Program PWSCF v.5.1.1 starts on 21Jul2015 at 7: 2:31 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: ./LaSn.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 42 33 9 1170 834 129 Max 43 34 10 1173 846 134 Sum 2023 1623 465 56243 40327 6297 bravais-lattice index = 14 lattice parameter (alat) = 12.1208 a.u. unit-cell volume = 844.0204 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.120826 celldm(2)= 1.000000 celldm(3)= 0.687380 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.724248 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.724248 0.689540 0.000000 ) a(3) = ( 0.000000 0.000000 0.687380 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.050335 -0.000000 ) b(2) = ( 0.000000 1.450242 -0.000000 ) b(3) = ( 0.000000 0.000000 1.454800 ) PseudoPot. # 1 for La read from file: /home/autes/Pseudo/La.rel-pbe-n-nc.UPF MD5 check sum: 6f08dcd1d72f485b2e849640f263b2b9 Pseudo is Norm-conserving + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1253 points, 6 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 l(5) = 3 l(6) = 3 PseudoPot. # 2 for Sn read from file: /home/autes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 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 La 3.00 138.90550 La( 1.00) Sn 14.00 118.71000 Sn( 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= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0074354 0.0185928 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0148708 0.0371857 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0223063 0.0557786 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0297417 0.0743714 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0371771 0.0929643 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0446125 0.1115571 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0520480 0.1301500 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0594834 0.1487428 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0669188 0.1673357 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0743542 0.1859285 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0817897 0.2045214 -0.0000000), wk = 0.0026738 k( 13) = ( 0.0892251 0.2231142 -0.0000000), wk = 0.0026738 k( 14) = ( 0.0966605 0.2417071 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1040959 0.2602999 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1115314 0.2788928 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1189668 0.2974856 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1264022 0.3160785 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1338376 0.3346713 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1412731 0.3532642 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1487085 0.3718571 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1561439 0.3904499 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1635793 0.4090428 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1710147 0.4276356 -0.0000000), wk = 0.0026738 k( 25) = ( 0.1784502 0.4462284 -0.0000000), wk = 0.0026738 k( 26) = ( 0.1858856 0.4648213 -0.0000000), wk = 0.0026738 k( 27) = ( 0.1933210 0.4834142 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2007565 0.5020070 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2081919 0.5205999 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2156273 0.5391927 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2230627 0.5577856 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2304981 0.5763784 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2379336 0.5949713 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2453690 0.6135641 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2528044 0.6321570 -0.0000000), wk = 0.0026738 k( 36) = ( 0.2602398 0.6507498 -0.0000000), wk = 0.0026738 k( 37) = ( 0.2676753 0.6693427 -0.0000000), wk = 0.0026738 k( 38) = ( 0.2751107 0.6879355 -0.0000000), wk = 0.0026738 k( 39) = ( 0.2825461 0.7065284 -0.0000000), wk = 0.0026738 k( 40) = ( 0.2899815 0.7251212 -0.0000000), wk = 0.0026738 k( 41) = ( 0.2899815 0.7251212 -0.0000000), wk = 0.0026738 k( 42) = ( 0.2706494 0.7251212 -0.0000000), wk = 0.0026738 k( 43) = ( 0.2513173 0.7251212 -0.0000000), wk = 0.0026738 k( 44) = ( 0.2319852 0.7251213 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2126531 0.7251212 -0.0000000), wk = 0.0026738 k( 46) = ( 0.1933210 0.7251212 -0.0000000), wk = 0.0026738 k( 47) = ( 0.1739889 0.7251212 -0.0000000), wk = 0.0026738 k( 48) = ( 0.1546568 0.7251212 -0.0000000), wk = 0.0026738 k( 49) = ( 0.1353247 0.7251212 -0.0000000), wk = 0.0026738 k( 50) = ( 0.1159926 0.7251212 -0.0000000), wk = 0.0026738 k( 51) = ( 0.0966605 0.7251212 -0.0000000), wk = 0.0026738 k( 52) = ( 0.0773284 0.7251213 -0.0000000), wk = 0.0026738 k( 53) = ( 0.0579963 0.7251213 -0.0000000), wk = 0.0026738 k( 54) = ( 0.0386642 0.7251212 -0.0000000), wk = 0.0026738 k( 55) = ( 0.0193321 0.7251212 -0.0000000), wk = 0.0026738 k( 56) = ( 0.0000000 0.7251212 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0000000 0.7251212 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0000000 0.7251212 0.0202056), wk = 0.0026738 k( 59) = ( 0.0000000 0.7251212 0.0404111), wk = 0.0026738 k( 60) = ( 0.0000000 0.7251212 0.0606167), wk = 0.0026738 k( 61) = ( 0.0000000 0.7251212 0.0808222), wk = 0.0026738 k( 62) = ( 0.0000000 0.7251212 0.1010277), wk = 0.0026738 k( 63) = ( 0.0000000 0.7251212 0.1212333), wk = 0.0026738 k( 64) = ( 0.0000000 0.7251212 0.1414388), wk = 0.0026738 k( 65) = ( 0.0000000 0.7251212 0.1616444), wk = 0.0026738 k( 66) = ( 0.0000000 0.7251212 0.1818499), wk = 0.0026738 k( 67) = ( 0.0000000 0.7251212 0.2020555), wk = 0.0026738 k( 68) = ( 0.0000000 0.7251212 0.2222610), wk = 0.0026738 k( 69) = ( 0.0000000 0.7251212 0.2424666), wk = 0.0026738 k( 70) = ( 0.0000000 0.7251212 0.2626721), wk = 0.0026738 k( 71) = ( 0.0000000 0.7251212 0.2828777), wk = 0.0026738 k( 72) = ( 0.0000000 0.7251212 0.3030832), wk = 0.0026738 k( 73) = ( 0.0000000 0.7251212 0.3232888), wk = 0.0026738 k( 74) = ( 0.0000000 0.7251212 0.3434943), wk = 0.0026738 k( 75) = ( 0.0000000 0.7251212 0.3636999), wk = 0.0026738 k( 76) = ( 0.0000000 0.7251212 0.3839054), wk = 0.0026738 k( 77) = ( 0.0000000 0.7251212 0.4041110), wk = 0.0026738 k( 78) = ( 0.0000000 0.7251212 0.4243165), wk = 0.0026738 k( 79) = ( 0.0000000 0.7251212 0.4445221), wk = 0.0026738 k( 80) = ( 0.0000000 0.7251212 0.4647276), wk = 0.0026738 k( 81) = ( 0.0000000 0.7251212 0.4849332), wk = 0.0026738 k( 82) = ( 0.0000000 0.7251212 0.5051387), wk = 0.0026738 k( 83) = ( 0.0000000 0.7251212 0.5253443), wk = 0.0026738 k( 84) = ( 0.0000000 0.7251212 0.5455498), wk = 0.0026738 k( 85) = ( 0.0000000 0.7251212 0.5657554), wk = 0.0026738 k( 86) = ( 0.0000000 0.7251212 0.5859609), wk = 0.0026738 k( 87) = ( 0.0000000 0.7251212 0.6061665), wk = 0.0026738 k( 88) = ( 0.0000000 0.7251212 0.6263720), wk = 0.0026738 k( 89) = ( 0.0000000 0.7251212 0.6465776), wk = 0.0026738 k( 90) = ( 0.0000000 0.7251212 0.6667831), wk = 0.0026738 k( 91) = ( 0.0000000 0.7251212 0.6869887), wk = 0.0026738 k( 92) = ( 0.0000000 0.7251212 0.7071942), wk = 0.0026738 k( 93) = ( 0.0000000 0.7251212 0.7273998), wk = 0.0026738 k( 94) = ( 0.0000000 0.7251212 0.7273998), wk = 0.0026738 k( 95) = ( 0.0193321 0.7251212 0.7273998), wk = 0.0026738 k( 96) = ( 0.0386642 0.7251212 0.7273998), wk = 0.0026738 k( 97) = ( 0.0579963 0.7251213 0.7273998), wk = 0.0026738 k( 98) = ( 0.0773284 0.7251213 0.7273998), wk = 0.0026738 k( 99) = ( 0.0966605 0.7251212 0.7273998), wk = 0.0026738 k( 100) = ( 0.1159926 0.7251212 0.7273998), wk = 0.0026738 k( 101) = ( 0.1353247 0.7251212 0.7273998), wk = 0.0026738 k( 102) = ( 0.1546568 0.7251212 0.7273998), wk = 0.0026738 k( 103) = ( 0.1739889 0.7251212 0.7273998), wk = 0.0026738 k( 104) = ( 0.1933210 0.7251212 0.7273998), wk = 0.0026738 k( 105) = ( 0.2126531 0.7251212 0.7273998), wk = 0.0026738 k( 106) = ( 0.2319852 0.7251213 0.7273998), wk = 0.0026738 k( 107) = ( 0.2513173 0.7251212 0.7273998), wk = 0.0026738 k( 108) = ( 0.2706494 0.7251212 0.7273998), wk = 0.0026738 k( 109) = ( 0.2899815 0.7251212 0.7273998), wk = 0.0026738 k( 110) = ( 0.2899815 0.7251212 0.7273998), wk = 0.0026738 k( 111) = ( 0.2825461 0.7065284 0.7273998), wk = 0.0026738 k( 112) = ( 0.2751107 0.6879355 0.7273998), wk = 0.0026738 k( 113) = ( 0.2676753 0.6693427 0.7273998), wk = 0.0026738 k( 114) = ( 0.2602398 0.6507498 0.7273998), wk = 0.0026738 k( 115) = ( 0.2528044 0.6321570 0.7273998), wk = 0.0026738 k( 116) = ( 0.2453690 0.6135641 0.7273998), wk = 0.0026738 k( 117) = ( 0.2379336 0.5949713 0.7273998), wk = 0.0026738 k( 118) = ( 0.2304981 0.5763784 0.7273998), wk = 0.0026738 k( 119) = ( 0.2230627 0.5577856 0.7273998), wk = 0.0026738 k( 120) = ( 0.2156273 0.5391927 0.7273998), wk = 0.0026738 k( 121) = ( 0.2081919 0.5205999 0.7273998), wk = 0.0026738 k( 122) = ( 0.2007565 0.5020070 0.7273998), wk = 0.0026738 k( 123) = ( 0.1933210 0.4834142 0.7273998), wk = 0.0026738 k( 124) = ( 0.1858856 0.4648213 0.7273998), wk = 0.0026738 k( 125) = ( 0.1784502 0.4462284 0.7273998), wk = 0.0026738 k( 126) = ( 0.1710147 0.4276356 0.7273998), wk = 0.0026738 k( 127) = ( 0.1635793 0.4090428 0.7273998), wk = 0.0026738 k( 128) = ( 0.1561439 0.3904499 0.7273998), wk = 0.0026738 k( 129) = ( 0.1487085 0.3718571 0.7273998), wk = 0.0026738 k( 130) = ( 0.1412731 0.3532642 0.7273998), wk = 0.0026738 k( 131) = ( 0.1338376 0.3346713 0.7273998), wk = 0.0026738 k( 132) = ( 0.1264022 0.3160785 0.7273998), wk = 0.0026738 k( 133) = ( 0.1189668 0.2974856 0.7273998), wk = 0.0026738 k( 134) = ( 0.1115314 0.2788928 0.7273998), wk = 0.0026738 k( 135) = ( 0.1040959 0.2602999 0.7273998), wk = 0.0026738 k( 136) = ( 0.0966605 0.2417071 0.7273998), wk = 0.0026738 k( 137) = ( 0.0892251 0.2231142 0.7273998), wk = 0.0026738 k( 138) = ( 0.0817897 0.2045214 0.7273998), wk = 0.0026738 k( 139) = ( 0.0743542 0.1859285 0.7273998), wk = 0.0026738 k( 140) = ( 0.0669188 0.1673357 0.7273998), wk = 0.0026738 k( 141) = ( 0.0594834 0.1487428 0.7273998), wk = 0.0026738 k( 142) = ( 0.0520480 0.1301500 0.7273998), wk = 0.0026738 k( 143) = ( 0.0446125 0.1115571 0.7273998), wk = 0.0026738 k( 144) = ( 0.0371771 0.0929643 0.7273998), wk = 0.0026738 k( 145) = ( 0.0297417 0.0743714 0.7273998), wk = 0.0026738 k( 146) = ( 0.0223063 0.0557786 0.7273998), wk = 0.0026738 k( 147) = ( 0.0148708 0.0371857 0.7273998), wk = 0.0026738 k( 148) = ( 0.0074354 0.0185928 0.7273998), wk = 0.0026738 k( 149) = ( 0.0000000 0.0000000 0.7273998), wk = 0.0026738 k( 150) = ( 0.0000000 0.0000000 0.7273998), wk = 0.0026738 k( 151) = ( 0.0000000 0.0000000 0.7071942), wk = 0.0026738 k( 152) = ( 0.0000000 0.0000000 0.6869887), wk = 0.0026738 k( 153) = ( 0.0000000 0.0000000 0.6667831), wk = 0.0026738 k( 154) = ( 0.0000000 0.0000000 0.6465776), wk = 0.0026738 k( 155) = ( 0.0000000 0.0000000 0.6263720), wk = 0.0026738 k( 156) = ( 0.0000000 0.0000000 0.6061665), wk = 0.0026738 k( 157) = ( 0.0000000 0.0000000 0.5859609), wk = 0.0026738 k( 158) = ( 0.0000000 0.0000000 0.5657554), wk = 0.0026738 k( 159) = ( 0.0000000 0.0000000 0.5455498), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5253443), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5051387), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.4849332), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.4647276), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4445221), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4243165), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4041110), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.3839054), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.3636999), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.3434943), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3232888), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3030832), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.2828777), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.2626721), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.2424666), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.2222610), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2020555), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.1818499), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.1616444), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.1414388), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.1212333), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.1010277), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.0808222), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.0606167), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.0404111), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.0202056), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 188) = ( -0.0185185 0.0074057 -0.0000000), wk = 0.0026738 k( 189) = ( -0.0370370 0.0148114 -0.0000000), wk = 0.0026738 k( 190) = ( -0.0555556 0.0222171 -0.0000000), wk = 0.0026738 k( 191) = ( -0.0740741 0.0296228 -0.0000000), wk = 0.0026738 k( 192) = ( -0.0925926 0.0370285 -0.0000000), wk = 0.0026738 k( 193) = ( -0.1111111 0.0444342 -0.0000000), wk = 0.0026738 k( 194) = ( -0.1296296 0.0518399 -0.0000000), wk = 0.0026738 k( 195) = ( -0.1481482 0.0592456 -0.0000000), wk = 0.0026738 k( 196) = ( -0.1666667 0.0666513 -0.0000000), wk = 0.0026738 k( 197) = ( -0.1851852 0.0740570 -0.0000000), wk = 0.0026738 k( 198) = ( -0.2037037 0.0814627 -0.0000000), wk = 0.0026738 k( 199) = ( -0.2222222 0.0888684 -0.0000000), wk = 0.0026738 k( 200) = ( -0.2407407 0.0962741 -0.0000000), wk = 0.0026738 k( 201) = ( -0.2592593 0.1036798 -0.0000000), wk = 0.0026738 k( 202) = ( -0.2777778 0.1110855 -0.0000000), wk = 0.0026738 k( 203) = ( -0.2962963 0.1184912 -0.0000000), wk = 0.0026738 k( 204) = ( -0.3148148 0.1258969 -0.0000000), wk = 0.0026738 k( 205) = ( -0.3333333 0.1333025 -0.0000000), wk = 0.0026738 k( 206) = ( -0.3518519 0.1407082 -0.0000000), wk = 0.0026738 k( 207) = ( -0.3703704 0.1481139 -0.0000000), wk = 0.0026738 k( 208) = ( -0.3888889 0.1555196 -0.0000000), wk = 0.0026738 k( 209) = ( -0.4074074 0.1629253 -0.0000000), wk = 0.0026738 k( 210) = ( -0.4259259 0.1703310 -0.0000000), wk = 0.0026738 k( 211) = ( -0.4444444 0.1777367 -0.0000000), wk = 0.0026738 k( 212) = ( -0.4629630 0.1851424 -0.0000000), wk = 0.0026738 k( 213) = ( -0.4814815 0.1925481 -0.0000000), wk = 0.0026738 k( 214) = ( -0.5000000 0.1999538 -0.0000000), wk = 0.0026738 k( 215) = ( -0.5000000 0.1999538 -0.0000000), wk = 0.0026738 k( 216) = ( -0.4924993 0.2187098 -0.0000000), wk = 0.0026738 k( 217) = ( -0.4849987 0.2374658 -0.0000000), wk = 0.0026738 k( 218) = ( -0.4774980 0.2562218 -0.0000000), wk = 0.0026738 k( 219) = ( -0.4699974 0.2749777 -0.0000000), wk = 0.0026738 k( 220) = ( -0.4624967 0.2937337 -0.0000000), wk = 0.0026738 k( 221) = ( -0.4549960 0.3124897 -0.0000000), wk = 0.0026738 k( 222) = ( -0.4474954 0.3312457 -0.0000000), wk = 0.0026738 k( 223) = ( -0.4399947 0.3500017 -0.0000000), wk = 0.0026738 k( 224) = ( -0.4324941 0.3687576 -0.0000000), wk = 0.0026738 k( 225) = ( -0.4249934 0.3875136 -0.0000000), wk = 0.0026738 k( 226) = ( -0.4174927 0.4062696 -0.0000000), wk = 0.0026738 k( 227) = ( -0.4099921 0.4250256 -0.0000000), wk = 0.0026738 k( 228) = ( -0.4024914 0.4437815 -0.0000000), wk = 0.0026738 k( 229) = ( -0.3949908 0.4625375 -0.0000000), wk = 0.0026738 k( 230) = ( -0.3874901 0.4812935 -0.0000000), wk = 0.0026738 k( 231) = ( -0.3799895 0.5000495 -0.0000000), wk = 0.0026738 k( 232) = ( -0.3724888 0.5188055 -0.0000000), wk = 0.0026738 k( 233) = ( -0.3649881 0.5375614 -0.0000000), wk = 0.0026738 k( 234) = ( -0.3574875 0.5563174 -0.0000000), wk = 0.0026738 k( 235) = ( -0.3499868 0.5750734 -0.0000000), wk = 0.0026738 k( 236) = ( -0.3424861 0.5938294 -0.0000000), wk = 0.0026738 k( 237) = ( -0.3349855 0.6125854 -0.0000000), wk = 0.0026738 k( 238) = ( -0.3274848 0.6313413 -0.0000000), wk = 0.0026738 k( 239) = ( -0.3199842 0.6500973 -0.0000000), wk = 0.0026738 k( 240) = ( -0.3124835 0.6688533 -0.0000000), wk = 0.0026738 k( 241) = ( -0.3049829 0.6876093 -0.0000000), wk = 0.0026738 k( 242) = ( -0.2974822 0.7063653 -0.0000000), wk = 0.0026738 k( 243) = ( -0.2899815 0.7251212 -0.0000000), wk = 0.0026738 k( 244) = ( -0.2899815 0.7251212 -0.0000000), wk = 0.0026738 k( 245) = ( -0.2899815 0.7251212 0.0202056), wk = 0.0026738 k( 246) = ( -0.2899815 0.7251212 0.0404111), wk = 0.0026738 k( 247) = ( -0.2899815 0.7251212 0.0606167), wk = 0.0026738 k( 248) = ( -0.2899815 0.7251212 0.0808222), wk = 0.0026738 k( 249) = ( -0.2899815 0.7251212 0.1010277), wk = 0.0026738 k( 250) = ( -0.2899815 0.7251212 0.1212333), wk = 0.0026738 k( 251) = ( -0.2899815 0.7251212 0.1414388), wk = 0.0026738 k( 252) = ( -0.2899815 0.7251212 0.1616444), wk = 0.0026738 k( 253) = ( -0.2899815 0.7251212 0.1818499), wk = 0.0026738 k( 254) = ( -0.2899815 0.7251212 0.2020555), wk = 0.0026738 k( 255) = ( -0.2899815 0.7251212 0.2222610), wk = 0.0026738 k( 256) = ( -0.2899815 0.7251212 0.2424666), wk = 0.0026738 k( 257) = ( -0.2899815 0.7251212 0.2626721), wk = 0.0026738 k( 258) = ( -0.2899815 0.7251212 0.2828777), wk = 0.0026738 k( 259) = ( -0.2899815 0.7251212 0.3030832), wk = 0.0026738 k( 260) = ( -0.2899815 0.7251212 0.3232888), wk = 0.0026738 k( 261) = ( -0.2899815 0.7251212 0.3434943), wk = 0.0026738 k( 262) = ( -0.2899815 0.7251212 0.3636999), wk = 0.0026738 k( 263) = ( -0.2899815 0.7251212 0.3839054), wk = 0.0026738 k( 264) = ( -0.2899815 0.7251212 0.4041110), wk = 0.0026738 k( 265) = ( -0.2899815 0.7251212 0.4243165), wk = 0.0026738 k( 266) = ( -0.2899815 0.7251212 0.4445221), wk = 0.0026738 k( 267) = ( -0.2899815 0.7251212 0.4647276), wk = 0.0026738 k( 268) = ( -0.2899815 0.7251212 0.4849332), wk = 0.0026738 k( 269) = ( -0.2899815 0.7251212 0.5051387), wk = 0.0026738 k( 270) = ( -0.2899815 0.7251212 0.5253443), wk = 0.0026738 k( 271) = ( -0.2899815 0.7251212 0.5455498), wk = 0.0026738 k( 272) = ( -0.2899815 0.7251212 0.5657554), wk = 0.0026738 k( 273) = ( -0.2899815 0.7251212 0.5859609), wk = 0.0026738 k( 274) = ( -0.2899815 0.7251212 0.6061665), wk = 0.0026738 k( 275) = ( -0.2899815 0.7251212 0.6263720), wk = 0.0026738 k( 276) = ( -0.2899815 0.7251212 0.6465776), wk = 0.0026738 k( 277) = ( -0.2899815 0.7251212 0.6667831), wk = 0.0026738 k( 278) = ( -0.2899815 0.7251212 0.6869887), wk = 0.0026738 k( 279) = ( -0.2899815 0.7251212 0.7071942), wk = 0.0026738 k( 280) = ( -0.2899815 0.7251212 0.7273998), wk = 0.0026738 k( 281) = ( -0.2899815 0.7251212 0.7273998), wk = 0.0026738 k( 282) = ( -0.2974822 0.7063653 0.7273998), wk = 0.0026738 k( 283) = ( -0.3049829 0.6876093 0.7273998), wk = 0.0026738 k( 284) = ( -0.3124835 0.6688533 0.7273998), wk = 0.0026738 k( 285) = ( -0.3199842 0.6500973 0.7273998), wk = 0.0026738 k( 286) = ( -0.3274848 0.6313413 0.7273998), wk = 0.0026738 k( 287) = ( -0.3349855 0.6125854 0.7273998), wk = 0.0026738 k( 288) = ( -0.3424861 0.5938294 0.7273998), wk = 0.0026738 k( 289) = ( -0.3499868 0.5750734 0.7273998), wk = 0.0026738 k( 290) = ( -0.3574875 0.5563174 0.7273998), wk = 0.0026738 k( 291) = ( -0.3649881 0.5375614 0.7273998), wk = 0.0026738 k( 292) = ( -0.3724888 0.5188055 0.7273998), wk = 0.0026738 k( 293) = ( -0.3799895 0.5000495 0.7273998), wk = 0.0026738 k( 294) = ( -0.3874901 0.4812935 0.7273998), wk = 0.0026738 k( 295) = ( -0.3949908 0.4625375 0.7273998), wk = 0.0026738 k( 296) = ( -0.4024914 0.4437815 0.7273998), wk = 0.0026738 k( 297) = ( -0.4099921 0.4250256 0.7273998), wk = 0.0026738 k( 298) = ( -0.4174927 0.4062696 0.7273998), wk = 0.0026738 k( 299) = ( -0.4249934 0.3875136 0.7273998), wk = 0.0026738 k( 300) = ( -0.4324941 0.3687576 0.7273998), wk = 0.0026738 k( 301) = ( -0.4399947 0.3500017 0.7273998), wk = 0.0026738 k( 302) = ( -0.4474954 0.3312457 0.7273998), wk = 0.0026738 k( 303) = ( -0.4549960 0.3124897 0.7273998), wk = 0.0026738 k( 304) = ( -0.4624967 0.2937337 0.7273998), wk = 0.0026738 k( 305) = ( -0.4699974 0.2749777 0.7273998), wk = 0.0026738 k( 306) = ( -0.4774980 0.2562218 0.7273998), wk = 0.0026738 k( 307) = ( -0.4849987 0.2374658 0.7273998), wk = 0.0026738 k( 308) = ( -0.4924993 0.2187098 0.7273998), wk = 0.0026738 k( 309) = ( -0.5000000 0.1999538 0.7273998), wk = 0.0026738 k( 310) = ( -0.5000000 0.1999538 0.7273998), wk = 0.0026738 k( 311) = ( -0.5000000 0.1999538 0.7071942), wk = 0.0026738 k( 312) = ( -0.5000000 0.1999538 0.6869887), wk = 0.0026738 k( 313) = ( -0.5000000 0.1999538 0.6667831), wk = 0.0026738 k( 314) = ( -0.5000000 0.1999538 0.6465776), wk = 0.0026738 k( 315) = ( -0.5000000 0.1999538 0.6263720), wk = 0.0026738 k( 316) = ( -0.5000000 0.1999538 0.6061665), wk = 0.0026738 k( 317) = ( -0.5000000 0.1999538 0.5859609), wk = 0.0026738 k( 318) = ( -0.5000000 0.1999538 0.5657554), wk = 0.0026738 k( 319) = ( -0.5000000 0.1999538 0.5455498), wk = 0.0026738 k( 320) = ( -0.5000000 0.1999538 0.5253443), wk = 0.0026738 k( 321) = ( -0.5000000 0.1999538 0.5051387), wk = 0.0026738 k( 322) = ( -0.5000000 0.1999538 0.4849332), wk = 0.0026738 k( 323) = ( -0.5000000 0.1999538 0.4647276), wk = 0.0026738 k( 324) = ( -0.5000000 0.1999538 0.4445221), wk = 0.0026738 k( 325) = ( -0.5000000 0.1999538 0.4243165), wk = 0.0026738 k( 326) = ( -0.5000000 0.1999538 0.4041110), wk = 0.0026738 k( 327) = ( -0.5000000 0.1999538 0.3839054), wk = 0.0026738 k( 328) = ( -0.5000000 0.1999538 0.3636999), wk = 0.0026738 k( 329) = ( -0.5000000 0.1999538 0.3434943), wk = 0.0026738 k( 330) = ( -0.5000000 0.1999538 0.3232888), wk = 0.0026738 k( 331) = ( -0.5000000 0.1999538 0.3030832), wk = 0.0026738 k( 332) = ( -0.5000000 0.1999538 0.2828777), wk = 0.0026738 k( 333) = ( -0.5000000 0.1999538 0.2626721), wk = 0.0026738 k( 334) = ( -0.5000000 0.1999538 0.2424666), wk = 0.0026738 k( 335) = ( -0.5000000 0.1999538 0.2222610), wk = 0.0026738 k( 336) = ( -0.5000000 0.1999538 0.2020555), wk = 0.0026738 k( 337) = ( -0.5000000 0.1999538 0.1818499), wk = 0.0026738 k( 338) = ( -0.5000000 0.1999538 0.1616444), wk = 0.0026738 k( 339) = ( -0.5000000 0.1999538 0.1414388), wk = 0.0026738 k( 340) = ( -0.5000000 0.1999538 0.1212333), wk = 0.0026738 k( 341) = ( -0.5000000 0.1999538 0.1010277), wk = 0.0026738 k( 342) = ( -0.5000000 0.1999538 0.0808222), wk = 0.0026738 k( 343) = ( -0.5000000 0.1999538 0.0606167), wk = 0.0026738 k( 344) = ( -0.5000000 0.1999538 0.0404111), wk = 0.0026738 k( 345) = ( -0.5000000 0.1999538 0.0202056), wk = 0.0026738 k( 346) = ( -0.5000000 0.1999538 -0.0000000), wk = 0.0026738 k( 347) = ( 0.0000000 0.0000000 0.7273998), wk = 0.0026738 k( 348) = ( -0.0185185 0.0074057 0.7273998), wk = 0.0026738 k( 349) = ( -0.0370370 0.0148114 0.7273998), wk = 0.0026738 k( 350) = ( -0.0555556 0.0222171 0.7273998), wk = 0.0026738 k( 351) = ( -0.0740741 0.0296228 0.7273998), wk = 0.0026738 k( 352) = ( -0.0925926 0.0370285 0.7273998), wk = 0.0026738 k( 353) = ( -0.1111111 0.0444342 0.7273998), wk = 0.0026738 k( 354) = ( -0.1296296 0.0518399 0.7273998), wk = 0.0026738 k( 355) = ( -0.1481482 0.0592456 0.7273998), wk = 0.0026738 k( 356) = ( -0.1666667 0.0666513 0.7273998), wk = 0.0026738 k( 357) = ( -0.1851852 0.0740570 0.7273998), wk = 0.0026738 k( 358) = ( -0.2037037 0.0814627 0.7273998), wk = 0.0026738 k( 359) = ( -0.2222222 0.0888684 0.7273998), wk = 0.0026738 k( 360) = ( -0.2407407 0.0962741 0.7273998), wk = 0.0026738 k( 361) = ( -0.2592593 0.1036798 0.7273998), wk = 0.0026738 k( 362) = ( -0.2777778 0.1110855 0.7273998), wk = 0.0026738 k( 363) = ( -0.2962963 0.1184912 0.7273998), wk = 0.0026738 k( 364) = ( -0.3148148 0.1258969 0.7273998), wk = 0.0026738 k( 365) = ( -0.3333333 0.1333025 0.7273998), wk = 0.0026738 k( 366) = ( -0.3518519 0.1407082 0.7273998), wk = 0.0026738 k( 367) = ( -0.3703704 0.1481139 0.7273998), wk = 0.0026738 k( 368) = ( -0.3888889 0.1555196 0.7273998), wk = 0.0026738 k( 369) = ( -0.4074074 0.1629253 0.7273998), wk = 0.0026738 k( 370) = ( -0.4259259 0.1703310 0.7273998), wk = 0.0026738 k( 371) = ( -0.4444444 0.1777367 0.7273998), wk = 0.0026738 k( 372) = ( -0.4629630 0.1851424 0.7273998), wk = 0.0026738 k( 373) = ( -0.4814815 0.1925481 0.7273998), wk = 0.0026738 k( 374) = ( -0.5000000 0.1999538 0.7273998), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0074354 0.0074354 0.0000000), wk = 0.0026738 k( 3) = ( 0.0148708 0.0148709 0.0000000), wk = 0.0026738 k( 4) = ( 0.0223063 0.0223063 0.0000000), wk = 0.0026738 k( 5) = ( 0.0297417 0.0297417 0.0000000), wk = 0.0026738 k( 6) = ( 0.0371771 0.0371771 0.0000000), wk = 0.0026738 k( 7) = ( 0.0446125 0.0446125 0.0000000), wk = 0.0026738 k( 8) = ( 0.0520480 0.0520480 0.0000000), wk = 0.0026738 k( 9) = ( 0.0594834 0.0594834 0.0000000), wk = 0.0026738 k( 10) = ( 0.0669188 0.0669188 0.0000000), wk = 0.0026738 k( 11) = ( 0.0743542 0.0743542 0.0000000), wk = 0.0026738 k( 12) = ( 0.0817897 0.0817897 0.0000000), wk = 0.0026738 k( 13) = ( 0.0892251 0.0892251 0.0000000), wk = 0.0026738 k( 14) = ( 0.0966605 0.0966605 0.0000000), wk = 0.0026738 k( 15) = ( 0.1040959 0.1040959 0.0000000), wk = 0.0026738 k( 16) = ( 0.1115314 0.1115314 0.0000000), wk = 0.0026738 k( 17) = ( 0.1189668 0.1189668 0.0000000), wk = 0.0026738 k( 18) = ( 0.1264022 0.1264022 0.0000000), wk = 0.0026738 k( 19) = ( 0.1338376 0.1338376 0.0000000), wk = 0.0026738 k( 20) = ( 0.1412731 0.1412731 0.0000000), wk = 0.0026738 k( 21) = ( 0.1487085 0.1487085 0.0000000), wk = 0.0026738 k( 22) = ( 0.1561439 0.1561439 0.0000000), wk = 0.0026738 k( 23) = ( 0.1635793 0.1635793 0.0000000), wk = 0.0026738 k( 24) = ( 0.1710147 0.1710148 0.0000000), wk = 0.0026738 k( 25) = ( 0.1784502 0.1784502 0.0000000), wk = 0.0026738 k( 26) = ( 0.1858856 0.1858856 0.0000000), wk = 0.0026738 k( 27) = ( 0.1933210 0.1933210 0.0000000), wk = 0.0026738 k( 28) = ( 0.2007565 0.2007565 0.0000000), wk = 0.0026738 k( 29) = ( 0.2081919 0.2081919 0.0000000), wk = 0.0026738 k( 30) = ( 0.2156273 0.2156273 0.0000000), wk = 0.0026738 k( 31) = ( 0.2230627 0.2230627 0.0000000), wk = 0.0026738 k( 32) = ( 0.2304981 0.2304981 0.0000000), wk = 0.0026738 k( 33) = ( 0.2379336 0.2379336 0.0000000), wk = 0.0026738 k( 34) = ( 0.2453690 0.2453690 0.0000000), wk = 0.0026738 k( 35) = ( 0.2528044 0.2528044 0.0000000), wk = 0.0026738 k( 36) = ( 0.2602398 0.2602398 0.0000000), wk = 0.0026738 k( 37) = ( 0.2676753 0.2676753 0.0000000), wk = 0.0026738 k( 38) = ( 0.2751107 0.2751107 0.0000000), wk = 0.0026738 k( 39) = ( 0.2825461 0.2825461 0.0000000), wk = 0.0026738 k( 40) = ( 0.2899815 0.2899815 0.0000000), wk = 0.0026738 k( 41) = ( 0.2899815 0.2899815 0.0000000), wk = 0.0026738 k( 42) = ( 0.2706494 0.3039828 0.0000000), wk = 0.0026738 k( 43) = ( 0.2513173 0.3179840 0.0000000), wk = 0.0026738 k( 44) = ( 0.2319852 0.3319852 0.0000000), wk = 0.0026738 k( 45) = ( 0.2126531 0.3459865 0.0000000), wk = 0.0026738 k( 46) = ( 0.1933210 0.3599877 0.0000000), wk = 0.0026738 k( 47) = ( 0.1739889 0.3739889 0.0000000), wk = 0.0026738 k( 48) = ( 0.1546568 0.3879902 0.0000000), wk = 0.0026738 k( 49) = ( 0.1353247 0.4019914 0.0000000), wk = 0.0026738 k( 50) = ( 0.1159926 0.4159926 0.0000000), wk = 0.0026738 k( 51) = ( 0.0966605 0.4299938 0.0000000), wk = 0.0026738 k( 52) = ( 0.0773284 0.4439951 0.0000000), wk = 0.0026738 k( 53) = ( 0.0579963 0.4579963 0.0000000), wk = 0.0026738 k( 54) = ( 0.0386642 0.4719975 0.0000000), wk = 0.0026738 k( 55) = ( 0.0193321 0.4859988 -0.0000000), wk = 0.0026738 k( 56) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 57) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 58) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0026738 k( 59) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0026738 k( 60) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0026738 k( 61) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0026738 k( 62) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0026738 k( 63) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0026738 k( 64) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0026738 k( 65) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0026738 k( 66) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0026738 k( 67) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0026738 k( 68) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0026738 k( 69) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026738 k( 70) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0026738 k( 71) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0026738 k( 72) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0026738 k( 73) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0026738 k( 74) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0026738 k( 75) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026738 k( 76) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0026738 k( 77) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0026738 k( 78) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0026738 k( 79) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0026738 k( 80) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0026738 k( 81) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026738 k( 82) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0026738 k( 83) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0026738 k( 84) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0026738 k( 85) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0026738 k( 86) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0026738 k( 87) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0026738 k( 88) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0026738 k( 89) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0026738 k( 90) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0026738 k( 91) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0026738 k( 92) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0026738 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 94) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 95) = ( 0.0193321 0.4859988 0.5000000), wk = 0.0026738 k( 96) = ( 0.0386642 0.4719975 0.5000000), wk = 0.0026738 k( 97) = ( 0.0579963 0.4579963 0.5000000), wk = 0.0026738 k( 98) = ( 0.0773284 0.4439951 0.5000000), wk = 0.0026738 k( 99) = ( 0.0966605 0.4299938 0.5000000), wk = 0.0026738 k( 100) = ( 0.1159926 0.4159926 0.5000000), wk = 0.0026738 k( 101) = ( 0.1353247 0.4019914 0.5000000), wk = 0.0026738 k( 102) = ( 0.1546568 0.3879902 0.5000000), wk = 0.0026738 k( 103) = ( 0.1739889 0.3739889 0.5000000), wk = 0.0026738 k( 104) = ( 0.1933210 0.3599877 0.5000000), wk = 0.0026738 k( 105) = ( 0.2126531 0.3459865 0.5000000), wk = 0.0026738 k( 106) = ( 0.2319852 0.3319852 0.5000000), wk = 0.0026738 k( 107) = ( 0.2513173 0.3179840 0.5000000), wk = 0.0026738 k( 108) = ( 0.2706494 0.3039828 0.5000000), wk = 0.0026738 k( 109) = ( 0.2899815 0.2899815 0.5000000), wk = 0.0026738 k( 110) = ( 0.2899815 0.2899815 0.5000000), wk = 0.0026738 k( 111) = ( 0.2825461 0.2825461 0.5000000), wk = 0.0026738 k( 112) = ( 0.2751107 0.2751107 0.5000000), wk = 0.0026738 k( 113) = ( 0.2676753 0.2676753 0.5000000), wk = 0.0026738 k( 114) = ( 0.2602398 0.2602398 0.5000000), wk = 0.0026738 k( 115) = ( 0.2528044 0.2528044 0.5000000), wk = 0.0026738 k( 116) = ( 0.2453690 0.2453690 0.5000000), wk = 0.0026738 k( 117) = ( 0.2379336 0.2379336 0.5000000), wk = 0.0026738 k( 118) = ( 0.2304981 0.2304981 0.5000000), wk = 0.0026738 k( 119) = ( 0.2230627 0.2230627 0.5000000), wk = 0.0026738 k( 120) = ( 0.2156273 0.2156273 0.5000000), wk = 0.0026738 k( 121) = ( 0.2081919 0.2081919 0.5000000), wk = 0.0026738 k( 122) = ( 0.2007565 0.2007565 0.5000000), wk = 0.0026738 k( 123) = ( 0.1933210 0.1933210 0.5000000), wk = 0.0026738 k( 124) = ( 0.1858856 0.1858856 0.5000000), wk = 0.0026738 k( 125) = ( 0.1784502 0.1784502 0.5000000), wk = 0.0026738 k( 126) = ( 0.1710147 0.1710148 0.5000000), wk = 0.0026738 k( 127) = ( 0.1635793 0.1635793 0.5000000), wk = 0.0026738 k( 128) = ( 0.1561439 0.1561439 0.5000000), wk = 0.0026738 k( 129) = ( 0.1487085 0.1487085 0.5000000), wk = 0.0026738 k( 130) = ( 0.1412731 0.1412731 0.5000000), wk = 0.0026738 k( 131) = ( 0.1338376 0.1338376 0.5000000), wk = 0.0026738 k( 132) = ( 0.1264022 0.1264022 0.5000000), wk = 0.0026738 k( 133) = ( 0.1189668 0.1189668 0.5000000), wk = 0.0026738 k( 134) = ( 0.1115314 0.1115314 0.5000000), wk = 0.0026738 k( 135) = ( 0.1040959 0.1040959 0.5000000), wk = 0.0026738 k( 136) = ( 0.0966605 0.0966605 0.5000000), wk = 0.0026738 k( 137) = ( 0.0892251 0.0892251 0.5000000), wk = 0.0026738 k( 138) = ( 0.0817897 0.0817897 0.5000000), wk = 0.0026738 k( 139) = ( 0.0743542 0.0743542 0.5000000), wk = 0.0026738 k( 140) = ( 0.0669188 0.0669188 0.5000000), wk = 0.0026738 k( 141) = ( 0.0594834 0.0594834 0.5000000), wk = 0.0026738 k( 142) = ( 0.0520480 0.0520480 0.5000000), wk = 0.0026738 k( 143) = ( 0.0446125 0.0446125 0.5000000), wk = 0.0026738 k( 144) = ( 0.0371771 0.0371771 0.5000000), wk = 0.0026738 k( 145) = ( 0.0297417 0.0297417 0.5000000), wk = 0.0026738 k( 146) = ( 0.0223063 0.0223063 0.5000000), wk = 0.0026738 k( 147) = ( 0.0148708 0.0148709 0.5000000), wk = 0.0026738 k( 148) = ( 0.0074354 0.0074354 0.5000000), wk = 0.0026738 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 151) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0026738 k( 152) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0026738 k( 153) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0026738 k( 154) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0026738 k( 155) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0026738 k( 156) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0026738 k( 157) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0026738 k( 158) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0026738 k( 159) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 188) = ( -0.0185185 0.0185185 -0.0000000), wk = 0.0026738 k( 189) = ( -0.0370370 0.0370370 -0.0000000), wk = 0.0026738 k( 190) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0026738 k( 191) = ( -0.0740741 0.0740741 -0.0000000), wk = 0.0026738 k( 192) = ( -0.0925926 0.0925926 0.0000000), wk = 0.0026738 k( 193) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0026738 k( 194) = ( -0.1296296 0.1296296 -0.0000000), wk = 0.0026738 k( 195) = ( -0.1481482 0.1481482 -0.0000000), wk = 0.0026738 k( 196) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0026738 k( 197) = ( -0.1851852 0.1851852 -0.0000000), wk = 0.0026738 k( 198) = ( -0.2037037 0.2037037 0.0000000), wk = 0.0026738 k( 199) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0026738 k( 200) = ( -0.2407407 0.2407407 -0.0000000), wk = 0.0026738 k( 201) = ( -0.2592593 0.2592593 -0.0000000), wk = 0.0026738 k( 202) = ( -0.2777778 0.2777778 -0.0000000), wk = 0.0026738 k( 203) = ( -0.2962963 0.2962963 -0.0000000), wk = 0.0026738 k( 204) = ( -0.3148148 0.3148148 -0.0000000), wk = 0.0026738 k( 205) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 206) = ( -0.3518519 0.3518519 0.0000000), wk = 0.0026738 k( 207) = ( -0.3703704 0.3703704 -0.0000000), wk = 0.0026738 k( 208) = ( -0.3888889 0.3888889 -0.0000000), wk = 0.0026738 k( 209) = ( -0.4074074 0.4074074 -0.0000000), wk = 0.0026738 k( 210) = ( -0.4259259 0.4259259 -0.0000000), wk = 0.0026738 k( 211) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0026738 k( 212) = ( -0.4629630 0.4629630 -0.0000000), wk = 0.0026738 k( 213) = ( -0.4814815 0.4814815 -0.0000000), wk = 0.0026738 k( 214) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026738 k( 215) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026738 k( 216) = ( -0.4924993 0.5075007 -0.0000000), wk = 0.0026738 k( 217) = ( -0.4849987 0.5150013 -0.0000000), wk = 0.0026738 k( 218) = ( -0.4774980 0.5225020 -0.0000000), wk = 0.0026738 k( 219) = ( -0.4699974 0.5300026 -0.0000000), wk = 0.0026738 k( 220) = ( -0.4624967 0.5375033 -0.0000000), wk = 0.0026738 k( 221) = ( -0.4549960 0.5450040 -0.0000000), wk = 0.0026738 k( 222) = ( -0.4474954 0.5525046 -0.0000000), wk = 0.0026738 k( 223) = ( -0.4399947 0.5600053 -0.0000000), wk = 0.0026738 k( 224) = ( -0.4324941 0.5675059 0.0000000), wk = 0.0026738 k( 225) = ( -0.4249934 0.5750066 -0.0000000), wk = 0.0026738 k( 226) = ( -0.4174927 0.5825073 0.0000000), wk = 0.0026738 k( 227) = ( -0.4099921 0.5900079 -0.0000000), wk = 0.0026738 k( 228) = ( -0.4024914 0.5975086 0.0000000), wk = 0.0026738 k( 229) = ( -0.3949908 0.6050092 -0.0000000), wk = 0.0026738 k( 230) = ( -0.3874901 0.6125099 0.0000000), wk = 0.0026738 k( 231) = ( -0.3799895 0.6200106 0.0000000), wk = 0.0026738 k( 232) = ( -0.3724888 0.6275112 -0.0000000), wk = 0.0026738 k( 233) = ( -0.3649881 0.6350119 0.0000000), wk = 0.0026738 k( 234) = ( -0.3574875 0.6425125 0.0000000), wk = 0.0026738 k( 235) = ( -0.3499868 0.6500132 -0.0000000), wk = 0.0026738 k( 236) = ( -0.3424861 0.6575138 -0.0000000), wk = 0.0026738 k( 237) = ( -0.3349855 0.6650145 -0.0000000), wk = 0.0026738 k( 238) = ( -0.3274848 0.6725152 0.0000000), wk = 0.0026738 k( 239) = ( -0.3199842 0.6800158 0.0000000), wk = 0.0026738 k( 240) = ( -0.3124835 0.6875165 0.0000000), wk = 0.0026738 k( 241) = ( -0.3049829 0.6950171 -0.0000000), wk = 0.0026738 k( 242) = ( -0.2974822 0.7025178 0.0000000), wk = 0.0026738 k( 243) = ( -0.2899815 0.7100185 -0.0000000), wk = 0.0026738 k( 244) = ( -0.2899815 0.7100185 -0.0000000), wk = 0.0026738 k( 245) = ( -0.2899815 0.7100185 0.0138889), wk = 0.0026738 k( 246) = ( -0.2899815 0.7100185 0.0277778), wk = 0.0026738 k( 247) = ( -0.2899815 0.7100185 0.0416667), wk = 0.0026738 k( 248) = ( -0.2899815 0.7100185 0.0555556), wk = 0.0026738 k( 249) = ( -0.2899815 0.7100185 0.0694444), wk = 0.0026738 k( 250) = ( -0.2899815 0.7100185 0.0833333), wk = 0.0026738 k( 251) = ( -0.2899815 0.7100185 0.0972222), wk = 0.0026738 k( 252) = ( -0.2899815 0.7100185 0.1111111), wk = 0.0026738 k( 253) = ( -0.2899815 0.7100185 0.1250000), wk = 0.0026738 k( 254) = ( -0.2899815 0.7100185 0.1388889), wk = 0.0026738 k( 255) = ( -0.2899815 0.7100185 0.1527778), wk = 0.0026738 k( 256) = ( -0.2899815 0.7100185 0.1666667), wk = 0.0026738 k( 257) = ( -0.2899815 0.7100185 0.1805556), wk = 0.0026738 k( 258) = ( -0.2899815 0.7100185 0.1944444), wk = 0.0026738 k( 259) = ( -0.2899815 0.7100185 0.2083333), wk = 0.0026738 k( 260) = ( -0.2899815 0.7100185 0.2222222), wk = 0.0026738 k( 261) = ( -0.2899815 0.7100185 0.2361111), wk = 0.0026738 k( 262) = ( -0.2899815 0.7100185 0.2500000), wk = 0.0026738 k( 263) = ( -0.2899815 0.7100185 0.2638889), wk = 0.0026738 k( 264) = ( -0.2899815 0.7100185 0.2777778), wk = 0.0026738 k( 265) = ( -0.2899815 0.7100185 0.2916667), wk = 0.0026738 k( 266) = ( -0.2899815 0.7100185 0.3055556), wk = 0.0026738 k( 267) = ( -0.2899815 0.7100185 0.3194444), wk = 0.0026738 k( 268) = ( -0.2899815 0.7100185 0.3333333), wk = 0.0026738 k( 269) = ( -0.2899815 0.7100185 0.3472222), wk = 0.0026738 k( 270) = ( -0.2899815 0.7100185 0.3611111), wk = 0.0026738 k( 271) = ( -0.2899815 0.7100185 0.3750000), wk = 0.0026738 k( 272) = ( -0.2899815 0.7100185 0.3888889), wk = 0.0026738 k( 273) = ( -0.2899815 0.7100185 0.4027778), wk = 0.0026738 k( 274) = ( -0.2899815 0.7100185 0.4166667), wk = 0.0026738 k( 275) = ( -0.2899815 0.7100185 0.4305556), wk = 0.0026738 k( 276) = ( -0.2899815 0.7100185 0.4444444), wk = 0.0026738 k( 277) = ( -0.2899815 0.7100185 0.4583333), wk = 0.0026738 k( 278) = ( -0.2899815 0.7100185 0.4722222), wk = 0.0026738 k( 279) = ( -0.2899815 0.7100185 0.4861111), wk = 0.0026738 k( 280) = ( -0.2899815 0.7100185 0.5000000), wk = 0.0026738 k( 281) = ( -0.2899815 0.7100185 0.5000000), wk = 0.0026738 k( 282) = ( -0.2974822 0.7025178 0.5000000), wk = 0.0026738 k( 283) = ( -0.3049829 0.6950171 0.5000000), wk = 0.0026738 k( 284) = ( -0.3124835 0.6875165 0.5000000), wk = 0.0026738 k( 285) = ( -0.3199842 0.6800158 0.5000000), wk = 0.0026738 k( 286) = ( -0.3274848 0.6725152 0.5000000), wk = 0.0026738 k( 287) = ( -0.3349855 0.6650145 0.5000000), wk = 0.0026738 k( 288) = ( -0.3424861 0.6575138 0.5000000), wk = 0.0026738 k( 289) = ( -0.3499868 0.6500132 0.5000000), wk = 0.0026738 k( 290) = ( -0.3574875 0.6425125 0.5000000), wk = 0.0026738 k( 291) = ( -0.3649881 0.6350119 0.5000000), wk = 0.0026738 k( 292) = ( -0.3724888 0.6275112 0.5000000), wk = 0.0026738 k( 293) = ( -0.3799895 0.6200106 0.5000000), wk = 0.0026738 k( 294) = ( -0.3874901 0.6125099 0.5000000), wk = 0.0026738 k( 295) = ( -0.3949908 0.6050092 0.5000000), wk = 0.0026738 k( 296) = ( -0.4024914 0.5975086 0.5000000), wk = 0.0026738 k( 297) = ( -0.4099921 0.5900079 0.5000000), wk = 0.0026738 k( 298) = ( -0.4174927 0.5825073 0.5000000), wk = 0.0026738 k( 299) = ( -0.4249934 0.5750066 0.5000000), wk = 0.0026738 k( 300) = ( -0.4324941 0.5675059 0.5000000), wk = 0.0026738 k( 301) = ( -0.4399947 0.5600053 0.5000000), wk = 0.0026738 k( 302) = ( -0.4474954 0.5525046 0.5000000), wk = 0.0026738 k( 303) = ( -0.4549960 0.5450040 0.5000000), wk = 0.0026738 k( 304) = ( -0.4624967 0.5375033 0.5000000), wk = 0.0026738 k( 305) = ( -0.4699974 0.5300026 0.5000000), wk = 0.0026738 k( 306) = ( -0.4774980 0.5225020 0.5000000), wk = 0.0026738 k( 307) = ( -0.4849987 0.5150013 0.5000000), wk = 0.0026738 k( 308) = ( -0.4924993 0.5075007 0.5000000), wk = 0.0026738 k( 309) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 310) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 311) = ( -0.5000000 0.5000000 0.4861111), wk = 0.0026738 k( 312) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0026738 k( 313) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0026738 k( 314) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0026738 k( 315) = ( -0.5000000 0.5000000 0.4305556), wk = 0.0026738 k( 316) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0026738 k( 317) = ( -0.5000000 0.5000000 0.4027778), wk = 0.0026738 k( 318) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0026738 k( 319) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0026738 k( 320) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0026738 k( 321) = ( -0.5000000 0.5000000 0.3472222), wk = 0.0026738 k( 322) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026738 k( 323) = ( -0.5000000 0.5000000 0.3194444), wk = 0.0026738 k( 324) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0026738 k( 325) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0026738 k( 326) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0026738 k( 327) = ( -0.5000000 0.5000000 0.2638889), wk = 0.0026738 k( 328) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0026738 k( 329) = ( -0.5000000 0.5000000 0.2361111), wk = 0.0026738 k( 330) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0026738 k( 331) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0026738 k( 332) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0026738 k( 333) = ( -0.5000000 0.5000000 0.1805556), wk = 0.0026738 k( 334) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026738 k( 335) = ( -0.5000000 0.5000000 0.1527778), wk = 0.0026738 k( 336) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0026738 k( 337) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0026738 k( 338) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0026738 k( 339) = ( -0.5000000 0.5000000 0.0972222), wk = 0.0026738 k( 340) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0026738 k( 341) = ( -0.5000000 0.5000000 0.0694444), wk = 0.0026738 k( 342) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0026738 k( 343) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0026738 k( 344) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0026738 k( 345) = ( -0.5000000 0.5000000 0.0138889), wk = 0.0026738 k( 346) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026738 k( 347) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 348) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0026738 k( 349) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0026738 k( 350) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0026738 k( 351) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0026738 k( 352) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0026738 k( 353) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0026738 k( 354) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0026738 k( 355) = ( -0.1481482 0.1481482 0.5000000), wk = 0.0026738 k( 356) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026738 k( 357) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0026738 k( 358) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0026738 k( 359) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0026738 k( 360) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0026738 k( 361) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0026738 k( 362) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0026738 k( 363) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0026738 k( 364) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0026738 k( 365) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 366) = ( -0.3518519 0.3518519 0.5000000), wk = 0.0026738 k( 367) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0026738 k( 368) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0026738 k( 369) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0026738 k( 370) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0026738 k( 371) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0026738 k( 372) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0026738 k( 373) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0026738 k( 374) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 Dense grid: 56243 G-vectors FFT dimensions: ( 64, 64, 45) Smooth grid: 40327 G-vectors FFT dimensions: ( 60, 60, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 214, 42) NL pseudopotentials 0.21 Mb ( 107, 128) Each V/rho on FFT grid 0.06 Mb ( 4096) Each G-vector array 0.01 Mb ( 1172) G-vector shells 0.00 Mb ( 607) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 214, 168) Each subspace H/S matrix 0.43 Mb ( 168, 168) Each matrix 0.16 Mb ( 128, 2, 42) The potential is recalculated from file : ./LaSn.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.8 secs Computing kpt #: 2 total cpu time spent up to now is 49.2 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.8 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.4 secs Computing kpt #: 5 total cpu time spent up to now is 58.7 secs Computing kpt #: 6 total cpu time spent up to now is 60.9 secs Computing kpt #: 7 total cpu time spent up to now is 63.0 secs Computing kpt #: 8 total cpu time spent up to now is 65.2 secs Computing kpt #: 9 total cpu time spent up to now is 67.3 secs Computing kpt #: 10 total cpu time spent up to now is 69.4 secs Computing kpt #: 11 total cpu time spent up to now is 71.4 secs Computing kpt #: 12 total cpu time spent up to now is 73.6 secs Computing kpt #: 13 total cpu time spent up to now is 75.8 secs Computing kpt #: 14 total cpu time spent up to now is 78.0 secs Computing kpt #: 15 total cpu time spent up to now is 80.1 secs Computing kpt #: 16 total cpu time spent up to now is 82.2 secs Computing kpt #: 17 total cpu time spent up to now is 84.3 secs Computing kpt #: 18 total cpu time spent up to now is 86.5 secs Computing kpt #: 19 total cpu time spent up to now is 88.6 secs Computing kpt #: 20 total cpu time spent up to now is 91.1 secs Computing kpt #: 21 total cpu time spent up to now is 93.3 secs Computing kpt #: 22 total cpu time spent up to now is 95.5 secs Computing kpt #: 23 total cpu time spent up to now is 97.7 secs Computing kpt #: 24 total cpu time spent up to now is 99.8 secs Computing kpt #: 25 total cpu time spent up to now is 102.0 secs Computing kpt #: 26 total cpu time spent up to now is 104.2 secs Computing kpt #: 27 total cpu time spent up to now is 106.4 secs Computing kpt #: 28 total cpu time spent up to now is 108.8 secs Computing kpt #: 29 total cpu time spent up to now is 110.9 secs Computing kpt #: 30 total cpu time spent up to now is 112.8 secs Computing kpt #: 31 total cpu time spent up to now is 114.6 secs Computing kpt #: 32 total cpu time spent up to now is 116.6 secs Computing kpt #: 33 total cpu time spent up to now is 118.4 secs Computing kpt #: 34 total cpu time spent up to now is 120.5 secs Computing kpt #: 35 total cpu time spent up to now is 122.7 secs Computing kpt #: 36 total cpu time spent up to now is 124.7 secs Computing kpt #: 37 total cpu time spent up to now is 127.5 secs Computing kpt #: 38 total cpu time spent up to now is 129.9 secs Computing kpt #: 39 total cpu time spent up to now is 132.3 secs Computing kpt #: 40 total cpu time spent up to now is 134.5 secs Computing kpt #: 41 total cpu time spent up to now is 136.9 secs Computing kpt #: 42 total cpu time spent up to now is 139.0 secs Computing kpt #: 43 total cpu time spent up to now is 141.2 secs Computing kpt #: 44 total cpu time spent up to now is 143.2 secs Computing kpt #: 45 total cpu time spent up to now is 145.3 secs Computing kpt #: 46 total cpu time spent up to now is 147.4 secs Computing kpt #: 47 total cpu time spent up to now is 149.5 secs Computing kpt #: 48 total cpu time spent up to now is 151.5 secs Computing kpt #: 49 total cpu time spent up to now is 153.7 secs Computing kpt #: 50 total cpu time spent up to now is 155.7 secs Computing kpt #: 51 total cpu time spent up to now is 157.9 secs Computing kpt #: 52 total cpu time spent up to now is 159.9 secs Computing kpt #: 53 total cpu time spent up to now is 162.0 secs Computing kpt #: 54 total cpu time spent up to now is 164.1 secs Computing kpt #: 55 total cpu time spent up to now is 166.1 secs Computing kpt #: 56 total cpu time spent up to now is 168.4 secs Computing kpt #: 57 total cpu time spent up to now is 170.5 secs Computing kpt #: 58 total cpu time spent up to now is 172.7 secs Computing kpt #: 59 total cpu time spent up to now is 174.8 secs Computing kpt #: 60 total cpu time spent up to now is 176.9 secs Computing kpt #: 61 total cpu time spent up to now is 178.9 secs Computing kpt #: 62 total cpu time spent up to now is 181.0 secs Computing kpt #: 63 total cpu time spent up to now is 183.1 secs Computing kpt #: 64 total cpu time spent up to now is 185.1 secs Computing kpt #: 65 total cpu time spent up to now is 187.3 secs Computing kpt #: 66 total cpu time spent up to now is 189.8 secs Computing kpt #: 67 total cpu time spent up to now is 192.1 secs Computing kpt #: 68 total cpu time spent up to now is 194.8 secs Computing kpt #: 69 total cpu time spent up to now is 198.5 secs Computing kpt #: 70 total cpu time spent up to now is 201.1 secs Computing kpt #: 71 total cpu time spent up to now is 203.3 secs Computing kpt #: 72 total cpu time spent up to now is 205.7 secs Computing kpt #: 73 total cpu time spent up to now is 208.2 secs Computing kpt #: 74 total cpu time spent up to now is 210.6 secs Computing kpt #: 75 total cpu time spent up to now is 213.0 secs Computing kpt #: 76 total cpu time spent up to now is 215.1 secs Computing kpt #: 77 total cpu time spent up to now is 219.3 secs Computing kpt #: 78 total cpu time spent up to now is 221.4 secs Computing kpt #: 79 total cpu time spent up to now is 223.4 secs Computing kpt #: 80 total cpu time spent up to now is 225.6 secs Computing kpt #: 81 total cpu time spent up to now is 227.6 secs Computing kpt #: 82 total cpu time spent up to now is 229.8 secs Computing kpt #: 83 total cpu time spent up to now is 231.8 secs Computing kpt #: 84 total cpu time spent up to now is 234.2 secs Computing kpt #: 85 total cpu time spent up to now is 238.1 secs Computing kpt #: 86 total cpu time spent up to now is 240.0 secs Computing kpt #: 87 total cpu time spent up to now is 242.6 secs Computing kpt #: 88 total cpu time spent up to now is 244.7 secs Computing kpt #: 89 total cpu time spent up to now is 246.9 secs Computing kpt #: 90 total cpu time spent up to now is 249.4 secs Computing kpt #: 91 total cpu time spent up to now is 252.0 secs Computing kpt #: 92 total cpu time spent up to now is 254.8 secs Computing kpt #: 93 total cpu time spent up to now is 257.7 secs Computing kpt #: 94 total cpu time spent up to now is 261.2 secs Computing kpt #: 95 total cpu time spent up to now is 264.4 secs Computing kpt #: 96 total cpu time spent up to now is 267.2 secs Computing kpt #: 97 total cpu time spent up to now is 269.9 secs Computing kpt #: 98 total cpu time spent up to now is 272.8 secs Computing kpt #: 99 total cpu time spent up to now is 276.7 secs Computing kpt #: 100 total cpu time spent up to now is 279.5 secs Computing kpt #: 101 total cpu time spent up to now is 281.7 secs Computing kpt #: 102 total cpu time spent up to now is 283.9 secs Computing kpt #: 103 total cpu time spent up to now is 286.1 secs Computing kpt #: 104 total cpu time spent up to now is 288.5 secs Computing kpt #: 105 total cpu time spent up to now is 291.3 secs Computing kpt #: 106 total cpu time spent up to now is 295.8 secs Computing kpt #: 107 total cpu time spent up to now is 298.5 secs Computing kpt #: 108 total cpu time spent up to now is 301.0 secs Computing kpt #: 109 total cpu time spent up to now is 303.7 secs Computing kpt #: 110 total cpu time spent up to now is 306.4 secs Computing kpt #: 111 total cpu time spent up to now is 308.9 secs Computing kpt #: 112 total cpu time spent up to now is 314.8 secs Computing kpt #: 113 total cpu time spent up to now is 317.0 secs Computing kpt #: 114 total cpu time spent up to now is 319.3 secs Computing kpt #: 115 total cpu time spent up to now is 321.5 secs Computing kpt #: 116 total cpu time spent up to now is 324.0 secs Computing kpt #: 117 total cpu time spent up to now is 326.2 secs Computing kpt #: 118 total cpu time spent up to now is 331.0 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 335.1 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 338.5 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 342.0 secs Computing kpt #: 122 total cpu time spent up to now is 344.3 secs Computing kpt #: 123 total cpu time spent up to now is 347.2 secs Computing kpt #: 124 total cpu time spent up to now is 351.8 secs Computing kpt #: 125 total cpu time spent up to now is 354.0 secs Computing kpt #: 126 total cpu time spent up to now is 356.3 secs Computing kpt #: 127 total cpu time spent up to now is 358.9 secs Computing kpt #: 128 total cpu time spent up to now is 361.0 secs Computing kpt #: 129 total cpu time spent up to now is 363.8 secs Computing kpt #: 130 total cpu time spent up to now is 368.1 secs Computing kpt #: 131 total cpu time spent up to now is 370.6 secs Computing kpt #: 132 total cpu time spent up to now is 373.0 secs Computing kpt #: 133 total cpu time spent up to now is 375.9 secs Computing kpt #: 134 total cpu time spent up to now is 381.7 secs Computing kpt #: 135 total cpu time spent up to now is 384.7 secs Computing kpt #: 136 total cpu time spent up to now is 387.9 secs Computing kpt #: 137 total cpu time spent up to now is 391.4 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 394.8 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 400.8 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 404.4 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 408.1 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 411.8 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 418.0 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 422.5 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 426.2 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 429.7 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 433.1 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 436.9 secs Computing kpt #: 149 total cpu time spent up to now is 441.4 secs Computing kpt #: 150 total cpu time spent up to now is 443.8 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 447.2 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 450.5 secs Computing kpt #: 153 total cpu time spent up to now is 454.8 secs Computing kpt #: 154 total cpu time spent up to now is 459.1 secs Computing kpt #: 155 total cpu time spent up to now is 462.0 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 465.4 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 468.8 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 475.7 secs Computing kpt #: 159 total cpu time spent up to now is 478.9 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 482.3 secs Computing kpt #: 161 total cpu time spent up to now is 485.3 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 489.0 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 494.4 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 497.8 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.2 secs Computing kpt #: 166 total cpu time spent up to now is 504.5 secs Computing kpt #: 167 total cpu time spent up to now is 510.3 secs Computing kpt #: 168 total cpu time spent up to now is 513.1 secs Computing kpt #: 169 total cpu time spent up to now is 515.9 secs Computing kpt #: 170 total cpu time spent up to now is 518.4 secs Computing kpt #: 171 total cpu time spent up to now is 520.8 secs Computing kpt #: 172 total cpu time spent up to now is 525.0 secs Computing kpt #: 173 total cpu time spent up to now is 527.1 secs Computing kpt #: 174 total cpu time spent up to now is 529.5 secs Computing kpt #: 175 total cpu time spent up to now is 531.6 secs Computing kpt #: 176 total cpu time spent up to now is 533.7 secs Computing kpt #: 177 total cpu time spent up to now is 535.8 secs Computing kpt #: 178 total cpu time spent up to now is 540.8 secs Computing kpt #: 179 total cpu time spent up to now is 543.0 secs Computing kpt #: 180 total cpu time spent up to now is 545.1 secs Computing kpt #: 181 total cpu time spent up to now is 548.1 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 551.5 secs Computing kpt #: 183 total cpu time spent up to now is 556.2 secs Computing kpt #: 184 total cpu time spent up to now is 561.7 secs Computing kpt #: 185 total cpu time spent up to now is 565.1 secs Computing kpt #: 186 total cpu time spent up to now is 567.9 secs Computing kpt #: 187 total cpu time spent up to now is 570.9 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 574.3 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 581.1 secs Computing kpt #: 190 total cpu time spent up to now is 584.4 secs Computing kpt #: 191 total cpu time spent up to now is 586.6 secs Computing kpt #: 192 total cpu time spent up to now is 588.6 secs Computing kpt #: 193 total cpu time spent up to now is 590.5 secs Computing kpt #: 194 total cpu time spent up to now is 592.9 secs Computing kpt #: 195 total cpu time spent up to now is 595.0 secs Computing kpt #: 196 total cpu time spent up to now is 596.9 secs Computing kpt #: 197 total cpu time spent up to now is 598.7 secs Computing kpt #: 198 total cpu time spent up to now is 601.5 secs Computing kpt #: 199 total cpu time spent up to now is 604.8 secs Computing kpt #: 200 total cpu time spent up to now is 606.4 secs Computing kpt #: 201 total cpu time spent up to now is 608.1 secs Computing kpt #: 202 total cpu time spent up to now is 610.3 secs Computing kpt #: 203 total cpu time spent up to now is 612.1 secs Computing kpt #: 204 total cpu time spent up to now is 613.8 secs Computing kpt #: 205 total cpu time spent up to now is 615.6 secs Computing kpt #: 206 total cpu time spent up to now is 617.7 secs Computing kpt #: 207 total cpu time spent up to now is 619.8 secs Computing kpt #: 208 total cpu time spent up to now is 622.0 secs Computing kpt #: 209 total cpu time spent up to now is 623.9 secs Computing kpt #: 210 total cpu time spent up to now is 625.8 secs Computing kpt #: 211 total cpu time spent up to now is 628.1 secs Computing kpt #: 212 total cpu time spent up to now is 630.9 secs Computing kpt #: 213 total cpu time spent up to now is 633.0 secs Computing kpt #: 214 total cpu time spent up to now is 635.0 secs Computing kpt #: 215 total cpu time spent up to now is 637.5 secs Computing kpt #: 216 total cpu time spent up to now is 639.6 secs Computing kpt #: 217 total cpu time spent up to now is 641.9 secs Computing kpt #: 218 total cpu time spent up to now is 644.0 secs Computing kpt #: 219 total cpu time spent up to now is 646.2 secs Computing kpt #: 220 total cpu time spent up to now is 648.4 secs Computing kpt #: 221 total cpu time spent up to now is 650.3 secs Computing kpt #: 222 total cpu time spent up to now is 652.2 secs Computing kpt #: 223 total cpu time spent up to now is 654.4 secs Computing kpt #: 224 total cpu time spent up to now is 656.4 secs Computing kpt #: 225 total cpu time spent up to now is 658.6 secs Computing kpt #: 226 total cpu time spent up to now is 660.7 secs Computing kpt #: 227 total cpu time spent up to now is 662.8 secs Computing kpt #: 228 total cpu time spent up to now is 665.2 secs Computing kpt #: 229 total cpu time spent up to now is 667.4 secs Computing kpt #: 230 total cpu time spent up to now is 669.8 secs Computing kpt #: 231 total cpu time spent up to now is 672.1 secs Computing kpt #: 232 total cpu time spent up to now is 674.6 secs Computing kpt #: 233 total cpu time spent up to now is 677.6 secs Computing kpt #: 234 total cpu time spent up to now is 680.9 secs Computing kpt #: 235 total cpu time spent up to now is 683.5 secs Computing kpt #: 236 total cpu time spent up to now is 686.1 secs Computing kpt #: 237 total cpu time spent up to now is 688.8 secs Computing kpt #: 238 total cpu time spent up to now is 691.4 secs Computing kpt #: 239 total cpu time spent up to now is 693.8 secs Computing kpt #: 240 total cpu time spent up to now is 696.3 secs Computing kpt #: 241 total cpu time spent up to now is 699.1 secs Computing kpt #: 242 total cpu time spent up to now is 701.4 secs Computing kpt #: 243 total cpu time spent up to now is 703.6 secs Computing kpt #: 244 total cpu time spent up to now is 706.0 secs Computing kpt #: 245 total cpu time spent up to now is 708.3 secs Computing kpt #: 246 total cpu time spent up to now is 710.9 secs Computing kpt #: 247 total cpu time spent up to now is 713.5 secs Computing kpt #: 248 total cpu time spent up to now is 715.9 secs Computing kpt #: 249 total cpu time spent up to now is 718.3 secs Computing kpt #: 250 total cpu time spent up to now is 720.7 secs Computing kpt #: 251 total cpu time spent up to now is 722.9 secs Computing kpt #: 252 total cpu time spent up to now is 725.0 secs Computing kpt #: 253 total cpu time spent up to now is 727.1 secs Computing kpt #: 254 total cpu time spent up to now is 729.2 secs Computing kpt #: 255 total cpu time spent up to now is 731.2 secs Computing kpt #: 256 total cpu time spent up to now is 733.5 secs Computing kpt #: 257 total cpu time spent up to now is 735.3 secs Computing kpt #: 258 total cpu time spent up to now is 737.2 secs Computing kpt #: 259 total cpu time spent up to now is 739.0 secs Computing kpt #: 260 total cpu time spent up to now is 741.0 secs Computing kpt #: 261 total cpu time spent up to now is 742.9 secs Computing kpt #: 262 total cpu time spent up to now is 744.7 secs Computing kpt #: 263 total cpu time spent up to now is 746.9 secs Computing kpt #: 264 total cpu time spent up to now is 748.9 secs Computing kpt #: 265 total cpu time spent up to now is 751.0 secs Computing kpt #: 266 total cpu time spent up to now is 753.5 secs Computing kpt #: 267 total cpu time spent up to now is 756.6 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 760.0 secs Computing kpt #: 269 total cpu time spent up to now is 762.7 secs Computing kpt #: 270 total cpu time spent up to now is 765.1 secs Computing kpt #: 271 total cpu time spent up to now is 767.4 secs Computing kpt #: 272 total cpu time spent up to now is 769.6 secs Computing kpt #: 273 total cpu time spent up to now is 771.9 secs Computing kpt #: 274 total cpu time spent up to now is 774.3 secs Computing kpt #: 275 total cpu time spent up to now is 776.8 secs Computing kpt #: 276 total cpu time spent up to now is 779.4 secs Computing kpt #: 277 total cpu time spent up to now is 782.9 secs Computing kpt #: 278 total cpu time spent up to now is 785.7 secs Computing kpt #: 279 total cpu time spent up to now is 788.7 secs Computing kpt #: 280 total cpu time spent up to now is 791.5 secs Computing kpt #: 281 total cpu time spent up to now is 794.0 secs Computing kpt #: 282 total cpu time spent up to now is 796.8 secs Computing kpt #: 283 total cpu time spent up to now is 799.6 secs Computing kpt #: 284 total cpu time spent up to now is 802.7 secs Computing kpt #: 285 total cpu time spent up to now is 805.6 secs Computing kpt #: 286 total cpu time spent up to now is 808.4 secs Computing kpt #: 287 total cpu time spent up to now is 811.3 secs Computing kpt #: 288 total cpu time spent up to now is 814.1 secs Computing kpt #: 289 total cpu time spent up to now is 816.9 secs Computing kpt #: 290 total cpu time spent up to now is 819.9 secs Computing kpt #: 291 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 823.2 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 826.6 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 830.0 secs Computing kpt #: 294 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 833.2 secs Computing kpt #: 295 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 836.4 secs Computing kpt #: 296 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 839.6 secs Computing kpt #: 297 total cpu time spent up to now is 842.3 secs Computing kpt #: 298 total cpu time spent up to now is 845.0 secs Computing kpt #: 299 total cpu time spent up to now is 847.8 secs Computing kpt #: 300 total cpu time spent up to now is 850.1 secs Computing kpt #: 301 total cpu time spent up to now is 852.4 secs Computing kpt #: 302 total cpu time spent up to now is 855.0 secs Computing kpt #: 303 total cpu time spent up to now is 857.6 secs Computing kpt #: 304 total cpu time spent up to now is 860.1 secs Computing kpt #: 305 total cpu time spent up to now is 862.2 secs Computing kpt #: 306 total cpu time spent up to now is 864.2 secs Computing kpt #: 307 total cpu time spent up to now is 866.5 secs Computing kpt #: 308 total cpu time spent up to now is 869.2 secs Computing kpt #: 309 total cpu time spent up to now is 870.8 secs Computing kpt #: 310 total cpu time spent up to now is 872.5 secs Computing kpt #: 311 total cpu time spent up to now is 874.5 secs Computing kpt #: 312 total cpu time spent up to now is 876.5 secs Computing kpt #: 313 total cpu time spent up to now is 878.7 secs Computing kpt #: 314 total cpu time spent up to now is 880.5 secs Computing kpt #: 315 total cpu time spent up to now is 882.2 secs Computing kpt #: 316 total cpu time spent up to now is 884.0 secs Computing kpt #: 317 total cpu time spent up to now is 885.9 secs Computing kpt #: 318 total cpu time spent up to now is 887.8 secs Computing kpt #: 319 total cpu time spent up to now is 890.0 secs Computing kpt #: 320 total cpu time spent up to now is 892.3 secs Computing kpt #: 321 total cpu time spent up to now is 895.3 secs Computing kpt #: 322 total cpu time spent up to now is 897.2 secs Computing kpt #: 323 total cpu time spent up to now is 899.4 secs Computing kpt #: 324 total cpu time spent up to now is 901.1 secs Computing kpt #: 325 total cpu time spent up to now is 903.0 secs Computing kpt #: 326 total cpu time spent up to now is 905.9 secs Computing kpt #: 327 total cpu time spent up to now is 907.4 secs Computing kpt #: 328 total cpu time spent up to now is 909.0 secs Computing kpt #: 329 total cpu time spent up to now is 910.7 secs Computing kpt #: 330 total cpu time spent up to now is 912.4 secs Computing kpt #: 331 total cpu time spent up to now is 914.0 secs Computing kpt #: 332 total cpu time spent up to now is 915.5 secs Computing kpt #: 333 total cpu time spent up to now is 917.0 secs Computing kpt #: 334 total cpu time spent up to now is 918.7 secs Computing kpt #: 335 total cpu time spent up to now is 920.2 secs Computing kpt #: 336 total cpu time spent up to now is 921.8 secs Computing kpt #: 337 total cpu time spent up to now is 923.4 secs Computing kpt #: 338 total cpu time spent up to now is 925.1 secs Computing kpt #: 339 total cpu time spent up to now is 926.8 secs Computing kpt #: 340 total cpu time spent up to now is 928.7 secs Computing kpt #: 341 total cpu time spent up to now is 930.5 secs Computing kpt #: 342 total cpu time spent up to now is 932.8 secs Computing kpt #: 343 total cpu time spent up to now is 934.7 secs Computing kpt #: 344 total cpu time spent up to now is 936.6 secs Computing kpt #: 345 total cpu time spent up to now is 938.6 secs Computing kpt #: 346 total cpu time spent up to now is 940.7 secs Computing kpt #: 347 total cpu time spent up to now is 942.7 secs Computing kpt #: 348 total cpu time spent up to now is 944.8 secs Computing kpt #: 349 total cpu time spent up to now is 946.8 secs Computing kpt #: 350 total cpu time spent up to now is 948.9 secs Computing kpt #: 351 total cpu time spent up to now is 951.1 secs Computing kpt #: 352 total cpu time spent up to now is 953.8 secs Computing kpt #: 353 total cpu time spent up to now is 956.3 secs Computing kpt #: 354 total cpu time spent up to now is 958.3 secs Computing kpt #: 355 total cpu time spent up to now is 960.3 secs Computing kpt #: 356 total cpu time spent up to now is 962.5 secs Computing kpt #: 357 total cpu time spent up to now is 964.6 secs Computing kpt #: 358 total cpu time spent up to now is 966.8 secs Computing kpt #: 359 total cpu time spent up to now is 969.2 secs Computing kpt #: 360 total cpu time spent up to now is 971.6 secs Computing kpt #: 361 total cpu time spent up to now is 973.8 secs Computing kpt #: 362 total cpu time spent up to now is 975.8 secs Computing kpt #: 363 total cpu time spent up to now is 977.8 secs Computing kpt #: 364 total cpu time spent up to now is 979.8 secs Computing kpt #: 365 total cpu time spent up to now is 981.5 secs Computing kpt #: 366 total cpu time spent up to now is 983.3 secs Computing kpt #: 367 total cpu time spent up to now is 985.0 secs Computing kpt #: 368 total cpu time spent up to now is 986.7 secs Computing kpt #: 369 total cpu time spent up to now is 988.4 secs Computing kpt #: 370 total cpu time spent up to now is 990.1 secs Computing kpt #: 371 total cpu time spent up to now is 991.7 secs Computing kpt #: 372 total cpu time spent up to now is 993.4 secs Computing kpt #: 373 total cpu time spent up to now is 995.0 secs Computing kpt #: 374 total cpu time spent up to now is 996.6 secs ethr = 2.94E-11, avg # of iterations = 61.0 total cpu time spent up to now is 996.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5041 PWs) bands (ev): -13.9846 -13.9846 -13.9337 -13.9337 -13.9095 -13.9095 -13.9063 -13.9063 -12.9763 -12.9763 -12.9526 -12.9526 -12.8943 -12.8943 -12.8465 -12.8465 -12.8416 -12.8416 -12.8232 -12.8232 -1.4820 -1.4820 1.6626 1.6626 5.6872 5.6872 6.1728 6.1728 6.8094 6.8094 6.8749 6.8749 8.0743 8.0743 8.3366 8.3366 8.7684 8.7684 9.7037 9.7037 10.0416 10.0416 k = 0.0074 0.0186-0.0000 ( 5039 PWs) bands (ev): -13.9846 -13.9846 -13.9337 -13.9337 -13.9095 -13.9095 -13.9063 -13.9063 -12.9763 -12.9763 -12.9526 -12.9526 -12.8943 -12.8943 -12.8464 -12.8464 -12.8416 -12.8416 -12.8232 -12.8232 -1.4809 -1.4809 1.6639 1.6639 5.6700 5.6700 6.1880 6.1880 6.8088 6.8088 6.8733 6.8733 8.0770 8.0770 8.3322 8.3322 8.7619 8.7619 9.6828 9.6828 10.0542 10.0542 k = 0.0149 0.0372-0.0000 ( 5039 PWs) bands (ev): -13.9846 -13.9846 -13.9337 -13.9337 -13.9095 -13.9095 -13.9063 -13.9063 -12.9763 -12.9763 -12.9525 -12.9525 -12.8942 -12.8942 -12.8464 -12.8464 -12.8416 -12.8416 -12.8232 -12.8232 -1.4776 -1.4776 1.6680 1.6680 5.6238 5.6238 6.2281 6.2281 6.8069 6.8069 6.8686 6.8686 8.0851 8.0851 8.3193 8.3193 8.7432 8.7432 9.6268 9.6268 10.0907 10.0907 k = 0.0223 0.0558-0.0000 ( 5039 PWs) bands (ev): -13.9846 -13.9846 -13.9337 -13.9337 -13.9095 -13.9095 -13.9062 -13.9062 -12.9763 -12.9763 -12.9525 -12.9525 -12.8941 -12.8941 -12.8464 -12.8464 -12.8416 -12.8416 -12.8232 -12.8232 -1.4721 -1.4721 1.6747 1.6747 5.5590 5.5590 6.2826 6.2826 6.8027 6.8027 6.8615 6.8615 8.0986 8.0986 8.2988 8.2988 8.7149 8.7149 9.5487 9.5487 10.1147 10.1147 k = 0.0297 0.0744-0.0000 ( 5055 PWs) bands (ev): -13.9846 -13.9846 -13.9337 -13.9337 -13.9095 -13.9095 -13.9061 -13.9061 -12.9763 -12.9763 -12.9525 -12.9525 -12.8941 -12.8941 -12.8463 -12.8463 -12.8416 -12.8416 -12.8232 -12.8232 -1.4645 -1.4645 1.6840 1.6840 5.4837 5.4837 6.3429 6.3429 6.7950 6.7950 6.8530 6.8530 8.1176 8.1176 8.2720 8.2720 8.6802 8.6802 9.4587 9.4587 10.0997 10.0997 k = 0.0372 0.0930-0.0000 ( 5053 PWs) bands (ev): -13.9846 -13.9846 -13.9336 -13.9336 -13.9095 -13.9095 -13.9060 -13.9060 -12.9763 -12.9763 -12.9524 -12.9524 -12.8940 -12.8940 -12.8462 -12.8462 -12.8415 -12.8415 -12.8232 -12.8232 -1.4548 -1.4548 1.6960 1.6960 5.4025 5.4025 6.4039 6.4039 6.7825 6.7825 6.8439 6.8439 8.1420 8.1420 8.2409 8.2409 8.6423 8.6423 9.3629 9.3629 10.0807 10.0807 k = 0.0446 0.1116-0.0000 ( 5053 PWs) bands (ev): -13.9845 -13.9845 -13.9335 -13.9335 -13.9094 -13.9094 -13.9059 -13.9059 -12.9763 -12.9763 -12.9523 -12.9523 -12.8939 -12.8939 -12.8461 -12.8461 -12.8415 -12.8415 -12.8232 -12.8232 -1.4430 -1.4430 1.7105 1.7105 5.3183 5.3183 6.4620 6.4620 6.7648 6.7648 6.8345 6.8345 8.1703 8.1703 8.2093 8.2093 8.6039 8.6039 9.2649 9.2649 10.0579 10.0579 k = 0.0520 0.1301-0.0000 ( 5061 PWs) bands (ev): -13.9845 -13.9845 -13.9335 -13.9335 -13.9094 -13.9094 -13.9058 -13.9058 -12.9763 -12.9763 -12.9522 -12.9522 -12.8937 -12.8937 -12.8460 -12.8460 -12.8414 -12.8414 -12.8232 -12.8232 -1.4292 -1.4292 1.7275 1.7275 5.2327 5.2327 6.5137 6.5137 6.7435 6.7435 6.8235 6.8235 8.1675 8.1675 8.2142 8.2142 8.5673 8.5673 9.1668 9.1668 10.0317 10.0317 k = 0.0595 0.1487-0.0000 ( 5057 PWs) bands (ev): -13.9845 -13.9845 -13.9333 -13.9333 -13.9093 -13.9093 -13.9056 -13.9056 -12.9762 -12.9762 -12.9521 -12.9521 -12.8936 -12.8936 -12.8458 -12.8458 -12.8413 -12.8413 -12.8232 -12.8232 -1.4136 -1.4136 1.7469 1.7469 5.1469 5.1469 6.5543 6.5543 6.7228 6.7228 6.8094 6.8094 8.1369 8.1369 8.2547 8.2547 8.5342 8.5342 9.0700 9.0700 10.0026 10.0026 k = 0.0669 0.1673-0.0000 ( 5042 PWs) bands (ev): -13.9844 -13.9844 -13.9332 -13.9332 -13.9092 -13.9092 -13.9055 -13.9055 -12.9762 -12.9762 -12.9519 -12.9519 -12.8933 -12.8933 -12.8456 -12.8456 -12.8412 -12.8412 -12.8232 -12.8232 -1.3961 -1.3961 1.7687 1.7687 5.0617 5.0617 6.5745 6.5745 6.7116 6.7116 6.7906 6.7906 8.1090 8.1090 8.3023 8.3023 8.5056 8.5056 8.9755 8.9755 9.9708 9.9708 k = 0.0744 0.1859-0.0000 ( 5048 PWs) bands (ev): -13.9844 -13.9844 -13.9331 -13.9331 -13.9091 -13.9091 -13.9053 -13.9053 -12.9761 -12.9761 -12.9518 -12.9518 -12.8931 -12.8931 -12.8455 -12.8455 -12.8412 -12.8412 -12.8231 -12.8231 -1.3769 -1.3769 1.7928 1.7928 4.9777 4.9777 6.5655 6.5655 6.7186 6.7186 6.7659 6.7659 8.0873 8.0873 8.3551 8.3551 8.4825 8.4825 8.8842 8.8842 9.9370 9.9370 k = 0.0818 0.2045-0.0000 ( 5042 PWs) bands (ev): -13.9843 -13.9843 -13.9330 -13.9330 -13.9090 -13.9090 -13.9051 -13.9051 -12.9761 -12.9761 -12.9516 -12.9516 -12.8929 -12.8929 -12.8453 -12.8453 -12.8411 -12.8411 -12.8231 -12.8231 -1.3562 -1.3562 1.8189 1.8189 4.8954 4.8954 6.5345 6.5345 6.7331 6.7331 6.7381 6.7381 8.0735 8.0735 8.4104 8.4104 8.4663 8.4663 8.7972 8.7972 9.9018 9.9018 k = 0.0892 0.2231-0.0000 ( 5050 PWs) bands (ev): -13.9843 -13.9843 -13.9329 -13.9329 -13.9089 -13.9089 -13.9049 -13.9049 -12.9761 -12.9761 -12.9515 -12.9515 -12.8927 -12.8927 -12.8451 -12.8451 -12.8410 -12.8410 -12.8231 -12.8231 -1.3340 -1.3340 1.8471 1.8471 4.8152 4.8152 6.4922 6.4922 6.6954 6.6954 6.7562 6.7562 8.0690 8.0690 8.4428 8.4428 8.4797 8.4797 8.7175 8.7175 9.8656 9.8656 k = 0.0967 0.2417-0.0000 ( 5050 PWs) bands (ev): -13.9842 -13.9842 -13.9327 -13.9327 -13.9088 -13.9088 -13.9047 -13.9047 -12.9760 -12.9760 -12.9513 -12.9513 -12.8924 -12.8924 -12.8449 -12.8449 -12.8409 -12.8409 -12.8231 -12.8231 -1.3106 -1.3106 1.8772 1.8772 4.7375 4.7375 6.4436 6.4436 6.6498 6.6498 6.7717 6.7717 8.0743 8.0743 8.4389 8.4389 8.5225 8.5225 8.6581 8.6581 9.8289 9.8289 k = 0.1041 0.2603-0.0000 ( 5054 PWs) bands (ev): -13.9842 -13.9842 -13.9326 -13.9326 -13.9087 -13.9087 -13.9045 -13.9045 -12.9760 -12.9760 -12.9512 -12.9512 -12.8922 -12.8922 -12.8447 -12.8447 -12.8408 -12.8408 -12.8231 -12.8231 -1.2859 -1.2859 1.9089 1.9089 4.6625 4.6625 6.3909 6.3909 6.5980 6.5980 6.7818 6.7818 8.0894 8.0894 8.4347 8.4347 8.5114 8.5114 8.6658 8.6658 9.7924 9.7924 k = 0.1115 0.2789-0.0000 ( 5050 PWs) bands (ev): -13.9841 -13.9841 -13.9324 -13.9324 -13.9086 -13.9086 -13.9043 -13.9043 -12.9759 -12.9759 -12.9510 -12.9510 -12.8919 -12.8919 -12.8445 -12.8445 -12.8407 -12.8407 -12.8231 -12.8231 -1.2604 -1.2604 1.9421 1.9421 4.5907 4.5907 6.3350 6.3350 6.5412 6.5412 6.7863 6.7863 8.1135 8.1135 8.4216 8.4216 8.4690 8.4690 8.7261 8.7261 9.7563 9.7563 k = 0.1190 0.2975-0.0000 ( 5046 PWs) bands (ev): -13.9840 -13.9840 -13.9323 -13.9323 -13.9085 -13.9085 -13.9041 -13.9041 -12.9759 -12.9759 -12.9508 -12.9508 -12.8917 -12.8917 -12.8442 -12.8442 -12.8406 -12.8406 -12.8230 -12.8230 -1.2340 -1.2340 1.9766 1.9766 4.5223 4.5223 6.2766 6.2766 6.4808 6.4808 6.7851 6.7851 8.1447 8.1447 8.3737 8.3737 8.4612 8.4612 8.7991 8.7991 9.7211 9.7211 k = 0.1264 0.3161-0.0000 ( 5046 PWs) bands (ev): -13.9840 -13.9840 -13.9321 -13.9321 -13.9084 -13.9084 -13.9039 -13.9039 -12.9758 -12.9758 -12.9506 -12.9506 -12.8914 -12.8914 -12.8440 -12.8440 -12.8404 -12.8404 -12.8230 -12.8230 -1.2070 -1.2070 2.0122 2.0122 4.4575 4.4575 6.2161 6.2161 6.4185 6.4185 6.7783 6.7783 8.1780 8.1780 8.3205 8.3205 8.4705 8.4705 8.8759 8.8759 9.6870 9.6870 k = 0.1338 0.3347-0.0000 ( 5050 PWs) bands (ev): -13.9839 -13.9839 -13.9320 -13.9320 -13.9082 -13.9082 -13.9037 -13.9037 -12.9758 -12.9758 -12.9504 -12.9504 -12.8911 -12.8911 -12.8438 -12.8438 -12.8403 -12.8403 -12.8230 -12.8230 -1.1797 -1.1797 2.0486 2.0486 4.3967 4.3967 6.1536 6.1536 6.3557 6.3557 6.7665 6.7665 8.1907 8.1907 8.2958 8.2958 8.4861 8.4861 8.9537 8.9537 9.6543 9.6543 k = 0.1413 0.3533-0.0000 ( 5054 PWs) bands (ev): -13.9839 -13.9839 -13.9318 -13.9318 -13.9081 -13.9081 -13.9035 -13.9035 -12.9757 -12.9757 -12.9503 -12.9503 -12.8909 -12.8909 -12.8436 -12.8436 -12.8402 -12.8402 -12.8230 -12.8230 -1.1521 -1.1521 2.0854 2.0854 4.3400 4.3400 6.0897 6.0897 6.2939 6.2939 6.7500 6.7500 8.1579 8.1579 8.3261 8.3261 8.5061 8.5061 9.0306 9.0306 9.6233 9.6233 k = 0.1487 0.3719-0.0000 ( 5054 PWs) bands (ev): -13.9838 -13.9838 -13.9317 -13.9317 -13.9080 -13.9080 -13.9033 -13.9033 -12.9757 -12.9757 -12.9501 -12.9501 -12.8906 -12.8906 -12.8434 -12.8434 -12.8401 -12.8401 -12.8230 -12.8230 -1.1247 -1.1247 2.1225 2.1225 4.2878 4.2878 6.0247 6.0247 6.2340 6.2340 6.7293 6.7293 8.1095 8.1095 8.3807 8.3807 8.5301 8.5301 9.1045 9.1045 9.5938 9.5938 k = 0.1561 0.3904-0.0000 ( 5054 PWs) bands (ev): -13.9837 -13.9837 -13.9315 -13.9315 -13.9079 -13.9079 -13.9031 -13.9031 -12.9756 -12.9756 -12.9499 -12.9499 -12.8904 -12.8904 -12.8432 -12.8432 -12.8400 -12.8400 -12.8230 -12.8230 -1.0974 -1.0974 2.1593 2.1593 4.2402 4.2402 5.9594 5.9594 6.1770 6.1770 6.7048 6.7048 8.0607 8.0607 8.4440 8.4440 8.5578 8.5578 9.1726 9.1726 9.5634 9.5634 k = 0.1636 0.4090-0.0000 ( 5054 PWs) bands (ev): -13.9837 -13.9837 -13.9314 -13.9314 -13.9078 -13.9078 -13.9029 -13.9029 -12.9756 -12.9756 -12.9497 -12.9497 -12.8902 -12.8902 -12.8429 -12.8429 -12.8399 -12.8399 -12.8230 -12.8230 -1.0707 -1.0707 2.1955 2.1955 4.1974 4.1974 5.8945 5.8945 6.1232 6.1232 6.6770 6.6770 8.0143 8.0143 8.5113 8.5113 8.5897 8.5897 9.2308 9.2308 9.5267 9.5267 k = 0.1710 0.4276-0.0000 ( 5058 PWs) bands (ev): -13.9836 -13.9836 -13.9312 -13.9312 -13.9077 -13.9077 -13.9028 -13.9028 -12.9755 -12.9755 -12.9496 -12.9496 -12.8899 -12.8899 -12.8428 -12.8428 -12.8398 -12.8398 -12.8230 -12.8230 -1.0447 -1.0447 2.2306 2.2306 4.1597 4.1597 5.8311 5.8311 6.0729 6.0729 6.6464 6.6464 7.9715 7.9715 8.5782 8.5782 8.6282 8.6282 9.2730 9.2730 9.4867 9.4867 k = 0.1785 0.4462-0.0000 ( 5050 PWs) bands (ev): -13.9836 -13.9836 -13.9311 -13.9311 -13.9076 -13.9076 -13.9026 -13.9026 -12.9755 -12.9755 -12.9494 -12.9494 -12.8897 -12.8897 -12.8426 -12.8426 -12.8397 -12.8397 -12.8229 -12.8229 -1.0196 -1.0196 2.2642 2.2642 4.1273 4.1273 5.7702 5.7702 6.0262 6.0262 6.6135 6.6135 7.9326 7.9326 8.6348 8.6348 8.6816 8.6816 9.2934 9.2934 9.4464 9.4464 k = 0.1859 0.4648-0.0000 ( 5054 PWs) bands (ev): -13.9835 -13.9835 -13.9309 -13.9309 -13.9075 -13.9075 -13.9025 -13.9025 -12.9754 -12.9754 -12.9493 -12.9493 -12.8896 -12.8896 -12.8424 -12.8424 -12.8396 -12.8396 -12.8229 -12.8229 -0.9957 -0.9957 2.2958 2.2958 4.1003 4.1003 5.7129 5.7129 5.9831 5.9831 6.5786 6.5786 7.8978 7.8978 8.6792 8.6792 8.7505 8.7505 9.2926 9.2926 9.4065 9.4065 k = 0.1933 0.4834-0.0000 ( 5058 PWs) bands (ev): -13.9835 -13.9835 -13.9308 -13.9308 -13.9075 -13.9075 -13.9024 -13.9024 -12.9754 -12.9754 -12.9492 -12.9492 -12.8894 -12.8894 -12.8422 -12.8422 -12.8396 -12.8396 -12.8229 -12.8229 -0.9731 -0.9731 2.3249 2.3249 4.0789 4.0789 5.6602 5.6602 5.9436 5.9436 6.5424 6.5424 7.8673 7.8673 8.7204 8.7204 8.8244 8.8244 9.2769 9.2769 9.3669 9.3669 k = 0.2008 0.5020-0.0000 ( 5064 PWs) bands (ev): -13.9835 -13.9835 -13.9307 -13.9307 -13.9074 -13.9074 -13.9022 -13.9022 -12.9754 -12.9754 -12.9490 -12.9490 -12.8893 -12.8893 -12.8421 -12.8421 -12.8395 -12.8395 -12.8229 -12.8229 -0.9522 -0.9522 2.3508 2.3508 4.0633 4.0633 5.6130 5.6130 5.9077 5.9077 6.5050 6.5050 7.8410 7.8410 8.7615 8.7615 8.8984 8.8984 9.2522 9.2522 9.3273 9.3273 k = 0.2082 0.5206-0.0000 ( 5058 PWs) bands (ev): -13.9834 -13.9834 -13.9306 -13.9306 -13.9073 -13.9073 -13.9022 -13.9022 -12.9753 -12.9753 -12.9489 -12.9489 -12.8891 -12.8891 -12.8419 -12.8419 -12.8395 -12.8395 -12.8229 -12.8229 -0.9330 -0.9330 2.3731 2.3731 4.0537 4.0537 5.5721 5.5721 5.8755 5.8755 6.4671 6.4671 7.8190 7.8190 8.8030 8.8030 8.9701 8.9701 9.2223 9.2223 9.2876 9.2876 k = 0.2156 0.5392-0.0000 ( 5062 PWs) bands (ev): -13.9834 -13.9834 -13.9305 -13.9305 -13.9073 -13.9073 -13.9021 -13.9021 -12.9753 -12.9753 -12.9489 -12.9489 -12.8890 -12.8890 -12.8418 -12.8418 -12.8395 -12.8395 -12.8229 -12.8229 -0.9157 -0.9157 2.3912 2.3912 4.0500 4.0500 5.5384 5.5384 5.8469 5.8469 6.4288 6.4288 7.8015 7.8015 8.8443 8.8443 9.0368 9.0368 9.1900 9.1900 9.2481 9.2481 k = 0.2231 0.5578-0.0000 ( 5060 PWs) bands (ev): -13.9834 -13.9834 -13.9304 -13.9304 -13.9073 -13.9073 -13.9020 -13.9020 -12.9753 -12.9753 -12.9488 -12.9488 -12.8889 -12.8889 -12.8417 -12.8417 -12.8395 -12.8395 -12.8229 -12.8229 -0.9004 -0.9004 2.4047 2.4047 4.0524 4.0524 5.5125 5.5125 5.8221 5.8221 6.3906 6.3906 7.7883 7.7883 8.8837 8.8837 9.0901 9.0901 9.1618 9.1618 9.2112 9.2112 k = 0.2305 0.5764-0.0000 ( 5068 PWs) bands (ev): -13.9833 -13.9833 -13.9304 -13.9304 -13.9073 -13.9073 -13.9020 -13.9020 -12.9752 -12.9752 -12.9487 -12.9487 -12.8889 -12.8889 -12.8415 -12.8415 -12.8395 -12.8395 -12.8229 -12.8229 -0.8874 -0.8874 2.4132 2.4132 4.0609 4.0609 5.4948 5.4948 5.8011 5.8011 6.3528 6.3528 7.7796 7.7796 8.9171 8.9171 9.0994 9.0994 9.1464 9.1464 9.2015 9.2015 k = 0.2379 0.5950-0.0000 ( 5066 PWs) bands (ev): -13.9833 -13.9833 -13.9303 -13.9303 -13.9073 -13.9073 -13.9020 -13.9020 -12.9752 -12.9752 -12.9487 -12.9487 -12.8889 -12.8889 -12.8414 -12.8414 -12.8396 -12.8396 -12.8229 -12.8229 -0.8766 -0.8766 2.4164 2.4164 4.0756 4.0756 5.4858 5.4858 5.7841 5.7841 6.3157 6.3157 7.7753 7.7753 8.9335 8.9335 9.0872 9.0872 9.1100 9.1100 9.2399 9.2399 k = 0.2454 0.6136-0.0000 ( 5066 PWs) bands (ev): -13.9833 -13.9833 -13.9303 -13.9303 -13.9073 -13.9073 -13.9020 -13.9020 -12.9752 -12.9752 -12.9487 -12.9487 -12.8888 -12.8888 -12.8414 -12.8414 -12.8396 -12.8396 -12.8229 -12.8229 -0.8681 -0.8681 2.4142 2.4142 4.0963 4.0963 5.4854 5.4854 5.7712 5.7712 6.2795 6.2795 7.7754 7.7754 8.9189 8.9189 9.0647 9.0647 9.0973 9.0973 9.2835 9.2835 k = 0.2528 0.6322-0.0000 ( 5058 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9073 -13.9073 -13.9020 -13.9020 -12.9752 -12.9752 -12.9486 -12.9486 -12.8888 -12.8888 -12.8413 -12.8413 -12.8397 -12.8397 -12.8230 -12.8230 -0.8620 -0.8620 2.4064 2.4064 4.1231 4.1231 5.4934 5.4934 5.7628 5.7628 6.2445 6.2445 7.7799 7.7799 8.8790 8.8790 9.0155 9.0155 9.1281 9.1281 9.3228 9.3228 k = 0.2602 0.6507-0.0000 ( 5068 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9073 -13.9073 -13.9020 -13.9020 -12.9752 -12.9752 -12.9487 -12.9487 -12.8889 -12.8889 -12.8412 -12.8412 -12.8398 -12.8398 -12.8230 -12.8230 -0.8582 -0.8582 2.3933 2.3933 4.1559 4.1559 5.5094 5.5094 5.7594 5.7594 6.2110 6.2110 7.7889 7.7889 8.8265 8.8265 8.9625 8.9625 9.1680 9.1680 9.3566 9.3566 k = 0.2677 0.6693-0.0000 ( 5052 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9073 -13.9073 -13.9021 -13.9021 -12.9752 -12.9752 -12.9487 -12.9487 -12.8889 -12.8889 -12.8412 -12.8412 -12.8399 -12.8399 -12.8230 -12.8230 -0.8567 -0.8567 2.3749 2.3749 4.1945 4.1945 5.5323 5.5323 5.7618 5.7618 6.1792 6.1792 7.8022 7.8022 8.7674 8.7674 8.9060 8.9060 9.2111 9.2111 9.3855 9.3855 k = 0.2751 0.6879-0.0000 ( 5052 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9074 -13.9074 -13.9022 -13.9022 -12.9752 -12.9752 -12.9487 -12.9487 -12.8890 -12.8890 -12.8412 -12.8412 -12.8400 -12.8400 -12.8230 -12.8230 -0.8575 -0.8575 2.3517 2.3517 4.2387 4.2387 5.5602 5.5602 5.7714 5.7714 6.1493 6.1493 7.8198 7.8198 8.7042 8.7042 8.8461 8.8461 9.2549 9.2549 9.4104 9.4104 k = 0.2825 0.7065-0.0000 ( 5044 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9074 -13.9074 -13.9023 -13.9023 -12.9752 -12.9752 -12.9488 -12.9488 -12.8891 -12.8891 -12.8411 -12.8411 -12.8402 -12.8402 -12.8230 -12.8230 -0.8604 -0.8604 2.3240 2.3240 4.2884 4.2884 5.5905 5.5905 5.7903 5.7903 6.1215 6.1215 7.8418 7.8418 8.6382 8.6382 8.7833 8.7833 9.2977 9.2977 9.4327 9.4327 k = 0.2900 0.7251-0.0000 ( 5058 PWs) bands (ev): -13.9833 -13.9833 -13.9303 -13.9303 -13.9075 -13.9075 -13.9024 -13.9024 -12.9752 -12.9752 -12.9489 -12.9489 -12.8893 -12.8893 -12.8412 -12.8412 -12.8403 -12.8403 -12.8230 -12.8230 -0.8654 -0.8654 2.2923 2.2923 4.3434 4.3434 5.6202 5.6202 5.8209 5.8209 6.0963 6.0963 7.8680 7.8680 8.5702 8.5702 8.7182 8.7182 9.3383 9.3383 9.4537 9.4537 k = 0.2900 0.7251-0.0000 ( 5058 PWs) bands (ev): -13.9833 -13.9833 -13.9303 -13.9303 -13.9075 -13.9075 -13.9024 -13.9024 -12.9752 -12.9752 -12.9489 -12.9489 -12.8893 -12.8893 -12.8412 -12.8412 -12.8403 -12.8403 -12.8230 -12.8230 -0.8654 -0.8654 2.2923 2.2923 4.3434 4.3434 5.6202 5.6202 5.8209 5.8209 6.0963 6.0963 7.8680 7.8680 8.5702 8.5702 8.7182 8.7182 9.3383 9.3383 9.4537 9.4537 k = 0.2706 0.7251-0.0000 ( 5051 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9075 -13.9075 -13.9024 -13.9024 -12.9752 -12.9752 -12.9488 -12.9488 -12.8892 -12.8892 -12.8412 -12.8412 -12.8403 -12.8403 -12.8230 -12.8230 -0.8635 -0.8635 2.3037 2.3037 4.3253 4.3253 5.6086 5.6086 5.8075 5.8075 6.1037 6.1037 7.8564 7.8564 8.5951 8.5951 8.7459 8.7459 9.3267 9.3267 9.4456 9.4456 k = 0.2513 0.7251-0.0000 ( 5053 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9074 -13.9074 -13.9023 -13.9023 -12.9752 -12.9752 -12.9488 -12.9488 -12.8892 -12.8892 -12.8411 -12.8411 -12.8402 -12.8402 -12.8230 -12.8230 -0.8622 -0.8622 2.3138 2.3138 4.3125 4.3125 5.5941 5.5941 5.7948 5.7948 6.1082 6.1082 7.8418 7.8418 8.6199 8.6199 8.7812 8.7812 9.3202 9.3202 9.4376 9.4376 k = 0.2320 0.7251-0.0000 ( 5055 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9074 -13.9074 -13.9023 -13.9023 -12.9752 -12.9752 -12.9488 -12.9488 -12.8891 -12.8891 -12.8411 -12.8411 -12.8402 -12.8402 -12.8230 -12.8230 -0.8612 -0.8612 2.3225 2.3225 4.3049 4.3049 5.5765 5.5765 5.7835 5.7835 6.1094 6.1094 7.8246 7.8246 8.6439 8.6439 8.8227 8.8227 9.3192 9.3192 9.4319 9.4319 k = 0.2127 0.7251-0.0000 ( 5059 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9074 -13.9074 -13.9023 -13.9023 -12.9752 -12.9752 -12.9488 -12.9488 -12.8891 -12.8891 -12.8411 -12.8411 -12.8402 -12.8402 -12.8230 -12.8230 -0.8606 -0.8606 2.3297 2.3297 4.3023 4.3023 5.5557 5.5557 5.7741 5.7741 6.1074 6.1074 7.8053 7.8053 8.6666 8.6666 8.8687 8.8687 9.3236 9.3236 9.4308 9.4308 k = 0.1933 0.7251-0.0000 ( 5052 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9074 -13.9074 -13.9022 -13.9022 -12.9752 -12.9752 -12.9487 -12.9487 -12.8890 -12.8890 -12.8410 -12.8410 -12.8402 -12.8402 -12.8230 -12.8230 -0.8603 -0.8603 2.3354 2.3354 4.3045 4.3045 5.5321 5.5321 5.7668 5.7668 6.1027 6.1027 7.7844 7.7844 8.6872 8.6872 8.9169 8.9169 9.3328 9.3328 9.4365 9.4365 k = 0.1740 0.7251-0.0000 ( 5056 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9073 -13.9073 -13.9022 -13.9022 -12.9752 -12.9752 -12.9487 -12.9487 -12.8890 -12.8890 -12.8410 -12.8410 -12.8402 -12.8402 -12.8230 -12.8230 -0.8602 -0.8602 2.3399 2.3399 4.3110 4.3110 5.5061 5.5061 5.7614 5.7614 6.0960 6.0960 7.7627 7.7627 8.7050 8.7050 8.9652 8.9652 9.3458 9.3458 9.4510 9.4510 k = 0.1547 0.7251-0.0000 ( 5058 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9073 -13.9073 -13.9022 -13.9022 -12.9752 -12.9752 -12.9487 -12.9487 -12.8890 -12.8890 -12.8410 -12.8410 -12.8402 -12.8402 -12.8230 -12.8230 -0.8603 -0.8603 2.3431 2.3431 4.3211 4.3211 5.4785 5.4785 5.7577 5.7577 6.0880 6.0880 7.7409 7.7409 8.7195 8.7195 9.0113 9.0113 9.3610 9.3610 9.4752 9.4752 k = 0.1353 0.7251-0.0000 ( 5059 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9073 -13.9073 -13.9021 -13.9021 -12.9752 -12.9752 -12.9487 -12.9487 -12.8889 -12.8889 -12.8409 -12.8409 -12.8402 -12.8402 -12.8230 -12.8230 -0.8605 -0.8605 2.3453 2.3453 4.3340 4.3340 5.4500 5.4500 5.7552 5.7552 6.0794 6.0794 7.7197 7.7197 8.7306 8.7306 9.0539 9.0539 9.3773 9.3773 9.5087 9.5087 k = 0.1160 0.7251-0.0000 ( 5065 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9073 -13.9073 -13.9021 -13.9021 -12.9752 -12.9752 -12.9487 -12.9487 -12.8889 -12.8889 -12.8409 -12.8409 -12.8402 -12.8402 -12.8230 -12.8230 -0.8608 -0.8608 2.3467 2.3467 4.3489 4.3489 5.4217 5.4217 5.7536 5.7536 6.0708 6.0708 7.6998 7.6998 8.7384 8.7384 9.0919 9.0919 9.3938 9.3938 9.5493 9.5493 k = 0.0967 0.7251-0.0000 ( 5065 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9073 -13.9073 -13.9021 -13.9021 -12.9752 -12.9752 -12.9487 -12.9487 -12.8889 -12.8889 -12.8408 -12.8408 -12.8402 -12.8402 -12.8230 -12.8230 -0.8611 -0.8611 2.3475 2.3475 4.3645 4.3645 5.3947 5.3947 5.7527 5.7527 6.0628 6.0628 7.6819 7.6819 8.7435 8.7435 9.1248 9.1248 9.4096 9.4096 9.5934 9.5934 k = 0.0773 0.7251-0.0000 ( 5066 PWs) bands (ev): -13.9833 -13.9833 -13.9303 -13.9303 -13.9072 -13.9072 -13.9021 -13.9021 -12.9752 -12.9752 -12.9487 -12.9487 -12.8889 -12.8889 -12.8407 -12.8407 -12.8403 -12.8403 -12.8230 -12.8230 -0.8614 -0.8614 2.3478 2.3478 4.3797 4.3797 5.3701 5.3701 5.7522 5.7522 6.0558 6.0558 7.6663 7.6663 8.7465 8.7465 9.1523 9.1523 9.4242 9.4242 9.6370 9.6370 k = 0.0580 0.7251-0.0000 ( 5064 PWs) bands (ev): -13.9833 -13.9833 -13.9302 -13.9302 -13.9072 -13.9072 -13.9021 -13.9021 -12.9752 -12.9752 -12.9487 -12.9487 -12.8889 -12.8889 -12.8407 -12.8407 -12.8403 -12.8403 -12.8230 -12.8230 -0.8617 -0.8617 2.3478 2.3478 4.3934 4.3934 5.3492 5.3492 5.7520 5.7520 6.0501 6.0501 7.6538 7.6538 8.7480 8.7480 9.1741 9.1741 9.4366 9.4366 9.6760 9.6760 k = 0.0387 0.7251-0.0000 ( 5062 PWs) bands (ev): -13.9833 -13.9833 -13.9303 -13.9303 -13.9072 -13.9072 -13.9021 -13.9021 -12.9752 -12.9752 -12.9487 -12.9487 -12.8888 -12.8888 -12.8406 -12.8406 -12.8404 -12.8404 -12.8230 -12.8230 -0.8619 -0.8619 2.3477 2.3477 4.4041 4.4041 5.3333 5.3333 5.7519 5.7519 6.0459 6.0459 7.6445 7.6445 8.7486 8.7486 9.1900 9.1900 9.4462 9.4462 9.7067 9.7067 k = 0.0193 0.7251-0.0000 ( 5056 PWs) bands (ev): -13.9833 -13.9833 -13.9303 -13.9303 -13.9072 -13.9072 -13.9021 -13.9021 -12.9752 -12.9752 -12.9487 -12.9487 -12.8888 -12.8888 -12.8405 -12.8405 -12.8404 -12.8404 -12.8230 -12.8230 -0.8620 -0.8620 2.3476 2.3476 4.4111 4.4111 5.3232 5.3232 5.7519 5.7519 6.0433 6.0433 7.6389 7.6389 8.7488 8.7488 9.1996 9.1996 9.4522 9.4522 9.7264 9.7264 k = 0.0000 0.7251-0.0000 ( 5056 PWs) bands (ev): -13.9832 -13.9832 -13.9303 -13.9303 -13.9072 -13.9072 -13.9021 -13.9021 -12.9752 -12.9752 -12.9487 -12.9487 -12.8888 -12.8888 -12.8405 -12.8405 -12.8404 -12.8404 -12.8230 -12.8230 -0.8621 -0.8621 2.3476 2.3476 4.4135 4.4135 5.3198 5.3198 5.7519 5.7519 6.0425 6.0425 7.6370 7.6370 8.7488 8.7488 9.2029 9.2029 9.4542 9.4542 9.7332 9.7332 k = 0.0000 0.7251-0.0000 ( 5056 PWs) bands (ev): -13.9832 -13.9832 -13.9303 -13.9303 -13.9072 -13.9072 -13.9021 -13.9021 -12.9752 -12.9752 -12.9487 -12.9487 -12.8888 -12.8888 -12.8405 -12.8405 -12.8404 -12.8404 -12.8230 -12.8230 -0.8621 -0.8621 2.3476 2.3476 4.4135 4.4135 5.3198 5.3198 5.7519 5.7519 6.0425 6.0425 7.6370 7.6370 8.7488 8.7488 9.2029 9.2029 9.4542 9.4542 9.7332 9.7332 k = 0.0000 0.7251 0.0202 ( 5062 PWs) bands (ev): -13.9832 -13.9832 -13.9303 -13.9303 -13.9072 -13.9072 -13.9020 -13.9020 -12.9751 -12.9751 -12.9487 -12.9487 -12.8888 -12.8888 -12.8415 -12.8415 -12.8395 -12.8395 -12.8230 -12.8230 -0.8610 -0.8610 2.3451 2.3451 4.4151 4.4151 5.3216 5.3216 5.7515 5.7515 6.0413 6.0413 7.6356 7.6356 8.7449 8.7449 9.2057 9.2057 9.4546 9.4546 9.7343 9.7343 k = 0.0000 0.7251 0.0404 ( 5060 PWs) bands (ev): -13.9832 -13.9832 -13.9304 -13.9304 -13.9071 -13.9071 -13.9020 -13.9020 -12.9751 -12.9751 -12.9486 -12.9486 -12.8888 -12.8888 -12.8425 -12.8425 -12.8387 -12.8387 -12.8231 -12.8231 -0.8580 -0.8580 2.3376 2.3376 4.4199 4.4199 5.3269 5.3269 5.7503 5.7503 6.0380 6.0380 7.6313 7.6313 8.7331 8.7331 9.2142 9.2142 9.4556 9.4556 9.7378 9.7378 k = 0.0000 0.7251 0.0606 ( 5062 PWs) bands (ev): -13.9830 -13.9830 -13.9306 -13.9306 -13.9070 -13.9070 -13.9020 -13.9020 -12.9750 -12.9750 -12.9486 -12.9486 -12.8888 -12.8888 -12.8435 -12.8435 -12.8378 -12.8378 -12.8232 -12.8232 -0.8529 -0.8529 2.3252 2.3252 4.4279 4.4279 5.3357 5.3357 5.7482 5.7482 6.0325 6.0325 7.6242 7.6242 8.7138 8.7138 9.2283 9.2283 9.4576 9.4576 9.7437 9.7437 k = 0.0000 0.7251 0.0808 ( 5054 PWs) bands (ev): -13.9828 -13.9828 -13.9308 -13.9308 -13.9069 -13.9069 -13.9020 -13.9020 -12.9748 -12.9748 -12.9485 -12.9485 -12.8888 -12.8888 -12.8446 -12.8446 -12.8370 -12.8370 -12.8234 -12.8234 -0.8457 -0.8457 2.3078 2.3078 4.4392 4.4392 5.3477 5.3477 5.7455 5.7455 6.0252 6.0252 7.6143 7.6143 8.6875 8.6875 9.2476 9.2476 9.4609 9.4609 9.7521 9.7521 k = 0.0000 0.7251 0.1010 ( 5060 PWs) bands (ev): -13.9826 -13.9826 -13.9311 -13.9311 -13.9067 -13.9067 -13.9019 -13.9019 -12.9746 -12.9746 -12.9484 -12.9484 -12.8888 -12.8888 -12.8457 -12.8457 -12.8363 -12.8363 -12.8236 -12.8236 -0.8365 -0.8365 2.2856 2.2856 4.4537 4.4537 5.3625 5.3625 5.7421 5.7421 6.0164 6.0164 7.6015 7.6015 8.6548 8.6548 9.2719 9.2719 9.4661 9.4661 9.7634 9.7634 k = 0.0000 0.7251 0.1212 ( 5056 PWs) bands (ev): -13.9823 -13.9823 -13.9314 -13.9314 -13.9065 -13.9065 -13.9018 -13.9018 -12.9743 -12.9743 -12.9483 -12.9483 -12.8888 -12.8888 -12.8468 -12.8468 -12.8357 -12.8357 -12.8238 -12.8238 -0.8253 -0.8253 2.2588 2.2588 4.4717 4.4717 5.3798 5.3798 5.7382 5.7382 6.0065 6.0065 7.5859 7.5859 8.6164 8.6164 9.3009 9.3009 9.4736 9.4736 9.7775 9.7775 k = 0.0000 0.7251 0.1414 ( 5052 PWs) bands (ev): -13.9819 -13.9819 -13.9318 -13.9318 -13.9063 -13.9063 -13.9018 -13.9018 -12.9740 -12.9740 -12.9482 -12.9482 -12.8889 -12.8889 -12.8479 -12.8479 -12.8351 -12.8351 -12.8241 -12.8241 -0.8120 -0.8120 2.2273 2.2273 4.4929 4.4929 5.3989 5.3989 5.7340 5.7340 5.9962 5.9962 7.5676 7.5676 8.5732 8.5732 9.3339 9.3339 9.4840 9.4840 9.7947 9.7947 k = 0.0000 0.7251 0.1616 ( 5048 PWs) bands (ev): -13.9815 -13.9815 -13.9323 -13.9323 -13.9061 -13.9061 -13.9017 -13.9017 -12.9737 -12.9737 -12.9480 -12.9480 -12.8889 -12.8889 -12.8491 -12.8491 -12.8346 -12.8346 -12.8244 -12.8244 -0.7967 -0.7967 2.1915 2.1915 4.5175 4.5175 5.4190 5.4190 5.7295 5.7295 5.9862 5.9862 7.5468 7.5468 8.5260 8.5260 9.3704 9.3704 9.4978 9.4978 9.8151 9.8151 k = 0.0000 0.7251 0.1818 ( 5044 PWs) bands (ev): -13.9811 -13.9811 -13.9328 -13.9328 -13.9058 -13.9058 -13.9016 -13.9016 -12.9733 -12.9733 -12.9479 -12.9479 -12.8890 -12.8890 -12.8502 -12.8502 -12.8341 -12.8341 -12.8247 -12.8247 -0.7795 -0.7795 2.1514 2.1514 4.5455 4.5455 5.4390 5.4390 5.7251 5.7251 5.9776 5.9776 7.5235 7.5235 8.4755 8.4755 9.4094 9.4094 9.5158 9.5158 9.8386 9.8386 k = 0.0000 0.7251 0.2021 ( 5044 PWs) bands (ev): -13.9806 -13.9806 -13.9333 -13.9333 -13.9055 -13.9055 -13.9015 -13.9015 -12.9728 -12.9728 -12.9477 -12.9477 -12.8891 -12.8891 -12.8513 -12.8513 -12.8338 -12.8338 -12.8250 -12.8250 -0.7602 -0.7602 2.1073 2.1073 4.5767 4.5767 5.4577 5.4577 5.7208 5.7208 5.9715 5.9715 7.4980 7.4980 8.4225 8.4225 9.4501 9.4501 9.5387 9.5387 9.8652 9.8652 k = 0.0000 0.7251 0.2223 ( 5042 PWs) bands (ev): -13.9800 -13.9800 -13.9339 -13.9339 -13.9052 -13.9052 -13.9013 -13.9013 -12.9724 -12.9724 -12.9475 -12.9475 -12.8892 -12.8892 -12.8525 -12.8525 -12.8335 -12.8335 -12.8253 -12.8253 -0.7389 -0.7389 2.0595 2.0595 4.6110 4.6110 5.4739 5.4739 5.7166 5.7166 5.9696 5.9696 7.4706 7.4706 8.3678 8.3678 9.4911 9.4911 9.5672 9.5672 9.8947 9.8947 k = 0.0000 0.7251 0.2425 ( 5048 PWs) bands (ev): -13.9794 -13.9794 -13.9345 -13.9345 -13.9050 -13.9050 -13.9012 -13.9012 -12.9719 -12.9719 -12.9472 -12.9472 -12.8894 -12.8894 -12.8536 -12.8536 -12.8334 -12.8334 -12.8256 -12.8256 -0.7156 -0.7156 2.0083 2.0083 4.6483 4.6483 5.4861 5.4861 5.7122 5.7122 5.9732 5.9732 7.4417 7.4417 8.3119 8.3119 9.5315 9.5315 9.6019 9.6019 9.9269 9.9269 k = 0.0000 0.7251 0.2627 ( 5052 PWs) bands (ev): -13.9788 -13.9788 -13.9352 -13.9352 -13.9047 -13.9047 -13.9011 -13.9011 -12.9713 -12.9713 -12.9470 -12.9470 -12.8896 -12.8896 -12.8548 -12.8548 -12.8333 -12.8333 -12.8258 -12.8258 -0.6904 -0.6904 1.9538 1.9538 4.6883 4.6883 5.4937 5.4937 5.7073 5.7073 5.9838 5.9838 7.4116 7.4116 8.2554 8.2554 9.5710 9.5710 9.6423 9.6423 9.9610 9.9610 k = 0.0000 0.7251 0.2829 ( 5052 PWs) bands (ev): -13.9781 -13.9781 -13.9359 -13.9359 -13.9044 -13.9044 -13.9009 -13.9009 -12.9707 -12.9707 -12.9467 -12.9467 -12.8898 -12.8898 -12.8559 -12.8559 -12.8333 -12.8333 -12.8260 -12.8260 -0.6632 -0.6632 1.8964 1.8964 4.7308 4.7308 5.4963 5.4963 5.7016 5.7016 6.0020 6.0020 7.3807 7.3807 8.1989 8.1989 9.6107 9.6107 9.6871 9.6871 9.9959 9.9959 k = 0.0000 0.7251 0.3031 ( 5056 PWs) bands (ev): -13.9774 -13.9774 -13.9366 -13.9366 -13.9041 -13.9041 -13.9008 -13.9008 -12.9701 -12.9701 -12.9465 -12.9465 -12.8901 -12.8901 -12.8570 -12.8570 -12.8334 -12.8334 -12.8261 -12.8261 -0.6340 -0.6340 1.8363 1.8363 4.7754 4.7754 5.4942 5.4942 5.6950 5.6950 6.0275 6.0275 7.3496 7.3496 8.1427 8.1427 9.6515 9.6515 9.7345 9.7345 10.0303 10.0303 k = 0.0000 0.7251 0.3233 ( 5052 PWs) bands (ev): -13.9766 -13.9766 -13.9374 -13.9374 -13.9038 -13.9038 -13.9006 -13.9006 -12.9695 -12.9695 -12.9462 -12.9462 -12.8904 -12.8904 -12.8581 -12.8581 -12.8336 -12.8336 -12.8262 -12.8262 -0.6029 -0.6029 1.7739 1.7739 4.8217 4.8217 5.4880 5.4880 5.6879 5.6879 6.0592 6.0592 7.3186 7.3186 8.0874 8.0874 9.6941 9.6941 9.7831 9.7831 10.0629 10.0629 k = 0.0000 0.7251 0.3435 ( 5050 PWs) bands (ev): -13.9758 -13.9758 -13.9382 -13.9382 -13.9035 -13.9035 -13.9005 -13.9005 -12.9688 -12.9688 -12.9459 -12.9459 -12.8908 -12.8908 -12.8592 -12.8592 -12.8338 -12.8338 -12.8263 -12.8263 -0.5700 -0.5700 1.7095 1.7095 4.8690 4.8690 5.4786 5.4786 5.6809 5.6809 6.0958 6.0958 7.2885 7.2885 8.0332 8.0332 9.7390 9.7390 9.8323 9.8323 10.0931 10.0931 k = 0.0000 0.7251 0.3637 ( 5056 PWs) bands (ev): -13.9750 -13.9750 -13.9390 -13.9390 -13.9032 -13.9032 -13.9003 -13.9003 -12.9681 -12.9681 -12.9456 -12.9456 -12.8911 -12.8911 -12.8603 -12.8603 -12.8340 -12.8340 -12.8264 -12.8264 -0.5351 -0.5351 1.6432 1.6432 4.9169 4.9169 5.4667 5.4667 5.6748 5.6748 6.1356 6.1356 7.2596 7.2596 7.9804 7.9804 9.7861 9.7861 9.8815 9.8815 10.1216 10.1216 k = 0.0000 0.7251 0.3839 ( 5052 PWs) bands (ev): -13.9741 -13.9741 -13.9398 -13.9398 -13.9030 -13.9030 -13.9002 -13.9002 -12.9673 -12.9673 -12.9454 -12.9454 -12.8915 -12.8915 -12.8615 -12.8615 -12.8342 -12.8342 -12.8265 -12.8265 -0.4983 -0.4983 1.5755 1.5755 4.9645 4.9645 5.4529 5.4529 5.6705 5.6705 6.1770 6.1770 7.2327 7.2327 7.9293 7.9293 9.8351 9.8351 9.9303 9.9303 10.1495 10.1495 k = 0.0000 0.7251 0.4041 ( 5050 PWs) bands (ev): -13.9733 -13.9733 -13.9407 -13.9407 -13.9027 -13.9027 -13.9000 -13.9000 -12.9665 -12.9665 -12.9451 -12.9451 -12.8918 -12.8918 -12.8626 -12.8626 -12.8343 -12.8343 -12.8265 -12.8265 -0.4597 -0.4597 1.5064 1.5064 5.0109 5.0109 5.4380 5.4380 5.6688 5.6688 6.2183 6.2183 7.2085 7.2085 7.8800 7.8800 9.8856 9.8856 9.9786 9.9786 10.1782 10.1782 k = 0.0000 0.7251 0.4243 ( 5040 PWs) bands (ev): -13.9723 -13.9723 -13.9415 -13.9415 -13.9024 -13.9024 -13.8999 -13.8999 -12.9657 -12.9657 -12.9449 -12.9449 -12.8921 -12.8921 -12.8638 -12.8638 -12.8345 -12.8345 -12.8266 -12.8266 -0.4193 -0.4193 1.4364 1.4364 5.0552 5.0552 5.4223 5.4223 5.6709 5.6709 6.2580 6.2580 7.1877 7.1877 7.8329 7.8329 9.9371 9.9371 10.0265 10.0265 10.2085 10.2085 k = 0.0000 0.7251 0.4445 ( 5040 PWs) bands (ev): -13.9714 -13.9714 -13.9424 -13.9424 -13.9022 -13.9022 -13.8997 -13.8997 -12.9649 -12.9649 -12.9448 -12.9448 -12.8924 -12.8924 -12.8650 -12.8650 -12.8346 -12.8346 -12.8267 -12.8267 -0.3771 -0.3771 1.3656 1.3656 5.0961 5.0961 5.4062 5.4062 5.6775 5.6775 6.2946 6.2946 7.1711 7.1711 7.7880 7.7880 9.9886 9.9886 10.0740 10.0740 10.2412 10.2412 k = 0.0000 0.7251 0.4647 ( 5040 PWs) bands (ev): -13.9704 -13.9704 -13.9434 -13.9434 -13.9019 -13.9019 -13.8996 -13.8996 -12.9640 -12.9640 -12.9447 -12.9447 -12.8926 -12.8926 -12.8663 -12.8663 -12.8346 -12.8346 -12.8269 -12.8269 -0.3330 -0.3330 1.2941 1.2941 5.1326 5.1326 5.3902 5.3902 5.6896 5.6896 6.3267 6.3267 7.1595 7.1595 7.7455 7.7455 10.0389 10.0389 10.1218 10.1218 10.2767 10.2767 k = 0.0000 0.7251 0.4849 ( 5042 PWs) bands (ev): -13.9694 -13.9694 -13.9443 -13.9443 -13.9017 -13.9017 -13.8995 -13.8995 -12.9631 -12.9631 -12.9447 -12.9447 -12.8928 -12.8928 -12.8676 -12.8676 -12.8346 -12.8346 -12.8270 -12.8270 -0.2873 -0.2873 1.2223 1.2223 5.1638 5.1638 5.3746 5.3746 5.7078 5.7078 6.3529 6.3529 7.1535 7.1535 7.7053 7.7053 10.0867 10.0867 10.1702 10.1702 10.3153 10.3153 k = 0.0000 0.7251 0.5051 ( 5036 PWs) bands (ev): -13.9684 -13.9684 -13.9452 -13.9452 -13.9015 -13.9015 -13.8994 -13.8994 -12.9622 -12.9622 -12.9447 -12.9447 -12.8928 -12.8928 -12.8690 -12.8690 -12.8345 -12.8345 -12.8272 -12.8272 -0.2397 -0.2397 1.1503 1.1503 5.1893 5.1893 5.3595 5.3595 5.7324 5.7324 6.3723 6.3723 7.1534 7.1534 7.6675 7.6675 10.1310 10.1310 10.2195 10.2195 10.3567 10.3567 k = 0.0000 0.7251 0.5253 ( 5034 PWs) bands (ev): -13.9674 -13.9674 -13.9462 -13.9462 -13.9012 -13.9012 -13.8993 -13.8993 -12.9613 -12.9613 -12.9449 -12.9449 -12.8927 -12.8927 -12.8704 -12.8704 -12.8343 -12.8343 -12.8274 -12.8274 -0.1905 -0.1905 1.0783 1.0783 5.2091 5.2091 5.3451 5.3451 5.7630 5.7630 6.3844 6.3844 7.1593 7.1593 7.6321 7.6321 10.1717 10.1717 10.2690 10.2690 10.4006 10.4006 k = 0.0000 0.7251 0.5455 ( 5036 PWs) bands (ev): -13.9663 -13.9663 -13.9472 -13.9472 -13.9010 -13.9010 -13.8993 -13.8993 -12.9603 -12.9603 -12.9451 -12.9451 -12.8925 -12.8925 -12.8718 -12.8718 -12.8342 -12.8342 -12.8277 -12.8277 -0.1397 -0.1397 1.0064 1.0064 5.2237 5.2237 5.3317 5.3317 5.7988 5.7988 6.3889 6.3889 7.1707 7.1707 7.5991 7.5991 10.2093 10.2093 10.3170 10.3170 10.4464 10.4464 k = 0.0000 0.7251 0.5658 ( 5030 PWs) bands (ev): -13.9653 -13.9653 -13.9482 -13.9482 -13.9008 -13.9008 -13.8992 -13.8992 -12.9593 -12.9593 -12.9455 -12.9455 -12.8922 -12.8922 -12.8733 -12.8733 -12.8339 -12.8339 -12.8279 -12.8279 -0.0872 -0.0872 0.9348 0.9348 5.2340 5.2340 5.3192 5.3192 5.8388 5.8388 6.3864 6.3864 7.1867 7.1867 7.5682 7.5682 10.2444 10.2444 10.3617 10.3617 10.4934 10.4934 k = 0.0000 0.7251 0.5860 ( 5030 PWs) bands (ev): -13.9642 -13.9642 -13.9492 -13.9492 -13.9006 -13.9006 -13.8992 -13.8992 -12.9583 -12.9583 -12.9459 -12.9459 -12.8917 -12.8917 -12.8748 -12.8748 -12.8336 -12.8336 -12.8282 -12.8282 -0.0331 -0.0331 0.8637 0.8637 5.2410 5.2410 5.3079 5.3079 5.8818 5.8818 6.3772 6.3772 7.2064 7.2064 7.5393 7.5393 10.2774 10.2774 10.4009 10.4009 10.5412 10.5412 k = 0.0000 0.7251 0.6062 ( 5032 PWs) bands (ev): -13.9631 -13.9631 -13.9502 -13.9502 -13.9004 -13.9004 -13.8992 -13.8992 -12.9573 -12.9573 -12.9464 -12.9464 -12.8911 -12.8911 -12.8763 -12.8763 -12.8333 -12.8333 -12.8285 -12.8285 0.0226 0.0226 0.7930 0.7930 5.2456 5.2456 5.2976 5.2976 5.9265 5.9265 6.3623 6.3623 7.2285 7.2285 7.5123 7.5123 10.3089 10.3089 10.4329 10.4329 10.5890 10.5890 k = 0.0000 0.7251 0.6264 ( 5032 PWs) bands (ev): -13.9620 -13.9620 -13.9513 -13.9513 -13.9002 -13.9002 -13.8992 -13.8992 -12.9563 -12.9563 -12.9471 -12.9471 -12.8903 -12.8903 -12.8778 -12.8778 -12.8329 -12.8329 -12.8289 -12.8289 0.0798 0.0798 0.7231 0.7231 5.2487 5.2487 5.2886 5.2886 5.9721 5.9721 6.3424 6.3424 7.2522 7.2522 7.4869 7.4869 10.3387 10.3387 10.4565 10.4565 10.6361 10.6361 k = 0.0000 0.7251 0.6466 ( 5040 PWs) bands (ev): -13.9610 -13.9610 -13.9523 -13.9523 -13.9001 -13.9001 -13.8992 -13.8992 -12.9553 -12.9553 -12.9478 -12.9478 -12.8895 -12.8895 -12.8793 -12.8793 -12.8325 -12.8325 -12.8293 -12.8293 0.1384 0.1384 0.6539 0.6539 5.2508 5.2508 5.2807 5.2807 6.0175 6.0175 6.3181 6.3181 7.2765 7.2765 7.4626 7.4626 10.3668 10.3668 10.4712 10.4712 10.6820 10.6820 k = 0.0000 0.7251 0.6668 ( 5036 PWs) bands (ev): -13.9599 -13.9599 -13.9534 -13.9534 -13.8999 -13.8999 -13.8993 -13.8993 -12.9542 -12.9542 -12.9486 -12.9486 -12.8885 -12.8885 -12.8808 -12.8808 -12.8321 -12.8321 -12.8296 -12.8296 0.1985 0.1985 0.5856 0.5856 5.2526 5.2526 5.2739 5.2739 6.0622 6.0622 6.2900 6.2900 7.3008 7.3008 7.4393 7.4393 10.3930 10.3930 10.4775 10.4775 10.7257 10.7257 k = 0.0000 0.7251 0.6870 ( 5028 PWs) bands (ev): -13.9588 -13.9588 -13.9545 -13.9545 -13.8998 -13.8998 -13.8993 -13.8993 -12.9532 -12.9532 -12.9494 -12.9494 -12.8874 -12.8874 -12.8822 -12.8822 -12.8317 -12.8317 -12.8300 -12.8300 0.2599 0.2599 0.5182 0.5182 5.2545 5.2545 5.2682 5.2682 6.1056 6.1056 6.2585 6.2585 7.3248 7.3248 7.4165 7.4165 10.4169 10.4169 10.4763 10.4763 10.7665 10.7665 k = 0.0000 0.7251 0.7072 ( 5032 PWs) bands (ev): -13.9577 -13.9577 -13.9555 -13.9555 -13.8996 -13.8996 -13.8994 -13.8994 -12.9522 -12.9522 -12.9503 -12.9503 -12.8862 -12.8862 -12.8836 -12.8836 -12.8313 -12.8313 -12.8305 -12.8305 0.3227 0.3227 0.4519 0.4519 5.2568 5.2568 5.2635 5.2635 6.1473 6.1473 6.2240 6.2240 7.3483 7.3483 7.3940 7.3940 10.4379 10.4379 10.4685 10.4685 10.8032 10.8032 k = 0.0000 0.7251 0.7274 ( 5028 PWs) bands (ev): -13.9566 -13.9566 -13.9566 -13.9566 -13.8995 -13.8995 -13.8995 -13.8995 -12.9512 -12.9512 -12.9512 -12.9512 -12.8849 -12.8849 -12.8849 -12.8849 -12.8309 -12.8309 -12.8309 -12.8309 0.3867 0.3867 0.3867 0.3867 5.2597 5.2597 5.2597 5.2597 6.1868 6.1868 6.1868 6.1868 7.3713 7.3713 7.3713 7.3713 10.4554 10.4554 10.4554 10.4554 10.8347 10.8347 k = 0.0000 0.7251 0.7274 ( 5028 PWs) bands (ev): -13.9566 -13.9566 -13.9566 -13.9566 -13.8995 -13.8995 -13.8995 -13.8995 -12.9512 -12.9512 -12.9512 -12.9512 -12.8849 -12.8849 -12.8849 -12.8849 -12.8309 -12.8309 -12.8309 -12.8309 0.3867 0.3867 0.3867 0.3867 5.2597 5.2597 5.2597 5.2597 6.1868 6.1868 6.1868 6.1868 7.3713 7.3713 7.3713 7.3713 10.4554 10.4554 10.4554 10.4554 10.8347 10.8347 k = 0.0193 0.7251 0.7274 ( 5030 PWs) bands (ev): -13.9566 -13.9566 -13.9566 -13.9566 -13.8996 -13.8996 -13.8994 -13.8994 -12.9513 -12.9513 -12.9512 -12.9512 -12.8850 -12.8850 -12.8849 -12.8849 -12.8309 -12.8309 -12.8309 -12.8309 0.3859 0.3859 0.3881 0.3881 5.2499 5.2499 5.2646 5.2646 6.1852 6.1852 6.1931 6.1931 7.3718 7.3718 7.3727 7.3727 10.4460 10.4460 10.4467 10.4467 10.8282 10.8282 k = 0.0387 0.7251 0.7274 ( 5032 PWs) bands (ev): -13.9566 -13.9566 -13.9566 -13.9566 -13.8997 -13.8997 -13.8994 -13.8994 -12.9513 -12.9513 -12.9512 -12.9512 -12.8850 -12.8850 -12.8848 -12.8848 -12.8309 -12.8309 -12.8308 -12.8308 0.3856 0.3856 0.3900 0.3900 5.2353 5.2353 5.2642 5.2642 6.1881 6.1881 6.2034 6.2034 7.3741 7.3741 7.3760 7.3760 10.4186 10.4186 10.4222 10.4222 10.8308 10.8308 k = 0.0580 0.7251 0.7274 ( 5034 PWs) bands (ev): -13.9566 -13.9566 -13.9566 -13.9566 -13.8997 -13.8997 -13.8993 -13.8993 -12.9513 -12.9513 -12.9511 -12.9511 -12.8851 -12.8851 -12.8848 -12.8848 -12.8309 -12.8309 -12.8308 -12.8308 0.3859 0.3859 0.3924 0.3924 5.2167 5.2167 5.2589 5.2589 6.1954 6.1954 6.2173 6.2173 7.3782 7.3782 7.3810 7.3810 10.3756 10.3756 10.3849 10.3849 10.8410 10.8410 k = 0.0773 0.7251 0.7274 ( 5032 PWs) bands (ev): -13.9567 -13.9567 -13.9565 -13.9565 -13.8998 -13.8998 -13.8992 -13.8992 -12.9514 -12.9514 -12.9511 -12.9511 -12.8851 -12.8851 -12.8847 -12.8847 -12.8310 -12.8310 -12.8308 -12.8308 0.3867 0.3867 0.3953 0.3953 5.1948 5.1948 5.2490 5.2490 6.2066 6.2066 6.2341 6.2341 7.3841 7.3841 7.3877 7.3877 10.3206 10.3206 10.3377 10.3377 10.8570 10.8570 k = 0.0967 0.7251 0.7274 ( 5032 PWs) bands (ev): -13.9567 -13.9567 -13.9565 -13.9565 -13.8999 -13.8999 -13.8991 -13.8991 -12.9514 -12.9514 -12.9510 -12.9510 -12.8852 -12.8852 -12.8847 -12.8847 -12.8310 -12.8310 -12.8308 -12.8308 0.3881 0.3881 0.3986 0.3986 5.1703 5.1703 5.2351 5.2351 6.2210 6.2210 6.2528 6.2528 7.3916 7.3916 7.3961 7.3961 10.2570 10.2570 10.2829 10.2829 10.8770 10.8770 k = 0.1160 0.7251 0.7274 ( 5026 PWs) bands (ev): -13.9567 -13.9567 -13.9565 -13.9565 -13.8999 -13.8999 -13.8991 -13.8991 -12.9514 -12.9514 -12.9510 -12.9510 -12.8852 -12.8852 -12.8846 -12.8846 -12.8310 -12.8310 -12.8308 -12.8308 0.3899 0.3899 0.4024 0.4024 5.1441 5.1441 5.2181 5.2181 6.2378 6.2378 6.2727 6.2727 7.4006 7.4006 7.4058 7.4058 10.1877 10.1877 10.2226 10.2226 10.8999 10.8999 k = 0.1353 0.7251 0.7274 ( 5032 PWs) bands (ev): -13.9567 -13.9567 -13.9565 -13.9565 -13.9000 -13.9000 -13.8990 -13.8990 -12.9514 -12.9514 -12.9510 -12.9510 -12.8852 -12.8852 -12.8846 -12.8846 -12.8310 -12.8310 -12.8308 -12.8308 0.3921 0.3921 0.4064 0.4064 5.1170 5.1170 5.1987 5.1987 6.2561 6.2561 6.2931 6.2931 7.4109 7.4109 7.4168 7.4168 10.1151 10.1151 10.1586 10.1586 10.9248 10.9248 k = 0.1547 0.7251 0.7274 ( 5030 PWs) bands (ev): -13.9567 -13.9567 -13.9565 -13.9565 -13.9001 -13.9001 -13.8990 -13.8990 -12.9514 -12.9514 -12.9509 -12.9509 -12.8853 -12.8853 -12.8845 -12.8845 -12.8311 -12.8311 -12.8308 -12.8308 0.3947 0.3947 0.4107 0.4107 5.0896 5.0896 5.1776 5.1776 6.2750 6.2750 6.3132 6.3132 7.4223 7.4223 7.4288 7.4288 10.0412 10.0412 10.0925 10.0925 10.9514 10.9514 k = 0.1740 0.7251 0.7274 ( 5030 PWs) bands (ev): -13.9567 -13.9567 -13.9565 -13.9565 -13.9001 -13.9001 -13.8989 -13.8989 -12.9514 -12.9514 -12.9509 -12.9509 -12.8853 -12.8853 -12.8845 -12.8845 -12.8311 -12.8311 -12.8307 -12.8307 0.3977 0.3977 0.4151 0.4151 5.0626 5.0626 5.1558 5.1558 6.2939 6.2939 6.3325 6.3325 7.4344 7.4344 7.4414 7.4414 9.9678 9.9678 10.0260 10.0260 10.9792 10.9792 k = 0.1933 0.7251 0.7274 ( 5038 PWs) bands (ev): -13.9567 -13.9567 -13.9564 -13.9564 -13.9002 -13.9002 -13.8989 -13.8989 -12.9514 -12.9514 -12.9509 -12.9509 -12.8853 -12.8853 -12.8845 -12.8845 -12.8311 -12.8311 -12.8307 -12.8307 0.4008 0.4008 0.4197 0.4197 5.0364 5.0364 5.1337 5.1337 6.3119 6.3119 6.3506 6.3506 7.4469 7.4469 7.4541 7.4541 9.8962 9.8962 9.9605 9.9605 11.0078 11.0078 k = 0.2127 0.7251 0.7274 ( 5048 PWs) bands (ev): -13.9567 -13.9567 -13.9564 -13.9564 -13.9002 -13.9002 -13.8988 -13.8988 -12.9514 -12.9514 -12.9509 -12.9509 -12.8853 -12.8853 -12.8844 -12.8844 -12.8312 -12.8312 -12.8307 -12.8307 0.4042 0.4042 0.4243 0.4243 5.0116 5.0116 5.1119 5.1119 6.3287 6.3287 6.3668 6.3668 7.4592 7.4592 7.4667 7.4667 9.8281 9.8281 9.8974 9.8974 11.0368 11.0368 k = 0.2320 0.7251 0.7274 ( 5050 PWs) bands (ev): -13.9567 -13.9567 -13.9564 -13.9564 -13.9002 -13.9002 -13.8988 -13.8988 -12.9514 -12.9514 -12.9508 -12.9508 -12.8853 -12.8853 -12.8844 -12.8844 -12.8312 -12.8312 -12.8307 -12.8307 0.4077 0.4077 0.4288 0.4288 4.9887 4.9887 5.0911 5.0911 6.3436 6.3436 6.3811 6.3811 7.4710 7.4710 7.4785 7.4785 9.7645 9.7645 9.8379 9.8379 11.0657 11.0657 k = 0.2513 0.7251 0.7274 ( 5044 PWs) bands (ev): -13.9566 -13.9566 -13.9564 -13.9564 -13.9003 -13.9003 -13.8988 -13.8988 -12.9514 -12.9514 -12.9508 -12.9508 -12.8853 -12.8853 -12.8844 -12.8844 -12.8312 -12.8312 -12.8307 -12.8307 0.4112 0.4112 0.4331 0.4331 4.9679 4.9679 5.0716 5.0716 6.3563 6.3563 6.3930 6.3930 7.4816 7.4816 7.4889 7.4889 9.7067 9.7067 9.7833 9.7833 11.0940 11.0940 k = 0.2706 0.7251 0.7274 ( 5048 PWs) bands (ev): -13.9566 -13.9566 -13.9564 -13.9564 -13.9003 -13.9003 -13.8987 -13.8987 -12.9514 -12.9514 -12.9508 -12.9508 -12.8853 -12.8853 -12.8843 -12.8843 -12.8313 -12.8313 -12.8307 -12.8307 0.4146 0.4146 0.4371 0.4371 4.9496 4.9496 5.0538 5.0538 6.3666 6.3666 6.4026 6.4026 7.4905 7.4905 7.4975 7.4975 9.6556 9.6556 9.7345 9.7345 11.1211 11.1211 k = 0.2900 0.7251 0.7274 ( 5042 PWs) bands (ev): -13.9566 -13.9566 -13.9564 -13.9564 -13.9003 -13.9003 -13.8987 -13.8987 -12.9514 -12.9514 -12.9508 -12.9508 -12.8853 -12.8853 -12.8843 -12.8843 -12.8313 -12.8313 -12.8307 -12.8307 0.4180 0.4180 0.4409 0.4409 4.9341 4.9341 5.0380 5.0380 6.3743 6.3743 6.4095 6.4095 7.4971 7.4971 7.5037 7.5037 9.6122 9.6122 9.6926 9.6926 11.1466 11.1466 k = 0.2900 0.7251 0.7274 ( 5042 PWs) bands (ev): -13.9566 -13.9566 -13.9564 -13.9564 -13.9003 -13.9003 -13.8987 -13.8987 -12.9514 -12.9514 -12.9508 -12.9508 -12.8853 -12.8853 -12.8843 -12.8843 -12.8313 -12.8313 -12.8307 -12.8307 0.4180 0.4180 0.4409 0.4409 4.9341 4.9341 5.0380 5.0380 6.3743 6.3743 6.4095 6.4095 7.4971 7.4971 7.5037 7.5037 9.6122 9.6122 9.6926 9.6926 11.1466 11.1466 k = 0.2825 0.7065 0.7274 ( 5042 PWs) bands (ev): -13.9567 -13.9567 -13.9564 -13.9564 -13.9003 -13.9003 -13.8988 -13.8988 -12.9514 -12.9514 -12.9508 -12.9508 -12.8853 -12.8853 -12.8844 -12.8844 -12.8312 -12.8312 -12.8307 -12.8307 0.4092 0.4092 0.4312 0.4312 4.9732 4.9732 5.0787 5.0787 6.3559 6.3559 6.3928 6.3928 7.4831 7.4831 7.4912 7.4912 9.7218 9.7218 9.7991 9.7991 11.0704 11.0704 k = 0.2751 0.6879 0.7274 ( 5054 PWs) bands (ev): -13.9567 -13.9567 -13.9564 -13.9564 -13.9003 -13.9003 -13.8988 -13.8988 -12.9515 -12.9515 -12.9508 -12.9508 -12.8854 -12.8854 -12.8844 -12.8844 -12.8311 -12.8311 -12.8308 -12.8308 0.4011 0.4011 0.4222 0.4222 5.0116 5.0116 5.1187 5.1187 6.3360 6.3360 6.3743 6.3743 7.4703 7.4703 7.4803 7.4803 9.8310 9.8310 9.9049 9.9049 10.9823 10.9823 k = 0.2677 0.6693 0.7274 ( 5054 PWs) bands (ev): -13.9567 -13.9567 -13.9564 -13.9564 -13.9003 -13.9003 -13.8988 -13.8988 -12.9515 -12.9515 -12.9508 -12.9508 -12.8854 -12.8854 -12.8845 -12.8845 -12.8310 -12.8310 -12.8308 -12.8308 0.3937 0.3937 0.4137 0.4137 5.0492 5.0492 5.1576 5.1576 6.3152 6.3152 6.3544 6.3544 7.4581 7.4581 7.4704 7.4704 9.9393 9.9393 10.0096 10.0096 10.8884 10.8884 k = 0.2602 0.6507 0.7274 ( 5054 PWs) bands (ev): -13.9568 -13.9568 -13.9564 -13.9564 -13.9002 -13.9002 -13.8989 -13.8989 -12.9516 -12.9516 -12.9509 -12.9509 -12.8854 -12.8854 -12.8845 -12.8845 -12.8309 -12.8309 -12.8309 -12.8309 0.3869 0.3869 0.4060 0.4060 5.0855 5.0855 5.1950 5.1950 6.2936 6.2936 6.3334 6.3334 7.4461 7.4461 7.4609 7.4609 10.0456 10.0456 10.1124 10.1124 10.7937 10.7937 k = 0.2528 0.6322 0.7274 ( 5046 PWs) bands (ev): -13.9568 -13.9568 -13.9564 -13.9564 -13.9002 -13.9002 -13.8989 -13.8989 -12.9516 -12.9516 -12.9509 -12.9509 -12.8854 -12.8854 -12.8845 -12.8845 -12.8309 -12.8309 -12.8308 -12.8308 0.3809 0.3809 0.3989 0.3989 5.1203 5.1203 5.2306 5.2306 6.2717 6.2717 6.3116 6.3116 7.4338 7.4338 7.4515 7.4515 10.1481 10.1481 10.2125 10.2125 10.7031 10.7031 k = 0.2454 0.6136 0.7274 ( 5046 PWs) bands (ev): -13.9569 -13.9569 -13.9564 -13.9564 -13.9001 -13.9001 -13.8989 -13.8989 -12.9517 -12.9517 -12.9509 -12.9509 -12.8854 -12.8854 -12.8844 -12.8844 -12.8310 -12.8310 -12.8308 -12.8308 0.3757 0.3757 0.3926 0.3926 5.1533 5.1533 5.2639 5.2639 6.2497 6.2497 6.2892 6.2892 7.4209 7.4209 7.4416 7.4416 10.2420 10.2420 10.3075 10.3075 10.6232 10.6232 k = 0.2379 0.5950 0.7274 ( 5042 PWs) bands (ev): -13.9569 -13.9569 -13.9564 -13.9564 -13.9001 -13.9001 -13.8989 -13.8989 -12.9517 -12.9517 -12.9509 -12.9509 -12.8854 -12.8854 -12.8844 -12.8844 -12.8310 -12.8310 -12.8307 -12.8307 0.3712 0.3712 0.3870 0.3870 5.1842 5.1842 5.2947 5.2947 6.2280 6.2280 6.2666 6.2666 7.4070 7.4070 7.4310 7.4310 10.3130 10.3130 10.3903 10.3903 10.5696 10.5696 k = 0.2305 0.5764 0.7274 ( 5042 PWs) bands (ev): -13.9569 -13.9569 -13.9564 -13.9564 -13.9000 -13.9000 -13.8989 -13.8989 -12.9517 -12.9517 -12.9509 -12.9509 -12.8854 -12.8854 -12.8844 -12.8844 -12.8311 -12.8311 -12.8306 -12.8306 0.3676 0.3676 0.3822 0.3822 5.2126 5.2126 5.3225 5.3225 6.2068 6.2068 6.2439 6.2439 7.3919 7.3919 7.4194 7.4194 10.3286 10.3286 10.4277 10.4277 10.5752 10.5752 k = 0.2231 0.5578 0.7274 ( 5034 PWs) bands (ev): -13.9569 -13.9569 -13.9564 -13.9564 -13.8999 -13.8999 -13.8988 -13.8988 -12.9517 -12.9517 -12.9509 -12.9509 -12.8853 -12.8853 -12.8843 -12.8843 -12.8312 -12.8312 -12.8305 -12.8305 0.3647 0.3647 0.3782 0.3782 5.2385 5.2385 5.3469 5.3469 6.1865 6.1865 6.2214 6.2214 7.3755 7.3755 7.4065 7.4065 10.2920 10.2920 10.3895 10.3895 10.6330 10.6330 k = 0.2156 0.5392 0.7274 ( 5026 PWs) bands (ev): -13.9570 -13.9570 -13.9564 -13.9564 -13.8998 -13.8998 -13.8988 -13.8988 -12.9518 -12.9518 -12.9509 -12.9509 -12.8852 -12.8852 -12.8843 -12.8843 -12.8312 -12.8312 -12.8304 -12.8304 0.3626 0.3626 0.3749 0.3749 5.2614 5.2614 5.3676 5.3676 6.1672 6.1672 6.1993 6.1993 7.3576 7.3576 7.3923 7.3923 10.2405 10.2405 10.3301 10.3301 10.7060 10.7060 k = 0.2082 0.5206 0.7274 ( 5034 PWs) bands (ev): -13.9570 -13.9570 -13.9564 -13.9564 -13.8997 -13.8997 -13.8988 -13.8988 -12.9518 -12.9518 -12.9509 -12.9509 -12.8852 -12.8852 -12.8842 -12.8842 -12.8313 -12.8313 -12.8304 -12.8304 0.3612 0.3612 0.3724 0.3724 5.2812 5.2812 5.3843 5.3843 6.1493 6.1493 6.1777 6.1777 7.3384 7.3384 7.3766 7.3766 10.1898 10.1898 10.2727 10.2727 10.7791 10.7791 k = 0.2008 0.5020 0.7274 ( 5022 PWs) bands (ev): -13.9570 -13.9570 -13.9563 -13.9563 -13.8996 -13.8996 -13.8987 -13.8987 -12.9518 -12.9518 -12.9508 -12.9508 -12.8851 -12.8851 -12.8841 -12.8841 -12.8313 -12.8313 -12.8303 -12.8303 0.3606 0.3606 0.3706 0.3706 5.2977 5.2977 5.3968 5.3968 6.1328 6.1328 6.1569 6.1569 7.3177 7.3177 7.3594 7.3594 10.1449 10.1449 10.2219 10.2219 10.8467 10.8467 k = 0.1933 0.4834 0.7274 ( 5022 PWs) bands (ev): -13.9570 -13.9570 -13.9563 -13.9563 -13.8995 -13.8995 -13.8987 -13.8987 -12.9518 -12.9518 -12.9508 -12.9508 -12.8850 -12.8850 -12.8840 -12.8840 -12.8314 -12.8314 -12.8303 -12.8303 0.3606 0.3606 0.3696 0.3696 5.3108 5.3108 5.4049 5.4049 6.1180 6.1180 6.1369 6.1369 7.2959 7.2959 7.3408 7.3408 10.1073 10.1073 10.1791 10.1791 10.9067 10.9067 k = 0.1859 0.4648 0.7274 ( 5026 PWs) bands (ev): -13.9570 -13.9570 -13.9563 -13.9563 -13.8994 -13.8994 -13.8986 -13.8986 -12.9518 -12.9518 -12.9508 -12.9508 -12.8848 -12.8848 -12.8839 -12.8839 -12.8315 -12.8315 -12.8302 -12.8302 0.3613 0.3613 0.3692 0.3692 5.3204 5.3204 5.4086 5.4086 6.1047 6.1047 6.1179 6.1179 7.2731 7.2731 7.3210 7.3210 10.0778 10.0778 10.1446 10.1446 10.9579 10.9579 k = 0.1785 0.4462 0.7274 ( 5026 PWs) bands (ev): -13.9570 -13.9570 -13.9563 -13.9563 -13.8992 -13.8992 -13.8986 -13.8986 -12.9518 -12.9518 -12.9508 -12.9508 -12.8847 -12.8847 -12.8838 -12.8838 -12.8315 -12.8315 -12.8302 -12.8302 0.3627 0.3627 0.3695 0.3695 5.3265 5.3265 5.4079 5.4079 6.0931 6.0931 6.1000 6.1000 7.2495 7.2495 7.3000 7.3000 10.0563 10.0563 10.1185 10.1185 10.9994 10.9994 k = 0.1710 0.4276 0.7274 ( 5030 PWs) bands (ev): -13.9570 -13.9570 -13.9563 -13.9563 -13.8991 -13.8991 -13.8985 -13.8985 -12.9518 -12.9518 -12.9508 -12.9508 -12.8846 -12.8846 -12.8837 -12.8837 -12.8316 -12.8316 -12.8302 -12.8302 0.3646 0.3646 0.3704 0.3704 5.3291 5.3291 5.4032 5.4032 6.0828 6.0828 6.0832 6.0832 7.2255 7.2255 7.2783 7.2783 10.0428 10.0428 10.1006 10.1006 11.0311 11.0311 k = 0.1636 0.4090 0.7274 ( 5030 PWs) bands (ev): -13.9570 -13.9570 -13.9563 -13.9563 -13.8990 -13.8990 -13.8984 -13.8984 -12.9517 -12.9517 -12.9508 -12.9508 -12.8844 -12.8844 -12.8836 -12.8836 -12.8316 -12.8316 -12.8302 -12.8302 0.3671 0.3671 0.3718 0.3718 5.3283 5.3283 5.3948 5.3948 6.0674 6.0674 6.0737 6.0737 7.2015 7.2015 7.2560 7.2560 10.0368 10.0368 10.0905 10.0905 11.0534 11.0534 k = 0.1561 0.3904 0.7274 ( 5018 PWs) bands (ev): -13.9570 -13.9570 -13.9563 -13.9563 -13.8988 -13.8988 -13.8983 -13.8983 -12.9517 -12.9517 -12.9508 -12.9508 -12.8843 -12.8843 -12.8834 -12.8834 -12.8316 -12.8316 -12.8301 -12.8301 0.3700 0.3700 0.3738 0.3738 5.3245 5.3245 5.3831 5.3831 6.0527 6.0527 6.0654 6.0654 7.1777 7.1777 7.2334 7.2334 10.0379 10.0379 10.0877 10.0877 11.0672 11.0672 k = 0.1487 0.3719 0.7274 ( 5018 PWs) bands (ev): -13.9570 -13.9570 -13.9563 -13.9563 -13.8987 -13.8987 -13.8982 -13.8982 -12.9517 -12.9517 -12.9508 -12.9508 -12.8841 -12.8841 -12.8833 -12.8833 -12.8317 -12.8317 -12.8301 -12.8301 0.3733 0.3733 0.3762 0.3762 5.3178 5.3178 5.3686 5.3686 6.0389 6.0389 6.0576 6.0576 7.1546 7.1546 7.2109 7.2109 10.0454 10.0454 10.0915 10.0915 11.0734 11.0734 k = 0.1413 0.3533 0.7274 ( 5022 PWs) bands (ev): -13.9570 -13.9570 -13.9563 -13.9563 -13.8986 -13.8986 -13.8981 -13.8981 -12.9517 -12.9517 -12.9508 -12.9508 -12.8840 -12.8840 -12.8831 -12.8831 -12.8317 -12.8317 -12.8301 -12.8301 0.3769 0.3769 0.3790 0.3790 5.3086 5.3086 5.3518 5.3518 6.0258 6.0258 6.0499 6.0499 7.1325 7.1325 7.1888 7.1888 10.0585 10.0585 10.1012 10.1012 11.0732 11.0732 k = 0.1338 0.3347 0.7274 ( 5024 PWs) bands (ev): -13.9570 -13.9570 -13.9563 -13.9563 -13.8984 -13.8984 -13.8980 -13.8980 -12.9517 -12.9517 -12.9508 -12.9508 -12.8838 -12.8838 -12.8830 -12.8830 -12.8317 -12.8317 -12.8301 -12.8301 0.3809 0.3809 0.3822 0.3822 5.2973 5.2973 5.3333 5.3333 6.0133 6.0133 6.0420 6.0420 7.1117 7.1117 7.1675 7.1675 10.0766 10.0766 10.1161 10.1161 11.0679 11.0679 k = 0.1264 0.3161 0.7274 ( 5016 PWs) bands (ev): -13.9570 -13.9570 -13.9562 -13.9562 -13.8983 -13.8983 -13.8979 -13.8979 -12.9516 -12.9516 -12.9507 -12.9507 -12.8836 -12.8836 -12.8829 -12.8829 -12.8317 -12.8317 -12.8301 -12.8301 0.3850 0.3850 0.3856 0.3856 5.2844 5.2844 5.3136 5.3136 6.0012 6.0012 6.0337 6.0337 7.0924 7.0924 7.1472 7.1472 10.0987 10.0987 10.1353 10.1353 11.0585 11.0585 k = 0.1190 0.2975 0.7274 ( 5016 PWs) bands (ev): -13.9570 -13.9570 -13.9562 -13.9562 -13.8981 -13.8981 -13.8979 -13.8979 -12.9516 -12.9516 -12.9507 -12.9507 -12.8834 -12.8834 -12.8827 -12.8827 -12.8318 -12.8318 -12.8302 -12.8302 0.3893 0.3893 0.3893 0.3893 5.2701 5.2701 5.2932 5.2932 5.9893 5.9893 6.0247 6.0247 7.0750 7.0750 7.1280 7.1280 10.1240 10.1240 10.1579 10.1579 11.0458 11.0458 k = 0.1115 0.2789 0.7274 ( 5026 PWs) bands (ev): -13.9569 -13.9569 -13.9563 -13.9563 -13.8980 -13.8980 -13.8978 -13.8978 -12.9515 -12.9515 -12.9507 -12.9507 -12.8833 -12.8833 -12.8826 -12.8826 -12.8318 -12.8318 -12.8302 -12.8302 0.3931 0.3931 0.3937 0.3937 5.2550 5.2550 5.2726 5.2726 5.9776 5.9776 6.0149 6.0149 7.0595 7.0595 7.1104 7.1104 10.1517 10.1517 10.1831 10.1831 11.0308 11.0308 k = 0.1041 0.2603 0.7274 ( 5022 PWs) bands (ev): -13.9569 -13.9569 -13.9563 -13.9563 -13.8979 -13.8979 -13.8977 -13.8977 -12.9515 -12.9515 -12.9507 -12.9507 -12.8831 -12.8831 -12.8825 -12.8825 -12.8318 -12.8318 -12.8302 -12.8302 0.3970 0.3970 0.3981 0.3981 5.2393 5.2393 5.2521 5.2521 5.9660 5.9660 6.0044 6.0044 7.0459 7.0459 7.0942 7.0942 10.1808 10.1808 10.2100 10.2100 11.0139 11.0139 k = 0.0967 0.2417 0.7274 ( 5032 PWs) bands (ev): -13.9569 -13.9569 -13.9563 -13.9563 -13.8978 -13.8978 -13.8976 -13.8976 -12.9515 -12.9515 -12.9507 -12.9507 -12.8830 -12.8830 -12.8824 -12.8824 -12.8318 -12.8318 -12.8303 -12.8303 0.4009 0.4009 0.4025 0.4025 5.2235 5.2235 5.2320 5.2320 5.9544 5.9544 5.9931 5.9931 7.0344 7.0344 7.0798 7.0798 10.2107 10.2107 10.2377 10.2377 10.9959 10.9959 k = 0.0892 0.2231 0.7274 ( 5040 PWs) bands (ev): -13.9569 -13.9569 -13.9563 -13.9563 -13.8977 -13.8977 -13.8975 -13.8975 -12.9514 -12.9514 -12.9508 -12.9508 -12.8828 -12.8828 -12.8823 -12.8823 -12.8318 -12.8318 -12.8303 -12.8303 0.4049 0.4049 0.4067 0.4067 5.2079 5.2079 5.2128 5.2128 5.9429 5.9429 5.9811 5.9811 7.0248 7.0248 7.0669 7.0669 10.2404 10.2404 10.2654 10.2654 10.9772 10.9772 k = 0.0818 0.2045 0.7274 ( 5036 PWs) bands (ev): -13.9568 -13.9568 -13.9563 -13.9563 -13.8976 -13.8976 -13.8974 -13.8974 -12.9514 -12.9514 -12.9507 -12.9507 -12.8827 -12.8827 -12.8821 -12.8821 -12.8317 -12.8317 -12.8304 -12.8304 0.4087 0.4087 0.4108 0.4108 5.1927 5.1927 5.1947 5.1947 5.9315 5.9315 5.9686 5.9686 7.0170 7.0170 7.0557 7.0557 10.2693 10.2693 10.2924 10.2924 10.9583 10.9583 k = 0.0744 0.1859 0.7274 ( 5036 PWs) bands (ev): -13.9568 -13.9568 -13.9563 -13.9563 -13.8975 -13.8975 -13.8973 -13.8973 -12.9513 -12.9513 -12.9508 -12.9508 -12.8825 -12.8825 -12.8820 -12.8820 -12.8317 -12.8317 -12.8305 -12.8305 0.4125 0.4125 0.4147 0.4147 5.1778 5.1778 5.1782 5.1782 5.9204 5.9204 5.9557 5.9557 7.0109 7.0109 7.0460 7.0460 10.2968 10.2968 10.3180 10.3180 10.9397 10.9397 k = 0.0669 0.1673 0.7274 ( 5032 PWs) bands (ev): -13.9568 -13.9568 -13.9563 -13.9563 -13.8974 -13.8974 -13.8973 -13.8973 -12.9513 -12.9513 -12.9508 -12.9508 -12.8824 -12.8824 -12.8819 -12.8819 -12.8317 -12.8317 -12.8305 -12.8305 0.4161 0.4161 0.4183 0.4183 5.1623 5.1623 5.1645 5.1645 5.9098 5.9098 5.9429 5.9429 7.0064 7.0064 7.0378 7.0378 10.3224 10.3224 10.3417 10.3417 10.9218 10.9218 k = 0.0595 0.1487 0.7274 ( 5024 PWs) bands (ev): -13.9567 -13.9567 -13.9563 -13.9563 -13.8973 -13.8973 -13.8972 -13.8972 -12.9512 -12.9512 -12.9508 -12.9508 -12.8822 -12.8822 -12.8818 -12.8818 -12.8316 -12.8316 -12.8306 -12.8306 0.4194 0.4194 0.4217 0.4217 5.1484 5.1484 5.1519 5.1519 5.8998 5.8998 5.9302 5.9302 7.0031 7.0031 7.0309 7.0309 10.3457 10.3457 10.3631 10.3631 10.9050 10.9050 k = 0.0520 0.1301 0.7274 ( 5034 PWs) bands (ev): -13.9567 -13.9567 -13.9563 -13.9563 -13.8972 -13.8972 -13.8971 -13.8971 -12.9512 -12.9512 -12.9508 -12.9508 -12.8821 -12.8821 -12.8818 -12.8818 -12.8316 -12.8316 -12.8307 -12.8307 0.4225 0.4225 0.4247 0.4247 5.1362 5.1362 5.1404 5.1404 5.8905 5.8905 5.9179 5.9179 7.0010 7.0010 7.0251 7.0251 10.3664 10.3664 10.3819 10.3819 10.8895 10.8895 k = 0.0446 0.1116 0.7274 ( 5030 PWs) bands (ev): -13.9567 -13.9567 -13.9563 -13.9563 -13.8971 -13.8971 -13.8971 -13.8971 -12.9511 -12.9511 -12.9508 -12.9508 -12.8820 -12.8820 -12.8817 -12.8817 -12.8316 -12.8316 -12.8307 -12.8307 0.4253 0.4253 0.4273 0.4273 5.1256 5.1256 5.1301 5.1301 5.8824 5.8824 5.9064 5.9064 6.9998 6.9998 7.0203 7.0203 10.3844 10.3844 10.3980 10.3980 10.8758 10.8758 k = 0.0372 0.0930 0.7274 ( 5040 PWs) bands (ev): -13.9566 -13.9566 -13.9564 -13.9564 -13.8971 -13.8971 -13.8971 -13.8971 -12.9511 -12.9511 -12.9508 -12.9508 -12.8819 -12.8819 -12.8817 -12.8817 -12.8315 -12.8315 -12.8308 -12.8308 0.4278 0.4278 0.4295 0.4295 5.1168 5.1168 5.1212 5.1212 5.8754 5.8754 5.8958 5.8958 6.9994 6.9994 7.0163 7.0163 10.3997 10.3997 10.4112 10.4112 10.8641 10.8641 k = 0.0297 0.0744 0.7274 ( 5032 PWs) bands (ev): -13.9566 -13.9566 -13.9564 -13.9564 -13.8970 -13.8970 -13.8970 -13.8970 -12.9511 -12.9511 -12.9508 -12.9508 -12.8818 -12.8818 -12.8816 -12.8816 -12.8315 -12.8315 -12.8309 -12.8309 0.4298 0.4298 0.4313 0.4313 5.1097 5.1097 5.1137 5.1137 5.8698 5.8698 5.8864 5.8864 6.9996 6.9996 7.0130 7.0130 10.4123 10.4123 10.4216 10.4216 10.8546 10.8546 k = 0.0223 0.0558 0.7274 ( 5036 PWs) bands (ev): -13.9566 -13.9566 -13.9564 -13.9564 -13.8970 -13.8970 -13.8970 -13.8970 -12.9510 -12.9510 -12.9508 -12.9508 -12.8818 -12.8818 -12.8816 -12.8816 -12.8314 -12.8314 -12.8310 -12.8310 0.4315 0.4315 0.4327 0.4327 5.1044 5.1044 5.1077 5.1077 5.8658 5.8658 5.8784 5.8784 7.0002 7.0002 7.0102 7.0102 10.4222 10.4222 10.4293 10.4293 10.8475 10.8476 k = 0.0149 0.0372 0.7274 ( 5032 PWs) bands (ev): -13.9565 -13.9565 -13.9564 -13.9564 -13.8970 -13.8970 -13.8970 -13.8970 -12.9510 -12.9510 -12.9509 -12.9509 -12.8817 -12.8817 -12.8816 -12.8816 -12.8313 -12.8313 -12.8310 -12.8310 0.4328 0.4328 0.4336 0.4336 5.1009 5.1009 5.1032 5.1032 5.8634 5.8634 5.8719 5.8719 7.0012 7.0012 7.0078 7.0078 10.4296 10.4296 10.4343 10.4343 10.8431 10.8431 k = 0.0074 0.0186 0.7274 ( 5028 PWs) bands (ev): -13.9565 -13.9565 -13.9564 -13.9564 -13.8969 -13.8969 -13.8969 -13.8969 -12.9510 -12.9510 -12.9509 -12.9509 -12.8817 -12.8817 -12.8816 -12.8816 -12.8313 -12.8313 -12.8311 -12.8311 0.4337 0.4337 0.4341 0.4341 5.0990 5.0990 5.1002 5.1002 5.8628 5.8628 5.8671 5.8671 7.0025 7.0025 7.0058 7.0058 10.4344 10.4344 10.4368 10.4368 10.8412 10.8412 k = 0.0000 0.0000 0.7274 ( 5018 PWs) bands (ev): -13.9565 -13.9565 -13.9565 -13.9565 -13.8969 -13.8969 -13.8969 -13.8969 -12.9509 -12.9509 -12.9509 -12.9509 -12.8816 -12.8816 -12.8816 -12.8816 -12.8312 -12.8312 -12.8312 -12.8312 0.4341 0.4341 0.4341 0.4341 5.0988 5.0988 5.0988 5.0988 5.8641 5.8641 5.8641 5.8641 7.0040 7.0040 7.0040 7.0040 10.4369 10.4369 10.4369 10.4369 10.8421 10.8421 k = 0.0000 0.0000 0.7274 ( 5018 PWs) bands (ev): -13.9565 -13.9565 -13.9565 -13.9565 -13.8969 -13.8969 -13.8969 -13.8969 -12.9509 -12.9509 -12.9509 -12.9509 -12.8816 -12.8816 -12.8816 -12.8816 -12.8312 -12.8312 -12.8312 -12.8312 0.4341 0.4341 0.4341 0.4341 5.0988 5.0988 5.0988 5.0988 5.8641 5.8641 5.8641 5.8641 7.0040 7.0040 7.0040 7.0040 10.4369 10.4369 10.4369 10.4369 10.8421 10.8421 k = 0.0000 0.0000 0.7072 ( 5032 PWs) bands (ev): -13.9575 -13.9575 -13.9554 -13.9554 -13.8971 -13.8971 -13.8968 -13.8968 -12.9519 -12.9519 -12.9500 -12.9500 -12.8826 -12.8826 -12.8806 -12.8806 -12.8315 -12.8315 -12.8309 -12.8309 0.3440 0.3440 0.5244 0.5244 5.0250 5.0250 5.1761 5.1761 5.8397 5.8397 5.8923 5.8923 6.9672 6.9672 7.0415 7.0415 10.4154 10.4154 10.4480 10.4480 10.8372 10.8372 k = 0.0000 0.0000 0.6870 ( 5020 PWs) bands (ev): -13.9586 -13.9586 -13.9544 -13.9544 -13.8973 -13.8973 -13.8968 -13.8968 -12.9529 -12.9529 -12.9491 -12.9491 -12.8835 -12.8835 -12.8795 -12.8795 -12.8318 -12.8318 -12.8306 -12.8306 0.2542 0.2542 0.6145 0.6145 4.9554 4.9554 5.2562 5.2562 5.8193 5.8193 5.9244 5.9244 6.9313 6.9313 7.0797 7.0797 10.3864 10.3864 10.4458 10.4458 10.8276 10.8276 k = 0.0000 0.0000 0.6668 ( 5028 PWs) bands (ev): -13.9597 -13.9597 -13.9534 -13.9534 -13.8975 -13.8975 -13.8967 -13.8967 -12.9540 -12.9540 -12.9483 -12.9483 -12.8844 -12.8844 -12.8784 -12.8784 -12.8321 -12.8321 -12.8304 -12.8304 0.1652 0.1652 0.7040 0.7040 4.8905 4.8905 5.3383 5.3383 5.8030 5.8030 5.9602 5.9602 6.8965 6.8965 7.1184 7.1184 10.3517 10.3517 10.4272 10.4272 10.8140 10.8140 k = 0.0000 0.0000 0.6466 ( 5026 PWs) bands (ev): -13.9607 -13.9607 -13.9524 -13.9524 -13.8977 -13.8977 -13.8967 -13.8967 -12.9550 -12.9550 -12.9476 -12.9476 -12.8853 -12.8853 -12.8773 -12.8773 -12.8324 -12.8324 -12.8301 -12.8301 0.0772 0.0772 0.7924 0.7924 4.8309 4.8309 5.4211 5.4211 5.7914 5.7914 5.9999 5.9999 6.8632 6.8632 7.1576 7.1576 10.3129 10.3129 10.3901 10.3901 10.7969 10.7969 k = 0.0000 0.0000 0.6264 ( 5026 PWs) bands (ev): -13.9618 -13.9618 -13.9515 -13.9515 -13.8980 -13.8980 -13.8968 -13.8968 -12.9561 -12.9561 -12.9469 -12.9469 -12.8861 -12.8861 -12.8761 -12.8761 -12.8327 -12.8327 -12.8299 -12.8299 -0.0096 -0.0096 0.8793 0.8793 4.7772 4.7772 5.5028 5.5028 5.7853 5.7853 6.0435 6.0435 6.8318 6.8318 7.1972 7.1972 10.2708 10.2708 10.3345 10.3345 10.7768 10.7768 k = 0.0000 0.0000 0.6062 ( 5022 PWs) bands (ev): -13.9629 -13.9629 -13.9505 -13.9505 -13.8983 -13.8983 -13.8969 -13.8969 -12.9572 -12.9572 -12.9463 -12.9463 -12.8868 -12.8868 -12.8749 -12.8749 -12.8329 -12.8329 -12.8297 -12.8297 -0.0950 -0.0950 0.9642 0.9642 4.7301 4.7301 5.5797 5.5797 5.7874 5.7874 6.0908 6.0908 6.8029 6.8029 7.2371 7.2371 10.2250 10.2250 10.2635 10.2635 10.7537 10.7537 k = 0.0000 0.0000 0.5860 ( 5022 PWs) bands (ev): -13.9640 -13.9640 -13.9496 -13.9496 -13.8986 -13.8986 -13.8970 -13.8970 -12.9584 -12.9584 -12.9459 -12.9459 -12.8875 -12.8875 -12.8737 -12.8737 -12.8332 -12.8332 -12.8295 -12.8295 -0.1788 -0.1788 1.0465 1.0465 4.6900 4.6900 5.6444 5.6444 5.8036 5.8036 6.1421 6.1421 6.7776 6.7776 7.2774 7.2774 10.1624 10.1624 10.1939 10.1939 10.7277 10.7277 k = 0.0000 0.0000 0.5658 ( 5032 PWs) bands (ev): -13.9651 -13.9651 -13.9487 -13.9487 -13.8990 -13.8990 -13.8972 -13.8972 -12.9595 -12.9595 -12.9455 -12.9455 -12.8881 -12.8881 -12.8724 -12.8724 -12.8335 -12.8335 -12.8293 -12.8293 -0.2608 -0.2608 1.1257 1.1257 4.6576 4.6576 5.6874 5.6874 5.8417 5.8417 6.1971 6.1971 6.7572 6.7572 7.3178 7.3178 10.0694 10.0694 10.1437 10.1437 10.6984 10.6984 k = 0.0000 0.0000 0.5455 ( 5033 PWs) bands (ev): -13.9662 -13.9662 -13.9478 -13.9478 -13.8994 -13.8994 -13.8974 -13.8974 -12.9606 -12.9606 -12.9451 -12.9451 -12.8887 -12.8887 -12.8712 -12.8712 -12.8337 -12.8337 -12.8291 -12.8291 -0.3410 -0.3410 1.2012 1.2012 4.6335 4.6335 5.7106 5.7106 5.8975 5.8975 6.2560 6.2560 6.7438 6.7438 7.3582 7.3582 9.9650 9.9650 10.0973 10.0973 10.6654 10.6654 k = 0.0000 0.0000 0.5253 ( 5037 PWs) bands (ev): -13.9673 -13.9673 -13.9470 -13.9470 -13.8997 -13.8997 -13.8977 -13.8977 -12.9617 -12.9617 -12.9449 -12.9449 -12.8892 -12.8892 -12.8700 -12.8700 -12.8340 -12.8340 -12.8290 -12.8290 -0.4191 -0.4191 1.2723 1.2723 4.6182 4.6182 5.7248 5.7248 5.9570 5.9570 6.3185 6.3185 6.7400 6.7400 7.3986 7.3986 9.8556 9.8556 10.0520 10.0520 10.6284 10.6284 k = 0.0000 0.0000 0.5051 ( 5039 PWs) bands (ev): -13.9684 -13.9684 -13.9461 -13.9461 -13.9001 -13.9001 -13.8980 -13.8980 -12.9628 -12.9628 -12.9448 -12.9448 -12.8896 -12.8896 -12.8687 -12.8687 -12.8342 -12.8342 -12.8288 -12.8288 -0.4950 -0.4950 1.3386 1.3386 4.6124 4.6124 5.7367 5.7367 6.0104 6.0104 6.3843 6.3843 6.7491 6.7491 7.4386 7.4386 9.7439 9.7439 10.0076 10.0076 10.5881 10.5881 k = 0.0000 0.0000 0.4849 ( 5037 PWs) bands (ev): -13.9695 -13.9695 -13.9453 -13.9453 -13.9005 -13.9005 -13.8984 -13.8984 -12.9638 -12.9638 -12.9447 -12.9447 -12.8901 -12.8901 -12.8675 -12.8675 -12.8344 -12.8344 -12.8287 -12.8287 -0.5687 -0.5687 1.3996 1.3996 4.6164 4.6164 5.7488 5.7488 6.0520 6.0520 6.4529 6.4529 6.7740 6.7740 7.4781 7.4781 9.6319 9.6319 9.9645 9.9645 10.5453 10.5453 k = 0.0000 0.0000 0.4647 ( 5049 PWs) bands (ev): -13.9705 -13.9705 -13.9445 -13.9445 -13.9009 -13.9009 -13.8988 -13.8988 -12.9649 -12.9649 -12.9448 -12.9448 -12.8904 -12.8904 -12.8662 -12.8662 -12.8346 -12.8346 -12.8286 -12.8286 -0.6399 -0.6399 1.4549 1.4549 4.6306 4.6306 5.7621 5.7621 6.0791 6.0791 6.5242 6.5242 6.8162 6.8162 7.5167 7.5167 9.5212 9.5212 9.9231 9.9231 10.5004 10.5004 k = 0.0000 0.0000 0.4445 ( 5049 PWs) bands (ev): -13.9716 -13.9716 -13.9438 -13.9438 -13.9014 -13.9014 -13.8992 -13.8992 -12.9659 -12.9659 -12.9449 -12.9449 -12.8908 -12.8908 -12.8650 -12.8650 -12.8348 -12.8348 -12.8284 -12.8284 -0.7088 -0.7088 1.5041 1.5041 4.6553 4.6553 5.7769 5.7769 6.0917 6.0917 6.5980 6.5980 6.8748 6.8748 7.5541 7.5541 9.4130 9.4130 9.8839 9.8839 10.4540 10.4540 k = 0.0000 0.0000 0.4243 ( 5045 PWs) bands (ev): -13.9726 -13.9726 -13.9430 -13.9430 -13.9018 -13.9018 -13.8996 -13.8996 -12.9668 -12.9668 -12.9451 -12.9451 -12.8911 -12.8911 -12.8638 -12.8638 -12.8350 -12.8350 -12.8283 -12.8283 -0.7751 -0.7751 1.5472 1.5472 4.6905 4.6905 5.7933 5.7933 6.0918 6.0918 6.6747 6.6747 6.9468 6.9468 7.5896 7.5896 9.3087 9.3087 9.8474 9.8474 10.4064 10.4064 k = 0.0000 0.0000 0.4041 ( 5045 PWs) bands (ev): -13.9736 -13.9736 -13.9423 -13.9423 -13.9022 -13.9022 -13.9001 -13.9001 -12.9677 -12.9677 -12.9453 -12.9453 -12.8914 -12.8914 -12.8626 -12.8626 -12.8352 -12.8352 -12.8281 -12.8281 -0.8387 -0.8387 1.5841 1.5841 4.7361 4.7361 5.8111 5.8111 6.0824 6.0824 6.7545 6.7545 7.0286 7.0286 7.6227 7.6227 9.2091 9.2091 9.8143 9.8143 10.3581 10.3581 k = 0.0000 0.0000 0.3839 ( 5043 PWs) bands (ev): -13.9745 -13.9745 -13.9416 -13.9416 -13.9026 -13.9026 -13.9006 -13.9006 -12.9686 -12.9686 -12.9457 -12.9457 -12.8917 -12.8917 -12.8614 -12.8614 -12.8354 -12.8354 -12.8279 -12.8279 -0.8997 -0.8997 1.6149 1.6149 4.7919 4.7919 5.8302 5.8302 6.0662 6.0662 6.8373 6.8373 7.1165 7.1165 7.6526 7.6526 9.1156 9.1156 9.7853 9.7853 10.3094 10.3094 k = 0.0000 0.0000 0.3637 ( 5059 PWs) bands (ev): -13.9755 -13.9755 -13.9409 -13.9409 -13.9030 -13.9030 -13.9011 -13.9011 -12.9695 -12.9695 -12.9460 -12.9460 -12.8919 -12.8919 -12.8603 -12.8603 -12.8356 -12.8356 -12.8277 -12.8277 -0.9579 -0.9579 1.6400 1.6400 4.8575 4.8575 5.8502 5.8502 6.0457 6.0457 6.9231 6.9231 7.2077 7.2077 7.6783 7.6783 9.0290 9.0290 9.7610 9.7610 10.2606 10.2606 k = 0.0000 0.0000 0.3435 ( 5051 PWs) bands (ev): -13.9764 -13.9764 -13.9403 -13.9403 -13.9035 -13.9035 -13.9016 -13.9016 -12.9702 -12.9702 -12.9464 -12.9464 -12.8921 -12.8921 -12.8592 -12.8592 -12.8358 -12.8358 -12.8275 -12.8275 -1.0132 -1.0132 1.6598 1.6598 4.9322 4.9322 5.8705 5.8705 6.0230 6.0230 7.0116 7.0116 7.2999 7.2999 7.6987 7.6987 8.9506 8.9506 9.7423 9.7423 10.2121 10.2121 k = 0.0000 0.0000 0.3233 ( 5047 PWs) bands (ev): -13.9773 -13.9773 -13.9396 -13.9396 -13.9039 -13.9039 -13.9022 -13.9022 -12.9710 -12.9710 -12.9469 -12.9469 -12.8924 -12.8924 -12.8581 -12.8581 -12.8361 -12.8361 -12.8272 -12.8272 -1.0657 -1.0657 1.6747 1.6747 5.0154 5.0154 5.8897 5.8897 6.0005 6.0005 7.1025 7.1025 7.3912 7.3912 7.7127 7.7127 8.8815 8.8815 9.7298 9.7298 10.1641 10.1641 k = 0.0000 0.0000 0.3031 ( 5043 PWs) bands (ev): -13.9781 -13.9781 -13.9390 -13.9390 -13.9043 -13.9043 -13.9027 -13.9027 -12.9716 -12.9716 -12.9473 -12.9473 -12.8926 -12.8926 -12.8570 -12.8570 -12.8363 -12.8363 -12.8269 -12.8269 -1.1153 -1.1153 1.6853 1.6853 5.1063 5.1063 5.9039 5.9039 5.9829 5.9829 7.1954 7.1954 7.4799 7.4799 7.7191 7.7191 8.8227 8.8227 9.7243 9.7243 10.1170 10.1170 k = 0.0000 0.0000 0.2829 ( 5043 PWs) bands (ev): -13.9789 -13.9789 -13.9384 -13.9384 -13.9047 -13.9047 -13.9032 -13.9032 -12.9723 -12.9723 -12.9478 -12.9478 -12.8928 -12.8928 -12.8560 -12.8560 -12.8366 -12.8366 -12.8266 -12.8266 -1.1618 -1.1618 1.6922 1.6922 5.2040 5.2040 5.9045 5.9045 5.9793 5.9793 7.2898 7.2898 7.5646 7.5646 7.7171 7.7171 8.7751 8.7751 9.7264 9.7264 10.0711 10.0711 k = 0.0000 0.0000 0.2627 ( 5043 PWs) bands (ev): -13.9796 -13.9796 -13.9379 -13.9379 -13.9052 -13.9052 -13.9036 -13.9036 -12.9729 -12.9729 -12.9483 -12.9483 -12.8929 -12.8929 -12.8550 -12.8550 -12.8370 -12.8370 -12.8263 -12.8263 -1.2054 -1.2054 1.6960 1.6960 5.3075 5.3075 5.8898 5.8898 5.9918 5.9918 7.3845 7.3845 7.6439 7.6439 7.7065 7.7065 8.7389 8.7389 9.7366 9.7366 10.0266 10.0266 k = 0.0000 0.0000 0.2425 ( 5043 PWs) bands (ev): -13.9803 -13.9803 -13.9373 -13.9373 -13.9056 -13.9056 -13.9041 -13.9041 -12.9734 -12.9734 -12.9489 -12.9489 -12.8931 -12.8931 -12.8541 -12.8541 -12.8373 -12.8373 -12.8260 -12.8260 -1.2459 -1.2459 1.6972 1.6972 5.4155 5.4155 5.8689 5.8689 6.0117 6.0117 7.4773 7.4773 7.6874 7.6874 7.7184 7.7184 8.7138 8.7138 9.7551 9.7551 9.9839 9.9839 k = 0.0000 0.0000 0.2223 ( 5055 PWs) bands (ev): -13.9810 -13.9810 -13.9368 -13.9368 -13.9061 -13.9061 -13.9045 -13.9045 -12.9739 -12.9739 -12.9494 -12.9494 -12.8933 -12.8933 -12.8532 -12.8532 -12.8377 -12.8377 -12.8256 -12.8256 -1.2832 -1.2832 1.6963 1.6963 5.5266 5.5266 5.8477 5.8477 6.0341 6.0341 7.5570 7.5570 7.6741 7.6741 7.7840 7.7840 8.6990 8.6990 9.7816 9.7816 9.9433 9.9433 k = 0.0000 0.0000 0.2021 ( 5063 PWs) bands (ev): -13.9816 -13.9816 -13.9364 -13.9364 -13.9066 -13.9066 -13.9048 -13.9048 -12.9744 -12.9744 -12.9499 -12.9499 -12.8935 -12.8935 -12.8523 -12.8523 -12.8381 -12.8381 -12.8253 -12.8253 -1.3175 -1.3175 1.6940 1.6940 5.6371 5.6371 5.8303 5.8303 6.0574 6.0574 7.5753 7.5753 7.7124 7.7124 7.8427 7.8427 8.6928 8.6928 9.8154 9.8154 9.9052 9.9052 k = 0.0000 0.0000 0.1818 ( 5071 PWs) bands (ev): -13.9822 -13.9822 -13.9359 -13.9359 -13.9071 -13.9071 -13.9051 -13.9051 -12.9748 -12.9748 -12.9503 -12.9503 -12.8936 -12.8936 -12.8514 -12.8514 -12.8385 -12.8385 -12.8250 -12.8250 -1.3486 -1.3486 1.6905 1.6905 5.7301 5.7301 5.8332 5.8332 6.0811 6.0811 7.5394 7.5394 7.7957 7.7957 7.8937 7.8937 8.6936 8.6936 9.8527 9.8527 9.8723 9.8723 k = 0.0000 0.0000 0.1616 ( 5055 PWs) bands (ev): -13.9827 -13.9827 -13.9355 -13.9355 -13.9075 -13.9075 -13.9054 -13.9054 -12.9751 -12.9751 -12.9508 -12.9508 -12.8937 -12.8937 -12.8506 -12.8506 -12.8389 -12.8389 -12.8246 -12.8246 -1.3764 -1.3764 1.6864 1.6864 5.7546 5.7546 5.9055 5.9055 6.1060 6.1060 7.4875 7.4875 7.8858 7.8858 7.9371 7.9371 8.6994 8.6994 9.8349 9.8349 9.9014 9.9014 k = 0.0000 0.0000 0.1414 ( 5051 PWs) bands (ev): -13.9831 -13.9831 -13.9351 -13.9351 -13.9080 -13.9080 -13.9056 -13.9056 -12.9754 -12.9754 -12.9512 -12.9512 -12.8939 -12.8939 -12.8498 -12.8498 -12.8393 -12.8393 -12.8243 -12.8243 -1.4011 -1.4011 1.6820 1.6820 5.7450 5.7450 6.0070 6.0070 6.1370 6.1370 7.4272 7.4272 7.9731 7.9731 7.9746 7.9746 8.7087 8.7087 9.8056 9.8056 9.9463 9.9463 k = 0.0000 0.0000 0.1212 ( 5055 PWs) bands (ev): -13.9835 -13.9835 -13.9348 -13.9348 -13.9084 -13.9084 -13.9058 -13.9058 -12.9756 -12.9756 -12.9515 -12.9515 -12.8940 -12.8940 -12.8491 -12.8491 -12.8398 -12.8398 -12.8241 -12.8241 -1.4225 -1.4225 1.6776 1.6776 5.7316 5.7316 6.0862 6.0862 6.1944 6.1944 7.3603 7.3603 8.0028 8.0028 8.0584 8.0584 8.7200 8.7200 9.7794 9.7794 9.9886 9.9886 k = 0.0000 0.0000 0.1010 ( 5059 PWs) bands (ev): -13.9839 -13.9839 -13.9345 -13.9345 -13.9087 -13.9087 -13.9060 -13.9060 -12.9759 -12.9759 -12.9518 -12.9518 -12.8941 -12.8941 -12.8484 -12.8484 -12.8402 -12.8402 -12.8238 -12.8238 -1.4407 -1.4407 1.6735 1.6735 5.7188 5.7188 6.1239 6.1239 6.2917 6.2917 7.2878 7.2878 8.0263 8.0263 8.1355 8.1355 8.7318 8.7318 9.7567 9.7567 10.0228 10.0228 k = 0.0000 0.0000 0.0808 ( 5055 PWs) bands (ev): -13.9841 -13.9841 -13.9342 -13.9342 -13.9090 -13.9090 -13.9061 -13.9061 -12.9760 -12.9760 -12.9521 -12.9521 -12.8941 -12.8941 -12.8478 -12.8478 -12.8406 -12.8406 -12.8236 -12.8236 -1.4555 -1.4555 1.6698 1.6698 5.7077 5.7077 6.1439 6.1439 6.4032 6.4032 7.2098 7.2098 8.0445 8.0445 8.2033 8.2033 8.7433 8.7433 9.7378 9.7378 10.0428 10.0428 k = 0.0000 0.0000 0.0606 ( 5051 PWs) bands (ev): -13.9844 -13.9844 -13.9340 -13.9340 -13.9092 -13.9092 -13.9062 -13.9062 -12.9762 -12.9762 -12.9523 -12.9523 -12.8942 -12.8942 -12.8473 -12.8473 -12.8410 -12.8410 -12.8235 -12.8235 -1.4671 -1.4671 1.6667 1.6667 5.6989 5.6989 6.1570 6.1570 6.5162 6.5162 7.1266 7.1266 8.0580 8.0580 8.2595 8.2595 8.7535 8.7535 9.7230 9.7230 10.0478 10.0478 k = 0.0000 0.0000 0.0404 ( 5051 PWs) bands (ev): -13.9845 -13.9845 -13.9339 -13.9339 -13.9094 -13.9094 -13.9063 -13.9063 -12.9763 -12.9763 -12.9525 -12.9525 -12.8942 -12.8942 -12.8469 -12.8469 -12.8413 -12.8413 -12.8233 -12.8233 -1.4754 -1.4754 1.6645 1.6645 5.6924 5.6924 6.1659 6.1659 6.6270 6.6270 7.0385 7.0385 8.0672 8.0672 8.3016 8.3016 8.7615 8.7615 9.7123 9.7123 10.0457 10.0457 k = 0.0000 0.0000 0.0202 ( 5047 PWs) bands (ev): -13.9846 -13.9846 -13.9338 -13.9338 -13.9095 -13.9095 -13.9063 -13.9063 -12.9763 -12.9763 -12.9525 -12.9525 -12.8943 -12.8943 -12.8466 -12.8466 -12.8415 -12.8415 -12.8233 -12.8233 -1.4804 -1.4804 1.6631 1.6631 5.6885 5.6885 6.1711 6.1711 6.7328 6.7328 6.9467 6.9467 8.0725 8.0725 8.3277 8.3277 8.7666 8.7666 9.7059 9.7059 10.0428 10.0428 k = 0.0000 0.0000 0.0000 ( 5041 PWs) bands (ev): -13.9846 -13.9846 -13.9337 -13.9337 -13.9095 -13.9095 -13.9063 -13.9063 -12.9763 -12.9763 -12.9526 -12.9526 -12.8943 -12.8943 -12.8465 -12.8465 -12.8416 -12.8416 -12.8232 -12.8232 -1.4820 -1.4820 1.6626 1.6626 5.6872 5.6872 6.1728 6.1728 6.8094 6.8094 6.8749 6.8749 8.0743 8.0743 8.3366 8.3366 8.7684 8.7684 9.7037 9.7037 10.0416 10.0416 k = 0.0000 0.0000 0.0000 ( 5041 PWs) bands (ev): -13.9846 -13.9846 -13.9337 -13.9337 -13.9095 -13.9095 -13.9063 -13.9063 -12.9763 -12.9763 -12.9526 -12.9526 -12.8943 -12.8943 -12.8465 -12.8465 -12.8416 -12.8416 -12.8232 -12.8232 -1.4820 -1.4820 1.6626 1.6626 5.6872 5.6872 6.1728 6.1728 6.8094 6.8094 6.8749 6.8749 8.0743 8.0743 8.3366 8.3366 8.7684 8.7684 9.7037 9.7037 10.0416 10.0416 k =-0.0185 0.0074-0.0000 ( 5047 PWs) bands (ev): -13.9846 -13.9846 -13.9338 -13.9338 -13.9096 -13.9096 -13.9063 -13.9063 -12.9763 -12.9763 -12.9526 -12.9526 -12.8943 -12.8943 -12.8465 -12.8465 -12.8416 -12.8416 -12.8232 -12.8232 -1.4811 -1.4811 1.6618 1.6618 5.6876 5.6876 6.1737 6.1737 6.8105 6.8105 6.8739 6.8739 8.0716 8.0716 8.3381 8.3381 8.7702 8.7702 9.6990 9.6990 10.0462 10.0462 k =-0.0370 0.0148-0.0000 ( 5041 PWs) bands (ev): -13.9846 -13.9846 -13.9337 -13.9337 -13.9096 -13.9096 -13.9063 -13.9063 -12.9763 -12.9763 -12.9526 -12.9526 -12.8943 -12.8943 -12.8465 -12.8465 -12.8416 -12.8416 -12.8232 -12.8232 -1.4785 -1.4785 1.6594 1.6594 5.6886 5.6886 6.1764 6.1764 6.8137 6.8137 6.8711 6.8711 8.0636 8.0636 8.3424 8.3424 8.7756 8.7756 9.6856 9.6856 10.0522 10.0522 k =-0.0556 0.0222-0.0000 ( 5037 PWs) bands (ev): -13.9846 -13.9846 -13.9337 -13.9337 -13.9096 -13.9096 -13.9063 -13.9063 -12.9763 -12.9763 -12.9526 -12.9526 -12.8943 -12.8943 -12.8465 -12.8465 -12.8416 -12.8416 -12.8233 -12.8233 -1.4742 -1.4742 1.6555 1.6555 5.6903 5.6903 6.1808 6.1808 6.8182 6.8182 6.8669 6.8669 8.0508 8.0508 8.3497 8.3497 8.7845 8.7845 9.6657 9.6657 10.0027 10.0027 k =-0.0741 0.0296-0.0000 ( 5041 PWs) bands (ev): -13.9846 -13.9846 -13.9337 -13.9337 -13.9096 -13.9096 -13.9064 -13.9064 -12.9763 -12.9763 -12.9526 -12.9526 -12.8943 -12.8943 -12.8465 -12.8465 -12.8416 -12.8416 -12.8233 -12.8233 -1.4681 -1.4681 1.6501 1.6501 5.6929 5.6929 6.1869 6.1869 6.8221 6.8221 6.8624 6.8624 8.0343 8.0343 8.3598 8.3598 8.7971 8.7971 9.6413 9.6413 9.9289 9.9289 k =-0.0926 0.0370-0.0000 ( 5045 PWs) bands (ev): -13.9846 -13.9846 -13.9337 -13.9337 -13.9096 -13.9096 -13.9064 -13.9064 -12.9763 -12.9763 -12.9526 -12.9526 -12.8943 -12.8943 -12.8465 -12.8465 -12.8416 -12.8416 -12.8233 -12.8233 -1.4605 -1.4605 1.6432 1.6432 5.6964 5.6964 6.1947 6.1947 6.8224 6.8224 6.8601 6.8601 8.0151 8.0151 8.3728 8.3728 8.8132 8.8132 9.6143 9.6143 9.8464 9.8464 k =-0.1111 0.0444-0.0000 ( 5047 PWs) bands (ev): -13.9846 -13.9846 -13.9336 -13.9336 -13.9097 -13.9097 -13.9064 -13.9064 -12.9763 -12.9763 -12.9526 -12.9526 -12.8943 -12.8943 -12.8465 -12.8465 -12.8416 -12.8416 -12.8233 -12.8233 -1.4513 -1.4513 1.6350 1.6350 5.7010 5.7010 6.2040 6.2040 6.8168 6.8168 6.8614 6.8614 7.9945 7.9945 8.3887 8.3887 8.8329 8.8329 9.5857 9.5857 9.7587 9.7587 k =-0.1296 0.0518-0.0000 ( 5039 PWs) bands (ev): -13.9845 -13.9845 -13.9336 -13.9336 -13.9097 -13.9097 -13.9065 -13.9065 -12.9762 -12.9762 -12.9526 -12.9526 -12.8944 -12.8944 -12.8466 -12.8466 -12.8416 -12.8416 -12.8233 -12.8233 -1.4406 -1.4406 1.6255 1.6255 5.7067 5.7067 6.2149 6.2149 6.8062 6.8062 6.8643 6.8643 7.9737 7.9737 8.4073 8.4073 8.8561 8.8561 9.5566 9.5566 9.6684 9.6684 k =-0.1481 0.0592-0.0000 ( 5035 PWs) bands (ev): -13.9845 -13.9845 -13.9335 -13.9335 -13.9097 -13.9097 -13.9065 -13.9065 -12.9762 -12.9762 -12.9525 -12.9525 -12.8944 -12.8944 -12.8466 -12.8466 -12.8416 -12.8416 -12.8234 -12.8234 -1.4287 -1.4287 1.6149 1.6149 5.7136 5.7136 6.2272 6.2272 6.7925 6.7925 6.8660 6.8660 7.9540 7.9540 8.4286 8.4286 8.8828 8.8828 9.5274 9.5274 9.5782 9.5782 k =-0.1667 0.0667-0.0000 ( 5039 PWs) bands (ev): -13.9845 -13.9845 -13.9335 -13.9335 -13.9098 -13.9098 -13.9065 -13.9065 -12.9762 -12.9762 -12.9525 -12.9525 -12.8944 -12.8944 -12.8466 -12.8466 -12.8416 -12.8416 -12.8234 -12.8234 -1.4155 -1.4155 1.6033 1.6033 5.7217 5.7217 6.2407 6.2407 6.7770 6.7770 6.8647 6.8647 7.9360 7.9360 8.4525 8.4525 8.9128 8.9128 9.4893 9.4893 9.4998 9.4998 k =-0.1852 0.0741-0.0000 ( 5035 PWs) bands (ev): -13.9845 -13.9845 -13.9334 -13.9334 -13.9098 -13.9098 -13.9066 -13.9066 -12.9761 -12.9761 -12.9525 -12.9525 -12.8944 -12.8944 -12.8467 -12.8467 -12.8416 -12.8416 -12.8234 -12.8234 -1.4012 -1.4012 1.5908 1.5908 5.7310 5.7310 6.2554 6.2554 6.7603 6.7603 6.8595 6.8595 7.9195 7.9195 8.4789 8.4789 8.9462 8.9462 9.4073 9.4073 9.4712 9.4712 k =-0.2037 0.0815-0.0000 ( 5031 PWs) bands (ev): -13.9844 -13.9844 -13.9334 -13.9334 -13.9099 -13.9099 -13.9066 -13.9066 -12.9761 -12.9761 -12.9525 -12.9525 -12.8945 -12.8945 -12.8467 -12.8467 -12.8415 -12.8415 -12.8234 -12.8234 -1.3861 -1.3861 1.5775 1.5775 5.7413 5.7413 6.2711 6.2711 6.7429 6.7429 6.8500 6.8500 7.9040 7.9040 8.5076 8.5076 8.9827 8.9827 9.3324 9.3324 9.4443 9.4443 k =-0.2222 0.0889-0.0000 ( 5033 PWs) bands (ev): -13.9844 -13.9844 -13.9333 -13.9333 -13.9099 -13.9099 -13.9066 -13.9066 -12.9761 -12.9761 -12.9525 -12.9525 -12.8945 -12.8945 -12.8467 -12.8467 -12.8415 -12.8415 -12.8234 -12.8234 -1.3703 -1.3703 1.5637 1.5637 5.7525 5.7525 6.2876 6.2876 6.7251 6.7251 6.8366 6.8366 7.8876 7.8876 8.5385 8.5385 9.0222 9.0222 9.2683 9.2683 9.4187 9.4187 k =-0.2407 0.0963-0.0000 ( 5035 PWs) bands (ev): -13.9844 -13.9844 -13.9332 -13.9332 -13.9100 -13.9100 -13.9067 -13.9067 -12.9761 -12.9761 -12.9525 -12.9525 -12.8945 -12.8945 -12.8468 -12.8468 -12.8415 -12.8415 -12.8235 -12.8235 -1.3539 -1.3539 1.5495 1.5495 5.7642 5.7642 6.3048 6.3048 6.7075 6.7075 6.8202 6.8202 7.8681 7.8681 8.5712 8.5712 9.0641 9.0641 9.2178 9.2178 9.3946 9.3946 k =-0.2593 0.1037-0.0000 ( 5039 PWs) bands (ev): -13.9844 -13.9844 -13.9332 -13.9332 -13.9101 -13.9101 -13.9067 -13.9067 -12.9760 -12.9760 -12.9525 -12.9525 -12.8946 -12.8946 -12.8468 -12.8468 -12.8415 -12.8415 -12.8235 -12.8235 -1.3373 -1.3373 1.5350 1.5350 5.7761 5.7761 6.3224 6.3224 6.6902 6.6902 6.8023 6.8023 7.8432 7.8432 8.6056 8.6056 9.1077 9.1077 9.1836 9.1836 9.3722 9.3722 k =-0.2778 0.1111-0.0000 ( 5045 PWs) bands (ev): -13.9844 -13.9844 -13.9331 -13.9331 -13.9101 -13.9101 -13.9068 -13.9068 -12.9760 -12.9760 -12.9525 -12.9525 -12.8946 -12.8946 -12.8468 -12.8468 -12.8415 -12.8415 -12.8235 -12.8235 -1.3205 -1.3205 1.5206 1.5206 5.7876 5.7876 6.3402 6.3402 6.6736 6.6736 6.7843 6.7843 7.8108 7.8108 8.6413 8.6413 9.1467 9.1467 9.1730 9.1730 9.3519 9.3519 k =-0.2963 0.1185-0.0000 ( 5043 PWs) bands (ev): -13.9843 -13.9843 -13.9331 -13.9331 -13.9102 -13.9102 -13.9068 -13.9068 -12.9760 -12.9760 -12.9525 -12.9525 -12.8946 -12.8946 -12.8469 -12.8469 -12.8415 -12.8415 -12.8236 -12.8236 -1.3039 -1.3039 1.5063 1.5063 5.7984 5.7984 6.3580 6.3580 6.6579 6.6579 6.7682 6.7682 7.7697 7.7697 8.6780 8.6780 9.1586 9.1586 9.2072 9.2072 9.3348 9.3348 k =-0.3148 0.1259-0.0000 ( 5037 PWs) bands (ev): -13.9843 -13.9843 -13.9330 -13.9330 -13.9102 -13.9102 -13.9069 -13.9069 -12.9760 -12.9760 -12.9524 -12.9524 -12.8947 -12.8947 -12.8469 -12.8469 -12.8415 -12.8415 -12.8236 -12.8236 -1.2876 -1.2876 1.4924 1.4924 5.8080 5.8080 6.3757 6.3757 6.6431 6.6431 6.7557 6.7557 7.7201 7.7201 8.7152 8.7152 9.1748 9.1748 9.2500 9.2500 9.3245 9.3245 k =-0.3333 0.1333-0.0000 ( 5033 PWs) bands (ev): -13.9843 -13.9843 -13.9329 -13.9329 -13.9103 -13.9103 -13.9069 -13.9069 -12.9759 -12.9759 -12.9524 -12.9524 -12.8947 -12.8947 -12.8469 -12.8469 -12.8415 -12.8415 -12.8236 -12.8236 -1.2720 -1.2720 1.4790 1.4790 5.8159 5.8159 6.3928 6.3928 6.6292 6.6292 6.7485 6.7485 7.6628 7.6628 8.7526 8.7526 9.2020 9.2020 9.2764 9.2764 9.3365 9.3365 k =-0.3519 0.1407-0.0000 ( 5040 PWs) bands (ev): -13.9843 -13.9843 -13.9328 -13.9328 -13.9104 -13.9104 -13.9069 -13.9069 -12.9759 -12.9759 -12.9524 -12.9524 -12.8948 -12.8948 -12.8469 -12.8469 -12.8415 -12.8415 -12.8236 -12.8236 -1.2572 -1.2572 1.4664 1.4664 5.8218 5.8218 6.4092 6.4092 6.6161 6.6161 6.7481 6.7481 7.5994 7.5994 8.7894 8.7894 9.2309 9.2309 9.2862 9.2862 9.3766 9.3766 k =-0.3704 0.1481-0.0000 ( 5050 PWs) bands (ev): -13.9843 -13.9843 -13.9328 -13.9328 -13.9104 -13.9104 -13.9070 -13.9070 -12.9759 -12.9759 -12.9524 -12.9524 -12.8948 -12.8948 -12.8470 -12.8470 -12.8415 -12.8415 -12.8236 -12.8236 -1.2435 -1.2435 1.4548 1.4548 5.8256 5.8256 6.4245 6.4245 6.6038 6.6038 6.7555 6.7555 7.5317 7.5317 8.8252 8.8252 9.2405 9.2405 9.3168 9.3168 9.4244 9.4244 k =-0.3889 0.1555-0.0000 ( 5052 PWs) bands (ev): -13.9843 -13.9843 -13.9327 -13.9327 -13.9105 -13.9105 -13.9070 -13.9070 -12.9759 -12.9759 -12.9524 -12.9524 -12.8948 -12.8948 -12.8470 -12.8470 -12.8415 -12.8415 -12.8237 -12.8237 -1.2311 -1.2311 1.4443 1.4443 5.8276 5.8276 6.4386 6.4386 6.5925 6.5925 6.7708 6.7708 7.4613 7.4613 8.8591 8.8591 9.2359 9.2359 9.3658 9.3658 9.4724 9.4724 k =-0.4074 0.1629-0.0000 ( 5054 PWs) bands (ev): -13.9842 -13.9842 -13.9327 -13.9327 -13.9105 -13.9105 -13.9070 -13.9070 -12.9759 -12.9759 -12.9524 -12.9524 -12.8948 -12.8948 -12.8470 -12.8470 -12.8415 -12.8415 -12.8237 -12.8237 -1.2202 -1.2202 1.4351 1.4351 5.8279 5.8279 6.4510 6.4510 6.5824 6.5824 6.7941 6.7941 7.3900 7.3900 8.8902 8.8902 9.2289 9.2289 9.4193 9.4193 9.5179 9.5179 k =-0.4259 0.1703-0.0000 ( 5052 PWs) bands (ev): -13.9842 -13.9842 -13.9327 -13.9327 -13.9105 -13.9105 -13.9070 -13.9070 -12.9758 -12.9758 -12.9524 -12.9524 -12.8949 -12.8949 -12.8470 -12.8470 -12.8415 -12.8415 -12.8237 -12.8237 -1.2110 -1.2110 1.4273 1.4273 5.8272 5.8272 6.4616 6.4616 6.5739 6.5739 6.8245 6.8245 7.3194 7.3194 8.9177 8.9177 9.2222 9.2222 9.4711 9.4711 9.5590 9.5590 k =-0.4444 0.1777-0.0000 ( 5046 PWs) bands (ev): -13.9842 -13.9842 -13.9326 -13.9326 -13.9105 -13.9105 -13.9071 -13.9071 -12.9758 -12.9758 -12.9524 -12.9524 -12.8949 -12.8949 -12.8470 -12.8470 -12.8415 -12.8415 -12.8237 -12.8237 -1.2036 -1.2036 1.4211 1.4211 5.8259 5.8259 6.4701 6.4701 6.5670 6.5670 6.8610 6.8610 7.2514 7.2514 8.9405 8.9405 9.2168 9.2168 9.5168 9.5168 9.5938 9.5938 k =-0.4630 0.1851-0.0000 ( 5050 PWs) bands (ev): -13.9842 -13.9842 -13.9326 -13.9326 -13.9106 -13.9106 -13.9071 -13.9071 -12.9758 -12.9758 -12.9524 -12.9524 -12.8949 -12.8949 -12.8471 -12.8471 -12.8415 -12.8415 -12.8237 -12.8237 -1.1983 -1.1983 1.4167 1.4167 5.8246 5.8246 6.4764 6.4764 6.5620 6.5620 6.9012 6.9012 7.1885 7.1885 8.9576 8.9576 9.2128 9.2128 9.5528 9.5528 9.6204 9.6204 k =-0.4815 0.1925-0.0000 ( 5054 PWs) bands (ev): -13.9842 -13.9842 -13.9326 -13.9326 -13.9106 -13.9106 -13.9071 -13.9071 -12.9758 -12.9758 -12.9524 -12.9524 -12.8949 -12.8949 -12.8471 -12.8471 -12.8415 -12.8415 -12.8237 -12.8237 -1.1950 -1.1950 1.4139 1.4139 5.8236 5.8236 6.4802 6.4802 6.5590 6.5590 6.9391 6.9391 7.1369 7.1369 8.9683 8.9683 9.2104 9.2104 9.5758 9.5758 9.6372 9.6372 k =-0.5000 0.2000-0.0000 ( 5060 PWs) bands (ev): -13.9842 -13.9842 -13.9326 -13.9326 -13.9106 -13.9106 -13.9071 -13.9071 -12.9758 -12.9758 -12.9524 -12.9524 -12.8949 -12.8949 -12.8471 -12.8471 -12.8415 -12.8415 -12.8237 -12.8237 -1.1940 -1.1940 1.4130 1.4130 5.8232 5.8232 6.4815 6.4815 6.5579 6.5579 6.9576 6.9576 7.1138 7.1138 8.9719 8.9719 9.2096 9.2096 9.5837 9.5837 9.6429 9.6429 k =-0.5000 0.2000-0.0000 ( 5060 PWs) bands (ev): -13.9842 -13.9842 -13.9326 -13.9326 -13.9106 -13.9106 -13.9071 -13.9071 -12.9758 -12.9758 -12.9524 -12.9524 -12.8949 -12.8949 -12.8471 -12.8471 -12.8415 -12.8415 -12.8237 -12.8237 -1.1940 -1.1940 1.4130 1.4130 5.8232 5.8232 6.4815 6.4815 6.5579 6.5579 6.9576 6.9576 7.1138 7.1138 8.9719 8.9719 9.2096 9.2096 9.5837 9.5837 9.6429 9.6429 k =-0.4925 0.2187-0.0000 ( 5056 PWs) bands (ev): -13.9842 -13.9842 -13.9326 -13.9326 -13.9106 -13.9106 -13.9071 -13.9071 -12.9758 -12.9758 -12.9524 -12.9524 -12.8949 -12.8949 -12.8471 -12.8471 -12.8415 -12.8415 -12.8237 -12.8237 -1.1932 -1.1932 1.4146 1.4146 5.8229 5.8229 6.4709 6.4709 6.5552 6.5552 6.9653 6.9653 7.1151 7.1151 8.9723 8.9723 9.2128 9.2128 9.5498 9.5498 9.6344 9.6344 k =-0.4850 0.2375-0.0000 ( 5046 PWs) bands (ev): -13.9842 -13.9842 -13.9326 -13.9326 -13.9105 -13.9105 -13.9070 -13.9070 -12.9758 -12.9758 -12.9523 -12.9523 -12.8948 -12.8948 -12.8470 -12.8470 -12.8415 -12.8415 -12.8237 -12.8237 -1.1909 -1.1909 1.4192 1.4192 5.8221 5.8221 6.4411 6.4411 6.5469 6.5469 6.9867 6.9867 7.1191 7.1191 8.9736 8.9736 9.2218 9.2218 9.4547 9.4547 9.6107 9.6107 k =-0.4775 0.2562-0.0000 ( 5046 PWs) bands (ev): -13.9842 -13.9842 -13.9325 -13.9325 -13.9105 -13.9105 -13.9070 -13.9070 -12.9758 -12.9758 -12.9523 -12.9523 -12.8948 -12.8948 -12.8469 -12.8469 -12.8415 -12.8415 -12.8237 -12.8237 -1.1872 -1.1872 1.4269 1.4269 5.8207 5.8207 6.3964 6.3964 6.5328 6.5328 7.0180 7.0180 7.1257 7.1257 8.9757 8.9757 9.2299 9.2299 9.3313 9.3313 9.5733 9.5733 k =-0.4700 0.2750-0.0000 ( 5028 PWs) bands (ev): -13.9842 -13.9842 -13.9325 -13.9325 -13.9104 -13.9104 -13.9069 -13.9069 -12.9758 -12.9758 -12.9522 -12.9522 -12.8947 -12.8947 -12.8468 -12.8468 -12.8415 -12.8415 -12.8237 -12.8237 -1.1820 -1.1820 1.4377 1.4377 5.8189 5.8189 6.3406 6.3406 6.5132 6.5132 7.0549 7.0549 7.1355 7.1355 8.9785 8.9785 9.1579 9.1579 9.2803 9.2803 9.5239 9.5239 k =-0.4625 0.2937-0.0000 ( 5022 PWs) bands (ev): -13.9841 -13.9841 -13.9324 -13.9324 -13.9104 -13.9104 -13.9068 -13.9068 -12.9758 -12.9758 -12.9521 -12.9521 -12.8945 -12.8945 -12.8467 -12.8467 -12.8415 -12.8415 -12.8236 -12.8236 -1.1753 -1.1753 1.4515 1.4515 5.8165 5.8165 6.2764 6.2764 6.4888 6.4888 7.0925 7.0925 7.1504 7.1504 8.9805 8.9805 9.0164 9.0164 9.3011 9.3011 9.4659 9.4659 k =-0.4550 0.3125-0.0000 ( 5020 PWs) bands (ev): -13.9841 -13.9841 -13.9324 -13.9324 -13.9103 -13.9103 -13.9067 -13.9067 -12.9757 -12.9757 -12.9520 -12.9520 -12.8944 -12.8944 -12.8465 -12.8465 -12.8415 -12.8415 -12.8236 -12.8236 -1.1673 -1.1673 1.4683 1.4683 5.8137 5.8137 6.2058 6.2058 6.4601 6.4601 7.1225 7.1225 7.1765 7.1765 8.8666 8.8666 8.9864 8.9864 9.3267 9.3267 9.4063 9.4063 k =-0.4475 0.3312-0.0000 ( 5004 PWs) bands (ev): -13.9841 -13.9841 -13.9323 -13.9323 -13.9102 -13.9102 -13.9065 -13.9065 -12.9757 -12.9757 -12.9519 -12.9519 -12.8942 -12.8942 -12.8463 -12.8463 -12.8414 -12.8414 -12.8236 -12.8236 -1.1580 -1.1580 1.4879 1.4879 5.8103 5.8103 6.1302 6.1302 6.4278 6.4278 7.1405 7.1405 7.2164 7.2164 8.7226 8.7226 8.9882 8.9882 9.3128 9.3128 9.3880 9.3880 k =-0.4400 0.3500-0.0000 ( 5004 PWs) bands (ev): -13.9840 -13.9840 -13.9322 -13.9322 -13.9101 -13.9101 -13.9064 -13.9064 -12.9757 -12.9757 -12.9518 -12.9518 -12.8941 -12.8941 -12.8461 -12.8461 -12.8414 -12.8414 -12.8236 -12.8236 -1.1474 -1.1474 1.5104 1.5104 5.8061 5.8061 6.0510 6.0510 6.3928 6.3928 7.1509 7.1509 7.2639 7.2639 8.5845 8.5845 8.9856 8.9856 9.2541 9.2541 9.4195 9.4195 k =-0.4325 0.3688-0.0000 ( 5004 PWs) bands (ev): -13.9840 -13.9840 -13.9321 -13.9321 -13.9100 -13.9100 -13.9062 -13.9062 -12.9756 -12.9756 -12.9517 -12.9517 -12.8938 -12.8938 -12.8459 -12.8459 -12.8414 -12.8414 -12.8235 -12.8235 -1.1357 -1.1357 1.5357 1.5357 5.8000 5.8000 5.9699 5.9699 6.3557 6.3557 7.1555 7.1555 7.3149 7.3149 8.4554 8.4554 8.9719 8.9719 9.2004 9.2004 9.4579 9.4579 k =-0.4250 0.3875-0.0000 ( 5008 PWs) bands (ev): -13.9840 -13.9840 -13.9320 -13.9320 -13.9099 -13.9099 -13.9061 -13.9061 -12.9756 -12.9756 -12.9515 -12.9515 -12.8936 -12.8936 -12.8457 -12.8457 -12.8413 -12.8413 -12.8235 -12.8235 -1.1229 -1.1229 1.5636 1.5636 5.7880 5.7880 5.8919 5.8919 6.3171 6.3171 7.1530 7.1530 7.3683 7.3683 8.3383 8.3383 8.9383 8.9383 9.1668 9.1668 9.4969 9.4969 k =-0.4175 0.4063-0.0000 ( 5006 PWs) bands (ev): -13.9839 -13.9839 -13.9319 -13.9319 -13.9097 -13.9097 -13.9059 -13.9059 -12.9756 -12.9756 -12.9514 -12.9514 -12.8934 -12.8934 -12.8454 -12.8454 -12.8413 -12.8413 -12.8235 -12.8235 -1.1091 -1.1091 1.5940 1.5940 5.7507 5.7507 5.8368 5.8368 6.2779 6.2779 7.1404 7.1404 7.4235 7.4235 8.2369 8.2369 8.8832 8.8832 9.1565 9.1565 9.5343 9.5343 k =-0.4100 0.4250-0.0000 ( 5010 PWs) bands (ev): -13.9839 -13.9839 -13.9318 -13.9318 -13.9096 -13.9096 -13.9057 -13.9057 -12.9756 -12.9756 -12.9512 -12.9512 -12.8931 -12.8931 -12.8452 -12.8452 -12.8412 -12.8412 -12.8235 -12.8235 -1.0944 -1.0944 1.6269 1.6269 5.6762 5.6762 5.8171 5.8171 6.2385 6.2385 7.1145 7.1145 7.4804 7.4804 8.1549 8.1549 8.8148 8.8148 9.1624 9.1624 9.5684 9.5684 k =-0.4025 0.4438-0.0000 ( 5010 PWs) bands (ev): -13.9838 -13.9838 -13.9317 -13.9317 -13.9095 -13.9095 -13.9055 -13.9055 -12.9755 -12.9755 -12.9511 -12.9511 -12.8929 -12.8929 -12.8449 -12.8449 -12.8412 -12.8412 -12.8234 -12.8234 -1.0790 -1.0790 1.6620 1.6620 5.5882 5.5882 5.8097 5.8097 6.1998 6.1998 7.0727 7.0727 7.5390 7.5390 8.0953 8.0953 8.7404 8.7404 9.1779 9.1779 9.5975 9.5975 k =-0.3950 0.4625-0.0000 ( 5022 PWs) bands (ev): -13.9838 -13.9838 -13.9316 -13.9316 -13.9093 -13.9093 -13.9052 -13.9052 -12.9755 -12.9755 -12.9509 -12.9509 -12.8926 -12.8926 -12.8446 -12.8446 -12.8412 -12.8412 -12.8234 -12.8234 -1.0630 -1.0630 1.6992 1.6992 5.4964 5.4964 5.8053 5.8053 6.1623 6.1623 7.0141 7.0141 7.5992 7.5992 8.0590 8.0590 8.6643 8.6643 9.1991 9.1991 9.6199 9.6199 k =-0.3875 0.4813-0.0000 ( 5022 PWs) bands (ev): -13.9838 -13.9838 -13.9314 -13.9314 -13.9092 -13.9092 -13.9050 -13.9050 -12.9755 -12.9755 -12.9507 -12.9507 -12.8923 -12.8923 -12.8443 -12.8443 -12.8412 -12.8412 -12.8234 -12.8234 -1.0465 -1.0465 1.7383 1.7383 5.4031 5.4031 5.8018 5.8018 6.1268 6.1268 6.9401 6.9401 7.6610 7.6610 8.0449 8.0449 8.5885 8.5885 9.2243 9.2243 9.6340 9.6340 k =-0.3800 0.5000-0.0000 ( 5026 PWs) bands (ev): -13.9837 -13.9837 -13.9313 -13.9313 -13.9090 -13.9090 -13.9048 -13.9048 -12.9754 -12.9754 -12.9505 -12.9505 -12.8921 -12.8921 -12.8440 -12.8440 -12.8411 -12.8411 -12.8233 -12.8233 -1.0296 -1.0296 1.7791 1.7791 5.3094 5.3094 5.7984 5.7984 6.0940 6.0940 6.8540 6.8540 7.7243 7.7243 8.0498 8.0498 8.5145 8.5145 9.2523 9.2523 9.6391 9.6391 k =-0.3725 0.5188-0.0000 ( 5014 PWs) bands (ev): -13.9837 -13.9837 -13.9312 -13.9312 -13.9089 -13.9089 -13.9046 -13.9046 -12.9754 -12.9754 -12.9504 -12.9504 -12.8918 -12.8918 -12.8437 -12.8437 -12.8411 -12.8411 -12.8233 -12.8233 -1.0126 -1.0126 1.8215 1.8215 5.2161 5.2161 5.7943 5.7943 6.0648 6.0648 6.7593 6.7593 7.7891 7.7891 8.0701 8.0701 8.4430 8.4430 9.2822 9.2822 9.6366 9.6366 k =-0.3650 0.5376-0.0000 ( 5022 PWs) bands (ev): -13.9836 -13.9836 -13.9311 -13.9311 -13.9087 -13.9087 -13.9043 -13.9043 -12.9754 -12.9754 -12.9502 -12.9502 -12.8915 -12.8915 -12.8434 -12.8434 -12.8410 -12.8410 -12.8233 -12.8233 -0.9956 -0.9956 1.8650 1.8650 5.1236 5.1236 5.7889 5.7889 6.0401 6.0401 6.6596 6.6596 7.8550 7.8550 8.1022 8.1022 8.3749 8.3749 9.3133 9.3133 9.6293 9.6293 k =-0.3575 0.5563-0.0000 ( 5028 PWs) bands (ev): -13.9836 -13.9836 -13.9310 -13.9310 -13.9086 -13.9086 -13.9041 -13.9041 -12.9753 -12.9753 -12.9500 -12.9500 -12.8912 -12.8912 -12.8431 -12.8431 -12.8410 -12.8410 -12.8232 -12.8232 -0.9788 -0.9788 1.9096 1.9096 5.0325 5.0325 5.7815 5.7815 6.0208 6.0208 6.5576 6.5576 7.9219 7.9219 8.1425 8.1425 8.3117 8.3117 9.3447 9.3447 9.6200 9.6200 k =-0.3500 0.5751-0.0000 ( 5028 PWs) bands (ev): -13.9835 -13.9835 -13.9309 -13.9309 -13.9084 -13.9084 -13.9039 -13.9039 -12.9753 -12.9753 -12.9498 -12.9498 -12.8910 -12.8910 -12.8427 -12.8427 -12.8409 -12.8409 -12.8232 -12.8232 -0.9623 -0.9623 1.9548 1.9548 4.9432 4.9432 5.7717 5.7717 6.0075 6.0075 6.4557 6.4557 7.9888 7.9888 8.1831 8.1831 8.2604 8.2604 9.3750 9.3750 9.6102 9.6102 k =-0.3425 0.5938-0.0000 ( 5042 PWs) bands (ev): -13.9835 -13.9835 -13.9308 -13.9308 -13.9083 -13.9083 -13.9037 -13.9037 -12.9753 -12.9753 -12.9497 -12.9497 -12.8907 -12.8907 -12.8425 -12.8425 -12.8409 -12.8409 -12.8232 -12.8232 -0.9464 -0.9464 2.0003 2.0003 4.8562 4.8562 5.7593 5.7593 6.0004 6.0004 6.3558 6.3558 8.0521 8.0521 8.1798 8.1798 8.2669 8.2669 9.4025 9.4025 9.6012 9.6012 k =-0.3350 0.6126-0.0000 ( 5050 PWs) bands (ev): -13.9835 -13.9835 -13.9307 -13.9307 -13.9082 -13.9082 -13.9035 -13.9035 -12.9753 -12.9753 -12.9495 -12.9495 -12.8905 -12.8905 -12.8422 -12.8422 -12.8409 -12.8409 -12.8231 -12.8231 -0.9311 -0.9311 2.0458 2.0458 4.7719 4.7719 5.7446 5.7446 5.9990 5.9990 6.2595 6.2595 8.0854 8.0854 8.1689 8.1689 8.3202 8.3202 9.4242 9.4242 9.5924 9.5924 k =-0.3275 0.6313-0.0000 ( 5052 PWs) bands (ev): -13.9834 -13.9834 -13.9306 -13.9306 -13.9080 -13.9080 -13.9033 -13.9033 -12.9753 -12.9753 -12.9494 -12.9494 -12.8902 -12.8902 -12.8419 -12.8419 -12.8408 -12.8408 -12.8231 -12.8231 -0.9168 -0.9168 2.0908 2.0908 4.6907 4.6907 5.7281 5.7281 6.0019 6.0019 6.1690 6.1690 8.0560 8.0560 8.2200 8.2200 8.3820 8.3820 9.4366 9.4366 9.5768 9.5768 k =-0.3200 0.6501-0.0000 ( 5060 PWs) bands (ev): -13.9834 -13.9834 -13.9305 -13.9305 -13.9079 -13.9079 -13.9031 -13.9031 -12.9752 -12.9752 -12.9493 -12.9493 -12.8900 -12.8900 -12.8417 -12.8417 -12.8408 -12.8408 -12.8231 -12.8231 -0.9036 -0.9036 2.1349 2.1349 4.6129 4.6129 5.7104 5.7104 6.0048 6.0048 6.0893 6.0893 8.0134 8.0134 8.2877 8.2877 8.4473 8.4473 9.4374 9.4374 9.5522 9.5522 k =-0.3125 0.6689-0.0000 ( 5058 PWs) bands (ev): -13.9834 -13.9834 -13.9304 -13.9304 -13.9078 -13.9078 -13.9029 -13.9029 -12.9752 -12.9752 -12.9491 -12.9491 -12.8898 -12.8898 -12.8415 -12.8415 -12.8407 -12.8407 -12.8231 -12.8231 -0.8917 -0.8917 2.1776 2.1776 4.5390 4.5390 5.6913 5.6913 5.9799 5.9799 6.0489 6.0489 7.9718 7.9718 8.3582 8.3582 8.5146 8.5146 9.4265 9.4265 9.5249 9.5249 k =-0.3050 0.6876-0.0000 ( 5058 PWs) bands (ev): -13.9833 -13.9833 -13.9304 -13.9304 -13.9077 -13.9077 -13.9027 -13.9027 -12.9752 -12.9752 -12.9490 -12.9490 -12.8896 -12.8896 -12.8413 -12.8413 -12.8406 -12.8406 -12.8231 -12.8231 -0.8812 -0.8812 2.2185 2.2185 4.4692 4.4692 5.6706 5.6706 5.9206 5.9206 6.0559 6.0559 7.9333 7.9333 8.4293 8.4293 8.5828 8.5828 9.4052 9.4052 9.4988 9.4988 k =-0.2975 0.7064-0.0000 ( 5058 PWs) bands (ev): -13.9833 -13.9833 -13.9303 -13.9303 -13.9076 -13.9076 -13.9025 -13.9025 -12.9752 -12.9752 -12.9489 -12.9489 -12.8894 -12.8894 -12.8412 -12.8412 -12.8405 -12.8405 -12.8230 -12.8230 -0.8724 -0.8724 2.2569 2.2569 4.4039 4.4039 5.6471 5.6471 5.8649 5.8649 6.0739 6.0739 7.8986 7.8986 8.5002 8.5002 8.6509 8.6509 9.3750 9.3750 9.4753 9.4753 k =-0.2900 0.7251-0.0000 ( 5058 PWs) bands (ev): -13.9833 -13.9833 -13.9303 -13.9303 -13.9075 -13.9075 -13.9024 -13.9024 -12.9752 -12.9752 -12.9489 -12.9489 -12.8893 -12.8893 -12.8412 -12.8412 -12.8403 -12.8403 -12.8230 -12.8230 -0.8654 -0.8654 2.2923 2.2923 4.3434 4.3434 5.6202 5.6202 5.8209 5.8209 6.0963 6.0963 7.8680 7.8680 8.5702 8.5702 8.7182 8.7182 9.3383 9.3383 9.4537 9.4537 k =-0.2900 0.7251-0.0000 ( 5058 PWs) bands (ev): -13.9833 -13.9833 -13.9303 -13.9303 -13.9075 -13.9075 -13.9024 -13.9024 -12.9752 -12.9752 -12.9489 -12.9489 -12.8893 -12.8893 -12.8412 -12.8412 -12.8403 -12.8403 -12.8230 -12.8230 -0.8654 -0.8654 2.2923 2.2923 4.3434 4.3434 5.6202 5.6202 5.8209 5.8209 6.0963 6.0963 7.8680 7.8680 8.5702 8.5702 8.7182 8.7182 9.3383 9.3383 9.4537 9.4537 k =-0.2900 0.7251 0.0202 ( 5046 PWs) bands (ev): -13.9833 -13.9833 -13.9303 -13.9303 -13.9075 -13.9075 -13.9024 -13.9024 -12.9751 -12.9751 -12.9488 -12.9488 -12.8892 -12.8892 -12.8418 -12.8418 -12.8397 -12.8397 -12.8230 -12.8230 -0.8643 -0.8643 2.2903 2.2903 4.3450 4.3450 5.6172 5.6172 5.8232 5.8232 6.0958 6.0958 7.8643 7.8643 8.5741 8.5741 8.7187 8.7187 9.3110 9.3110 9.4826 9.4826 k =-0.2900 0.7251 0.0404 ( 5045 PWs) bands (ev): -13.9832 -13.9832 -13.9304 -13.9304 -13.9074 -13.9074 -13.9024 -13.9024 -12.9751 -12.9751 -12.9488 -12.9488 -12.8892 -12.8892 -12.8427 -12.8427 -12.8389 -12.8389 -12.8231 -12.8231 -0.8611 -0.8611 2.2840 2.2840 4.3499 4.3499 5.6089 5.6089 5.8299 5.8299 6.0944 6.0944 7.8534 7.8534 8.5854 8.5854 8.7197 8.7197 9.2615 9.2615 9.5368 9.5368 k =-0.2900 0.7251 0.0606 ( 5037 PWs) bands (ev): -13.9830 -13.9830 -13.9305 -13.9305 -13.9073 -13.9073 -13.9023 -13.9023 -12.9749 -12.9749 -12.9487 -12.9487 -12.8892 -12.8892 -12.8437 -12.8437 -12.8381 -12.8381 -12.8232 -12.8232 -0.8557 -0.8557 2.2737 2.2737 4.3581 4.3581 5.5962 5.5962 5.8398 5.8398 6.0920 6.0920 7.8365 7.8365 8.6026 8.6026 8.7198 8.7198 9.2121 9.2121 9.5938 9.5938 k =-0.2900 0.7251 0.0808 ( 5039 PWs) bands (ev): -13.9828 -13.9828 -13.9308 -13.9308 -13.9072 -13.9072 -13.9023 -13.9023 -12.9748 -12.9748 -12.9487 -12.9487 -12.8892 -12.8892 -12.8448 -12.8448 -12.8373 -12.8373 -12.8234 -12.8234 -0.8482 -0.8482 2.2592 2.2592 4.3694 4.3694 5.5802 5.5802 5.8520 5.8520 6.0889 6.0889 7.8149 7.8149 8.6232 8.6232 8.7172 8.7172 9.1701 9.1701 9.6448 9.6448 k =-0.2900 0.7251 0.1010 ( 5040 PWs) bands (ev): -13.9826 -13.9826 -13.9311 -13.9311 -13.9070 -13.9070 -13.9022 -13.9022 -12.9746 -12.9746 -12.9486 -12.9486 -12.8892 -12.8892 -12.8459 -12.8459 -12.8366 -12.8366 -12.8236 -12.8236 -0.8385 -0.8385 2.2405 2.2405 4.3837 4.3837 5.5620 5.5620 5.8656 5.8656 6.0852 6.0852 7.7899 7.7899 8.6420 8.6420 8.7118 8.7118 9.1401 9.1401 9.6830 9.6830 k =-0.2900 0.7251 0.1212 ( 5041 PWs) bands (ev): -13.9823 -13.9823 -13.9314 -13.9314 -13.9068 -13.9068 -13.9022 -13.9022 -12.9743 -12.9743 -12.9484 -12.9484 -12.8892 -12.8892 -12.8470 -12.8470 -12.8360 -12.8360 -12.8239 -12.8239 -0.8266 -0.8266 2.2179 2.2179 4.4009 4.4009 5.5423 5.5423 5.8799 5.8799 6.0811 6.0811 7.7630 7.7630 8.6454 8.6454 8.7126 8.7126 9.1254 9.1254 9.7095 9.7095 k =-0.2900 0.7251 0.1414 ( 5045 PWs) bands (ev): -13.9819 -13.9819 -13.9318 -13.9318 -13.9066 -13.9066 -13.9021 -13.9021 -12.9740 -12.9740 -12.9483 -12.9483 -12.8892 -12.8892 -12.8481 -12.8481 -12.8354 -12.8354 -12.8242 -12.8242 -0.8127 -0.8127 2.1911 2.1911 4.4208 4.4208 5.5217 5.5217 5.8944 5.8944 6.0772 6.0772 7.7352 7.7352 8.6218 8.6218 8.7289 8.7289 9.1270 9.1270 9.7316 9.7316 k =-0.2900 0.7251 0.1616 ( 5045 PWs) bands (ev): -13.9815 -13.9815 -13.9323 -13.9323 -13.9063 -13.9063 -13.9020 -13.9020 -12.9737 -12.9737 -12.9481 -12.9481 -12.8893 -12.8893 -12.8492 -12.8492 -12.8349 -12.8349 -12.8245 -12.8245 -0.7966 -0.7966 2.1605 2.1605 4.4433 4.4433 5.5006 5.5006 5.9086 5.9086 6.0740 6.0740 7.7075 7.7075 8.5806 8.5806 8.7517 8.7517 9.1430 9.1430 9.7546 9.7546 k =-0.2900 0.7251 0.1818 ( 5043 PWs) bands (ev): -13.9811 -13.9811 -13.9328 -13.9328 -13.9060 -13.9060 -13.9019 -13.9019 -12.9733 -12.9733 -12.9480 -12.9480 -12.8893 -12.8893 -12.8503 -12.8503 -12.8344 -12.8344 -12.8248 -12.8248 -0.7784 -0.7784 2.1259 2.1259 4.4681 4.4681 5.4792 5.4792 5.9218 5.9218 6.0722 6.0722 7.6803 7.6803 8.5299 8.5299 8.7748 8.7748 9.1709 9.1709 9.7813 9.7813 k =-0.2900 0.7251 0.2021 ( 5046 PWs) bands (ev): -13.9806 -13.9806 -13.9333 -13.9333 -13.9057 -13.9057 -13.9018 -13.9018 -12.9728 -12.9728 -12.9477 -12.9477 -12.8894 -12.8894 -12.8515 -12.8515 -12.8341 -12.8341 -12.8251 -12.8251 -0.7581 -0.7581 2.0876 2.0876 4.4948 4.4948 5.4576 5.4576 5.9335 5.9335 6.0730 6.0730 7.6544 7.6544 8.4736 8.4736 8.7961 8.7961 9.2078 9.2078 9.8130 9.8130 k =-0.2900 0.7251 0.2223 ( 5036 PWs) bands (ev): -13.9800 -13.9800 -13.9339 -13.9339 -13.9054 -13.9054 -13.9016 -13.9016 -12.9724 -12.9724 -12.9475 -12.9475 -12.8895 -12.8895 -12.8526 -12.8526 -12.8338 -12.8338 -12.8254 -12.8254 -0.7357 -0.7357 2.0457 2.0457 4.5232 4.5232 5.4361 5.4361 5.9428 5.9428 6.0772 6.0772 7.6299 7.6299 8.4141 8.4141 8.8150 8.8150 9.2517 9.2517 9.8502 9.8502 k =-0.2900 0.7251 0.2425 ( 5036 PWs) bands (ev): -13.9794 -13.9794 -13.9345 -13.9345 -13.9051 -13.9051 -13.9015 -13.9015 -12.9718 -12.9718 -12.9473 -12.9473 -12.8896 -12.8896 -12.8537 -12.8537 -12.8336 -12.8336 -12.8256 -12.8256 -0.7112 -0.7112 2.0003 2.0003 4.5530 4.5530 5.4147 5.4147 5.9493 5.9493 6.0860 6.0860 7.6072 7.6072 8.3530 8.3530 8.8315 8.8315 9.3010 9.3010 9.8929 9.8929 k =-0.2900 0.7251 0.2627 ( 5035 PWs) bands (ev): -13.9788 -13.9788 -13.9352 -13.9352 -13.9048 -13.9048 -13.9014 -13.9014 -12.9713 -12.9713 -12.9470 -12.9470 -12.8898 -12.8898 -12.8548 -12.8548 -12.8335 -12.8335 -12.8259 -12.8259 -0.6847 -0.6847 1.9516 1.9516 4.5838 4.5838 5.3933 5.3933 5.9533 5.9533 6.0993 6.0993 7.5863 7.5863 8.2914 8.2914 8.8459 8.8459 9.3546 9.3546 9.9411 9.9411 k =-0.2900 0.7251 0.2829 ( 5037 PWs) bands (ev): -13.9781 -13.9781 -13.9359 -13.9359 -13.9045 -13.9045 -13.9012 -13.9012 -12.9707 -12.9707 -12.9467 -12.9467 -12.8900 -12.8900 -12.8560 -12.8560 -12.8335 -12.8335 -12.8261 -12.8261 -0.6562 -0.6562 1.8999 1.8999 4.6150 4.6150 5.3721 5.3721 5.9554 5.9554 6.1169 6.1169 7.5673 7.5673 8.2301 8.2301 8.8589 8.8589 9.4116 9.4116 9.9941 9.9941 k =-0.2900 0.7251 0.3031 ( 5043 PWs) bands (ev): -13.9774 -13.9774 -13.9366 -13.9366 -13.9042 -13.9042 -13.9010 -13.9010 -12.9701 -12.9701 -12.9464 -12.9464 -12.8903 -12.8903 -12.8571 -12.8571 -12.8336 -12.8336 -12.8262 -12.8262 -0.6256 -0.6256 1.8453 1.8453 4.6464 4.6464 5.3509 5.3509 5.9569 5.9569 6.1380 6.1380 7.5503 7.5503 8.1696 8.1696 8.8712 8.8712 9.4714 9.4714 10.0514 10.0514 k =-0.2900 0.7251 0.3233 ( 5047 PWs) bands (ev): -13.9766 -13.9766 -13.9374 -13.9374 -13.9039 -13.9039 -13.9009 -13.9009 -12.9694 -12.9694 -12.9461 -12.9461 -12.8906 -12.8906 -12.8582 -12.8582 -12.8337 -12.8337 -12.8264 -12.8264 -0.5930 -0.5930 1.7880 1.7880 4.6774 4.6774 5.3299 5.3299 5.9588 5.9588 6.1619 6.1619 7.5351 7.5351 8.1104 8.1104 8.8834 8.8834 9.5334 9.5334 10.1124 10.1124 k =-0.2900 0.7251 0.3435 ( 5047 PWs) bands (ev): -13.9758 -13.9758 -13.9381 -13.9381 -13.9036 -13.9036 -13.9007 -13.9007 -12.9687 -12.9687 -12.9458 -12.9458 -12.8909 -12.8909 -12.8593 -12.8593 -12.8339 -12.8339 -12.8265 -12.8265 -0.5585 -0.5585 1.7283 1.7283 4.7075 4.7075 5.3090 5.3090 5.9619 5.9619 6.1878 6.1878 7.5217 7.5217 8.0529 8.0529 8.8963 8.8963 9.5973 9.5973 10.1765 10.1765 k =-0.2900 0.7251 0.3637 ( 5045 PWs) bands (ev): -13.9750 -13.9750 -13.9389 -13.9389 -13.9033 -13.9033 -13.9005 -13.9005 -12.9680 -12.9680 -12.9456 -12.9456 -12.8912 -12.8912 -12.8604 -12.8604 -12.8341 -12.8341 -12.8266 -12.8266 -0.5220 -0.5220 1.6665 1.6665 4.7364 4.7364 5.2883 5.2883 5.9669 5.9669 6.2152 6.2152 7.5100 7.5100 7.9974 7.9974 8.9105 8.9105 9.6624 9.6624 10.2430 10.2430 k =-0.2900 0.7251 0.3839 ( 5037 PWs) bands (ev): -13.9741 -13.9741 -13.9398 -13.9398 -13.9031 -13.9031 -13.9003 -13.9003 -12.9673 -12.9673 -12.9453 -12.9453 -12.8915 -12.8915 -12.8616 -12.8616 -12.8343 -12.8343 -12.8266 -12.8266 -0.4836 -0.4836 1.6028 1.6028 4.7637 4.7637 5.2677 5.2677 5.9745 5.9745 6.2434 6.2434 7.4999 7.4999 7.9442 7.9442 8.9266 8.9266 9.7284 9.7284 10.3114 10.3114 k =-0.2900 0.7251 0.4041 ( 5043 PWs) bands (ev): -13.9732 -13.9732 -13.9406 -13.9406 -13.9028 -13.9028 -13.9002 -13.9002 -12.9665 -12.9665 -12.9450 -12.9450 -12.8918 -12.8918 -12.8627 -12.8627 -12.8344 -12.8344 -12.8267 -12.8267 -0.4433 -0.4433 1.5374 1.5374 4.7889 4.7889 5.2474 5.2474 5.9849 5.9849 6.2721 6.2721 7.4913 7.4913 7.8935 7.8935 8.9450 8.9450 9.7946 9.7946 10.3811 10.3811 k =-0.2900 0.7251 0.4243 ( 5038 PWs) bands (ev): -13.9723 -13.9723 -13.9415 -13.9415 -13.9025 -13.9025 -13.9000 -13.9000 -12.9657 -12.9657 -12.9448 -12.9448 -12.8921 -12.8921 -12.8639 -12.8639 -12.8345 -12.8345 -12.8268 -12.8268 -0.4012 -0.4012 1.4705 1.4705 4.8119 4.8119 5.2274 5.2274 5.9983 5.9983 6.3005 6.3005 7.4842 7.4842 7.8456 7.8456 8.9662 8.9662 9.8601 9.8601 10.4515 10.4515 k =-0.2900 0.7251 0.4445 ( 5046 PWs) bands (ev): -13.9713 -13.9713 -13.9424 -13.9424 -13.9023 -13.9023 -13.8998 -13.8998 -12.9648 -12.9648 -12.9447 -12.9447 -12.8923 -12.8923 -12.8651 -12.8651 -12.8346 -12.8346 -12.8269 -12.8269 -0.3572 -0.3572 1.4025 1.4025 4.8324 4.8324 5.2078 5.2078 6.0149 6.0149 6.3281 6.3281 7.4785 7.4785 7.8007 7.8007 8.9903 8.9903 9.9233 9.9233 10.5221 10.5221 k =-0.2900 0.7251 0.4647 ( 5044 PWs) bands (ev): -13.9703 -13.9703 -13.9433 -13.9433 -13.9020 -13.9020 -13.8997 -13.8997 -12.9639 -12.9639 -12.9446 -12.9446 -12.8925 -12.8925 -12.8664 -12.8664 -12.8347 -12.8347 -12.8271 -12.8271 -0.3113 -0.3113 1.3335 1.3335 4.8505 4.8505 5.1887 5.1887 6.0346 6.0346 6.3544 6.3544 7.4740 7.4740 7.7589 7.7589 9.0176 9.0176 9.9822 9.9822 10.5910 10.5910 k =-0.2900 0.7251 0.4849 ( 5040 PWs) bands (ev): -13.9693 -13.9693 -13.9442 -13.9442 -13.9018 -13.9018 -13.8995 -13.8995 -12.9630 -12.9630 -12.9446 -12.9446 -12.8926 -12.8926 -12.8677 -12.8677 -12.8346 -12.8346 -12.8272 -12.8272 -0.2638 -0.2638 1.2637 1.2637 4.8661 4.8661 5.1701 5.1701 6.0571 6.0571 6.3788 6.3788 7.4708 7.4708 7.7205 7.7205 9.0483 9.0483 10.0331 10.0331 10.6100 10.6100 k =-0.2900 0.7251 0.5051 ( 5040 PWs) bands (ev): -13.9683 -13.9683 -13.9452 -13.9452 -13.9016 -13.9016 -13.8994 -13.8994 -12.9621 -12.9621 -12.9446 -12.9446 -12.8926 -12.8926 -12.8691 -12.8691 -12.8345 -12.8345 -12.8274 -12.8274 -0.2145 -0.2145 1.1934 1.1934 4.8794 4.8794 5.1523 5.1523 6.0822 6.0822 6.4006 6.4006 7.4687 7.4687 7.6856 7.6856 9.0824 9.0824 10.0716 10.0716 10.6132 10.6132 k =-0.2900 0.7251 0.5253 ( 5041 PWs) bands (ev): -13.9673 -13.9673 -13.9461 -13.9461 -13.9014 -13.9014 -13.8992 -13.8992 -12.9612 -12.9612 -12.9448 -12.9448 -12.8925 -12.8925 -12.8705 -12.8705 -12.8344 -12.8344 -12.8276 -12.8276 -0.1635 -0.1635 1.1227 1.1227 4.8906 4.8906 5.1352 5.1352 6.1093 6.1093 6.4194 6.4194 7.4676 7.4676 7.6542 7.6542 9.1198 9.1198 10.0928 10.0928 10.6307 10.6307 k =-0.2900 0.7251 0.5455 ( 5040 PWs) bands (ev): -13.9662 -13.9662 -13.9471 -13.9471 -13.9012 -13.9012 -13.8991 -13.8991 -12.9602 -12.9602 -12.9450 -12.9450 -12.8923 -12.8923 -12.8719 -12.8719 -12.8342 -12.8342 -12.8278 -12.8278 -0.1108 -0.1108 1.0518 1.0518 4.8999 4.8999 5.1190 5.1190 6.1381 6.1381 6.4348 6.4348 7.4676 7.4676 7.6264 7.6264 9.1606 9.1606 10.0942 10.0942 10.6656 10.6656 k =-0.2900 0.7251 0.5658 ( 5035 PWs) bands (ev): -13.9652 -13.9652 -13.9481 -13.9481 -13.9010 -13.9010 -13.8990 -13.8990 -12.9592 -12.9592 -12.9453 -12.9453 -12.8919 -12.8919 -12.8733 -12.8733 -12.8340 -12.8340 -12.8281 -12.8281 -0.0566 -0.0566 0.9809 0.9809 4.9076 4.9076 5.1039 5.1039 6.1680 6.1680 6.4463 6.4463 7.4685 7.4685 7.6021 7.6021 9.2047 9.2047 10.0772 10.0772 10.7168 10.7168 k =-0.2900 0.7251 0.5860 ( 5045 PWs) bands (ev): -13.9641 -13.9641 -13.9491 -13.9491 -13.9009 -13.9009 -13.8990 -13.8990 -12.9582 -12.9582 -12.9458 -12.9458 -12.8915 -12.8915 -12.8748 -12.8748 -12.8337 -12.8337 -12.8284 -12.8284 -0.0007 -0.0007 0.9101 0.9101 4.9140 4.9140 5.0899 5.0899 6.1985 6.1985 6.4538 6.4538 7.4702 7.4702 7.5811 7.5811 9.2519 9.2519 10.0455 10.0455 10.7804 10.7804 k =-0.2900 0.7251 0.6062 ( 5043 PWs) bands (ev): -13.9630 -13.9630 -13.9501 -13.9501 -13.9007 -13.9007 -13.8989 -13.8989 -12.9572 -12.9572 -12.9463 -12.9463 -12.8909 -12.8909 -12.8763 -12.8763 -12.8334 -12.8334 -12.8287 -12.8287 0.0566 0.0566 0.8396 0.8396 4.9193 4.9193 5.0772 5.0772 6.2291 6.2291 6.4572 6.4572 7.4727 7.4727 7.5631 7.5631 9.3019 9.3019 10.0031 10.0031 10.8515 10.8515 k =-0.2900 0.7251 0.6264 ( 5047 PWs) bands (ev): -13.9620 -13.9620 -13.9512 -13.9512 -13.9006 -13.9006 -13.8988 -13.8988 -12.9562 -12.9562 -12.9469 -12.9469 -12.8901 -12.8901 -12.8777 -12.8777 -12.8330 -12.8330 -12.8290 -12.8290 0.1154 0.1154 0.7696 0.7696 4.9237 4.9237 5.0660 5.0660 6.2592 6.2592 6.4563 6.4563 7.4759 7.4759 7.5479 7.5479 9.3545 9.3545 9.9534 9.9534 10.9254 10.9254 k =-0.2900 0.7251 0.6466 ( 5043 PWs) bands (ev): -13.9609 -13.9609 -13.9522 -13.9522 -13.9005 -13.9005 -13.8988 -13.8988 -12.9551 -12.9551 -12.9476 -12.9476 -12.8893 -12.8893 -12.8792 -12.8792 -12.8327 -12.8327 -12.8294 -12.8294 0.1755 0.1755 0.7001 0.7001 4.9273 4.9273 5.0563 5.0563 6.2884 6.2884 6.4515 6.4515 7.4796 7.4796 7.5352 7.5352 9.4094 9.4094 9.8988 9.8988 10.9969 10.9969 k =-0.2900 0.7251 0.6668 ( 5046 PWs) bands (ev): -13.9598 -13.9598 -13.9533 -13.9533 -13.9004 -13.9004 -13.8988 -13.8988 -12.9541 -12.9541 -12.9484 -12.9484 -12.8883 -12.8883 -12.8807 -12.8807 -12.8323 -12.8323 -12.8298 -12.8298 0.2370 0.2370 0.6313 0.6313 4.9302 4.9302 5.0485 5.0485 6.3161 6.3161 6.4429 6.4429 7.4839 7.4839 7.5245 7.5245 9.4660 9.4660 9.8413 9.8413 11.0599 11.0599 k =-0.2900 0.7251 0.6870 ( 5042 PWs) bands (ev): -13.9587 -13.9587 -13.9544 -13.9544 -13.9003 -13.9003 -13.8987 -13.8987 -12.9531 -12.9531 -12.9492 -12.9492 -12.8873 -12.8873 -12.8821 -12.8821 -12.8319 -12.8319 -12.8301 -12.8301 0.2997 0.2997 0.5634 0.5634 4.9323 4.9323 5.0427 5.0427 6.3416 6.3416 6.4312 6.4312 7.4886 7.4886 7.5155 7.5155 9.5235 9.5235 9.7826 9.7826 11.1080 11.1080 k =-0.2900 0.7251 0.7072 ( 5044 PWs) bands (ev): -13.9576 -13.9576 -13.9554 -13.9554 -13.9003 -13.9003 -13.8987 -13.8987 -12.9521 -12.9521 -12.9501 -12.9501 -12.8861 -12.8861 -12.8834 -12.8834 -12.8315 -12.8315 -12.8305 -12.8305 0.3632 0.3632 0.4967 0.4967 4.9336 4.9336 5.0392 5.0392 6.3633 6.3633 6.4177 6.4177 7.4936 7.4936 7.5080 7.5080 9.5788 9.5788 9.7264 9.7264 11.1371 11.1371 k =-0.2900 0.7251 0.7274 ( 5042 PWs) bands (ev): -13.9566 -13.9566 -13.9564 -13.9564 -13.9003 -13.9003 -13.8987 -13.8987 -12.9514 -12.9514 -12.9508 -12.9508 -12.8853 -12.8853 -12.8843 -12.8843 -12.8313 -12.8313 -12.8307 -12.8307 0.4180 0.4180 0.4409 0.4409 4.9341 4.9341 5.0380 5.0380 6.3743 6.3743 6.4095 6.4095 7.4971 7.4971 7.5037 7.5037 9.6122 9.6122 9.6926 9.6926 11.1466 11.1466 k =-0.2900 0.7251 0.7274 ( 5042 PWs) bands (ev): -13.9566 -13.9566 -13.9564 -13.9564 -13.9003 -13.9003 -13.8987 -13.8987 -12.9514 -12.9514 -12.9508 -12.9508 -12.8853 -12.8853 -12.8843 -12.8843 -12.8313 -12.8313 -12.8307 -12.8307 0.4180 0.4180 0.4409 0.4409 4.9341 4.9341 5.0380 5.0380 6.3743 6.3743 6.4095 6.4095 7.4971 7.4971 7.5037 7.5037 9.6122 9.6122 9.6926 9.6926 11.1466 11.1466 k =-0.2975 0.7064 0.7274 ( 5042 PWs) bands (ev): -13.9566 -13.9566 -13.9564 -13.9564 -13.9003 -13.9003 -13.8987 -13.8987 -12.9513 -12.9513 -12.9508 -12.9508 -12.8852 -12.8852 -12.8843 -12.8843 -12.8314 -12.8314 -12.8307 -12.8307 0.4274 0.4274 0.4512 0.4512 4.8943 4.8943 4.9964 4.9964 6.3911 6.3911 6.4243 6.4243 7.5131 7.5131 7.5185 7.5185 9.5017 9.5017 9.5848 9.5848 11.2066 11.2066 k =-0.3050 0.6876 0.7274 ( 5032 PWs) bands (ev): -13.9565 -13.9565 -13.9564 -13.9564 -13.9002 -13.9002 -13.8986 -13.8986 -12.9512 -12.9512 -12.9507 -12.9507 -12.8851 -12.8851 -12.8842 -12.8842 -12.8315 -12.8315 -12.8306 -12.8306 0.4373 0.4373 0.4619 0.4619 4.8545 4.8545 4.9547 4.9547 6.4058 6.4058 6.4367 6.4367 7.5314 7.5314 7.5361 7.5361 9.3915 9.3915 9.4769 9.4769 11.2478 11.2478 k =-0.3125 0.6689 0.7274 ( 5032 PWs) bands (ev): -13.9565 -13.9565 -13.9564 -13.9564 -13.9002 -13.9002 -13.8986 -13.8986 -12.9512 -12.9512 -12.9507 -12.9507 -12.8850 -12.8850 -12.8841 -12.8841 -12.8316 -12.8316 -12.8306 -12.8306 0.4477 0.4477 0.4730 0.4730 4.8150 4.8150 4.9133 4.9133 6.4181 6.4181 6.4464 6.4464 7.5528 7.5528 7.5570 7.5570 9.2820 9.2820 9.3693 9.3693 11.2726 11.2726 k =-0.3200 0.6501 0.7274 ( 5036 PWs) bands (ev): -13.9564 -13.9564 -13.9563 -13.9563 -13.9001 -13.9001 -13.8985 -13.8985 -12.9511 -12.9511 -12.9506 -12.9506 -12.8849 -12.8849 -12.8840 -12.8840 -12.8317 -12.8317 -12.8306 -12.8306 0.4585 0.4585 0.4844 0.4844 4.7760 4.7760 4.8723 4.8723 6.4278 6.4278 6.4533 6.4533 7.5777 7.5777 7.5818 7.5818 9.1732 9.1732 9.2621 9.2621 11.2849 11.2849 k =-0.3275 0.6313 0.7274 ( 5040 PWs) bands (ev): -13.9564 -13.9564 -13.9563 -13.9563 -13.9001 -13.9001 -13.8984 -13.8984 -12.9511 -12.9511 -12.9506 -12.9506 -12.8848 -12.8848 -12.8839 -12.8839 -12.8317 -12.8317 -12.8306 -12.8306 0.4697 0.4697 0.4960 0.4960 4.7379 4.7379 4.8320 4.8320 6.4347 6.4347 6.4572 6.4572 7.6066 7.6066 7.6108 7.6108 9.0655 9.0655 9.1556 9.1556 11.2881 11.2881 k =-0.3350 0.6126 0.7274 ( 5040 PWs) bands (ev): -13.9563 -13.9563 -13.9563 -13.9563 -13.9000 -13.9000 -13.8984 -13.8984 -12.9510 -12.9510 -12.9506 -12.9506 -12.8846 -12.8846 -12.8838 -12.8838 -12.8318 -12.8318 -12.8306 -12.8306 0.4811 0.4811 0.5078 0.5078 4.7008 4.7008 4.7928 4.7928 6.4388 6.4388 6.4583 6.4583 7.6400 7.6400 7.6444 7.6444 8.9591 8.9591 9.0501 9.0501 11.2846 11.2846 k =-0.3425 0.5938 0.7274 ( 5040 PWs) bands (ev): -13.9563 -13.9563 -13.9563 -13.9563 -13.9000 -13.9000 -13.8983 -13.8983 -12.9509 -12.9509 -12.9505 -12.9505 -12.8845 -12.8845 -12.8837 -12.8837 -12.8319 -12.8319 -12.8306 -12.8306 0.4926 0.4926 0.5197 0.5197 4.6650 4.6650 4.7548 4.7548 6.4402 6.4402 6.4566 6.4566 7.6780 7.6780 7.6827 7.6827 8.8541 8.8541 8.9458 8.9458 11.2755 11.2755 k =-0.3500 0.5751 0.7274 ( 5046 PWs) bands (ev): -13.9563 -13.9563 -13.9562 -13.9562 -13.8999 -13.8999 -13.8983 -13.8983 -12.9508 -12.9508 -12.9505 -12.9505 -12.8843 -12.8843 -12.8836 -12.8836 -12.8320 -12.8320 -12.8306 -12.8306 0.5042 0.5042 0.5315 0.5315 4.6307 4.6307 4.7182 4.7182 6.4390 6.4390 6.4524 6.4524 7.7208 7.7208 7.7257 7.7257 8.7508 8.7508 8.8431 8.8431 11.2615 11.2615 k =-0.3575 0.5563 0.7274 ( 5042 PWs) bands (ev): -13.9562 -13.9562 -13.9562 -13.9562 -13.8998 -13.8998 -13.8982 -13.8982 -12.9508 -12.9508 -12.9504 -12.9504 -12.8842 -12.8842 -12.8835 -12.8835 -12.8320 -12.8320 -12.8307 -12.8307 0.5159 0.5159 0.5432 0.5432 4.5982 4.5982 4.6832 4.6832 6.4355 6.4355 6.4461 6.4461 7.7684 7.7684 7.7732 7.7732 8.6494 8.6494 8.7424 8.7424 11.2428 11.2428 k =-0.3650 0.5376 0.7274 ( 5030 PWs) bands (ev): -13.9562 -13.9562 -13.9561 -13.9561 -13.8997 -13.8997 -13.8981 -13.8981 -12.9507 -12.9507 -12.9504 -12.9504 -12.8840 -12.8840 -12.8833 -12.8833 -12.8321 -12.8321 -12.8307 -12.8307 0.5275 0.5275 0.5546 0.5546 4.5675 4.5675 4.6500 4.6500 6.4301 6.4301 6.4379 6.4379 7.8207 7.8207 7.8249 7.8249 8.5504 8.5504 8.6442 8.6442 11.2192 11.2192 k =-0.3725 0.5188 0.7274 ( 5042 PWs) bands (ev): -13.9562 -13.9562 -13.9561 -13.9561 -13.8996 -13.8996 -13.8981 -13.8981 -12.9506 -12.9506 -12.9504 -12.9504 -12.8839 -12.8839 -12.8832 -12.8832 -12.8321 -12.8321 -12.8307 -12.8307 0.5389 0.5389 0.5658 0.5658 4.5388 4.5388 4.6186 4.6186 6.4230 6.4230 6.4283 6.4283 7.8774 7.8774 7.8802 7.8802 8.4541 8.4541 8.5493 8.5493 11.1902 11.1902 k =-0.3800 0.5000 0.7274 ( 5034 PWs) bands (ev): -13.9561 -13.9561 -13.9560 -13.9560 -13.8995 -13.8995 -13.8980 -13.8980 -12.9506 -12.9506 -12.9503 -12.9503 -12.8837 -12.8837 -12.8831 -12.8831 -12.8321 -12.8321 -12.8307 -12.8307 0.5501 0.5501 0.5766 0.5766 4.5122 4.5122 4.5892 4.5892 6.4147 6.4147 6.4177 6.4177 7.9375 7.9375 7.9379 7.9379 8.3612 8.3612 8.4592 8.4592 11.1548 11.1552 k =-0.3875 0.4813 0.7274 ( 5030 PWs) bands (ev): -13.9561 -13.9561 -13.9560 -13.9560 -13.8994 -13.8994 -13.8980 -13.8980 -12.9505 -12.9505 -12.9503 -12.9503 -12.8836 -12.8836 -12.8829 -12.8829 -12.8322 -12.8322 -12.8308 -12.8308 0.5610 0.5610 0.5869 0.5869 4.4879 4.4879 4.5619 4.5619 6.4056 6.4056 6.4065 6.4065 7.9937 7.9937 8.0005 8.0005 8.2738 8.2738 8.3773 8.3773 11.1069 11.1069 k =-0.3950 0.4625 0.7274 ( 5046 PWs) bands (ev): -13.9561 -13.9561 -13.9560 -13.9560 -13.8993 -13.8993 -13.8979 -13.8979 -12.9504 -12.9504 -12.9502 -12.9502 -12.8834 -12.8834 -12.8828 -12.8828 -12.8322 -12.8322 -12.8309 -12.8309 0.5715 0.5715 0.5967 0.5967 4.4658 4.4658 4.5365 4.5365 6.3951 6.3951 6.3961 6.3961 8.0397 8.0397 8.0566 8.0566 8.2001 8.2001 8.3127 8.3127 11.0506 11.0506 k =-0.4025 0.4438 0.7274 ( 5050 PWs) bands (ev): -13.9560 -13.9560 -13.9559 -13.9559 -13.8992 -13.8992 -13.8979 -13.8979 -12.9504 -12.9504 -12.9502 -12.9502 -12.8833 -12.8833 -12.8827 -12.8827 -12.8322 -12.8322 -12.8309 -12.8309 0.5816 0.5816 0.6059 0.6059 4.4460 4.4460 4.5133 4.5133 6.3838 6.3838 6.3864 6.3864 8.0527 8.0527 8.0567 8.0567 8.1903 8.1903 8.2884 8.2884 10.9849 10.9849 k =-0.4100 0.4250 0.7274 ( 5054 PWs) bands (ev): -13.9560 -13.9560 -13.9559 -13.9559 -13.8991 -13.8991 -13.8979 -13.8979 -12.9503 -12.9503 -12.9501 -12.9501 -12.8831 -12.8831 -12.8826 -12.8826 -12.8322 -12.8322 -12.8310 -12.8310 0.5912 0.5912 0.6144 0.6144 4.4285 4.4285 4.4920 4.4920 6.3730 6.3730 6.3770 6.3770 7.9934 7.9934 8.0180 8.0180 8.2515 8.2515 8.3191 8.3191 10.9094 10.9094 k =-0.4175 0.4063 0.7274 ( 5054 PWs) bands (ev): -13.9560 -13.9560 -13.9559 -13.9559 -13.8990 -13.8990 -13.8978 -13.8978 -12.9503 -12.9503 -12.9501 -12.9501 -12.8830 -12.8830 -12.8825 -12.8825 -12.8323 -12.8323 -12.8311 -12.8311 0.6003 0.6003 0.6223 0.6223 4.4132 4.4132 4.4728 4.4728 6.3628 6.3628 6.3679 6.3679 7.9215 7.9215 7.9585 7.9585 8.3292 8.3292 8.3820 8.3820 10.8247 10.8247 k =-0.4250 0.3875 0.7274 ( 5054 PWs) bands (ev): -13.9559 -13.9559 -13.9558 -13.9558 -13.8989 -13.8989 -13.8978 -13.8978 -12.9502 -12.9502 -12.9500 -12.9500 -12.8828 -12.8828 -12.8824 -12.8824 -12.8322 -12.8322 -12.8311 -12.8311 0.6088 0.6088 0.6294 0.6294 4.4002 4.4002 4.4554 4.4554 6.3536 6.3536 6.3596 6.3596 7.8516 7.8516 7.8927 7.8927 8.4128 8.4128 8.4588 8.4588 10.7319 10.7319 k =-0.4325 0.3688 0.7274 ( 5058 PWs) bands (ev): -13.9559 -13.9559 -13.9558 -13.9558 -13.8988 -13.8988 -13.8978 -13.8978 -12.9501 -12.9501 -12.9500 -12.9500 -12.8827 -12.8827 -12.8823 -12.8823 -12.8322 -12.8322 -12.8312 -12.8312 0.6167 0.6167 0.6358 0.6358 4.3892 4.3892 4.4399 4.4399 6.3454 6.3454 6.3520 6.3520 7.7859 7.7859 7.8274 7.8274 8.5003 8.5003 8.5426 8.5426 10.6328 10.6328 k =-0.4400 0.3500 0.7274 ( 5070 PWs) bands (ev): -13.9559 -13.9559 -13.9558 -13.9558 -13.8987 -13.8987 -13.8978 -13.8978 -12.9501 -12.9501 -12.9500 -12.9500 -12.8826 -12.8826 -12.8823 -12.8823 -12.8322 -12.8322 -12.8313 -12.8313 0.6240 0.6240 0.6413 0.6413 4.3802 4.3802 4.4262 4.4262 6.3384 6.3384 6.3453 6.3453 7.7254 7.7254 7.7653 7.7653 8.5906 8.5906 8.6306 8.6306 10.5292 10.5292 k =-0.4475 0.3312 0.7274 ( 5076 PWs) bands (ev): -13.9559 -13.9559 -13.9558 -13.9558 -13.8986 -13.8986 -13.8978 -13.8978 -12.9501 -12.9501 -12.9500 -12.9500 -12.8825 -12.8825 -12.8822 -12.8822 -12.8322 -12.8322 -12.8314 -12.8314 0.6306 0.6306 0.6461 0.6461 4.3731 4.3731 4.4140 4.4140 6.3326 6.3326 6.3395 6.3395 7.6708 7.6708 7.7079 7.7079 8.6830 8.6830 8.7214 8.7214 10.4228 10.4228 k =-0.4550 0.3125 0.7274 ( 5064 PWs) bands (ev): -13.9558 -13.9558 -13.9557 -13.9557 -13.8985 -13.8985 -13.8978 -13.8978 -12.9500 -12.9500 -12.9499 -12.9499 -12.8824 -12.8824 -12.8821 -12.8821 -12.8322 -12.8322 -12.8314 -12.8314 0.6365 0.6365 0.6501 0.6501 4.3677 4.3677 4.4033 4.4033 6.3279 6.3279 6.3346 6.3346 7.6226 7.6226 7.6560 7.6560 8.7766 8.7766 8.8136 8.8136 10.3158 10.3158 k =-0.4625 0.2937 0.7274 ( 5060 PWs) bands (ev): -13.9558 -13.9558 -13.9557 -13.9557 -13.8984 -13.8984 -13.8978 -13.8978 -12.9500 -12.9500 -12.9499 -12.9499 -12.8823 -12.8823 -12.8821 -12.8821 -12.8321 -12.8321 -12.8315 -12.8315 0.6417 0.6417 0.6532 0.6532 4.3639 4.3639 4.3940 4.3940 6.3244 6.3244 6.3305 6.3305 7.5814 7.5814 7.6103 7.6103 8.8701 8.8701 8.9056 8.9056 10.2104 10.2104 k =-0.4700 0.2750 0.7274 ( 5052 PWs) bands (ev): -13.9558 -13.9558 -13.9557 -13.9557 -13.8983 -13.8983 -13.8978 -13.8978 -12.9499 -12.9499 -12.9499 -12.9499 -12.8822 -12.8822 -12.8820 -12.8820 -12.8321 -12.8321 -12.8316 -12.8316 0.6463 0.6463 0.6556 0.6556 4.3616 4.3616 4.3860 4.3860 6.3219 6.3219 6.3272 6.3272 7.5476 7.5476 7.5714 7.5714 8.9618 8.9618 8.9950 8.9950 10.1092 10.1092 k =-0.4775 0.2562 0.7274 ( 5048 PWs) bands (ev): -13.9557 -13.9557 -13.9557 -13.9557 -13.8982 -13.8982 -13.8978 -13.8978 -12.9499 -12.9499 -12.9499 -12.9499 -12.8821 -12.8821 -12.8820 -12.8820 -12.8320 -12.8320 -12.8316 -12.8316 0.6500 0.6500 0.6571 0.6571 4.3607 4.3607 4.3791 4.3791 6.3204 6.3204 6.3246 6.3246 7.5216 7.5216 7.5399 7.5399 9.0485 9.0485 9.0782 9.0782 10.0166 10.0166 k =-0.4850 0.2375 0.7274 ( 5044 PWs) bands (ev): -13.9557 -13.9557 -13.9557 -13.9557 -13.8981 -13.8981 -13.8979 -13.8979 -12.9499 -12.9499 -12.9498 -12.9498 -12.8821 -12.8821 -12.8820 -12.8820 -12.8320 -12.8320 -12.8317 -12.8317 0.6531 0.6531 0.6578 0.6578 4.3610 4.3610 4.3734 4.3734 6.3196 6.3196 6.3226 6.3226 7.5037 7.5037 7.5161 7.5161 9.1250 9.1250 9.1486 9.1486 9.9393 9.9393 k =-0.4925 0.2187 0.7274 ( 5044 PWs) bands (ev): -13.9557 -13.9557 -13.9557 -13.9557 -13.8980 -13.8980 -13.8979 -13.8979 -12.9499 -12.9499 -12.9498 -12.9498 -12.8820 -12.8820 -12.8820 -12.8820 -12.8319 -12.8319 -12.8318 -12.8318 0.6554 0.6554 0.6578 0.6578 4.3625 4.3625 4.3687 4.3687 6.3196 6.3196 6.3211 6.3211 7.4941 7.4941 7.5004 7.5004 9.1824 9.1824 9.1961 9.1961 9.8878 9.8878 k =-0.5000 0.2000 0.7274 ( 5040 PWs) bands (ev): -13.9557 -13.9557 -13.9557 -13.9557 -13.8980 -13.8980 -13.8980 -13.8980 -12.9498 -12.9498 -12.9498 -12.9498 -12.8820 -12.8820 -12.8820 -12.8820 -12.8318 -12.8318 -12.8318 -12.8318 0.6570 0.6570 0.6570 0.6570 4.3651 4.3651 4.3651 4.3651 6.3201 6.3201 6.3201 6.3201 7.4930 7.4930 7.4930 7.4930 9.2087 9.2087 9.2087 9.2087 9.8739 9.8739 k =-0.5000 0.2000 0.7274 ( 5040 PWs) bands (ev): -13.9557 -13.9557 -13.9557 -13.9557 -13.8980 -13.8980 -13.8980 -13.8980 -12.9498 -12.9498 -12.9498 -12.9498 -12.8820 -12.8820 -12.8820 -12.8820 -12.8318 -12.8318 -12.8318 -12.8318 0.6570 0.6570 0.6570 0.6570 4.3651 4.3651 4.3651 4.3651 6.3201 6.3201 6.3201 6.3201 7.4930 7.4930 7.4930 7.4930 9.2087 9.2087 9.2087 9.2087 9.8739 9.8739 k =-0.5000 0.2000 0.7072 ( 5034 PWs) bands (ev): -13.9568 -13.9568 -13.9546 -13.9546 -13.8981 -13.8981 -13.8978 -13.8978 -12.9508 -12.9508 -12.9489 -12.9489 -12.8830 -12.8830 -12.8810 -12.8810 -12.8321 -12.8321 -12.8315 -12.8315 0.5682 0.5682 0.7460 0.7460 4.2878 4.2878 4.4456 4.4456 6.3028 6.3028 6.3409 6.3409 7.4517 7.4517 7.5356 7.5356 9.1410 9.1410 9.2785 9.2785 9.8259 9.8259 k =-0.5000 0.2000 0.6870 ( 5038 PWs) bands (ev): -13.9578 -13.9578 -13.9536 -13.9536 -13.8983 -13.8983 -13.8978 -13.8978 -12.9518 -12.9518 -12.9481 -12.9481 -12.8839 -12.8839 -12.8799 -12.8799 -12.8324 -12.8324 -12.8313 -12.8313 0.4798 0.4798 0.8347 0.8347 4.2143 4.2143 4.5288 4.5288 6.2888 6.2888 6.3652 6.3652 7.4117 7.4117 7.5795 7.5795 9.0755 9.0755 9.3501 9.3501 9.7806 9.7806 k =-0.5000 0.2000 0.6668 ( 5038 PWs) bands (ev): -13.9589 -13.9589 -13.9526 -13.9526 -13.8985 -13.8985 -13.8978 -13.8978 -12.9529 -12.9529 -12.9473 -12.9473 -12.8848 -12.8848 -12.8788 -12.8788 -12.8327 -12.8327 -12.8310 -12.8310 0.3923 0.3923 0.9225 0.9225 4.1455 4.1455 4.6140 4.6140 6.2782 6.2782 6.3932 6.3932 7.3731 7.3731 7.6247 7.6247 9.0125 9.0125 9.4234 9.4234 9.7382 9.7382 k =-0.5000 0.2000 0.6466 ( 5040 PWs) bands (ev): -13.9600 -13.9600 -13.9516 -13.9516 -13.8987 -13.8987 -13.8978 -13.8978 -12.9540 -12.9540 -12.9466 -12.9466 -12.8856 -12.8856 -12.8777 -12.8777 -12.8330 -12.8330 -12.8308 -12.8308 0.3059 0.3059 1.0089 1.0089 4.0821 4.0821 4.7007 4.7007 6.2706 6.2706 6.4250 6.4250 7.3358 7.3358 7.6712 7.6712 8.9521 8.9521 9.4979 9.4979 9.6993 9.6993 k =-0.5000 0.2000 0.6264 ( 5030 PWs) bands (ev): -13.9611 -13.9611 -13.9506 -13.9506 -13.8990 -13.8990 -13.8978 -13.8978 -12.9551 -12.9551 -12.9459 -12.9459 -12.8864 -12.8864 -12.8765 -12.8765 -12.8333 -12.8333 -12.8305 -12.8305 0.2208 0.2208 1.0932 1.0932 4.0249 4.0249 4.7883 4.7883 6.2660 6.2660 6.4605 6.4605 7.2999 7.2999 7.7191 7.7191 8.8946 8.8946 9.5725 9.5725 9.6646 9.6646 k =-0.5000 0.2000 0.6062 ( 5038 PWs) bands (ev): -13.9622 -13.9622 -13.9497 -13.9497 -13.8993 -13.8993 -13.8979 -13.8979 -12.9562 -12.9562 -12.9454 -12.9454 -12.8871 -12.8871 -12.8753 -12.8753 -12.8336 -12.8336 -12.8303 -12.8303 0.1373 0.1373 1.1745 1.1745 3.9748 3.9748 4.8762 4.8762 6.2642 6.2642 6.4999 6.4999 7.2657 7.2657 7.7685 7.7685 8.8401 8.8401 9.6195 9.6195 9.6614 9.6614 k =-0.5000 0.2000 0.5860 ( 5038 PWs) bands (ev): -13.9634 -13.9634 -13.9487 -13.9487 -13.8996 -13.8996 -13.8981 -13.8981 -12.9573 -12.9573 -12.9449 -12.9449 -12.8878 -12.8878 -12.8741 -12.8741 -12.8338 -12.8338 -12.8301 -12.8301 0.0555 0.0555 1.2521 1.2521 3.9328 3.9328 4.9638 4.9638 6.2651 6.2651 6.5431 6.5431 7.2332 7.2332 7.8192 7.8192 8.7888 8.7888 9.5947 9.5947 9.7335 9.7335 k =-0.5000 0.2000 0.5658 ( 5026 PWs) bands (ev): -13.9645 -13.9645 -13.9478 -13.9478 -13.8999 -13.8999 -13.8983 -13.8983 -12.9584 -12.9584 -12.9446 -12.9446 -12.8883 -12.8883 -12.8729 -12.8729 -12.8341 -12.8341 -12.8299 -12.8299 -0.0244 -0.0244 1.3250 1.3250 3.9000 3.9000 5.0504 5.0504 6.2683 6.2683 6.5902 6.5902 7.2026 7.2026 7.8713 7.8713 8.7410 8.7410 9.5663 9.5663 9.8115 9.8115 k =-0.5000 0.2000 0.5455 ( 5022 PWs) bands (ev): -13.9656 -13.9656 -13.9469 -13.9469 -13.9003 -13.9003 -13.8985 -13.8985 -12.9596 -12.9596 -12.9443 -12.9443 -12.8889 -12.8889 -12.8716 -12.8716 -12.8343 -12.8343 -12.8298 -12.8298 -0.1023 -0.1023 1.3922 1.3922 3.8774 3.8774 5.1355 5.1355 6.2737 6.2737 6.6413 6.6413 7.1742 7.1742 7.9248 7.9248 8.6968 8.6968 9.5387 9.5387 9.8903 9.8903 k =-0.5000 0.2000 0.5253 ( 5032 PWs) bands (ev): -13.9667 -13.9667 -13.9460 -13.9460 -13.9007 -13.9007 -13.8987 -13.8987 -12.9607 -12.9607 -12.9441 -12.9441 -12.8894 -12.8894 -12.8704 -12.8704 -12.8345 -12.8345 -12.8296 -12.8296 -0.1780 -0.1780 1.4527 1.4527 3.8661 3.8661 5.2183 5.2183 6.2811 6.2811 6.6963 6.6963 7.1482 7.1482 7.9796 7.9796 8.6566 8.6566 9.5114 9.5114 9.9680 9.9680 k =-0.5000 0.2000 0.5051 ( 5028 PWs) bands (ev): -13.9678 -13.9678 -13.9452 -13.9452 -13.9011 -13.9011 -13.8991 -13.8991 -12.9618 -12.9618 -12.9440 -12.9440 -12.8899 -12.8899 -12.8692 -12.8692 -12.8347 -12.8347 -12.8295 -12.8295 -0.2515 -0.2515 1.5058 1.5058 3.8669 3.8669 5.2982 5.2982 6.2902 6.2902 6.7551 6.7551 7.1249 7.1249 8.0356 8.0356 8.6205 8.6205 9.4836 9.4836 10.0191 10.0191 k =-0.5000 0.2000 0.4849 ( 5028 PWs) bands (ev): -13.9689 -13.9689 -13.9444 -13.9444 -13.9014 -13.9014 -13.8994 -13.8994 -12.9629 -12.9629 -12.9440 -12.9440 -12.8903 -12.8903 -12.8679 -12.8679 -12.8349 -12.8349 -12.8293 -12.8293 -0.3226 -0.3226 1.5506 1.5506 3.8807 3.8807 5.3744 5.3744 6.3006 6.3006 6.8178 6.8178 7.1046 7.1046 8.0926 8.0926 8.5889 8.5889 9.4547 9.4547 9.9521 9.9521 k =-0.5000 0.2000 0.4647 ( 5026 PWs) bands (ev): -13.9699 -13.9699 -13.9436 -13.9436 -13.9018 -13.9018 -13.8998 -13.8998 -12.9639 -12.9639 -12.9441 -12.9441 -12.8907 -12.8907 -12.8667 -12.8667 -12.8351 -12.8351 -12.8292 -12.8292 -0.3914 -0.3914 1.5868 1.5868 3.9079 3.9079 5.4462 5.4462 6.3121 6.3121 6.8840 6.8840 7.0877 7.0877 8.1503 8.1503 8.5619 8.5619 9.4245 9.4245 9.8620 9.8620 k =-0.5000 0.2000 0.4445 ( 5024 PWs) bands (ev): -13.9710 -13.9710 -13.9428 -13.9428 -13.9022 -13.9022 -13.9002 -13.9002 -12.9649 -12.9649 -12.9442 -12.9442 -12.8910 -12.8910 -12.8655 -12.8655 -12.8352 -12.8352 -12.8290 -12.8290 -0.4576 -0.4576 1.6144 1.6144 3.9487 3.9487 5.5130 5.5130 6.3245 6.3245 6.9529 6.9529 7.0752 7.0752 8.2082 8.2082 8.5399 8.5399 9.3930 9.3930 9.7657 9.7657 k =-0.5000 0.2000 0.4243 ( 5034 PWs) bands (ev): -13.9720 -13.9720 -13.9421 -13.9421 -13.9026 -13.9026 -13.9006 -13.9006 -12.9659 -12.9659 -12.9445 -12.9445 -12.8913 -12.8913 -12.8643 -12.8643 -12.8354 -12.8354 -12.8289 -12.8289 -0.5213 -0.5213 1.6334 1.6334 4.0027 4.0027 5.5741 5.5741 6.3374 6.3374 7.0180 7.0180 7.0737 7.0737 8.2656 8.2656 8.5233 8.5233 9.3610 9.3610 9.6672 9.6672 k =-0.5000 0.2000 0.4041 ( 5026 PWs) bands (ev): -13.9730 -13.9730 -13.9413 -13.9413 -13.9030 -13.9030 -13.9011 -13.9011 -12.9669 -12.9669 -12.9448 -12.9448 -12.8916 -12.8916 -12.8631 -12.8631 -12.8355 -12.8355 -12.8287 -12.8287 -0.5823 -0.5823 1.6446 1.6446 4.0695 4.0695 5.6290 5.6290 6.3506 6.3506 7.0412 7.0412 7.1209 7.1209 8.3213 8.3213 8.5126 8.5126 9.3298 9.3298 9.5691 9.5691 k =-0.5000 0.2000 0.3839 ( 5026 PWs) bands (ev): -13.9740 -13.9740 -13.9406 -13.9406 -13.9034 -13.9034 -13.9016 -13.9016 -12.9678 -12.9678 -12.9451 -12.9451 -12.8919 -12.8919 -12.8619 -12.8619 -12.8357 -12.8357 -12.8285 -12.8285 -0.6407 -0.6407 1.6486 1.6486 4.1483 4.1483 5.6774 5.6774 6.3638 6.3638 7.0402 7.0402 7.1991 7.1991 8.3732 8.3732 8.5087 8.5087 9.3008 9.3008 9.4739 9.4739 k =-0.5000 0.2000 0.3637 ( 5018 PWs) bands (ev): -13.9750 -13.9750 -13.9399 -13.9399 -13.9038 -13.9038 -13.9021 -13.9021 -12.9686 -12.9686 -12.9455 -12.9455 -12.8922 -12.8922 -12.8608 -12.8608 -12.8359 -12.8359 -12.8283 -12.8283 -0.6963 -0.6963 1.6465 1.6465 4.2381 4.2381 5.7192 5.7192 6.3768 6.3768 7.0381 7.0381 7.2843 7.2843 8.4178 8.4178 8.5129 8.5129 9.2755 9.2755 9.3842 9.3842 k =-0.5000 0.2000 0.3435 ( 5024 PWs) bands (ev): -13.9759 -13.9759 -13.9393 -13.9393 -13.9043 -13.9043 -13.9026 -13.9026 -12.9695 -12.9695 -12.9460 -12.9460 -12.8924 -12.8924 -12.8597 -12.8597 -12.8361 -12.8361 -12.8281 -12.8281 -0.7492 -0.7492 1.6392 1.6392 4.3378 4.3378 5.7544 5.7544 6.3894 6.3894 7.0370 7.0370 7.3740 7.3740 8.4515 8.4515 8.5258 8.5258 9.2554 9.2554 9.3041 9.3041 k =-0.5000 0.2000 0.3233 ( 5016 PWs) bands (ev): -13.9768 -13.9768 -13.9386 -13.9386 -13.9047 -13.9047 -13.9031 -13.9031 -12.9702 -12.9702 -12.9464 -12.9464 -12.8927 -12.8927 -12.8586 -12.8586 -12.8363 -12.8363 -12.8278 -12.8278 -0.7992 -0.7992 1.6278 1.6278 4.4464 4.4464 5.7833 5.7833 6.4016 6.4016 7.0364 7.0364 7.4676 7.4676 8.4748 8.4748 8.5412 8.5412 9.2323 9.2323 9.2478 9.2478 k =-0.5000 0.2000 0.3031 ( 5024 PWs) bands (ev): -13.9776 -13.9776 -13.9380 -13.9380 -13.9051 -13.9051 -13.9037 -13.9037 -12.9709 -12.9709 -12.9469 -12.9469 -12.8929 -12.8929 -12.8575 -12.8575 -12.8365 -12.8365 -12.8275 -12.8275 -0.8464 -0.8464 1.6132 1.6132 4.5628 4.5628 5.8063 5.8063 6.4131 6.4131 7.0359 7.0359 7.5649 7.5649 8.4921 8.4921 8.5482 8.5482 9.1899 9.1899 9.2394 9.2394 k =-0.5000 0.2000 0.2829 ( 5034 PWs) bands (ev): -13.9784 -13.9784 -13.9374 -13.9374 -13.9055 -13.9055 -13.9041 -13.9041 -12.9716 -12.9716 -12.9475 -12.9475 -12.8931 -12.8931 -12.8565 -12.8565 -12.8368 -12.8368 -12.8272 -12.8272 -0.8907 -0.8907 1.5964 1.5964 4.6861 4.6861 5.8242 5.8242 6.4239 6.4239 7.0348 7.0348 7.6655 7.6655 8.4967 8.4967 8.5474 8.5474 9.1706 9.1706 9.2424 9.2424 k =-0.5000 0.2000 0.2627 ( 5036 PWs) bands (ev): -13.9792 -13.9792 -13.9368 -13.9368 -13.9060 -13.9060 -13.9046 -13.9046 -12.9722 -12.9722 -12.9480 -12.9480 -12.8934 -12.8934 -12.8555 -12.8555 -12.8371 -12.8371 -12.8269 -12.8269 -0.9321 -0.9321 1.5780 1.5780 4.8152 4.8152 5.8376 5.8376 6.4338 6.4338 7.0326 7.0326 7.7690 7.7690 8.4651 8.4651 8.5612 8.5612 9.1774 9.1774 9.2543 9.2543 k =-0.5000 0.2000 0.2425 ( 5028 PWs) bands (ev): -13.9799 -13.9799 -13.9363 -13.9363 -13.9065 -13.9065 -13.9050 -13.9050 -12.9728 -12.9728 -12.9485 -12.9485 -12.8935 -12.8935 -12.8545 -12.8545 -12.8374 -12.8374 -12.8265 -12.8265 -0.9705 -0.9705 1.5588 1.5588 4.9493 4.9493 5.8473 5.8473 6.4428 6.4428 7.0291 7.0291 7.8743 7.8743 8.4041 8.4041 8.5877 8.5877 9.2049 9.2049 9.2750 9.2750 k =-0.5000 0.2000 0.2223 ( 5026 PWs) bands (ev): -13.9806 -13.9806 -13.9358 -13.9358 -13.9070 -13.9070 -13.9053 -13.9053 -12.9733 -12.9733 -12.9490 -12.9490 -12.8937 -12.8937 -12.8536 -12.8536 -12.8378 -12.8378 -12.8262 -12.8262 -1.0059 -1.0059 1.5394 1.5394 5.0874 5.0874 5.8543 5.8543 6.4510 6.4510 7.0241 7.0241 7.9784 7.9784 8.3290 8.3290 8.6200 8.6200 9.2455 9.2455 9.3045 9.3045 k =-0.5000 0.2000 0.2021 ( 5026 PWs) bands (ev): -13.9812 -13.9812 -13.9353 -13.9353 -13.9075 -13.9075 -13.9057 -13.9057 -12.9737 -12.9737 -12.9495 -12.9495 -12.8939 -12.8939 -12.8527 -12.8527 -12.8382 -12.8382 -12.8258 -12.8258 -1.0384 -1.0384 1.5203 1.5203 5.2285 5.2285 5.8594 5.8594 6.4581 6.4581 7.0177 7.0177 8.0652 8.0652 8.2617 8.2617 8.6564 8.6564 9.2921 9.2921 9.3425 9.3425 k =-0.5000 0.2000 0.1818 ( 5034 PWs) bands (ev): -13.9817 -13.9817 -13.9348 -13.9348 -13.9080 -13.9080 -13.9059 -13.9059 -12.9741 -12.9741 -12.9500 -12.9500 -12.8941 -12.8941 -12.8519 -12.8519 -12.8385 -12.8385 -12.8255 -12.8255 -1.0678 -1.0678 1.5020 1.5020 5.3712 5.3712 5.8640 5.8640 6.4644 6.4644 7.0101 7.0101 8.0614 8.0614 8.2787 8.2787 8.6959 8.6959 9.3398 9.3398 9.3878 9.3878 k =-0.5000 0.2000 0.1616 ( 5050 PWs) bands (ev): -13.9823 -13.9823 -13.9344 -13.9344 -13.9084 -13.9084 -13.9062 -13.9062 -12.9745 -12.9745 -12.9505 -12.9505 -12.8943 -12.8943 -12.8511 -12.8511 -12.8390 -12.8390 -12.8252 -12.8252 -1.0942 -1.0942 1.4847 1.4847 5.5131 5.5131 5.8702 5.8702 6.4697 6.4697 7.0018 7.0018 7.9721 7.9721 8.3766 8.3766 8.7374 8.7374 9.3869 9.3869 9.4365 9.4365 k =-0.5000 0.2000 0.1414 ( 5050 PWs) bands (ev): -13.9827 -13.9827 -13.9340 -13.9340 -13.9089 -13.9089 -13.9064 -13.9064 -12.9748 -12.9748 -12.9509 -12.9509 -12.8944 -12.8944 -12.8503 -12.8503 -12.8394 -12.8394 -12.8248 -12.8248 -1.1175 -1.1175 1.4688 1.4688 5.6476 5.6476 5.8842 5.8842 6.4742 6.4742 6.9931 6.9931 7.8609 7.8609 8.4929 8.4929 8.7799 8.7799 9.4333 9.4333 9.4835 9.4835 k =-0.5000 0.2000 0.1212 ( 5054 PWs) bands (ev): -13.9831 -13.9831 -13.9337 -13.9337 -13.9093 -13.9093 -13.9066 -13.9066 -12.9751 -12.9751 -12.9513 -12.9513 -12.8945 -12.8945 -12.8496 -12.8496 -12.8398 -12.8398 -12.8246 -12.8246 -1.1378 -1.1378 1.4546 1.4546 5.7531 5.7531 5.9272 5.9272 6.4780 6.4780 6.9845 6.9845 7.7409 7.7409 8.6148 8.6148 8.8222 8.8222 9.4781 9.4781 9.5239 9.5239 k =-0.5000 0.2000 0.1010 ( 5044 PWs) bands (ev): -13.9834 -13.9834 -13.9333 -13.9333 -13.9097 -13.9097 -13.9068 -13.9068 -12.9753 -12.9753 -12.9516 -12.9516 -12.8946 -12.8946 -12.8489 -12.8489 -12.8402 -12.8402 -12.8243 -12.8243 -1.1549 -1.1549 1.4422 1.4422 5.8009 5.8009 6.0266 6.0266 6.4811 6.4811 6.9765 6.9765 7.6161 7.6161 8.7384 8.7384 8.8630 8.8630 9.5199 9.5199 9.5546 9.5546 k =-0.5000 0.2000 0.0808 ( 5048 PWs) bands (ev): -13.9837 -13.9837 -13.9331 -13.9331 -13.9100 -13.9100 -13.9069 -13.9069 -12.9755 -12.9755 -12.9519 -12.9519 -12.8947 -12.8947 -12.8483 -12.8483 -12.8406 -12.8406 -12.8241 -12.8241 -1.1689 -1.1689 1.4319 1.4319 5.8156 5.8156 6.1563 6.1563 6.4837 6.4837 6.9694 6.9694 7.4892 7.4892 8.8588 8.8588 8.9031 8.9031 9.5548 9.5548 9.5766 9.5766 k =-0.5000 0.2000 0.0606 ( 5046 PWs) bands (ev): -13.9839 -13.9839 -13.9329 -13.9329 -13.9102 -13.9102 -13.9070 -13.9070 -12.9756 -12.9756 -12.9521 -12.9521 -12.8948 -12.8948 -12.8478 -12.8478 -12.8410 -12.8410 -12.8239 -12.8239 -1.1799 -1.1799 1.4237 1.4237 5.8205 5.8205 6.2894 6.2894 6.4861 6.4861 6.9636 6.9636 7.3636 7.3636 8.9253 8.9253 8.9875 8.9875 9.5733 9.5733 9.5995 9.5995 k =-0.5000 0.2000 0.0404 ( 5054 PWs) bands (ev): -13.9841 -13.9841 -13.9327 -13.9327 -13.9104 -13.9104 -13.9070 -13.9070 -12.9757 -12.9757 -12.9522 -12.9522 -12.8949 -12.8949 -12.8474 -12.8474 -12.8413 -12.8413 -12.8238 -12.8238 -1.1877 -1.1877 1.4178 1.4178 5.8224 5.8224 6.4109 6.4109 6.4901 6.4901 6.9596 6.9596 7.2463 7.2463 8.9512 8.9512 9.0943 9.0943 9.5791 9.5791 9.6223 9.6223 k =-0.5000 0.2000 0.0202 ( 5050 PWs) bands (ev): -13.9842 -13.9842 -13.9326 -13.9326 -13.9105 -13.9105 -13.9071 -13.9071 -12.9758 -12.9758 -12.9523 -12.9523 -12.8949 -12.8949 -12.8472 -12.8472 -12.8415 -12.8415 -12.8237 -12.8237 -1.1924 -1.1924 1.4142 1.4142 5.8231 5.8231 6.4766 6.4766 6.5227 6.5227 6.9578 6.9578 7.1528 7.1528 8.9667 8.9667 9.1769 9.1769 9.5820 9.5820 9.6376 9.6376 k =-0.5000 0.2000-0.0000 ( 5060 PWs) bands (ev): -13.9842 -13.9842 -13.9326 -13.9326 -13.9106 -13.9106 -13.9071 -13.9071 -12.9758 -12.9758 -12.9524 -12.9524 -12.8949 -12.8949 -12.8471 -12.8471 -12.8415 -12.8415 -12.8237 -12.8237 -1.1940 -1.1940 1.4130 1.4130 5.8232 5.8232 6.4815 6.4815 6.5579 6.5579 6.9576 6.9576 7.1138 7.1138 8.9719 8.9719 9.2096 9.2096 9.5837 9.5837 9.6429 9.6429 k = 0.0000 0.0000 0.7274 ( 5018 PWs) bands (ev): -13.9565 -13.9565 -13.9565 -13.9565 -13.8969 -13.8969 -13.8969 -13.8969 -12.9509 -12.9509 -12.9509 -12.9509 -12.8816 -12.8816 -12.8816 -12.8816 -12.8312 -12.8312 -12.8312 -12.8312 0.4341 0.4341 0.4341 0.4341 5.0988 5.0988 5.0988 5.0988 5.8641 5.8641 5.8641 5.8641 7.0040 7.0040 7.0040 7.0040 10.4369 10.4369 10.4369 10.4369 10.8421 10.8421 k =-0.0185 0.0074 0.7274 ( 5026 PWs) bands (ev): -13.9565 -13.9565 -13.9565 -13.9565 -13.8969 -13.8969 -13.8969 -13.8969 -12.9509 -12.9509 -12.9509 -12.9509 -12.8816 -12.8816 -12.8816 -12.8816 -12.8312 -12.8312 -12.8312 -12.8312 0.4348 0.4348 0.4348 0.4348 5.0965 5.0965 5.0965 5.0965 5.8653 5.8653 5.8653 5.8653 7.0040 7.0040 7.0040 7.0040 10.4421 10.4421 10.4421 10.4421 10.8343 10.8343 k =-0.0370 0.0148 0.7274 ( 5026 PWs) bands (ev): -13.9565 -13.9565 -13.9565 -13.9565 -13.8969 -13.8969 -13.8969 -13.8969 -12.9509 -12.9509 -12.9509 -12.9509 -12.8816 -12.8816 -12.8816 -12.8816 -12.8312 -12.8312 -12.8312 -12.8312 0.4368 0.4368 0.4368 0.4368 5.0897 5.0897 5.0897 5.0897 5.8689 5.8689 5.8689 5.8689 7.0043 7.0043 7.0043 7.0043 10.4576 10.4576 10.4576 10.4576 10.8111 10.8111 k =-0.0556 0.0222 0.7274 ( 5038 PWs) bands (ev): -13.9565 -13.9565 -13.9565 -13.9565 -13.8970 -13.8970 -13.8970 -13.8970 -12.9509 -12.9509 -12.9509 -12.9509 -12.8816 -12.8816 -12.8816 -12.8816 -12.8312 -12.8312 -12.8312 -12.8312 0.4401 0.4401 0.4401 0.4401 5.0784 5.0784 5.0784 5.0784 5.8749 5.8749 5.8749 5.8749 7.0049 7.0049 7.0049 7.0049 10.4828 10.4828 10.4828 10.4828 10.7739 10.7739 k =-0.0741 0.0296 0.7274 ( 5042 PWs) bands (ev): -13.9564 -13.9564 -13.9564 -13.9564 -13.8970 -13.8970 -13.8970 -13.8970 -12.9509 -12.9509 -12.9509 -12.9509 -12.8817 -12.8817 -12.8817 -12.8817 -12.8312 -12.8312 -12.8312 -12.8312 0.4447 0.4447 0.4447 0.4447 5.0627 5.0627 5.0627 5.0627 5.8832 5.8832 5.8832 5.8832 7.0063 7.0063 7.0063 7.0063 10.5163 10.5163 10.5163 10.5163 10.7246 10.7246 k =-0.0926 0.0370 0.7274 ( 5042 PWs) bands (ev): -13.9564 -13.9564 -13.9564 -13.9564 -13.8970 -13.8970 -13.8970 -13.8970 -12.9508 -12.9508 -12.9508 -12.9508 -12.8817 -12.8817 -12.8817 -12.8817 -12.8312 -12.8312 -12.8312 -12.8312 0.4506 0.4506 0.4506 0.4506 5.0427 5.0427 5.0427 5.0427 5.8938 5.8938 5.8938 5.8938 7.0089 7.0089 7.0089 7.0089 10.5540 10.5540 10.5540 10.5540 10.6681 10.6681 k =-0.1111 0.0444 0.7274 ( 5046 PWs) bands (ev): -13.9564 -13.9564 -13.9564 -13.9564 -13.8971 -13.8971 -13.8971 -13.8971 -12.9508 -12.9508 -12.9508 -12.9508 -12.8817 -12.8817 -12.8817 -12.8817 -12.8313 -12.8313 -12.8313 -12.8313 0.4576 0.4576 0.4576 0.4576 5.0185 5.0185 5.0185 5.0185 5.9067 5.9067 5.9067 5.9067 7.0133 7.0133 7.0133 7.0133 10.5635 10.5635 10.5635 10.5635 10.6375 10.6375 k =-0.1296 0.0518 0.7274 ( 5038 PWs) bands (ev): -13.9563 -13.9563 -13.9563 -13.9563 -13.8971 -13.8971 -13.8971 -13.8971 -12.9507 -12.9507 -12.9507 -12.9507 -12.8817 -12.8817 -12.8817 -12.8817 -12.8313 -12.8313 -12.8313 -12.8313 0.4657 0.4657 0.4657 0.4657 4.9904 4.9904 4.9904 4.9904 5.9218 5.9218 5.9218 5.9218 7.0197 7.0197 7.0197 7.0197 10.5006 10.5006 10.5006 10.5006 10.6772 10.6772 k =-0.1481 0.0592 0.7274 ( 5034 PWs) bands (ev): -13.9563 -13.9563 -13.9563 -13.9563 -13.8972 -13.8972 -13.8972 -13.8972 -12.9507 -12.9507 -12.9507 -12.9507 -12.8817 -12.8817 -12.8817 -12.8817 -12.8313 -12.8313 -12.8313 -12.8313 0.4749 0.4749 0.4749 0.4749 4.9587 4.9587 4.9587 4.9587 5.9389 5.9389 5.9389 5.9389 7.0288 7.0288 7.0288 7.0288 10.4199 10.4199 10.4199 10.4199 10.7322 10.7322 k =-0.1667 0.0667 0.7274 ( 5034 PWs) bands (ev): -13.9563 -13.9563 -13.9563 -13.9563 -13.8972 -13.8972 -13.8972 -13.8972 -12.9506 -12.9506 -12.9506 -12.9506 -12.8817 -12.8817 -12.8817 -12.8817 -12.8313 -12.8313 -12.8313 -12.8313 0.4850 0.4850 0.4850 0.4850 4.9238 4.9238 4.9238 4.9238 5.9580 5.9580 5.9580 5.9580 7.0407 7.0407 7.0407 7.0407 10.3333 10.3333 10.3333 10.3333 10.7895 10.7895 k =-0.1852 0.0741 0.7274 ( 5034 PWs) bands (ev): -13.9562 -13.9562 -13.9562 -13.9562 -13.8973 -13.8973 -13.8973 -13.8973 -12.9506 -12.9506 -12.9506 -12.9506 -12.8817 -12.8817 -12.8817 -12.8817 -12.8314 -12.8314 -12.8314 -12.8314 0.4959 0.4959 0.4959 0.4959 4.8861 4.8861 4.8861 4.8861 5.9789 5.9789 5.9789 5.9789 7.0559 7.0559 7.0559 7.0559 10.2437 10.2437 10.2437 10.2437 10.8440 10.8440 k =-0.2037 0.0815 0.7274 ( 5026 PWs) bands (ev): -13.9562 -13.9562 -13.9562 -13.9562 -13.8973 -13.8973 -13.8973 -13.8973 -12.9505 -12.9505 -12.9505 -12.9505 -12.8817 -12.8817 -12.8817 -12.8817 -12.8314 -12.8314 -12.8314 -12.8314 0.5075 0.5075 0.5075 0.5075 4.8462 4.8462 4.8462 4.8462 6.0013 6.0013 6.0013 6.0013 7.0743 7.0743 7.0743 7.0743 10.1527 10.1527 10.1527 10.1527 10.8885 10.8885 k =-0.2222 0.0889 0.7274 ( 5028 PWs) bands (ev): -13.9561 -13.9561 -13.9561 -13.9561 -13.8974 -13.8974 -13.8974 -13.8974 -12.9505 -12.9505 -12.9505 -12.9505 -12.8818 -12.8818 -12.8818 -12.8818 -12.8314 -12.8314 -12.8314 -12.8314 0.5197 0.5197 0.5197 0.5197 4.8045 4.8045 4.8045 4.8045 6.0252 6.0252 6.0252 6.0252 7.0959 7.0959 7.0959 7.0959 10.0613 10.0613 10.0613 10.0613 10.9048 10.9048 k =-0.2407 0.0963 0.7274 ( 5020 PWs) bands (ev): -13.9561 -13.9561 -13.9561 -13.9561 -13.8974 -13.8974 -13.8974 -13.8974 -12.9504 -12.9504 -12.9504 -12.9504 -12.8818 -12.8818 -12.8818 -12.8818 -12.8315 -12.8315 -12.8315 -12.8315 0.5323 0.5323 0.5323 0.5323 4.7617 4.7617 4.7618 4.7618 6.0502 6.0502 6.0502 6.0502 7.1208 7.1208 7.1208 7.1208 9.9708 9.9708 9.9708 9.9708 10.8636 10.8636 k =-0.2593 0.1037 0.7274 ( 5016 PWs) bands (ev): -13.9560 -13.9560 -13.9560 -13.9560 -13.8975 -13.8975 -13.8975 -13.8975 -12.9503 -12.9503 -12.9503 -12.9503 -12.8818 -12.8818 -12.8818 -12.8818 -12.8315 -12.8315 -12.8315 -12.8315 0.5452 0.5452 0.5452 0.5452 4.7185 4.7185 4.7185 4.7185 6.0762 6.0762 6.0762 6.0762 7.1486 7.1486 7.1486 7.1486 9.8819 9.8819 9.8819 9.8819 10.7774 10.7774 k =-0.2778 0.1111 0.7274 ( 5020 PWs) bands (ev): -13.9560 -13.9560 -13.9560 -13.9560 -13.8975 -13.8975 -13.8975 -13.8975 -12.9503 -12.9503 -12.9503 -12.9503 -12.8818 -12.8818 -12.8818 -12.8818 -12.8315 -12.8315 -12.8315 -12.8315 0.5582 0.5582 0.5582 0.5582 4.6754 4.6754 4.6754 4.6754 6.1027 6.1027 6.1027 6.1027 7.1789 7.1789 7.1789 7.1789 9.7955 9.7955 9.7955 9.7955 10.6760 10.6760 k =-0.2963 0.1185 0.7274 ( 5020 PWs) bands (ev): -13.9559 -13.9559 -13.9559 -13.9559 -13.8976 -13.8976 -13.8976 -13.8976 -12.9502 -12.9502 -12.9502 -12.9502 -12.8818 -12.8818 -12.8818 -12.8818 -12.8316 -12.8316 -12.8316 -12.8316 0.5711 0.5711 0.5711 0.5711 4.6331 4.6331 4.6331 4.6331 6.1294 6.1294 6.1294 6.1294 7.2115 7.2115 7.2115 7.2115 9.7125 9.7125 9.7125 9.7125 10.5716 10.5716 k =-0.3148 0.1259 0.7274 ( 5024 PWs) bands (ev): -13.9559 -13.9559 -13.9559 -13.9559 -13.8976 -13.8976 -13.8976 -13.8976 -12.9502 -12.9502 -12.9502 -12.9502 -12.8819 -12.8819 -12.8819 -12.8819 -12.8316 -12.8316 -12.8316 -12.8316 0.5837 0.5837 0.5837 0.5837 4.5921 4.5921 4.5921 4.5921 6.1560 6.1560 6.1560 6.1560 7.2456 7.2456 7.2456 7.2456 9.6335 9.6335 9.6335 9.6335 10.4687 10.4687 k =-0.3333 0.1333 0.7274 ( 5024 PWs) bands (ev): -13.9559 -13.9559 -13.9559 -13.9559 -13.8977 -13.8977 -13.8977 -13.8977 -12.9501 -12.9501 -12.9501 -12.9501 -12.8819 -12.8819 -12.8819 -12.8819 -12.8317 -12.8317 -12.8317 -12.8317 0.5959 0.5959 0.5959 0.5959 4.5531 4.5531 4.5531 4.5531 6.1821 6.1821 6.1821 6.1821 7.2806 7.2806 7.2806 7.2806 9.5592 9.5592 9.5592 9.5592 10.3697 10.3697 k =-0.3519 0.1407 0.7274 ( 5014 PWs) bands (ev): -13.9558 -13.9558 -13.9558 -13.9558 -13.8977 -13.8977 -13.8977 -13.8977 -12.9500 -12.9500 -12.9500 -12.9500 -12.8819 -12.8819 -12.8819 -12.8819 -12.8317 -12.8317 -12.8317 -12.8317 0.6075 0.6075 0.6075 0.6075 4.5166 4.5166 4.5166 4.5166 6.2072 6.2072 6.2072 6.2072 7.3159 7.3159 7.3159 7.3159 9.4905 9.4905 9.4905 9.4905 10.2762 10.2762 k =-0.3704 0.1481 0.7274 ( 5044 PWs) bands (ev): -13.9558 -13.9558 -13.9558 -13.9558 -13.8978 -13.8978 -13.8978 -13.8978 -12.9500 -12.9500 -12.9500 -12.9500 -12.8819 -12.8819 -12.8819 -12.8819 -12.8317 -12.8317 -12.8317 -12.8317 0.6182 0.6182 0.6182 0.6182 4.4832 4.4832 4.4832 4.4832 6.2309 6.2309 6.2309 6.2309 7.3505 7.3505 7.3505 7.3505 9.4278 9.4278 9.4278 9.4278 10.1896 10.1896 k =-0.3889 0.1555 0.7274 ( 5048 PWs) bands (ev): -13.9558 -13.9558 -13.9558 -13.9558 -13.8979 -13.8979 -13.8979 -13.8979 -12.9500 -12.9500 -12.9500 -12.9500 -12.8820 -12.8820 -12.8820 -12.8820 -12.8318 -12.8318 -12.8318 -12.8318 0.6279 0.6279 0.6279 0.6279 4.4531 4.4531 4.4531 4.4531 6.2527 6.2527 6.2527 6.2527 7.3835 7.3835 7.3835 7.3835 9.3719 9.3719 9.3719 9.3719 10.1111 10.1111 k =-0.4074 0.1629 0.7274 ( 5046 PWs) bands (ev): -13.9558 -13.9558 -13.9558 -13.9558 -13.8979 -13.8979 -13.8979 -13.8979 -12.9499 -12.9499 -12.9499 -12.9499 -12.8820 -12.8820 -12.8820 -12.8820 -12.8318 -12.8318 -12.8318 -12.8318 0.6364 0.6364 0.6364 0.6364 4.4270 4.4270 4.4270 4.4270 6.2722 6.2722 6.2722 6.2722 7.4139 7.4139 7.4139 7.4139 9.3234 9.3234 9.3234 9.3234 10.0419 10.0419 k =-0.4259 0.1703 0.7274 ( 5050 PWs) bands (ev): -13.9557 -13.9557 -13.9557 -13.9557 -13.8979 -13.8979 -13.8979 -13.8979 -12.9499 -12.9499 -12.9499 -12.9499 -12.8820 -12.8820 -12.8820 -12.8820 -12.8318 -12.8318 -12.8318 -12.8318 0.6436 0.6436 0.6437 0.6437 4.4051 4.4051 4.4051 4.4051 6.2888 6.2888 6.2888 6.2888 7.4406 7.4406 7.4406 7.4406 9.2829 9.2829 9.2829 9.2829 9.9833 9.9833 k =-0.4444 0.1777 0.7274 ( 5042 PWs) bands (ev): -13.9557 -13.9557 -13.9557 -13.9557 -13.8979 -13.8979 -13.8979 -13.8979 -12.9499 -12.9499 -12.9499 -12.9499 -12.8820 -12.8820 -12.8820 -12.8820 -12.8318 -12.8318 -12.8318 -12.8318 0.6494 0.6494 0.6494 0.6494 4.3878 4.3878 4.3878 4.3878 6.3022 6.3022 6.3022 6.3022 7.4628 7.4628 7.4628 7.4628 9.2508 9.2508 9.2508 9.2508 9.9363 9.9363 k =-0.4630 0.1851 0.7274 ( 5042 PWs) bands (ev): -13.9557 -13.9557 -13.9557 -13.9557 -13.8979 -13.8979 -13.8979 -13.8979 -12.9499 -12.9499 -12.9499 -12.9499 -12.8820 -12.8820 -12.8820 -12.8820 -12.8318 -12.8318 -12.8318 -12.8318 0.6536 0.6536 0.6536 0.6536 4.3752 4.3752 4.3752 4.3752 6.3120 6.3120 6.3120 6.3120 7.4793 7.4793 7.4793 7.4793 9.2275 9.2275 9.2275 9.2275 9.9019 9.9019 k =-0.4815 0.1925 0.7274 ( 5038 PWs) bands (ev): -13.9557 -13.9557 -13.9557 -13.9557 -13.8980 -13.8980 -13.8980 -13.8980 -12.9498 -12.9498 -12.9498 -12.9498 -12.8820 -12.8820 -12.8820 -12.8820 -12.8318 -12.8318 -12.8318 -12.8318 0.6561 0.6561 0.6562 0.6562 4.3676 4.3676 4.3676 4.3676 6.3180 6.3180 6.3180 6.3180 7.4896 7.4896 7.4896 7.4896 9.2134 9.2134 9.2134 9.2134 9.8810 9.8810 k =-0.5000 0.2000 0.7274 ( 5040 PWs) bands (ev): -13.9557 -13.9557 -13.9557 -13.9557 -13.8980 -13.8980 -13.8980 -13.8980 -12.9498 -12.9498 -12.9498 -12.9498 -12.8820 -12.8820 -12.8820 -12.8820 -12.8318 -12.8318 -12.8318 -12.8318 0.6570 0.6570 0.6570 0.6570 4.3651 4.3651 4.3651 4.3651 6.3201 6.3201 6.3201 6.3201 7.4930 7.4930 7.4930 7.4930 9.2087 9.2087 9.2087 9.2087 9.8739 9.8739 Writing output data file LaSn.save init_run : 3.13s CPU 15.76s WALL ( 1 calls) electrons : 947.24s CPU 956.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.47s CPU 1.43s WALL ( 1 calls) Called by electrons: c_bands : 947.22s CPU 956.42s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.81s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.58s WALL ( 1 calls) newd : 0.31s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 374 calls) cegterg : 868.41s CPU 874.42s WALL ( 1316 calls) Called by sum_band: Called by *egterg: h_psi : 438.30s CPU 450.96s WALL ( 24490 calls) s_psi : 30.62s CPU 31.25s WALL ( 24490 calls) g_psi : 1.13s CPU 1.17s WALL ( 22800 calls) cdiaghg : 286.24s CPU 281.19s WALL ( 23174 calls) cegterg:over : 69.03s CPU 64.40s WALL ( 22800 calls) cegterg:upda : 14.32s CPU 20.43s WALL ( 22800 calls) cegterg:last : 13.02s CPU 14.37s WALL ( 3345 calls) Called by h_psi: h_psi:vloc : 355.69s CPU 366.53s WALL ( 24490 calls) h_psi:vnl : 82.13s CPU 83.26s WALL ( 24490 calls) add_vuspsi : 28.61s CPU 34.22s WALL ( 24490 calls) General routines calbec : 53.44s CPU 48.86s WALL ( 24490 calls) fft : 0.29s CPU 1.38s WALL ( 19 calls) ffts : 0.06s CPU 0.06s WALL ( 4 calls) fftw : 341.93s CPU 344.78s WALL ( 1638432 calls) interpolate : 0.19s CPU 0.19s WALL ( 4 calls) davcio : 0.03s CPU 1.70s WALL ( 748 calls) Parallel routines fft_scatter : 194.58s CPU 190.93s WALL ( 1638455 calls) PWSCF : 16m45.48s CPU 18m30.81s WALL This run was terminated on: 7:21: 0 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=