9809 9.1143 9.1143 9.1143 9.1143 10.4788 10.4788 10.4788 10.4788 k = 0.5000 0.4208 0.1497 ( 5588 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3839 -5.3839 -5.3839 -5.3839 -5.2468 -5.2468 -5.2468 -5.2468 -1.8609 -1.8609 -1.8609 -1.8609 -1.4159 -1.4159 -1.4159 -1.4159 3.4851 3.4851 3.4851 3.4851 4.2760 4.2760 4.2760 4.2760 5.5599 5.5599 5.5599 5.5599 5.9809 5.9809 5.9809 5.9809 9.1143 9.1143 9.1143 9.1143 10.4788 10.4788 10.4788 10.4788 k = 0.5000 0.4252 0.1374 ( 5584 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3849 -5.3849 -5.3830 -5.3830 -5.2478 -5.2478 -5.2458 -5.2458 -1.8611 -1.8611 -1.8601 -1.8601 -1.4169 -1.4169 -1.4158 -1.4158 3.4810 3.4810 3.4881 3.4881 4.2728 4.2728 4.2814 4.2814 5.5591 5.5591 5.5622 5.5622 5.9778 5.9778 5.9837 5.9837 9.1036 9.1036 9.1179 9.1179 10.4795 10.4795 10.4803 10.4803 k = 0.5000 0.4295 0.1251 ( 5584 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3859 -5.3859 -5.3821 -5.3821 -5.2487 -5.2487 -5.2448 -5.2448 -1.8606 -1.8606 -1.8585 -1.8585 -1.4186 -1.4186 -1.4165 -1.4165 3.4760 3.4760 3.4898 3.4898 4.2721 4.2721 4.2889 4.2889 5.5597 5.5597 5.5657 5.5657 5.9745 5.9745 5.9862 5.9862 9.0861 9.0861 9.1140 9.1140 10.4818 10.4818 10.4840 10.4840 k = 0.5000 0.4339 0.1128 ( 5586 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2589 -7.2589 -5.3869 -5.3869 -5.3812 -5.3812 -5.2495 -5.2495 -5.2438 -5.2438 -1.8593 -1.8593 -1.8562 -1.8562 -1.4211 -1.4211 -1.4179 -1.4179 3.4702 3.4702 3.4902 3.4902 4.2738 4.2738 4.2981 4.2981 5.5615 5.5615 5.5703 5.5703 5.9711 5.9711 5.9885 5.9885 9.0628 9.0628 9.1031 9.1031 10.4851 10.4851 10.4895 10.4895 k = 0.5000 0.4383 0.1006 ( 5574 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2589 -7.2589 -5.3877 -5.3877 -5.3806 -5.3806 -5.2502 -5.2502 -5.2429 -5.2429 -1.8574 -1.8574 -1.8534 -1.8534 -1.4244 -1.4244 -1.4201 -1.4201 3.4640 3.4640 3.4895 3.4895 4.2778 4.2778 4.3086 4.3086 5.5644 5.5644 5.5756 5.5756 5.9682 5.9682 5.9909 5.9909 9.0346 9.0346 9.0859 9.0859 10.4888 10.4888 10.4963 10.4963 k = 0.5000 0.4427 0.0883 ( 5572 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2588 -7.2588 -5.3885 -5.3885 -5.3800 -5.3800 -5.2507 -5.2507 -5.2421 -5.2421 -1.8549 -1.8549 -1.8500 -1.8500 -1.4283 -1.4283 -1.4230 -1.4230 3.4577 3.4577 3.4877 3.4877 4.2839 4.2839 4.3199 4.3199 5.5679 5.5679 5.5810 5.5810 5.9661 5.9661 5.9938 5.9938 9.0029 9.0029 9.0631 9.0631 10.4921 10.4921 10.5035 10.5035 k = 0.5000 0.4470 0.0760 ( 5572 PWs) bands (ev): -20.4743 -20.4743 -20.4743 -20.4743 -7.2589 -7.2589 -7.2588 -7.2588 -5.3891 -5.3891 -5.3797 -5.3797 -5.2510 -5.2510 -5.2415 -5.2415 -1.8519 -1.8519 -1.8460 -1.8460 -1.4327 -1.4327 -1.4264 -1.4264 3.4516 3.4516 3.4851 3.4851 4.2917 4.2917 4.3316 4.3316 5.5717 5.5717 5.5860 5.5860 5.9656 5.9656 5.9975 5.9975 8.9687 8.9687 9.0360 9.0360 10.4942 10.4942 10.5098 10.5098 k = 0.5000 0.4514 0.0637 ( 5576 PWs) bands (ev): -20.4743 -20.4743 -20.4743 -20.4743 -7.2589 -7.2589 -7.2588 -7.2588 -5.3896 -5.3896 -5.3795 -5.3795 -5.2511 -5.2511 -5.2410 -5.2410 -1.8484 -1.8484 -1.8417 -1.8417 -1.4376 -1.4376 -1.4303 -1.4303 3.4460 3.4460 3.4819 3.4819 4.3009 4.3009 4.3432 4.3432 5.5754 5.5754 5.5898 5.5898 5.9673 5.9673 6.0026 6.0026 8.9333 8.9333 9.0057 9.0057 10.4942 10.4942 10.5133 10.5133 k = 0.5000 0.4514 0.0637 ( 5576 PWs) bands (ev): -20.4743 -20.4743 -20.4743 -20.4743 -7.2589 -7.2589 -7.2588 -7.2588 -5.3896 -5.3896 -5.3795 -5.3795 -5.2511 -5.2511 -5.2410 -5.2410 -1.8484 -1.8484 -1.8417 -1.8417 -1.4376 -1.4376 -1.4303 -1.4303 3.4460 3.4460 3.4819 3.4819 4.3009 4.3009 4.3432 4.3432 5.5754 5.5754 5.5898 5.5898 5.9673 5.9673 6.0026 6.0026 8.9333 8.9333 9.0057 9.0057 10.4942 10.4942 10.5133 10.5133 k = 0.5000 0.4489 0.0512 ( 5576 PWs) bands (ev): -20.4743 -20.4743 -20.4743 -20.4743 -7.2589 -7.2589 -7.2588 -7.2588 -5.3899 -5.3899 -5.3790 -5.3790 -5.2517 -5.2517 -5.2407 -5.2407 -1.8459 -1.8459 -1.8392 -1.8392 -1.4405 -1.4405 -1.4336 -1.4336 3.4418 3.4418 3.4787 3.4787 4.3026 4.3026 4.3466 4.3466 5.5740 5.5740 5.5899 5.5899 5.9794 5.9794 6.0163 6.0163 8.9055 8.9055 8.9827 8.9827 10.4766 10.4766 10.4896 10.4896 k = 0.5000 0.4463 0.0387 ( 5572 PWs) bands (ev): -20.4743 -20.4743 -20.4742 -20.4742 -7.2590 -7.2590 -7.2588 -7.2588 -5.3901 -5.3901 -5.3787 -5.3787 -5.2521 -5.2521 -5.2405 -5.2405 -1.8431 -1.8431 -1.8365 -1.8365 -1.4437 -1.4437 -1.4371 -1.4371 3.4387 3.4387 3.4759 3.4759 4.3041 4.3041 4.3487 4.3487 5.5718 5.5718 5.5881 5.5881 5.9941 5.9941 6.0314 6.0314 8.8795 8.8795 8.9594 8.9594 10.4546 10.4546 10.4589 10.4589 k = 0.5000 0.4438 0.0263 ( 5574 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2588 -7.2588 -5.3902 -5.3902 -5.3786 -5.3786 -5.2524 -5.2524 -5.2405 -5.2405 -1.8401 -1.8401 -1.8338 -1.8338 -1.4470 -1.4470 -1.4408 -1.4408 3.4367 3.4367 3.4733 3.4733 4.3056 4.3056 4.3497 4.3497 5.5687 5.5687 5.5849 5.5849 6.0108 6.0108 6.0474 6.0474 8.8558 8.8558 8.9365 8.9365 10.4226 10.4226 10.4281 10.4281 k = 0.5000 0.4412 0.0138 ( 5578 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2588 -7.2588 -5.3900 -5.3900 -5.3786 -5.3786 -5.2524 -5.2524 -5.2407 -5.2407 -1.8370 -1.8370 -1.8310 -1.8310 -1.4503 -1.4503 -1.4446 -1.4446 3.4358 3.4358 3.4709 3.4709 4.3071 4.3071 4.3497 4.3497 5.5650 5.5650 5.5804 5.5804 6.0287 6.0287 6.0638 6.0638 8.8349 8.8349 8.9143 8.9143 10.3829 10.3829 10.3976 10.3976 k = 0.5000 0.4387 0.0013 ( 5572 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2588 -7.2588 -5.3897 -5.3897 -5.3788 -5.3788 -5.2522 -5.2522 -5.2410 -5.2410 -1.8339 -1.8339 -1.8283 -1.8283 -1.4535 -1.4535 -1.4484 -1.4484 3.4357 3.4357 3.4686 3.4686 4.3089 4.3089 4.3489 4.3489 5.5610 5.5610 5.5751 5.5751 6.0471 6.0471 6.0798 6.0798 8.8171 8.8171 8.8931 8.8931 10.3425 10.3425 10.3642 10.3642 k = 0.5000 0.4361-0.0112 ( 5574 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2588 -7.2588 -5.3892 -5.3892 -5.3792 -5.3792 -5.2519 -5.2519 -5.2416 -5.2416 -1.8309 -1.8309 -1.8258 -1.8258 -1.4566 -1.4566 -1.4520 -1.4520 3.4365 3.4365 3.4663 3.4663 4.3109 4.3109 4.3473 4.3473 5.5568 5.5568 5.5694 5.5694 6.0653 6.0653 6.0948 6.0948 8.8028 8.8028 8.8731 8.8731 10.3037 10.3037 10.3295 10.3295 k = 0.5000 0.4336-0.0236 ( 5568 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2589 -7.2589 -5.3886 -5.3886 -5.3798 -5.3798 -5.2514 -5.2514 -5.2422 -5.2422 -1.8280 -1.8280 -1.8235 -1.8235 -1.4593 -1.4593 -1.4554 -1.4554 3.4379 3.4379 3.4640 3.4640 4.3132 4.3132 4.3451 4.3451 5.5529 5.5529 5.5637 5.5637 6.0826 6.0826 6.1083 6.1083 8.7921 8.7921 8.8546 8.8546 10.2687 10.2687 10.2955 10.2955 k = 0.5000 0.4310-0.0361 ( 5568 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2589 -7.2589 -5.3879 -5.3879 -5.3805 -5.3805 -5.2507 -5.2507 -5.2430 -5.2430 -1.8254 -1.8254 -1.8217 -1.8217 -1.4617 -1.4617 -1.4584 -1.4584 3.4399 3.4399 3.4615 3.4615 4.3158 4.3158 4.3424 4.3424 5.5495 5.5495 5.5583 5.5583 6.0982 6.0982 6.1196 6.1196 8.7849 8.7849 8.8377 8.8377 10.2391 10.2391 10.2641 10.2641 k = 0.5000 0.4284-0.0486 ( 5568 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2590 -7.2590 -7.2589 -7.2589 -5.3870 -5.3870 -5.3813 -5.3813 -5.2499 -5.2499 -5.2439 -5.2439 -1.8231 -1.8231 -1.8202 -1.8202 -1.4635 -1.4635 -1.4610 -1.4610 3.4422 3.4422 3.4590 3.4590 4.3187 4.3187 4.3393 4.3393 5.5468 5.5468 5.5535 5.5535 6.1117 6.1117 6.1282 6.1282 8.7812 8.7812 8.8225 8.8225 10.2160 10.2160 10.2368 10.2368 k = 0.5000 0.4259-0.0611 ( 5564 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3861 -5.3861 -5.3822 -5.3822 -5.2490 -5.2490 -5.2449 -5.2449 -1.8213 -1.8213 -1.8193 -1.8193 -1.4647 -1.4647 -1.4631 -1.4631 3.4449 3.4449 3.4563 3.4563 4.3219 4.3219 4.3359 4.3359 5.5451 5.5451 5.5496 5.5496 6.1226 6.1226 6.1338 6.1338 8.7810 8.7810 8.8094 8.8094 10.2003 10.2003 10.2152 10.2152 k = 0.5000 0.4233-0.0736 ( 5566 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3851 -5.3851 -5.3832 -5.3832 -5.2480 -5.2480 -5.2459 -5.2459 -1.8199 -1.8199 -1.8189 -1.8189 -1.4653 -1.4653 -1.4645 -1.4645 3.4477 3.4477 3.4534 3.4534 4.3253 4.3253 4.3324 4.3324 5.5444 5.5444 5.5467 5.5467 6.1304 6.1304 6.1361 6.1361 8.7839 8.7839 8.7984 8.7984 10.1923 10.1923 10.2001 10.2001 k = 0.5000 0.4208-0.0860 ( 5564 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3841 -5.3841 -5.3841 -5.3841 -5.2470 -5.2470 -5.2470 -5.2470 -1.8191 -1.8191 -1.8191 -1.8191 -1.4653 -1.4653 -1.4653 -1.4653 3.4506 3.4506 3.4506 3.4506 4.3288 4.3288 4.3288 4.3288 5.5450 5.5450 5.5450 5.5450 6.1349 6.1349 6.1349 6.1349 8.7898 8.7898 8.7898 8.7898 10.1923 10.1923 10.1923 10.1923 k = 0.5000 0.4208-0.0860 ( 5564 PWs) bands (ev): -20.4742 -20.4742 -20.4742 -20.4742 -7.2589 -7.2589 -7.2589 -7.2589 -5.3841 -5.3841 -5.3841 -5.3841 -5.2470 -5.2470 -5.2470 -5.2470 -1.8191 -1.8191 -1.8191 -1.8191 -1.4653 -1.4653 -1.4653 -1.4653 3.4506 3.4506 3.4506 3.4506 4.3288 4.3288 4.3288 4.3288 5.5450 5.5450 5.5450 5.5450 6.1349 6.1349 6.1349 6.1349 8.7898 8.7898 8.7898 8.7898 10.1923 10.1923 10.1923 10.1923 k = 0.4865 0.4208-0.0860 ( 5566 PWs) bands (ev): -20.4745 -20.4745 -20.4740 -20.4740 -7.2592 -7.2592 -7.2584 -7.2584 -5.3870 -5.3870 -5.3811 -5.3811 -5.2493 -5.2493 -5.2448 -5.2448 -1.8838 -1.8838 -1.7527 -1.7527 -1.5358 -1.5358 -1.3946 -1.3946 3.4051 3.4051 3.5003 3.5003 4.2875 4.2875 4.3728 4.3728 5.4956 5.4956 5.5938 5.5938 6.1028 6.1028 6.1654 6.1654 8.7872 8.7872 8.7957 8.7957 10.1434 10.1434 10.2348 10.2348 k = 0.4730 0.4208-0.0860 ( 5564 PWs) bands (ev): -20.4749 -20.4749 -20.4738 -20.4738 -7.2594 -7.2594 -7.2578 -7.2578 -5.3895 -5.3895 -5.3777 -5.3777 -5.2519 -5.2519 -5.2428 -5.2428 -1.9467 -1.9467 -1.6847 -1.6847 -1.6057 -1.6057 -1.3240 -1.3240 3.3641 3.3641 3.5540 3.5540 4.2488 4.2488 4.4193 4.4193 5.4456 5.4456 5.6418 5.6418 6.0696 6.0696 6.1937 6.1937 8.7880 8.7880 8.8050 8.8050 10.0906 10.0906 10.2677 10.2677 k = 0.4595 0.4208-0.0860 ( 5560 PWs) bands (ev): -20.4754 -20.4754 -20.4737 -20.4737 -7.2594 -7.2594 -7.2570 -7.2570 -5.3920 -5.3920 -5.3739 -5.3739 -5.2548 -5.2548 -5.2410 -5.2410 -2.0076 -2.0076 -1.6763 -1.6763 -1.6139 -1.6139 -1.2537 -1.2537 3.3279 3.3279 3.6114 3.6114 4.2128 4.2128 4.4683 4.4683 5.3950 5.3950 5.6889 5.6889 6.0357 6.0357 6.2196 6.2196 8.7920 8.7920 8.8174 8.8174 10.0355 10.0355 10.2874 10.2874 k = 0.4459 0.4208-0.0860 ( 5558 PWs) bands (ev): -20.4759 -20.4759 -20.4737 -20.4737 -7.2592 -7.2592 -7.2560 -7.2560 -5.3943 -5.3943 -5.3698 -5.3698 -5.2579 -5.2579 -5.2392 -5.2392 -2.0666 -2.0666 -1.7447 -1.7447 -1.5429 -1.5429 -1.1842 -1.1842 3.2967 3.2967 3.6723 3.6723 4.1796 4.1796 4.5196 4.5196 5.3441 5.3441 5.7347 5.7347 6.0021 6.0021 6.2426 6.2426 8.7991 8.7991 8.8326 8.8326 9.9797 9.9797 10.2917 10.2917 k = 0.4324 0.4208-0.0860 ( 5566 PWs) bands (ev): -20.4765 -20.4765 -20.4738 -20.4738 -7.2588 -7.2588 -7.2549 -7.2549 -5.3966 -5.3966 -5.3653 -5.3653 -5.2613 -5.2613 -5.2373 -5.2373 -2.1237 -2.1237 -1.8124 -1.8124 -1.4701 -1.4701 -1.1155 -1.1155 3.2710 3.2710 3.7363 3.7363 4.1492 4.1492 4.5730 4.5730 5.2928 5.2928 5.7782 5.7782 5.9700 5.9700 6.2627 6.2627 8.8089 8.8089 8.8501 8.8501 9.9247 9.9247 10.2818 10.2818 k = 0.4189 0.4208-0.0860 ( 5562 PWs) bands (ev): -20.4772 -20.4772 -20.4739 -20.4739 -7.2583 -7.2583 -7.2537 -7.2537 -5.3990 -5.3990 -5.3604 -5.3604 -5.2649 -5.2649 -5.2353 -5.2353 -2.1788 -2.1788 -1.8790 -1.8790 -1.3961 -1.3961 -1.0482 -1.0482 3.2509 3.2509 3.8033 3.8033 4.1216 4.1216 4.6284 4.6284 5.2413 5.2413 5.8159 5.8159 5.9432 5.9432 6.2797 6.2797 8.8209 8.8209 8.8693 8.8693 9.8717 9.8717 10.2619 10.2619 k = 0.4054 0.4208-0.0860 ( 5568 PWs) bands (ev): -20.4779 -20.4779 -20.4741 -20.4741 -7.2577 -7.2577 -7.2524 -7.2524 -5.4015 -5.4015 -5.3552 -5.3552 -5.2687 -5.2687 -5.2332 -5.2332 -2.2319 -2.2319 -1.9442 -1.9442 -1.3209 -1.3209 -0.9823 -0.9823 3.2369 3.2369 3.8729 3.8729 4.0970 4.0970 4.6855 4.6855 5.1900 5.1900 5.8366 5.8366 5.9331 5.9331 6.2936 6.2936 8.8346 8.8346 8.8895 8.8895 9.8220 9.8220 10.2360 10.2360 k = 0.3919 0.4208-0.0860 ( 5564 PWs) bands (ev): -20.4787 -20.4787 -20.4744 -20.4744 -7.2569 -7.2569 -7.2510 -7.2510 -5.4042 -5.4042 -5.3497 -5.3497 -5.2726 -5.2726 -5.2307 -5.2307 -2.2830 -2.2830 -2.0079 -2.0079 -1.2448 -1.2448 -0.9184 -0.9184 3.2290 3.2290 3.9449 3.9449 4.0754 4.0754 4.7435 4.7435 5.1394 5.1394 5.8277 5.8277 5.9524 5.9524 6.3046 6.3046 8.8494 8.8494 8.9095 8.9095 9.7769 9.7769 10.2067 10.2067 k = 0.3784 0.4208-0.0860 ( 5554 PWs) bands (ev): -20.4795 -20.4795 -20.4747 -20.4747 -7.2560 -7.2560 -7.2495 -7.2495 -5.4073 -5.4073 -5.3440 -5.3440 -5.2765 -5.2765 -5.2278 -5.2278 -2.3323 -2.3323 -2.0700 -2.0700 -1.1679 -1.1679 -0.8565 -0.8565 3.2278 3.2278 4.0178 4.0178 4.0579 4.0579 4.8011 4.8011 5.0909 5.0909 5.8028 5.8028 5.9873 5.9873 6.3131 6.3131 8.8644 8.8644 8.9285 8.9285 9.7376 9.7376 10.1756 10.1756 k = 0.3649 0.4208-0.0860 ( 5562 PWs) bands (ev): -20.4804 -20.4804 -20.4751 -20.4751 -7.2550 -7.2550 -7.2480 -7.2480 -5.4107 -5.4107 -5.3382 -5.3382 -5.2803 -5.2803 -5.2245 -5.2245 -2.3796 -2.3796 -2.1302 -2.1302 -1.0905 -1.0905 -0.7971 -0.7971 3.2332 3.2332 4.0385 4.0385 4.0974 4.0974 4.8545 4.8545 5.0485 5.0485 5.7738 5.7738 6.0257 6.0257 6.3198 6.3198 8.8785 8.8785 8.9454 8.9454 9.7051 9.7051 10.1433 10.1433 k = 0.3514 0.4208-0.0860 ( 5566 PWs) bands (ev): -20.4813 -20.4813 -20.4755 -20.4755 -7.2538 -7.2538 -7.2465 -7.2465 -5.4145 -5.4145 -5.3327 -5.3327 -5.2835 -5.2835 -5.2206 -5.2206 -2.4251 -2.4251 -2.1885 -2.1885 -1.0128 -1.0128 -0.7403 -0.7403 3.2457 3.2457 4.0264 4.0264 4.1744 4.1744 4.8895 4.8895 5.0263 5.0263 5.7442 5.7442 6.0634 6.0634 6.3259 6.3259 8.8903 8.8903 8.9597 8.9597 9.6800 9.6800 10.1100 10.1100 k = 0.3378 0.4208-0.0860 ( 5570 PWs) bands (ev): -20.4823 -20.4823 -20.4760 -20.4760 -7.2527 -7.2527 -7.2449 -7.2449 -5.4187 -5.4187 -5.3280 -5.3280 -5.2857 -5.2857 -5.2162 -5.2162 -2.4688 -2.4688 -2.2448 -2.2448 -0.9351 -0.9351 -0.6863 -0.6863 3.2652 3.2652 4.0166 4.0166 4.2532 4.2532 4.8818 4.8818 5.0485 5.0485 5.7150 5.7150 6.0977 6.0977 6.3333 6.3333 8.8981 8.8981 8.9714 8.9714 9.6623 9.6623 10.0753 10.0753 k = 0.3243 0.4208-0.0860 ( 5566 PWs) bands (ev): -20.4833 -20.4833 -20.4765 -20.4765 -7.2514 -7.2514 -7.2433 -7.2433 -5.4234 -5.4234 -5.3250 -5.3250 -5.2858 -5.2858 -5.2112 -5.2112 -2.5109 -2.5109 -2.2988 -2.2988 -0.8578 -0.8578 -0.6352 -0.6352 3.2919 3.2919 4.0098 4.0098 4.3326 4.3326 4.8461 4.8461 5.1006 5.1006 5.6867 5.6867 6.1260 6.1260 6.3447 6.3447 8.9003 8.9003 8.9808 8.9808 9.6510 9.6510 10.0384 10.0384 k = 0.3108 0.4208-0.0860 ( 5568 PWs) bands (ev): -20.4843 -20.4843 -20.4771 -20.4771 -7.2501 -7.2501 -7.2418 -7.2418 -5.4285 -5.4285 -5.3244 -5.3244 -5.2833 -5.2833 -5.2057 -5.2057 -2.5513 -2.5513 -2.3505 -2.3505 -0.7813 -0.7813 -0.5870 -0.5870 3.3258 3.3258 4.0060 4.0060 4.4120 4.4120 4.8035 4.8035 5.1620 5.1620 5.6598 5.6598 6.1458 6.1458 6.3634 6.3634 8.8960 8.8960 8.9881 8.9881 9.6442 9.6442 9.9979 9.9979 k = 0.2973 0.4208-0.0860 ( 5560 PWs) bands (ev): -20.4854 -20.4854 -20.4777 -20.4777 -7.2488 -7.2488 -7.2403 -7.2403 -5.4339 -5.4339 -5.3262 -5.3262 -5.2783 -5.2783 -5.1995 -5.1995 -2.5902 -2.5902 -2.3997 -2.3997 -0.7063 -0.7063 -0.5413 -0.5413 3.3667 3.3667 4.0054 4.0054 4.4897 4.4897 4.7613 4.7613 5.2262 5.2262 5.6344 5.6344 6.1556 6.1556 6.3911 6.3911 8.8853 8.8853 8.9926 8.9926 9.6395 9.6395 9.9514 9.9514 k = 0.2838 0.4208-0.0860 ( 5560 PWs) bands (ev): -20.4865 -20.4865 -20.4783 -20.4783 -7.2474 -7.2474 -7.2389 -7.2389 -5.4397 -5.4397 -5.3296 -5.3296 -5.2713 -5.2713 -5.1929 -5.1929 -2.6277 -2.6277 -2.4464 -2.4464 -0.6338 -0.6338 -0.4975 -0.4975 3.4144 3.4144 4.0080 4.0080 4.5614 4.5614 4.7255 4.7255 5.2909 5.2909 5.6111 5.6111 6.1564 6.1564 6.4278 6.4278 8.8692 8.8692 8.9932 8.9932 9.6339 9.6339 9.8958 9.8958 k = 0.2703 0.4208-0.0860 ( 5556 PWs) bands (ev): -20.4875 -20.4875 -20.4790 -20.4790 -7.2461 -7.2461 -7.2375 -7.2375 -5.4458 -5.4458 -5.3339 -5.3339 -5.2631 -5.2631 -5.1858 -5.1858 -2.6638 -2.6638 -2.4904 -2.4904 -0.5657 -0.5657 -0.4539 -0.4539 3.4682 3.4682 4.0141 4.0141 4.6070 4.6070 4.7164 4.7164 5.3541 5.3541 5.5908 5.5908 6.1508 6.1508 6.4719 6.4719 8.8486 8.8486 8.9884 8.9884 9.6247 9.6247 9.8277 9.8277 k = 0.2568 0.4208-0.0860 ( 5550 PWs) bands (ev): -20.4886 -20.4886 -20.4797 -20.4797 -7.2447 -7.2447 -7.2362 -7.2362 -5.4522 -5.4522 -5.3388 -5.3388 -5.2541 -5.2541 -5.1783 -5.1783 -2.6987 -2.6987 -2.5316 -2.5316 -0.5056 -0.5056 -0.4073 -0.4073 3.5273 3.5273 4.0239 4.0239 4.5994 4.5994 4.7615 4.7615 5.4126 5.4126 5.5763 5.5763 6.1411 6.1411 6.5222 6.5222 8.8242 8.8242 8.9764 8.9764 9.6083 9.6083 9.7467 9.7467 k = 0.2432 0.4208-0.0860 ( 5554 PWs) bands (ev): -20.4897 -20.4897 -20.4804 -20.4804 -7.2434 -7.2434 -7.2351 -7.2351 -5.4587 -5.4587 -5.3440 -5.3440 -5.2447 -5.2447 -5.1704 -5.1704 -2.7323 -2.7323 -2.5700 -2.5700 -0.4570 -0.4570 -0.3543 -0.3543 3.5904 3.5904 4.0382 4.0382 4.5714 4.5714 4.8278 4.8278 5.4573 5.4573 5.5760 5.5760 6.1296 6.1296 6.5776 6.5776 8.7964 8.7964 8.9559 8.9559 9.5760 9.5760 9.6613 9.6613 k = 0.2297 0.4208-0.0860 ( 5558 PWs) bands (ev): -20.4907 -20.4907 -20.4811 -20.4811 -7.2421 -7.2421 -7.2340 -7.2340 -5.4652 -5.4652 -5.3493 -5.3493 -5.2349 -5.2349 -5.1623 -5.1623 -2.7648 -2.7648 -2.6056 -2.6056 -0.4199 -0.4199 -0.2951 -0.2951 3.6552 3.6552 4.0580 4.0580 4.5425 4.5425 4.8957 4.8957 5.4739 5.4739 5.6040 5.6040 6.1180 6.1180 6.6379 6.6379 8.7650 8.7650 8.9255 8.9255 9.5002 9.5002 9.6007 9.6007 k = 0.2162 0.4208-0.0860 ( 5556 PWs) bands (ev): -20.4918 -20.4918 -20.4817 -20.4817 -7.2409 -7.2409 -7.2330 -7.2330 -5.4718 -5.4718 -5.3546 -5.3546 -5.2249 -5.2249 -5.1541 -5.1541 -2.7961 -2.7961 -2.6383 -2.6383 -0.3912 -0.3912 -0.2329 -0.2329 3.7185 3.7185 4.0855 4.0855 4.5176 4.5176 4.9605 4.9605 5.4690 5.4690 5.6530 5.6530 6.1084 6.1084 6.7028 6.7028 8.7296 8.7296 8.8841 8.8841 9.3867 9.3867 9.5621 9.5621 k = 0.2027 0.4208-0.0860 ( 5552 PWs) bands (ev): -20.4928 -20.4928 -20.4824 -20.4824 -7.2397 -7.2397 -7.2321 -7.2321 -5.4784 -5.4784 -5.3599 -5.3599 -5.2149 -5.2149 -5.1458 -5.1458 -2.8261 -2.8261 -2.6683 -2.6683 -0.3681 -0.3681 -0.1706 -0.1706 3.7756 3.7756 4.1238 4.1238 4.4987 4.4987 5.0201 5.0201 5.4567 5.4567 5.7077 5.7077 6.1032 6.1032 6.7722 6.7722 8.6895 8.6895 8.8312 8.8312 9.2588 9.2588 9.5253 9.5253 k = 0.1892 0.4208-0.0860 ( 5542 PWs) bands (ev): -20.4938 -20.4938 -20.4831 -20.4831 -7.2386 -7.2386 -7.2313 -7.2313 -5.4848 -5.4848 -5.3650 -5.3650 -5.2050 -5.2050 -5.1375 -5.1375 -2.8548 -2.8548 -2.6957 -2.6957 -0.3491 -0.3491 -0.1097 -0.1097 3.8217 3.8217 4.1758 4.1758 4.4878 4.4878 5.0731 5.0731 5.4427 5.4427 5.7605 5.7605 6.1057 6.1057 6.8458 6.8458 8.6433 8.6433 8.7669 8.7669 9.1242 9.1242 9.4859 9.4859 k = 0.1757 0.4208-0.0860 ( 5542 PWs) bands (ev): -20.4947 -20.4947 -20.4837 -20.4837 -7.2375 -7.2375 -7.2306 -7.2306 -5.4910 -5.4910 -5.3700 -5.3700 -5.1952 -5.1952 -5.1293 -5.1293 -2.8821 -2.8821 -2.7205 -2.7205 -0.3335 -0.3335 -0.0512 -0.0512 3.8540 3.8540 4.2415 4.2415 4.4870 4.4870 5.1187 5.1187 5.4286 5.4286 5.8063 5.8063 6.1203 6.1203 6.9236 6.9236 8.5884 8.5884 8.6927 8.6927 8.9871 8.9871 9.4432 9.4432 k = 0.1622 0.4208-0.0860 ( 5534 PWs) bands (ev): -20.4956 -20.4956 -20.4844 -20.4844 -7.2365 -7.2365 -7.2300 -7.2300 -5.4970 -5.4970 -5.3748 -5.3748 -5.1856 -5.1856 -5.1213 -5.1213 -2.9078 -2.9078 -2.7429 -2.7429 -0.3205 -0.3205 0.0045 0.0045 3.8733 3.8733 4.3155 4.3155 4.5004 4.5004 5.1565 5.1565 5.4150 5.4150 5.8411 5.8411 6.1509 6.1509 7.0049 7.0049 8.5197 8.5197 8.6127 8.6127 8.8520 8.8520 9.3971 9.3971 k = 0.1486 0.4208-0.0860 ( 5536 PWs) bands (ev): -20.4964 -20.4964 -20.4850 -20.4850 -7.2356 -7.2356 -7.2295 -7.2295 -5.5028 -5.5028 -5.3793 -5.3793 -5.1764 -5.1764 -5.1135 -5.1135 -2.9319 -2.9319 -2.7630 -2.7630 -0.3099 -0.3099 0.0567 0.0567 3.8820 3.8820 4.3853 4.3853 4.5370 4.5370 5.1865 5.1865 5.4023 5.4023 5.8638 5.8638 6.1987 6.1987 7.0894 7.0894 8.4290 8.4290 8.5337 8.5337 8.7241 8.7241 9.3475 9.3475 k = 0.1351 0.4208-0.0860 ( 5536 PWs) bands (ev): -20.4972 -20.4972 -20.4855 -20.4855 -7.2347 -7.2347 -7.2291 -7.2291 -5.5082 -5.5082 -5.3836 -5.3836 -5.1676 -5.1676 -5.1062 -5.1062 -2.9542 -2.9542 -2.7810 -2.7810 -0.3012 -0.3012 0.1053 0.1053 3.8832 3.8832 4.4369 4.4369 4.6065 4.6065 5.2093 5.2093 5.3904 5.3904 5.8770 5.8770 6.2607 6.2607 7.1763 7.1763 8.3144 8.3144 8.4572 8.4572 8.6077 8.6077 9.2944 9.2944 k = 0.1216 0.4208-0.0860 ( 5538 PWs) bands (ev): -20.4980 -20.4980 -20.4860 -20.4860 -7.2339 -7.2339 -7.2288 -7.2288 -5.5132 -5.5132 -5.3875 -5.3875 -5.1593 -5.1593 -5.0993 -5.0993 -2.9746 -2.9746 -2.7970 -2.7970 -0.2942 -0.2942 0.1500 0.1500 3.8793 3.8793 4.4736 4.4736 4.7014 4.7014 5.2262 5.2262 5.3792 5.3792 5.8843 5.8843 6.3328 6.3328 7.2645 7.2645 8.1829 8.1829 8.3795 8.3795 8.5049 8.5049 9.2379 9.2379 k = 0.1081 0.4208-0.0860 ( 5542 PWs) bands (ev): -20.4987 -20.4987 -20.4865 -20.4865 -7.2332 -7.2332 -7.2286 -7.2286 -5.5178 -5.5178 -5.3911 -5.3911 -5.1516 -5.1516 -5.0929 -5.0929 -2.9931 -2.9931 -2.8110 -2.8110 -0.2886 -0.2886 0.1905 0.1905 3.8722 3.8722 4.5052 4.5052 4.8077 4.8077 5.2388 5.2388 5.3688 5.3688 5.8884 5.8884 6.4110 6.4110 7.3528 7.3528 8.0422 8.0422 8.2986 8.2986 8.4148 8.4148 9.1782 9.1782 k = 0.0946 0.4208-0.0860 ( 5542 PWs) bands (ev): -20.4993 -20.4993 -20.4870 -20.4870 -7.2325 -7.2325 -7.2284 -7.2284 -5.5219 -5.5219 -5.3944 -5.3944 -5.1446 -5.1446 -5.0871 -5.0871 -3.0095 -3.0095 -2.8232 -2.8232 -0.2842 -0.2842 0.2266 0.2266 3.8635 3.8635 4.5354 4.5354 4.9169 4.9169 5.2492 5.2492 5.3592 5.3592 5.8912 5.8912 6.4924 6.4924 7.4385 7.4385 7.9000 7.9000 8.2166 8.2166 8.3346 8.3346 9.1159 9.1159 k = 0.0811 0.4208-0.0860 ( 5544 PWs) bands (ev): -20.4998 -20.4998 -20.4874 -20.4874 -7.2319 -7.2319 -7.2283 -7.2283 -5.5255 -5.5255 -5.3972 -5.3972 -5.1383 -5.1383 -5.0820 -5.0820 -3.0239 -3.0239 -2.8336 -2.8336 -0.2807 -0.2807 0.2581 0.2581 3.8542 3.8542 4.5646 4.5646 5.0218 5.0218 5.2606 5.2606 5.3509 5.3509 5.8934 5.8934 6.5746 6.5746 7.5143 7.5143 7.7666 7.7666 8.1374 8.1374 8.2619 8.2619 9.0519 9.0519 k = 0.0676 0.4208-0.0860 ( 5546 PWs) bands (ev): -20.5002 -20.5002 -20.4877 -20.4877 -7.2314 -7.2314 -7.2282 -7.2282 -5.5287 -5.5287 -5.3997 -5.3997 -5.1329 -5.1329 -5.0775 -5.0775 -3.0361 -3.0361 -2.8423 -2.8423 -0.2781 -0.2781 0.2851 0.2851 3.8451 3.8451 4.5922 4.5922 5.1119 5.1119 5.2775 5.2775 5.3474 5.3474 5.8955 5.8955 6.6553 6.6553 7.5368 7.5368 7.6873 7.6873 8.0645 8.0645 8.1960 8.1960 8.9878 8.9878 k = 0.0541 0.4208-0.0860 ( 5546 PWs) bands (ev): -20.5006 -20.5006 -20.4880 -20.4880 -7.2309 -7.2309 -7.2282 -7.2282 -5.5313 -5.5313 -5.4017 -5.4017 -5.1284 -5.1284 -5.0738 -5.0738 -3.0461 -3.0461 -2.8493 -2.8493 -0.2761 -0.2761 0.3072 0.3072 3.8370 3.8370 4.6170 4.6170 5.1718 5.1718 5.2966 5.2966 5.3641 5.3641 5.8977 5.8977 6.7321 6.7321 7.4492 7.4492 7.7192 7.7192 8.0021 8.0021 8.1375 8.1375 8.9259 8.9259 k = 0.0405 0.4208-0.0860 ( 5542 PWs) bands (ev): -20.5009 -20.5009 -20.4882 -20.4882 -7.2306 -7.2306 -7.2282 -7.2282 -5.5333 -5.5333 -5.4033 -5.4033 -5.1248 -5.1248 -5.0709 -5.0709 -3.0540 -3.0540 -2.8548 -2.8548 -0.2747 -0.2747 0.3245 0.3245 3.8303 3.8303 4.6379 4.6379 5.2005 5.2005 5.3001 5.3001 5.4157 5.4157 5.8999 5.8999 6.8023 6.8023 7.3420 7.3420 7.7691 7.7691 7.9566 7.9566 8.0882 8.0882 8.8695 8.8695 k = 0.0270 0.4208-0.0860 ( 5544 PWs) bands (ev): -20.5011 -20.5011 -20.4883 -20.4883 -7.2303 -7.2303 -7.2283 -7.2283 -5.5347 -5.5347 -5.4044 -5.4044 -5.1223 -5.1223 -5.0688 -5.0688 -3.0596 -3.0596 -2.8587 -2.8587 -0.2738 -0.2738 0.3369 0.3369 3.8253 3.8253 4.6538 4.6538 5.2134 5.2134 5.2961 5.2961 5.4732 5.4732 5.9020 5.9020 6.8628 6.8628 7.2491 7.2491 7.7973 7.7973 7.9384 7.9384 8.0500 8.0500 8.8230 8.8230 k = 0.0135 0.4208-0.0860 ( 5540 PWs) bands (ev): -20.5013 -20.5013 -20.4884 -20.4884 -7.2301 -7.2301 -7.2283 -7.2283 -5.5356 -5.5356 -5.4051 -5.4051 -5.1207 -5.1207 -5.0675 -5.0675 -3.0630 -3.0630 -2.8610 -2.8610 -0.2733 -0.2733 0.3444 0.3444 3.8222 3.8222 4.6637 4.6637 5.2196 5.2196 5.2920 5.2920 5.5143 5.5143 5.9036 5.9036 6.9080 6.9080 7.1824 7.1824 7.7999 7.7999 7.9454 7.9454 8.0245 8.0245 8.7918 8.7918 k = 0.0000 0.4208-0.0860 ( 5544 PWs) bands (ev): -20.5013 -20.5013 -20.4885 -20.4885 -7.2300 -7.2300 -7.2283 -7.2283 -5.5359 -5.5359 -5.4053 -5.4053 -5.1202 -5.1202 -5.0671 -5.0671 -3.0641 -3.0641 -2.8618 -2.8618 -0.2731 -0.2731 0.3469 0.3469 3.8212 3.8212 4.6671 4.6671 5.2215 5.2215 5.2904 5.2904 5.5290 5.5290 5.9042 5.9042 6.9263 6.9263 7.1566 7.1566 7.7974 7.7974 7.9524 7.9524 8.0148 8.0148 8.7807 8.7807 k = 0.0000 0.4208-0.0860 ( 5544 PWs) bands (ev): -20.5013 -20.5013 -20.4885 -20.4885 -7.2300 -7.2300 -7.2283 -7.2283 -5.5359 -5.5359 -5.4053 -5.4053 -5.1202 -5.1202 -5.0671 -5.0671 -3.0641 -3.0641 -2.8618 -2.8618 -0.2731 -0.2731 0.3469 0.3469 3.8212 3.8212 4.6671 4.6671 5.2215 5.2215 5.2904 5.2904 5.5290 5.5290 5.9042 5.9042 6.9263 6.9263 7.1566 7.1566 7.7974 7.7974 7.9524 7.9524 8.0148 8.0148 8.7807 8.7807 k = 0.0000 0.4233-0.0736 ( 5541 PWs) bands (ev): -20.5013 -20.5013 -20.4885 -20.4885 -7.2303 -7.2303 -7.2281 -7.2281 -5.5358 -5.5358 -5.4055 -5.4055 -5.1203 -5.1203 -5.0670 -5.0670 -3.0639 -3.0639 -2.8620 -2.8620 -0.2727 -0.2727 0.3468 0.3468 3.8201 3.8201 4.6676 4.6676 5.2067 5.2067 5.2989 5.2989 5.5299 5.5299 5.9119 5.9119 6.9239 6.9239 7.1607 7.1607 7.7981 7.7981 7.9423 7.9423 8.0235 8.0235 8.7806 8.7806 k = 0.0000 0.4259-0.0611 ( 5539 PWs) bands (ev): -20.5013 -20.5013 -20.4885 -20.4885 -7.2307 -7.2307 -7.2276 -7.2276 -5.5353 -5.5353 -5.4060 -5.4060 -5.1205 -5.1205 -5.0669 -5.0669 -3.0633 -3.0633 -2.8628 -2.8628 -0.2715 -0.2715 0.3466 0.3466 3.8170 3.8170 4.6689 4.6689 5.1722 5.1722 5.3160 5.3160 5.5321 5.5321 5.9339 5.9339 6.9171 6.9171 7.1726 7.1726 7.7993 7.7993 7.9213 7.9213 8.0408 8.0408 8.7802 8.7802 k = 0.0000 0.4284-0.0486 ( 5541 PWs) bands (ev): -20.5013 -20.5013 -20.4885 -20.4885 -7.2312 -7.2312 -7.2270 -7.2270 -5.5346 -5.5346 -5.4067 -5.4067 -5.1209 -5.1209 -5.0666 -5.0666 -3.0622 -3.0622 -2.8642 -2.8642 -0.2695 -0.2695 0.3463 0.3463 3.8120 3.8120 4.6709 4.6709 5.1274 5.1274 5.3354 5.3354 5.5347 5.5347 5.9678 5.9678 6.9066 6.9066 7.1915 7.1915 7.7975 7.7975 7.9006 7.9006 8.0596 8.0596 8.7795 8.7795 k = 0.0000 0.4310-0.0361 ( 5540 PWs) bands (ev): -20.5013 -20.5013 -20.4885 -20.4885 -7.2318 -7.2318 -7.2263 -7.2263 -5.5335 -5.5335 -5.4078 -5.4078 -5.1214 -5.1214 -5.0663 -5.0663 -3.0607 -3.0607 -2.8660 -2.8660 -0.2667 -0.2667 0.3459 0.3459 3.8058 3.8058 4.6731 4.6731 5.0768 5.0768 5.3559 5.3559 5.5378 5.5378 6.0101 6.0101 6.8934 6.8934 7.2163 7.2163 7.7861 7.7861 7.8891 7.8891 8.0781 8.0781 8.7783 8.7783 k = 0.0000 0.4336-0.0236 ( 5544 PWs) bands (ev): -20.5013 -20.5013 -20.4885 -20.4885 -7.2323 -7.2323 -7.2256 -7.2256 -5.5322 -5.5322 -5.4092 -5.4092 -5.1220 -5.1220 -5.0660 -5.0660 -3.0588 -3.0588 -2.8683 -2.8683 -0.2632 -0.2632 0.3452 0.3452 3.7989 3.7989 4.6748 4.6748 5.0234 5.0234 5.3758 5.3758 5.5430 5.5430 6.0577 6.0577 6.8781 6.8781 7.2461 7.2461 7.7615 7.7615 7.8911 7.8911 8.0960 8.0960 8.7764 8.7764 k = 0.0000 0.4361-0.0112 ( 5538 PWs) bands (ev): -20.5012 -20.5012 -20.4885 -20.4885 -7.2328 -7.2328 -7.2249 -7.2249 -5.5305 -5.5305 -5.4110 -5.4110 -5.1226 -5.1226 -5.0657 -5.0657 -3.0566 -3.0566 -2.8712 -2.8712 -0.2591 -0.2591 0.3443 0.3443 3.7919 3.7919 4.6750 4.6750 4.9702 4.9702 5.3926 5.3926 5.5531 5.5531 6.1079 6.1079 6.8612 6.8612 7.2799 7.2799 7.7280 7.7280 7.9028 7.9028 8.1138 8.1138 8.7735 8.7735 k = 0.0000 0.4387 0.0013 ( 5526 PWs) bands (ev): -20.5012 -20.5012 -20.4886 -20.4886 -7.2333 -7.2333 -7.2242 -7.2242 -5.5286 -5.5286 -5.4130 -5.4130 -5.1232 -5.1232 -5.0653 -5.0653 -3.0540 -3.0540 -2.8745 -2.8745 -0.2544 -0.2544 0.3432 0.3432 3.7854 3.7854 4.6719 4.6719 4.9201 4.9201 5.4031 5.4031 5.5710 5.5710 6.1584 6.1584 6.8428 6.8428 7.3164 7.3164 7.6910 7.6910 7.9195 7.9195 8.1320 8.1320 8.7695 8.7695 k = 0.0000 0.4412 0.0138 ( 5526 PWs) bands (ev): -20.5012 -20.5012 -20.4886 -20.4886 -7.2338 -7.2338 -7.2235 -7.2235 -5.5265 -5.5265 -5.4153 -5.4153 -5.1238 -5.1238 -5.0651 -5.0651 -3.0510 -3.0510 -2.8782 -2.8782 -0.2491 -0.2491 0.3418 0.3418 3.7802 3.7802 4.6627 4.6627 4.8767 4.8767 5.4061 5.4061 5.5979 5.5979 6.2077 6.2077 6.8230 6.8230 7.3536 7.3536 7.6545 7.6545 7.9382 7.9382 8.1515 8.1515 8.7641 8.7641 k = 0.0000 0.4438 0.0263 ( 5526 PWs) bands (ev): -20.5012 -20.5012 -20.4886 -20.4886 -7.2342 -7.2342 -7.2229 -7.2229 -5.5240 -5.5240 -5.4178 -5.4178 -5.1243 -5.1243 -5.0648 -5.0648 -3.0478 -3.0478 -2.8824 -2.8824 -0.2435 -0.2435 0.3401 0.3401 3.7768 3.7768 4.6443 4.6443 4.8441 4.8441 5.4028 5.4028 5.6323 5.6323 6.2546 6.2546 6.8019 6.8019 7.3874 7.3874 7.6235 7.6235 7.9571 7.9571 8.1728 8.1728 8.7572 8.7572 k = 0.0000 0.4463 0.0387 ( 5521 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2346 -7.2346 -7.2222 -7.2222 -5.5214 -5.5214 -5.4206 -5.4206 -5.1247 -5.1247 -5.0646 -5.0646 -3.0442 -3.0442 -2.8869 -2.8869 -0.2376 -0.2376 0.3380 0.3380 3.7757 3.7757 4.6153 4.6153 4.8240 4.8240 5.3953 5.3953 5.6718 5.6718 6.2983 6.2983 6.7793 6.7793 7.4100 7.4100 7.6062 7.6062 7.9744 7.9744 8.1964 8.1964 8.7489 8.7489 k = 0.0000 0.4489 0.0512 ( 5519 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2350 -7.2350 -7.2215 -7.2215 -5.5185 -5.5185 -5.4236 -5.4236 -5.1250 -5.1250 -5.0644 -5.0644 -3.0405 -3.0405 -2.8918 -2.8918 -0.2314 -0.2314 0.3356 0.3356 3.7773 3.7773 4.5781 4.5781 4.8144 4.8144 5.3853 5.3853 5.7141 5.7141 6.3380 6.3380 6.7555 6.7555 7.4122 7.4122 7.6115 7.6115 7.9890 7.9890 8.2223 8.2223 8.7394 8.7394 k = 0.0000 0.4514 0.0637 ( 5521 PWs) bands (ev): -20.5011 -20.5011 -20.4887 -20.4887 -7.2353 -7.2353 -7.2209 -7.2209 -5.5154 -5.5154 -5.4268 -5.4268 -5.1253 -5.1253 -5.0642 -5.0642 -3.0365 -3.0365 -2.8971 -2.8971 -0.2252 -0.2252 0.3328 0.3328 3.7821 3.7821 4.5367 4.5367 4.8117 4.8117 5.3740 5.3740 5.7572 5.7572 6.3732 6.3732 6.7308 6.7308 7.3954 7.3954 7.6378 7.6378 8.0000 8.0000 8.2499 8.2499 8.7291 8.7291 k = 0.5000 0.3902 0.2358 ( 5576 PWs) bands (ev): -20.4743 -20.4743 -20.4743 -20.4743 -7.2589 -7.2589 -7.2588 -7.2588 -5.3896 -5.3896 -5.3795 -5.3795 -5.2511 -5.2511 -5.2410 -5.2410 -1.8484 -1.8484 -1.8417 -1.8417 -1.4376 -1.4376 -1.4303 -1.4303 3.4460 3.4460 3.4819 3.4819 4.3009 4.3009 4.3432 4.3432 5.5754 5.5754 5.5898 5.5898 5.9673 5.9673 6.0026 6.0026 8.9333 8.9333 9.0057 9.0057 10.4942 10.4942 10.5133 10.5133 k = 0.5000 0.3767 0.2358 ( 5576 PWs) bands (ev): -20.4743 -20.4743 -20.4743 -20.4743 -7.2588 -7.2588 -7.2587 -7.2587 -5.3894 -5.3894 -5.3805 -5.3805 -5.2498 -5.2498 -5.2412 -5.2412 -1.8450 -1.8450 -1.8370 -1.8370 -1.4428 -1.4428 -1.4329 -1.4329 3.4469 3.4469 3.4838 3.4838 4.3164 4.3164 4.3574 4.3574 5.5835 5.5835 5.5938 5.5938 5.9518 5.9518 5.9891 5.9891 8.9183 8.9183 8.9877 8.9877 10.5117 10.5117 10.5482 10.5482 k = 0.5000 0.3633 0.2358 ( 5566 PWs) bands (ev): -20.4744 -20.4744 -20.4744 -20.4744 -7.2587 -7.2587 -7.2586 -7.2586 -5.3893 -5.3893 -5.3816 -5.3816 -5.2484 -5.2484 -5.2412 -5.2412 -1.8404 -1.8404 -1.8312 -1.8312 -1.4490 -1.4490 -1.4367 -1.4367 3.4517 3.4517 3.4897 3.4897 4.3321 4.3321 4.3714 4.3714 5.5913 5.5913 5.5974 5.5974 5.9349 5.9349 5.9747 5.9747 8.9040 8.9040 8.9705 8.9705 10.5014 10.5014 10.5556 10.5556 k = 0.5000 0.3498 0.2358 ( 5566 PWs) bands (ev): -20.4744 -20.4744 -20.4744 -20.4744 -7.2586 -7.2586 -7.2585 -7.2585 -5.3893 -5.3893 -5.3828 -5.3828 -5.2468 -5.2468 -5.2411 -5.2411 -1.8347 -1.8347 -1.8243 -1.8243 -1.4562 -1.4562 -1.4415 -1.4415 3.4605 3.4605 3.4994 3.4994 4.3480 4.3480 4.3851 4.3851 5.5986 5.5986 5.6005 5.6005 5.9171 5.9171 5.9597 5.9597 8.8912 8.8912 8.9551 8.9551 10.4570 10.4570 10.5162 10.5162 k = 0.5000 0.3364 0.2358 ( 5564 PWs) bands (ev): -20.4745 -20.4745 -20.4745 -20.4745 -7.2584 -7.2584 -7.2583 -7.2583 -5.3894 -5.3894 -5.3841 -5.3841 -5.2451 -5.2451 -5.2409 -5.2409 -1.8279 -1.8279 -1.8164 -1.8164 -1.4642 -1.4642 -1.4474 -1.4474 3.4731 3.4731 3.5128 3.5128 4.3639 4.3639 4.3983 4.3983 5.6028 5.6028 5.6051 5.6051 5.8985 5.8985 5.9444 5.9444 8.8806 8.8806 8.9420 8.9420 10.3846 10.3846 10.4420 10.4420 k = 0.5000 0.3229 0.2358 ( 5564 PWs) bands (ev): -20.4746 -20.4746 -20.4746 -20.4746 -7.2582 -7.2582 -7.2581 -7.2581 -5.3896 -5.3896 -5.3855 -5.3855 -5.2431 -5.2431 -5.2404 -5.2404 -1.8201 -1.8201 -1.8076 -1.8076 -1.4731 -1.4731 -1.4543 -1.4543 3.4893 3.4893 3.5298 3.5298 4.3800 4.3800 4.4111 4.4111 5.6043 5.6043 5.6107 5.6107 5.8795 5.8795 5.9293 5.9293 8.8725 8.8725 8.9318 8.9318 10.2941 10.2941 10.3506 10.3506 k = 0.5000 0.3095 0.2358 ( 5564 PWs) bands (ev): -20.4747 -20.4747 -20.4747 -20.4747 -7.2579 -7.2579 -7.2579 -7.2579 -5.3900 -5.3900 -5.3871 -5.3871 -5.2410 -5.2410 -5.2398 -5.2398 -1.8115 -1.8115 -1.7980 -1.7980 -1.4827 -1.4827 -1.4621 -1.4621 3.5089 3.5089 3.5502 3.5502 4.3961 4.3961 4.4233 4.4233 5.6046 5.6046 5.6152 5.6152 5.8604 5.8604 5.9147 5.9147 8.8668 8.8668 8.9243 8.9243 10.1931 10.1931 10.2505 10.2505 k = 0.5000 0.2960 0.2358 ( 5564 PWs) bands (ev): -20.4749 -20.4749 -20.4749 -20.4749 -7.2577 -7.2577 -7.2577 -7.2577 -5.3905 -5.3905 -5.3888 -5.3888 -5.2388 -5.2388 -5.2386 -5.2386 -1.8021 -1.8021 -1.7878 -1.7878 -1.4928 -1.4928 -1.4706 -1.4706 3.5318 3.5318 3.5738 3.5738 4.4122 4.4122 4.4349 4.4349 5.6038 5.6038 5.6183 5.6183 5.8417 5.8417 5.9012 5.9012 8.8632 8.8632 8.9192 8.9192 10.0867 10.0867 10.1462 10.1462 k = 0.5000 0.2825 0.2358 ( 5564 PWs) bands (ev): -20.4750 -20.4750 -20.4750 -20.4750 -7.2574 -7.2574 -7.2574 -7.2574 -5.3913 -5.3913 -5.3907 -5.3907 -5.2375 -5.2375 -5.2360 -5.2360 -1.7921 -1.7921 -1.7771 -1.7771 -1.5032 -1.5032 -1.4798 -1.4798 3.5576 3.5576 3.6001 3.6001 4.4284 4.4284 4.4460 4.4460 5.6017 5.6017 5.6197 5.6197 5.8238 5.8238 5.8893 5.8893 8.8605 8.8605 8.9157 8.9157 9.9790 9.9790 10.0411 10.0411 k = 0.5000 0.2691 0.2358 ( 5562 PWs) bands (ev): -20.4751 -20.4751 -20.4751 -20.4751 -7.2572 -7.2572 -7.2572 -7.2572 -5.3927 -5.3927 -5.3922 -5.3922 -5.2360 -5.2360 -5.2331 -5.2331 -1.7816 -1.7816 -1.7661 -1.7661 -1.5139 -1.5139 -1.4894 -1.4894 3.5860 3.5860 3.6289 3.6289 4.4447 4.4447 4.4566 4.4566 5.5981 5.5981 5.6193 5.6193 5.8072 5.8072 5.8796 5.8796 8.8573 8.8573 8.9125 8.9125 9.8735 9.8735 9.9379 9.9379 k = 0.5000 0.2556 0.2358 ( 5560 PWs) bands (ev): -20.4753 -20.4753 -20.4753 -20.4753 -7.2570 -7.2570 -7.2569 -7.2569 -5.3948 -5.3948 -5.3934 -5.3934 -5.2340 -5.2340 -5.2301 -5.2301 -1.7708 -1.7708 -1.7551 -1.7551 -1.5245 -1.5245 -1.4994 -1.4994 3.6166 3.6166 3.6597 3.6597 4.4613 4.4613 4.4669 4.4669 5.5930 5.5930 5.6168 5.6168 5.7922 5.7922 5.8725 5.8725 8.8510 8.8510 8.9075 8.9075 9.7741 9.7741 9.8397 9.8397 k = 0.5000 0.2422 0.2358 ( 5556 PWs) bands (ev): -20.4754 -20.4754 -20.4754 -20.4754 -7.2567 -7.2567 -7.2566 -7.2566 -5.3971 -5.3971 -5.3949 -5.3949 -5.2318 -5.2318 -5.2268 -5.2268 -1.7599 -1.7599 -1.7442 -1.7442 -1.5348 -1.5348 -1.5094 -1.5094 3.6490 3.6490 3.6920 3.6920 4.4770 4.4770 4.4784 4.4784 5.5864 5.5864 5.6121 5.6121 5.7792 5.7792 5.8682 5.8682 8.8384 8.8384 8.8978 8.8978 9.6849 9.6849 9.7500 9.7500 k = 0.5000 0.2287 0.2358 ( 5558 PWs) bands (ev): -20.4756 -20.4756 -20.4756 -20.4756 -7.2564 -7.2564 -7.2564 -7.2564 -5.3995 -5.3995 -5.3965 -5.3965 -5.2292 -5.2292 -5.2234 -5.2234 -1.7492 -1.7492 -1.7339 -1.7339 -1.5446 -1.5446 -1.5194 -1.5194 3.6827 3.6827 3.7253 3.7253 4.4873 4.4873 4.4961 4.4961 5.5784 5.5784 5.6053 5.6053 5.7683 5.7683 5.8669 5.8669 8.8154 8.8154 8.8799 8.8799 9.6106 9.6106 9.6727 9.6727 k = 0.5000 0.2153 0.2358 ( 5564 PWs) bands (ev): -20.4757 -20.4757 -20.4757 -20.4757 -7.2562 -7.2562 -7.2561 -7.2561 -5.4019 -5.4019 -5.3984 -5.3984 -5.2263 -5.2263 -5.2198 -5.2198 -1.7389 -1.7389 -1.7244 -1.7244 -1.5534 -1.5534 -1.5289 -1.5289 3.7172 3.7172 3.7590 3.7590 4.4981 4.4981 4.5147 4.5147 5.5692 5.5692 5.5967 5.5967 5.7597 5.7597 5.8683 5.8683 8.7784 8.7784 8.8499 8.8499 9.5553 9.5553 9.6117 9.6117 k = 0.5000 0.2018 0.2358 ( 5570 PWs) bands (ev): -20.4759 -20.4759 -20.4759 -20.4759 -7.2560 -7.2560 -7.2559 -7.2559 -5.4044 -5.4044 -5.4004 -5.4004 -5.2231 -5.2231 -5.2161 -5.2161 -1.7293 -1.7293 -1.7162 -1.7162 -1.5608 -1.5608 -1.5378 -1.5378 3.7517 3.7517 3.7923 3.7923 4.5098 4.5098 4.5346 4.5346 5.5590 5.5590 5.5867 5.5867 5.7532 5.7532 5.8721 5.8721 8.7257 8.7257 8.8055 8.8055 9.5208 9.5208 9.5695 9.5695 k = 0.5000 0.1884 0.2358 ( 5572 PWs) bands (ev): -20.4761 -20.4761 -20.4761 -20.4761 -7.2557 -7.2557 -7.2556 -7.2556 -5.4069 -5.4069 -5.4026 -5.4026 -5.2197 -5.2197 -5.2123 -5.2123 -1.7209 -1.7209 -1.7097 -1.7097 -1.5664 -1.5664 -1.5456 -1.5456 3.7858 3.7858 3.8246 3.8246 4.5228 4.5228 4.5560 4.5560 5.5482 5.5482 5.5758 5.5758 5.7487 5.7487 5.8777 5.8777 8.6583 8.6583 8.7464 8.7464 9.5063 9.5063 9.5457 9.5457 k = 0.5000 0.1749 0.2358 ( 5578 PWs) bands (ev): -20.4762 -20.4762 -20.4762 -20.4762 -7.2555 -7.2555 -7.2554 -7.2554 -5.4094 -5.4094 -5.4049 -5.4049 -5.2162 -5.2162 -5.2086 -5.2086 -1.7139 -1.7139 -1.7054 -1.7054 -1.5699 -1.5699 -1.5519 -1.5519 3.8186 3.8186 3.8552 3.8552 4.5377 4.5377 4.5793 4.5793 5.5373 5.5373 5.5643 5.5643 5.7461 5.7461 5.8846 5.8846 8.5798 8.5798 8.6750 8.6750 9.5081 9.5081 9.5371 9.5371 k = 0.5000 0.1615 0.2358 ( 5580 PWs) bands (ev): -20.4764 -20.4764 -20.4764 -20.4764 -7.2553 -7.2553 -7.2552 -7.2552 -5.4118 -5.4118 -5.4072 -5.4072 -5.2125 -5.2125 -5.2048 -5.2048 -1.7088 -1.7088 -1.7034 -1.7034 -1.5710 -1.5710 -1.5565 -1.5565 3.8495 3.8495 3.8835 3.8835 4.5548 4.5548 4.6046 4.6046 5.5264 5.5264 5.5526 5.5526 5.7450 5.7450 5.8921 5.8921 8.4943 8.4943 8.5950 8.5950 9.5219 9.5219 9.5379 9.5379 k = 0.5000 0.1480 0.2358 ( 5572 PWs) bands (ev): -20.4765 -20.4765 -20.4765 -20.4765 -7.2551 -7.2551 -7.2550 -7.2550 -5.4142 -5.4142 -5.4096 -5.4096 -5.2088 -5.2088 -5.2012 -5.2012 -1.7057 -1.7057 -1.7036 -1.7036 -1.5698 -1.5698 -1.5590 -1.5590 3.8780 3.8780 3.9090 3.9090 4.5744 4.5744 4.6319 4.6319 5.5159 5.5159 5.5410 5.5410 5.7453 5.7453 5.8996 5.8996 8.4057 8.4057 8.5101 8.5101 9.5403 9.5403 9.5426 9.5426 k = 0.5000 0.1345 0.2358 ( 5568 PWs) bands (ev): -20.4767 -20.4767 -20.4767 -20.4767 -7.2550 -7.2550 -7.2549 -7.2549 -5.4164 -5.4164 -5.4120 -5.4120 -5.2051 -5.2051 -5.1977 -5.1977 -1.7056 -1.7056 -1.7048 -1.7048 -1.5668 -1.5668 -1.5595 -1.5595 3.9036 3.9036 3.9314 3.9314 4.5968 4.5968 4.6610 4.6610 5.5060 5.5060 5.5299 5.5299 5.7470 5.7470 5.9065 5.9065 8.3173 8.3173 8.4233 8.4233 9.5340 9.5340 9.5639 9.5639 k = 0.5000 0.1211 0.2358 ( 5564 PWs) bands (ev): -20.4768 -20.4768 -20.4768 -20.4768 -7.2548 -7.2548 -7.2547 -7.2547 -5.4185 -5.4185 -5.4142 -5.4142 -5.2014 -5.2014 -5.1944 -5.1944 -1.7090 -1.7090 -1.7057 -1.7057 -1.5625 -1.5625 -1.5582 -1.5582 3.9261 3.9261 3.9505 3.9505 4.6219 4.6219 4.6913 4.6913 5.4969 5.4969 5.5193 5.5193 5.7499 5.7499 5.9121 5.9121 8.2317 8.2317 8.3374 8.3374 9.5123 9.5123 9.5738 9.5738 k = 0.5000 0.1076 0.2358 ( 5562 PWs) bands (ev): -20.4769 -20.4769 -20.4769 -20.4769 -7.2547 -7.2547 -7.2546 -7.2546 -5.4204 -5.4204 -5.4164 -5.4164 -5.1979 -5.1979 -5.1914 -5.1914 -1.7130 -1.7130 -1.7081 -1.7081 -1.5575 -1.5575 -1.5556 -1.5556 3.9452 3.9452 3.9664 3.9664 4.6493 4.6493 4.7220 4.7220 5.4887 5.4887 5.5095 5.5095 5.7541 5.7541 5.9158 5.9158 8.1510 8.1510 8.2542 8.2542 9.4798 9.4798 9.5568 9.5568 k = 0.5000 0.0942 0.2358 ( 5568 PWs) bands (ev): -20.4770 -20.4770 -20.4770 -20.4770 -7.2546 -7.2546 -7.2545 -7.2545 -5.4221 -5.4221 -5.4185 -5.4185 -5.1946 -5.1946 -5.1886 -5.1886 -1.7173 -1.7173 -1.7115 -1.7115 -1.5522 -1.5522 -1.5519 -1.5519 3.9612 3.9612 3.9792 3.9792 4.6784 4.6784 4.7521 4.7521 5.4816 5.4816 5.5005 5.5005 5.7597 5.7597 5.9170 5.9170 8.0770 8.0770 8.1754 8.1754 9.4444 9.4444 9.5195 9.5195 k = 0.5000 0.0807 0.2358 ( 5576 PWs) bands (ev): -20.4771 -20.4771 -20.4771 -20.4771 -7.2545 -7.2545 -7.2544 -7.2544 -5.4236 -5.4236 -5.4204 -5.4204 -5.1915 -5.1915 -5.1862 -5.1862 -1.7215 -1.7215 -1.7155 -1.7155 -1.5479 -1.5479 -1.5472 -1.5472 3.9742 3.9742 3.9892 3.9892 4.7084 4.7084 4.7804 4.7804 5.4755 5.4755 5.4924 5.4924 5.7669 5.7669 5.9155 5.9155 8.0114 8.0114 8.1025 8.1025 9.4110 9.4110 9.4778 9.4778 k = 0.5000 0.0673 0.2358 ( 5574 PWs) bands (ev): -20.4772 -20.4772 -20.4772 -20.4772 -7.2544 -7.2544 -7.2543 -7.2543 -5.4248 -5.4248 -5.4221 -5.4221 -5.1887 -5.1887 -5.1842 -5.1842 -1.7253 -1.7253 -1.7195 -1.7195 -1.5438 -1.5438 -1.5425 -1.5425 3.9845 3.9845 3.9968 3.9968 4.7382 4.7382 4.8054 4.8054 5.4707 5.4707 5.4853 5.4853 5.7758 5.7758 5.9108 5.9108 7.9554 7.9554 8.0366 8.0366 9.3818 9.3818 9.4384 9.4384 k = 0.5000 0.0538 0.2358 ( 5568 PWs) bands (ev): -20.4773 -20.4773 -20.4773 -20.4773 -7.2543 -7.2543 -7.2543 -7.2543 -5.4258 -5.4258 -5.4235 -5.4235 -5.1863 -5.1863 -5.1826 -5.1826 -1.7285 -1.7285 -1.7234 -1.7234 -1.5399 -1.5399 -1.5385 -1.5385 3.9926 3.9926 4.0022 4.0022 4.7668 4.7668 4.8259 4.8259 5.4672 5.4672 5.4792 5.4792 5.7867 5.7867 5.9030 5.9030 7.9102 7.9102 7.9790 7.9790 9.3582 9.3582 9.4038 9.4038 k = 0.5000 0.0404 0.2358 ( 5562 PWs) bands (ev): -20.4773 -20.4773 -20.4773 -20.4773 -7.2542 -7.2542 -7.2542 -7.2542 -5.4265 -5.4265 -5.4248 -5.4248 -5.1842 -5.1842 -5.1814 -5.1814 -1.7309 -1.7309 -1.7268 -1.7268 -1.5367 -1.5367 -1.5354 -1.5354 3.9987 3.9987 4.0058 4.0058 4.7929 4.7929 4.8407 4.8407 5.4648 5.4648 5.4741 5.4741 5.7995 5.7995 5.8921 5.8921 7.8766 7.8766 7.9306 7.9306 9.3406 9.3406 9.3751 9.3751 k = 0.5000 0.0269 0.2358 ( 5554 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2542 -7.2542 -7.2542 -7.2542 -5.4269 -5.4269 -5.4258 -5.4258 -5.1826 -5.1826 -5.1807 -5.1807 -1.7324 -1.7324 -1.7296 -1.7296 -1.5341 -1.5341 -1.5332 -1.5332 4.0032 4.0032 4.0079 4.0079 4.8154 4.8154 4.8490 4.8490 5.4636 5.4636 5.4699 5.4699 5.8141 5.8141 5.8786 5.8786 7.8551 7.8551 7.8924 7.8924 9.3296 9.3296 9.3526 9.3526 k = 0.5000 0.0135 0.2358 ( 5558 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2542 -7.2542 -7.2542 -7.2542 -5.4271 -5.4271 -5.4265 -5.4265 -5.1814 -5.1814 -5.1805 -5.1805 -1.7331 -1.7331 -1.7317 -1.7317 -1.5324 -1.5324 -1.5319 -1.5319 4.0063 4.0063 4.0086 4.0086 4.8331 4.8331 4.8505 4.8505 5.4636 5.4636 5.4668 5.4668 5.8300 5.8300 5.8632 5.8632 7.8461 7.8461 7.8652 7.8652 9.3252 9.3252 9.3367 9.3367 k = 0.5000-0.0000 0.2358 ( 5564 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2542 -7.2542 -7.2542 -7.2542 -5.4269 -5.4269 -5.4269 -5.4269 -5.1807 -5.1807 -5.1807 -5.1807 -1.7328 -1.7328 -1.7328 -1.7328 -1.5317 -1.5317 -1.5317 -1.5317 4.0080 4.0080 4.0080 4.0080 4.8450 4.8450 4.8450 4.8450 5.4647 5.4647 5.4647 5.4647 5.8467 5.8467 5.8467 5.8467 7.8496 7.8496 7.8496 7.8496 9.3276 9.3276 9.3276 9.3276 k = 0.5000-0.0000 0.2358 ( 5564 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2542 -7.2542 -7.2542 -7.2542 -5.4269 -5.4269 -5.4269 -5.4269 -5.1807 -5.1807 -5.1807 -5.1807 -1.7328 -1.7328 -1.7328 -1.7328 -1.5317 -1.5317 -1.5317 -1.5317 4.0080 4.0080 4.0080 4.0080 4.8450 4.8450 4.8450 4.8450 5.4647 5.4647 5.4647 5.4647 5.8467 5.8467 5.8467 5.8467 7.8496 7.8496 7.8496 7.8496 9.3276 9.3276 9.3276 9.3276 k = 0.5000-0.0000 0.2227 ( 5566 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2542 -7.2542 -7.2542 -7.2542 -5.4269 -5.4269 -5.4268 -5.4268 -5.1809 -5.1809 -5.1808 -5.1808 -1.7329 -1.7329 -1.7329 -1.7329 -1.5314 -1.5314 -1.5314 -1.5314 4.0033 4.0033 4.0041 4.0041 4.8469 4.8469 4.8525 4.8525 5.4623 5.4623 5.4692 5.4692 5.8481 5.8481 5.8481 5.8481 7.8490 7.8490 7.8507 7.8507 9.3129 9.3129 9.3163 9.3163 k = 0.5000-0.0000 0.2096 ( 5568 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2541 -7.2541 -7.2541 -7.2541 -5.4267 -5.4267 -5.4265 -5.4265 -5.1814 -5.1814 -5.1811 -5.1811 -1.7331 -1.7331 -1.7331 -1.7331 -1.5308 -1.5308 -1.5307 -1.5307 3.9903 3.9903 3.9918 3.9918 4.8575 4.8575 4.8686 4.8686 5.4620 5.4620 5.4757 5.4757 5.8525 5.8525 5.8525 5.8525 7.8491 7.8491 7.8524 7.8524 9.2733 9.2733 9.2802 9.2802 k = 0.5000-0.0000 0.1965 ( 5566 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2541 -7.2541 -7.2541 -7.2541 -5.4264 -5.4264 -5.4260 -5.4260 -5.1821 -5.1821 -5.1816 -5.1816 -1.7334 -1.7334 -1.7334 -1.7334 -1.5297 -1.5297 -1.5296 -1.5296 3.9703 3.9703 3.9723 3.9723 4.8755 4.8755 4.8918 4.8918 5.4638 5.4638 5.4843 5.4843 5.8601 5.8601 5.8603 5.8603 7.8501 7.8501 7.8546 7.8546 9.2117 9.2117 9.2221 9.2221 k = 0.5000-0.0000 0.1834 ( 5570 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2540 -7.2540 -7.2540 -7.2540 -5.4259 -5.4259 -5.4254 -5.4254 -5.1830 -5.1830 -5.1824 -5.1824 -1.7338 -1.7338 -1.7337 -1.7337 -1.5282 -1.5282 -1.5282 -1.5282 3.9450 3.9450 3.9473 3.9473 4.8990 4.8990 4.9202 4.9202 5.4675 5.4675 5.4946 5.4946 5.8713 5.8713 5.8719 5.8719 7.8520 7.8520 7.8572 7.8572 9.1318 9.1318 9.1460 9.1460 k = 0.5000-0.0000 0.1703 ( 5574 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2540 -7.2540 -7.2540 -7.2540 -5.4253 -5.4253 -5.4247 -5.4247 -5.1841 -5.1841 -5.1834 -5.1834 -1.7343 -1.7343 -1.7342 -1.7342 -1.5264 -1.5264 -1.5263 -1.5263 3.9159 3.9159 3.9183 3.9183 4.9258 4.9258 4.9514 4.9514 5.4731 5.4731 5.5062 5.5062 5.8870 5.8870 5.8880 5.8880 7.8550 7.8550 7.8602 7.8602 9.0381 9.0381 9.0560 9.0560 k = 0.5000-0.0000 0.1572 ( 5576 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2539 -7.2539 -7.2539 -7.2539 -5.4246 -5.4246 -5.4239 -5.4239 -5.1854 -5.1854 -5.1846 -5.1846 -1.7348 -1.7348 -1.7347 -1.7347 -1.5243 -1.5243 -1.5242 -1.5242 3.8846 3.8846 3.8870 3.8870 4.9540 4.9540 4.9832 4.9832 5.4802 5.4802 5.5185 5.5185 5.9078 5.9078 5.9092 5.9092 7.8592 7.8592 7.8635 7.8635 8.9345 8.9345 8.9563 8.9563 k = 0.5000-0.0000 0.1441 ( 5582 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2538 -7.2538 -7.2538 -7.2538 -5.4238 -5.4238 -5.4230 -5.4230 -5.1868 -5.1868 -5.1860 -5.1860 -1.7354 -1.7354 -1.7353 -1.7353 -1.5220 -1.5220 -1.5219 -1.5219 3.8524 3.8524 3.8547 3.8547 4.9819 4.9819 5.0140 5.0140 5.4884 5.4884 5.5308 5.5308 5.9345 5.9345 5.9363 5.9363 7.8645 7.8645 7.8670 7.8670 8.8245 8.8245 8.8503 8.8503 k = 0.5000-0.0000 0.1310 ( 5580 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2537 -7.2537 -7.2537 -7.2537 -5.4229 -5.4229 -5.4220 -5.4220 -5.1883 -5.1883 -5.1874 -5.1874 -1.7360 -1.7360 -1.7359 -1.7359 -1.5196 -1.5196 -1.5195 -1.5195 3.8205 3.8205 3.8226 3.8226 5.0083 5.0083 5.0422 5.0422 5.4972 5.4972 5.5422 5.5422 5.9677 5.9677 5.9696 5.9696 7.8705 7.8705 7.8710 7.8710 8.7110 8.7110 8.7410 8.7410 k = 0.5000-0.0000 0.1179 ( 5572 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2536 -7.2536 -7.2536 -7.2536 -5.4219 -5.4219 -5.4210 -5.4210 -5.1899 -5.1899 -5.1889 -5.1889 -1.7366 -1.7366 -1.7366 -1.7366 -1.5171 -1.5171 -1.5169 -1.5169 3.7897 3.7897 3.7915 3.7915 5.0325 5.0325 5.0670 5.0670 5.5062 5.5062 5.5519 5.5519 6.0074 6.0074 6.0092 6.0092 7.8736 7.8736 7.8785 7.8785 8.5965 8.5965 8.6312 8.6312 k = 0.5000-0.0000 0.1048 ( 5570 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2535 -7.2535 -7.2535 -7.2535 -5.4209 -5.4209 -5.4200 -5.4200 -5.1914 -5.1914 -5.1905 -5.1905 -1.7372 -1.7372 -1.7372 -1.7372 -1.5146 -1.5146 -1.5144 -1.5144 3.7606 3.7606 3.7622 3.7622 5.0540 5.0540 5.0880 5.0880 5.5149 5.5149 5.5596 5.5596 6.0531 6.0531 6.0546 6.0546 7.8760 7.8760 7.8867 7.8867 8.4834 8.4834 8.5234 8.5234 k = 0.5000-0.0000 0.0917 ( 5556 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2534 -7.2534 -7.2534 -7.2534 -5.4199 -5.4199 -5.4191 -5.4191 -5.1929 -5.1929 -5.1920 -5.1920 -1.7378 -1.7378 -1.7377 -1.7377 -1.5121 -1.5121 -1.5120 -1.5120 3.7339 3.7339 3.7353 3.7353 5.0729 5.0729 5.1051 5.1051 5.5229 5.5229 5.5651 5.5651 6.1035 6.1035 6.1046 6.1046 7.8769 7.8769 7.8953 7.8953 8.3740 8.3740 8.4202 8.4202 k = 0.5000-0.0000 0.0786 ( 5560 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2534 -7.2534 -7.2533 -7.2533 -5.4190 -5.4190 -5.4182 -5.4182 -5.1943 -5.1943 -5.1935 -5.1935 -1.7383 -1.7383 -1.7382 -1.7382 -1.5099 -1.5099 -1.5098 -1.5098 3.7100 3.7100 3.7112 3.7112 5.0891 5.0891 5.1186 5.1186 5.5301 5.5301 5.5684 5.5684 6.1566 6.1566 6.1574 6.1574 7.8756 7.8756 7.9034 7.9034 8.2710 8.2710 8.3244 8.3244 k = 0.5000-0.0000 0.0655 ( 5560 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2533 -7.2533 -7.2533 -7.2533 -5.4181 -5.4181 -5.4174 -5.4174 -5.1956 -5.1956 -5.1948 -5.1948 -1.7388 -1.7388 -1.7387 -1.7387 -1.5078 -1.5078 -1.5078 -1.5078 3.6893 3.6893 3.6902 3.6902 5.1029 5.1029 5.1288 5.1288 5.5365 5.5365 5.5699 5.5699 6.2102 6.2102 6.2108 6.2108 7.8710 7.8710 7.9097 7.9097 8.1779 8.1779 8.2390 8.2390 k = 0.5000-0.0000 0.0524 ( 5564 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2532 -7.2532 -7.2532 -7.2532 -5.4173 -5.4173 -5.4167 -5.4167 -5.1966 -5.1966 -5.1960 -5.1960 -1.7392 -1.7392 -1.7391 -1.7391 -1.5061 -1.5061 -1.5060 -1.5060 3.6720 3.6720 3.6727 3.6727 5.1144 5.1144 5.1360 5.1360 5.5422 5.5422 5.5698 5.5698 6.2613 6.2613 6.2617 6.2617 7.8624 7.8624 7.9110 7.9110 8.1000 8.1000 8.1672 8.1672 k = 0.5000-0.0000 0.0393 ( 5572 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2531 -7.2531 -7.2531 -7.2531 -5.4166 -5.4166 -5.4162 -5.4162 -5.1975 -5.1975 -5.1970 -5.1970 -1.7395 -1.7395 -1.7394 -1.7394 -1.5047 -1.5047 -1.5046 -1.5046 3.6583 3.6583 3.6589 3.6589 5.1239 5.1239 5.1405 5.1405 5.5473 5.5473 5.5685 5.5685 6.3065 6.3065 6.3069 6.3069 7.8503 7.8503 7.9014 7.9014 8.0459 8.0459 8.1114 8.1114 k = 0.5000-0.0000 0.0262 ( 5570 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2531 -7.2531 -7.2531 -7.2531 -5.4161 -5.4161 -5.4158 -5.4158 -5.1981 -5.1981 -5.1978 -5.1978 -1.7397 -1.7397 -1.7397 -1.7397 -1.5036 -1.5036 -1.5036 -1.5036 3.6485 3.6485 3.6489 3.6489 5.1314 5.1314 5.1427 5.1427 5.5519 5.5519 5.5663 5.5663 6.3424 6.3424 6.3427 6.3427 7.8380 7.8380 7.8780 7.8780 8.0215 8.0215 8.0713 8.0713 k = 0.5000-0.0000 0.0131 ( 5574 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2531 -7.2531 -7.2531 -7.2531 -5.4158 -5.4158 -5.4156 -5.4156 -5.1984 -5.1984 -5.1983 -5.1983 -1.7398 -1.7398 -1.7398 -1.7398 -1.5030 -1.5030 -1.5030 -1.5030 3.6426 3.6426 3.6428 3.6428 5.1371 5.1371 5.1428 5.1428 5.5561 5.5561 5.5634 5.5634 6.3657 6.3657 6.3658 6.3658 7.8309 7.8309 7.8517 7.8517 8.0187 8.0187 8.0444 8.0444 k = 0.5000-0.0000-0.0000 ( 5564 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2531 -7.2531 -7.2531 -7.2531 -5.4156 -5.4156 -5.4156 -5.4156 -5.1985 -5.1985 -5.1985 -5.1985 -1.7399 -1.7399 -1.7399 -1.7399 -1.5028 -1.5028 -1.5028 -1.5028 3.6407 3.6407 3.6407 3.6407 5.1409 5.1409 5.1409 5.1409 5.5599 5.5599 5.5599 5.5599 6.3738 6.3738 6.3738 6.3738 7.8348 7.8348 7.8348 7.8348 8.0274 8.0274 8.0274 8.0274 k = 0.0000 0.0000 0.2358 ( 5550 PWs) bands (ev): -20.5044 -20.5044 -20.4922 -20.4922 -7.2054 -7.2054 -7.1705 -7.1705 -5.3733 -5.3733 -5.3385 -5.3385 -5.0886 -5.0886 -5.0773 -5.0773 -3.3555 -3.3555 -3.2072 -3.2072 -0.0649 -0.0649 0.7162 0.7162 4.0593 4.0593 4.5637 4.5637 5.0329 5.0329 5.0657 5.0657 5.1871 5.1871 6.3916 6.3916 6.3936 6.3936 7.8539 7.8539 8.0264 8.0264 8.1049 8.1049 8.6032 8.6032 9.2203 9.2203 k = 0.0135-0.0000 0.2358 ( 5544 PWs) bands (ev): -20.5043 -20.5043 -20.4921 -20.4921 -7.2054 -7.2054 -7.1706 -7.1706 -5.3732 -5.3732 -5.3384 -5.3384 -5.0891 -5.0891 -5.0779 -5.0779 -3.3540 -3.3540 -3.2060 -3.2060 -0.0653 -0.0653 0.7141 0.7141 4.0587 4.0587 4.5640 4.5640 5.0301 5.0301 5.0531 5.0531 5.1872 5.1872 6.3863 6.3863 6.4119 6.4119 7.8485 7.8485 8.0255 8.0255 8.1108 8.1108 8.6033 8.6033 9.2205 9.2205 k = 0.0270-0.0000 0.2358 ( 5550 PWs) bands (ev): -20.5042 -20.5042 -20.4920 -20.4920 -7.2057 -7.2057 -7.1710 -7.1710 -5.3730 -5.3730 -5.3379 -5.3379 -5.0906 -5.0906 -5.0797 -5.0797 -3.3495 -3.3495 -3.2024 -3.2024 -0.0664 -0.0664 0.7076 0.7076 4.0570 4.0570 4.5647 4.5647 5.0051 5.0051 5.0349 5.0349 5.1864 5.1864 6.3874 6.3874 6.4474 6.4474 7.8329 7.8329 8.0231 8.0231 8.1279 8.1279 8.6038 8.6038 9.2215 9.2215 k = 0.0405-0.0000 0.2358 ( 5558 PWs) bands (ev): -20.5040 -20.5040 -20.4919 -20.4919 -7.2061 -7.2061 -7.1715 -7.1715 -5.3726 -5.3726 -5.3370 -5.3370 -5.0932 -5.0932 -5.0826 -5.0826 -3.3419 -3.3419 -3.1964 -3.1964 -0.0684 -0.0684 0.6968 0.6968 4.0541 4.0541 4.5652 4.5652 4.9482 4.9482 5.0277 5.0277 5.1837 5.1837 6.3922 6.3922 6.4977 6.4977 7.8075 7.8075 8.0190 8.0190 8.1551 8.1551 8.6050 8.6050 9.2246 9.2246 k = 0.0541-0.0000 0.2358 ( 5554 PWs) bands (ev): -20.5037 -20.5037 -20.4916 -20.4916 -7.2066 -7.2066 -7.1722 -7.1722 -5.3721 -5.3721 -5.3359 -5.3359 -5.0968 -5.0968 -5.0866 -5.0866 -3.3315 -3.3315 -3.1881 -3.1881 -0.0712 -0.0712 0.6816 0.6816 4.0500 4.0500 4.5638 4.5638 4.8780 4.8780 5.0202 5.0202 5.1795 5.1795 6.3982 6.3982 6.5581 6.5581 7.7731 7.7731 8.0131 8.0131 8.1913 8.1913 8.6075 8.6075 9.2315 9.2315 k = 0.0676-0.0000 0.2358 ( 5550 PWs) bands (ev): -20.5033 -20.5033 -20.4914 -20.4914 -7.2073 -7.2073 -7.1732 -7.1732 -5.3715 -5.3715 -5.3344 -5.3344 -5.1013 -5.1013 -5.0915 -5.0915 -3.3180 -3.3180 -3.1774 -3.1774 -0.0751 -0.0751 0.6620 0.6620 4.0445 4.0445 4.5565 4.5565 4.8047 4.8047 5.0117 5.0117 5.1749 5.1749 6.4033 6.4033 6.6236 6.6236 7.7303 7.7303 8.0049 8.0049 8.2359 8.2359 8.6118 8.6118 9.2438 9.2438 k = 0.0811-0.0000 0.2358 ( 5550 PWs) bands (ev): -20.5029 -20.5029 -20.4910 -20.4910 -7.2081 -7.2081 -7.1744 -7.1744 -5.3709 -5.3709 -5.3327 -5.3327 -5.1066 -5.1066 -5.0973 -5.0973 -3.3017 -3.3017 -3.1643 -3.1643 -0.0803 -0.0803 0.6379 0.6379 4.0377 4.0377 4.5341 4.5341 4.7419 4.7419 5.0024 5.0024 5.1709 5.1709 6.4059 6.4059 6.6896 6.6896 7.6798 7.6798 7.9942 7.9942 8.2876 8.2876 8.6187 8.6187 9.2623 9.2623 k = 0.0946-0.0000 0.2358 ( 5552 PWs) bands (ev): -20.5023 -20.5023 -20.4906 -20.4906 -7.2091 -7.2091 -7.1758 -7.1758 -5.3701 -5.3701 -5.3308 -5.3308 -5.1129 -5.1129 -5.1038 -5.1038 -3.2826 -3.2826 -3.1488 -3.1488 -0.0868 -0.0868 0.6093 0.6093 4.0295 4.0295 4.4845 4.4845 4.7047 4.7047 4.9934 4.9934 5.1679 5.1679 6.4042 6.4042 6.7524 6.7524 7.6221 7.6221 7.9812 7.9812 8.3448 8.3448 8.6290 8.6290 9.2866 9.2866 k = 0.1081-0.0000 0.2358 ( 5562 PWs) bands (ev): -20.5017 -20.5017 -20.4902 -20.4902 -7.2103 -7.2103 -7.1773 -7.1773 -5.3694 -5.3694 -5.3287 -5.3287 -5.1199 -5.1199 -5.1109 -5.1109 -3.2606 -3.2606 -3.1310 -3.1310 -0.0949 -0.0949 0.5762 0.5762 4.0200 4.0200 4.4102 4.4102 4.6933 4.6933 4.9855 4.9855 5.1661 5.1661 6.3966 6.3966 6.8091 6.8091 7.5582 7.5582 7.9667 7.9667 8.4052 8.4052 8.6435 8.6435 9.3141 9.3141 k = 0.1216-0.0000 0.2358 ( 5568 PWs) bands (ev): -20.5011 -20.5011 -20.4897 -20.4897 -7.2116 -7.2116 -7.1791 -7.1791 -5.3687 -5.3687 -5.3266 -5.3266 -5.1276 -5.1276 -5.1182 -5.1182 -3.2359 -3.2359 -3.1109 -3.1109 -0.1050 -0.1050 0.5384 0.5384 4.0092 4.0092 4.3242 4.3242 4.6968 4.6968 4.9796 4.9796 5.1657 5.1657 6.3817 6.3817 6.8575 6.8575 7.4888 7.4888 7.9519 7.9519 8.4650 8.4650 8.6628 8.6628 9.3402 9.3402 k = 0.1351-0.0000 0.2358 ( 5566 PWs) bands (ev): -20.5003 -20.5003 -20.4892 -20.4892 -7.2130 -7.2130 -7.1811 -7.1811 -5.3682 -5.3682 -5.3244 -5.3244 -5.1358 -5.1358 -5.1258 -5.1258 -3.2086 -3.2086 -3.0884 -3.0884 -0.1172 -0.1172 0.4962 0.4962 3.9969 3.9969 4.2358 4.2358 4.7081 4.7081 4.9764 4.9764 5.1664 5.1664 6.3587 6.3587 6.8962 6.8962 7.4149 7.4149 7.9382 7.9382 8.5194 8.5194 8.6874 8.6874 9.3580 9.3580 k = 0.1486-0.0000 0.2358 ( 5572 PWs) bands (ev): -20.4995 -20.4995 -20.4886 -20.4886 -7.2145 -7.2145 -7.1833 -7.1833 -5.3678 -5.3678 -5.3223 -5.3223 -5.1445 -5.1445 -5.1334 -5.1334 -3.1786 -3.1786 -3.0635 -3.0635 -0.1318 -0.1318 0.4494 0.4494 3.9819 3.9819 4.1509 4.1509 4.7241 4.7241 4.9761 4.9761 5.1682 5.1682 6.3269 6.3269 6.9240 6.9240 7.3373 7.3373 7.9270 7.9270 8.5633 8.5633 8.7170 8.7170 9.3613 9.3613 k = 0.1622-0.0000 0.2358 ( 5574 PWs) bands (ev): -20.4987 -20.4987 -20.4880 -20.4880 -7.2162 -7.2162 -7.1857 -7.1857 -5.3677 -5.3677 -5.3204 -5.3204 -5.1534 -5.1534 -5.1408 -5.1408 -3.1461 -3.1461 -3.0363 -3.0363 -0.1492 -0.1492 0.3982 0.3982 3.9595 3.9595 4.0769 4.0769 4.7433 4.7433 4.9791 4.9791 5.1711 5.1711 6.2861 6.2861 6.9402 6.9402 7.2571 7.2571 7.9197 7.9197 8.5930 8.5930 8.7491 8.7491 9.3492 9.3492 k = 0.1757-0.0000 0.2358 ( 5568 PWs) bands (ev): -20.4978 -20.4978 -20.4873 -20.4873 -7.2180 -7.2180 -7.1882 -7.1882 -5.3678 -5.3678 -5.3189 -5.3189 -5.1623 -5.1623 -5.1480 -5.1480 -3.1111 -3.1111 -3.0068 -3.0068 -0.1696 -0.1696 0.3426 0.3426 3.9188 3.9188 4.0270 4.0270 4.7651 4.7651 4.9852 4.9852 5.1750 5.1750 6.2364 6.2364 6.9444 6.9444 7.1753 7.1753 7.9169 7.9169 8.6068 8.6068 8.7797 8.7797 9.3304 9.3304 k = 0.1892-0.0000 0.2358 ( 5566 PWs) bands (ev): -20.4968 -20.4968 -20.4867 -20.4867 -7.2199 -7.2199 -7.1909 -7.1909 -5.3684 -5.3684 -5.3178 -5.3178 -5.1708 -5.1708 -5.1549 -5.1549 -3.0737 -3.0737 -2.9750 -2.9750 -0.1934 -0.1934 0.2829 0.2829 3.8590 3.8590 4.0036 4.0036 4.7888 4.7888 4.9944 4.9944 5.1797 5.1797 6.1785 6.1785 6.9361 6.9361 7.0933 7.0933 7.9192 7.9192 8.6037 8.6037 8.8055 8.8055 9.3163 9.3163 k = 0.2027-0.0000 0.2358 ( 5564 PWs) bands (ev): -20.4958 -20.4958 -20.4860 -20.4860 -7.2220 -7.2220 -7.1938 -7.1938 -5.3694 -5.3694 -5.3174 -5.3174 -5.1789 -5.1789 -5.1612 -5.1612 -3.0339 -3.0339 -2.9408 -2.9408 -0.2206 -0.2206 0.2192 0.2192 3.7943 3.7943 3.9936 3.9936 4.8142 4.8142 5.0064 5.0064 5.1854 5.1854 6.1130 6.1130 6.9139 6.9139 7.0136 7.0136 7.9264 7.9264 8.5840 8.5840 8.8257 8.8257 9.3133 9.3133 k = 0.2162-0.0000 0.2358 ( 5562 PWs) bands (ev): -20.4948 -20.4948 -20.4853 -20.4853 -7.2241 -7.2241 -7.1968 -7.1968 -5.3709 -5.3709 -5.3179 -5.3179 -5.1860 -5.1860 -5.1669 -5.1669 -2.9917 -2.9917 -2.9043 -2.9043 -0.2517 -0.2517 0.1517 0.1517 3.7324 3.7324 3.9905 3.9905 4.8408 4.8408 5.0208 5.0208 5.1919 5.1919 6.0409 6.0409 6.8731 6.8731 6.9421 6.9421 7.9382 7.9382 8.5497 8.5497 8.8404 8.8404 9.3226 9.3226 k = 0.2297-0.0000 0.2358 ( 5568 PWs) bands (ev): -20.4938 -20.4938 -20.4846 -20.4846 -7.2262 -7.2262 -7.2000 -7.2000 -5.3729 -5.3729 -5.3194 -5.3194 -5.1922 -5.1922 -5.1720 -5.1720 -2.9473 -2.9473 -2.8654 -2.8654 -0.2867 -0.2867 0.0808 0.0808 3.6763 3.6763 3.9921 3.9921 4.8682 4.8682 5.0372 5.0372 5.1992 5.1992 5.9635 5.9635 6.8098 6.8098 6.8844 6.8844 7.9539 7.9539 8.5043 8.5043 8.8494 8.8494 9.3427 9.3427 k = 0.2432-0.0000 0.2358 ( 5574 PWs) bands (ev): -20.4927 -20.4927 -20.4839 -20.4839 -7.2285 -7.2285 -7.2032 -7.2032 -5.3754 -5.3754 -5.3221 -5.3221 -5.1970 -5.1970 -5.1763 -5.1763 -2.9006 -2.9006 -2.8243 -2.8243 -0.3257 -0.3257 0.0066 0.0066 3.6269 3.6269 3.9979 3.9979 4.8960 4.8960 5.0553 5.0553 5.2072 5.2072 5.8820 5.8820 6.7340 6.7340 6.8317 6.8317 7.9727 7.9727 8.4519 8.4519 8.8526 8.8526 9.3709 9.3709 k = 0.2568-0.0000 0.2358 ( 5572 PWs) bands (ev): -20.4917 -20.4917 -20.4832 -20.4832 -7.2308 -7.2308 -7.2065 -7.2065 -5.3785 -5.3785 -5.3260 -5.3260 -5.2006 -5.2006 -5.1799 -5.1799 -2.8518 -2.8518 -2.7808 -2.7808 -0.3689 -0.3689 -0.0705 -0.0705 3.5850 3.5850 4.0079 4.0079 4.9239 4.9239 5.0744 5.0744 5.2159 5.2159 5.7977 5.7977 6.6552 6.6552 6.7764 6.7764 7.9934 7.9934 8.3963 8.3963 8.8501 8.8501 9.4047 9.4047 k = 0.2703-0.0000 0.2358 ( 5570 PWs) bands (ev): -20.4906 -20.4906 -20.4825 -20.4825 -7.2331 -7.2331 -7.2099 -7.2099 -5.3820 -5.3820 -5.3310 -5.3310 -5.2028 -5.2028 -5.1827 -5.1827 -2.8009 -2.8009 -2.7349 -2.7349 -0.4162 -0.4162 -0.1501 -0.1501 3.5509 3.5509 4.0217 4.0217 4.9514 4.9514 5.0938 5.0938 5.2248 5.2248 5.7124 5.7124 6.5765 6.5765 6.7168 6.7168 8.0142 8.0142 8.3404 8.3404 8.8425 8.8425 9.4418 9.4418 k = 0.2838-0.0000 0.2358 ( 5564 PWs) bands (ev): -20.4895 -20.4895 -20.4818 -20.4818 -7.2354 -7.2354 -7.2134 -7.2134 -5.3859 -5.3859 -5.3370 -5.3370 -5.2039 -5.2039 -5.1847 -5.1847 -2.7479 -2.7479 -2.6868 -2.6868 -0.4675 -0.4675 -0.2320 -0.2320 3.5246 3.5246 4.0395 4.0395 4.9780 4.9780 5.1122 5.1122 5.2334 5.2334 5.6285 5.6285 6.4992 6.4992 6.6531 6.6531 8.0328 8.0328 8.2873 8.2873 8.8311 8.8311 9.4800 9.4800 k = 0.2973-0.0000 0.2358 ( 5562 PWs) bands (ev): -20.4885 -20.4885 -20.4811 -20.4811 -7.2377 -7.2377 -7.2168 -7.2168 -5.3901 -5.3901 -5.3437 -5.3437 -5.2040 -5.2040 -5.1861 -5.1861 -2.6930 -2.6930 -2.6363 -2.6363 -0.5227 -0.5227 -0.3158 -0.3158 3.5063 3.5063 4.0609 4.0609 5.0032 5.0032 5.1276 5.1276 5.2407 5.2407 5.5496 5.5496 6.4238 6.4238 6.5864 6.5864 8.0452 8.0452 8.2407 8.2407 8.8179 8.8179 9.5175 9.5175 k = 0.3108-0.0000 0.2358 ( 5560 PWs) bands (ev): -20.4874 -20.4874 -20.4805 -20.4805 -7.2399 -7.2399 -7.2203 -7.2203 -5.3945 -5.3945 -5.3509 -5.3509 -5.2033 -5.2033 -5.1868 -5.1868 -2.6360 -2.6360 -2.5835 -2.5835 -0.5816 -0.5816 -0.4012 -0.4012 3.4957 3.4957 4.0859 4.0859 5.0260 5.0260 5.1360 5.1360 5.2448 5.2448 5.4823 5.4823 6.3507 6.3507 6.5178 6.5178 8.0455 8.0455 8.2054 8.2054 8.8053 8.8053 9.5524 9.5524 k = 0.3243-0.0000 0.2358 ( 5560 PWs) bands (ev): -20.4864 -20.4864 -20.4799 -20.4799 -7.2421 -7.2421 -7.2237 -7.2237 -5.3989 -5.3989 -5.3585 -5.3585 -5.2020 -5.2020 -5.1871 -5.1871 -2.5772 -2.5772 -2.5285 -2.5285 -0.6440 -0.6440 -0.4879 -0.4879 3.4928 3.4928 4.1141 4.1141 5.0438 5.0438 5.1308 5.1308 5.2452 5.2452 5.4363 5.4363 6.2801 6.2801 6.4484 6.4484 8.0294 8.0294 8.1846 8.1846 8.7963 8.7963 9.5831 9.5831 k = 0.3378-0.0000 0.2358 ( 5570 PWs) bands (ev): -20.4854 -20.4854 -20.4794 -20.4794 -7.2442 -7.2442 -7.2271 -7.2271 -5.4034 -5.4034 -5.3660 -5.3660 -5.2003 -5.2003 -5.1870 -5.1870 -2.5166 -2.5166 -2.4712 -2.4712 -0.7095 -0.7095 -0.5755 -0.5755 3.4973 3.4973 4.1451 4.1451 5.0452 5.0452 5.1136 5.1136 5.2458 5.2458 5.4171 5.4171 6.2123 6.2123 6.3794 6.3794 8.0003 8.0003 8.1732 8.1732 8.7938 8.7938 9.6079 9.6079 k = 0.3514-0.0000 0.2358 ( 5570 PWs) bands (ev): -20.4844 -20.4844 -20.4789 -20.4789 -7.2461 -7.2461 -7.2304 -7.2304 -5.4077 -5.4077 -5.3736 -5.3736 -5.1983 -5.1983 -5.1865 -5.1865 -2.4542 -2.4542 -2.4117 -2.4117 -0.7780 -0.7780 -0.6637 -0.6637 3.5090 3.5090 4.1783 4.1783 5.0058 5.0058 5.1110 5.1110 5.2499 5.2499 5.4191 5.4191 6.1477 6.1477 6.3119 6.3119 7.9661 7.9661 8.1625 8.1625 8.8001 8.8001 9.6258 9.6258 k = 0.3649-0.0000 0.2358 ( 5568 PWs) bands (ev): -20.4835 -20.4835 -20.4784 -20.4784 -7.2480 -7.2480 -7.2336 -7.2336 -5.4118 -5.4118 -5.3809 -5.3809 -5.1962 -5.1962 -5.1858 -5.1858 -2.3901 -2.3901 -2.3500 -2.3500 -0.8489 -0.8489 -0.7522 -0.7522 3.5275 3.5275 4.2129 4.2129 4.9397 4.9397 5.1188 5.1188 5.2567 5.2567 5.4329 5.4329 6.0864 6.0864 6.2470 6.2470 7.9317 7.9317 8.1471 8.1471 8.8166 8.8166 9.6359 9.6359 k = 0.3784-0.0000 0.2358 ( 5570 PWs) bands (ev): -20.4826 -20.4826 -20.4780 -20.4780 -7.2496 -7.2496 -7.2366 -7.2366 -5.4156 -5.4156 -5.3879 -5.3879 -5.1940 -5.1940 -5.1850 -5.1850 -2.3243 -2.3243 -2.2862 -2.2862 -0.9220 -0.9220 -0.8407 -0.8407 3.5526 3.5526 4.2473 4.2473 4.8665 4.8665 5.1244 5.1244 5.2656 5.2656 5.4523 5.4523 6.0288 6.0288 6.1857 6.1857 7.9000 7.9000 8.1255 8.1255 8.8432 8.8432 9.6381 9.6381 k = 0.3919-0.0000 0.2358 ( 5564 PWs) bands (ev): -20.4818 -20.4818 -20.4777 -20.4777 -7.2511 -7.2511 -7.2395 -7.2395 -5.4190 -5.4190 -5.3945 -5.3945 -5.1918 -5.1918 -5.1840 -5.1840 -2.2570 -2.2570 -2.2206 -2.2206 -0.9970 -0.9970 -0.9289 -0.9289 3.5838 3.5838 4.2790 4.2790 4.7950 4.7950 5.1233 5.1233 5.2773 5.2773 5.4738 5.4738 5.9756 5.9756 6.1289 6.1289 7.8723 7.8723 8.0981 8.0981 8.8792 8.8792 9.6324 9.6324 k = 0.4054-0.0000 0.2358 ( 5562 PWs) bands (ev): -20.4810 -20.4810 -20.4774 -20.4774 -7.2524 -7.2524 -7.2422 -7.2422 -5.4220 -5.4220 -5.4006 -5.4006 -5.1898 -5.1898 -5.1831 -5.1831 -2.1883 -2.1883 -2.1531 -2.1531 -1.0734 -1.0734 -1.0164 -1.0164 3.6208 3.6208 4.3032 4.3032 4.7325 4.7325 5.1134 5.1134 5.2924 5.2924 5.4947 5.4947 5.9277 5.9277 6.0770 6.0770 7.8495 7.8495 8.0663 8.0663 8.9230 8.9230 9.6186 9.6186 k = 0.4189-0.0000 0.2358 ( 5562 PWs) bands (ev): -20.4803 -20.4803 -20.4772 -20.4772 -7.2534 -7.2534 -7.2447 -7.2447 -5.4244 -5.4244 -5.4062 -5.4062 -5.1878 -5.1878 -5.1823 -5.1823 -2.1181 -2.1181 -2.0841 -2.0841 -1.1508 -1.1508 -1.1029 -1.1029 3.6632 3.6632 4.3124 4.3124 4.6877 4.6877 5.0942 5.0942 5.3111 5.3111 5.5127 5.5127 5.8863 5.8863 6.0305 6.0305 7.8320 7.8320 8.0320 8.0320 8.9730 8.9730 9.5967 9.5967 k = 0.4324-0.0000 0.2358 ( 5572 PWs) bands (ev): -20.4796 -20.4796 -20.4770 -20.4770 -7.2542 -7.2542 -7.2469 -7.2469 -5.4264 -5.4264 -5.4112 -5.4112 -5.1861 -5.1861 -5.1815 -5.1815 -2.0469 -2.0469 -2.0139 -2.0139 -1.2288 -1.2288 -1.1881 -1.1881 3.7107 3.7107 4.2982 4.2982 4.6694 4.6694 5.0664 5.0664 5.3328 5.3328 5.5253 5.5253 5.8533 5.8533 5.9892 5.9892 7.8202 7.8202 7.9966 7.9966 9.0278 9.0278 9.5670 9.5670 k = 0.4459-0.0000 0.2358 ( 5566 PWs) bands (ev): -20.4790 -20.4790 -20.4769 -20.4769 -7.2548 -7.2548 -7.2489 -7.2489 -5.4277 -5.4277 -5.4156 -5.4156 -5.1845 -5.1845 -5.1810 -5.1810 -1.9749 -1.9749 -1.9431 -1.9431 -1.3066 -1.3066 -1.2713 -1.2713 3.7628 3.7628 4.2598 4.2598 4.6786 4.6786 5.0311 5.0311 5.3569 5.3569 5.5299 5.5299 5.8308 5.8308 5.9527 5.9527 7.8143 7.8143 7.9618 7.9618 9.0858 9.0858 9.5302 9.5302 k = 0.4595-0.0000 0.2358 ( 5560 PWs) bands (ev): -20.4785 -20.4785 -20.4769 -20.4769 -7.2551 -7.2551 -7.2506 -7.2506 -5.4285 -5.4285 -5.4194 -5.4194 -5.1832 -5.1832 -5.1806 -5.1806 -1.9029 -1.9029 -1.8727 -1.8727 -1.3829 -1.3829 -1.3517 -1.3517 3.8192 3.8192 4.2049 4.2049 4.7078 4.7078 4.9898 4.9898 5.3828 5.3828 5.5249 5.5249 5.8202 5.8202 5.9206 5.9206 7.8145 7.8145 7.9287 7.9287 9.1460 9.1460 9.4869 9.4869 k = 0.4730-0.0000 0.2358 ( 5556 PWs) bands (ev): -20.4781 -20.4781 -20.4770 -20.4770 -7.2551 -7.2551 -7.2521 -7.2521 -5.4286 -5.4286 -5.4226 -5.4226 -5.1821 -5.1821 -5.1804 -5.1804 -1.8328 -1.8328 -1.8055 -1.8055 -1.4547 -1.4547 -1.4276 -1.4276 3.8792 3.8792 4.1415 4.1415 4.7485 4.7485 4.9440 4.9440 5.4099 5.4099 5.5108 5.5108 5.8208 5.8208 5.8923 5.8923 7.8205 7.8205 7.8984 7.8984 9.2071 9.2071 9.4380 9.4380 k = 0.4865-0.0000 0.2358 ( 5558 PWs) bands (ev): -20.4777 -20.4777 -20.4772 -20.4772 -7.2548 -7.2548 -7.2533 -7.2533 -5.4281 -5.4281 -5.4251 -5.4251 -5.1813 -5.1813 -5.1804 -5.1804 -1.7700 -1.7700 -1.7502 -1.7502 -1.5131 -1.5131 -1.4936 -1.4936 3.9424 3.9424 4.0750 4.0750 4.7954 4.7954 4.8952 4.8952 5.4375 5.4375 5.4898 5.4898 5.8305 5.8305 5.8676 5.8676 7.8323 7.8323 7.8718 7.8718 9.2680 9.2680 9.3846 9.3846 k = 0.5000-0.0000 0.2358 ( 5564 PWs) bands (ev): -20.4774 -20.4774 -20.4774 -20.4774 -7.2542 -7.2542 -7.2542 -7.2542 -5.4269 -5.4269 -5.4269 -5.4269 -5.1807 -5.1807 -5.1807 -5.1807 -1.7328 -1.7328 -1.7328 -1.7328 -1.5317 -1.5317 -1.5317 -1.5317 4.0080 4.0080 4.0080 4.0080 4.8450 4.8450 4.8450 4.8450 5.4647 5.4647 5.4647 5.4647 5.8467 5.8467 5.8467 5.8467 7.8496 7.8496 7.8496 7.8496 9.3276 9.3276 9.3276 9.3276 Writing output data file BaSb2.save init_run : 3.87s CPU 14.02s WALL ( 1 calls) electrons : 614.51s CPU 620.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.40s CPU 1.67s WALL ( 1 calls) Called by electrons: c_bands : 614.49s CPU 619.77s WALL ( 1 calls) v_of_rho : 0.25s CPU 0.97s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.21s CPU 0.65s WALL ( 1 calls) newd : 0.58s CPU 0.91s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.13s WALL ( 254 calls) cegterg : 586.47s CPU 589.75s WALL ( 626 calls) Called by sum_band: Called by *egterg: h_psi : 281.56s CPU 288.34s WALL ( 11005 calls) s_psi : 42.73s CPU 42.93s WALL ( 11005 calls) g_psi : 0.75s CPU 0.72s WALL ( 10125 calls) cdiaghg : 177.58s CPU 175.23s WALL ( 10379 calls) cegterg:over : 52.81s CPU 49.69s WALL ( 10125 calls) cegterg:upda : 10.90s CPU 14.18s WALL ( 10125 calls) cegterg:last : 8.79s CPU 9.49s WALL ( 1673 calls) Called by h_psi: h_psi:vloc : 203.01s CPU 208.12s WALL ( 11005 calls) h_psi:vnl : 78.34s CPU 79.57s WALL ( 11005 calls) add_vuspsi : 29.94s CPU 33.63s WALL ( 11005 calls) General routines calbec : 48.36s CPU 45.86s WALL ( 11005 calls) fft : 0.41s CPU 1.52s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 195.79s CPU 198.14s WALL ( 987852 calls) interpolate : 0.02s CPU 0.09s WALL ( 4 calls) davcio : 0.02s CPU 0.97s WALL ( 508 calls) Parallel routines fft_scatter : 135.55s CPU 133.67s WALL ( 987875 calls) PWSCF : 11m 2.76s CPU 12m57.43s WALL This run was terminated on: 18:43:52 25May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=