Program PWSCF v.5.1.1 starts on 28Jun2015 at 6: 1:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./SeBr.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 25 21 6 2271 1683 254 Max 26 22 8 2286 1708 266 Sum 1247 1023 291 109451 81241 12575 bravais-lattice index = 14 lattice parameter (alat) = 8.1097 a.u. unit-cell volume = 1699.6521 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.109711 celldm(2)= 1.000000 celldm(3)= 3.278360 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.234787 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.234787 0.972047 0.000000 ) a(3) = ( 0.000000 0.000000 3.278360 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.241539 -0.000000 ) b(2) = ( 0.000000 1.028757 -0.000000 ) b(3) = ( 0.000000 0.000000 0.305031 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Br 7.00 79.90400 Br( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 334 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0084360 0.0107162 -0.0000000), wk = 0.0029940 k( 3) = ( 0.0168720 0.0214324 -0.0000000), wk = 0.0029940 k( 4) = ( 0.0253080 0.0321487 -0.0000000), wk = 0.0029940 k( 5) = ( 0.0337440 0.0428649 -0.0000000), wk = 0.0029940 k( 6) = ( 0.0421800 0.0535811 -0.0000000), wk = 0.0029940 k( 7) = ( 0.0506160 0.0642973 -0.0000000), wk = 0.0029940 k( 8) = ( 0.0590520 0.0750135 -0.0000000), wk = 0.0029940 k( 9) = ( 0.0674880 0.0857298 -0.0000000), wk = 0.0029940 k( 10) = ( 0.0759240 0.0964460 -0.0000000), wk = 0.0029940 k( 11) = ( 0.0843600 0.1071622 -0.0000000), wk = 0.0029940 k( 12) = ( 0.0927960 0.1178784 -0.0000000), wk = 0.0029940 k( 13) = ( 0.1012320 0.1285946 -0.0000000), wk = 0.0029940 k( 14) = ( 0.1096680 0.1393108 -0.0000000), wk = 0.0029940 k( 15) = ( 0.1181040 0.1500271 -0.0000000), wk = 0.0029940 k( 16) = ( 0.1265400 0.1607433 -0.0000000), wk = 0.0029940 k( 17) = ( 0.1349760 0.1714595 -0.0000000), wk = 0.0029940 k( 18) = ( 0.1434121 0.1821757 -0.0000000), wk = 0.0029940 k( 19) = ( 0.1518481 0.1928919 -0.0000000), wk = 0.0029940 k( 20) = ( 0.1602841 0.2036082 -0.0000000), wk = 0.0029940 k( 21) = ( 0.1687201 0.2143244 -0.0000000), wk = 0.0029940 k( 22) = ( 0.1771561 0.2250406 -0.0000000), wk = 0.0029940 k( 23) = ( 0.1855921 0.2357568 -0.0000000), wk = 0.0029940 k( 24) = ( 0.1940281 0.2464730 -0.0000000), wk = 0.0029940 k( 25) = ( 0.2024641 0.2571893 -0.0000000), wk = 0.0029940 k( 26) = ( 0.2109001 0.2679055 -0.0000000), wk = 0.0029940 k( 27) = ( 0.2193361 0.2786217 -0.0000000), wk = 0.0029940 k( 28) = ( 0.2277721 0.2893379 -0.0000000), wk = 0.0029940 k( 29) = ( 0.2362081 0.3000541 -0.0000000), wk = 0.0029940 k( 30) = ( 0.2446441 0.3107703 -0.0000000), wk = 0.0029940 k( 31) = ( 0.2530801 0.3214866 -0.0000000), wk = 0.0029940 k( 32) = ( 0.2615161 0.3322028 -0.0000000), wk = 0.0029940 k( 33) = ( 0.2699521 0.3429190 -0.0000000), wk = 0.0029940 k( 34) = ( 0.2783881 0.3536352 -0.0000000), wk = 0.0029940 k( 35) = ( 0.2868241 0.3643514 -0.0000000), wk = 0.0029940 k( 36) = ( 0.2952601 0.3750677 -0.0000000), wk = 0.0029940 k( 37) = ( 0.3036961 0.3857839 -0.0000000), wk = 0.0029940 k( 38) = ( 0.3121321 0.3965001 -0.0000000), wk = 0.0029940 k( 39) = ( 0.3205681 0.4072163 -0.0000000), wk = 0.0029940 k( 40) = ( 0.3290041 0.4179325 -0.0000000), wk = 0.0029940 k( 41) = ( 0.3374401 0.4286488 -0.0000000), wk = 0.0029940 k( 42) = ( 0.3458761 0.4393650 -0.0000000), wk = 0.0029940 k( 43) = ( 0.3543121 0.4500812 -0.0000000), wk = 0.0029940 k( 44) = ( 0.3627481 0.4607974 -0.0000000), wk = 0.0029940 k( 45) = ( 0.3711841 0.4715136 -0.0000000), wk = 0.0029940 k( 46) = ( 0.3796201 0.4822298 -0.0000000), wk = 0.0029940 k( 47) = ( 0.3880561 0.4929461 -0.0000000), wk = 0.0029940 k( 48) = ( 0.3964921 0.5036623 -0.0000000), wk = 0.0029940 k( 49) = ( 0.4049281 0.5143785 -0.0000000), wk = 0.0029940 k( 50) = ( 0.4049281 0.5143785 -0.0000000), wk = 0.0029940 k( 51) = ( 0.3914305 0.5143785 -0.0000000), wk = 0.0029940 k( 52) = ( 0.3779329 0.5143785 -0.0000000), wk = 0.0029940 k( 53) = ( 0.3644353 0.5143785 -0.0000000), wk = 0.0029940 k( 54) = ( 0.3509377 0.5143785 -0.0000000), wk = 0.0029940 k( 55) = ( 0.3374401 0.5143785 -0.0000000), wk = 0.0029940 k( 56) = ( 0.3239425 0.5143785 -0.0000000), wk = 0.0029940 k( 57) = ( 0.3104449 0.5143785 -0.0000000), wk = 0.0029940 k( 58) = ( 0.2969473 0.5143785 -0.0000000), wk = 0.0029940 k( 59) = ( 0.2834497 0.5143785 -0.0000000), wk = 0.0029940 k( 60) = ( 0.2699521 0.5143785 -0.0000000), wk = 0.0029940 k( 61) = ( 0.2564545 0.5143785 -0.0000000), wk = 0.0029940 k( 62) = ( 0.2429569 0.5143785 -0.0000000), wk = 0.0029940 k( 63) = ( 0.2294593 0.5143785 -0.0000000), wk = 0.0029940 k( 64) = ( 0.2159617 0.5143785 -0.0000000), wk = 0.0029940 k( 65) = ( 0.2024641 0.5143785 -0.0000000), wk = 0.0029940 k( 66) = ( 0.1889665 0.5143785 -0.0000000), wk = 0.0029940 k( 67) = ( 0.1754689 0.5143785 -0.0000000), wk = 0.0029940 k( 68) = ( 0.1619713 0.5143785 -0.0000000), wk = 0.0029940 k( 69) = ( 0.1484737 0.5143785 -0.0000000), wk = 0.0029940 k( 70) = ( 0.1349760 0.5143785 -0.0000000), wk = 0.0029940 k( 71) = ( 0.1214785 0.5143785 -0.0000000), wk = 0.0029940 k( 72) = ( 0.1079808 0.5143785 -0.0000000), wk = 0.0029940 k( 73) = ( 0.0944832 0.5143785 -0.0000000), wk = 0.0029940 k( 74) = ( 0.0809856 0.5143785 -0.0000000), wk = 0.0029940 k( 75) = ( 0.0674880 0.5143785 -0.0000000), wk = 0.0029940 k( 76) = ( 0.0539904 0.5143785 -0.0000000), wk = 0.0029940 k( 77) = ( 0.0404928 0.5143785 -0.0000000), wk = 0.0029940 k( 78) = ( 0.0269952 0.5143785 -0.0000000), wk = 0.0029940 k( 79) = ( 0.0134976 0.5143785 -0.0000000), wk = 0.0029940 k( 80) = ( 0.0000000 0.5143785 -0.0000000), wk = 0.0029940 k( 81) = ( 0.0000000 0.5143785 -0.0000000), wk = 0.0029940 k( 82) = ( 0.0000000 0.5143785 0.0127096), wk = 0.0029940 k( 83) = ( 0.0000000 0.5143785 0.0254192), wk = 0.0029940 k( 84) = ( 0.0000000 0.5143785 0.0381288), wk = 0.0029940 k( 85) = ( 0.0000000 0.5143785 0.0508384), wk = 0.0029940 k( 86) = ( 0.0000000 0.5143785 0.0635480), wk = 0.0029940 k( 87) = ( 0.0000000 0.5143785 0.0762576), wk = 0.0029940 k( 88) = ( 0.0000000 0.5143785 0.0889672), wk = 0.0029940 k( 89) = ( 0.0000000 0.5143785 0.1016768), wk = 0.0029940 k( 90) = ( 0.0000000 0.5143785 0.1143865), wk = 0.0029940 k( 91) = ( 0.0000000 0.5143785 0.1270961), wk = 0.0029940 k( 92) = ( 0.0000000 0.5143785 0.1398057), wk = 0.0029940 k( 93) = ( 0.0000000 0.5143785 0.1525153), wk = 0.0029940 k( 94) = ( 0.0000000 0.5143785 0.1525153), wk = 0.0029940 k( 95) = ( 0.0134976 0.5143785 0.1525153), wk = 0.0029940 k( 96) = ( 0.0269952 0.5143785 0.1525153), wk = 0.0029940 k( 97) = ( 0.0404928 0.5143785 0.1525153), wk = 0.0029940 k( 98) = ( 0.0539904 0.5143785 0.1525153), wk = 0.0029940 k( 99) = ( 0.0674880 0.5143785 0.1525153), wk = 0.0029940 k( 100) = ( 0.0809856 0.5143785 0.1525153), wk = 0.0029940 k( 101) = ( 0.0944832 0.5143785 0.1525153), wk = 0.0029940 k( 102) = ( 0.1079808 0.5143785 0.1525153), wk = 0.0029940 k( 103) = ( 0.1214785 0.5143785 0.1525153), wk = 0.0029940 k( 104) = ( 0.1349760 0.5143785 0.1525153), wk = 0.0029940 k( 105) = ( 0.1484737 0.5143785 0.1525153), wk = 0.0029940 k( 106) = ( 0.1619713 0.5143785 0.1525153), wk = 0.0029940 k( 107) = ( 0.1754689 0.5143785 0.1525153), wk = 0.0029940 k( 108) = ( 0.1889665 0.5143785 0.1525153), wk = 0.0029940 k( 109) = ( 0.2024641 0.5143785 0.1525153), wk = 0.0029940 k( 110) = ( 0.2159617 0.5143785 0.1525153), wk = 0.0029940 k( 111) = ( 0.2294593 0.5143785 0.1525153), wk = 0.0029940 k( 112) = ( 0.2429569 0.5143785 0.1525153), wk = 0.0029940 k( 113) = ( 0.2564545 0.5143785 0.1525153), wk = 0.0029940 k( 114) = ( 0.2699521 0.5143785 0.1525153), wk = 0.0029940 k( 115) = ( 0.2834497 0.5143785 0.1525153), wk = 0.0029940 k( 116) = ( 0.2969473 0.5143785 0.1525153), wk = 0.0029940 k( 117) = ( 0.3104449 0.5143785 0.1525153), wk = 0.0029940 k( 118) = ( 0.3239425 0.5143785 0.1525153), wk = 0.0029940 k( 119) = ( 0.3374401 0.5143785 0.1525153), wk = 0.0029940 k( 120) = ( 0.3509377 0.5143785 0.1525153), wk = 0.0029940 k( 121) = ( 0.3644353 0.5143785 0.1525153), wk = 0.0029940 k( 122) = ( 0.3779329 0.5143785 0.1525153), wk = 0.0029940 k( 123) = ( 0.3914305 0.5143785 0.1525153), wk = 0.0029940 k( 124) = ( 0.4049281 0.5143785 0.1525153), wk = 0.0029940 k( 125) = ( 0.4049281 0.5143785 0.1525153), wk = 0.0029940 k( 126) = ( 0.3964921 0.5036623 0.1525153), wk = 0.0029940 k( 127) = ( 0.3880561 0.4929461 0.1525153), wk = 0.0029940 k( 128) = ( 0.3796201 0.4822298 0.1525153), wk = 0.0029940 k( 129) = ( 0.3711841 0.4715136 0.1525153), wk = 0.0029940 k( 130) = ( 0.3627481 0.4607974 0.1525153), wk = 0.0029940 k( 131) = ( 0.3543121 0.4500812 0.1525153), wk = 0.0029940 k( 132) = ( 0.3458761 0.4393650 0.1525153), wk = 0.0029940 k( 133) = ( 0.3374401 0.4286488 0.1525153), wk = 0.0029940 k( 134) = ( 0.3290041 0.4179325 0.1525153), wk = 0.0029940 k( 135) = ( 0.3205681 0.4072163 0.1525153), wk = 0.0029940 k( 136) = ( 0.3121321 0.3965001 0.1525153), wk = 0.0029940 k( 137) = ( 0.3036961 0.3857839 0.1525153), wk = 0.0029940 k( 138) = ( 0.2952601 0.3750677 0.1525153), wk = 0.0029940 k( 139) = ( 0.2868241 0.3643514 0.1525153), wk = 0.0029940 k( 140) = ( 0.2783881 0.3536352 0.1525153), wk = 0.0029940 k( 141) = ( 0.2699521 0.3429190 0.1525153), wk = 0.0029940 k( 142) = ( 0.2615161 0.3322028 0.1525153), wk = 0.0029940 k( 143) = ( 0.2530801 0.3214866 0.1525153), wk = 0.0029940 k( 144) = ( 0.2446441 0.3107703 0.1525153), wk = 0.0029940 k( 145) = ( 0.2362081 0.3000541 0.1525153), wk = 0.0029940 k( 146) = ( 0.2277721 0.2893379 0.1525153), wk = 0.0029940 k( 147) = ( 0.2193361 0.2786217 0.1525153), wk = 0.0029940 k( 148) = ( 0.2109001 0.2679055 0.1525153), wk = 0.0029940 k( 149) = ( 0.2024641 0.2571893 0.1525153), wk = 0.0029940 k( 150) = ( 0.1940281 0.2464730 0.1525153), wk = 0.0029940 k( 151) = ( 0.1855921 0.2357568 0.1525153), wk = 0.0029940 k( 152) = ( 0.1771561 0.2250406 0.1525153), wk = 0.0029940 k( 153) = ( 0.1687201 0.2143244 0.1525153), wk = 0.0029940 k( 154) = ( 0.1602841 0.2036082 0.1525153), wk = 0.0029940 k( 155) = ( 0.1518481 0.1928919 0.1525153), wk = 0.0029940 k( 156) = ( 0.1434121 0.1821757 0.1525153), wk = 0.0029940 k( 157) = ( 0.1349760 0.1714595 0.1525153), wk = 0.0029940 k( 158) = ( 0.1265400 0.1607433 0.1525153), wk = 0.0029940 k( 159) = ( 0.1181040 0.1500271 0.1525153), wk = 0.0029940 k( 160) = ( 0.1096680 0.1393108 0.1525153), wk = 0.0029940 k( 161) = ( 0.1012320 0.1285946 0.1525153), wk = 0.0029940 k( 162) = ( 0.0927960 0.1178784 0.1525153), wk = 0.0029940 k( 163) = ( 0.0843600 0.1071622 0.1525153), wk = 0.0029940 k( 164) = ( 0.0759240 0.0964460 0.1525153), wk = 0.0029940 k( 165) = ( 0.0674880 0.0857298 0.1525153), wk = 0.0029940 k( 166) = ( 0.0590520 0.0750135 0.1525153), wk = 0.0029940 k( 167) = ( 0.0506160 0.0642973 0.1525153), wk = 0.0029940 k( 168) = ( 0.0421800 0.0535811 0.1525153), wk = 0.0029940 k( 169) = ( 0.0337440 0.0428649 0.1525153), wk = 0.0029940 k( 170) = ( 0.0253080 0.0321487 0.1525153), wk = 0.0029940 k( 171) = ( 0.0168720 0.0214324 0.1525153), wk = 0.0029940 k( 172) = ( 0.0084360 0.0107162 0.1525153), wk = 0.0029940 k( 173) = ( 0.0000000 0.0000000 0.1525153), wk = 0.0029940 k( 174) = ( 0.0000000 0.0000000 0.1525153), wk = 0.0029940 k( 175) = ( 0.0000000 0.0000000 0.1398057), wk = 0.0029940 k( 176) = ( 0.0000000 0.0000000 0.1270961), wk = 0.0029940 k( 177) = ( 0.0000000 0.0000000 0.1143865), wk = 0.0029940 k( 178) = ( 0.0000000 0.0000000 0.1016768), wk = 0.0029940 k( 179) = ( 0.0000000 0.0000000 0.0889672), wk = 0.0029940 k( 180) = ( 0.0000000 0.0000000 0.0762576), wk = 0.0029940 k( 181) = ( 0.0000000 0.0000000 0.0635480), wk = 0.0029940 k( 182) = ( 0.0000000 0.0000000 0.0508384), wk = 0.0029940 k( 183) = ( 0.0000000 0.0000000 0.0381288), wk = 0.0029940 k( 184) = ( 0.0000000 0.0000000 0.0254192), wk = 0.0029940 k( 185) = ( 0.0000000 0.0000000 0.0127096), wk = 0.0029940 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 188) = ( -0.0106383 0.0083747 0.0000000), wk = 0.0029940 k( 189) = ( -0.0212766 0.0167493 0.0000000), wk = 0.0029940 k( 190) = ( -0.0319149 0.0251240 0.0000000), wk = 0.0029940 k( 191) = ( -0.0425532 0.0334986 0.0000000), wk = 0.0029940 k( 192) = ( -0.0531915 0.0418733 0.0000000), wk = 0.0029940 k( 193) = ( -0.0638298 0.0502480 0.0000000), wk = 0.0029940 k( 194) = ( -0.0744681 0.0586226 0.0000000), wk = 0.0029940 k( 195) = ( -0.0851064 0.0669973 0.0000000), wk = 0.0029940 k( 196) = ( -0.0957447 0.0753720 0.0000000), wk = 0.0029940 k( 197) = ( -0.1063830 0.0837466 0.0000000), wk = 0.0029940 k( 198) = ( -0.1170213 0.0921213 0.0000000), wk = 0.0029940 k( 199) = ( -0.1276596 0.1004959 0.0000000), wk = 0.0029940 k( 200) = ( -0.1382979 0.1088706 0.0000000), wk = 0.0029940 k( 201) = ( -0.1489362 0.1172453 0.0000000), wk = 0.0029940 k( 202) = ( -0.1595745 0.1256199 0.0000000), wk = 0.0029940 k( 203) = ( -0.1702128 0.1339946 0.0000000), wk = 0.0029940 k( 204) = ( -0.1808511 0.1423693 0.0000000), wk = 0.0029940 k( 205) = ( -0.1914894 0.1507439 0.0000000), wk = 0.0029940 k( 206) = ( -0.2021277 0.1591186 0.0000000), wk = 0.0029940 k( 207) = ( -0.2127660 0.1674933 0.0000000), wk = 0.0029940 k( 208) = ( -0.2234043 0.1758679 0.0000000), wk = 0.0029940 k( 209) = ( -0.2340425 0.1842426 0.0000000), wk = 0.0029940 k( 210) = ( -0.2446809 0.1926172 0.0000000), wk = 0.0029940 k( 211) = ( -0.2553191 0.2009919 0.0000000), wk = 0.0029940 k( 212) = ( -0.2659574 0.2093666 0.0000000), wk = 0.0029940 k( 213) = ( -0.2765957 0.2177412 0.0000000), wk = 0.0029940 k( 214) = ( -0.2872340 0.2261159 0.0000000), wk = 0.0029940 k( 215) = ( -0.2978723 0.2344905 0.0000000), wk = 0.0029940 k( 216) = ( -0.3085106 0.2428652 0.0000000), wk = 0.0029940 k( 217) = ( -0.3191489 0.2512399 0.0000000), wk = 0.0029940 k( 218) = ( -0.3297872 0.2596145 0.0000000), wk = 0.0029940 k( 219) = ( -0.3404255 0.2679892 0.0000000), wk = 0.0029940 k( 220) = ( -0.3510638 0.2763639 0.0000000), wk = 0.0029940 k( 221) = ( -0.3617021 0.2847385 0.0000000), wk = 0.0029940 k( 222) = ( -0.3723404 0.2931132 0.0000000), wk = 0.0029940 k( 223) = ( -0.3829787 0.3014878 0.0000000), wk = 0.0029940 k( 224) = ( -0.3936170 0.3098625 0.0000000), wk = 0.0029940 k( 225) = ( -0.4042553 0.3182372 0.0000000), wk = 0.0029940 k( 226) = ( -0.4148936 0.3266118 0.0000000), wk = 0.0029940 k( 227) = ( -0.4255319 0.3349865 0.0000000), wk = 0.0029940 k( 228) = ( -0.4361702 0.3433612 0.0000000), wk = 0.0029940 k( 229) = ( -0.4468085 0.3517358 0.0000000), wk = 0.0029940 k( 230) = ( -0.4574468 0.3601105 0.0000000), wk = 0.0029940 k( 231) = ( -0.4680851 0.3684851 0.0000000), wk = 0.0029940 k( 232) = ( -0.4787234 0.3768598 0.0000000), wk = 0.0029940 k( 233) = ( -0.4893617 0.3852345 0.0000000), wk = 0.0029940 k( 234) = ( -0.5000000 0.3936091 0.0000000), wk = 0.0029940 k( 235) = ( -0.5000000 0.3936091 0.0000000), wk = 0.0029940 k( 236) = ( -0.4920774 0.4036732 -0.0000000), wk = 0.0029940 k( 237) = ( -0.4841547 0.4137374 -0.0000000), wk = 0.0029940 k( 238) = ( -0.4762320 0.4238015 -0.0000000), wk = 0.0029940 k( 239) = ( -0.4683094 0.4338656 -0.0000000), wk = 0.0029940 k( 240) = ( -0.4603867 0.4439297 -0.0000000), wk = 0.0029940 k( 241) = ( -0.4524641 0.4539938 -0.0000000), wk = 0.0029940 k( 242) = ( -0.4445414 0.4640579 -0.0000000), wk = 0.0029940 k( 243) = ( -0.4366188 0.4741220 -0.0000000), wk = 0.0029940 k( 244) = ( -0.4286961 0.4841862 -0.0000000), wk = 0.0029940 k( 245) = ( -0.4207735 0.4942503 -0.0000000), wk = 0.0029940 k( 246) = ( -0.4128508 0.5043144 -0.0000000), wk = 0.0029940 k( 247) = ( -0.4049281 0.5143785 -0.0000000), wk = 0.0029940 k( 248) = ( -0.4049281 0.5143785 -0.0000000), wk = 0.0029940 k( 249) = ( -0.4049281 0.5143785 0.0127096), wk = 0.0029940 k( 250) = ( -0.4049281 0.5143785 0.0254192), wk = 0.0029940 k( 251) = ( -0.4049281 0.5143785 0.0381288), wk = 0.0029940 k( 252) = ( -0.4049281 0.5143785 0.0508384), wk = 0.0029940 k( 253) = ( -0.4049281 0.5143785 0.0635480), wk = 0.0029940 k( 254) = ( -0.4049281 0.5143785 0.0762576), wk = 0.0029940 k( 255) = ( -0.4049281 0.5143785 0.0889672), wk = 0.0029940 k( 256) = ( -0.4049281 0.5143785 0.1016768), wk = 0.0029940 k( 257) = ( -0.4049281 0.5143785 0.1143865), wk = 0.0029940 k( 258) = ( -0.4049281 0.5143785 0.1270961), wk = 0.0029940 k( 259) = ( -0.4049281 0.5143785 0.1398057), wk = 0.0029940 k( 260) = ( -0.4049281 0.5143785 0.1525153), wk = 0.0029940 k( 261) = ( -0.4049281 0.5143785 0.1525153), wk = 0.0029940 k( 262) = ( -0.4128508 0.5043144 0.1525153), wk = 0.0029940 k( 263) = ( -0.4207735 0.4942503 0.1525153), wk = 0.0029940 k( 264) = ( -0.4286961 0.4841862 0.1525153), wk = 0.0029940 k( 265) = ( -0.4366188 0.4741220 0.1525153), wk = 0.0029940 k( 266) = ( -0.4445414 0.4640579 0.1525153), wk = 0.0029940 k( 267) = ( -0.4524641 0.4539938 0.1525153), wk = 0.0029940 k( 268) = ( -0.4603867 0.4439297 0.1525153), wk = 0.0029940 k( 269) = ( -0.4683094 0.4338656 0.1525153), wk = 0.0029940 k( 270) = ( -0.4762320 0.4238015 0.1525153), wk = 0.0029940 k( 271) = ( -0.4841547 0.4137374 0.1525153), wk = 0.0029940 k( 272) = ( -0.4920774 0.4036732 0.1525153), wk = 0.0029940 k( 273) = ( -0.5000000 0.3936091 0.1525153), wk = 0.0029940 k( 274) = ( -0.5000000 0.3936091 0.1525153), wk = 0.0029940 k( 275) = ( -0.5000000 0.3936091 0.1398057), wk = 0.0029940 k( 276) = ( -0.5000000 0.3936091 0.1270961), wk = 0.0029940 k( 277) = ( -0.5000000 0.3936091 0.1143865), wk = 0.0029940 k( 278) = ( -0.5000000 0.3936091 0.1016768), wk = 0.0029940 k( 279) = ( -0.5000000 0.3936091 0.0889672), wk = 0.0029940 k( 280) = ( -0.5000000 0.3936091 0.0762576), wk = 0.0029940 k( 281) = ( -0.5000000 0.3936091 0.0635480), wk = 0.0029940 k( 282) = ( -0.5000000 0.3936091 0.0508384), wk = 0.0029940 k( 283) = ( -0.5000000 0.3936091 0.0381288), wk = 0.0029940 k( 284) = ( -0.5000000 0.3936091 0.0254192), wk = 0.0029940 k( 285) = ( -0.5000000 0.3936091 0.0127096), wk = 0.0029940 k( 286) = ( -0.5000000 0.3936091 0.0000000), wk = 0.0029940 k( 287) = ( 0.0000000 0.0000000 0.1525153), wk = 0.0029940 k( 288) = ( -0.0106383 0.0083747 0.1525153), wk = 0.0029940 k( 289) = ( -0.0212766 0.0167493 0.1525153), wk = 0.0029940 k( 290) = ( -0.0319149 0.0251240 0.1525153), wk = 0.0029940 k( 291) = ( -0.0425532 0.0334986 0.1525153), wk = 0.0029940 k( 292) = ( -0.0531915 0.0418733 0.1525153), wk = 0.0029940 k( 293) = ( -0.0638298 0.0502480 0.1525153), wk = 0.0029940 k( 294) = ( -0.0744681 0.0586226 0.1525153), wk = 0.0029940 k( 295) = ( -0.0851064 0.0669973 0.1525153), wk = 0.0029940 k( 296) = ( -0.0957447 0.0753720 0.1525153), wk = 0.0029940 k( 297) = ( -0.1063830 0.0837466 0.1525153), wk = 0.0029940 k( 298) = ( -0.1170213 0.0921213 0.1525153), wk = 0.0029940 k( 299) = ( -0.1276596 0.1004959 0.1525153), wk = 0.0029940 k( 300) = ( -0.1382979 0.1088706 0.1525153), wk = 0.0029940 k( 301) = ( -0.1489362 0.1172453 0.1525153), wk = 0.0029940 k( 302) = ( -0.1595745 0.1256199 0.1525153), wk = 0.0029940 k( 303) = ( -0.1702128 0.1339946 0.1525153), wk = 0.0029940 k( 304) = ( -0.1808511 0.1423693 0.1525153), wk = 0.0029940 k( 305) = ( -0.1914894 0.1507439 0.1525153), wk = 0.0029940 k( 306) = ( -0.2021277 0.1591186 0.1525153), wk = 0.0029940 k( 307) = ( -0.2127660 0.1674933 0.1525153), wk = 0.0029940 k( 308) = ( -0.2234043 0.1758679 0.1525153), wk = 0.0029940 k( 309) = ( -0.2340425 0.1842426 0.1525153), wk = 0.0029940 k( 310) = ( -0.2446809 0.1926172 0.1525153), wk = 0.0029940 k( 311) = ( -0.2553191 0.2009919 0.1525153), wk = 0.0029940 k( 312) = ( -0.2659574 0.2093666 0.1525153), wk = 0.0029940 k( 313) = ( -0.2765957 0.2177412 0.1525153), wk = 0.0029940 k( 314) = ( -0.2872340 0.2261159 0.1525153), wk = 0.0029940 k( 315) = ( -0.2978723 0.2344905 0.1525153), wk = 0.0029940 k( 316) = ( -0.3085106 0.2428652 0.1525153), wk = 0.0029940 k( 317) = ( -0.3191489 0.2512399 0.1525153), wk = 0.0029940 k( 318) = ( -0.3297872 0.2596145 0.1525153), wk = 0.0029940 k( 319) = ( -0.3404255 0.2679892 0.1525153), wk = 0.0029940 k( 320) = ( -0.3510638 0.2763639 0.1525153), wk = 0.0029940 k( 321) = ( -0.3617021 0.2847385 0.1525153), wk = 0.0029940 k( 322) = ( -0.3723404 0.2931132 0.1525153), wk = 0.0029940 k( 323) = ( -0.3829787 0.3014878 0.1525153), wk = 0.0029940 k( 324) = ( -0.3936170 0.3098625 0.1525153), wk = 0.0029940 k( 325) = ( -0.4042553 0.3182372 0.1525153), wk = 0.0029940 k( 326) = ( -0.4148936 0.3266118 0.1525153), wk = 0.0029940 k( 327) = ( -0.4255319 0.3349865 0.1525153), wk = 0.0029940 k( 328) = ( -0.4361702 0.3433612 0.1525153), wk = 0.0029940 k( 329) = ( -0.4468085 0.3517358 0.1525153), wk = 0.0029940 k( 330) = ( -0.4574468 0.3601105 0.1525153), wk = 0.0029940 k( 331) = ( -0.4680851 0.3684851 0.1525153), wk = 0.0029940 k( 332) = ( -0.4787234 0.3768598 0.1525153), wk = 0.0029940 k( 333) = ( -0.4893617 0.3852345 0.1525153), wk = 0.0029940 k( 334) = ( -0.5000000 0.3936091 0.1525153), wk = 0.0029940 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0084360 0.0084360 -0.0000000), wk = 0.0029940 k( 3) = ( 0.0168720 0.0168720 0.0000000), wk = 0.0029940 k( 4) = ( 0.0253080 0.0253080 0.0000000), wk = 0.0029940 k( 5) = ( 0.0337440 0.0337440 0.0000000), wk = 0.0029940 k( 6) = ( 0.0421800 0.0421800 0.0000000), wk = 0.0029940 k( 7) = ( 0.0506160 0.0506160 0.0000000), wk = 0.0029940 k( 8) = ( 0.0590520 0.0590520 0.0000000), wk = 0.0029940 k( 9) = ( 0.0674880 0.0674880 0.0000000), wk = 0.0029940 k( 10) = ( 0.0759240 0.0759240 0.0000000), wk = 0.0029940 k( 11) = ( 0.0843600 0.0843600 0.0000000), wk = 0.0029940 k( 12) = ( 0.0927960 0.0927960 0.0000000), wk = 0.0029940 k( 13) = ( 0.1012320 0.1012320 0.0000000), wk = 0.0029940 k( 14) = ( 0.1096680 0.1096680 0.0000000), wk = 0.0029940 k( 15) = ( 0.1181040 0.1181040 0.0000000), wk = 0.0029940 k( 16) = ( 0.1265400 0.1265400 0.0000000), wk = 0.0029940 k( 17) = ( 0.1349760 0.1349760 0.0000000), wk = 0.0029940 k( 18) = ( 0.1434121 0.1434121 0.0000000), wk = 0.0029940 k( 19) = ( 0.1518481 0.1518481 0.0000000), wk = 0.0029940 k( 20) = ( 0.1602841 0.1602841 0.0000000), wk = 0.0029940 k( 21) = ( 0.1687201 0.1687201 0.0000000), wk = 0.0029940 k( 22) = ( 0.1771561 0.1771561 0.0000000), wk = 0.0029940 k( 23) = ( 0.1855921 0.1855921 0.0000000), wk = 0.0029940 k( 24) = ( 0.1940281 0.1940281 0.0000000), wk = 0.0029940 k( 25) = ( 0.2024641 0.2024641 0.0000000), wk = 0.0029940 k( 26) = ( 0.2109001 0.2109001 0.0000000), wk = 0.0029940 k( 27) = ( 0.2193361 0.2193361 0.0000000), wk = 0.0029940 k( 28) = ( 0.2277721 0.2277721 0.0000000), wk = 0.0029940 k( 29) = ( 0.2362081 0.2362081 0.0000000), wk = 0.0029940 k( 30) = ( 0.2446441 0.2446441 0.0000000), wk = 0.0029940 k( 31) = ( 0.2530801 0.2530801 0.0000000), wk = 0.0029940 k( 32) = ( 0.2615161 0.2615161 0.0000000), wk = 0.0029940 k( 33) = ( 0.2699521 0.2699521 0.0000000), wk = 0.0029940 k( 34) = ( 0.2783881 0.2783881 0.0000000), wk = 0.0029940 k( 35) = ( 0.2868241 0.2868241 0.0000000), wk = 0.0029940 k( 36) = ( 0.2952601 0.2952601 0.0000000), wk = 0.0029940 k( 37) = ( 0.3036961 0.3036961 0.0000000), wk = 0.0029940 k( 38) = ( 0.3121321 0.3121321 0.0000000), wk = 0.0029940 k( 39) = ( 0.3205681 0.3205681 0.0000000), wk = 0.0029940 k( 40) = ( 0.3290041 0.3290041 0.0000000), wk = 0.0029940 k( 41) = ( 0.3374401 0.3374401 0.0000000), wk = 0.0029940 k( 42) = ( 0.3458761 0.3458761 0.0000000), wk = 0.0029940 k( 43) = ( 0.3543121 0.3543121 0.0000000), wk = 0.0029940 k( 44) = ( 0.3627481 0.3627481 0.0000000), wk = 0.0029940 k( 45) = ( 0.3711841 0.3711841 0.0000000), wk = 0.0029940 k( 46) = ( 0.3796201 0.3796201 0.0000000), wk = 0.0029940 k( 47) = ( 0.3880561 0.3880561 0.0000000), wk = 0.0029940 k( 48) = ( 0.3964921 0.3964922 0.0000000), wk = 0.0029940 k( 49) = ( 0.4049281 0.4049282 -0.0000000), wk = 0.0029940 k( 50) = ( 0.4049281 0.4049282 -0.0000000), wk = 0.0029940 k( 51) = ( 0.3914305 0.4080972 0.0000000), wk = 0.0029940 k( 52) = ( 0.3779329 0.4112663 -0.0000000), wk = 0.0029940 k( 53) = ( 0.3644353 0.4144353 0.0000000), wk = 0.0029940 k( 54) = ( 0.3509377 0.4176044 0.0000000), wk = 0.0029940 k( 55) = ( 0.3374401 0.4207735 0.0000000), wk = 0.0029940 k( 56) = ( 0.3239425 0.4239425 0.0000000), wk = 0.0029940 k( 57) = ( 0.3104449 0.4271116 -0.0000000), wk = 0.0029940 k( 58) = ( 0.2969473 0.4302806 0.0000000), wk = 0.0029940 k( 59) = ( 0.2834497 0.4334497 0.0000000), wk = 0.0029940 k( 60) = ( 0.2699521 0.4366188 0.0000000), wk = 0.0029940 k( 61) = ( 0.2564545 0.4397878 0.0000000), wk = 0.0029940 k( 62) = ( 0.2429569 0.4429569 0.0000000), wk = 0.0029940 k( 63) = ( 0.2294593 0.4461259 0.0000000), wk = 0.0029940 k( 64) = ( 0.2159617 0.4492950 0.0000000), wk = 0.0029940 k( 65) = ( 0.2024641 0.4524641 0.0000000), wk = 0.0029940 k( 66) = ( 0.1889665 0.4556331 0.0000000), wk = 0.0029940 k( 67) = ( 0.1754689 0.4588022 0.0000000), wk = 0.0029940 k( 68) = ( 0.1619713 0.4619713 0.0000000), wk = 0.0029940 k( 69) = ( 0.1484737 0.4651403 0.0000000), wk = 0.0029940 k( 70) = ( 0.1349760 0.4683094 0.0000000), wk = 0.0029940 k( 71) = ( 0.1214785 0.4714784 0.0000000), wk = 0.0029940 k( 72) = ( 0.1079808 0.4746475 0.0000000), wk = 0.0029940 k( 73) = ( 0.0944832 0.4778166 0.0000000), wk = 0.0029940 k( 74) = ( 0.0809856 0.4809856 0.0000000), wk = 0.0029940 k( 75) = ( 0.0674880 0.4841547 0.0000000), wk = 0.0029940 k( 76) = ( 0.0539904 0.4873238 0.0000000), wk = 0.0029940 k( 77) = ( 0.0404928 0.4904928 0.0000000), wk = 0.0029940 k( 78) = ( 0.0269952 0.4936619 0.0000000), wk = 0.0029940 k( 79) = ( 0.0134976 0.4968309 -0.0000000), wk = 0.0029940 k( 80) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029940 k( 81) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029940 k( 82) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0029940 k( 83) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0029940 k( 84) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0029940 k( 85) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0029940 k( 86) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0029940 k( 87) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029940 k( 88) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0029940 k( 89) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0029940 k( 90) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0029940 k( 91) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0029940 k( 92) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0029940 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029940 k( 94) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029940 k( 95) = ( 0.0134976 0.4968309 0.5000000), wk = 0.0029940 k( 96) = ( 0.0269952 0.4936619 0.5000000), wk = 0.0029940 k( 97) = ( 0.0404928 0.4904928 0.5000000), wk = 0.0029940 k( 98) = ( 0.0539904 0.4873238 0.5000000), wk = 0.0029940 k( 99) = ( 0.0674880 0.4841547 0.5000000), wk = 0.0029940 k( 100) = ( 0.0809856 0.4809856 0.5000000), wk = 0.0029940 k( 101) = ( 0.0944832 0.4778166 0.5000000), wk = 0.0029940 k( 102) = ( 0.1079808 0.4746475 0.5000000), wk = 0.0029940 k( 103) = ( 0.1214785 0.4714784 0.5000000), wk = 0.0029940 k( 104) = ( 0.1349760 0.4683094 0.5000000), wk = 0.0029940 k( 105) = ( 0.1484737 0.4651403 0.5000000), wk = 0.0029940 k( 106) = ( 0.1619713 0.4619713 0.5000000), wk = 0.0029940 k( 107) = ( 0.1754689 0.4588022 0.5000000), wk = 0.0029940 k( 108) = ( 0.1889665 0.4556331 0.5000000), wk = 0.0029940 k( 109) = ( 0.2024641 0.4524641 0.5000000), wk = 0.0029940 k( 110) = ( 0.2159617 0.4492950 0.5000000), wk = 0.0029940 k( 111) = ( 0.2294593 0.4461259 0.5000000), wk = 0.0029940 k( 112) = ( 0.2429569 0.4429569 0.5000000), wk = 0.0029940 k( 113) = ( 0.2564545 0.4397878 0.5000000), wk = 0.0029940 k( 114) = ( 0.2699521 0.4366188 0.5000000), wk = 0.0029940 k( 115) = ( 0.2834497 0.4334497 0.5000000), wk = 0.0029940 k( 116) = ( 0.2969473 0.4302806 0.5000000), wk = 0.0029940 k( 117) = ( 0.3104449 0.4271116 0.5000000), wk = 0.0029940 k( 118) = ( 0.3239425 0.4239425 0.5000000), wk = 0.0029940 k( 119) = ( 0.3374401 0.4207735 0.5000000), wk = 0.0029940 k( 120) = ( 0.3509377 0.4176044 0.5000000), wk = 0.0029940 k( 121) = ( 0.3644353 0.4144353 0.5000000), wk = 0.0029940 k( 122) = ( 0.3779329 0.4112663 0.5000000), wk = 0.0029940 k( 123) = ( 0.3914305 0.4080972 0.5000000), wk = 0.0029940 k( 124) = ( 0.4049281 0.4049282 0.5000000), wk = 0.0029940 k( 125) = ( 0.4049281 0.4049282 0.5000000), wk = 0.0029940 k( 126) = ( 0.3964921 0.3964922 0.5000000), wk = 0.0029940 k( 127) = ( 0.3880561 0.3880561 0.5000000), wk = 0.0029940 k( 128) = ( 0.3796201 0.3796201 0.5000000), wk = 0.0029940 k( 129) = ( 0.3711841 0.3711841 0.5000000), wk = 0.0029940 k( 130) = ( 0.3627481 0.3627481 0.5000000), wk = 0.0029940 k( 131) = ( 0.3543121 0.3543121 0.5000000), wk = 0.0029940 k( 132) = ( 0.3458761 0.3458761 0.5000000), wk = 0.0029940 k( 133) = ( 0.3374401 0.3374401 0.5000000), wk = 0.0029940 k( 134) = ( 0.3290041 0.3290041 0.5000000), wk = 0.0029940 k( 135) = ( 0.3205681 0.3205681 0.5000000), wk = 0.0029940 k( 136) = ( 0.3121321 0.3121321 0.5000000), wk = 0.0029940 k( 137) = ( 0.3036961 0.3036961 0.5000000), wk = 0.0029940 k( 138) = ( 0.2952601 0.2952601 0.5000000), wk = 0.0029940 k( 139) = ( 0.2868241 0.2868241 0.5000000), wk = 0.0029940 k( 140) = ( 0.2783881 0.2783881 0.5000000), wk = 0.0029940 k( 141) = ( 0.2699521 0.2699521 0.5000000), wk = 0.0029940 k( 142) = ( 0.2615161 0.2615161 0.5000000), wk = 0.0029940 k( 143) = ( 0.2530801 0.2530801 0.5000000), wk = 0.0029940 k( 144) = ( 0.2446441 0.2446441 0.5000000), wk = 0.0029940 k( 145) = ( 0.2362081 0.2362081 0.5000000), wk = 0.0029940 k( 146) = ( 0.2277721 0.2277721 0.5000000), wk = 0.0029940 k( 147) = ( 0.2193361 0.2193361 0.5000000), wk = 0.0029940 k( 148) = ( 0.2109001 0.2109001 0.5000000), wk = 0.0029940 k( 149) = ( 0.2024641 0.2024641 0.5000000), wk = 0.0029940 k( 150) = ( 0.1940281 0.1940281 0.5000000), wk = 0.0029940 k( 151) = ( 0.1855921 0.1855921 0.5000000), wk = 0.0029940 k( 152) = ( 0.1771561 0.1771561 0.5000000), wk = 0.0029940 k( 153) = ( 0.1687201 0.1687201 0.5000000), wk = 0.0029940 k( 154) = ( 0.1602841 0.1602841 0.5000000), wk = 0.0029940 k( 155) = ( 0.1518481 0.1518481 0.5000000), wk = 0.0029940 k( 156) = ( 0.1434121 0.1434121 0.5000000), wk = 0.0029940 k( 157) = ( 0.1349760 0.1349760 0.5000000), wk = 0.0029940 k( 158) = ( 0.1265400 0.1265400 0.5000000), wk = 0.0029940 k( 159) = ( 0.1181040 0.1181040 0.5000000), wk = 0.0029940 k( 160) = ( 0.1096680 0.1096680 0.5000000), wk = 0.0029940 k( 161) = ( 0.1012320 0.1012320 0.5000000), wk = 0.0029940 k( 162) = ( 0.0927960 0.0927960 0.5000000), wk = 0.0029940 k( 163) = ( 0.0843600 0.0843600 0.5000000), wk = 0.0029940 k( 164) = ( 0.0759240 0.0759240 0.5000000), wk = 0.0029940 k( 165) = ( 0.0674880 0.0674880 0.5000000), wk = 0.0029940 k( 166) = ( 0.0590520 0.0590520 0.5000000), wk = 0.0029940 k( 167) = ( 0.0506160 0.0506160 0.5000000), wk = 0.0029940 k( 168) = ( 0.0421800 0.0421800 0.5000000), wk = 0.0029940 k( 169) = ( 0.0337440 0.0337440 0.5000000), wk = 0.0029940 k( 170) = ( 0.0253080 0.0253080 0.5000000), wk = 0.0029940 k( 171) = ( 0.0168720 0.0168720 0.5000000), wk = 0.0029940 k( 172) = ( 0.0084360 0.0084360 0.5000000), wk = 0.0029940 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 175) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0029940 k( 176) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029940 k( 177) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029940 k( 178) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029940 k( 179) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0029940 k( 180) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029940 k( 181) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0029940 k( 182) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029940 k( 183) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029940 k( 184) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029940 k( 185) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0029940 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 188) = ( -0.0106383 0.0106383 0.0000000), wk = 0.0029940 k( 189) = ( -0.0212766 0.0212766 0.0000000), wk = 0.0029940 k( 190) = ( -0.0319149 0.0319149 0.0000000), wk = 0.0029940 k( 191) = ( -0.0425532 0.0425532 -0.0000000), wk = 0.0029940 k( 192) = ( -0.0531915 0.0531915 0.0000000), wk = 0.0029940 k( 193) = ( -0.0638298 0.0638298 0.0000000), wk = 0.0029940 k( 194) = ( -0.0744681 0.0744681 0.0000000), wk = 0.0029940 k( 195) = ( -0.0851064 0.0851064 -0.0000000), wk = 0.0029940 k( 196) = ( -0.0957447 0.0957447 0.0000000), wk = 0.0029940 k( 197) = ( -0.1063830 0.1063830 0.0000000), wk = 0.0029940 k( 198) = ( -0.1170213 0.1170213 0.0000000), wk = 0.0029940 k( 199) = ( -0.1276596 0.1276596 0.0000000), wk = 0.0029940 k( 200) = ( -0.1382979 0.1382979 0.0000000), wk = 0.0029940 k( 201) = ( -0.1489362 0.1489362 0.0000000), wk = 0.0029940 k( 202) = ( -0.1595745 0.1595745 0.0000000), wk = 0.0029940 k( 203) = ( -0.1702128 0.1702128 0.0000000), wk = 0.0029940 k( 204) = ( -0.1808511 0.1808511 0.0000000), wk = 0.0029940 k( 205) = ( -0.1914894 0.1914894 0.0000000), wk = 0.0029940 k( 206) = ( -0.2021277 0.2021277 0.0000000), wk = 0.0029940 k( 207) = ( -0.2127660 0.2127660 0.0000000), wk = 0.0029940 k( 208) = ( -0.2234043 0.2234043 0.0000000), wk = 0.0029940 k( 209) = ( -0.2340425 0.2340426 -0.0000000), wk = 0.0029940 k( 210) = ( -0.2446809 0.2446809 0.0000000), wk = 0.0029940 k( 211) = ( -0.2553191 0.2553191 0.0000000), wk = 0.0029940 k( 212) = ( -0.2659574 0.2659575 0.0000000), wk = 0.0029940 k( 213) = ( -0.2765957 0.2765957 0.0000000), wk = 0.0029940 k( 214) = ( -0.2872340 0.2872340 -0.0000000), wk = 0.0029940 k( 215) = ( -0.2978723 0.2978723 0.0000000), wk = 0.0029940 k( 216) = ( -0.3085106 0.3085106 0.0000000), wk = 0.0029940 k( 217) = ( -0.3191489 0.3191489 0.0000000), wk = 0.0029940 k( 218) = ( -0.3297872 0.3297872 0.0000000), wk = 0.0029940 k( 219) = ( -0.3404255 0.3404255 0.0000000), wk = 0.0029940 k( 220) = ( -0.3510638 0.3510638 -0.0000000), wk = 0.0029940 k( 221) = ( -0.3617021 0.3617021 0.0000000), wk = 0.0029940 k( 222) = ( -0.3723404 0.3723404 0.0000000), wk = 0.0029940 k( 223) = ( -0.3829787 0.3829787 0.0000000), wk = 0.0029940 k( 224) = ( -0.3936170 0.3936170 -0.0000000), wk = 0.0029940 k( 225) = ( -0.4042553 0.4042553 0.0000000), wk = 0.0029940 k( 226) = ( -0.4148936 0.4148936 0.0000000), wk = 0.0029940 k( 227) = ( -0.4255319 0.4255319 0.0000000), wk = 0.0029940 k( 228) = ( -0.4361702 0.4361702 0.0000000), wk = 0.0029940 k( 229) = ( -0.4468085 0.4468085 -0.0000000), wk = 0.0029940 k( 230) = ( -0.4574468 0.4574468 0.0000000), wk = 0.0029940 k( 231) = ( -0.4680851 0.4680851 0.0000000), wk = 0.0029940 k( 232) = ( -0.4787234 0.4787234 0.0000000), wk = 0.0029940 k( 233) = ( -0.4893617 0.4893617 0.0000000), wk = 0.0029940 k( 234) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0029940 k( 235) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0029940 k( 236) = ( -0.4920774 0.5079227 0.0000000), wk = 0.0029940 k( 237) = ( -0.4841547 0.5158453 0.0000000), wk = 0.0029940 k( 238) = ( -0.4762320 0.5237680 0.0000000), wk = 0.0029940 k( 239) = ( -0.4683094 0.5316906 -0.0000000), wk = 0.0029940 k( 240) = ( -0.4603867 0.5396133 0.0000000), wk = 0.0029940 k( 241) = ( -0.4524641 0.5475359 0.0000000), wk = 0.0029940 k( 242) = ( -0.4445414 0.5554586 0.0000000), wk = 0.0029940 k( 243) = ( -0.4366188 0.5633812 0.0000000), wk = 0.0029940 k( 244) = ( -0.4286961 0.5713039 0.0000000), wk = 0.0029940 k( 245) = ( -0.4207735 0.5792265 0.0000000), wk = 0.0029940 k( 246) = ( -0.4128508 0.5871492 -0.0000000), wk = 0.0029940 k( 247) = ( -0.4049281 0.5950719 0.0000000), wk = 0.0029940 k( 248) = ( -0.4049281 0.5950719 0.0000000), wk = 0.0029940 k( 249) = ( -0.4049281 0.5950719 0.0416667), wk = 0.0029940 k( 250) = ( -0.4049281 0.5950719 0.0833333), wk = 0.0029940 k( 251) = ( -0.4049281 0.5950719 0.1250000), wk = 0.0029940 k( 252) = ( -0.4049281 0.5950719 0.1666667), wk = 0.0029940 k( 253) = ( -0.4049281 0.5950719 0.2083333), wk = 0.0029940 k( 254) = ( -0.4049281 0.5950719 0.2500000), wk = 0.0029940 k( 255) = ( -0.4049281 0.5950719 0.2916667), wk = 0.0029940 k( 256) = ( -0.4049281 0.5950719 0.3333333), wk = 0.0029940 k( 257) = ( -0.4049281 0.5950719 0.3750000), wk = 0.0029940 k( 258) = ( -0.4049281 0.5950719 0.4166667), wk = 0.0029940 k( 259) = ( -0.4049281 0.5950719 0.4583333), wk = 0.0029940 k( 260) = ( -0.4049281 0.5950719 0.5000000), wk = 0.0029940 k( 261) = ( -0.4049281 0.5950719 0.5000000), wk = 0.0029940 k( 262) = ( -0.4128508 0.5871492 0.5000000), wk = 0.0029940 k( 263) = ( -0.4207735 0.5792265 0.5000000), wk = 0.0029940 k( 264) = ( -0.4286961 0.5713039 0.5000000), wk = 0.0029940 k( 265) = ( -0.4366188 0.5633812 0.5000000), wk = 0.0029940 k( 266) = ( -0.4445414 0.5554586 0.5000000), wk = 0.0029940 k( 267) = ( -0.4524641 0.5475359 0.5000000), wk = 0.0029940 k( 268) = ( -0.4603867 0.5396133 0.5000000), wk = 0.0029940 k( 269) = ( -0.4683094 0.5316906 0.5000000), wk = 0.0029940 k( 270) = ( -0.4762320 0.5237680 0.5000000), wk = 0.0029940 k( 271) = ( -0.4841547 0.5158453 0.5000000), wk = 0.0029940 k( 272) = ( -0.4920774 0.5079227 0.5000000), wk = 0.0029940 k( 273) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 274) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 275) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0029940 k( 276) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0029940 k( 277) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0029940 k( 278) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0029940 k( 279) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0029940 k( 280) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0029940 k( 281) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0029940 k( 282) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0029940 k( 283) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0029940 k( 284) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0029940 k( 285) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0029940 k( 286) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0029940 k( 287) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 288) = ( -0.0106383 0.0106383 0.5000000), wk = 0.0029940 k( 289) = ( -0.0212766 0.0212766 0.5000000), wk = 0.0029940 k( 290) = ( -0.0319149 0.0319149 0.5000000), wk = 0.0029940 k( 291) = ( -0.0425532 0.0425532 0.5000000), wk = 0.0029940 k( 292) = ( -0.0531915 0.0531915 0.5000000), wk = 0.0029940 k( 293) = ( -0.0638298 0.0638298 0.5000000), wk = 0.0029940 k( 294) = ( -0.0744681 0.0744681 0.5000000), wk = 0.0029940 k( 295) = ( -0.0851064 0.0851064 0.5000000), wk = 0.0029940 k( 296) = ( -0.0957447 0.0957447 0.5000000), wk = 0.0029940 k( 297) = ( -0.1063830 0.1063830 0.5000000), wk = 0.0029940 k( 298) = ( -0.1170213 0.1170213 0.5000000), wk = 0.0029940 k( 299) = ( -0.1276596 0.1276596 0.5000000), wk = 0.0029940 k( 300) = ( -0.1382979 0.1382979 0.5000000), wk = 0.0029940 k( 301) = ( -0.1489362 0.1489362 0.5000000), wk = 0.0029940 k( 302) = ( -0.1595745 0.1595745 0.5000000), wk = 0.0029940 k( 303) = ( -0.1702128 0.1702128 0.5000000), wk = 0.0029940 k( 304) = ( -0.1808511 0.1808511 0.5000000), wk = 0.0029940 k( 305) = ( -0.1914894 0.1914894 0.5000000), wk = 0.0029940 k( 306) = ( -0.2021277 0.2021277 0.5000000), wk = 0.0029940 k( 307) = ( -0.2127660 0.2127660 0.5000000), wk = 0.0029940 k( 308) = ( -0.2234043 0.2234043 0.5000000), wk = 0.0029940 k( 309) = ( -0.2340425 0.2340426 0.5000000), wk = 0.0029940 k( 310) = ( -0.2446809 0.2446809 0.5000000), wk = 0.0029940 k( 311) = ( -0.2553191 0.2553191 0.5000000), wk = 0.0029940 k( 312) = ( -0.2659574 0.2659575 0.5000000), wk = 0.0029940 k( 313) = ( -0.2765957 0.2765957 0.5000000), wk = 0.0029940 k( 314) = ( -0.2872340 0.2872340 0.5000000), wk = 0.0029940 k( 315) = ( -0.2978723 0.2978723 0.5000000), wk = 0.0029940 k( 316) = ( -0.3085106 0.3085106 0.5000000), wk = 0.0029940 k( 317) = ( -0.3191489 0.3191489 0.5000000), wk = 0.0029940 k( 318) = ( -0.3297872 0.3297872 0.5000000), wk = 0.0029940 k( 319) = ( -0.3404255 0.3404255 0.5000000), wk = 0.0029940 k( 320) = ( -0.3510638 0.3510638 0.5000000), wk = 0.0029940 k( 321) = ( -0.3617021 0.3617021 0.5000000), wk = 0.0029940 k( 322) = ( -0.3723404 0.3723404 0.5000000), wk = 0.0029940 k( 323) = ( -0.3829787 0.3829787 0.5000000), wk = 0.0029940 k( 324) = ( -0.3936170 0.3936170 0.5000000), wk = 0.0029940 k( 325) = ( -0.4042553 0.4042553 0.5000000), wk = 0.0029940 k( 326) = ( -0.4148936 0.4148936 0.5000000), wk = 0.0029940 k( 327) = ( -0.4255319 0.4255319 0.5000000), wk = 0.0029940 k( 328) = ( -0.4361702 0.4361702 0.5000000), wk = 0.0029940 k( 329) = ( -0.4468085 0.4468085 0.5000000), wk = 0.0029940 k( 330) = ( -0.4574468 0.4574468 0.5000000), wk = 0.0029940 k( 331) = ( -0.4680851 0.4680851 0.5000000), wk = 0.0029940 k( 332) = ( -0.4787234 0.4787234 0.5000000), wk = 0.0029940 k( 333) = ( -0.4893617 0.4893617 0.5000000), wk = 0.0029940 k( 334) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029940 Dense grid: 109451 G-vectors FFT dimensions: ( 45, 45, 135) Smooth grid: 81241 G-vectors FFT dimensions: ( 40, 40, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.42 Mb ( 446, 62) NL pseudopotentials 0.38 Mb ( 223, 112) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2278) G-vector shells 0.01 Mb ( 1152) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.69 Mb ( 446, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.21 Mb ( 112, 2, 62) The potential is recalculated from file : ./SeBr.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.4 secs Computing kpt #: 2 total cpu time spent up to now is 44.4 secs Computing kpt #: 3 total cpu time spent up to now is 47.3 secs Computing kpt #: 4 total cpu time spent up to now is 50.3 secs Computing kpt #: 5 total cpu time spent up to now is 53.3 secs Computing kpt #: 6 total cpu time spent up to now is 56.2 secs Computing kpt #: 7 total cpu time spent up to now is 59.2 secs Computing kpt #: 8 total cpu time spent up to now is 62.6 secs Computing kpt #: 9 total cpu time spent up to now is 66.9 secs Computing kpt #: 10 total cpu time spent up to now is 71.1 secs Computing kpt #: 11 total cpu time spent up to now is 75.0 secs Computing kpt #: 12 total cpu time spent up to now is 78.0 secs Computing kpt #: 13 total cpu time spent up to now is 80.9 secs Computing kpt #: 14 total cpu time spent up to now is 84.2 secs Computing kpt #: 15 total cpu time spent up to now is 87.2 secs Computing kpt #: 16 total cpu time spent up to now is 90.8 secs Computing kpt #: 17 total cpu time spent up to now is 93.7 secs Computing kpt #: 18 total cpu time spent up to now is 97.7 secs Computing kpt #: 19 total cpu time spent up to now is 102.3 secs Computing kpt #: 20 total cpu time spent up to now is 105.9 secs Computing kpt #: 21 total cpu time spent up to now is 110.9 secs Computing kpt #: 22 total cpu time spent up to now is 114.1 secs Computing kpt #: 23 total cpu time spent up to now is 117.6 secs Computing kpt #: 24 total cpu time spent up to now is 121.1 secs Computing kpt #: 25 total cpu time spent up to now is 126.0 secs Computing kpt #: 26 total cpu time spent up to now is 130.2 secs Computing kpt #: 27 total cpu time spent up to now is 134.6 secs Computing kpt #: 28 total cpu time spent up to now is 138.0 secs Computing kpt #: 29 total cpu time spent up to now is 144.6 secs Computing kpt #: 30 total cpu time spent up to now is 148.3 secs Computing kpt #: 31 total cpu time spent up to now is 151.7 secs Computing kpt #: 32 total cpu time spent up to now is 154.7 secs Computing kpt #: 33 total cpu time spent up to now is 157.7 secs Computing kpt #: 34 total cpu time spent up to now is 161.1 secs Computing kpt #: 35 total cpu time spent up to now is 164.1 secs Computing kpt #: 36 total cpu time spent up to now is 167.5 secs Computing kpt #: 37 total cpu time spent up to now is 170.7 secs Computing kpt #: 38 total cpu time spent up to now is 175.6 secs Computing kpt #: 39 total cpu time spent up to now is 178.8 secs Computing kpt #: 40 total cpu time spent up to now is 184.2 secs Computing kpt #: 41 total cpu time spent up to now is 187.3 secs Computing kpt #: 42 total cpu time spent up to now is 190.4 secs Computing kpt #: 43 total cpu time spent up to now is 195.2 secs Computing kpt #: 44 total cpu time spent up to now is 198.2 secs Computing kpt #: 45 total cpu time spent up to now is 201.2 secs Computing kpt #: 46 total cpu time spent up to now is 205.2 secs Computing kpt #: 47 total cpu time spent up to now is 210.1 secs Computing kpt #: 48 total cpu time spent up to now is 215.5 secs Computing kpt #: 49 total cpu time spent up to now is 222.9 secs Computing kpt #: 50 total cpu time spent up to now is 229.0 secs Computing kpt #: 51 total cpu time spent up to now is 232.9 secs Computing kpt #: 52 total cpu time spent up to now is 238.3 secs Computing kpt #: 53 total cpu time spent up to now is 241.5 secs Computing kpt #: 54 total cpu time spent up to now is 244.5 secs Computing kpt #: 55 total cpu time spent up to now is 247.8 secs Computing kpt #: 56 total cpu time spent up to now is 251.2 secs Computing kpt #: 57 total cpu time spent up to now is 254.5 secs Computing kpt #: 58 total cpu time spent up to now is 257.9 secs Computing kpt #: 59 total cpu time spent up to now is 262.4 secs Computing kpt #: 60 total cpu time spent up to now is 265.8 secs Computing kpt #: 61 total cpu time spent up to now is 269.5 secs Computing kpt #: 62 total cpu time spent up to now is 272.9 secs Computing kpt #: 63 total cpu time spent up to now is 276.7 secs Computing kpt #: 64 total cpu time spent up to now is 280.0 secs Computing kpt #: 65 total cpu time spent up to now is 284.2 secs Computing kpt #: 66 total cpu time spent up to now is 287.3 secs Computing kpt #: 67 total cpu time spent up to now is 290.4 secs Computing kpt #: 68 total cpu time spent up to now is 293.7 secs Computing kpt #: 69 total cpu time spent up to now is 297.7 secs Computing kpt #: 70 total cpu time spent up to now is 301.6 secs Computing kpt #: 71 total cpu time spent up to now is 305.7 secs Computing kpt #: 72 total cpu time spent up to now is 309.2 secs Computing kpt #: 73 total cpu time spent up to now is 314.1 secs Computing kpt #: 74 total cpu time spent up to now is 318.2 secs Computing kpt #: 75 total cpu time spent up to now is 325.7 secs Computing kpt #: 76 total cpu time spent up to now is 329.8 secs Computing kpt #: 77 total cpu time spent up to now is 333.4 secs Computing kpt #: 78 total cpu time spent up to now is 337.3 secs Computing kpt #: 79 total cpu time spent up to now is 340.7 secs Computing kpt #: 80 total cpu time spent up to now is 345.6 secs Computing kpt #: 81 total cpu time spent up to now is 348.9 secs Computing kpt #: 82 total cpu time spent up to now is 352.4 secs Computing kpt #: 83 total cpu time spent up to now is 355.5 secs Computing kpt #: 84 total cpu time spent up to now is 358.6 secs Computing kpt #: 85 total cpu time spent up to now is 362.0 secs Computing kpt #: 86 total cpu time spent up to now is 365.1 secs Computing kpt #: 87 total cpu time spent up to now is 368.9 secs Computing kpt #: 88 total cpu time spent up to now is 373.6 secs Computing kpt #: 89 total cpu time spent up to now is 377.6 secs Computing kpt #: 90 total cpu time spent up to now is 380.6 secs Computing kpt #: 91 total cpu time spent up to now is 383.8 secs Computing kpt #: 92 total cpu time spent up to now is 386.9 secs Computing kpt #: 93 total cpu time spent up to now is 390.1 secs Computing kpt #: 94 total cpu time spent up to now is 393.4 secs Computing kpt #: 95 total cpu time spent up to now is 398.0 secs Computing kpt #: 96 total cpu time spent up to now is 403.0 secs Computing kpt #: 97 total cpu time spent up to now is 407.6 secs Computing kpt #: 98 total cpu time spent up to now is 413.6 secs Computing kpt #: 99 total cpu time spent up to now is 416.6 secs Computing kpt #: 100 total cpu time spent up to now is 421.1 secs Computing kpt #: 101 total cpu time spent up to now is 424.3 secs Computing kpt #: 102 total cpu time spent up to now is 427.9 secs Computing kpt #: 103 total cpu time spent up to now is 431.1 secs Computing kpt #: 104 total cpu time spent up to now is 434.1 secs Computing kpt #: 105 total cpu time spent up to now is 437.4 secs Computing kpt #: 106 total cpu time spent up to now is 440.6 secs Computing kpt #: 107 total cpu time spent up to now is 444.4 secs Computing kpt #: 108 total cpu time spent up to now is 447.6 secs Computing kpt #: 109 total cpu time spent up to now is 451.1 secs Computing kpt #: 110 total cpu time spent up to now is 454.5 secs Computing kpt #: 111 total cpu time spent up to now is 458.4 secs Computing kpt #: 112 total cpu time spent up to now is 461.5 secs Computing kpt #: 113 total cpu time spent up to now is 467.1 secs Computing kpt #: 114 total cpu time spent up to now is 471.2 secs Computing kpt #: 115 total cpu time spent up to now is 474.6 secs Computing kpt #: 116 total cpu time spent up to now is 480.8 secs Computing kpt #: 117 total cpu time spent up to now is 485.9 secs Computing kpt #: 118 total cpu time spent up to now is 490.0 secs Computing kpt #: 119 total cpu time spent up to now is 494.4 secs Computing kpt #: 120 total cpu time spent up to now is 497.6 secs Computing kpt #: 121 total cpu time spent up to now is 502.7 secs Computing kpt #: 122 total cpu time spent up to now is 505.9 secs Computing kpt #: 123 total cpu time spent up to now is 509.2 secs Computing kpt #: 124 total cpu time spent up to now is 512.2 secs Computing kpt #: 125 total cpu time spent up to now is 515.9 secs Computing kpt #: 126 total cpu time spent up to now is 519.0 secs Computing kpt #: 127 total cpu time spent up to now is 522.2 secs Computing kpt #: 128 total cpu time spent up to now is 526.0 secs Computing kpt #: 129 total cpu time spent up to now is 529.2 secs Computing kpt #: 130 total cpu time spent up to now is 532.3 secs Computing kpt #: 131 total cpu time spent up to now is 535.5 secs Computing kpt #: 132 total cpu time spent up to now is 539.9 secs Computing kpt #: 133 total cpu time spent up to now is 544.5 secs Computing kpt #: 134 total cpu time spent up to now is 548.2 secs Computing kpt #: 135 total cpu time spent up to now is 551.6 secs Computing kpt #: 136 total cpu time spent up to now is 554.9 secs Computing kpt #: 137 total cpu time spent up to now is 559.3 secs Computing kpt #: 138 total cpu time spent up to now is 562.4 secs Computing kpt #: 139 total cpu time spent up to now is 566.9 secs Computing kpt #: 140 total cpu time spent up to now is 572.2 secs Computing kpt #: 141 total cpu time spent up to now is 576.0 secs Computing kpt #: 142 total cpu time spent up to now is 581.6 secs Computing kpt #: 143 total cpu time spent up to now is 585.7 secs Computing kpt #: 144 total cpu time spent up to now is 589.3 secs Computing kpt #: 145 total cpu time spent up to now is 593.7 secs Computing kpt #: 146 total cpu time spent up to now is 597.1 secs Computing kpt #: 147 total cpu time spent up to now is 601.0 secs Computing kpt #: 148 total cpu time spent up to now is 604.7 secs Computing kpt #: 149 total cpu time spent up to now is 609.8 secs Computing kpt #: 150 total cpu time spent up to now is 612.8 secs Computing kpt #: 151 total cpu time spent up to now is 615.9 secs Computing kpt #: 152 total cpu time spent up to now is 619.7 secs Computing kpt #: 153 total cpu time spent up to now is 623.0 secs Computing kpt #: 154 total cpu time spent up to now is 627.3 secs Computing kpt #: 155 total cpu time spent up to now is 631.6 secs Computing kpt #: 156 total cpu time spent up to now is 635.7 secs Computing kpt #: 157 total cpu time spent up to now is 639.4 secs Computing kpt #: 158 total cpu time spent up to now is 642.4 secs Computing kpt #: 159 total cpu time spent up to now is 645.5 secs Computing kpt #: 160 total cpu time spent up to now is 649.2 secs Computing kpt #: 161 total cpu time spent up to now is 652.9 secs Computing kpt #: 162 total cpu time spent up to now is 658.6 secs Computing kpt #: 163 total cpu time spent up to now is 662.1 secs Computing kpt #: 164 total cpu time spent up to now is 666.0 secs Computing kpt #: 165 total cpu time spent up to now is 672.8 secs Computing kpt #: 166 total cpu time spent up to now is 676.2 secs Computing kpt #: 167 total cpu time spent up to now is 683.5 secs Computing kpt #: 168 total cpu time spent up to now is 686.8 secs Computing kpt #: 169 total cpu time spent up to now is 690.2 secs Computing kpt #: 170 total cpu time spent up to now is 693.3 secs Computing kpt #: 171 total cpu time spent up to now is 696.6 secs Computing kpt #: 172 total cpu time spent up to now is 700.1 secs Computing kpt #: 173 total cpu time spent up to now is 703.3 secs Computing kpt #: 174 total cpu time spent up to now is 706.8 secs Computing kpt #: 175 total cpu time spent up to now is 710.4 secs Computing kpt #: 176 total cpu time spent up to now is 714.8 secs Computing kpt #: 177 total cpu time spent up to now is 718.5 secs Computing kpt #: 178 total cpu time spent up to now is 721.7 secs Computing kpt #: 179 total cpu time spent up to now is 726.0 secs Computing kpt #: 180 total cpu time spent up to now is 730.3 secs Computing kpt #: 181 total cpu time spent up to now is 735.4 secs Computing kpt #: 182 total cpu time spent up to now is 738.4 secs Computing kpt #: 183 total cpu time spent up to now is 741.7 secs Computing kpt #: 184 total cpu time spent up to now is 745.6 secs Computing kpt #: 185 total cpu time spent up to now is 752.9 secs Computing kpt #: 186 total cpu time spent up to now is 757.0 secs Computing kpt #: 187 total cpu time spent up to now is 760.4 secs Computing kpt #: 188 total cpu time spent up to now is 763.7 secs Computing kpt #: 189 total cpu time spent up to now is 767.2 secs Computing kpt #: 190 total cpu time spent up to now is 770.6 secs Computing kpt #: 191 total cpu time spent up to now is 775.2 secs Computing kpt #: 192 total cpu time spent up to now is 778.9 secs Computing kpt #: 193 total cpu time spent up to now is 783.1 secs Computing kpt #: 194 total cpu time spent up to now is 787.2 secs Computing kpt #: 195 total cpu time spent up to now is 790.8 secs Computing kpt #: 196 total cpu time spent up to now is 795.4 secs Computing kpt #: 197 total cpu time spent up to now is 800.3 secs Computing kpt #: 198 total cpu time spent up to now is 805.4 secs Computing kpt #: 199 total cpu time spent up to now is 808.5 secs Computing kpt #: 200 total cpu time spent up to now is 813.4 secs Computing kpt #: 201 total cpu time spent up to now is 818.0 secs Computing kpt #: 202 total cpu time spent up to now is 821.0 secs Computing kpt #: 203 total cpu time spent up to now is 825.7 secs Computing kpt #: 204 total cpu time spent up to now is 828.8 secs Computing kpt #: 205 total cpu time spent up to now is 832.2 secs Computing kpt #: 206 total cpu time spent up to now is 835.6 secs Computing kpt #: 207 total cpu time spent up to now is 838.9 secs Computing kpt #: 208 total cpu time spent up to now is 842.0 secs Computing kpt #: 209 total cpu time spent up to now is 846.0 secs Computing kpt #: 210 total cpu time spent up to now is 850.3 secs Computing kpt #: 211 total cpu time spent up to now is 853.8 secs Computing kpt #: 212 total cpu time spent up to now is 858.3 secs Computing kpt #: 213 total cpu time spent up to now is 861.3 secs Computing kpt #: 214 total cpu time spent up to now is 865.1 secs Computing kpt #: 215 total cpu time spent up to now is 868.7 secs Computing kpt #: 216 total cpu time spent up to now is 871.6 secs Computing kpt #: 217 total cpu time spent up to now is 874.6 secs Computing kpt #: 218 total cpu time spent up to now is 877.8 secs Computing kpt #: 219 total cpu time spent up to now is 881.4 secs Computing kpt #: 220 total cpu time spent up to now is 885.0 secs Computing kpt #: 221 total cpu time spent up to now is 889.0 secs Computing kpt #: 222 total cpu time spent up to now is 892.5 secs Computing kpt #: 223 total cpu time spent up to now is 896.2 secs Computing kpt #: 224 total cpu time spent up to now is 900.3 secs Computing kpt #: 225 total cpu time spent up to now is 903.9 secs Computing kpt #: 226 total cpu time spent up to now is 906.8 secs Computing kpt #: 227 total cpu time spent up to now is 910.3 secs Computing kpt #: 228 total cpu time spent up to now is 914.1 secs Computing kpt #: 229 total cpu time spent up to now is 918.6 secs Computing kpt #: 230 total cpu time spent up to now is 921.5 secs Computing kpt #: 231 total cpu time spent up to now is 927.5 secs Computing kpt #: 232 total cpu time spent up to now is 930.5 secs Computing kpt #: 233 total cpu time spent up to now is 934.5 secs Computing kpt #: 234 total cpu time spent up to now is 938.3 secs Computing kpt #: 235 total cpu time spent up to now is 943.2 secs Computing kpt #: 236 total cpu time spent up to now is 948.1 secs Computing kpt #: 237 total cpu time spent up to now is 954.5 secs Computing kpt #: 238 total cpu time spent up to now is 957.6 secs Computing kpt #: 239 total cpu time spent up to now is 962.4 secs Computing kpt #: 240 total cpu time spent up to now is 971.6 secs Computing kpt #: 241 total cpu time spent up to now is 975.6 secs Computing kpt #: 242 total cpu time spent up to now is 978.6 secs Computing kpt #: 243 total cpu time spent up to now is 982.8 secs Computing kpt #: 244 total cpu time spent up to now is 986.1 secs Computing kpt #: 245 total cpu time spent up to now is 989.6 secs Computing kpt #: 246 total cpu time spent up to now is 992.5 secs Computing kpt #: 247 total cpu time spent up to now is 996.1 secs Computing kpt #: 248 total cpu time spent up to now is 999.2 secs Computing kpt #: 249 total cpu time spent up to now is 1002.7 secs Computing kpt #: 250 total cpu time spent up to now is 1006.1 secs Computing kpt #: 251 total cpu time spent up to now is 1009.0 secs Computing kpt #: 252 total cpu time spent up to now is 1011.9 secs Computing kpt #: 253 total cpu time spent up to now is 1015.3 secs Computing kpt #: 254 total cpu time spent up to now is 1021.0 secs Computing kpt #: 255 total cpu time spent up to now is 1024.1 secs Computing kpt #: 256 total cpu time spent up to now is 1028.8 secs Computing kpt #: 257 total cpu time spent up to now is 1031.7 secs Computing kpt #: 258 total cpu time spent up to now is 1035.0 secs Computing kpt #: 259 total cpu time spent up to now is 1038.8 secs Computing kpt #: 260 total cpu time spent up to now is 1042.9 secs Computing kpt #: 261 total cpu time spent up to now is 1046.3 secs Computing kpt #: 262 total cpu time spent up to now is 1050.3 secs Computing kpt #: 263 total cpu time spent up to now is 1053.2 secs Computing kpt #: 264 total cpu time spent up to now is 1058.4 secs Computing kpt #: 265 total cpu time spent up to now is 1063.1 secs Computing kpt #: 266 total cpu time spent up to now is 1066.3 secs Computing kpt #: 267 total cpu time spent up to now is 1070.0 secs Computing kpt #: 268 total cpu time spent up to now is 1073.0 secs Computing kpt #: 269 total cpu time spent up to now is 1076.5 secs Computing kpt #: 270 total cpu time spent up to now is 1080.0 secs Computing kpt #: 271 total cpu time spent up to now is 1082.9 secs Computing kpt #: 272 total cpu time spent up to now is 1086.4 secs Computing kpt #: 273 total cpu time spent up to now is 1089.4 secs Computing kpt #: 274 total cpu time spent up to now is 1092.3 secs Computing kpt #: 275 total cpu time spent up to now is 1096.0 secs Computing kpt #: 276 total cpu time spent up to now is 1099.2 secs Computing kpt #: 277 total cpu time spent up to now is 1102.1 secs Computing kpt #: 278 total cpu time spent up to now is 1107.1 secs Computing kpt #: 279 total cpu time spent up to now is 1111.9 secs Computing kpt #: 280 total cpu time spent up to now is 1115.9 secs Computing kpt #: 281 total cpu time spent up to now is 1119.7 secs Computing kpt #: 282 total cpu time spent up to now is 1123.1 secs Computing kpt #: 283 total cpu time spent up to now is 1127.0 secs Computing kpt #: 284 total cpu time spent up to now is 1131.3 secs Computing kpt #: 285 total cpu time spent up to now is 1135.9 secs Computing kpt #: 286 total cpu time spent up to now is 1140.8 secs Computing kpt #: 287 total cpu time spent up to now is 1144.3 secs Computing kpt #: 288 total cpu time spent up to now is 1149.1 secs Computing kpt #: 289 total cpu time spent up to now is 1153.1 secs Computing kpt #: 290 total cpu time spent up to now is 1156.7 secs Computing kpt #: 291 total cpu time spent up to now is 1162.5 secs Computing kpt #: 292 total cpu time spent up to now is 1166.1 secs Computing kpt #: 293 total cpu time spent up to now is 1169.5 secs Computing kpt #: 294 total cpu time spent up to now is 1173.6 secs Computing kpt #: 295 total cpu time spent up to now is 1176.7 secs Computing kpt #: 296 total cpu time spent up to now is 1180.9 secs Computing kpt #: 297 total cpu time spent up to now is 1183.9 secs Computing kpt #: 298 total cpu time spent up to now is 1187.8 secs Computing kpt #: 299 total cpu time spent up to now is 1191.8 secs Computing kpt #: 300 total cpu time spent up to now is 1196.3 secs Computing kpt #: 301 total cpu time spent up to now is 1199.6 secs Computing kpt #: 302 total cpu time spent up to now is 1203.6 secs Computing kpt #: 303 total cpu time spent up to now is 1207.8 secs Computing kpt #: 304 total cpu time spent up to now is 1212.6 secs Computing kpt #: 305 total cpu time spent up to now is 1216.6 secs Computing kpt #: 306 total cpu time spent up to now is 1220.6 secs Computing kpt #: 307 total cpu time spent up to now is 1223.6 secs Computing kpt #: 308 total cpu time spent up to now is 1228.9 secs Computing kpt #: 309 total cpu time spent up to now is 1233.2 secs Computing kpt #: 310 total cpu time spent up to now is 1238.4 secs Computing kpt #: 311 total cpu time spent up to now is 1242.9 secs Computing kpt #: 312 total cpu time spent up to now is 1248.9 secs Computing kpt #: 313 total cpu time spent up to now is 1256.5 secs Computing kpt #: 314 total cpu time spent up to now is 1260.9 secs Computing kpt #: 315 total cpu time spent up to now is 1264.2 secs Computing kpt #: 316 total cpu time spent up to now is 1268.0 secs Computing kpt #: 317 total cpu time spent up to now is 1272.0 secs Computing kpt #: 318 total cpu time spent up to now is 1275.7 secs Computing kpt #: 319 total cpu time spent up to now is 1279.6 secs Computing kpt #: 320 total cpu time spent up to now is 1283.1 secs Computing kpt #: 321 total cpu time spent up to now is 1286.7 secs Computing kpt #: 322 total cpu time spent up to now is 1290.3 secs Computing kpt #: 323 total cpu time spent up to now is 1293.3 secs Computing kpt #: 324 total cpu time spent up to now is 1298.2 secs Computing kpt #: 325 total cpu time spent up to now is 1304.2 secs Computing kpt #: 326 total cpu time spent up to now is 1307.4 secs Computing kpt #: 327 total cpu time spent up to now is 1311.0 secs Computing kpt #: 328 total cpu time spent up to now is 1314.9 secs Computing kpt #: 329 total cpu time spent up to now is 1319.5 secs Computing kpt #: 330 total cpu time spent up to now is 1323.7 secs Computing kpt #: 331 total cpu time spent up to now is 1326.6 secs Computing kpt #: 332 total cpu time spent up to now is 1330.7 secs Computing kpt #: 333 total cpu time spent up to now is 1333.6 secs Computing kpt #: 334 total cpu time spent up to now is 1337.7 secs ethr = 1.92E-11, avg # of iterations = 23.3 total cpu time spent up to now is 1338.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10151 PWs) bands (ev): -13.0865 -13.0865 -12.9529 -12.9529 -12.3341 -12.3341 -12.0507 -12.0507 -10.5973 -10.5973 -10.3829 -10.3829 -7.6590 -7.6590 -7.6005 -7.6005 -1.9595 -1.9595 -1.9324 -1.9324 -1.2618 -1.2618 -1.0955 -1.0955 -0.5762 -0.5762 -0.4660 -0.4660 0.2440 0.2440 0.3944 0.3944 0.5824 0.5824 0.6500 0.6500 0.8987 0.8987 0.9931 0.9931 1.1908 1.1908 1.3513 1.3513 1.8485 1.8485 2.0310 2.0310 2.4471 2.4471 2.5751 2.5751 4.3541 4.3541 4.4146 4.4146 4.5637 4.5637 4.7762 4.7762 5.5779 5.5779 k = 0.0084 0.0107-0.0000 ( 10143 PWs) bands (ev): -13.0860 -13.0860 -12.9526 -12.9526 -12.3338 -12.3338 -12.0507 -12.0507 -10.5973 -10.5973 -10.3831 -10.3831 -7.6596 -7.6596 -7.6012 -7.6012 -1.9603 -1.9603 -1.9329 -1.9329 -1.2622 -1.2622 -1.0962 -1.0962 -0.5805 -0.5805 -0.4680 -0.4680 0.2480 0.2480 0.3944 0.3944 0.5797 0.5797 0.6465 0.6465 0.9005 0.9005 0.9946 0.9946 1.1913 1.1913 1.3513 1.3513 1.8494 1.8494 2.0332 2.0332 2.4483 2.4483 2.5754 2.5754 4.3556 4.3556 4.4154 4.4154 4.5653 4.5653 4.7753 4.7753 5.5789 5.5789 k = 0.0169 0.0214-0.0000 ( 10135 PWs) bands (ev): -13.0848 -13.0848 -12.9517 -12.9517 -12.3328 -12.3328 -12.0506 -12.0506 -10.5971 -10.5971 -10.3839 -10.3839 -7.6614 -7.6614 -7.6033 -7.6033 -1.9627 -1.9627 -1.9345 -1.9345 -1.2636 -1.2636 -1.0983 -1.0983 -0.5930 -0.5930 -0.4742 -0.4742 0.2597 0.2597 0.3946 0.3946 0.5718 0.5718 0.6365 0.6365 0.9056 0.9056 0.9990 0.9990 1.1927 1.1927 1.3511 1.3511 1.8520 1.8520 2.0400 2.0400 2.4518 2.4518 2.5763 2.5763 4.3601 4.3601 4.4180 4.4180 4.5701 4.5701 4.7727 4.7727 5.5817 5.5817 k = 0.0253 0.0321-0.0000 ( 10127 PWs) bands (ev): -13.0827 -13.0827 -12.9502 -12.9502 -12.3313 -12.3313 -12.0505 -12.0505 -10.5970 -10.5970 -10.3851 -10.3851 -7.6644 -7.6644 -7.6069 -7.6069 -1.9667 -1.9667 -1.9373 -1.9373 -1.2659 -1.2659 -1.1019 -1.1019 -0.6127 -0.6127 -0.4843 -0.4843 0.2777 0.2777 0.3949 0.3950 0.5592 0.5592 0.6212 0.6212 0.9130 0.9130 1.0058 1.0059 1.1948 1.1949 1.3508 1.3508 1.8566 1.8566 2.0510 2.0510 2.4577 2.4577 2.5779 2.5779 4.3675 4.3675 4.4223 4.4223 4.5782 4.5782 4.7684 4.7684 5.5865 5.5865 k = 0.0337 0.0429-0.0000 ( 10139 PWs) bands (ev): -13.0797 -13.0797 -12.9481 -12.9481 -12.3291 -12.3291 -12.0503 -12.0503 -10.5967 -10.5967 -10.3869 -10.3869 -7.6685 -7.6685 -7.6118 -7.6118 -1.9722 -1.9722 -1.9410 -1.9410 -1.2691 -1.2691 -1.1070 -1.1070 -0.6386 -0.6386 -0.4984 -0.4984 0.2999 0.2999 0.3961 0.3961 0.5427 0.5427 0.6023 0.6023 0.9216 0.9217 1.0146 1.0146 1.1975 1.1976 1.3504 1.3504 1.8631 1.8631 2.0660 2.0660 2.4658 2.4658 2.5799 2.5799 4.3776 4.3776 4.4283 4.4283 4.5892 4.5892 4.7628 4.7628 5.5933 5.5933 k = 0.0422 0.0536-0.0000 ( 10139 PWs) bands (ev): -13.0760 -13.0760 -12.9454 -12.9454 -12.3263 -12.3263 -12.0502 -12.0502 -10.5964 -10.5964 -10.3891 -10.3891 -7.6738 -7.6738 -7.6181 -7.6181 -1.9791 -1.9791 -1.9459 -1.9459 -1.2730 -1.2730 -1.1138 -1.1138 -0.6691 -0.6691 -0.5161 -0.5161 0.3226 0.3227 0.3998 0.3998 0.5228 0.5228 0.5813 0.5814 0.9308 0.9308 1.0244 1.0245 1.2006 1.2007 1.3501 1.3501 1.8718 1.8718 2.0847 2.0847 2.4760 2.4760 2.5823 2.5823 4.3902 4.3902 4.4362 4.4362 4.6032 4.6032 4.7563 4.7563 5.6020 5.6020 k = 0.0506 0.0643-0.0000 ( 10129 PWs) bands (ev): -13.0714 -13.0714 -12.9421 -12.9421 -12.3229 -12.3229 -12.0499 -12.0499 -10.5960 -10.5960 -10.3918 -10.3918 -7.6802 -7.6802 -7.6257 -7.6257 -1.9875 -1.9875 -1.9517 -1.9517 -1.2778 -1.2778 -1.1222 -1.1222 -0.7033 -0.7033 -0.5371 -0.5371 0.3395 0.3395 0.4098 0.4098 0.5005 0.5005 0.5602 0.5603 0.9399 0.9399 1.0348 1.0349 1.2036 1.2037 1.3499 1.3499 1.8826 1.8826 2.1067 2.1067 2.4882 2.4882 2.5850 2.5850 4.4050 4.4050 4.4459 4.4459 4.6199 4.6199 4.7492 4.7492 5.6129 5.6129 k = 0.0591 0.0750-0.0000 ( 10137 PWs) bands (ev): -13.0660 -13.0660 -12.9382 -12.9382 -12.3189 -12.3189 -12.0497 -12.0497 -10.5955 -10.5955 -10.3950 -10.3950 -7.6877 -7.6877 -7.6345 -7.6345 -1.9971 -1.9971 -1.9586 -1.9586 -1.2833 -1.2833 -1.1325 -1.1325 -0.7401 -0.7401 -0.5610 -0.5610 0.3455 0.3456 0.4254 0.4256 0.4795 0.4796 0.5410 0.5411 0.9486 0.9487 1.0453 1.0454 1.2064 1.2065 1.3500 1.3500 1.8956 1.8956 2.1316 2.1316 2.5021 2.5021 2.5878 2.5878 4.4216 4.4216 4.4576 4.4576 4.6389 4.6389 4.7422 4.7422 5.6260 5.6260 k = 0.0675 0.0857-0.0000 ( 10137 PWs) bands (ev): -13.0599 -13.0599 -12.9338 -12.9338 -12.3143 -12.3143 -12.0495 -12.0495 -10.5949 -10.5949 -10.3986 -10.3986 -7.6963 -7.6963 -7.6445 -7.6445 -2.0080 -2.0080 -1.9665 -1.9665 -1.2894 -1.2894 -1.1446 -1.1446 -0.7786 -0.7786 -0.5873 -0.5873 0.3426 0.3427 0.4242 0.4244 0.4771 0.4773 0.5268 0.5270 0.9565 0.9566 1.0555 1.0556 1.2088 1.2089 1.3504 1.3504 1.9107 1.9107 2.1589 2.1589 2.5176 2.5176 2.5906 2.5906 4.4398 4.4398 4.4712 4.4712 4.6598 4.6598 4.7361 4.7361 5.6413 5.6413 k = 0.0759 0.0964-0.0000 ( 10145 PWs) bands (ev): -13.0530 -13.0530 -12.9289 -12.9289 -12.3092 -12.3092 -12.0492 -12.0492 -10.5943 -10.5943 -10.4025 -10.4025 -7.7058 -7.7058 -7.6557 -7.6557 -2.0199 -2.0199 -1.9753 -1.9753 -1.2962 -1.2962 -1.1587 -1.1587 -0.8183 -0.8183 -0.6156 -0.6156 0.3339 0.3341 0.3991 0.3992 0.4859 0.4859 0.5293 0.5293 0.9632 0.9633 1.0653 1.0654 1.2107 1.2109 1.3515 1.3515 1.9277 1.9277 2.1884 2.1884 2.5343 2.5343 2.5933 2.5933 4.4592 4.4592 4.4867 4.4867 4.6815 4.6815 4.7321 4.7321 5.6590 5.6590 k = 0.0844 0.1072-0.0000 ( 10133 PWs) bands (ev): -13.0453 -13.0453 -12.9235 -12.9235 -12.3035 -12.3035 -12.0490 -12.0490 -10.5935 -10.5935 -10.4069 -10.4069 -7.7163 -7.7163 -7.6679 -7.6679 -2.0328 -2.0328 -1.9851 -1.9851 -1.3036 -1.3036 -1.1748 -1.1748 -0.8586 -0.8586 -0.6455 -0.6455 0.3200 0.3202 0.3695 0.3695 0.4800 0.4800 0.5539 0.5539 0.9681 0.9682 1.0746 1.0747 1.2125 1.2126 1.3534 1.3534 1.9464 1.9464 2.2196 2.2196 2.5517 2.5517 2.5960 2.5960 4.4796 4.4796 4.5041 4.5041 4.7002 4.7002 4.7343 4.7344 5.6791 5.6791 k = 0.0928 0.1179-0.0000 ( 10117 PWs) bands (ev): -13.0370 -13.0370 -12.9176 -12.9176 -12.2973 -12.2973 -12.0488 -12.0488 -10.5927 -10.5927 -10.4115 -10.4115 -7.7277 -7.7277 -7.6811 -7.6811 -2.0465 -2.0465 -1.9959 -1.9959 -1.3116 -1.3116 -1.1927 -1.1927 -0.8992 -0.8992 -0.6767 -0.6767 0.2986 0.2987 0.3432 0.3432 0.4702 0.4703 0.5842 0.5842 0.9706 0.9707 1.0834 1.0834 1.2145 1.2146 1.3564 1.3564 1.9665 1.9665 2.2521 2.2521 2.5687 2.5688 2.5992 2.5992 4.5007 4.5007 4.5234 4.5234 4.7089 4.7089 4.7501 4.7501 5.7017 5.7017 k = 0.1012 0.1286-0.0000 ( 10125 PWs) bands (ev): -13.0279 -13.0279 -12.9113 -12.9113 -12.2906 -12.2906 -12.0486 -12.0486 -10.5917 -10.5917 -10.4165 -10.4165 -7.7399 -7.7399 -7.6951 -7.6951 -2.0609 -2.0609 -2.0075 -2.0075 -1.3203 -1.3203 -1.2124 -1.2124 -0.9397 -0.9397 -0.7087 -0.7087 0.2686 0.2687 0.3232 0.3232 0.4611 0.4612 0.6137 0.6137 0.9702 0.9703 1.0915 1.0916 1.2172 1.2173 1.3608 1.3608 1.9875 1.9875 2.2855 2.2855 2.5824 2.5824 2.6054 2.6054 4.5223 4.5223 4.5444 4.5444 4.7117 4.7117 4.7753 4.7753 5.7267 5.7267 k = 0.1097 0.1393-0.0000 ( 10121 PWs) bands (ev): -13.0182 -13.0182 -12.9045 -12.9045 -12.2835 -12.2835 -12.0485 -12.0485 -10.5906 -10.5906 -10.4217 -10.4217 -7.7529 -7.7528 -7.7100 -7.7100 -2.0758 -2.0758 -2.0201 -2.0201 -1.3296 -1.3296 -1.2338 -1.2337 -0.9798 -0.9798 -0.7413 -0.7413 0.2337 0.2338 0.3069 0.3070 0.4535 0.4536 0.6404 0.6404 0.9663 0.9664 1.0991 1.0991 1.2210 1.2211 1.3670 1.3670 2.0093 2.0093 2.3193 2.3194 2.5885 2.5885 2.6184 2.6184 4.5441 4.5441 4.5672 4.5672 4.7148 4.7148 4.8040 4.8040 5.7542 5.7542 k = 0.1181 0.1500-0.0000 ( 10121 PWs) bands (ev): -13.0079 -13.0079 -12.8974 -12.8974 -12.2759 -12.2759 -12.0484 -12.0484 -10.5894 -10.5894 -10.4271 -10.4271 -7.7665 -7.7665 -7.7256 -7.7256 -2.0911 -2.0911 -2.0336 -2.0336 -1.3397 -1.3397 -1.2565 -1.2565 -1.0194 -1.0194 -0.7743 -0.7743 0.1973 0.1973 0.2918 0.2919 0.4476 0.4477 0.6629 0.6629 0.9587 0.9588 1.1058 1.1059 1.2263 1.2264 1.3754 1.3755 2.0314 2.0314 2.3533 2.3533 2.5894 2.5894 2.6353 2.6353 4.5655 4.5655 4.5920 4.5920 4.7201 4.7201 4.8343 4.8344 5.7839 5.7839 k = 0.1265 0.1607-0.0000 ( 10123 PWs) bands (ev): -12.9970 -12.9970 -12.8899 -12.8899 -12.2678 -12.2678 -12.0483 -12.0483 -10.5881 -10.5881 -10.4328 -10.4328 -7.7809 -7.7809 -7.7418 -7.7418 -2.1067 -2.1067 -2.0479 -2.0479 -1.3508 -1.3508 -1.2802 -1.2802 -1.0583 -1.0583 -0.8073 -0.8073 0.1609 0.1609 0.2769 0.2770 0.4435 0.4436 0.6805 0.6805 0.9476 0.9476 1.1117 1.1118 1.2331 1.2332 1.3863 1.3864 2.0536 2.0536 2.3867 2.3867 2.5880 2.5881 2.6527 2.6527 4.5866 4.5866 4.6185 4.6185 4.7282 4.7283 4.8658 4.8658 5.8158 5.8158 k = 0.1350 0.1715-0.0000 ( 10123 PWs) bands (ev): -12.9855 -12.9855 -12.8821 -12.8821 -12.2594 -12.2594 -12.0484 -12.0484 -10.5866 -10.5866 -10.4385 -10.4385 -7.7958 -7.7958 -7.7586 -7.7586 -2.1225 -2.1225 -2.0631 -2.0631 -1.3634 -1.3634 -1.3044 -1.3044 -1.0963 -1.0963 -0.8402 -0.8402 0.1255 0.1255 0.2617 0.2618 0.4413 0.4414 0.6928 0.6928 0.9331 0.9331 1.1165 1.1165 1.2413 1.2414 1.4000 1.4000 2.0757 2.0757 2.4190 2.4190 2.5854 2.5854 2.6694 2.6694 4.6073 4.6073 4.6467 4.6467 4.7395 4.7395 4.8980 4.8980 5.8497 5.8497 k = 0.1434 0.1822-0.0000 ( 10131 PWs) bands (ev): -12.9736 -12.9736 -12.8740 -12.8740 -12.2506 -12.2506 -12.0485 -12.0485 -10.5850 -10.5850 -10.4444 -10.4444 -7.8111 -7.8111 -7.7758 -7.7758 -2.1383 -2.1383 -2.0791 -2.0791 -1.3779 -1.3779 -1.3283 -1.3283 -1.1333 -1.1333 -0.8728 -0.8728 0.0916 0.0916 0.2462 0.2463 0.4407 0.4408 0.6994 0.6994 0.9158 0.9159 1.1198 1.1198 1.2507 1.2507 1.4163 1.4163 2.0975 2.0975 2.4495 2.4496 2.5819 2.5820 2.6846 2.6846 4.6277 4.6277 4.6760 4.6760 4.7540 4.7540 4.9306 4.9307 5.8853 5.8853 k = 0.1518 0.1929-0.0000 ( 10127 PWs) bands (ev): -12.9611 -12.9611 -12.8656 -12.8656 -12.2415 -12.2415 -12.0488 -12.0488 -10.5832 -10.5832 -10.4503 -10.4503 -7.8269 -7.8269 -7.7934 -7.7934 -2.1541 -2.1541 -2.0959 -2.0959 -1.3953 -1.3953 -1.3508 -1.3508 -1.1692 -1.1692 -0.9050 -0.9050 0.0599 0.0599 0.2306 0.2306 0.4415 0.4416 0.7003 0.7003 0.8964 0.8964 1.1214 1.1214 1.2611 1.2611 1.4353 1.4353 2.1190 2.1190 2.4773 2.4773 2.5784 2.5784 2.6978 2.6978 4.6482 4.6482 4.7062 4.7062 4.7717 4.7718 4.9637 4.9637 5.9223 5.9223 k = 0.1603 0.2036-0.0000 ( 10139 PWs) bands (ev): -12.9482 -12.9482 -12.8571 -12.8571 -12.2321 -12.2321 -12.0491 -12.0491 -10.5812 -10.5812 -10.4562 -10.4562 -7.8431 -7.8431 -7.8113 -7.8113 -2.1698 -2.1698 -2.1134 -2.1134 -1.4163 -1.4163 -1.3711 -1.3711 -1.2039 -1.2039 -0.9366 -0.9366 0.0307 0.0307 0.2149 0.2150 0.4433 0.4434 0.6957 0.6957 0.8753 0.8753 1.1212 1.1212 1.2721 1.2722 1.4566 1.4567 2.1402 2.1402 2.5006 2.5007 2.5759 2.5760 2.7084 2.7085 4.6688 4.6689 4.7366 4.7366 4.7927 4.7927 4.9970 4.9970 5.9605 5.9605 k = 0.1687 0.2143-0.0000 ( 10147 PWs) bands (ev): -12.9350 -12.9350 -12.8484 -12.8484 -12.2224 -12.2224 -12.0496 -12.0496 -10.5791 -10.5791 -10.4621 -10.4621 -7.8595 -7.8595 -7.8293 -7.8293 -2.1852 -2.1852 -2.1317 -2.1317 -1.4403 -1.4402 -1.3895 -1.3895 -1.2372 -1.2372 -0.9677 -0.9677 0.0042 0.0042 0.1995 0.1995 0.4456 0.4456 0.6859 0.6859 0.8531 0.8531 1.1190 1.1190 1.2837 1.2837 1.4798 1.4798 2.1609 2.1609 2.5168 2.5169 2.5770 2.5771 2.7162 2.7162 4.6901 4.6901 4.7669 4.7669 4.8165 4.8165 5.0304 5.0304 5.9995 5.9995 k = 0.1772 0.2250-0.0000 ( 10155 PWs) bands (ev): -12.9213 -12.9213 -12.8395 -12.8395 -12.2125 -12.2125 -12.0502 -12.0502 -10.5767 -10.5767 -10.4678 -10.4678 -7.8761 -7.8761 -7.8475 -7.8475 -2.2005 -2.2005 -2.1506 -2.1506 -1.4661 -1.4661 -1.4069 -1.4069 -1.2690 -1.2690 -0.9981 -0.9981 -0.0191 -0.0191 0.1846 0.1847 0.4478 0.4479 0.6715 0.6715 0.8302 0.8302 1.1150 1.1150 1.2955 1.2956 1.5043 1.5043 2.1812 2.1812 2.5234 2.5234 2.5838 2.5839 2.7207 2.7208 4.7121 4.7122 4.7968 4.7968 4.8430 4.8430 5.0638 5.0639 6.0388 6.0389 k = 0.1856 0.2358-0.0000 ( 10159 PWs) bands (ev): -12.9074 -12.9074 -12.8306 -12.8306 -12.2024 -12.2024 -12.0510 -12.0510 -10.5742 -10.5742 -10.4735 -10.4735 -7.8929 -7.8929 -7.8657 -7.8657 -2.2156 -2.2156 -2.1700 -2.1700 -1.4929 -1.4929 -1.4243 -1.4243 -1.2991 -1.2991 -1.0279 -1.0279 -0.0391 -0.0391 0.1706 0.1706 0.4494 0.4495 0.6532 0.6532 0.8068 0.8068 1.1092 1.1092 1.3075 1.3075 1.5296 1.5296 2.2011 2.2011 2.5219 2.5220 2.5944 2.5944 2.7217 2.7217 4.7353 4.7353 4.8260 4.8260 4.8714 4.8714 5.0972 5.0972 6.0782 6.0782 k = 0.1940 0.2465-0.0000 ( 10155 PWs) bands (ev): -12.8933 -12.8933 -12.8217 -12.8217 -12.1921 -12.1921 -12.0519 -12.0519 -10.5714 -10.5714 -10.4790 -10.4790 -7.9097 -7.9097 -7.8838 -7.8838 -2.2304 -2.2304 -2.1900 -2.1900 -1.5198 -1.5198 -1.4421 -1.4421 -1.3275 -1.3275 -1.0569 -1.0569 -0.0557 -0.0557 0.1576 0.1577 0.4498 0.4498 0.6317 0.6317 0.7831 0.7831 1.1017 1.1017 1.3195 1.3195 1.5551 1.5551 2.2206 2.2206 2.5163 2.5164 2.6047 2.6047 2.7188 2.7188 4.7598 4.7598 4.8545 4.8546 4.9011 4.9011 5.1302 5.1302 6.1170 6.1170 k = 0.2025 0.2572-0.0000 ( 10141 PWs) bands (ev): -12.8789 -12.8789 -12.8127 -12.8127 -12.1817 -12.1817 -12.0529 -12.0529 -10.5684 -10.5684 -10.4842 -10.4842 -7.9264 -7.9264 -7.9019 -7.9019 -2.2449 -2.2449 -2.2104 -2.2104 -1.5465 -1.5465 -1.4605 -1.4605 -1.3540 -1.3540 -1.0853 -1.0853 -0.0688 -0.0688 0.1460 0.1460 0.4482 0.4482 0.6079 0.6079 0.7594 0.7594 1.0926 1.0926 1.3315 1.3315 1.5804 1.5804 2.2396 2.2396 2.5088 2.5088 2.6123 2.6124 2.7120 2.7120 4.7857 4.7858 4.8824 4.8824 4.9313 4.9313 5.1629 5.1629 6.1546 6.1547 k = 0.2109 0.2679-0.0000 ( 10149 PWs) bands (ev): -12.8644 -12.8644 -12.8038 -12.8038 -12.1712 -12.1712 -12.0541 -12.0541 -10.5652 -10.5652 -10.4893 -10.4893 -7.9431 -7.9431 -7.9197 -7.9197 -2.2593 -2.2593 -2.2312 -2.2312 -1.5725 -1.5725 -1.4797 -1.4797 -1.3785 -1.3785 -1.1131 -1.1131 -0.0783 -0.0783 0.1360 0.1360 0.4439 0.4439 0.5827 0.5827 0.7359 0.7359 1.0819 1.0819 1.3433 1.3433 1.6050 1.6050 2.2581 2.2581 2.5003 2.5003 2.6162 2.6163 2.7011 2.7011 4.8132 4.8132 4.9094 4.9095 4.9614 4.9614 5.1950 5.1950 6.1909 6.1909 k = 0.2193 0.2786-0.0000 ( 10149 PWs) bands (ev): -12.8498 -12.8498 -12.7949 -12.7949 -12.1606 -12.1606 -12.0555 -12.0555 -10.5618 -10.5618 -10.4940 -10.4940 -7.9597 -7.9597 -7.9374 -7.9374 -2.2736 -2.2736 -2.2521 -2.2521 -1.5976 -1.5976 -1.4997 -1.4997 -1.4010 -1.4010 -1.1403 -1.1403 -0.0844 -0.0844 0.1278 0.1278 0.4361 0.4361 0.5570 0.5570 0.7129 0.7129 1.0698 1.0698 1.3551 1.3551 1.6285 1.6285 2.2759 2.2759 2.4912 2.4912 2.6160 2.6160 2.6863 2.6863 4.8421 4.8421 4.9355 4.9356 4.9910 4.9910 5.2262 5.2262 6.2260 6.2260 k = 0.2278 0.2893-0.0000 ( 10155 PWs) bands (ev): -12.8351 -12.8351 -12.7862 -12.7862 -12.1501 -12.1501 -12.0570 -12.0570 -10.5580 -10.5580 -10.4984 -10.4984 -7.9760 -7.9760 -7.9548 -7.9548 -2.2878 -2.2878 -2.2732 -2.2732 -1.6217 -1.6217 -1.5202 -1.5202 -1.4214 -1.4214 -1.1670 -1.1669 -0.0871 -0.0871 0.1216 0.1216 0.4242 0.4242 0.5314 0.5314 0.6907 0.6907 1.0563 1.0564 1.3667 1.3667 1.6506 1.6506 2.2928 2.2929 2.4819 2.4819 2.6113 2.6113 2.6676 2.6676 4.8723 4.8724 4.9605 4.9605 5.0197 5.0197 5.2564 5.2564 6.2604 6.2604 k = 0.2362 0.3001-0.0000 ( 10157 PWs) bands (ev): -12.8205 -12.8205 -12.7776 -12.7776 -12.1395 -12.1395 -12.0587 -12.0587 -10.5541 -10.5541 -10.5025 -10.5025 -7.9921 -7.9921 -7.9718 -7.9718 -2.3020 -2.3020 -2.2943 -2.2943 -1.6446 -1.6445 -1.5412 -1.5412 -1.4396 -1.4395 -1.1931 -1.1931 -0.0867 -0.0867 0.1175 0.1175 0.4079 0.4079 0.5063 0.5063 0.6699 0.6699 1.0416 1.0416 1.3782 1.3782 1.6710 1.6711 2.3086 2.3086 2.4722 2.4722 2.6021 2.6021 2.6455 2.6455 4.9036 4.9036 4.9842 4.9843 5.0474 5.0474 5.2851 5.2851 6.2944 6.2944 k = 0.2446 0.3108-0.0000 ( 10161 PWs) bands (ev): -12.8059 -12.8059 -12.7692 -12.7692 -12.1290 -12.1290 -12.0606 -12.0606 -10.5498 -10.5498 -10.5061 -10.5061 -8.0078 -8.0078 -7.9885 -7.9885 -2.3172 -2.3172 -2.3144 -2.3144 -1.6660 -1.6660 -1.5625 -1.5625 -1.4556 -1.4555 -1.2189 -1.2189 -0.0834 -0.0834 0.1158 0.1158 0.3876 0.3876 0.4815 0.4815 0.6505 0.6505 1.0256 1.0256 1.3896 1.3896 1.6896 1.6896 2.3227 2.3227 2.4623 2.4624 2.5883 2.5883 2.6206 2.6207 4.9356 4.9356 5.0067 5.0067 5.0738 5.0738 5.3121 5.3121 6.3280 6.3280 k = 0.2531 0.3215-0.0000 ( 10159 PWs) bands (ev): -12.7913 -12.7913 -12.7611 -12.7611 -12.1186 -12.1186 -12.0626 -12.0626 -10.5453 -10.5453 -10.5094 -10.5094 -8.0232 -8.0232 -8.0047 -8.0047 -2.3369 -2.3369 -2.3299 -2.3299 -1.6860 -1.6860 -1.5840 -1.5839 -1.4693 -1.4693 -1.2442 -1.2442 -0.0777 -0.0777 0.1164 0.1164 0.3641 0.3641 0.4567 0.4567 0.6329 0.6329 1.0084 1.0084 1.4009 1.4009 1.7059 1.7059 2.3345 2.3345 2.4521 2.4521 2.5696 2.5697 2.5944 2.5944 4.9677 4.9678 5.0280 5.0280 5.0990 5.0990 5.3371 5.3371 6.3613 6.3613 k = 0.2615 0.3322-0.0000 ( 10151 PWs) bands (ev): -12.7770 -12.7770 -12.7531 -12.7531 -12.1083 -12.1083 -12.0648 -12.0648 -10.5406 -10.5406 -10.5123 -10.5123 -8.0381 -8.0381 -8.0205 -8.0205 -2.3574 -2.3574 -2.3445 -2.3445 -1.7045 -1.7045 -1.6054 -1.6053 -1.4807 -1.4807 -1.2692 -1.2692 -0.0700 -0.0700 0.1195 0.1195 0.3386 0.3386 0.4315 0.4315 0.6167 0.6167 0.9901 0.9901 1.4123 1.4123 1.7199 1.7200 2.3431 2.3431 2.4412 2.4413 2.5455 2.5455 2.5687 2.5687 4.9994 4.9994 5.0483 5.0483 5.1229 5.1229 5.3596 5.3596 6.3942 6.3942 k = 0.2700 0.3429-0.0000 ( 10159 PWs) bands (ev): -12.7628 -12.7628 -12.7455 -12.7455 -12.0982 -12.0982 -12.0671 -12.0671 -10.5355 -10.5355 -10.5147 -10.5147 -8.0526 -8.0526 -8.0358 -8.0358 -2.3777 -2.3777 -2.3592 -2.3592 -1.7213 -1.7213 -1.6266 -1.6266 -1.4899 -1.4898 -1.2939 -1.2939 -0.0609 -0.0609 0.1252 0.1252 0.3122 0.3122 0.4059 0.4059 0.6018 0.6019 0.9708 0.9708 1.4236 1.4236 1.7315 1.7315 2.3468 2.3469 2.4296 2.4297 2.5169 2.5170 2.5446 2.5447 5.0296 5.0296 5.0683 5.0683 5.1456 5.1456 5.3792 5.3793 6.4267 6.4267 k = 0.2784 0.3536-0.0000 ( 10151 PWs) bands (ev): -12.7488 -12.7488 -12.7381 -12.7381 -12.0882 -12.0882 -12.0696 -12.0696 -10.5303 -10.5303 -10.5167 -10.5167 -8.0666 -8.0666 -8.0506 -8.0506 -2.3975 -2.3975 -2.3742 -2.3742 -1.7365 -1.7365 -1.6475 -1.6474 -1.4966 -1.4966 -1.3182 -1.3182 -0.0512 -0.0512 0.1335 0.1335 0.2859 0.2860 0.3800 0.3801 0.5879 0.5879 0.9505 0.9505 1.4350 1.4350 1.7404 1.7404 2.3433 2.3434 2.4169 2.4170 2.4873 2.4873 2.5220 2.5220 5.0568 5.0568 5.0890 5.0891 5.1675 5.1675 5.3958 5.3958 6.4588 6.4588 k = 0.2868 0.3644-0.0000 ( 10147 PWs) bands (ev): -12.7352 -12.7352 -12.7311 -12.7311 -12.0785 -12.0785 -12.0721 -12.0721 -10.5248 -10.5248 -10.5183 -10.5183 -8.0801 -8.0801 -8.0649 -8.0649 -2.4168 -2.4168 -2.3894 -2.3894 -1.7501 -1.7501 -1.6678 -1.6678 -1.5011 -1.5011 -1.3422 -1.3422 -0.0416 -0.0416 0.1442 0.1442 0.2607 0.2607 0.3546 0.3547 0.5745 0.5745 0.9293 0.9293 1.4465 1.4465 1.7466 1.7466 2.3298 2.3299 2.4024 2.4025 2.4598 2.4598 2.5015 2.5015 5.0795 5.0796 5.1117 5.1118 5.1887 5.1887 5.4089 5.4089 6.4904 6.4904 k = 0.2953 0.3751-0.0000 ( 10143 PWs) bands (ev): -12.7244 -12.7244 -12.7217 -12.7217 -12.0748 -12.0748 -12.0689 -12.0689 -10.5200 -10.5200 -10.5185 -10.5185 -8.0930 -8.0930 -8.0786 -8.0786 -2.4354 -2.4354 -2.4048 -2.4048 -1.7621 -1.7621 -1.6876 -1.6876 -1.5033 -1.5033 -1.3659 -1.3659 -0.0332 -0.0332 0.1569 0.1570 0.2374 0.2375 0.3304 0.3304 0.5615 0.5615 0.9072 0.9072 1.4581 1.4581 1.7499 1.7499 2.3053 2.3053 2.3840 2.3841 2.4368 2.4368 2.4844 2.4845 5.0981 5.0981 5.1358 5.1358 5.2096 5.2096 5.4183 5.4183 6.5214 6.5214 k = 0.3037 0.3858-0.0000 ( 10147 PWs) bands (ev): -12.7181 -12.7181 -12.7088 -12.7088 -12.0776 -12.0776 -12.0597 -12.0597 -10.5203 -10.5203 -10.5130 -10.5130 -8.1053 -8.1053 -8.0917 -8.0917 -2.4533 -2.4533 -2.4205 -2.4205 -1.7724 -1.7724 -1.7065 -1.7065 -1.5035 -1.5034 -1.3892 -1.3892 -0.0271 -0.0271 0.1699 0.1700 0.2183 0.2184 0.3084 0.3085 0.5487 0.5487 0.8844 0.8844 1.4698 1.4698 1.7502 1.7502 2.2715 2.2715 2.3600 2.3601 2.4184 2.4184 2.4711 2.4712 5.1139 5.1139 5.1596 5.1597 5.2304 5.2304 5.4239 5.4239 6.5518 6.5518 k = 0.3121 0.3965-0.0000 ( 10163 PWs) bands (ev): -12.7121 -12.7121 -12.6961 -12.6961 -12.0804 -12.0804 -12.0507 -12.0507 -10.5206 -10.5206 -10.5069 -10.5069 -8.1170 -8.1170 -8.1043 -8.1043 -2.4705 -2.4705 -2.4363 -2.4363 -1.7814 -1.7814 -1.7245 -1.7245 -1.5017 -1.5016 -1.4121 -1.4121 -0.0243 -0.0243 0.1752 0.1754 0.2109 0.2110 0.2902 0.2902 0.5360 0.5360 0.8609 0.8610 1.4816 1.4816 1.7475 1.7475 2.2316 2.2316 2.3310 2.3311 2.4027 2.4027 2.4605 2.4605 5.1281 5.1281 5.1820 5.1820 5.2513 5.2513 5.4254 5.4254 6.5813 6.5813 k = 0.3206 0.4072-0.0000 ( 10177 PWs) bands (ev): -12.7064 -12.7064 -12.6839 -12.6839 -12.0834 -12.0834 -12.0420 -12.0420 -10.5205 -10.5205 -10.5006 -10.5006 -8.1282 -8.1282 -8.1163 -8.1163 -2.4868 -2.4868 -2.4523 -2.4523 -1.7891 -1.7891 -1.7412 -1.7412 -1.4982 -1.4981 -1.4345 -1.4345 -0.0256 -0.0256 0.1653 0.1654 0.2215 0.2215 0.2779 0.2780 0.5235 0.5235 0.8369 0.8370 1.4935 1.4935 1.7416 1.7416 2.1881 2.1881 2.2988 2.2988 2.3880 2.3881 2.4507 2.4508 5.1413 5.1413 5.2022 5.2023 5.2725 5.2725 5.4231 5.4231 6.6101 6.6101 k = 0.3290 0.4179-0.0000 ( 10179 PWs) bands (ev): -12.7011 -12.7011 -12.6722 -12.6722 -12.0863 -12.0863 -12.0336 -12.0336 -10.5201 -10.5201 -10.4942 -10.4942 -8.1387 -8.1387 -8.1277 -8.1277 -2.5023 -2.5023 -2.4683 -2.4683 -1.7959 -1.7959 -1.7563 -1.7562 -1.4934 -1.4934 -1.4561 -1.4561 -0.0312 -0.0311 0.1506 0.1507 0.2352 0.2353 0.2759 0.2759 0.5113 0.5113 0.8125 0.8125 1.5055 1.5055 1.7325 1.7325 2.1427 2.1427 2.2646 2.2646 2.3736 2.3737 2.4405 2.4406 5.1538 5.1538 5.2200 5.2200 5.2938 5.2938 5.4172 5.4172 6.6378 6.6378 k = 0.3374 0.4286-0.0000 ( 10195 PWs) bands (ev): -12.6962 -12.6962 -12.6609 -12.6609 -12.0893 -12.0893 -12.0256 -12.0256 -10.5193 -10.5193 -10.4877 -10.4877 -8.1486 -8.1486 -8.1385 -8.1385 -2.5168 -2.5168 -2.4842 -2.4842 -1.8026 -1.8026 -1.7690 -1.7690 -1.4893 -1.4893 -1.4751 -1.4751 -0.0405 -0.0405 0.1355 0.1355 0.2428 0.2429 0.2884 0.2884 0.4996 0.4997 0.7878 0.7878 1.5174 1.5174 1.7202 1.7202 2.0966 2.0967 2.2294 2.2294 2.3592 2.3592 2.4290 2.4291 5.1657 5.1658 5.2347 5.2347 5.3153 5.3153 5.4084 5.4084 6.6643 6.6643 k = 0.3459 0.4394-0.0000 ( 10199 PWs) bands (ev): -12.6917 -12.6917 -12.6501 -12.6501 -12.0924 -12.0924 -12.0180 -12.0180 -10.5182 -10.5182 -10.4811 -10.4811 -8.1578 -8.1578 -8.1488 -8.1488 -2.5305 -2.5304 -2.5001 -2.5001 -1.8101 -1.8101 -1.7784 -1.7784 -1.5011 -1.5010 -1.4766 -1.4766 -0.0528 -0.0528 0.1207 0.1207 0.2475 0.2476 0.3100 0.3100 0.4890 0.4891 0.7630 0.7630 1.5289 1.5289 1.7046 1.7046 2.0509 2.0509 2.1939 2.1940 2.3447 2.3447 2.4157 2.4158 5.1772 5.1772 5.2458 5.2459 5.3357 5.3357 5.3988 5.3988 6.6890 6.6890 k = 0.3543 0.4501-0.0000 ( 10191 PWs) bands (ev): -12.6875 -12.6875 -12.6399 -12.6399 -12.0954 -12.0954 -12.0107 -12.0107 -10.5168 -10.5168 -10.4745 -10.4745 -8.1665 -8.1665 -8.1584 -8.1584 -2.5432 -2.5431 -2.5157 -2.5157 -1.8190 -1.8189 -1.7841 -1.7841 -1.5203 -1.5203 -1.4692 -1.4692 -0.0670 -0.0670 0.1068 0.1068 0.2532 0.2533 0.3342 0.3342 0.4802 0.4802 0.7382 0.7382 1.5398 1.5398 1.6858 1.6858 2.0062 2.0062 2.1587 2.1587 2.3302 2.3302 2.4006 2.4006 5.1882 5.1882 5.2526 5.2526 5.3491 5.3491 5.3956 5.3956 6.7112 6.7112 k = 0.3627 0.4608-0.0000 ( 10194 PWs) bands (ev): -12.6837 -12.6837 -12.6301 -12.6301 -12.0983 -12.0983 -12.0038 -12.0038 -10.5152 -10.5152 -10.4678 -10.4678 -8.1745 -8.1745 -8.1675 -8.1675 -2.5549 -2.5549 -2.5310 -2.5309 -1.8288 -1.8287 -1.7865 -1.7865 -1.5394 -1.5394 -1.4606 -1.4606 -0.0821 -0.0821 0.0944 0.0944 0.2604 0.2604 0.3576 0.3576 0.4744 0.4745 0.7137 0.7138 1.5494 1.5494 1.6640 1.6641 1.9635 1.9635 2.1241 2.1241 2.3158 2.3159 2.3836 2.3837 5.1986 5.1986 5.2538 5.2539 5.3461 5.3461 5.4096 5.4096 6.7308 6.7308 k = 0.3712 0.4715-0.0000 ( 10166 PWs) bands (ev): -12.6801 -12.6801 -12.6209 -12.6209 -12.1012 -12.1012 -11.9972 -11.9972 -10.5134 -10.5134 -10.4613 -10.4613 -8.1820 -8.1820 -8.1759 -8.1759 -2.5658 -2.5658 -2.5458 -2.5458 -1.8387 -1.8386 -1.7868 -1.7867 -1.5578 -1.5577 -1.4517 -1.4517 -0.0976 -0.0976 0.0840 0.0840 0.2683 0.2683 0.3773 0.3773 0.4741 0.4742 0.6899 0.6900 1.5569 1.5569 1.6399 1.6399 1.9236 1.9236 2.0906 2.0906 2.3017 2.3017 2.3651 2.3652 5.2077 5.2078 5.2486 5.2487 5.3354 5.3354 5.4345 5.4345 6.7484 6.7484 k = 0.3796 0.4822-0.0000 ( 10182 PWs) bands (ev): -12.6770 -12.6770 -12.6123 -12.6123 -12.1041 -12.1041 -11.9911 -11.9911 -10.5114 -10.5114 -10.4549 -10.4549 -8.1888 -8.1888 -8.1838 -8.1838 -2.5759 -2.5759 -2.5600 -2.5600 -1.8481 -1.8481 -1.7854 -1.7854 -1.5752 -1.5752 -1.4427 -1.4427 -0.1129 -0.1129 0.0759 0.0759 0.2761 0.2761 0.3901 0.3901 0.4816 0.4817 0.6672 0.6673 1.5603 1.5603 1.6144 1.6144 1.8876 1.8876 2.0585 2.0585 2.2879 2.2879 2.3454 2.3455 5.2131 5.2132 5.2381 5.2382 5.3256 5.3256 5.4633 5.4633 6.7646 6.7646 k = 0.3881 0.4929-0.0000 ( 10182 PWs) bands (ev): -12.6741 -12.6741 -12.6043 -12.6043 -12.1068 -12.1068 -11.9854 -11.9854 -10.5093 -10.5093 -10.4486 -10.4486 -8.1951 -8.1951 -8.1912 -8.1911 -2.5852 -2.5852 -2.5734 -2.5734 -1.8569 -1.8569 -1.7831 -1.7831 -1.5917 -1.5917 -1.4340 -1.4340 -0.1276 -0.1276 0.0702 0.0702 0.2830 0.2831 0.3961 0.3961 0.4965 0.4965 0.6464 0.6464 1.5553 1.5553 1.5911 1.5911 1.8569 1.8569 2.0281 2.0281 2.2745 2.2745 2.3250 2.3251 5.2041 5.2041 5.2332 5.2332 5.3190 5.3190 5.4940 5.4940 6.7794 6.7794 k = 0.3965 0.5037-0.0000 ( 10166 PWs) bands (ev): -12.6715 -12.6715 -12.5968 -12.5968 -12.1095 -12.1095 -11.9801 -11.9801 -10.5072 -10.5072 -10.4425 -10.4425 -8.2009 -8.2009 -8.1979 -8.1979 -2.5943 -2.5943 -2.5855 -2.5855 -1.8649 -1.8648 -1.7799 -1.7799 -1.6070 -1.6070 -1.4257 -1.4257 -0.1416 -0.1415 0.0671 0.0671 0.2885 0.2886 0.3983 0.3984 0.5143 0.5143 0.6289 0.6289 1.5358 1.5358 1.5749 1.5750 1.8329 1.8330 1.9996 1.9997 2.2613 2.2613 2.3046 2.3046 5.1802 5.1802 5.2354 5.2354 5.3159 5.3159 5.5257 5.5257 6.7930 6.7930 k = 0.4049 0.5144-0.0000 ( 10170 PWs) bands (ev): -12.6692 -12.6692 -12.5899 -12.5899 -12.1120 -12.1120 -11.9752 -11.9752 -10.5050 -10.5050 -10.4366 -10.4366 -8.2061 -8.2061 -8.2041 -8.2041 -2.6040 -2.6040 -2.5955 -2.5955 -1.8720 -1.8720 -1.7764 -1.7764 -1.6211 -1.6211 -1.4181 -1.4180 -0.1546 -0.1546 0.0664 0.0664 0.2921 0.2922 0.3997 0.3998 0.5290 0.5290 0.6180 0.6180 1.5065 1.5065 1.5609 1.5609 1.8166 1.8167 1.9733 1.9734 2.2480 2.2480 2.2849 2.2849 5.1511 5.1511 5.2363 5.2363 5.3161 5.3161 5.5577 5.5577 6.8054 6.8054 k = 0.4049 0.5144-0.0000 ( 10170 PWs) bands (ev): -12.6692 -12.6692 -12.5899 -12.5899 -12.1120 -12.1120 -11.9752 -11.9752 -10.5050 -10.5050 -10.4366 -10.4366 -8.2061 -8.2061 -8.2041 -8.2041 -2.6040 -2.6040 -2.5955 -2.5955 -1.8720 -1.8720 -1.7764 -1.7764 -1.6211 -1.6211 -1.4181 -1.4180 -0.1546 -0.1546 0.0664 0.0664 0.2921 0.2922 0.3997 0.3998 0.5290 0.5290 0.6180 0.6180 1.5065 1.5065 1.5609 1.5609 1.8166 1.8167 1.9733 1.9734 2.2480 2.2480 2.2849 2.2849 5.1511 5.1511 5.2363 5.2363 5.3161 5.3161 5.5577 5.5577 6.8054 6.8054 k = 0.3914 0.5144-0.0000 ( 10166 PWs) bands (ev): -12.6709 -12.6709 -12.5943 -12.5943 -12.1106 -12.1106 -11.9782 -11.9782 -10.5064 -10.5064 -10.4402 -10.4402 -8.2026 -8.2025 -8.2000 -8.2000 -2.5976 -2.5976 -2.5896 -2.5891 -1.8675 -1.8675 -1.7789 -1.7781 -1.6128 -1.6117 -1.4226 -1.4215 -0.1464 -0.1454 0.0627 0.0702 0.2807 0.2999 0.3869 0.4109 0.5208 0.5217 0.6202 0.6285 1.5225 1.5279 1.5659 1.5728 1.8257 1.8265 1.9845 1.9937 2.2508 2.2609 2.2939 2.3006 5.1682 5.1692 5.2332 5.2351 5.3153 5.3186 5.5376 5.5379 6.7970 6.7971 k = 0.3779 0.5144-0.0000 ( 10176 PWs) bands (ev): -12.6731 -12.6731 -12.5994 -12.5993 -12.1094 -12.1094 -11.9814 -11.9814 -10.5080 -10.5080 -10.4439 -10.4438 -8.1983 -8.1982 -8.1951 -8.1951 -2.5910 -2.5909 -2.5821 -2.5813 -1.8623 -1.8623 -1.7809 -1.7794 -1.6031 -1.6011 -1.4261 -1.4239 -0.1364 -0.1342 0.0603 0.0740 0.2704 0.3056 0.3763 0.4196 0.5120 0.5135 0.6270 0.6436 1.5344 1.5479 1.5711 1.5825 1.8381 1.8404 1.9969 2.0143 2.2526 2.2735 2.3051 2.3167 5.1831 5.1837 5.2268 5.2281 5.3189 5.3246 5.5172 5.5178 6.7861 6.7863 k = 0.3644 0.5144-0.0000 ( 10178 PWs) bands (ev): -12.6760 -12.6759 -12.6050 -12.6049 -12.1084 -12.1083 -11.9849 -11.9848 -10.5097 -10.5097 -10.4477 -10.4476 -8.1931 -8.1929 -8.1895 -8.1894 -2.5839 -2.5838 -2.5734 -2.5723 -1.8567 -1.8566 -1.7825 -1.7803 -1.5919 -1.5892 -1.4283 -1.4249 -0.1248 -0.1211 0.0591 0.0779 0.2614 0.3086 0.3690 0.4236 0.5050 0.5063 0.6375 0.6615 1.5385 1.5637 1.5800 1.5926 1.8540 1.8580 2.0106 2.0350 2.2535 2.2856 2.3180 2.3332 5.1898 5.1946 5.2159 5.2213 5.3263 5.3333 5.4975 5.4983 6.7729 6.7732 k = 0.3509 0.5144-0.0000 ( 10170 PWs) bands (ev): -12.6793 -12.6792 -12.6112 -12.6111 -12.1075 -12.1074 -11.9885 -11.9885 -10.5115 -10.5115 -10.4516 -10.4516 -8.1872 -8.1870 -8.1831 -8.1830 -2.5764 -2.5761 -2.5638 -2.5624 -1.8506 -1.8505 -1.7836 -1.7809 -1.5793 -1.5760 -1.4289 -1.4243 -0.1117 -0.1062 0.0592 0.0818 0.2539 0.3083 0.3652 0.4211 0.4972 0.5064 0.6510 0.6813 1.5351 1.5712 1.5925 1.6069 1.8732 1.8789 2.0257 2.0559 2.2539 2.2972 2.3320 2.3499 5.1826 5.1985 5.2033 5.2216 5.3362 5.3438 5.4799 5.4807 6.7574 6.7578 k = 0.3374 0.5144-0.0000 ( 10172 PWs) bands (ev): -12.6832 -12.6831 -12.6179 -12.6177 -12.1068 -12.1067 -11.9923 -11.9923 -10.5134 -10.5134 -10.4556 -10.4556 -8.1806 -8.1803 -8.1760 -8.1759 -2.5684 -2.5679 -2.5536 -2.5520 -1.8444 -1.8442 -1.7841 -1.7811 -1.5651 -1.5616 -1.4277 -1.4219 -0.0974 -0.0900 0.0605 0.0855 0.2481 0.3053 0.3643 0.4126 0.4910 0.5121 0.6668 0.7023 1.5271 1.5713 1.6062 1.6245 1.8952 1.9024 2.0420 2.0769 2.2540 2.3082 2.3467 2.3666 5.1669 5.1804 5.2042 5.2219 5.3473 5.3553 5.4658 5.4664 6.7396 6.7400 k = 0.3239 0.5144-0.0000 ( 10177 PWs) bands (ev): -12.6874 -12.6873 -12.6250 -12.6248 -12.1062 -12.1061 -11.9963 -11.9963 -10.5154 -10.5154 -10.4597 -10.4597 -8.1733 -8.1731 -8.1684 -8.1683 -2.5599 -2.5593 -2.5430 -2.5412 -1.8383 -1.8378 -1.7841 -1.7808 -1.5494 -1.5458 -1.4244 -1.4174 -0.0822 -0.0725 0.0630 0.0890 0.2441 0.3010 0.3652 0.4007 0.4870 0.5213 0.6842 0.7241 1.5162 1.5668 1.6193 1.6425 1.9196 1.9281 2.0595 2.0979 2.2540 2.3184 2.3620 2.3834 5.1474 5.1591 5.1995 5.2168 5.3585 5.3671 5.4570 5.4570 6.7197 6.7200 k = 0.3104 0.5144-0.0000 ( 10169 PWs) bands (ev): -12.6920 -12.6919 -12.6325 -12.6323 -12.1058 -12.1057 -12.0005 -12.0004 -10.5175 -10.5175 -10.4639 -10.4638 -8.1656 -8.1652 -8.1603 -8.1601 -2.5511 -2.5504 -2.5321 -2.5301 -1.8324 -1.8315 -1.7835 -1.7801 -1.5322 -1.5288 -1.4186 -1.4105 -0.0663 -0.0540 0.0665 0.0920 0.2421 0.2967 0.3667 0.3873 0.4856 0.5322 0.7028 0.7464 1.5035 1.5594 1.6310 1.6593 1.9460 1.9555 2.0781 2.1191 2.2541 2.3280 2.3774 2.3999 5.1257 5.1358 5.1878 5.2046 5.3692 5.3785 5.4534 5.4543 6.6975 6.6978 k = 0.2969 0.5144-0.0000 ( 10169 PWs) bands (ev): -12.6969 -12.6968 -12.6402 -12.6400 -12.1055 -12.1053 -12.0047 -12.0047 -10.5196 -10.5196 -10.4681 -10.4681 -8.1573 -8.1570 -8.1518 -8.1516 -2.5421 -2.5412 -2.5212 -2.5190 -1.8268 -1.8256 -1.7824 -1.7789 -1.5135 -1.5104 -1.4102 -1.4011 -0.0503 -0.0351 0.0708 0.0942 0.2424 0.2932 0.3686 0.3741 0.4868 0.5436 0.7221 0.7689 1.4894 1.5497 1.6410 1.6743 1.9739 1.9842 2.0976 2.1402 2.2546 2.3371 2.3928 2.4161 5.1022 5.1109 5.1695 5.1856 5.3789 5.3892 5.4555 5.4574 6.6735 6.6735 k = 0.2834 0.5144-0.0000 ( 10167 PWs) bands (ev): -12.7021 -12.7020 -12.6482 -12.6480 -12.1052 -12.1051 -12.0091 -12.0090 -10.5218 -10.5217 -10.4724 -10.4723 -8.1487 -8.1484 -8.1430 -8.1428 -2.5329 -2.5320 -2.5103 -2.5080 -1.8217 -1.8199 -1.7807 -1.7774 -1.4932 -1.4907 -1.3990 -1.3890 -0.0347 -0.0163 0.0756 0.0956 0.2450 0.2913 0.3619 0.3714 0.4902 0.5550 0.7418 0.7913 1.4745 1.5381 1.6487 1.6868 2.0030 2.0137 2.1179 2.1612 2.2556 2.3457 2.4080 2.4319 5.0774 5.0845 5.1457 5.1610 5.3877 5.3992 5.4619 5.4648 6.6472 6.6475 k = 0.2700 0.5144-0.0000 ( 10159 PWs) bands (ev): -12.7075 -12.7073 -12.6564 -12.6562 -12.1051 -12.1049 -12.0136 -12.0135 -10.5239 -10.5239 -10.4767 -10.4767 -8.1398 -8.1395 -8.1339 -8.1337 -2.5238 -2.5228 -2.4996 -2.4972 -1.8170 -1.8147 -1.7786 -1.7756 -1.4714 -1.4696 -1.3848 -1.3740 -0.0201 0.0016 0.0806 0.0961 0.2502 0.2912 0.3516 0.3757 0.4953 0.5660 0.7616 0.8134 1.4589 1.5251 1.6540 1.6962 2.0329 2.0439 2.1389 2.1820 2.2576 2.3539 2.4228 2.4471 5.0515 5.0569 5.1177 5.1321 5.3961 5.4087 5.4712 5.4750 6.6192 6.6200 k = 0.2565 0.5144-0.0000 ( 10147 PWs) bands (ev): -12.7130 -12.7128 -12.6647 -12.6645 -12.1050 -12.1048 -12.0181 -12.0181 -10.5261 -10.5260 -10.4811 -10.4810 -8.1308 -8.1304 -8.1247 -8.1245 -2.5147 -2.5136 -2.4893 -2.4868 -1.8128 -1.8098 -1.7761 -1.7737 -1.4482 -1.4472 -1.3675 -1.3563 -0.0072 0.0174 0.0854 0.0963 0.2581 0.2937 0.3439 0.3818 0.5016 0.5763 0.7812 0.8350 1.4430 1.5109 1.6564 1.7021 2.0634 2.0743 2.1603 2.2025 2.2608 2.3621 2.4369 2.4615 5.0247 5.0281 5.0867 5.1001 5.4043 5.4180 5.4818 5.4864 6.5897 6.5911 k = 0.2430 0.5144-0.0000 ( 10151 PWs) bands (ev): -12.7185 -12.7184 -12.6730 -12.6728 -12.1050 -12.1048 -12.0227 -12.0226 -10.5282 -10.5281 -10.4854 -10.4853 -8.1216 -8.1211 -8.1154 -8.1153 -2.5059 -2.5048 -2.4794 -2.4768 -1.8088 -1.8053 -1.7732 -1.7716 -1.4236 -1.4235 -1.3473 -1.3358 0.0032 0.0293 0.0900 0.0972 0.2687 0.2990 0.3399 0.3902 0.5085 0.5855 0.8002 0.8558 1.4270 1.4957 1.6558 1.7042 2.0941 2.1046 2.1822 2.2226 2.2656 2.3704 2.4503 2.4753 4.9972 4.9982 5.0538 5.0662 5.4125 5.4272 5.4927 5.4981 6.5590 6.5611 k = 0.2295 0.5144-0.0000 ( 10149 PWs) bands (ev): -12.7241 -12.7239 -12.6814 -12.6811 -12.1049 -12.1048 -12.0273 -12.0273 -10.5303 -10.5302 -10.4897 -10.4896 -8.1123 -8.1119 -8.1062 -8.1060 -2.4973 -2.4962 -2.4701 -2.4675 -1.8051 -1.8009 -1.7702 -1.7696 -1.3984 -1.3976 -1.3244 -1.3127 0.0103 0.0352 0.0942 0.1005 0.2817 0.3075 0.3401 0.4009 0.5159 0.5935 0.8185 0.8757 1.4113 1.4799 1.6521 1.7021 2.1248 2.1344 2.2044 2.2419 2.2726 2.3790 2.4630 2.4882 4.9675 4.9692 5.0197 5.0310 5.4206 5.4363 5.5033 5.5093 6.5274 6.5304 k = 0.2160 0.5144-0.0000 ( 10143 PWs) bands (ev): -12.7296 -12.7294 -12.6896 -12.6894 -12.1049 -12.1047 -12.0319 -12.0319 -10.5323 -10.5322 -10.4939 -10.4938 -8.1031 -8.1027 -8.0970 -8.0969 -2.4892 -2.4881 -2.4615 -2.4588 -1.8016 -1.7968 -1.7675 -1.7670 -1.3720 -1.3703 -1.2988 -1.2872 0.0136 0.0346 0.0980 0.1065 0.2964 0.3195 0.3457 0.4138 0.5234 0.6000 0.8357 0.8945 1.3961 1.4637 1.6449 1.6957 2.1551 2.1634 2.2268 2.2596 2.2825 2.3881 2.4747 2.5002 4.9360 4.9407 4.9852 4.9950 5.4286 5.4453 5.5130 5.5197 6.4954 6.4992 k = 0.2025 0.5144-0.0000 ( 10129 PWs) bands (ev): -12.7350 -12.7349 -12.6977 -12.6975 -12.1049 -12.1047 -12.0365 -12.0365 -10.5342 -10.5341 -10.4981 -10.4980 -8.0940 -8.0936 -8.0880 -8.0879 -2.4814 -2.4804 -2.4536 -2.4509 -1.7981 -1.7927 -1.7654 -1.7637 -1.3444 -1.3419 -1.2710 -1.2596 0.0131 0.0289 0.1012 0.1135 0.3116 0.3348 0.3576 0.4284 0.5312 0.6049 0.8518 0.9120 1.3816 1.4473 1.6345 1.6851 2.1846 2.1912 2.2493 2.2751 2.2963 2.3979 2.4855 2.5113 4.9040 4.9121 4.9508 4.9589 5.4366 5.4540 5.5218 5.5291 6.4633 6.4680 k = 0.1890 0.5144-0.0000 ( 10141 PWs) bands (ev): -12.7403 -12.7401 -12.7056 -12.7054 -12.1048 -12.1047 -12.0411 -12.0410 -10.5360 -10.5360 -10.5022 -10.5021 -8.0852 -8.0847 -8.0793 -8.0792 -2.4742 -2.4732 -2.4464 -2.4438 -1.7947 -1.7887 -1.7633 -1.7603 -1.3157 -1.3124 -1.2412 -1.2302 0.0090 0.0199 0.1038 0.1199 0.3263 0.3529 0.3758 0.4441 0.5394 0.6081 0.8665 0.9281 1.3681 1.4309 1.6207 1.6705 2.2127 2.2174 2.2718 2.2890 2.3133 2.4086 2.4953 2.5216 4.8717 4.8834 4.9167 4.9229 5.4443 5.4625 5.5293 5.5373 6.4315 6.4371 k = 0.1755 0.5144-0.0000 ( 10149 PWs) bands (ev): -12.7453 -12.7452 -12.7133 -12.7131 -12.1047 -12.1045 -12.0456 -12.0455 -10.5377 -10.5377 -10.5062 -10.5061 -8.0766 -8.0761 -8.0709 -8.0708 -2.4674 -2.4665 -2.4400 -2.4375 -1.7913 -1.7848 -1.7612 -1.7569 -1.2860 -1.2821 -1.2100 -1.1995 0.0021 0.0091 0.1055 0.1247 0.3407 0.3732 0.3993 0.4599 0.5488 0.6096 0.8797 0.9427 1.3557 1.4149 1.6038 1.6522 2.2390 2.2420 2.2938 2.3030 2.3318 2.4202 2.5041 2.5310 4.8394 4.8549 4.8834 4.8874 5.4519 5.4708 5.5355 5.5441 6.4006 6.4070 k = 0.1620 0.5144-0.0000 ( 10147 PWs) bands (ev): -12.7501 -12.7500 -12.7207 -12.7205 -12.1046 -12.1044 -12.0500 -12.0500 -10.5393 -10.5392 -10.5101 -10.5100 -8.0683 -8.0678 -8.0628 -8.0627 -2.4612 -2.4603 -2.4345 -2.4321 -1.7879 -1.7808 -1.7591 -1.7536 -1.2555 -1.2510 -1.1777 -1.1678 -0.0067 -0.0025 0.1060 0.1274 0.3550 0.3947 0.4264 0.4747 0.5606 0.6096 0.8915 0.9556 1.3448 1.3994 1.5840 1.6307 2.2627 2.2646 2.3151 2.3180 2.3511 2.4329 2.5120 2.5396 4.8075 4.8267 4.8509 4.8527 5.4591 5.4786 5.5404 5.5497 6.3708 6.3780 k = 0.1485 0.5144-0.0000 ( 10135 PWs) bands (ev): -12.7546 -12.7545 -12.7278 -12.7276 -12.1043 -12.1041 -12.0543 -12.0543 -10.5407 -10.5406 -10.5138 -10.5137 -8.0604 -8.0600 -8.0552 -8.0552 -2.4555 -2.4547 -2.4298 -2.4275 -1.7845 -1.7768 -1.7571 -1.7504 -1.2243 -1.2194 -1.1449 -1.1357 -0.0167 -0.0144 0.1050 0.1277 0.3694 0.4162 0.4553 0.4871 0.5763 0.6091 0.9017 0.9668 1.3354 1.3847 1.5617 1.6064 2.2834 2.2854 2.3340 2.3351 2.3708 2.4467 2.5191 2.5476 4.7765 4.7991 4.8193 4.8194 5.4661 5.4862 5.5439 5.5539 6.3426 6.3506 k = 0.1350 0.5144-0.0000 ( 10141 PWs) bands (ev): -12.7588 -12.7587 -12.7345 -12.7343 -12.1039 -12.1037 -12.0585 -12.0585 -10.5419 -10.5418 -10.5174 -10.5173 -8.0530 -8.0526 -8.0481 -8.0481 -2.4503 -2.4496 -2.4259 -2.4237 -1.7810 -1.7728 -1.7552 -1.7473 -1.1928 -1.1875 -1.1123 -1.1038 -0.0272 -0.0259 0.1023 0.1256 0.3838 0.4365 0.4838 0.4966 0.5965 0.6094 0.9104 0.9761 1.3274 1.3710 1.5374 1.5799 2.3014 2.3044 2.3504 2.3533 2.3908 2.4614 2.5254 2.5549 4.7468 4.7723 4.7873 4.7890 5.4727 5.4933 5.5462 5.5569 6.3163 6.3249 k = 0.1215 0.5144-0.0000 ( 10151 PWs) bands (ev): -12.7625 -12.7625 -12.7408 -12.7406 -12.1034 -12.1032 -12.0626 -12.0625 -10.5429 -10.5429 -10.5209 -10.5208 -8.0461 -8.0457 -8.0416 -8.0416 -2.4456 -2.4449 -2.4227 -2.4207 -1.7776 -1.7689 -1.7534 -1.7446 -1.1611 -1.1557 -1.0803 -1.0726 -0.0373 -0.0364 0.0976 0.1209 0.3977 0.4545 0.5037 0.5084 0.6141 0.6213 0.9175 0.9833 1.3209 1.3583 1.5116 1.5517 2.3171 2.3216 2.3659 2.3695 2.4110 2.4768 2.5310 2.5616 4.7188 4.7465 4.7572 4.7600 5.4790 5.4999 5.5473 5.5588 6.2922 6.3014 k = 0.1080 0.5144-0.0000 ( 10154 PWs) bands (ev): -12.7659 -12.7658 -12.7466 -12.7464 -12.1028 -12.1026 -12.0665 -12.0665 -10.5437 -10.5437 -10.5241 -10.5240 -8.0398 -8.0394 -8.0356 -8.0356 -2.4413 -2.4407 -2.4202 -2.4185 -1.7742 -1.7649 -1.7518 -1.7421 -1.1297 -1.1243 -1.0499 -1.0430 -0.0465 -0.0455 0.0908 0.1135 0.4110 0.4693 0.5095 0.5242 0.6278 0.6496 0.9232 0.9881 1.3158 1.3469 1.4849 1.5224 2.3312 2.3371 2.3798 2.3833 2.4311 2.4926 2.5359 2.5678 4.6929 4.7221 4.7292 4.7325 5.4850 5.5062 5.5473 5.5596 6.2705 6.2803 k = 0.0945 0.5144-0.0000 ( 10161 PWs) bands (ev): -12.7688 -12.7687 -12.7520 -12.7518 -12.1020 -12.1018 -12.0702 -12.0702 -10.5444 -10.5443 -10.5271 -10.5271 -8.0340 -8.0336 -8.0304 -8.0303 -2.4375 -2.4369 -2.4185 -2.4168 -1.7708 -1.7610 -1.7505 -1.7401 -1.0989 -1.0936 -1.0217 -1.0156 -0.0540 -0.0526 0.0817 0.1034 0.4234 0.4804 0.5151 0.5295 0.6524 0.6805 0.9274 0.9903 1.3119 1.3369 1.4580 1.4927 2.3441 2.3511 2.3914 2.3947 2.4507 2.5082 2.5403 2.5734 4.6696 4.6994 4.7037 4.7068 5.4907 5.5120 5.5463 5.5595 6.2514 6.2617 k = 0.0810 0.5144-0.0000 ( 10155 PWs) bands (ev): -12.7712 -12.7711 -12.7568 -12.7567 -12.1010 -12.1009 -12.0738 -12.0738 -10.5448 -10.5447 -10.5300 -10.5299 -8.0290 -8.0286 -8.0257 -8.0257 -2.4340 -2.4335 -2.4173 -2.4158 -1.7676 -1.7573 -1.7496 -1.7385 -1.0692 -1.0642 -0.9964 -0.9912 -0.0594 -0.0572 0.0703 0.0905 0.4349 0.4884 0.5204 0.5276 0.6843 0.7128 0.9299 0.9893 1.3093 1.3286 1.4318 1.4633 2.3559 2.3637 2.4006 2.4036 2.4692 2.5233 2.5439 2.5784 4.6492 4.6785 4.6810 4.6831 5.4961 5.5174 5.5446 5.5586 6.2350 6.2459 k = 0.0675 0.5144-0.0000 ( 10149 PWs) bands (ev): -12.7731 -12.7731 -12.7612 -12.7610 -12.0999 -12.0997 -12.0772 -12.0772 -10.5449 -10.5449 -10.5326 -10.5325 -8.0245 -8.0242 -8.0218 -8.0218 -2.4309 -2.4304 -2.4166 -2.4154 -1.7644 -1.7536 -1.7490 -1.7374 -1.0411 -1.0365 -0.9751 -0.9707 -0.0619 -0.0588 0.0567 0.0753 0.4453 0.4945 0.5223 0.5248 0.7199 0.7456 0.9304 0.9847 1.3079 1.3220 1.4070 1.4347 2.3668 2.3749 2.4072 2.4102 2.4864 2.5373 2.5468 2.5826 4.6319 4.6599 4.6615 4.6618 5.5012 5.5225 5.5422 5.5571 6.2215 6.2328 k = 0.0540 0.5144-0.0000 ( 10150 PWs) bands (ev): -12.7745 -12.7744 -12.7649 -12.7648 -12.0985 -12.0984 -12.0804 -12.0804 -10.5448 -10.5448 -10.5349 -10.5349 -8.0208 -8.0205 -8.0187 -8.0185 -2.4281 -2.4276 -2.4165 -2.4154 -1.7614 -1.7502 -1.7488 -1.7369 -1.0151 -1.0111 -0.9582 -0.9548 -0.0613 -0.0570 0.0414 0.0581 0.4548 0.4998 0.5156 0.5275 0.7569 0.7779 0.9285 0.9759 1.3077 1.3177 1.3843 1.4079 2.3768 2.3848 2.4112 2.4144 2.5017 2.5488 2.5501 2.5858 4.6181 4.6432 4.6439 4.6454 5.5061 5.5271 5.5392 5.5550 6.2108 6.2225 k = 0.0405 0.5144-0.0000 ( 10148 PWs) bands (ev): -12.7753 -12.7753 -12.7682 -12.7681 -12.0970 -12.0969 -12.0834 -12.0834 -10.5445 -10.5445 -10.5371 -10.5370 -8.0179 -8.0176 -8.0162 -8.0161 -2.4256 -2.4251 -2.4168 -2.4158 -1.7587 -1.7490 -1.7471 -1.7368 -0.9919 -0.9886 -0.9465 -0.9440 -0.0571 -0.0517 0.0248 0.0396 0.4634 0.5049 0.5084 0.5282 0.7937 0.8089 0.9235 0.9625 1.3089 1.3160 1.3644 1.3834 2.3859 2.3935 2.4130 2.4165 2.5150 2.5495 2.5612 2.5877 4.6080 4.6274 4.6311 4.6326 5.5108 5.5315 5.5358 5.5525 6.2029 6.2126 k = 0.0270 0.5144-0.0000 ( 10152 PWs) bands (ev): -12.7756 -12.7755 -12.7708 -12.7707 -12.0953 -12.0952 -12.0862 -12.0862 -10.5439 -10.5439 -10.5390 -10.5389 -8.0157 -8.0154 -8.0146 -8.0144 -2.4234 -2.4229 -2.4175 -2.4166 -1.7562 -1.7496 -1.7443 -1.7374 -0.9721 -0.9696 -0.9402 -0.9388 -0.0495 -0.0427 0.0076 0.0207 0.4715 0.5010 0.5101 0.5270 0.8295 0.8375 0.9148 0.9443 1.3118 1.3174 1.3477 1.3622 2.3939 2.4009 2.4126 2.4167 2.5262 2.5488 2.5705 2.5880 4.6017 4.6150 4.6219 4.6231 5.5153 5.5321 5.5356 5.5496 6.1978 6.2044 k = 0.0135 0.5144-0.0000 ( 10156 PWs) bands (ev): -12.7752 -12.7752 -12.7729 -12.7728 -12.0933 -12.0932 -12.0888 -12.0887 -10.5430 -10.5430 -10.5406 -10.5405 -8.0142 -8.0140 -8.0137 -8.0135 -2.4215 -2.4209 -2.4185 -2.4178 -1.7540 -1.7507 -1.7419 -1.7384 -0.9563 -0.9547 -0.9396 -0.9392 -0.0386 -0.0304 -0.0093 0.0020 0.4791 0.4937 0.5153 0.5241 0.8630 0.8633 0.9019 0.9214 1.3168 1.3225 1.3344 1.3448 2.4008 2.4070 2.4103 2.4151 2.5351 2.5463 2.5779 2.5866 4.5993 4.6060 4.6165 4.6172 5.5197 5.5281 5.5394 5.5464 6.1955 6.1988 k = 0.0000 0.5144-0.0000 ( 10154 PWs) bands (ev): -12.7744 -12.7744 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5419 -10.5419 -10.5419 -10.5419 -8.0136 -8.0136 -8.0133 -8.0133 -2.4198 -2.4198 -2.4192 -2.4192 -1.7521 -1.7521 -1.7399 -1.7399 -0.9452 -0.9452 -0.9446 -0.9446 -0.0250 -0.0250 -0.0153 -0.0153 0.4865 0.4865 0.5201 0.5201 0.8846 0.8846 0.8942 0.8942 1.3241 1.3241 1.3315 1.3315 2.4063 2.4063 2.4118 2.4118 2.5417 2.5417 2.5832 2.5832 4.6007 4.6007 4.6149 4.6149 5.5240 5.5240 5.5430 5.5430 6.1958 6.1958 k = 0.0000 0.5144-0.0000 ( 10154 PWs) bands (ev): -12.7744 -12.7744 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5419 -10.5419 -10.5419 -10.5419 -8.0136 -8.0136 -8.0133 -8.0133 -2.4198 -2.4198 -2.4192 -2.4192 -1.7521 -1.7521 -1.7399 -1.7399 -0.9452 -0.9452 -0.9446 -0.9446 -0.0250 -0.0250 -0.0153 -0.0153 0.4865 0.4865 0.5201 0.5201 0.8846 0.8846 0.8942 0.8942 1.3241 1.3241 1.3315 1.3315 2.4063 2.4063 2.4118 2.4118 2.5417 2.5417 2.5832 2.5832 4.6007 4.6007 4.6149 4.6149 5.5240 5.5240 5.5430 5.5430 6.1958 6.1958 k = 0.0000 0.5144 0.0127 ( 10154 PWs) bands (ev): -12.7744 -12.7744 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5419 -10.5419 -10.5419 -10.5419 -8.0136 -8.0136 -8.0133 -8.0133 -2.4197 -2.4197 -2.4186 -2.4186 -1.7534 -1.7534 -1.7411 -1.7411 -0.9456 -0.9456 -0.9412 -0.9412 -0.0278 -0.0278 -0.0143 -0.0143 0.4855 0.4855 0.5201 0.5201 0.8792 0.8792 0.9026 0.9026 1.3230 1.3230 1.3319 1.3319 2.4010 2.4010 2.4103 2.4103 2.5452 2.5452 2.5860 2.5860 4.6004 4.6004 4.6151 4.6151 5.5240 5.5240 5.5430 5.5430 6.1959 6.1959 k = 0.0000 0.5144 0.0254 ( 10160 PWs) bands (ev): -12.7744 -12.7744 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5419 -10.5419 -10.5419 -10.5419 -8.0136 -8.0136 -8.0133 -8.0133 -2.4189 -2.4189 -2.4170 -2.4170 -1.7571 -1.7571 -1.7445 -1.7444 -0.9433 -0.9433 -0.9348 -0.9348 -0.0343 -0.0343 -0.0135 -0.0135 0.4830 0.4830 0.5198 0.5198 0.8739 0.8739 0.9168 0.9168 1.3203 1.3203 1.3323 1.3323 2.3892 2.3892 2.4036 2.4036 2.5544 2.5544 2.5935 2.5935 4.5995 4.5995 4.6156 4.6156 5.5239 5.5239 5.5429 5.5429 6.1960 6.1960 k = 0.0000 0.5144 0.0381 ( 10156 PWs) bands (ev): -12.7744 -12.7744 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5420 -10.5420 -10.5419 -10.5419 -8.0136 -8.0136 -8.0133 -8.0133 -2.4174 -2.4174 -2.4147 -2.4147 -1.7629 -1.7629 -1.7499 -1.7499 -0.9383 -0.9383 -0.9262 -0.9262 -0.0428 -0.0428 -0.0139 -0.0139 0.4795 0.4795 0.5189 0.5189 0.8718 0.8718 0.9331 0.9331 1.3165 1.3165 1.3324 1.3324 2.3742 2.3742 2.3921 2.3921 2.5676 2.5676 2.6041 2.6041 4.5983 4.5983 4.6163 4.6163 5.5239 5.5239 5.5427 5.5427 6.1962 6.1962 k = 0.0000 0.5144 0.0508 ( 10154 PWs) bands (ev): -12.7744 -12.7744 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5420 -10.5420 -10.5419 -10.5419 -8.0136 -8.0136 -8.0133 -8.0133 -2.4153 -2.4153 -2.4118 -2.4118 -1.7703 -1.7703 -1.7571 -1.7571 -0.9310 -0.9310 -0.9158 -0.9158 -0.0527 -0.0527 -0.0159 -0.0159 0.4758 0.4758 0.5169 0.5170 0.8729 0.8729 0.9506 0.9506 1.3121 1.3121 1.3318 1.3318 2.3581 2.3581 2.3776 2.3776 2.5826 2.5826 2.6160 2.6160 4.5967 4.5967 4.6171 4.6171 5.5238 5.5238 5.5424 5.5424 6.1964 6.1964 k = 0.0000 0.5144 0.0635 ( 10154 PWs) bands (ev): -12.7743 -12.7743 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5420 -10.5420 -10.5419 -10.5419 -8.0136 -8.0136 -8.0133 -8.0133 -2.4127 -2.4127 -2.4086 -2.4086 -1.7786 -1.7786 -1.7655 -1.7655 -0.9218 -0.9218 -0.9043 -0.9042 -0.0633 -0.0633 -0.0191 -0.0191 0.4723 0.4723 0.5139 0.5139 0.8768 0.8768 0.9686 0.9686 1.3074 1.3074 1.3304 1.3304 2.3420 2.3420 2.3618 2.3618 2.5980 2.5980 2.6281 2.6281 4.5951 4.5951 4.6179 4.6179 5.5237 5.5237 5.5421 5.5421 6.1967 6.1967 k = 0.0000 0.5144 0.0763 ( 10154 PWs) bands (ev): -12.7743 -12.7743 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5420 -10.5420 -10.5419 -10.5419 -8.0137 -8.0137 -8.0133 -8.0133 -2.4097 -2.4097 -2.4051 -2.4051 -1.7873 -1.7873 -1.7747 -1.7746 -0.9116 -0.9116 -0.8924 -0.8924 -0.0743 -0.0743 -0.0234 -0.0234 0.4693 0.4693 0.5100 0.5100 0.8828 0.8828 0.9862 0.9862 1.3024 1.3024 1.3285 1.3285 2.3270 2.3270 2.3459 2.3459 2.6129 2.6129 2.6395 2.6395 4.5935 4.5935 4.6186 4.6186 5.5236 5.5236 5.5417 5.5417 6.1970 6.1970 k = 0.0000 0.5144 0.0890 ( 10146 PWs) bands (ev): -12.7743 -12.7743 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5420 -10.5420 -10.5419 -10.5419 -8.0137 -8.0137 -8.0133 -8.0133 -2.4067 -2.4067 -2.4016 -2.4016 -1.7958 -1.7957 -1.7840 -1.7839 -0.9010 -0.9010 -0.8809 -0.8809 -0.0849 -0.0849 -0.0282 -0.0282 0.4671 0.4671 0.5056 0.5056 0.8901 0.8901 1.0029 1.0029 1.2976 1.2976 1.3260 1.3260 2.3136 2.3136 2.3308 2.3308 2.6267 2.6267 2.6495 2.6495 4.5920 4.5920 4.6192 4.6192 5.5235 5.5235 5.5413 5.5413 6.1974 6.1974 k = 0.0000 0.5144 0.1017 ( 10144 PWs) bands (ev): -12.7743 -12.7743 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5420 -10.5420 -10.5418 -10.5418 -8.0137 -8.0137 -8.0133 -8.0133 -2.4037 -2.4037 -2.3983 -2.3983 -1.8033 -1.8033 -1.7928 -1.7928 -0.8908 -0.8908 -0.8704 -0.8704 -0.0947 -0.0946 -0.0330 -0.0330 0.4656 0.4656 0.5010 0.5010 0.8978 0.8978 1.0178 1.0178 1.2932 1.2932 1.3232 1.3232 2.3025 2.3025 2.3171 2.3171 2.6389 2.6389 2.6578 2.6578 4.5906 4.5906 4.6196 4.6196 5.5235 5.5235 5.5410 5.5410 6.1978 6.1978 k = 0.0000 0.5144 0.1144 ( 10136 PWs) bands (ev): -12.7743 -12.7743 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5420 -10.5420 -10.5418 -10.5418 -8.0137 -8.0137 -8.0133 -8.0133 -2.4011 -2.4011 -2.3955 -2.3955 -1.8096 -1.8096 -1.8005 -1.8005 -0.8818 -0.8818 -0.8617 -0.8617 -0.1030 -0.1029 -0.0374 -0.0374 0.4649 0.4649 0.4968 0.4968 0.9049 0.9049 1.0304 1.0304 1.2894 1.2894 1.3204 1.3204 2.2938 2.2939 2.3054 2.3054 2.6491 2.6491 2.6642 2.6642 4.5895 4.5895 4.6200 4.6200 5.5234 5.5234 5.5407 5.5407 6.1981 6.1981 k = 0.0000 0.5144 0.1271 ( 10136 PWs) bands (ev): -12.7743 -12.7743 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5420 -10.5420 -10.5418 -10.5418 -8.0137 -8.0137 -8.0133 -8.0133 -2.3990 -2.3990 -2.3934 -2.3934 -1.8142 -1.8142 -1.8067 -1.8067 -0.8748 -0.8748 -0.8551 -0.8551 -0.1093 -0.1093 -0.0410 -0.0410 0.4647 0.4647 0.4932 0.4932 0.9106 0.9106 1.0398 1.0398 1.2865 1.2865 1.3180 1.3180 2.2881 2.2881 2.2961 2.2961 2.6570 2.6570 2.6684 2.6684 4.5886 4.5886 4.6203 4.6203 5.5234 5.5234 5.5405 5.5405 6.1984 6.1984 k = 0.0000 0.5144 0.1398 ( 10128 PWs) bands (ev): -12.7743 -12.7743 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5420 -10.5420 -10.5418 -10.5418 -8.0137 -8.0137 -8.0133 -8.0133 -2.3977 -2.3977 -2.3920 -2.3920 -1.8169 -1.8169 -1.8107 -1.8107 -0.8703 -0.8703 -0.8510 -0.8510 -0.1133 -0.1133 -0.0432 -0.0432 0.4648 0.4648 0.4908 0.4908 0.9143 0.9143 1.0458 1.0458 1.2847 1.2847 1.3164 1.3164 2.2854 2.2854 2.2896 2.2896 2.6622 2.6622 2.6706 2.6706 4.5881 4.5881 4.6204 4.6204 5.5233 5.5233 5.5403 5.5403 6.1985 6.1985 k = 0.0000 0.5144 0.1525 ( 10124 PWs) bands (ev): -12.7743 -12.7743 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5420 -10.5420 -10.5418 -10.5418 -8.0138 -8.0138 -8.0133 -8.0133 -2.3972 -2.3972 -2.3915 -2.3915 -1.8178 -1.8178 -1.8121 -1.8121 -0.8687 -0.8687 -0.8496 -0.8496 -0.1146 -0.1146 -0.0440 -0.0440 0.4649 0.4649 0.4899 0.4899 0.9156 0.9156 1.0478 1.0478 1.2841 1.2841 1.3158 1.3158 2.2853 2.2853 2.2866 2.2866 2.6641 2.6641 2.6711 2.6711 4.5879 4.5879 4.6205 4.6205 5.5233 5.5233 5.5403 5.5403 6.1986 6.1986 k = 0.0000 0.5144 0.1525 ( 10124 PWs) bands (ev): -12.7743 -12.7743 -12.7743 -12.7743 -12.0912 -12.0912 -12.0911 -12.0911 -10.5420 -10.5420 -10.5418 -10.5418 -8.0138 -8.0138 -8.0133 -8.0133 -2.3972 -2.3972 -2.3915 -2.3915 -1.8178 -1.8178 -1.8121 -1.8121 -0.8687 -0.8687 -0.8496 -0.8496 -0.1146 -0.1146 -0.0440 -0.0440 0.4649 0.4649 0.4899 0.4899 0.9156 0.9156 1.0478 1.0478 1.2841 1.2841 1.3158 1.3158 2.2853 2.2853 2.2866 2.2866 2.6641 2.6641 2.6711 2.6711 4.5879 4.5879 4.6205 4.6205 5.5233 5.5233 5.5403 5.5403 6.1986 6.1986 k = 0.0135 0.5144 0.1525 ( 10112 PWs) bands (ev): -12.7741 -12.7741 -12.7739 -12.7739 -12.0912 -12.0911 -12.0910 -12.0909 -10.5420 -10.5419 -10.5417 -10.5415 -8.0145 -8.0140 -8.0138 -8.0133 -2.3980 -2.3970 -2.3920 -2.3915 -1.8207 -1.8151 -1.8147 -1.8095 -0.8743 -0.8691 -0.8568 -0.8482 -0.1217 -0.1070 -0.0508 -0.0367 0.4585 0.4736 0.4786 0.5043 0.9043 0.9207 1.0294 1.0589 1.2718 1.3028 1.3086 1.3278 2.2794 2.2799 2.2892 2.2908 2.6559 2.6638 2.6705 2.6770 4.5869 4.5932 4.6217 4.6233 5.5217 5.5247 5.5392 5.5409 6.1943 6.2027 k = 0.0270 0.5144 0.1525 ( 10114 PWs) bands (ev): -12.7734 -12.7734 -12.7730 -12.7729 -12.0910 -12.0909 -12.0905 -12.0904 -10.5417 -10.5416 -10.5412 -10.5410 -8.0160 -8.0156 -8.0147 -8.0141 -2.3993 -2.3972 -2.3930 -2.3920 -1.8237 -1.8173 -1.8125 -1.8069 -0.8857 -0.8755 -0.8694 -0.8526 -0.1278 -0.0994 -0.0567 -0.0294 0.4548 0.4707 0.4841 0.5212 0.8877 0.9191 1.0064 1.0600 1.2685 1.3068 1.3249 1.3438 2.2708 2.2716 2.2909 2.2923 2.6461 2.6551 2.6750 2.6811 4.5900 4.6025 4.6269 4.6302 5.5198 5.5258 5.5376 5.5412 6.1926 6.2013 k = 0.0405 0.5144 0.1525 ( 10124 PWs) bands (ev): -12.7720 -12.7720 -12.7714 -12.7714 -12.0905 -12.0905 -12.0899 -12.0898 -10.5412 -10.5411 -10.5404 -10.5402 -8.0182 -8.0178 -8.0163 -8.0157 -2.4010 -2.3979 -2.3944 -2.3929 -1.8270 -1.8199 -1.8102 -1.8042 -0.9024 -0.8875 -0.8870 -0.8626 -0.1327 -0.0923 -0.0615 -0.0226 0.4539 0.4666 0.4958 0.5400 0.8666 0.9111 0.9807 1.0506 1.2751 1.3103 1.3486 1.3626 2.2595 2.2624 2.2904 2.2912 2.6348 2.6451 2.6773 2.6834 4.5973 4.6157 4.6360 4.6408 5.5177 5.5265 5.5356 5.5409 6.1935 6.2025 k = 0.0540 0.5144 0.1525 ( 10136 PWs) bands (ev): -12.7702 -12.7701 -12.7693 -12.7693 -12.0899 -12.0898 -12.0890 -12.0889 -10.5405 -10.5404 -10.5393 -10.5391 -8.0212 -8.0209 -8.0187 -8.0181 -2.4033 -2.3991 -2.3963 -2.3943 -1.8304 -1.8224 -1.8080 -1.8016 -0.9239 -0.9090 -0.9047 -0.8778 -0.1364 -0.0864 -0.0653 -0.0171 0.4556 0.4664 0.5080 0.5598 0.8422 0.8975 0.9536 1.0327 1.2898 1.3187 1.3727 1.3835 2.2463 2.2518 2.2874 2.2877 2.6223 2.6341 2.6774 2.6838 4.6086 4.6325 4.6490 4.6551 5.5153 5.5269 5.5330 5.5402 6.1972 6.2064 k = 0.0675 0.5144 0.1525 ( 10146 PWs) bands (ev): -12.7677 -12.7676 -12.7667 -12.7666 -12.0890 -12.0890 -12.0880 -12.0879 -10.5395 -10.5393 -10.5380 -10.5378 -8.0250 -8.0246 -8.0218 -8.0212 -2.4061 -2.4008 -2.3988 -2.3961 -1.8340 -1.8250 -1.8060 -1.7989 -0.9494 -0.9345 -0.9264 -0.8975 -0.1388 -0.0820 -0.0681 -0.0134 0.4597 0.4700 0.5201 0.5799 0.8155 0.8793 0.9260 1.0094 1.3100 1.3310 1.3962 1.4054 2.2315 2.2402 2.2811 2.2829 2.6085 2.6219 2.6752 2.6820 4.6238 4.6526 4.6654 4.6727 5.5126 5.5269 5.5299 5.5389 6.2036 6.2130 k = 0.0810 0.5144 0.1525 ( 10152 PWs) bands (ev): -12.7647 -12.7646 -12.7635 -12.7634 -12.0880 -12.0879 -12.0867 -12.0866 -10.5382 -10.5381 -10.5365 -10.5363 -8.0294 -8.0291 -8.0257 -8.0251 -2.4094 -2.4031 -2.4018 -2.3985 -1.8378 -1.8277 -1.8043 -1.7962 -0.9781 -0.9628 -0.9519 -0.9211 -0.1401 -0.0795 -0.0702 -0.0116 0.4655 0.4770 0.5311 0.5991 0.7875 0.8577 0.8987 0.9831 1.3335 1.3466 1.4188 1.4276 2.2155 2.2279 2.2725 2.2760 2.5937 2.6087 2.6705 2.6781 4.6426 4.6758 4.6852 4.6932 5.5097 5.5261 5.5264 5.5370 6.2129 6.2225 k = 0.0945 0.5144 0.1525 ( 10150 PWs) bands (ev): -12.7612 -12.7611 -12.7599 -12.7597 -12.0867 -12.0867 -12.0853 -12.0852 -10.5367 -10.5366 -10.5347 -10.5346 -8.0345 -8.0342 -8.0303 -8.0296 -2.4133 -2.4059 -2.4054 -2.4013 -1.8418 -1.8303 -1.8029 -1.7935 -1.0093 -0.9933 -0.9803 -0.9477 -0.1404 -0.0787 -0.0717 -0.0119 0.4721 0.4870 0.5405 0.6159 0.7597 0.8337 0.8723 0.9557 1.3588 1.3645 1.4399 1.4497 2.1986 2.2153 2.2618 2.2673 2.5778 2.5946 2.6635 2.6720 4.6647 4.7016 4.7078 4.7164 5.5064 5.5218 5.5254 5.5344 6.2252 6.2348 k = 0.1080 0.5144 0.1525 ( 10154 PWs) bands (ev): -12.7572 -12.7571 -12.7557 -12.7556 -12.0853 -12.0852 -12.0837 -12.0835 -10.5350 -10.5348 -10.5328 -10.5326 -8.0403 -8.0400 -8.0355 -8.0349 -2.4178 -2.4096 -2.4093 -2.4047 -1.8459 -1.8330 -1.8017 -1.7909 -1.0424 -1.0253 -1.0109 -0.9766 -0.1400 -0.0798 -0.0730 -0.0141 0.4782 0.4991 0.5477 0.6273 0.7350 0.8084 0.8473 0.9288 1.3842 1.3850 1.4593 1.4710 2.1812 2.2026 2.2495 2.2571 2.5610 2.5795 2.6540 2.6635 4.6898 4.7296 4.7329 4.7417 5.5029 5.5169 5.5239 5.5312 6.2404 6.2502 k = 0.1215 0.5144 0.1525 ( 10144 PWs) bands (ev): -12.7528 -12.7526 -12.7511 -12.7509 -12.0837 -12.0836 -12.0820 -12.0818 -10.5330 -10.5329 -10.5306 -10.5304 -8.0466 -8.0464 -8.0415 -8.0408 -2.4229 -2.4144 -2.4133 -2.4087 -1.8503 -1.8358 -1.8009 -1.7884 -1.0765 -1.0580 -1.0430 -1.0070 -0.1389 -0.0825 -0.0742 -0.0178 0.4823 0.5127 0.5525 0.6280 0.7181 0.7830 0.8240 0.9036 1.4050 1.4115 1.4767 1.4910 2.1637 2.1902 2.2358 2.2456 2.5433 2.5634 2.6422 2.6529 4.7174 4.7593 4.7601 4.7688 5.4992 5.5113 5.5218 5.5272 6.2585 6.2684 k = 0.1350 0.5144 0.1525 ( 10144 PWs) bands (ev): -12.7479 -12.7477 -12.7461 -12.7459 -12.0819 -12.0819 -12.0800 -12.0799 -10.5308 -10.5307 -10.5283 -10.5281 -8.0535 -8.0533 -8.0480 -8.0473 -2.4287 -2.4199 -2.4179 -2.4133 -1.8547 -1.8386 -1.8005 -1.7861 -1.1113 -1.0910 -1.0759 -1.0384 -0.1371 -0.0864 -0.0757 -0.0226 0.4823 0.5265 0.5553 0.6142 0.7116 0.7598 0.8025 0.8815 1.4263 1.4377 1.4919 1.5094 2.1465 2.1784 2.2211 2.2332 2.5247 2.5464 2.6281 2.6399 4.7471 4.7888 4.7905 4.7972 5.4952 5.5052 5.5192 5.5224 6.2796 6.2895 k = 0.1485 0.5144 0.1525 ( 10146 PWs) bands (ev): -12.7426 -12.7424 -12.7407 -12.7405 -12.0800 -12.0800 -12.0780 -12.0778 -10.5285 -10.5284 -10.5258 -10.5256 -8.0609 -8.0607 -8.0551 -8.0544 -2.4350 -2.4260 -2.4231 -2.4184 -1.8593 -1.8414 -1.8005 -1.7839 -1.1460 -1.1237 -1.1092 -1.0702 -0.1349 -0.0913 -0.0777 -0.0279 0.4767 0.5382 0.5565 0.5919 0.7053 0.7451 0.7827 0.8635 1.4475 1.4629 1.5047 1.5258 2.1299 2.1674 2.2059 2.2202 2.5054 2.5286 2.6118 2.6248 4.7786 4.8186 4.8226 4.8265 5.4912 5.4986 5.5161 5.5169 6.3034 6.3134 k = 0.1620 0.5144 0.1525 ( 10150 PWs) bands (ev): -12.7369 -12.7368 -12.7349 -12.7347 -12.0780 -12.0779 -12.0759 -12.0757 -10.5259 -10.5258 -10.5231 -10.5229 -8.0688 -8.0686 -8.0627 -8.0620 -2.4420 -2.4327 -2.4290 -2.4242 -1.8640 -1.8442 -1.8010 -1.7821 -1.1803 -1.1558 -1.1423 -1.1019 -0.1321 -0.0967 -0.0806 -0.0328 0.4647 0.5381 0.5562 0.5757 0.6885 0.7446 0.7646 0.8502 1.4679 1.4866 1.5150 1.5400 2.1142 2.1573 2.1908 2.2071 2.4854 2.5100 2.5937 2.6076 4.8112 4.8489 4.8552 4.8562 5.4873 5.4915 5.5106 5.5126 6.3298 6.3397 k = 0.1755 0.5144 0.1525 ( 10154 PWs) bands (ev): -12.7310 -12.7308 -12.7289 -12.7287 -12.0758 -12.0758 -12.0736 -12.0735 -10.5232 -10.5231 -10.5203 -10.5201 -8.0770 -8.0768 -8.0707 -8.0700 -2.4496 -2.4401 -2.4355 -2.4307 -1.8687 -1.8470 -1.8021 -1.7806 -1.2137 -1.1868 -1.1749 -1.1330 -0.1290 -0.1020 -0.0847 -0.0368 0.4469 0.5154 0.5534 0.5781 0.6676 0.7487 0.7505 0.8414 1.4865 1.5079 1.5232 1.5520 2.0994 2.1481 2.1764 2.1944 2.4649 2.4908 2.5737 2.5885 4.8446 4.8790 4.8860 4.8881 5.4836 5.4842 5.5037 5.5090 6.3585 6.3684 k = 0.1890 0.5144 0.1525 ( 10156 PWs) bands (ev): -12.7247 -12.7246 -12.7226 -12.7224 -12.0736 -12.0736 -12.0713 -12.0712 -10.5204 -10.5203 -10.5174 -10.5172 -8.0856 -8.0854 -8.0792 -8.0785 -2.4578 -2.4481 -2.4427 -2.4378 -1.8734 -1.8497 -1.8037 -1.7796 -1.2458 -1.2164 -1.2066 -1.1634 -0.1262 -0.1064 -0.0900 -0.0394 0.4244 0.4848 0.5472 0.5827 0.6499 0.7357 0.7573 0.8362 1.5020 1.5230 1.5323 1.5623 2.0854 2.1397 2.1634 2.1824 2.4440 2.4711 2.5523 2.5677 4.8783 4.9084 4.9154 4.9208 5.4767 5.4804 5.4964 5.5054 6.3891 6.3989 k = 0.2025 0.5144 0.1525 ( 10156 PWs) bands (ev): -12.7183 -12.7181 -12.7161 -12.7159 -12.0713 -12.0712 -12.0690 -12.0688 -10.5174 -10.5173 -10.5144 -10.5142 -8.0944 -8.0942 -8.0880 -8.0872 -2.4665 -2.4567 -2.4505 -2.4455 -1.8779 -1.8523 -1.8059 -1.7791 -1.2765 -1.2444 -1.2370 -1.1927 -0.1252 -0.1079 -0.0964 -0.0405 0.3985 0.4527 0.5372 0.5786 0.6414 0.7260 0.7636 0.8338 1.5130 1.5275 1.5463 1.5715 2.0720 2.1318 2.1524 2.1717 2.4230 2.4511 2.5298 2.5453 4.9117 4.9366 4.9440 4.9528 5.4692 5.4778 5.4888 5.5021 6.4213 6.4309 k = 0.2160 0.5144 0.1525 ( 10172 PWs) bands (ev): -12.7117 -12.7115 -12.7095 -12.7092 -12.0689 -12.0689 -12.0666 -12.0664 -10.5144 -10.5142 -10.5113 -10.5111 -8.1034 -8.1032 -8.0970 -8.0963 -2.4758 -2.4658 -2.4590 -2.4539 -1.8823 -1.8548 -1.8088 -1.7792 -1.3054 -1.2706 -1.2661 -1.2206 -0.1271 -0.1051 -0.1034 -0.0404 0.3702 0.4209 0.5235 0.5640 0.6434 0.7193 0.7690 0.8332 1.5182 1.5276 1.5586 1.5803 2.0586 2.1238 2.1441 2.1628 2.4021 2.4311 2.5065 2.5217 4.9442 4.9630 4.9712 4.9840 5.4619 5.4761 5.4810 5.4995 6.4546 6.4639 k = 0.2295 0.5144 0.1525 ( 10174 PWs) bands (ev): -12.7049 -12.7047 -12.7027 -12.7025 -12.0665 -12.0664 -12.0642 -12.0640 -10.5112 -10.5110 -10.5082 -10.5080 -8.1125 -8.1124 -8.1062 -8.1055 -2.4854 -2.4754 -2.4680 -2.4629 -1.8864 -1.8571 -1.8123 -1.7800 -1.3323 -1.2949 -1.2936 -1.2472 -0.1303 -0.1104 -0.0994 -0.0394 0.3404 0.3899 0.5069 0.5443 0.6502 0.7151 0.7735 0.8340 1.5176 1.5251 1.5672 1.5885 2.0452 2.1152 2.1386 2.1557 2.3815 2.4112 2.4829 2.4971 4.9754 4.9874 4.9963 5.0138 5.4551 5.4736 5.4756 5.4978 6.4885 6.4975 k = 0.2430 0.5144 0.1525 ( 10176 PWs) bands (ev): -12.6981 -12.6979 -12.6960 -12.6957 -12.0640 -12.0640 -12.0618 -12.0616 -10.5079 -10.5078 -10.5050 -10.5048 -8.1217 -8.1215 -8.1156 -8.1148 -2.4955 -2.4853 -2.4775 -2.4725 -1.8902 -1.8590 -1.8164 -1.7815 -1.3570 -1.3194 -1.3171 -1.2721 -0.1334 -0.1171 -0.0920 -0.0379 0.3098 0.3604 0.4885 0.5231 0.6584 0.7126 0.7770 0.8355 1.5120 1.5203 1.5717 1.5951 2.0316 2.1057 2.1355 2.1502 2.3616 2.3917 2.4597 2.4720 5.0047 5.0094 5.0188 5.0419 5.4491 5.4666 5.4765 5.4973 6.5225 6.5312 k = 0.2565 0.5144 0.1525 ( 10186 PWs) bands (ev): -12.6913 -12.6911 -12.6892 -12.6890 -12.0616 -12.0616 -12.0594 -12.0592 -10.5046 -10.5045 -10.5018 -10.5016 -8.1308 -8.1306 -8.1249 -8.1242 -2.5058 -2.4956 -2.4875 -2.4825 -1.8936 -1.8607 -1.8210 -1.7838 -1.3796 -1.3435 -1.3374 -1.2955 -0.1356 -0.1231 -0.0835 -0.0362 0.2791 0.3328 0.4691 0.5020 0.6664 0.7110 0.7798 0.8375 1.5025 1.5138 1.5720 1.5992 2.0180 2.0953 2.1342 2.1455 2.3426 2.3730 2.4374 2.4469 5.0287 5.0315 5.0383 5.0678 5.4441 5.4605 5.4789 5.4983 6.5562 6.5645 k = 0.2700 0.5144 0.1525 ( 10176 PWs) bands (ev): -12.6846 -12.6844 -12.6825 -12.6823 -12.0592 -12.0592 -12.0571 -12.0569 -10.5013 -10.5012 -10.4985 -10.4984 -8.1398 -8.1396 -8.1342 -8.1335 -2.5163 -2.5061 -2.4979 -2.4930 -1.8964 -1.8619 -1.8260 -1.7868 -1.3999 -1.3657 -1.3556 -1.3172 -0.1368 -0.1281 -0.0740 -0.0348 0.2487 0.3077 0.4494 0.4815 0.6738 0.7099 0.7819 0.8396 1.4898 1.5057 1.5682 1.6002 2.0045 2.0839 2.1336 2.1402 2.3252 2.3554 2.4168 2.4222 5.0451 5.0545 5.0553 5.0912 5.4406 5.4556 5.4828 5.5009 6.5892 6.5970 k = 0.2834 0.5144 0.1525 ( 10180 PWs) bands (ev): -12.6779 -12.6777 -12.6760 -12.6758 -12.0568 -12.0568 -12.0548 -12.0547 -10.4980 -10.4978 -10.4953 -10.4952 -8.1486 -8.1484 -8.1434 -8.1427 -2.5269 -2.5166 -2.5086 -2.5038 -1.8987 -1.8627 -1.8315 -1.7906 -1.4179 -1.3860 -1.3719 -1.3373 -0.1368 -0.1321 -0.0640 -0.0342 0.2192 0.2858 0.4302 0.4620 0.6804 0.7089 0.7834 0.8417 1.4749 1.4963 1.5605 1.5978 1.9912 2.0715 2.1327 2.1332 2.3098 2.3391 2.3984 2.3986 5.0586 5.0673 5.0758 5.1118 5.4386 5.4522 5.4883 5.5052 6.6211 6.6284 k = 0.2969 0.5144 0.1525 ( 10174 PWs) bands (ev): -12.6715 -12.6713 -12.6697 -12.6695 -12.0545 -12.0545 -12.0527 -12.0525 -10.4947 -10.4944 -10.4922 -10.4921 -8.1571 -8.1569 -8.1523 -8.1517 -2.5374 -2.5271 -2.5194 -2.5148 -1.9003 -1.8629 -1.8371 -1.7950 -1.4338 -1.4046 -1.3864 -1.3557 -0.1355 -0.1348 -0.0536 -0.0348 0.1911 0.2676 0.4118 0.4437 0.6861 0.7079 0.7844 0.8437 1.4582 1.4861 1.5495 1.5920 1.9778 2.0581 2.1232 2.1302 2.2971 2.3247 2.3769 2.3827 5.0692 5.0768 5.0925 5.1292 5.4385 5.4505 5.4949 5.5111 6.6515 6.6583 k = 0.3104 0.5144 0.1525 ( 10162 PWs) bands (ev): -12.6653 -12.6651 -12.6637 -12.6635 -12.0523 -12.0523 -12.0506 -12.0504 -10.4913 -10.4911 -10.4890 -10.4890 -8.1652 -8.1650 -8.1609 -8.1603 -2.5478 -2.5375 -2.5302 -2.5259 -1.9011 -1.8626 -1.8428 -1.8000 -1.4476 -1.4213 -1.3992 -1.3726 -0.1363 -0.1331 -0.0432 -0.0371 0.1651 0.2537 0.3948 0.4268 0.6910 0.7067 0.7850 0.8454 1.4404 1.4751 1.5355 1.5832 1.9644 2.0437 2.1093 2.1249 2.2875 2.3125 2.3575 2.3698 5.0770 5.0833 5.1055 5.1432 5.4403 5.4506 5.5025 5.5182 6.6802 6.6863 k = 0.3239 0.5144 0.1525 ( 10174 PWs) bands (ev): -12.6594 -12.6592 -12.6579 -12.6578 -12.0502 -12.0502 -12.0487 -12.0485 -10.4881 -10.4878 -10.4860 -10.4860 -8.1729 -8.1727 -8.1691 -8.1685 -2.5579 -2.5475 -2.5410 -2.5370 -1.9012 -1.8616 -1.8484 -1.8053 -1.4597 -1.4364 -1.4105 -1.3880 -0.1365 -0.1295 -0.0415 -0.0335 0.1418 0.2445 0.3796 0.4116 0.6951 0.7053 0.7851 0.8468 1.4217 1.4638 1.5191 1.5717 1.9507 2.0284 2.0912 2.1161 2.2811 2.3030 2.3408 2.3596 5.0821 5.0876 5.1148 5.1540 5.4438 5.4523 5.5105 5.5262 6.7068 6.7124 k = 0.3374 0.5144 0.1525 ( 10166 PWs) bands (ev): -12.6539 -12.6537 -12.6526 -12.6524 -12.0482 -12.0481 -12.0468 -12.0467 -10.4849 -10.4846 -10.4830 -10.4830 -8.1801 -8.1798 -8.1768 -8.1763 -2.5677 -2.5572 -2.5515 -2.5479 -1.9006 -1.8600 -1.8537 -1.8108 -1.4700 -1.4497 -1.4204 -1.4020 -0.1355 -0.1251 -0.0478 -0.0254 0.1224 0.2400 0.3666 0.3982 0.6984 0.7037 0.7849 0.8476 1.4027 1.4523 1.5009 1.5581 1.9367 2.0125 2.0695 2.1034 2.2774 2.2962 2.3268 2.3515 5.0844 5.0903 5.1208 5.1617 5.4486 5.4553 5.5185 5.5346 6.7313 6.7364 k = 0.3509 0.5144 0.1525 ( 10170 PWs) bands (ev): -12.6488 -12.6486 -12.6477 -12.6475 -12.0463 -12.0463 -12.0452 -12.0451 -10.4818 -10.4815 -10.4801 -10.4801 -8.1867 -8.1863 -8.1839 -8.1835 -2.5769 -2.5664 -2.5616 -2.5585 -1.8991 -1.8586 -1.8577 -1.8163 -1.4790 -1.4614 -1.4291 -1.4146 -0.1334 -0.1201 -0.0558 -0.0199 0.1082 0.2399 0.3562 0.3868 0.7010 0.7017 0.7843 0.8479 1.3836 1.4408 1.4814 1.5428 1.9223 1.9964 2.0450 2.0872 2.2755 2.2918 2.3153 2.3451 5.0844 5.0920 5.1240 5.1667 5.4543 5.4594 5.5261 5.5430 6.7535 6.7580 k = 0.3644 0.5144 0.1525 ( 10176 PWs) bands (ev): -12.6441 -12.6440 -12.6433 -12.6431 -12.0446 -12.0446 -12.0437 -12.0436 -10.4788 -10.4784 -10.4774 -10.4772 -8.1926 -8.1922 -8.1903 -8.1900 -2.5856 -2.5749 -2.5711 -2.5686 -1.8970 -1.8627 -1.8549 -1.8215 -1.4868 -1.4714 -1.4367 -1.4261 -0.1304 -0.1150 -0.0647 -0.0179 0.1004 0.2435 0.3487 0.3779 0.6994 0.7027 0.7832 0.8475 1.3646 1.4295 1.4610 1.5264 1.9076 1.9804 2.0187 2.0684 2.2748 2.2893 2.3059 2.3400 5.0828 5.0929 5.1247 5.1695 5.4599 5.4644 5.5328 5.5509 6.7734 6.7773 k = 0.3779 0.5144 0.1525 ( 10180 PWs) bands (ev): -12.6401 -12.6399 -12.6394 -12.6393 -12.0431 -12.0430 -12.0424 -12.0423 -10.4759 -10.4755 -10.4747 -10.4745 -8.1977 -8.1973 -8.1960 -8.1958 -2.5937 -2.5827 -2.5799 -2.5781 -1.8944 -1.8659 -1.8516 -1.8260 -1.4938 -1.4799 -1.4433 -1.4364 -0.1268 -0.1104 -0.0738 -0.0194 0.0993 0.2501 0.3444 0.3715 0.6967 0.7037 0.7818 0.8463 1.3460 1.4186 1.4402 1.5092 1.8927 1.9648 1.9915 2.0480 2.2745 2.2880 2.2980 2.3357 5.0800 5.0931 5.1237 5.1706 5.4646 5.4700 5.5383 5.5578 6.7908 6.7943 k = 0.3914 0.5144 0.1525 ( 10180 PWs) bands (ev): -12.6366 -12.6364 -12.6362 -12.6360 -12.0418 -12.0417 -12.0412 -12.0411 -10.4732 -10.4727 -10.4722 -10.4719 -8.2022 -8.2016 -8.2009 -8.2007 -2.6010 -2.5897 -2.5878 -2.5868 -1.8917 -1.8676 -1.8484 -1.8293 -1.5000 -1.4868 -1.4491 -1.4458 -0.1234 -0.1070 -0.0817 -0.0228 0.1038 0.2587 0.3434 0.3682 0.6936 0.7038 0.7798 0.8442 1.3281 1.4081 1.4195 1.4919 1.8779 1.9500 1.9641 2.0271 2.2742 2.2872 2.2912 2.3317 5.0765 5.0928 5.1214 5.1704 5.4681 5.4757 5.5424 5.5635 6.8059 6.8088 k = 0.4049 0.5144 0.1525 ( 10176 PWs) bands (ev): -12.6339 -12.6336 -12.6336 -12.6333 -12.0408 -12.0407 -12.0402 -12.0402 -10.4706 -10.4701 -10.4697 -10.4694 -8.2058 -8.2052 -8.2047 -8.2047 -2.6075 -2.5961 -2.5946 -2.5943 -1.8893 -1.8672 -1.8463 -1.8302 -1.5057 -1.4923 -1.4542 -1.4541 -0.1215 -0.1053 -0.0867 -0.0259 0.1125 0.2684 0.3459 0.3682 0.6900 0.7031 0.7773 0.8411 1.3111 1.3969 1.4007 1.4745 1.8633 1.9355 1.9378 2.0063 2.2736 2.2851 2.2865 2.3278 5.0727 5.0922 5.1181 5.1693 5.4704 5.4808 5.5448 5.5677 6.8183 6.8187 k = 0.4049 0.5144 0.1525 ( 10176 PWs) bands (ev): -12.6339 -12.6336 -12.6336 -12.6333 -12.0408 -12.0407 -12.0402 -12.0402 -10.4706 -10.4701 -10.4697 -10.4694 -8.2058 -8.2052 -8.2047 -8.2047 -2.6075 -2.5961 -2.5946 -2.5943 -1.8893 -1.8672 -1.8463 -1.8302 -1.5057 -1.4923 -1.4542 -1.4541 -0.1215 -0.1053 -0.0867 -0.0259 0.1125 0.2684 0.3459 0.3682 0.6900 0.7031 0.7773 0.8411 1.3111 1.3969 1.4007 1.4745 1.8633 1.9355 1.9378 2.0063 2.2736 2.2851 2.2865 2.3278 5.0727 5.0922 5.1181 5.1693 5.4704 5.4808 5.5448 5.5677 6.8183 6.8187 k = 0.3965 0.5037 0.1525 ( 10188 PWs) bands (ev): -12.6380 -12.6377 -12.6377 -12.6374 -12.0423 -12.0422 -12.0418 -12.0417 -10.4747 -10.4742 -10.4738 -10.4735 -8.2002 -8.1996 -8.1990 -8.1989 -2.5972 -2.5855 -2.5840 -2.5831 -1.8921 -1.8693 -1.8479 -1.8310 -1.4967 -1.4844 -1.4446 -1.4431 -0.1228 -0.1071 -0.0827 -0.0251 0.1001 0.2542 0.3412 0.3666 0.6961 0.7049 0.7810 0.8467 1.3385 1.4202 1.4251 1.5024 1.8863 1.9649 1.9737 2.0392 2.2755 2.2892 2.2955 2.3350 5.0800 5.0941 5.1247 5.1722 5.4666 5.4721 5.5409 5.5608 6.8033 6.8040 k = 0.3881 0.4929 0.1525 ( 10182 PWs) bands (ev): -12.6426 -12.6423 -12.6422 -12.6420 -12.0440 -12.0439 -12.0435 -12.0435 -10.4790 -10.4784 -10.4779 -10.4777 -8.1940 -8.1933 -8.1928 -8.1927 -2.5860 -2.5741 -2.5726 -2.5712 -1.8939 -1.8704 -1.8486 -1.8311 -1.4875 -1.4767 -1.4353 -1.4322 -0.1241 -0.1099 -0.0802 -0.0313 0.0975 0.2446 0.3404 0.3677 0.7017 0.7063 0.7830 0.8514 1.3666 1.4426 1.4497 1.5296 1.9081 1.9939 2.0095 2.0702 2.2785 2.2947 2.3088 2.3441 5.0889 5.0974 5.1326 5.1762 5.4606 5.4611 5.5341 5.5511 6.7869 6.7879 k = 0.3796 0.4822 0.1525 ( 10190 PWs) bands (ev): -12.6476 -12.6473 -12.6472 -12.6470 -12.0459 -12.0457 -12.0454 -12.0453 -10.4833 -10.4828 -10.4822 -10.4819 -8.1872 -8.1866 -8.1859 -8.1858 -2.5741 -2.5619 -2.5606 -2.5585 -1.8946 -1.8704 -1.8483 -1.8302 -1.4782 -1.4692 -1.4264 -1.4215 -0.1251 -0.1132 -0.0793 -0.0432 0.1036 0.2401 0.3433 0.3716 0.7069 0.7072 0.7833 0.8550 1.3952 1.4641 1.4743 1.5558 1.9285 2.0219 2.0442 2.0977 2.2837 2.3044 2.3254 2.3555 5.0990 5.1018 5.1415 5.1808 5.4478 5.4525 5.5245 5.5385 6.7691 6.7705 k = 0.3712 0.4715 0.1525 ( 10190 PWs) bands (ev): -12.6530 -12.6528 -12.6527 -12.6524 -12.0478 -12.0477 -12.0474 -12.0473 -10.4876 -10.4871 -10.4864 -10.4862 -8.1799 -8.1792 -8.1786 -8.1784 -2.5613 -2.5490 -2.5478 -2.5451 -1.8940 -1.8691 -1.8470 -1.8283 -1.4689 -1.4620 -1.4179 -1.4110 -0.1256 -0.1165 -0.0797 -0.0578 0.1155 0.2405 0.3496 0.3781 0.7073 0.7115 0.7817 0.8576 1.4239 1.4845 1.4986 1.5804 1.9472 2.0480 2.0764 2.1202 2.2921 2.3197 2.3453 2.3697 5.1067 5.1098 5.1509 5.1856 5.4323 5.4425 5.5125 5.5232 6.7499 6.7517 k = 0.3627 0.4608 0.1525 ( 10190 PWs) bands (ev): -12.6590 -12.6588 -12.6586 -12.6584 -12.0499 -12.0498 -12.0495 -12.0495 -10.4918 -10.4914 -10.4906 -10.4905 -8.1719 -8.1713 -8.1706 -8.1704 -2.5478 -2.5354 -2.5343 -2.5310 -1.8921 -1.8665 -1.8444 -1.8253 -1.4597 -1.4552 -1.4098 -1.4009 -0.1251 -0.1193 -0.0810 -0.0725 0.1308 0.2456 0.3587 0.3872 0.7064 0.7154 0.7783 0.8590 1.4523 1.5036 1.5225 1.6030 1.9647 2.0718 2.1046 2.1370 2.3050 2.3412 2.3684 2.3869 5.1116 5.1209 5.1605 5.1896 5.4147 5.4311 5.4981 5.5055 6.7294 6.7318 k = 0.3543 0.4501 0.1525 ( 10174 PWs) bands (ev): -12.6654 -12.6652 -12.6650 -12.6648 -12.0522 -12.0521 -12.0518 -12.0518 -10.4960 -10.4956 -10.4948 -10.4946 -8.1634 -8.1628 -8.1620 -8.1618 -2.5336 -2.5211 -2.5203 -2.5164 -1.8889 -1.8625 -1.8405 -1.8210 -1.4505 -1.4487 -1.4023 -1.3913 -0.1233 -0.1211 -0.0858 -0.0825 0.1482 0.2547 0.3703 0.3985 0.7045 0.7186 0.7731 0.8593 1.4800 1.5212 1.5456 1.6229 1.9816 2.0933 2.1277 2.1489 2.3234 2.3682 2.3944 2.4072 5.1157 5.1316 5.1695 5.1922 5.3954 5.4187 5.4819 5.4856 6.7076 6.7106 k = 0.3459 0.4394 0.1525 ( 10156 PWs) bands (ev): -12.6723 -12.6721 -12.6718 -12.6717 -12.0546 -12.0544 -12.0542 -12.0542 -10.5001 -10.4997 -10.4988 -10.4987 -8.1543 -8.1537 -8.1529 -8.1526 -2.5187 -2.5061 -2.5056 -2.5011 -1.8842 -1.8571 -1.8354 -1.8153 -1.4426 -1.4414 -1.3952 -1.3820 -0.1214 -0.1198 -0.0967 -0.0835 0.1666 0.2673 0.3838 0.4118 0.7015 0.7211 0.7661 0.8585 1.5066 1.5372 1.5677 1.6395 1.9987 2.1126 2.1459 2.1573 2.3471 2.3991 2.4226 2.4302 5.1183 5.1412 5.1772 5.1924 5.3748 5.4061 5.4640 5.4643 6.6846 6.6882 k = 0.3374 0.4286 0.1525 ( 10148 PWs) bands (ev): -12.6796 -12.6795 -12.6792 -12.6790 -12.0571 -12.0570 -12.0568 -12.0568 -10.5040 -10.5037 -10.5027 -10.5026 -8.1446 -8.1440 -8.1431 -8.1428 -2.5032 -2.4906 -2.4904 -2.4853 -1.8781 -1.8501 -1.8288 -1.8084 -1.4368 -1.4324 -1.3885 -1.3732 -0.1199 -0.1144 -0.1048 -0.0834 0.1856 0.2825 0.3986 0.4268 0.6974 0.7231 0.7576 0.8566 1.5315 1.5513 1.5883 1.6522 2.0169 2.1303 2.1602 2.1641 2.3750 2.4321 2.4522 2.4552 5.1187 5.1489 5.1828 5.1892 5.3535 5.3938 5.4411 5.4457 6.6605 6.6642 k = 0.3290 0.4179 0.1525 ( 10156 PWs) bands (ev): -12.6875 -12.6874 -12.6870 -12.6869 -12.0598 -12.0596 -12.0595 -12.0595 -10.5078 -10.5074 -10.5064 -10.5063 -8.1342 -8.1337 -8.1327 -8.1324 -2.4872 -2.4748 -2.4745 -2.4690 -1.8705 -1.8416 -1.8210 -1.8001 -1.4310 -1.4233 -1.3820 -1.3647 -0.1163 -0.1097 -0.1069 -0.0817 0.2047 0.2999 0.4143 0.4431 0.6923 0.7245 0.7476 0.8538 1.5542 1.5632 1.6070 1.6608 2.0369 2.1470 2.1707 2.1723 2.4054 2.4657 2.4814 2.4825 5.1161 5.1540 5.1819 5.1850 5.3325 5.3824 5.4176 5.4269 6.6352 6.6391 k = 0.3206 0.4072 0.1525 ( 10168 PWs) bands (ev): -12.6958 -12.6957 -12.6953 -12.6952 -12.0626 -12.0625 -12.0624 -12.0624 -10.5112 -10.5110 -10.5098 -10.5098 -8.1233 -8.1227 -8.1218 -8.1214 -2.4705 -2.4587 -2.4579 -2.4523 -1.8616 -1.8316 -1.8117 -1.7905 -1.4253 -1.4140 -1.3756 -1.3566 -0.1112 -0.1104 -0.0971 -0.0780 0.2235 0.3188 0.4303 0.4604 0.6864 0.7258 0.7364 0.8503 1.5728 1.5742 1.6234 1.6651 2.0592 2.1635 2.1785 2.1837 2.4366 2.4988 2.5079 2.5127 5.1098 5.1555 5.1702 5.1825 5.3128 5.3720 5.3941 5.4081 6.6089 6.6129 k = 0.3121 0.3965 0.1525 ( 10168 PWs) bands (ev): -12.7045 -12.7045 -12.7040 -12.7040 -12.0656 -12.0654 -12.0654 -12.0654 -10.5145 -10.5142 -10.5130 -10.5130 -8.1117 -8.1112 -8.1102 -8.1098 -2.4534 -2.4422 -2.4409 -2.4353 -1.8512 -1.8200 -1.8012 -1.7795 -1.4193 -1.4043 -1.3692 -1.3486 -0.1094 -0.1021 -0.0851 -0.0720 0.2416 0.3386 0.4460 0.4781 0.6800 0.7242 0.7273 0.8463 1.5800 1.5910 1.6372 1.6652 2.0837 2.1803 2.1882 2.1956 2.4674 2.5305 2.5338 2.5421 5.0994 5.1526 5.1541 5.1741 5.2956 5.3624 5.3714 5.3897 6.5815 6.5857 k = 0.3037 0.3858 0.1525 ( 10156 PWs) bands (ev): -12.7137 -12.7137 -12.7132 -12.7132 -12.0687 -12.0686 -12.0686 -12.0685 -10.5174 -10.5172 -10.5160 -10.5159 -8.0996 -8.0991 -8.0980 -8.0976 -2.4359 -2.4254 -2.4236 -2.4179 -1.8394 -1.8069 -1.7894 -1.7673 -1.4129 -1.3942 -1.3626 -1.3406 -0.1041 -0.0915 -0.0708 -0.0636 0.2589 0.3589 0.4609 0.4956 0.6737 0.7115 0.7294 0.8422 1.5845 1.6042 1.6481 1.6617 2.1104 2.1979 2.2004 2.2089 2.4966 2.5583 2.5600 2.5699 5.0848 5.1341 5.1447 5.1593 5.2812 5.3501 5.3530 5.3719 6.5533 6.5574 k = 0.2953 0.3751 0.1525 ( 10160 PWs) bands (ev): -12.7234 -12.7233 -12.7228 -12.7228 -12.0720 -12.0719 -12.0719 -12.0718 -10.5200 -10.5199 -10.5186 -10.5185 -8.0869 -8.0864 -8.0853 -8.0848 -2.4180 -2.4083 -2.4059 -2.4002 -1.8263 -1.7923 -1.7764 -1.7539 -1.4059 -1.3832 -1.3554 -1.3325 -0.0956 -0.0786 -0.0543 -0.0528 0.2749 0.3790 0.4743 0.5120 0.6684 0.6986 0.7326 0.8384 1.5866 1.6136 1.6549 1.6558 2.1387 2.2152 2.2164 2.2239 2.5236 2.5809 2.5868 2.5958 5.0660 5.1110 5.1313 5.1388 5.2688 5.3304 5.3431 5.3544 6.5241 6.5281 k = 0.2868 0.3644 0.1525 ( 10170 PWs) bands (ev): -12.7334 -12.7334 -12.7329 -12.7329 -12.0754 -12.0753 -12.0753 -12.0752 -10.5223 -10.5222 -10.5209 -10.5207 -8.0735 -8.0731 -8.0719 -8.0714 -2.3998 -2.3910 -2.3879 -2.3823 -1.8119 -1.7763 -1.7622 -1.7394 -1.3979 -1.3714 -1.3475 -1.3239 -0.0839 -0.0636 -0.0395 -0.0357 0.2893 0.3983 0.4857 0.5260 0.6653 0.6864 0.7375 0.8350 1.5861 1.6192 1.6453 1.6604 2.1682 2.2328 2.2358 2.2407 2.5479 2.6009 2.6104 2.6191 5.0437 5.0855 5.1129 5.1141 5.2570 5.3122 5.3319 5.3370 6.4942 6.4979 k = 0.2784 0.3536 0.1525 ( 10154 PWs) bands (ev): -12.7438 -12.7438 -12.7433 -12.7433 -12.0789 -12.0789 -12.0789 -12.0787 -10.5242 -10.5242 -10.5229 -10.5227 -8.0597 -8.0593 -8.0581 -8.0575 -2.3814 -2.3736 -2.3697 -2.3643 -1.7963 -1.7590 -1.7471 -1.7238 -1.3887 -1.3583 -1.3386 -1.3147 -0.0692 -0.0467 -0.0240 -0.0152 0.3018 0.4159 0.4947 0.5360 0.6661 0.6755 0.7447 0.8326 1.5831 1.6211 1.6335 1.6618 2.1981 2.2528 2.2561 2.2592 2.5690 2.6180 2.6305 2.6397 5.0184 5.0582 5.0866 5.0902 5.2444 5.2949 5.3190 5.3191 6.4634 6.4667 k = 0.2700 0.3429 0.1525 ( 10146 PWs) bands (ev): -12.7546 -12.7545 -12.7541 -12.7540 -12.0826 -12.0826 -12.0826 -12.0824 -10.5258 -10.5258 -10.5245 -10.5242 -8.0453 -8.0449 -8.0437 -8.0431 -2.3628 -2.3561 -2.3515 -2.3462 -1.7796 -1.7403 -1.7310 -1.7073 -1.3782 -1.3439 -1.3286 -1.3046 -0.0518 -0.0281 -0.0064 0.0070 0.3123 0.4309 0.5011 0.5407 0.6671 0.6722 0.7543 0.8314 1.5780 1.6195 1.6198 1.6604 2.2279 2.2746 2.2768 2.2790 2.5867 2.6320 2.6470 2.6573 4.9906 5.0296 5.0573 5.0640 5.2303 5.2776 5.3003 5.3039 6.4319 6.4347 k = 0.2615 0.3322 0.1525 ( 10150 PWs) bands (ev): -12.7657 -12.7656 -12.7651 -12.7651 -12.0864 -12.0864 -12.0864 -12.0862 -10.5271 -10.5270 -10.5257 -10.5254 -8.0304 -8.0300 -8.0288 -8.0282 -2.3441 -2.3385 -2.3331 -2.3281 -1.7618 -1.7205 -1.7140 -1.6899 -1.3660 -1.3278 -1.3171 -1.2935 -0.0319 -0.0081 0.0132 0.0305 0.3206 0.4421 0.5050 0.5402 0.6624 0.6837 0.7664 0.8318 1.5708 1.6046 1.6149 1.6561 2.2569 2.2975 2.2977 2.2995 2.6011 2.6428 2.6596 2.6717 4.9612 5.0001 5.0269 5.0354 5.2140 5.2597 5.2802 5.2865 6.3997 6.4018 k = 0.2531 0.3215 0.1525 ( 10150 PWs) bands (ev): -12.7770 -12.7769 -12.7765 -12.7764 -12.0904 -12.0904 -12.0903 -12.0901 -10.5280 -10.5279 -10.5266 -10.5263 -8.0150 -8.0147 -8.0134 -8.0128 -2.3253 -2.3210 -2.3148 -2.3100 -1.7430 -1.6996 -1.6963 -1.6717 -1.3520 -1.3101 -1.3041 -1.2811 -0.0099 0.0129 0.0344 0.0551 0.3267 0.4487 0.5068 0.5357 0.6624 0.6995 0.7810 0.8338 1.5617 1.5882 1.6075 1.6495 2.2843 2.3177 2.3200 2.3213 2.6122 2.6505 2.6684 2.6830 4.9307 4.9701 4.9958 5.0053 5.1954 5.2405 5.2586 5.2666 6.3670 6.3681 k = 0.2446 0.3108 0.1525 ( 10138 PWs) bands (ev): -12.7886 -12.7885 -12.7881 -12.7880 -12.0945 -12.0944 -12.0943 -12.0941 -10.5285 -10.5284 -10.5271 -10.5268 -7.9992 -7.9989 -7.9976 -7.9969 -2.3065 -2.3035 -2.2966 -2.2919 -1.7233 -1.6778 -1.6777 -1.6528 -1.3361 -1.2905 -1.2893 -1.2673 0.0140 0.0344 0.0569 0.0804 0.3306 0.4504 0.5071 0.5289 0.6676 0.7183 0.7974 0.8377 1.5509 1.5706 1.5976 1.6406 2.3095 2.3366 2.3396 2.3446 2.6203 2.6552 2.6736 2.6914 4.8996 4.9399 4.9645 4.9741 5.1744 5.2198 5.2352 5.2443 6.3336 6.3337 k = 0.2362 0.3001 0.1525 ( 10140 PWs) bands (ev): -12.8004 -12.8003 -12.7999 -12.7997 -12.0986 -12.0986 -12.0985 -12.0983 -10.5287 -10.5285 -10.5273 -10.5270 -7.9830 -7.9827 -7.9814 -7.9807 -2.2878 -2.2861 -2.2784 -2.2740 -1.7026 -1.6588 -1.6549 -1.6331 -1.3183 -1.2727 -1.2690 -1.2518 0.0395 0.0562 0.0804 0.1058 0.3325 0.4477 0.5067 0.5212 0.6776 0.7388 0.8154 0.8433 1.5385 1.5522 1.5857 1.6298 2.3317 2.3534 2.3575 2.3667 2.6259 2.6574 2.6755 2.6974 4.8684 4.9097 4.9330 4.9425 5.1512 5.1975 5.2100 5.2198 6.2987 6.2998 k = 0.2278 0.2893 0.1525 ( 10128 PWs) bands (ev): -12.8123 -12.8122 -12.8118 -12.8117 -12.1029 -12.1029 -12.1027 -12.1025 -10.5286 -10.5284 -10.5272 -10.5268 -7.9664 -7.9662 -7.9648 -7.9641 -2.2692 -2.2689 -2.2605 -2.2562 -1.6812 -1.6391 -1.6314 -1.6128 -1.2983 -1.2542 -1.2456 -1.2346 0.0660 0.0777 0.1045 0.1311 0.3329 0.4420 0.5063 0.5139 0.6914 0.7603 0.8345 0.8505 1.5249 1.5331 1.5719 1.6172 2.3501 2.3673 2.3725 2.3867 2.6297 2.6578 2.6748 2.7012 4.8374 4.8795 4.9016 4.9108 5.1260 5.1735 5.1831 5.1931 6.2630 6.2655 k = 0.2193 0.2786 0.1525 ( 10126 PWs) bands (ev): -12.8244 -12.8242 -12.8238 -12.8237 -12.1073 -12.1072 -12.1070 -12.1068 -10.5281 -10.5279 -10.5267 -10.5263 -7.9495 -7.9494 -7.9479 -7.9473 -2.2518 -2.2507 -2.2428 -2.2385 -1.6591 -1.6189 -1.6073 -1.5918 -1.2764 -1.2338 -1.2203 -1.2156 0.0931 0.0984 0.1285 0.1554 0.3323 0.4348 0.5066 0.5077 0.7080 0.7823 0.8542 0.8590 1.5100 1.5133 1.5566 1.6032 2.3638 2.3772 2.3836 2.4034 2.6327 2.6570 2.6719 2.7036 4.8069 4.8497 4.8704 4.8792 5.0991 5.1479 5.1545 5.1645 6.2269 6.2310 k = 0.2109 0.2679 0.1525 ( 10116 PWs) bands (ev): -12.8364 -12.8363 -12.8359 -12.8358 -12.1117 -12.1116 -12.1114 -12.1112 -10.5274 -10.5270 -10.5260 -10.5255 -7.9324 -7.9323 -7.9308 -7.9302 -2.2350 -2.2325 -2.2253 -2.2211 -1.6362 -1.5981 -1.5828 -1.5702 -1.2525 -1.2115 -1.1946 -1.1932 0.1178 0.1203 0.1519 0.1784 0.3315 0.4274 0.5037 0.5084 0.7263 0.8043 0.8686 0.8742 1.4931 1.4941 1.5399 1.5878 2.3723 2.3824 2.3898 2.4159 2.6355 2.6559 2.6680 2.7050 4.7773 4.8203 4.8395 4.8481 5.0707 5.1210 5.1246 5.1343 6.1905 6.1962 k = 0.2025 0.2572 0.1525 ( 10120 PWs) bands (ev): -12.8485 -12.8484 -12.8480 -12.8478 -12.1161 -12.1161 -12.1158 -12.1156 -10.5263 -10.5259 -10.5249 -10.5244 -7.9151 -7.9150 -7.9135 -7.9128 -2.2184 -2.2144 -2.2081 -2.2039 -1.6127 -1.5770 -1.5579 -1.5480 -1.2267 -1.1873 -1.1718 -1.1645 0.1356 0.1468 0.1740 0.1994 0.3313 0.4214 0.5024 0.5120 0.7456 0.8261 0.8789 0.8941 1.4723 1.4773 1.5220 1.5712 2.3750 2.3820 2.3904 2.4229 2.6389 2.6550 2.6640 2.7060 4.7487 4.7915 4.8090 4.8175 5.0413 5.0930 5.0934 5.1027 6.1538 6.1613 k = 0.1940 0.2465 0.1525 ( 10112 PWs) bands (ev): -12.8606 -12.8604 -12.8601 -12.8599 -12.1206 -12.1206 -12.1203 -12.1201 -10.5250 -10.5246 -10.5236 -10.5231 -7.8976 -7.8976 -7.8961 -7.8954 -2.2020 -2.1966 -2.1912 -2.1869 -1.5887 -1.5554 -1.5329 -1.5253 -1.1992 -1.1614 -1.1471 -1.1343 0.1515 0.1714 0.1939 0.2178 0.3330 0.4178 0.5043 0.5180 0.7652 0.8476 0.8896 0.9137 1.4513 1.4598 1.5032 1.5537 2.3717 2.3759 2.3851 2.4237 2.6431 2.6548 2.6607 2.7069 4.7213 4.7635 4.7790 4.7876 5.0111 5.0613 5.0643 5.0701 6.1170 6.1263 k = 0.1856 0.2358 0.1525 ( 10124 PWs) bands (ev): -12.8725 -12.8723 -12.8721 -12.8719 -12.1252 -12.1251 -12.1248 -12.1246 -10.5234 -10.5230 -10.5221 -10.5216 -7.8801 -7.8801 -7.8787 -7.8779 -2.1859 -2.1790 -2.1747 -2.1701 -1.5642 -1.5334 -1.5079 -1.5021 -1.1701 -1.1338 -1.1206 -1.1027 0.1654 0.1929 0.2108 0.2336 0.3380 0.4177 0.5095 0.5264 0.7849 0.8684 0.9002 0.9328 1.4301 1.4418 1.4835 1.5353 2.3625 2.3639 2.3741 2.4178 2.6480 2.6553 2.6587 2.7076 4.6953 4.7364 4.7497 4.7584 4.9806 5.0286 5.0353 5.0367 6.0802 6.0914 k = 0.1772 0.2250 0.1525 ( 10132 PWs) bands (ev): -12.8844 -12.8842 -12.8839 -12.8837 -12.1297 -12.1296 -12.1293 -12.1290 -10.5217 -10.5212 -10.5203 -10.5198 -7.8627 -7.8626 -7.8612 -7.8604 -2.1701 -2.1618 -2.1585 -2.1536 -1.5393 -1.5113 -1.4830 -1.4786 -1.1395 -1.1047 -1.0922 -1.0699 0.1773 0.2099 0.2241 0.2467 0.3478 0.4219 0.5180 0.5369 0.8042 0.8885 0.9104 0.9509 1.4088 1.4234 1.4632 1.5164 2.3467 2.3479 2.3582 2.4055 2.6531 2.6561 2.6578 2.7081 4.6707 4.7104 4.7210 4.7300 4.9502 4.9957 5.0030 5.0062 6.0436 6.0567 k = 0.1687 0.2143 0.1525 ( 10130 PWs) bands (ev): -12.8960 -12.8958 -12.8955 -12.8953 -12.1342 -12.1341 -12.1338 -12.1335 -10.5197 -10.5192 -10.5184 -10.5179 -7.8452 -7.8451 -7.8438 -7.8430 -2.1545 -2.1447 -2.1426 -2.1373 -1.5142 -1.4890 -1.4586 -1.4549 -1.1077 -1.0743 -1.0622 -1.0362 0.1876 0.2219 0.2337 0.2575 0.3628 0.4303 0.5289 0.5493 0.8231 0.9078 0.9199 0.9681 1.3876 1.4049 1.4425 1.4970 2.3250 2.3285 2.3380 2.3875 2.6568 2.6576 2.6579 2.7078 4.6475 4.6854 4.6930 4.7023 4.9204 4.9630 4.9692 4.9776 6.0073 6.0223 k = 0.1603 0.2036 0.1525 ( 10106 PWs) bands (ev): -12.9074 -12.9072 -12.9069 -12.9067 -12.1386 -12.1386 -12.1382 -12.1380 -10.5177 -10.5171 -10.5164 -10.5158 -7.8280 -7.8278 -7.8266 -7.8258 -2.1391 -2.1280 -2.1271 -2.1212 -1.4890 -1.4667 -1.4346 -1.4310 -1.0747 -1.0426 -1.0307 -1.0017 0.1967 0.2297 0.2404 0.2668 0.3824 0.4424 0.5415 0.5628 0.8412 0.9262 0.9284 0.9840 1.3668 1.3867 1.4215 1.4776 2.2996 2.3051 2.3145 2.3648 2.6568 2.6574 2.6618 2.7066 4.6256 4.6618 4.6658 4.6753 4.8916 4.9307 4.9356 4.9499 5.9715 5.9883 k = 0.1518 0.1929 0.1525 ( 10106 PWs) bands (ev): -12.9185 -12.9183 -12.9181 -12.9178 -12.1430 -12.1430 -12.1426 -12.1423 -10.5154 -10.5149 -10.5142 -10.5136 -7.8110 -7.8107 -7.8096 -7.8088 -2.1241 -2.1120 -2.1116 -2.1054 -1.4638 -1.4446 -1.4114 -1.4072 -1.0408 -1.0100 -0.9977 -0.9666 0.2050 0.2347 0.2450 0.2752 0.4051 0.4568 0.5547 0.5767 0.8585 0.9355 0.9434 0.9986 1.3466 1.3691 1.4005 1.4583 2.2712 2.2786 2.2884 2.3386 2.6558 2.6567 2.6644 2.7042 4.6050 4.6392 4.6394 4.6488 4.8641 4.8995 4.9027 4.9234 5.9363 5.9548 k = 0.1434 0.1822 0.1525 ( 10110 PWs) bands (ev): -12.9293 -12.9291 -12.9289 -12.9286 -12.1473 -12.1473 -12.1468 -12.1466 -10.5132 -10.5126 -10.5120 -10.5113 -7.7942 -7.7940 -7.7929 -7.7921 -2.1093 -2.0973 -2.0955 -2.0900 -1.4388 -1.4228 -1.3890 -1.3837 -1.0061 -0.9766 -0.9634 -0.9311 0.2130 0.2383 0.2486 0.2836 0.4292 0.4725 0.5673 0.5902 0.8748 0.9410 0.9595 1.0117 1.3273 1.3523 1.3798 1.4394 2.2406 2.2495 2.2603 2.3096 2.6535 2.6548 2.6655 2.7003 4.5855 4.6133 4.6182 4.6229 4.8385 4.8696 4.8708 4.8985 5.9019 5.9212 k = 0.1350 0.1715 0.1525 ( 10122 PWs) bands (ev): -12.9397 -12.9395 -12.9393 -12.9391 -12.1515 -12.1515 -12.1510 -12.1508 -10.5108 -10.5102 -10.5096 -10.5090 -7.7779 -7.7776 -7.7766 -7.7758 -2.0949 -2.0830 -2.0798 -2.0748 -1.4141 -1.4015 -1.3677 -1.3607 -0.9707 -0.9424 -0.9281 -0.8954 0.2212 0.2414 0.2520 0.2923 0.4538 0.4884 0.5785 0.6024 0.8901 0.9448 0.9743 1.0233 1.3093 1.3369 1.3596 1.4213 2.2084 2.2187 2.2308 2.2786 2.6497 2.6517 2.6649 2.6949 4.5668 4.5880 4.5974 4.5983 4.8150 4.8402 4.8415 4.8756 5.8683 5.8882 k = 0.1265 0.1607 0.1525 ( 10124 PWs) bands (ev): -12.9497 -12.9495 -12.9494 -12.9491 -12.1556 -12.1556 -12.1551 -12.1549 -10.5084 -10.5078 -10.5073 -10.5067 -7.7620 -7.7617 -7.7607 -7.7599 -2.0808 -2.0691 -2.0645 -2.0600 -1.3900 -1.3809 -1.3475 -1.3382 -0.9348 -0.9079 -0.8919 -0.8597 0.2299 0.2446 0.2558 0.3019 0.4779 0.5037 0.5873 0.6125 0.9043 0.9468 0.9875 1.0333 1.2930 1.3231 1.3402 1.4043 2.1752 2.1867 2.2005 2.2463 2.6445 2.6471 2.6626 2.6880 4.5490 4.5634 4.5724 4.5795 4.7938 4.8112 4.8153 4.8546 5.8359 5.8562 k = 0.1181 0.1500 0.1525 ( 10128 PWs) bands (ev): -12.9593 -12.9590 -12.9589 -12.9587 -12.1595 -12.1595 -12.1590 -12.1588 -10.5060 -10.5054 -10.5050 -10.5043 -7.7467 -7.7463 -7.7455 -7.7447 -2.0672 -2.0558 -2.0496 -2.0457 -1.3665 -1.3611 -1.3286 -1.3167 -0.8985 -0.8730 -0.8551 -0.8242 0.2393 0.2482 0.2601 0.3125 0.5010 0.5179 0.5933 0.6198 0.9174 0.9469 0.9991 1.0418 1.2788 1.3112 1.3220 1.3886 2.1415 2.1542 2.1696 2.2133 2.6379 2.6412 2.6587 2.6799 4.5317 4.5395 4.5480 4.5618 4.7751 4.7841 4.7915 4.8357 5.8046 5.8253 k = 0.1097 0.1393 0.1525 ( 10130 PWs) bands (ev): -12.9683 -12.9681 -12.9680 -12.9677 -12.1633 -12.1633 -12.1628 -12.1626 -10.5037 -10.5030 -10.5027 -10.5020 -7.7320 -7.7316 -7.7308 -7.7300 -2.0540 -2.0430 -2.0353 -2.0318 -1.3438 -1.3423 -1.3111 -1.2961 -0.8620 -0.8381 -0.8179 -0.7891 0.2495 0.2522 0.2650 0.3240 0.5227 0.5307 0.5960 0.6239 0.9292 0.9452 1.0085 1.0490 1.2671 1.3013 1.3053 1.3745 2.1077 2.1216 2.1387 2.1799 2.6302 2.6341 2.6534 2.6706 4.5151 4.5165 4.5243 4.5452 4.7588 4.7591 4.7700 4.8189 5.7748 5.7957 k = 0.1012 0.1286 0.1525 ( 10122 PWs) bands (ev): -12.9769 -12.9766 -12.9766 -12.9763 -12.1669 -12.1668 -12.1663 -12.1661 -10.5014 -10.5007 -10.5004 -10.4998 -7.7180 -7.7176 -7.7169 -7.7161 -2.0413 -2.0308 -2.0215 -2.0185 -1.3246 -1.3222 -1.2950 -1.2768 -0.8255 -0.8033 -0.7807 -0.7545 0.2565 0.2604 0.2703 0.3364 0.5420 0.5428 0.5957 0.6246 0.9397 0.9421 1.0156 1.0550 1.2583 1.2904 1.2934 1.3620 2.0744 2.0895 2.1081 2.1466 2.6216 2.6259 2.6469 2.6605 4.4945 4.4991 4.5016 4.5295 4.7364 4.7448 4.7507 4.8038 5.7465 5.7677 k = 0.0928 0.1179 0.1525 ( 10118 PWs) bands (ev): -12.9849 -12.9846 -12.9846 -12.9843 -12.1702 -12.1702 -12.1697 -12.1695 -10.4991 -10.4984 -10.4983 -10.4976 -7.7048 -7.7044 -7.7038 -7.7030 -2.0292 -2.0193 -2.0084 -2.0058 -1.3081 -1.3016 -1.2804 -1.2588 -0.7891 -0.7689 -0.7436 -0.7206 0.2607 0.2719 0.2756 0.3490 0.5520 0.5612 0.5927 0.6219 0.9379 0.9488 1.0200 1.0599 1.2525 1.2776 1.2874 1.3511 2.0420 2.0582 2.0780 2.1137 2.6123 2.6170 2.6395 2.6499 4.4738 4.4800 4.4839 4.5147 4.7159 4.7330 4.7336 4.7903 5.7199 5.7412 k = 0.0844 0.1072 0.1525 ( 10126 PWs) bands (ev): -12.9923 -12.9920 -12.9920 -12.9917 -12.1734 -12.1734 -12.1728 -12.1726 -10.4970 -10.4963 -10.4962 -10.4955 -7.6925 -7.6920 -7.6915 -7.6907 -2.0178 -2.0085 -1.9961 -1.9938 -1.2929 -1.2823 -1.2674 -1.2424 -0.7531 -0.7349 -0.7072 -0.6878 0.2646 0.2804 0.2834 0.3609 0.5612 0.5781 0.5880 0.6165 0.9330 0.9565 1.0214 1.0637 1.2497 1.2671 1.2829 1.3419 2.0109 2.0283 2.0489 2.0816 2.6026 2.6076 2.6314 2.6391 4.4545 4.4598 4.4698 4.5009 4.6978 4.7183 4.7232 4.7782 5.6953 5.7166 k = 0.0759 0.0964 0.1525 ( 10122 PWs) bands (ev): -12.9990 -12.9988 -12.9988 -12.9985 -12.1763 -12.1763 -12.1757 -12.1755 -10.4950 -10.4943 -10.4943 -10.4936 -7.6811 -7.6806 -7.6802 -7.6794 -2.0072 -1.9986 -1.9846 -1.9826 -1.2790 -1.2643 -1.2558 -1.2276 -0.7176 -0.7018 -0.6718 -0.6564 0.2678 0.2842 0.2945 0.3709 0.5698 0.5831 0.5935 0.6091 0.9277 0.9628 1.0198 1.0663 1.2497 1.2589 1.2796 1.3340 1.9817 2.0000 2.0210 2.0507 2.5929 2.5981 2.6230 2.6284 4.4369 4.4413 4.4569 4.4881 4.6819 4.7047 4.7151 4.7672 5.6726 5.6939 k = 0.0675 0.0857 0.1525 ( 10132 PWs) bands (ev): -13.0052 -13.0050 -13.0049 -13.0047 -12.1789 -12.1789 -12.1783 -12.1782 -10.4932 -10.4925 -10.4924 -10.4918 -7.6707 -7.6701 -7.6699 -7.6691 -1.9973 -1.9895 -1.9740 -1.9723 -1.2666 -1.2478 -1.2458 -1.2145 -0.6831 -0.6698 -0.6380 -0.6265 0.2701 0.2867 0.3042 0.3773 0.5783 0.5800 0.6011 0.6078 0.9224 0.9677 1.0153 1.0675 1.2519 1.2531 1.2772 1.3273 1.9547 1.9739 1.9946 2.0210 2.5834 2.5886 2.6146 2.6180 4.4211 4.4246 4.4456 4.4763 4.6682 4.6924 4.7085 4.7571 5.6521 5.6728 k = 0.0591 0.0750 0.1525 ( 10134 PWs) bands (ev): -13.0106 -13.0105 -13.0103 -13.0102 -12.1813 -12.1813 -12.1807 -12.1806 -10.4915 -10.4909 -10.4907 -10.4902 -7.6613 -7.6607 -7.6606 -7.6598 -1.9884 -1.9814 -1.9644 -1.9630 -1.2555 -1.2372 -1.2328 -1.2032 -0.6499 -0.6393 -0.6063 -0.5987 0.2713 0.2875 0.3117 0.3784 0.5807 0.5868 0.5939 0.6212 0.9173 0.9717 1.0080 1.0670 1.2496 1.2559 1.2752 1.3215 1.9306 1.9503 1.9702 1.9931 2.5745 2.5795 2.6063 2.6083 4.4072 4.4098 4.4360 4.4655 4.6565 4.6812 4.7034 4.7477 5.6340 5.6525 k = 0.0506 0.0643 0.1525 ( 10144 PWs) bands (ev): -13.0154 -13.0153 -13.0151 -13.0150 -12.1834 -12.1834 -12.1827 -12.1826 -10.4900 -10.4895 -10.4892 -10.4888 -7.6531 -7.6525 -7.6525 -7.6517 -1.9804 -1.9743 -1.9558 -1.9547 -1.2458 -1.2301 -1.2195 -1.1937 -0.6184 -0.6106 -0.5773 -0.5735 0.2716 0.2870 0.3161 0.3735 0.5863 0.5888 0.5953 0.6338 0.9128 0.9751 0.9984 1.0645 1.2480 1.2609 1.2736 1.3165 1.9098 1.9294 1.9478 1.9672 2.5663 2.5710 2.5986 2.5994 4.3952 4.3971 4.4282 4.4559 4.6469 4.6709 4.6995 4.7390 5.6182 5.6344 k = 0.0422 0.0536 0.1525 ( 10146 PWs) bands (ev): -13.0195 -13.0193 -13.0192 -13.0191 -12.1852 -12.1851 -12.1845 -12.1844 -10.4887 -10.4883 -10.4879 -10.4875 -7.6460 -7.6455 -7.6454 -7.6447 -1.9734 -1.9683 -1.9485 -1.9476 -1.2375 -1.2244 -1.2078 -1.1860 -0.5892 -0.5842 -0.5518 -0.5513 0.2715 0.2855 0.3169 0.3632 0.5869 0.5964 0.6031 0.6454 0.9091 0.9786 0.9868 1.0599 1.2480 1.2665 1.2719 1.3121 1.8926 1.9116 1.9280 1.9435 2.5591 2.5633 2.5916 2.5917 4.3851 4.3864 4.4223 4.4472 4.6393 4.6615 4.6969 4.7309 5.6050 5.6187 k = 0.0337 0.0429 0.1525 ( 10160 PWs) bands (ev): -13.0228 -13.0227 -13.0225 -13.0224 -12.1866 -12.1866 -12.1860 -12.1859 -10.4876 -10.4873 -10.4869 -10.4865 -7.6402 -7.6397 -7.6395 -7.6390 -1.9675 -1.9634 -1.9424 -1.9417 -1.2305 -1.2200 -1.1977 -1.1801 -0.5629 -0.5606 -0.5329 -0.5306 0.2717 0.2838 0.3142 0.3493 0.5884 0.6096 0.6097 0.6552 0.9067 0.9739 0.9826 1.0533 1.2493 1.2701 1.2722 1.3081 1.8795 1.8971 1.9110 1.9224 2.5531 2.5566 2.5851 2.5855 4.3770 4.3778 4.4183 4.4396 4.6336 4.6530 4.6955 4.7234 5.5943 5.6054 k = 0.0253 0.0321 0.1525 ( 10156 PWs) bands (ev): -13.0254 -13.0254 -13.0252 -13.0251 -12.1878 -12.1878 -12.1871 -12.1871 -10.4868 -10.4865 -10.4860 -10.4857 -7.6356 -7.6353 -7.6349 -7.6345 -1.9627 -1.9596 -1.9375 -1.9370 -1.2249 -1.2170 -1.1894 -1.1761 -0.5405 -0.5401 -0.5187 -0.5143 0.2731 0.2827 0.3087 0.3336 0.5928 0.6142 0.6244 0.6625 0.9063 0.9601 0.9880 1.0447 1.2515 1.2681 1.2778 1.3042 1.8705 1.8862 1.8970 1.9041 2.5484 2.5511 2.5800 2.5805 4.3707 4.3712 4.4161 4.4330 4.6300 4.6455 4.6952 4.7166 5.5863 5.5947 k = 0.0169 0.0214 0.1525 ( 10148 PWs) bands (ev): -13.0273 -13.0273 -13.0270 -13.0270 -12.1886 -12.1886 -12.1879 -12.1879 -10.4861 -10.4859 -10.4853 -10.4852 -7.6323 -7.6320 -7.6316 -7.6313 -1.9592 -1.9571 -1.9340 -1.9337 -1.2204 -1.2152 -1.1828 -1.1739 -0.5244 -0.5217 -0.5093 -0.5036 0.2765 0.2829 0.3019 0.3179 0.5990 0.6160 0.6387 0.6663 0.9085 0.9463 0.9949 1.0348 1.2542 1.2658 1.2831 1.3004 1.8659 1.8788 1.8862 1.8890 2.5451 2.5470 2.5763 2.5768 4.3663 4.3666 4.4157 4.4273 4.6282 4.6392 4.6961 4.7106 5.5810 5.5866 k = 0.0084 0.0107 0.1525 ( 10152 PWs) bands (ev): -13.0284 -13.0284 -13.0281 -13.0281 -12.1891 -12.1891 -12.1884 -12.1884 -10.4857 -10.4856 -10.4849 -10.4849 -7.6302 -7.6301 -7.6295 -7.6294 -1.9568 -1.9557 -1.9318 -1.9317 -1.2173 -1.2146 -1.1779 -1.1735 -0.5128 -0.5084 -0.5052 -0.4990 0.2825 0.2850 0.2950 0.3036 0.6056 0.6150 0.6512 0.6657 0.9139 0.9334 1.0035 1.0241 1.2572 1.2632 1.2879 1.2965 1.8656 1.8752 1.8774 1.8789 2.5433 2.5442 2.5742 2.5744 4.3637 4.3638 4.4167 4.4227 4.6284 4.6340 4.6981 4.7054 5.5783 5.5812 k = 0.0000 0.0000 0.1525 ( 10152 PWs) bands (ev): -13.0288 -13.0288 -13.0285 -13.0285 -12.1893 -12.1893 -12.1886 -12.1886 -10.4856 -10.4856 -10.4848 -10.4848 -7.6295 -7.6295 -7.6288 -7.6288 -1.9556 -1.9556 -1.9311 -1.9311 -1.2153 -1.2153 -1.1748 -1.1748 -0.5063 -0.5063 -0.5007 -0.5007 0.2891 0.2891 0.2916 0.2916 0.6112 0.6112 0.6605 0.6605 0.9223 0.9223 1.0134 1.0134 1.2603 1.2603 1.2924 1.2924 1.8695 1.8695 1.8752 1.8752 2.5430 2.5430 2.5735 2.5735 4.3628 4.3628 4.4191 4.4191 4.6304 4.6304 4.7012 4.7012 5.5784 5.5784 k = 0.0000 0.0000 0.1525 ( 10152 PWs) bands (ev): -13.0288 -13.0288 -13.0285 -13.0285 -12.1893 -12.1893 -12.1886 -12.1886 -10.4856 -10.4856 -10.4848 -10.4848 -7.6295 -7.6295 -7.6288 -7.6288 -1.9556 -1.9556 -1.9311 -1.9311 -1.2153 -1.2153 -1.1748 -1.1748 -0.5063 -0.5063 -0.5007 -0.5007 0.2891 0.2891 0.2916 0.2916 0.6112 0.6112 0.6605 0.6605 0.9223 0.9223 1.0134 1.0134 1.2603 1.2603 1.2924 1.2924 1.8695 1.8695 1.8752 1.8752 2.5430 2.5430 2.5735 2.5735 4.3628 4.3628 4.4191 4.4191 4.6304 4.6304 4.7012 4.7012 5.5784 5.5784 k = 0.0000 0.0000 0.1398 ( 10150 PWs) bands (ev): -13.0371 -13.0368 -13.0202 -13.0199 -12.2075 -12.2068 -12.1712 -12.1705 -10.4995 -10.4988 -10.4717 -10.4710 -7.6333 -7.6326 -7.6257 -7.6250 -1.9573 -1.9539 -1.9332 -1.9293 -1.2254 -1.2045 -1.1852 -1.1642 -0.5134 -0.5077 -0.4999 -0.4942 0.2793 0.2844 0.2995 0.2998 0.6057 0.6166 0.6583 0.6619 0.9174 0.9272 1.0051 1.0202 1.2488 1.2718 1.2825 1.3018 1.8584 1.8663 1.8830 1.8861 2.5344 2.5503 2.5667 2.5788 4.3586 4.3674 4.4156 4.4218 4.6163 4.6453 4.6876 4.7144 5.5760 5.5814 k = 0.0000 0.0000 0.1271 ( 10158 PWs) bands (ev): -13.0450 -13.0447 -13.0114 -13.0111 -12.2255 -12.2248 -12.1534 -12.1528 -10.5134 -10.5127 -10.4583 -10.4576 -7.6371 -7.6364 -7.6220 -7.6213 -1.9587 -1.9521 -1.9355 -1.9278 -1.2344 -1.1953 -1.1929 -1.1535 -0.5208 -0.5152 -0.4940 -0.4884 0.2707 0.2779 0.3081 0.3114 0.5999 0.6216 0.6553 0.6626 0.9124 0.9320 0.9956 1.0252 1.2377 1.2724 1.2831 1.3107 1.8496 1.8593 1.8984 1.8989 2.5248 2.5564 2.5583 2.5826 4.3547 4.3722 4.4114 4.4239 4.6032 4.6607 4.6737 4.7268 5.5742 5.5848 k = 0.0000 0.0000 0.1144 ( 10180 PWs) bands (ev): -13.0524 -13.0522 -13.0027 -13.0024 -12.2430 -12.2424 -12.1364 -12.1357 -10.5270 -10.5263 -10.4454 -10.4447 -7.6408 -7.6401 -7.6184 -7.6177 -1.9600 -1.9502 -1.9380 -1.9267 -1.2423 -1.2050 -1.1809 -1.1430 -0.5286 -0.5231 -0.4887 -0.4834 0.2633 0.2721 0.3173 0.3237 0.5942 0.6263 0.6514 0.6625 0.9076 0.9368 0.9850 1.0285 1.2272 1.2621 1.2940 1.3190 1.8432 1.8543 1.9132 1.9153 2.5141 2.5483 2.5612 2.5849 4.3513 4.3770 4.4065 4.4252 4.5915 4.6596 4.6762 4.7383 5.5730 5.5886 k = 0.0000 0.0000 0.1017 ( 10168 PWs) bands (ev): -13.0592 -13.0590 -12.9941 -12.9938 -12.2598 -12.2592 -12.1202 -12.1196 -10.5401 -10.5394 -10.4334 -10.4327 -7.6442 -7.6436 -7.6150 -7.6144 -1.9611 -1.9482 -1.9407 -1.9260 -1.2491 -1.2141 -1.1686 -1.1328 -0.5366 -0.5312 -0.4841 -0.4790 0.2571 0.2670 0.3270 0.3362 0.5885 0.6305 0.6466 0.6618 0.9030 0.9417 0.9737 1.0300 1.2175 1.2518 1.3043 1.3264 1.8391 1.8510 1.9288 1.9334 2.5027 2.5371 2.5649 2.5860 4.3485 4.3819 4.4010 4.4259 4.5812 4.6457 4.6916 4.7488 5.5723 5.5869 k = 0.0000 0.0000 0.0890 ( 10156 PWs) bands (ev): -13.0654 -13.0652 -12.9858 -12.9855 -12.2756 -12.2750 -12.1052 -12.1046 -10.5523 -10.5516 -10.4223 -10.4217 -7.6475 -7.6469 -7.6118 -7.6113 -1.9619 -1.9462 -1.9434 -1.9257 -1.2547 -1.2227 -1.1562 -1.1232 -0.5445 -0.5394 -0.4800 -0.4753 0.2521 0.2625 0.3371 0.3488 0.5832 0.6343 0.6407 0.6607 0.8989 0.9468 0.9622 1.0297 1.2088 1.2418 1.3139 1.3331 1.8371 1.8493 1.9452 1.9520 2.4910 2.5247 2.5676 2.5860 4.3463 4.3867 4.3950 4.4260 4.5727 4.6322 4.7065 4.7580 5.5721 5.5854 k = 0.0000 0.0000 0.0763 ( 10150 PWs) bands (ev): -13.0709 -13.0707 -12.9780 -12.9777 -12.2900 -12.2895 -12.0916 -12.0911 -10.5634 -10.5629 -10.4123 -10.4118 -7.6504 -7.6499 -7.6090 -7.6085 -1.9625 -1.9462 -1.9441 -1.9258 -1.2591 -1.2305 -1.1442 -1.1146 -0.5521 -0.5473 -0.4765 -0.4722 0.2482 0.2586 0.3473 0.3610 0.5784 0.6338 0.6376 0.6593 0.8955 0.9506 0.9522 1.0278 1.2014 1.2321 1.3225 1.3388 1.8368 1.8486 1.9620 1.9703 2.4794 2.5115 2.5695 2.5852 4.3449 4.3886 4.3914 4.4257 4.5659 4.6192 4.7206 4.7657 5.5723 5.5842 k = 0.0000 0.0000 0.0635 ( 10142 PWs) bands (ev): -13.0756 -13.0754 -12.9709 -12.9707 -12.3028 -12.3023 -12.0796 -12.0792 -10.5733 -10.5728 -10.4036 -10.4032 -7.6530 -7.6525 -7.6065 -7.6061 -1.9628 -1.9489 -1.9421 -1.9262 -1.2623 -1.2377 -1.1328 -1.1070 -0.5591 -0.5548 -0.4736 -0.4698 0.2454 0.2552 0.3574 0.3722 0.5746 0.6259 0.6405 0.6577 0.8929 0.9395 0.9581 1.0244 1.1955 1.2229 1.3302 1.3436 1.8379 1.8487 1.9785 1.9877 2.4684 2.4979 2.5708 2.5838 4.3443 4.3821 4.3960 4.4248 4.5609 4.6070 4.7337 4.7720 5.5729 5.5831 k = 0.0000 0.0000 0.0508 ( 10140 PWs) bands (ev): -13.0795 -13.0793 -12.9648 -12.9646 -12.3137 -12.3133 -12.0695 -12.0691 -10.5817 -10.5813 -10.3963 -10.3959 -7.6551 -7.6547 -7.6044 -7.6041 -1.9628 -1.9514 -1.9400 -1.9269 -1.2644 -1.2441 -1.1223 -1.1009 -0.5652 -0.5616 -0.4712 -0.4680 0.2436 0.2522 0.3672 0.3818 0.5720 0.6172 0.6430 0.6561 0.8914 0.9290 0.9643 1.0198 1.1911 1.2144 1.3367 1.3473 1.8398 1.8492 1.9940 2.0032 2.4588 2.4846 2.5717 2.5820 4.3445 4.3757 4.4003 4.4235 4.5578 4.5957 4.7455 4.7766 5.5737 5.5820 k = 0.0000 0.0000 0.0381 ( 10158 PWs) bands (ev): -13.0825 -13.0824 -12.9598 -12.9596 -12.3225 -12.3222 -12.0614 -12.0611 -10.5885 -10.5881 -10.3905 -10.3902 -7.6568 -7.6565 -7.6027 -7.6025 -1.9625 -1.9538 -1.9380 -1.9279 -1.2653 -1.2498 -1.1130 -1.0965 -0.5702 -0.5673 -0.4692 -0.4668 0.2427 0.2495 0.3763 0.3893 0.5713 0.6080 0.6451 0.6545 0.8911 0.9195 0.9711 1.0141 1.1885 1.2068 1.3422 1.3500 1.8422 1.8497 2.0079 2.0161 2.4513 2.4721 2.5724 2.5800 4.3456 4.3695 4.4043 4.4218 4.5566 4.5856 4.7558 4.7793 5.5746 5.5810 k = 0.0000 0.0000 0.0254 ( 10154 PWs) bands (ev): -13.0847 -13.0847 -12.9560 -12.9559 -12.3289 -12.3287 -12.0555 -12.0553 -10.5934 -10.5931 -10.3863 -10.3861 -7.6581 -7.6579 -7.6015 -7.6013 -1.9618 -1.9560 -1.9360 -1.9292 -1.2651 -1.2547 -1.1053 -1.0941 -0.5738 -0.5718 -0.4677 -0.4661 0.2425 0.2473 0.3842 0.3940 0.5727 0.5988 0.6469 0.6529 0.8921 0.9112 0.9782 1.0076 1.1876 1.2002 1.3464 1.3516 1.8447 1.8498 2.0191 2.0253 2.4465 2.4612 2.5731 2.5782 4.3475 4.3638 4.4080 4.4198 4.5572 4.5768 4.7645 4.7802 5.5757 5.5800 k = 0.0000 0.0000 0.0127 ( 10133 PWs) bands (ev): -13.0860 -13.0860 -12.9537 -12.9537 -12.3328 -12.3327 -12.0519 -12.0518 -10.5963 -10.5962 -10.3837 -10.3837 -7.6588 -7.6587 -7.6007 -7.6006 -1.9608 -1.9579 -1.9341 -1.9307 -1.2639 -1.2587 -1.0994 -1.0937 -0.5759 -0.5748 -0.4666 -0.4658 0.2430 0.2454 0.3904 0.3957 0.5765 0.5900 0.6485 0.6515 0.8947 0.9042 0.9856 1.0005 1.1884 1.1948 1.3495 1.3520 1.8468 1.8495 2.0271 2.0304 2.4450 2.4526 2.5740 2.5765 4.3504 4.3586 4.4115 4.4174 4.5595 4.5695 4.7713 4.7792 5.5768 5.5790 k = 0.0000 0.0000 0.0000 ( 10151 PWs) bands (ev): -13.0865 -13.0865 -12.9529 -12.9529 -12.3341 -12.3341 -12.0507 -12.0507 -10.5973 -10.5973 -10.3829 -10.3829 -7.6590 -7.6590 -7.6005 -7.6005 -1.9595 -1.9595 -1.9324 -1.9324 -1.2618 -1.2618 -1.0955 -1.0955 -0.5762 -0.5762 -0.4660 -0.4660 0.2440 0.2440 0.3944 0.3944 0.5824 0.5824 0.6500 0.6500 0.8987 0.8987 0.9931 0.9931 1.1908 1.1908 1.3513 1.3513 1.8485 1.8485 2.0310 2.0310 2.4471 2.4471 2.5751 2.5751 4.3541 4.3541 4.4146 4.4146 4.5637 4.5637 4.7762 4.7762 5.5779 5.5779 k = 0.0000 0.0000 0.0000 ( 10151 PWs) bands (ev): -13.0865 -13.0865 -12.9529 -12.9529 -12.3341 -12.3341 -12.0507 -12.0507 -10.5973 -10.5973 -10.3829 -10.3829 -7.6590 -7.6590 -7.6005 -7.6005 -1.9595 -1.9595 -1.9324 -1.9324 -1.2618 -1.2618 -1.0955 -1.0955 -0.5762 -0.5762 -0.4660 -0.4660 0.2440 0.2440 0.3944 0.3944 0.5824 0.5824 0.6500 0.6500 0.8987 0.8987 0.9931 0.9931 1.1908 1.1908 1.3513 1.3513 1.8485 1.8485 2.0310 2.0310 2.4471 2.4471 2.5751 2.5751 4.3541 4.3541 4.4146 4.4146 4.5637 4.5637 4.7762 4.7762 5.5779 5.5779 k =-0.0106 0.0084 0.0000 ( 10147 PWs) bands (ev): -13.0860 -13.0860 -12.9526 -12.9525 -12.3339 -12.3338 -12.0506 -12.0505 -10.5972 -10.5972 -10.3829 -10.3829 -7.6596 -7.6595 -7.6012 -7.6011 -1.9611 -1.9593 -1.9336 -1.9328 -1.2633 -1.2619 -1.0979 -1.0957 -0.5821 -0.5759 -0.4702 -0.4664 0.2417 0.2456 0.3935 0.3957 0.5802 0.5861 0.6451 0.6571 0.8933 0.9056 0.9927 0.9952 1.1854 1.1956 1.3390 1.3616 1.8490 1.8493 2.0290 2.0325 2.4448 2.4476 2.5741 2.5747 4.3519 4.3575 4.4121 4.4182 4.5629 4.5659 4.7747 4.7803 5.5775 5.5823 k =-0.0213 0.0167 0.0000 ( 10135 PWs) bands (ev): -13.0848 -13.0847 -12.9514 -12.9513 -12.3332 -12.3331 -12.0502 -12.0502 -10.5969 -10.5968 -10.3830 -10.3830 -7.6615 -7.6613 -7.6033 -7.6031 -1.9642 -1.9607 -1.9366 -1.9349 -1.2664 -1.2636 -1.1030 -1.0987 -0.5934 -0.5813 -0.4789 -0.4712 0.2388 0.2463 0.3932 0.3972 0.5797 0.5913 0.6424 0.6662 0.8897 0.9139 0.9937 0.9991 1.1793 1.1995 1.3248 1.3697 1.8507 1.8513 2.0267 2.0333 2.4409 2.4465 2.5719 2.5730 4.3511 4.3623 4.4107 4.4229 4.5637 4.5698 4.7758 4.7867 5.5811 5.5905 k =-0.0319 0.0251 0.0000 ( 10143 PWs) bands (ev): -13.0827 -13.0826 -12.9494 -12.9493 -12.3320 -12.3320 -12.0496 -12.0496 -10.5963 -10.5963 -10.3832 -10.3832 -7.6645 -7.6642 -7.6068 -7.6064 -1.9688 -1.9635 -1.9413 -1.9388 -1.2710 -1.2669 -1.1107 -1.1043 -0.6099 -0.5921 -0.4918 -0.4804 0.2354 0.2461 0.3937 0.3983 0.5811 0.5974 0.6416 0.6771 0.8883 0.9233 0.9960 1.0047 1.1727 1.2025 1.3091 1.3758 1.8536 1.8546 2.0241 2.0331 2.4354 2.4437 2.5683 2.5703 4.3515 4.3683 4.4106 4.4287 4.5660 4.5752 4.7796 4.7953 5.5887 5.6026 k =-0.0426 0.0335 0.0000 ( 10119 PWs) bands (ev): -13.0797 -13.0796 -12.9466 -12.9465 -12.3305 -12.3304 -12.0487 -12.0487 -10.5955 -10.5955 -10.3835 -10.3835 -7.6687 -7.6683 -7.6116 -7.6111 -1.9747 -1.9679 -1.9477 -1.9443 -1.2772 -1.2717 -1.1209 -1.1126 -0.6312 -0.6081 -0.5086 -0.4937 0.2313 0.2447 0.3951 0.3990 0.5842 0.6043 0.6425 0.6894 0.8892 0.9336 0.9991 1.0119 1.1657 1.2047 1.2926 1.3802 1.8575 1.8590 2.0213 2.0316 2.4284 2.4392 2.5636 2.5667 4.3533 4.3757 4.4119 4.4354 4.5699 4.5822 4.7859 4.8058 5.6005 5.6184 k =-0.0532 0.0419 0.0000 ( 10135 PWs) bands (ev): -13.0760 -13.0759 -12.9431 -12.9429 -12.3284 -12.3283 -12.0477 -12.0476 -10.5946 -10.5946 -10.3838 -10.3838 -7.6740 -7.6736 -7.6177 -7.6171 -1.9820 -1.9737 -1.9557 -1.9514 -1.2849 -1.2780 -1.1334 -1.1233 -0.6569 -0.6289 -0.5288 -0.5107 0.2267 0.2420 0.3971 0.3989 0.5892 0.6116 0.6445 0.7027 0.8928 0.9443 1.0023 1.0201 1.1586 1.2059 1.2759 1.3833 1.8622 1.8644 2.0181 2.0283 2.4199 2.4331 2.5580 2.5624 4.3564 4.3845 4.4147 4.4431 4.5756 4.5908 4.7948 4.8180 5.6164 5.6381 k =-0.0638 0.0502 0.0000 ( 10127 PWs) bands (ev): -13.0714 -13.0712 -12.9387 -12.9386 -12.3260 -12.3258 -12.0464 -12.0463 -10.5934 -10.5934 -10.3842 -10.3842 -7.6805 -7.6800 -7.6252 -7.6244 -1.9905 -1.9810 -1.9654 -1.9600 -1.2940 -1.2856 -1.1481 -1.1365 -0.6863 -0.6540 -0.5521 -0.5309 0.2214 0.2377 0.3978 0.3997 0.5960 0.6190 0.6469 0.7166 0.8990 0.9551 1.0052 1.0286 1.1514 1.2062 1.2604 1.3856 1.8676 1.8704 2.0145 2.0231 2.4099 2.4253 2.5515 2.5577 4.3609 4.3946 4.4191 4.4519 4.5830 4.6009 4.8061 4.8317 5.6367 5.6614 k =-0.0745 0.0586 0.0000 ( 10123 PWs) bands (ev): -13.0660 -13.0658 -12.9337 -12.9334 -12.3231 -12.3229 -12.0448 -12.0447 -10.5920 -10.5920 -10.3847 -10.3847 -7.6881 -7.6875 -7.6339 -7.6330 -2.0003 -1.9898 -1.9765 -1.9702 -1.3043 -1.2945 -1.1649 -1.1519 -0.7191 -0.6830 -0.5779 -0.5540 0.2154 0.2318 0.3959 0.4025 0.6045 0.6261 0.6492 0.7307 0.9077 0.9654 1.0074 1.0363 1.1446 1.2055 1.2474 1.3878 1.8734 1.8770 2.0104 2.0158 2.3986 2.4161 2.5445 2.5528 4.3669 4.4061 4.4255 4.4618 4.5923 4.6127 4.8195 4.8465 5.6611 5.6883 k =-0.0851 0.0670 0.0000 ( 10129 PWs) bands (ev): -13.0598 -13.0596 -12.9278 -12.9276 -12.3197 -12.3196 -12.0431 -12.0430 -10.5904 -10.5904 -10.3853 -10.3853 -7.6968 -7.6961 -7.6438 -7.6428 -2.0112 -2.0001 -1.9892 -1.9817 -1.3159 -1.3047 -1.1834 -1.1694 -0.7548 -0.7154 -0.6058 -0.5796 0.2086 0.2242 0.3928 0.4054 0.6149 0.6328 0.6508 0.7446 0.9178 0.9744 1.0090 1.0416 1.1388 1.2038 1.2388 1.3901 1.8793 1.8837 2.0056 2.0063 2.3860 2.4055 2.5370 2.5478 4.3744 4.4186 4.4341 4.4728 4.6036 4.6261 4.8349 4.8623 5.6896 5.7173 k =-0.0957 0.0754 0.0000 ( 10133 PWs) bands (ev): -13.0529 -13.0527 -12.9213 -12.9210 -12.3160 -12.3159 -12.0411 -12.0410 -10.5886 -10.5886 -10.3859 -10.3859 -7.7065 -7.7057 -7.6549 -7.6538 -2.0233 -2.0119 -2.0033 -1.9944 -1.3285 -1.3159 -1.2036 -1.1887 -0.7927 -0.7505 -0.6353 -0.6071 0.2009 0.2150 0.3888 0.4080 0.6269 0.6386 0.6514 0.7582 0.9272 0.9806 1.0114 1.0424 1.1359 1.2011 1.2361 1.3931 1.8853 1.8903 1.9946 2.0002 2.3723 2.3935 2.5293 2.5428 4.3835 4.4319 4.4456 4.4850 4.6169 4.6411 4.8520 4.8789 5.7220 5.7446 k =-0.1064 0.0837 0.0000 ( 10131 PWs) bands (ev): -13.0452 -13.0450 -12.9141 -12.9138 -12.3119 -12.3117 -12.0390 -12.0389 -10.5867 -10.5866 -10.3865 -10.3865 -7.7173 -7.7164 -7.6671 -7.6659 -2.0364 -2.0252 -2.0188 -2.0083 -1.3422 -1.3281 -1.2251 -1.2098 -0.8325 -0.7879 -0.6660 -0.6362 0.1923 0.2042 0.3837 0.4101 0.6400 0.6435 0.6515 0.7714 0.9322 0.9825 1.0176 1.0370 1.1386 1.1972 1.2394 1.3968 1.8909 1.8965 1.9810 1.9944 2.3574 2.3804 2.5213 2.5378 4.3944 4.4457 4.4604 4.4986 4.6322 4.6575 4.8706 4.8962 5.7580 5.7734 k =-0.1170 0.0921 0.0000 ( 10129 PWs) bands (ev): -13.0368 -13.0366 -12.9062 -12.9058 -12.3075 -12.3073 -12.0366 -12.0365 -10.5845 -10.5845 -10.3872 -10.3872 -7.7290 -7.7281 -7.6804 -7.6791 -2.0504 -2.0400 -2.0355 -2.0231 -1.3567 -1.3413 -1.2478 -1.2323 -0.8738 -0.8271 -0.6976 -0.6665 0.1828 0.1920 0.3776 0.4116 0.6471 0.6472 0.6579 0.7841 0.9296 0.9788 1.0258 1.0301 1.1481 1.1922 1.2480 1.4008 1.8959 1.9021 1.9659 1.9883 2.3416 2.3663 2.5130 2.5327 4.4072 4.4602 4.4783 4.5136 4.6495 4.6755 4.8906 4.9141 5.7971 5.8044 k =-0.1277 0.1005 0.0000 ( 10123 PWs) bands (ev): -13.0277 -13.0275 -12.8976 -12.8973 -12.3027 -12.3024 -12.0341 -12.0340 -10.5822 -10.5822 -10.3880 -10.3880 -7.7417 -7.7407 -7.6947 -7.6934 -2.0654 -2.0563 -2.0534 -2.0387 -1.3720 -1.3553 -1.2714 -1.2561 -0.9162 -0.8677 -0.7298 -0.6977 0.1725 0.1786 0.3705 0.4122 0.6454 0.6493 0.6735 0.7963 0.9190 0.9682 1.0117 1.0486 1.1637 1.1862 1.2602 1.4047 1.9001 1.9067 1.9498 1.9824 2.3248 2.3513 2.5045 2.5274 4.4218 4.4761 4.4986 4.5302 4.6687 4.6950 4.9118 4.9326 5.8373 5.8385 k =-0.1383 0.1089 0.0000 ( 10125 PWs) bands (ev): -13.0180 -13.0177 -12.8884 -12.8881 -12.2976 -12.2973 -12.0315 -12.0313 -10.5797 -10.5797 -10.3887 -10.3887 -7.7552 -7.7542 -7.7100 -7.7086 -2.0813 -2.0741 -2.0724 -2.0550 -1.3880 -1.3702 -1.2957 -1.2810 -0.9592 -0.9094 -0.7623 -0.7295 0.1613 0.1643 0.3625 0.4120 0.6419 0.6500 0.6909 0.8081 0.9023 0.9506 0.9973 1.0706 1.1797 1.1842 1.2746 1.4078 1.9030 1.9103 1.9334 1.9768 2.3072 2.3357 2.4957 2.5217 4.4384 4.4937 4.5213 4.5485 4.6898 4.7158 4.9341 4.9516 5.8719 5.8810 k =-0.1489 0.1172 0.0000 ( 10123 PWs) bands (ev): -13.0076 -13.0073 -12.8787 -12.8783 -12.2921 -12.2918 -12.0286 -12.0285 -10.5771 -10.5770 -10.3895 -10.3895 -7.7696 -7.7685 -7.7262 -7.7247 -2.0981 -2.0932 -2.0923 -2.0720 -1.4046 -1.3858 -1.3203 -1.3067 -1.0027 -0.9517 -0.7948 -0.7617 0.1493 0.1495 0.3537 0.4108 0.6376 0.6490 0.7090 0.8194 0.8810 0.9271 0.9831 1.0933 1.1739 1.2080 1.2898 1.4094 1.9031 1.9128 1.9187 1.9719 2.2890 2.3196 2.4865 2.5154 4.4569 4.5130 4.5459 4.5685 4.7124 4.7378 4.9573 4.9712 5.9079 5.9226 k =-0.1596 0.1256 0.0000 ( 10121 PWs) bands (ev): -12.9966 -12.9964 -12.8684 -12.8680 -12.2864 -12.2861 -12.0257 -12.0255 -10.5743 -10.5743 -10.3904 -10.3904 -7.7847 -7.7836 -7.7432 -7.7417 -2.1161 -2.1134 -2.1125 -2.0898 -1.4217 -1.4024 -1.3448 -1.3330 -1.0463 -0.9942 -0.8271 -0.7940 0.1339 0.1372 0.3440 0.4086 0.6324 0.6465 0.7276 0.8300 0.8562 0.8998 0.9687 1.1120 1.1724 1.2341 1.3048 1.4089 1.8949 1.9118 1.9145 1.9674 2.2702 2.3032 2.4768 2.5084 4.4774 4.5341 4.5725 4.5903 4.7365 4.7611 4.9815 4.9914 5.9451 5.9628 k =-0.1702 0.1340 0.0000 ( 10123 PWs) bands (ev): -12.9851 -12.9848 -12.8576 -12.8571 -12.2804 -12.2801 -12.0226 -12.0224 -10.5714 -10.5714 -10.3912 -10.3912 -7.8006 -7.7995 -7.7610 -7.7594 -2.1366 -2.1347 -2.1318 -2.1081 -1.4393 -1.4201 -1.3689 -1.3597 -1.0898 -1.0368 -0.8592 -0.8262 0.1183 0.1245 0.3336 0.4055 0.6265 0.6423 0.7463 0.8288 0.8397 0.8699 0.9539 1.1193 1.1821 1.2618 1.3189 1.4057 1.8813 1.9100 1.9156 1.9633 2.2510 2.2869 2.4665 2.5005 4.4995 4.5568 4.6006 4.6137 4.7619 4.7854 5.0065 5.0124 5.9832 6.0020 k =-0.1809 0.1424 0.0000 ( 10118 PWs) bands (ev): -12.9731 -12.9728 -12.8463 -12.8458 -12.2742 -12.2739 -12.0194 -12.0192 -10.5683 -10.5683 -10.3920 -10.3920 -7.8172 -7.8160 -7.7794 -7.7778 -2.1588 -2.1568 -2.1507 -2.1272 -1.4573 -1.4391 -1.3920 -1.3865 -1.1328 -1.0792 -0.8907 -0.8581 0.1028 0.1117 0.3225 0.4015 0.6196 0.6365 0.7647 0.7996 0.8369 0.8496 0.9386 1.1149 1.2028 1.2901 1.3318 1.3996 1.8683 1.9079 1.9161 1.9594 2.2317 2.2709 2.4557 2.4917 4.5233 4.5810 4.6303 4.6387 4.7884 4.8105 5.0323 5.0342 6.0220 6.0408 k =-0.1915 0.1507 0.0000 ( 10122 PWs) bands (ev): -12.9607 -12.9603 -12.8346 -12.8341 -12.2678 -12.2675 -12.0161 -12.0159 -10.5652 -10.5652 -10.3929 -10.3929 -7.8343 -7.8331 -7.7985 -7.7968 -2.1819 -2.1797 -2.1699 -2.1468 -1.4757 -1.4597 -1.4138 -1.4132 -1.1753 -1.1210 -0.9217 -0.8897 0.0876 0.0989 0.3109 0.3967 0.6116 0.6291 0.7679 0.7839 0.8042 0.8565 0.9229 1.1049 1.2279 1.3177 1.3439 1.3908 1.8571 1.9046 1.9157 1.9557 2.2126 2.2557 2.4444 2.4818 4.5484 4.6065 4.6611 4.6652 4.8157 4.8364 5.0570 5.0590 6.0614 6.0796 k =-0.2021 0.1591 0.0000 ( 10138 PWs) bands (ev): -12.9478 -12.9474 -12.8225 -12.8220 -12.2613 -12.2609 -12.0128 -12.0126 -10.5619 -10.5619 -10.3937 -10.3937 -7.8520 -7.8508 -7.8181 -7.8164 -2.2055 -2.2032 -2.1895 -2.1670 -1.4946 -1.4818 -1.4395 -1.4338 -1.2170 -1.1621 -0.9520 -0.9207 0.0729 0.0863 0.2987 0.3911 0.6017 0.6200 0.7377 0.7699 0.8006 0.8619 0.9074 1.0925 1.2541 1.3394 1.3596 1.3793 1.8482 1.9000 1.9132 1.9530 2.1938 2.2415 2.4325 2.4708 4.5745 4.6328 4.6928 4.6929 4.8438 4.8629 5.0808 5.0864 6.1012 6.1183 k =-0.2128 0.1675 0.0000 ( 10140 PWs) bands (ev): -12.9345 -12.9341 -12.8101 -12.8095 -12.2546 -12.2542 -12.0094 -12.0092 -10.5586 -10.5586 -10.3945 -10.3945 -7.8701 -7.8689 -7.8381 -7.8364 -2.2296 -2.2272 -2.2095 -2.1878 -1.5140 -1.5051 -1.4650 -1.4524 -1.2577 -1.2022 -0.9815 -0.9511 0.0590 0.0741 0.2861 0.3849 0.5890 0.6091 0.7082 0.7350 0.8167 0.8638 0.8936 1.0787 1.2800 1.3500 1.3659 1.3840 1.8415 1.8939 1.9072 1.9520 2.1757 2.2289 2.4202 2.4587 4.6013 4.6597 4.7217 4.7250 4.8724 4.8898 5.1059 5.1147 6.1411 6.1571 k =-0.2234 0.1759 0.0000 ( 10144 PWs) bands (ev): -12.9209 -12.9205 -12.7973 -12.7968 -12.2478 -12.2474 -12.0060 -12.0057 -10.5552 -10.5552 -10.3953 -10.3953 -7.8886 -7.8874 -7.8585 -7.8568 -2.2540 -2.2515 -2.2299 -2.2090 -1.5342 -1.5292 -1.4894 -1.4697 -1.2972 -1.2412 -1.0102 -0.9808 0.0459 0.0624 0.2732 0.3782 0.5719 0.5959 0.6816 0.7001 0.8315 0.8586 0.8850 1.0642 1.3042 1.3517 1.3552 1.4107 1.8367 1.8868 1.8971 1.9527 2.1586 2.2180 2.4077 2.4455 4.6284 4.6867 4.7512 4.7574 4.9014 4.9171 5.1322 5.1438 6.1811 6.1956 k =-0.2340 0.1842 0.0000 ( 10148 PWs) bands (ev): -12.9071 -12.9067 -12.7844 -12.7838 -12.2409 -12.2405 -12.0025 -12.0023 -10.5517 -10.5517 -10.3961 -10.3960 -7.9074 -7.9062 -7.8791 -7.8775 -2.2786 -2.2761 -2.2506 -2.2306 -1.5553 -1.5536 -1.5123 -1.4860 -1.3354 -1.2790 -1.0379 -1.0097 0.0338 0.0514 0.2599 0.3711 0.5491 0.5799 0.6598 0.6663 0.8444 0.8458 0.8821 1.0493 1.3210 1.3429 1.3582 1.4368 1.8333 1.8792 1.8831 1.9546 2.1428 2.2092 2.3951 2.4314 4.6554 4.7135 4.7813 4.7895 4.9305 4.9446 5.1600 5.1737 6.2209 6.2341 k =-0.2447 0.1926 0.0000 ( 10152 PWs) bands (ev): -12.8930 -12.8926 -12.7712 -12.7707 -12.2339 -12.2335 -11.9991 -11.9988 -10.5482 -10.5482 -10.3968 -10.3967 -7.9264 -7.9253 -7.9000 -7.8983 -2.3033 -2.3008 -2.2716 -2.2525 -1.5780 -1.5772 -1.5336 -1.5015 -1.3722 -1.3153 -1.0648 -1.0377 0.0229 0.0411 0.2465 0.3635 0.5204 0.5597 0.6350 0.6432 0.8297 0.8551 0.8806 1.0340 1.3131 1.3568 1.3598 1.4609 1.8300 1.8660 1.8722 1.9566 2.1286 2.2025 2.3826 2.4164 4.6818 4.7395 4.8115 4.8210 4.9597 4.9725 5.1891 5.2045 6.2606 6.2722 k =-0.2553 0.2010 0.0000 ( 10136 PWs) bands (ev): -12.8788 -12.8784 -12.7580 -12.7574 -12.2270 -12.2266 -11.9956 -11.9954 -10.5447 -10.5447 -10.3975 -10.3974 -7.9456 -7.9445 -7.9209 -7.9193 -2.3279 -2.3254 -2.2929 -2.2748 -1.6021 -1.5998 -1.5533 -1.5163 -1.4074 -1.3500 -1.0906 -1.0648 0.0131 0.0317 0.2327 0.3557 0.4872 0.5343 0.6078 0.6308 0.8127 0.8632 0.8782 1.0186 1.2984 1.3606 1.3764 1.4822 1.8256 1.8463 1.8672 1.9579 2.1161 2.1979 2.3704 2.4006 4.7073 4.7643 4.8415 4.8516 4.9888 5.0006 5.2197 5.2360 6.2999 6.3100 k =-0.2660 0.2094 0.0000 ( 10136 PWs) bands (ev): -12.8646 -12.8642 -12.7446 -12.7440 -12.2200 -12.2196 -11.9922 -11.9919 -10.5411 -10.5411 -10.3981 -10.3980 -7.9649 -7.9637 -7.9418 -7.9403 -2.3524 -2.3500 -2.3143 -2.2972 -1.6257 -1.6226 -1.5716 -1.5305 -1.4410 -1.3830 -1.1155 -1.0909 0.0047 0.0232 0.2188 0.3475 0.4511 0.5038 0.5849 0.6212 0.7951 0.8681 0.8745 1.0032 1.2840 1.3611 1.3949 1.4998 1.8196 1.8247 1.8652 1.9580 2.1054 2.1953 2.3588 2.3843 4.7315 4.7876 4.8712 4.8809 5.0177 5.0288 5.2514 5.2683 6.3387 6.3475 k =-0.2766 0.2177 0.0000 ( 10142 PWs) bands (ev): -12.8503 -12.8498 -12.7313 -12.7307 -12.2131 -12.2127 -11.9888 -11.9885 -10.5376 -10.5375 -10.3987 -10.3986 -7.9841 -7.9830 -7.9627 -7.9612 -2.3767 -2.3743 -2.3358 -2.3198 -1.6488 -1.6454 -1.5887 -1.5442 -1.4728 -1.4143 -1.1392 -1.1159 -0.0023 0.0155 0.2044 0.3388 0.4139 0.4702 0.5651 0.6134 0.7773 0.8695 0.8696 0.9877 1.2714 1.3616 1.4112 1.5127 1.8021 1.8130 1.8659 1.9564 2.0965 2.1945 2.3478 2.3674 4.7541 4.8089 4.9002 4.9090 5.0462 5.0571 5.2843 5.3013 6.3770 6.3844 k =-0.2872 0.2261 0.0000 ( 10148 PWs) bands (ev): -12.8360 -12.8356 -12.7179 -12.7174 -12.2063 -12.2059 -11.9855 -11.9852 -10.5340 -10.5340 -10.3992 -10.3991 -8.0032 -8.0022 -7.9834 -7.9819 -2.4006 -2.3982 -2.3573 -2.3424 -1.6712 -1.6679 -1.6048 -1.5573 -1.5027 -1.4438 -1.1620 -1.1400 -0.0080 0.0086 0.1895 0.3292 0.3766 0.4359 0.5470 0.6068 0.7593 0.8634 0.8674 0.9719 1.2613 1.3624 1.4250 1.5197 1.7793 1.8075 1.8682 1.9529 2.0893 2.1952 2.3375 2.3503 4.7749 4.8281 4.9282 4.9356 5.0743 5.0853 5.3182 5.3348 6.4147 6.4208 k =-0.2979 0.2345 0.0000 ( 10154 PWs) bands (ev): -12.8218 -12.8214 -12.7047 -12.7042 -12.1996 -12.1992 -11.9823 -11.9820 -10.5305 -10.5305 -10.3997 -10.3996 -8.0222 -8.0211 -8.0038 -8.0024 -2.4240 -2.4217 -2.3787 -2.3649 -1.6928 -1.6897 -1.6200 -1.5700 -1.5306 -1.4714 -1.1836 -1.1630 -0.0123 0.0024 0.1735 0.3179 0.3405 0.4032 0.5298 0.6010 0.7410 0.8562 0.8619 0.9555 1.2541 1.3636 1.4356 1.5204 1.7574 1.8045 1.8714 1.9475 2.0838 2.1972 2.3280 2.3329 4.7938 4.8449 4.9549 4.9608 5.1017 5.1130 5.3526 5.3687 6.4516 6.4566 k =-0.3085 0.2429 0.0000 ( 10162 PWs) bands (ev): -12.8079 -12.8074 -12.6917 -12.6911 -12.1930 -12.1926 -11.9791 -11.9788 -10.5270 -10.5270 -10.4001 -10.4000 -8.0408 -8.0398 -8.0239 -8.0225 -2.4469 -2.4447 -2.3999 -2.3873 -1.7136 -1.7109 -1.6343 -1.5826 -1.5561 -1.4971 -1.2042 -1.1848 -0.0152 -0.0035 0.1560 0.3029 0.3067 0.3750 0.5132 0.5957 0.7224 0.8482 0.8534 0.9381 1.2502 1.3652 1.4425 1.5145 1.7373 1.8045 1.8750 1.9402 2.0798 2.2001 2.3156 2.3193 4.8107 4.8595 4.9803 4.9846 5.1283 5.1401 5.3875 5.4027 6.4877 6.4917 k =-0.3191 0.2512 0.0000 ( 10158 PWs) bands (ev): -12.7941 -12.7937 -12.6789 -12.6783 -12.1866 -12.1862 -11.9761 -11.9758 -10.5236 -10.5235 -10.4005 -10.4003 -8.0591 -8.0582 -8.0436 -8.0422 -2.4691 -2.4670 -2.4209 -2.4093 -1.7334 -1.7312 -1.6478 -1.5960 -1.5783 -1.5210 -1.2237 -1.2056 -0.0169 -0.0093 0.1362 0.2767 0.2827 0.3539 0.4971 0.5907 0.7035 0.8398 0.8426 0.9192 1.2494 1.3674 1.4451 1.5028 1.7204 1.8073 1.8787 1.9312 2.0773 2.2035 2.2984 2.3112 4.8258 4.8718 5.0041 5.0069 5.1540 5.1662 5.4225 5.4367 6.5228 6.5261 k =-0.3298 0.2596 0.0000 ( 10164 PWs) bands (ev): -12.7807 -12.7802 -12.6664 -12.6658 -12.1805 -12.1800 -11.9731 -11.9729 -10.5202 -10.5202 -10.4007 -10.4006 -8.0770 -8.0761 -8.0627 -8.0614 -2.4905 -2.4885 -2.4415 -2.4310 -1.7523 -1.7505 -1.6605 -1.6122 -1.5952 -1.5430 -1.2420 -1.2252 -0.0175 -0.0155 0.1135 0.2514 0.2582 0.3399 0.4814 0.5859 0.6841 0.8302 0.8310 0.8988 1.2514 1.3698 1.4426 1.4864 1.7077 1.8120 1.8824 1.9210 2.0761 2.2071 2.2815 2.3036 4.8389 4.8821 5.0262 5.0277 5.1786 5.1912 5.4572 5.4704 6.5570 6.5595 k =-0.3404 0.2680 0.0000 ( 10166 PWs) bands (ev): -12.7676 -12.7672 -12.6542 -12.6537 -12.1745 -12.1741 -11.9703 -11.9701 -10.5170 -10.5169 -10.4010 -10.4009 -8.0943 -8.0934 -8.0812 -8.0799 -2.5111 -2.5092 -2.4617 -2.4521 -1.7702 -1.7688 -1.6723 -1.6306 -1.6074 -1.5631 -1.2593 -1.2437 -0.0228 -0.0172 0.0881 0.2315 0.2327 0.3307 0.4664 0.5811 0.6642 0.8167 0.8223 0.8770 1.2558 1.3726 1.4352 1.4665 1.6997 1.8177 1.8860 1.9098 2.0762 2.2103 2.2649 2.2965 4.8504 4.8905 5.0465 5.0470 5.2020 5.2147 5.4914 5.5035 6.5900 6.5920 k =-0.3511 0.2764 0.0000 ( 10154 PWs) bands (ev): -12.7550 -12.7546 -12.6425 -12.6420 -12.1688 -12.1684 -11.9677 -11.9674 -10.5138 -10.5138 -10.4012 -10.4010 -8.1110 -8.1102 -8.0989 -8.0978 -2.5308 -2.5290 -2.4812 -2.4726 -1.7871 -1.7861 -1.6833 -1.6488 -1.6174 -1.5814 -1.2754 -1.2610 -0.0318 -0.0168 0.0613 0.2091 0.2167 0.3242 0.4522 0.5762 0.6439 0.8024 0.8137 0.8539 1.2621 1.3755 1.4230 1.4443 1.6966 1.8234 1.8895 1.8981 2.0775 2.2129 2.2488 2.2898 4.8603 4.8973 5.0647 5.0650 5.2241 5.2368 5.5248 5.5357 6.6218 6.6234 k =-0.3617 0.2847 0.0000 ( 10168 PWs) bands (ev): -12.7429 -12.7425 -12.6313 -12.6308 -12.1634 -12.1630 -11.9652 -11.9649 -10.5108 -10.5108 -10.4013 -10.4012 -8.1269 -8.1262 -8.1159 -8.1148 -2.5495 -2.5478 -2.5000 -2.4923 -1.8029 -1.8023 -1.6935 -1.6657 -1.6263 -1.5980 -1.2904 -1.2772 -0.0433 -0.0186 0.0363 0.1891 0.2063 0.3195 0.4391 0.5708 0.6230 0.7875 0.8054 0.8304 1.2698 1.3784 1.4072 1.4209 1.6978 1.8286 1.8863 1.8928 2.0800 2.2144 2.2333 2.2835 4.8687 4.9026 5.0809 5.0818 5.2447 5.2572 5.5571 5.5669 6.6524 6.6536 k =-0.3723 0.2931 0.0000 ( 10168 PWs) bands (ev): -12.7313 -12.7310 -12.6206 -12.6201 -12.1583 -12.1579 -11.9628 -11.9626 -10.5079 -10.5079 -10.4014 -10.4013 -8.1421 -8.1414 -8.1320 -8.1310 -2.5671 -2.5655 -2.5179 -2.5111 -1.8176 -1.8173 -1.7029 -1.6811 -1.6343 -1.6129 -1.3043 -1.2922 -0.0576 -0.0282 0.0198 0.1735 0.1996 0.3161 0.4274 0.5649 0.6016 0.7714 0.7975 0.8075 1.2782 1.3807 1.3891 1.3974 1.7024 1.8328 1.8748 1.8961 2.0835 2.2144 2.2185 2.2776 4.8758 4.9068 5.0955 5.0969 5.2639 5.2759 5.5879 5.5967 6.6815 6.6825 k =-0.3830 0.3015 0.0000 ( 10164 PWs) bands (ev): -12.7204 -12.7201 -12.6105 -12.6100 -12.1535 -12.1531 -11.9606 -11.9604 -10.5052 -10.5052 -10.4014 -10.4013 -8.1564 -8.1557 -8.1471 -8.1462 -2.5835 -2.5821 -2.5349 -2.5289 -1.8312 -1.8312 -1.7115 -1.6950 -1.6416 -1.6261 -1.3170 -1.3061 -0.0744 -0.0490 0.0160 0.1625 0.1960 0.3137 0.4173 0.5583 0.5798 0.7526 0.7874 0.7902 1.2867 1.3700 1.3708 1.3860 1.7097 1.8358 1.8641 1.8990 2.0880 2.2047 2.2126 2.2722 4.8819 4.9099 5.1086 5.1102 5.2815 5.2929 5.6171 5.6249 6.7091 6.7099 k =-0.3936 0.3099 0.0000 ( 10160 PWs) bands (ev): -12.7103 -12.7099 -12.6010 -12.6006 -12.1490 -12.1487 -11.9586 -11.9584 -10.5027 -10.5026 -10.4014 -10.4013 -8.1697 -8.1691 -8.1613 -8.1604 -2.5988 -2.5974 -2.5509 -2.5455 -1.8439 -1.8436 -1.7193 -1.7073 -1.6482 -1.6378 -1.3286 -1.3188 -0.0931 -0.0745 0.0189 0.1553 0.1953 0.3124 0.4093 0.5507 0.5577 0.7300 0.7716 0.7833 1.2942 1.3480 1.3518 1.3877 1.7189 1.8377 1.8543 1.9015 2.0932 2.1920 2.2089 2.2673 4.8870 4.9121 5.1203 5.1220 5.2976 5.3083 5.6445 5.6513 6.7350 6.7358 k =-0.4043 0.3182 0.0000 ( 10156 PWs) bands (ev): -12.7008 -12.7005 -12.5923 -12.5919 -12.1450 -12.1447 -11.9568 -11.9566 -10.5003 -10.5003 -10.4014 -10.4013 -8.1820 -8.1815 -8.1743 -8.1735 -2.6127 -2.6115 -2.5656 -2.5610 -1.8554 -1.8550 -1.7265 -1.7181 -1.6542 -1.6479 -1.3390 -1.3303 -0.1129 -0.1003 0.0244 0.1509 0.1972 0.3121 0.4035 0.5354 0.5421 0.7043 0.7600 0.7771 1.2975 1.3256 1.3379 1.3896 1.7295 1.8384 1.8459 1.9034 2.0987 2.1808 2.2034 2.2627 4.8913 4.9135 5.1306 5.1323 5.3121 5.3220 5.6697 5.6757 6.7592 6.7598 k =-0.4149 0.3266 0.0000 ( 10152 PWs) bands (ev): -12.6922 -12.6920 -12.5843 -12.5840 -12.1413 -12.1410 -11.9551 -11.9550 -10.4982 -10.4981 -10.4013 -10.4012 -8.1932 -8.1927 -8.1861 -8.1854 -2.6253 -2.6242 -2.5791 -2.5751 -1.8656 -1.8652 -1.7329 -1.7275 -1.6595 -1.6565 -1.3483 -1.3406 -0.1327 -0.1248 0.0312 0.1479 0.2015 0.3132 0.4002 0.5133 0.5324 0.6770 0.7514 0.7713 1.2915 1.3046 1.3342 1.3912 1.7409 1.8381 1.8391 1.9045 2.1041 2.1718 2.1964 2.2581 4.8949 4.9144 5.1395 5.1412 5.3251 5.3340 5.6927 5.6979 6.7814 6.7820 k =-0.4255 0.3350 0.0000 ( 10172 PWs) bands (ev): -12.6845 -12.6843 -12.5772 -12.5769 -12.1380 -12.1378 -11.9537 -11.9535 -10.4962 -10.4962 -10.4013 -10.4012 -8.2033 -8.2029 -8.1967 -8.1961 -2.6366 -2.6356 -2.5912 -2.5878 -1.8747 -1.8742 -1.7386 -1.7356 -1.6643 -1.6637 -1.3565 -1.3498 -0.1519 -0.1473 0.0389 0.1453 0.2082 0.3158 0.3994 0.4915 0.5217 0.6490 0.7451 0.7661 1.2783 1.2852 1.3387 1.3923 1.7527 1.8342 1.8369 1.9046 2.1086 2.1658 2.1881 2.2533 4.8979 4.9148 5.1472 5.1487 5.3365 5.3445 5.7134 5.7178 6.8015 6.8021 k =-0.4362 0.3434 0.0000 ( 10170 PWs) bands (ev): -12.6777 -12.6775 -12.5709 -12.5706 -12.1351 -12.1349 -11.9524 -11.9523 -10.4945 -10.4945 -10.4012 -10.4011 -8.2121 -8.2117 -8.2060 -8.2054 -2.6464 -2.6456 -2.6019 -2.5990 -1.8826 -1.8820 -1.7436 -1.7423 -1.6696 -1.6686 -1.3635 -1.3578 -0.1696 -0.1673 0.0471 0.1422 0.2171 0.3201 0.4009 0.4708 0.5099 0.6208 0.7407 0.7614 1.2637 1.2677 1.3457 1.3929 1.7644 1.8315 1.8348 1.9035 2.1115 2.1637 2.1789 2.2481 4.9005 4.9148 5.1536 5.1550 5.3465 5.3534 5.7315 5.7352 6.8194 6.8199 k =-0.4468 0.3517 0.0000 ( 10166 PWs) bands (ev): -12.6719 -12.6717 -12.5655 -12.5653 -12.1327 -12.1325 -11.9513 -11.9512 -10.4930 -10.4930 -10.4011 -10.4011 -8.2196 -8.2193 -8.2139 -8.2135 -2.6547 -2.6540 -2.6110 -2.6087 -1.8892 -1.8887 -1.7480 -1.7478 -1.6742 -1.6723 -1.3694 -1.3647 -0.1855 -0.1846 0.0557 0.1381 0.2280 0.3256 0.4041 0.4524 0.4974 0.5930 0.7380 0.7570 1.2500 1.2526 1.3532 1.3928 1.7754 1.8314 1.8319 1.9011 2.1128 2.1656 2.1693 2.2422 4.9026 4.9145 5.1590 5.1601 5.3549 5.3607 5.7470 5.7500 6.8348 6.8353 k =-0.4574 0.3601 0.0000 ( 10176 PWs) bands (ev): -12.6671 -12.6669 -12.5610 -12.5608 -12.1306 -12.1305 -11.9504 -11.9503 -10.4918 -10.4918 -10.4011 -10.4010 -8.2259 -8.2256 -8.2205 -8.2201 -2.6616 -2.6611 -2.6185 -2.6167 -1.8946 -1.8942 -1.7522 -1.7517 -1.6777 -1.6754 -1.3741 -1.3704 -0.1989 -0.1989 0.0645 0.1327 0.2407 0.3308 0.4076 0.4391 0.4842 0.5658 0.7366 0.7531 1.2383 1.2399 1.3603 1.3921 1.7851 1.8285 1.8342 1.8972 2.1133 2.1595 2.1707 2.2357 4.9045 4.9140 5.1633 5.1642 5.3619 5.3666 5.7598 5.7622 6.8477 6.8481 k =-0.4681 0.3685 0.0000 ( 10176 PWs) bands (ev): -12.6633 -12.6631 -12.5575 -12.5574 -12.1291 -12.1290 -11.9497 -11.9497 -10.4909 -10.4909 -10.4010 -10.4010 -8.2308 -8.2306 -8.2256 -8.2253 -2.6670 -2.6665 -2.6243 -2.6230 -1.8988 -1.8985 -1.7554 -1.7547 -1.6802 -1.6780 -1.3777 -1.3749 -0.2102 -0.2098 0.0736 0.1260 0.2550 0.3329 0.4090 0.4361 0.4706 0.5398 0.7364 0.7495 1.2288 1.2298 1.3669 1.3907 1.7932 1.8244 1.8400 1.8917 2.1142 2.1500 2.1778 2.2285 4.9062 4.9132 5.1666 5.1673 5.3674 5.3709 5.7699 5.7717 6.8579 6.8582 k =-0.4787 0.3769 0.0000 ( 10174 PWs) bands (ev): -12.6605 -12.6604 -12.5550 -12.5549 -12.1279 -12.1278 -11.9492 -11.9492 -10.4902 -10.4902 -10.4010 -10.4009 -8.2343 -8.2341 -8.2293 -8.2291 -2.6708 -2.6705 -2.6285 -2.6276 -1.9018 -1.9015 -1.7576 -1.7569 -1.6817 -1.6801 -1.3801 -1.3782 -0.2182 -0.2178 0.0828 0.1184 0.2705 0.3286 0.4112 0.4434 0.4568 0.5153 0.7372 0.7462 1.2219 1.2225 1.3727 1.3886 1.7997 1.8200 1.8480 1.8847 2.1165 2.1410 2.1861 2.2207 4.9077 4.9124 5.1690 5.1695 5.3715 5.3739 5.7773 5.7784 6.8653 6.8655 k =-0.4894 0.3852 0.0000 ( 10174 PWs) bands (ev): -12.6589 -12.6588 -12.5535 -12.5534 -12.1272 -12.1272 -11.9489 -11.9489 -10.4898 -10.4898 -10.4009 -10.4009 -8.2364 -8.2363 -8.2315 -8.2314 -2.6730 -2.6729 -2.6309 -2.6305 -1.9036 -1.9034 -1.7587 -1.7584 -1.6824 -1.6815 -1.3814 -1.3804 -0.2230 -0.2227 0.0920 0.1100 0.2867 0.3176 0.4186 0.4431 0.4563 0.4928 0.7386 0.7432 1.2177 1.2180 1.3778 1.3857 1.8053 1.8153 1.8574 1.8764 2.1203 2.1328 2.1948 2.2124 4.9090 4.9114 5.1704 5.1707 5.3742 5.3754 5.7818 5.7824 6.8697 6.8698 k =-0.5000 0.3936 0.0000 ( 10174 PWs) bands (ev): -12.6583 -12.6583 -12.5529 -12.5529 -12.1270 -12.1270 -11.9488 -11.9488 -10.4896 -10.4896 -10.4009 -10.4009 -8.2370 -8.2370 -8.2322 -8.2322 -2.6738 -2.6738 -2.6316 -2.6316 -1.9041 -1.9041 -1.7590 -1.7590 -1.6823 -1.6823 -1.3815 -1.3815 -0.2244 -0.2244 0.1012 0.1012 0.3029 0.3029 0.4300 0.4300 0.4730 0.4730 0.7407 0.7407 1.2164 1.2164 1.3822 1.3822 1.8104 1.8104 1.8671 1.8671 2.1258 2.1258 2.2037 2.2037 4.9103 4.9103 5.1710 5.1710 5.3755 5.3755 5.7835 5.7835 6.8713 6.8713 k =-0.5000 0.3936 0.0000 ( 10174 PWs) bands (ev): -12.6583 -12.6583 -12.5529 -12.5529 -12.1270 -12.1270 -11.9488 -11.9488 -10.4896 -10.4896 -10.4009 -10.4009 -8.2370 -8.2370 -8.2322 -8.2322 -2.6738 -2.6738 -2.6316 -2.6316 -1.9041 -1.9041 -1.7590 -1.7590 -1.6823 -1.6823 -1.3815 -1.3815 -0.2244 -0.2244 0.1012 0.1012 0.3029 0.3029 0.4300 0.4300 0.4730 0.4730 0.7407 0.7407 1.2164 1.2164 1.3822 1.3822 1.8104 1.8104 1.8671 1.8671 2.1258 2.1258 2.2037 2.2037 4.9103 4.9103 5.1710 5.1710 5.3755 5.3755 5.7835 5.7835 6.8713 6.8713 k =-0.4921 0.4037-0.0000 ( 10158 PWs) bands (ev): -12.6584 -12.6584 -12.5532 -12.5532 -12.1269 -12.1269 -11.9490 -11.9490 -10.4898 -10.4898 -10.4012 -10.4012 -8.2368 -8.2368 -8.2320 -8.2320 -2.6732 -2.6732 -2.6314 -2.6314 -1.9039 -1.9039 -1.7589 -1.7589 -1.6821 -1.6821 -1.3817 -1.3817 -0.2240 -0.2240 0.1009 0.1009 0.3026 0.3026 0.4295 0.4295 0.4734 0.4734 0.7394 0.7394 1.2196 1.2196 1.3838 1.3838 1.8109 1.8109 1.8669 1.8669 2.1269 2.1269 2.2041 2.2041 4.9124 4.9124 5.1719 5.1719 5.3748 5.3748 5.7816 5.7816 6.8708 6.8708 k =-0.4842 0.4137-0.0000 ( 10158 PWs) bands (ev): -12.6586 -12.6586 -12.5539 -12.5539 -12.1265 -12.1265 -11.9495 -11.9495 -10.4902 -10.4902 -10.4020 -10.4020 -8.2361 -8.2361 -8.2315 -8.2315 -2.6716 -2.6716 -2.6308 -2.6308 -1.9034 -1.9034 -1.7587 -1.7587 -1.6816 -1.6816 -1.3823 -1.3823 -0.2226 -0.2226 0.0999 0.0999 0.3017 0.3017 0.4281 0.4281 0.4748 0.4748 0.7354 0.7354 1.2291 1.2291 1.3888 1.3888 1.8124 1.8124 1.8664 1.8664 2.1300 2.1300 2.2053 2.2053 4.9189 4.9189 5.1744 5.1744 5.3728 5.3728 5.7759 5.7759 6.8695 6.8695 k =-0.4762 0.4238-0.0000 ( 10162 PWs) bands (ev): -12.6589 -12.6589 -12.5552 -12.5552 -12.1260 -12.1260 -11.9505 -11.9505 -10.4908 -10.4908 -10.4034 -10.4034 -8.2350 -8.2350 -8.2306 -8.2306 -2.6690 -2.6690 -2.6298 -2.6298 -1.9025 -1.9025 -1.7586 -1.7586 -1.6807 -1.6807 -1.3833 -1.3833 -0.2203 -0.2203 0.0983 0.0983 0.3004 0.3004 0.4260 0.4260 0.4772 0.4772 0.7288 0.7288 1.2444 1.2444 1.3971 1.3971 1.8143 1.8143 1.8660 1.8660 2.1353 2.1353 2.2074 2.2074 4.9295 4.9295 5.1785 5.1785 5.3695 5.3695 5.7664 5.7664 6.8672 6.8672 k =-0.4683 0.4339-0.0000 ( 10176 PWs) bands (ev): -12.6594 -12.6594 -12.5570 -12.5570 -12.1252 -12.1252 -11.9517 -11.9517 -10.4917 -10.4917 -10.4052 -10.4052 -8.2334 -8.2334 -8.2294 -8.2294 -2.6653 -2.6653 -2.6283 -2.6283 -1.9012 -1.9012 -1.7586 -1.7586 -1.6791 -1.6791 -1.3847 -1.3847 -0.2170 -0.2170 0.0959 0.0959 0.2988 0.2988 0.4236 0.4236 0.4808 0.4808 0.7197 0.7197 1.2647 1.2647 1.4085 1.4085 1.8161 1.8161 1.8666 1.8666 2.1426 2.1426 2.2104 2.2104 4.9440 4.9440 5.1841 5.1841 5.3650 5.3650 5.7534 5.7534 6.8640 6.8640 k =-0.4604 0.4439-0.0000 ( 10172 PWs) bands (ev): -12.6600 -12.6600 -12.5593 -12.5593 -12.1242 -12.1242 -11.9534 -11.9534 -10.4928 -10.4928 -10.4076 -10.4076 -8.2314 -8.2314 -8.2278 -8.2278 -2.6606 -2.6606 -2.6264 -2.6264 -1.8995 -1.8995 -1.7589 -1.7589 -1.6765 -1.6765 -1.3866 -1.3866 -0.2127 -0.2127 0.0927 0.0927 0.2972 0.2973 0.4208 0.4208 0.4858 0.4858 0.7081 0.7082 1.2893 1.2893 1.4229 1.4229 1.8167 1.8167 1.8693 1.8693 2.1521 2.1521 2.2143 2.2143 4.9622 4.9622 5.1908 5.1908 5.3595 5.3595 5.7371 5.7371 6.8599 6.8599 k =-0.4525 0.4540-0.0000 ( 10168 PWs) bands (ev): -12.6608 -12.6608 -12.5621 -12.5621 -12.1230 -12.1230 -11.9554 -11.9554 -10.4941 -10.4941 -10.4105 -10.4105 -8.2289 -8.2289 -8.2259 -8.2259 -2.6550 -2.6550 -2.6240 -2.6240 -1.8973 -1.8973 -1.7598 -1.7598 -1.6728 -1.6728 -1.3891 -1.3891 -0.2074 -0.2074 0.0887 0.0887 0.2959 0.2960 0.4178 0.4178 0.4925 0.4925 0.6944 0.6944 1.3171 1.3171 1.4402 1.4402 1.8155 1.8155 1.8752 1.8752 2.1635 2.1635 2.2193 2.2193 4.9837 4.9837 5.1985 5.1985 5.3530 5.3530 5.7178 5.7178 6.8550 6.8550 k =-0.4445 0.4641-0.0000 ( 10176 PWs) bands (ev): -12.6617 -12.6617 -12.5655 -12.5655 -12.1216 -12.1216 -11.9578 -11.9578 -10.4956 -10.4956 -10.4139 -10.4139 -8.2260 -8.2260 -8.2236 -8.2236 -2.6483 -2.6483 -2.6211 -2.6211 -1.8946 -1.8946 -1.7613 -1.7613 -1.6678 -1.6678 -1.3922 -1.3922 -0.2012 -0.2012 0.0841 0.0841 0.2951 0.2951 0.4144 0.4144 0.5008 0.5009 0.6787 0.6787 1.3473 1.3473 1.4597 1.4598 1.8126 1.8126 1.8845 1.8845 2.1766 2.1766 2.2254 2.2254 5.0079 5.0079 5.2067 5.2067 5.3459 5.3460 5.6957 5.6957 6.8491 6.8491 k =-0.4366 0.4741-0.0000 ( 10182 PWs) bands (ev): -12.6628 -12.6628 -12.5693 -12.5693 -12.1200 -12.1200 -11.9605 -11.9605 -10.4972 -10.4972 -10.4177 -10.4177 -8.2226 -8.2226 -8.2209 -8.2209 -2.6408 -2.6408 -2.6176 -2.6176 -1.8914 -1.8914 -1.7635 -1.7635 -1.6613 -1.6613 -1.3960 -1.3960 -0.1939 -0.1939 0.0792 0.0792 0.2948 0.2948 0.4109 0.4109 0.5105 0.5105 0.6617 0.6617 1.3789 1.3789 1.4811 1.4811 1.8090 1.8090 1.8971 1.8971 2.1910 2.1910 2.2329 2.2329 5.0345 5.0345 5.2150 5.2150 5.3385 5.3385 5.6712 5.6712 6.8422 6.8422 k =-0.4287 0.4842-0.0000 ( 10186 PWs) bands (ev): -12.6641 -12.6641 -12.5737 -12.5737 -12.1183 -12.1183 -11.9636 -11.9636 -10.4990 -10.4990 -10.4219 -10.4219 -8.2188 -8.2188 -8.2177 -8.2177 -2.6324 -2.6324 -2.6135 -2.6135 -1.8875 -1.8875 -1.7662 -1.7662 -1.6533 -1.6533 -1.4004 -1.4004 -0.1856 -0.1856 0.0746 0.0746 0.2948 0.2948 0.4074 0.4074 0.5208 0.5208 0.6443 0.6443 1.4113 1.4113 1.5032 1.5032 1.8061 1.8061 1.9125 1.9125 2.2060 2.2060 2.2421 2.2421 5.0628 5.0628 5.2228 5.2228 5.3312 5.3312 5.6447 5.6447 6.8345 6.8345 k =-0.4208 0.4943-0.0000 ( 10182 PWs) bands (ev): -12.6656 -12.6656 -12.5786 -12.5786 -12.1163 -12.1163 -11.9671 -11.9671 -10.5010 -10.5010 -10.4265 -10.4265 -8.2147 -8.2146 -8.2140 -8.2140 -2.6233 -2.6233 -2.6086 -2.6086 -1.8830 -1.8830 -1.7694 -1.7694 -1.6439 -1.6439 -1.4056 -1.4056 -0.1762 -0.1762 0.0706 0.0706 0.2947 0.2948 0.4042 0.4042 0.5299 0.5299 0.6284 0.6285 1.4438 1.4438 1.5249 1.5249 1.8052 1.8052 1.9304 1.9305 2.2210 2.2210 2.2537 2.2537 5.0922 5.0922 5.2295 5.2295 5.3245 5.3245 5.6167 5.6167 6.8257 6.8257 k =-0.4129 0.5043-0.0000 ( 10170 PWs) bands (ev): -12.6673 -12.6673 -12.5840 -12.5840 -12.1142 -12.1142 -11.9710 -11.9710 -10.5030 -10.5030 -10.4314 -10.4314 -8.2105 -8.2105 -8.2093 -8.2093 -2.6137 -2.6137 -2.6027 -2.6027 -1.8779 -1.8779 -1.7729 -1.7729 -1.6332 -1.6332 -1.4115 -1.4115 -0.1659 -0.1659 0.0677 0.0677 0.2940 0.2941 0.4016 0.4016 0.5341 0.5341 0.6181 0.6181 1.4758 1.4758 1.5446 1.5446 1.8082 1.8082 1.9508 1.9508 2.2350 2.2350 2.2680 2.2681 5.1219 5.1219 5.2342 5.2342 5.3192 5.3192 5.5875 5.5875 6.8161 6.8161 k =-0.4049 0.5144-0.0000 ( 10170 PWs) bands (ev): -12.6692 -12.6692 -12.5899 -12.5899 -12.1120 -12.1120 -11.9752 -11.9752 -10.5050 -10.5050 -10.4366 -10.4366 -8.2061 -8.2061 -8.2041 -8.2041 -2.6040 -2.6040 -2.5955 -2.5955 -1.8720 -1.8720 -1.7764 -1.7764 -1.6211 -1.6211 -1.4181 -1.4180 -0.1546 -0.1546 0.0664 0.0664 0.2921 0.2922 0.3997 0.3998 0.5290 0.5290 0.6180 0.6180 1.5065 1.5065 1.5609 1.5609 1.8166 1.8167 1.9733 1.9734 2.2480 2.2480 2.2849 2.2849 5.1511 5.1511 5.2363 5.2363 5.3161 5.3161 5.5577 5.5577 6.8054 6.8054 k =-0.4049 0.5144-0.0000 ( 10170 PWs) bands (ev): -12.6692 -12.6692 -12.5899 -12.5899 -12.1120 -12.1120 -11.9752 -11.9752 -10.5050 -10.5050 -10.4366 -10.4366 -8.2061 -8.2061 -8.2041 -8.2041 -2.6040 -2.6040 -2.5955 -2.5955 -1.8720 -1.8720 -1.7764 -1.7764 -1.6211 -1.6211 -1.4181 -1.4180 -0.1546 -0.1546 0.0664 0.0664 0.2921 0.2922 0.3997 0.3998 0.5290 0.5290 0.6180 0.6180 1.5065 1.5065 1.5609 1.5609 1.8166 1.8167 1.9733 1.9734 2.2480 2.2480 2.2849 2.2849 5.1511 5.1511 5.2363 5.2363 5.3161 5.3161 5.5577 5.5577 6.8054 6.8054 k =-0.4049 0.5144 0.0127 ( 10170 PWs) bands (ev): -12.6690 -12.6689 -12.5904 -12.5903 -12.1114 -12.1113 -11.9758 -11.9757 -10.5047 -10.5047 -10.4369 -10.4369 -8.2061 -8.2060 -8.2041 -8.2041 -2.6046 -2.6032 -2.5955 -2.5955 -1.8737 -1.8712 -1.7782 -1.7760 -1.6200 -1.6192 -1.4188 -1.4173 -0.1572 -0.1498 0.0539 0.0722 0.2870 0.2885 0.3944 0.4079 0.5291 0.5443 0.6136 0.6207 1.5004 1.5091 1.5510 1.5661 1.8140 1.8184 1.9623 1.9921 2.2396 2.2422 2.2881 2.2939 5.1450 5.1491 5.2360 5.2425 5.3163 5.3166 5.5555 5.5615 6.8054 6.8056 k =-0.4049 0.5144 0.0254 ( 10168 PWs) bands (ev): -12.6681 -12.6681 -12.5917 -12.5916 -12.1095 -12.1093 -11.9774 -11.9773 -10.5038 -10.5037 -10.4378 -10.4377 -8.2061 -8.2060 -8.2041 -8.2041 -2.6052 -2.6024 -2.5954 -2.5954 -1.8764 -1.8714 -1.7814 -1.7771 -1.6159 -1.6142 -1.4197 -1.4167 -0.1577 -0.1430 0.0374 0.0705 0.2699 0.2776 0.4037 0.4134 0.5481 0.5601 0.6058 0.6285 1.4904 1.5080 1.5372 1.5665 1.8130 1.8177 1.9601 2.0157 2.2246 2.2284 2.2978 2.3073 5.1332 5.1408 5.2368 5.2524 5.3176 5.3198 5.5550 5.5664 6.8056 6.8060 k =-0.4049 0.5144 0.0381 ( 10162 PWs) bands (ev): -12.6668 -12.6667 -12.5937 -12.5936 -12.1063 -12.1061 -11.9801 -11.9799 -10.5024 -10.5022 -10.4392 -10.4390 -8.2061 -8.2059 -8.2042 -8.2041 -2.6058 -2.6016 -2.5953 -2.5952 -1.8795 -1.8724 -1.7859 -1.7799 -1.6088 -1.6064 -1.4206 -1.4164 -0.1566 -0.1346 0.0198 0.0625 0.2407 0.2637 0.4234 0.4259 0.5626 0.5747 0.5985 0.6501 1.4757 1.5027 1.5209 1.5630 1.8152 1.8153 1.9650 2.0412 2.2083 2.2141 2.3075 2.3203 5.1196 5.1299 5.2328 5.2591 5.3229 5.3298 5.5559 5.5716 6.8060 6.8066 k =-0.4049 0.5144 0.0508 ( 10168 PWs) bands (ev): -12.6648 -12.6647 -12.5965 -12.5963 -12.1020 -12.1017 -11.9838 -11.9836 -10.5003 -10.5001 -10.4411 -10.4409 -8.2061 -8.2058 -8.2042 -8.2042 -2.6062 -2.6008 -2.5952 -2.5950 -1.8827 -1.8738 -1.7916 -1.7844 -1.5992 -1.5960 -1.4219 -1.4167 -0.1542 -0.1258 0.0040 0.0503 0.2077 0.2467 0.4406 0.4533 0.5541 0.5739 0.6204 0.6820 1.4557 1.4929 1.5041 1.5563 1.8135 1.8217 1.9727 2.0652 2.1935 2.2026 2.3155 2.3315 5.1062 5.1189 5.2228 5.2572 5.3360 5.3459 5.5575 5.5764 6.8065 6.8073 k =-0.4049 0.5144 0.0635 ( 10170 PWs) bands (ev): -12.6624 -12.6623 -12.6000 -12.5997 -12.0966 -12.0963 -11.9885 -11.9882 -10.4977 -10.4975 -10.4435 -10.4432 -8.2060 -8.2058 -8.2043 -8.2042 -2.6066 -2.6000 -2.5951 -2.5949 -1.8857 -1.8751 -1.7984 -1.7903 -1.5875 -1.5836 -1.4237 -1.4179 -0.1510 -0.1183 -0.0075 0.0354 0.1752 0.2306 0.4597 0.4757 0.5472 0.5622 0.6554 0.7167 1.4315 1.4788 1.4874 1.5474 1.8143 1.8320 1.9789 2.0828 2.1848 2.1961 2.3210 2.3401 5.0944 5.1092 5.2086 5.2479 5.3550 5.3658 5.5591 5.5801 6.8073 6.8082 k =-0.4049 0.5144 0.0763 ( 10159 PWs) bands (ev): -12.6595 -12.6593 -12.6039 -12.6037 -12.0903 -12.0899 -11.9941 -11.9937 -10.4947 -10.4944 -10.4464 -10.4461 -8.2060 -8.2057 -8.2044 -8.2043 -2.6068 -2.5992 -2.5949 -2.5947 -1.8880 -1.8760 -1.8061 -1.7972 -1.5742 -1.5695 -1.4263 -1.4201 -0.1472 -0.1141 -0.0129 0.0185 0.1458 0.2192 0.4685 0.4763 0.5597 0.5610 0.6893 0.7501 1.4052 1.4620 1.4707 1.5367 1.8182 1.8454 1.9807 2.0875 2.1878 2.1963 2.3237 2.3459 5.0847 5.1014 5.1921 5.2346 5.3766 5.3875 5.5600 5.5822 6.8084 6.8093 k =-0.4049 0.5144 0.0890 ( 10164 PWs) bands (ev): -12.6561 -12.6559 -12.6084 -12.6081 -12.0832 -12.0827 -12.0004 -12.0000 -10.4913 -10.4909 -10.4496 -10.4493 -8.2060 -8.2056 -8.2044 -8.2044 -2.6071 -2.5984 -2.5947 -2.5945 -1.8896 -1.8761 -1.8143 -1.8048 -1.5599 -1.5543 -1.4299 -1.4238 -0.1429 -0.1137 -0.0130 -0.0002 0.1220 0.2149 0.4579 0.4580 0.5786 0.5889 0.7194 0.7800 1.3792 1.4444 1.4539 1.5245 1.8248 1.8612 1.9773 2.0791 2.2028 2.2030 2.3235 2.3486 5.0776 5.0958 5.1750 5.2197 5.3987 5.4095 5.5597 5.5824 6.8096 6.8106 k =-0.4049 0.5144 0.1017 ( 10175 PWs) bands (ev): -12.6523 -12.6521 -12.6132 -12.6129 -12.0754 -12.0749 -12.0075 -12.0071 -10.4874 -10.4871 -10.4533 -10.4529 -8.2059 -8.2055 -8.2045 -8.2044 -2.6072 -2.5977 -2.5946 -2.5945 -1.8904 -1.8754 -1.8227 -1.8123 -1.5454 -1.5386 -1.4346 -1.4289 -0.1376 -0.1158 -0.0201 -0.0119 0.1067 0.2183 0.4338 0.4351 0.6068 0.6219 0.7441 0.8045 1.3556 1.4282 1.4372 1.5113 1.8336 1.8787 1.9696 2.0636 2.2150 2.2232 2.3203 2.3482 5.0730 5.0925 5.1583 5.2048 5.4198 5.4306 5.5579 5.5808 6.8111 6.8121 k =-0.4049 0.5144 0.1144 ( 10184 PWs) bands (ev): -12.6481 -12.6478 -12.6182 -12.6179 -12.0671 -12.0666 -12.0152 -12.0147 -10.4834 -10.4829 -10.4572 -10.4568 -8.2059 -8.2054 -8.2046 -8.2045 -2.6073 -2.5971 -2.5945 -2.5944 -1.8905 -1.8737 -1.8309 -1.8193 -1.5314 -1.5232 -1.4403 -1.4355 -0.1309 -0.1183 -0.0403 -0.0138 0.1017 0.2287 0.4077 0.4094 0.6367 0.6530 0.7618 0.8226 1.3362 1.4153 1.4218 1.4981 1.8433 1.8969 1.9595 2.0455 2.2302 2.2446 2.3142 2.3447 5.0709 5.0911 5.1431 5.1910 5.4390 5.4498 5.5546 5.5774 6.8129 6.8137 k =-0.4049 0.5144 0.1271 ( 10189 PWs) bands (ev): -12.6435 -12.6433 -12.6234 -12.6231 -12.0584 -12.0579 -12.0234 -12.0229 -10.4791 -10.4786 -10.4614 -10.4609 -8.2059 -8.2053 -8.2046 -8.2046 -2.6074 -2.5966 -2.5945 -2.5944 -1.8900 -1.8712 -1.8383 -1.8250 -1.5188 -1.5089 -1.4464 -1.4431 -0.1225 -0.1202 -0.0598 -0.0189 0.1048 0.2440 0.3801 0.3882 0.6635 0.6790 0.7723 0.8340 1.3221 1.4066 1.4088 1.4862 1.8529 1.9145 1.9491 2.0276 2.2466 2.2642 2.3053 2.3387 5.0709 5.0911 5.1303 5.1796 5.4551 5.4658 5.5504 5.5732 6.8148 6.8155 k =-0.4049 0.5144 0.1398 ( 10192 PWs) bands (ev): -12.6387 -12.6385 -12.6286 -12.6283 -12.0496 -12.0491 -12.0319 -12.0314 -10.4747 -10.4742 -10.4657 -10.4653 -8.2058 -8.2052 -8.2047 -8.2047 -2.6075 -2.5962 -2.5945 -2.5943 -1.8895 -1.8685 -1.8440 -1.8289 -1.5094 -1.4973 -1.4519 -1.4505 -0.1212 -0.1124 -0.0770 -0.0239 0.1101 0.2602 0.3565 0.3735 0.6828 0.6967 0.7765 0.8396 1.3138 1.4000 1.4020 1.4777 1.8604 1.9292 1.9410 2.0127 2.2627 2.2798 2.2943 2.3316 5.0720 5.0918 5.1214 5.1720 5.4663 5.4768 5.5464 5.5693 6.8170 6.8173 k =-0.4049 0.5144 0.1525 ( 10176 PWs) bands (ev): -12.6339 -12.6336 -12.6336 -12.6333 -12.0408 -12.0407 -12.0402 -12.0402 -10.4706 -10.4701 -10.4697 -10.4694 -8.2058 -8.2052 -8.2047 -8.2047 -2.6075 -2.5961 -2.5946 -2.5943 -1.8893 -1.8672 -1.8463 -1.8302 -1.5057 -1.4923 -1.4542 -1.4541 -0.1215 -0.1053 -0.0867 -0.0259 0.1125 0.2684 0.3459 0.3682 0.6900 0.7031 0.7773 0.8411 1.3111 1.3969 1.4007 1.4745 1.8633 1.9355 1.9378 2.0063 2.2736 2.2851 2.2865 2.3278 5.0727 5.0922 5.1181 5.1693 5.4704 5.4808 5.5448 5.5677 6.8183 6.8187 k =-0.4049 0.5144 0.1525 ( 10176 PWs) bands (ev): -12.6339 -12.6336 -12.6336 -12.6333 -12.0408 -12.0407 -12.0402 -12.0402 -10.4706 -10.4701 -10.4697 -10.4694 -8.2058 -8.2052 -8.2047 -8.2047 -2.6075 -2.5961 -2.5946 -2.5943 -1.8893 -1.8672 -1.8463 -1.8302 -1.5057 -1.4923 -1.4542 -1.4541 -0.1215 -0.1053 -0.0867 -0.0259 0.1125 0.2684 0.3459 0.3682 0.6900 0.7031 0.7773 0.8411 1.3111 1.3969 1.4007 1.4745 1.8633 1.9355 1.9378 2.0063 2.2736 2.2851 2.2865 2.3278 5.0727 5.0922 5.1181 5.1693 5.4704 5.4808 5.5448 5.5677 6.8183 6.8187 k =-0.4129 0.5043 0.1525 ( 10178 PWs) bands (ev): -12.6304 -12.6301 -12.6300 -12.6298 -12.0394 -12.0393 -12.0388 -12.0388 -10.4669 -10.4663 -10.4661 -10.4657 -8.2106 -8.2100 -8.2096 -8.2096 -2.6164 -2.6052 -2.6041 -2.6038 -1.8857 -1.8645 -1.8442 -1.8289 -1.5138 -1.4997 -1.4644 -1.4634 -0.1205 -0.1046 -0.0915 -0.0318 0.1313 0.2856 0.3538 0.3718 0.6842 0.7013 0.7723 0.8352 1.2862 1.3744 1.3780 1.4480 1.8412 1.9048 1.9082 1.9749 2.2724 2.2775 2.2855 2.3222 5.0674 5.0921 5.1131 5.1678 5.4719 5.4870 5.5458 5.5715 6.8311 6.8313 k =-0.4208 0.4943 0.1525 ( 10168 PWs) bands (ev): -12.6272 -12.6270 -12.6269 -12.6267 -12.0382 -12.0381 -12.0376 -12.0376 -10.4633 -10.4628 -10.4626 -10.4622 -8.2150 -8.2144 -8.2140 -8.2140 -2.6245 -2.6137 -2.6131 -2.6123 -1.8815 -1.8611 -1.8416 -1.8273 -1.5215 -1.5070 -1.4745 -1.4727 -0.1199 -0.1052 -0.0971 -0.0404 0.1547 0.3056 0.3650 0.3772 0.6782 0.6998 0.7660 0.8288 1.2625 1.3513 1.3559 1.4215 1.8192 1.8731 1.8819 1.9440 2.2714 2.2717 2.2854 2.3175 5.0639 5.0937 5.1094 5.1676 5.4714 5.4915 5.5444 5.5730 6.8427 6.8427 k =-0.4287 0.4842 0.1525 ( 10166 PWs) bands (ev): -12.6244 -12.6242 -12.6241 -12.6239 -12.0371 -12.0370 -12.0365 -12.0364 -10.4600 -10.4594 -10.4593 -10.4589 -8.2189 -8.2183 -8.2180 -8.2179 -2.6318 -2.6214 -2.6213 -2.6200 -1.8767 -1.8572 -1.8386 -1.8255 -1.5287 -1.5140 -1.4843 -1.4820 -0.1196 -0.1067 -0.1031 -0.0502 0.1808 0.3280 0.3792 0.3839 0.6723 0.6988 0.7585 0.8220 1.2402 1.3280 1.3345 1.3953 1.7977 1.8433 1.8570 1.9141 2.2673 2.2703 2.2857 2.3135 5.0622 5.0970 5.1069 5.1687 5.4693 5.4944 5.5406 5.5721 6.8529 6.8530 k =-0.4366 0.4741 0.1525 ( 10182 PWs) bands (ev): -12.6220 -12.6218 -12.6216 -12.6214 -12.0361 -12.0361 -12.0355 -12.0355 -10.4569 -10.4563 -10.4563 -10.4559 -8.2223 -8.2217 -8.2215 -8.2214 -2.6383 -2.6290 -2.6282 -2.6270 -1.8714 -1.8530 -1.8356 -1.8237 -1.5350 -1.5206 -1.4938 -1.4911 -0.1196 -0.1093 -0.1091 -0.0603 0.2082 0.3518 0.3913 0.3957 0.6665 0.6986 0.7498 0.8147 1.2195 1.3045 1.3140 1.3697 1.7773 1.8155 1.8340 1.8858 2.2639 2.2692 2.2861 2.3099 5.0622 5.1022 5.1054 5.1709 5.4659 5.4961 5.5347 5.5692 6.8620 6.8621 k =-0.4445 0.4641 0.1525 ( 10172 PWs) bands (ev): -12.6198 -12.6196 -12.6195 -12.6193 -12.0353 -12.0352 -12.0346 -12.0346 -10.4541 -10.4536 -10.4535 -10.4531 -8.2253 -8.2248 -8.2246 -8.2245 -2.6440 -2.6357 -2.6343 -2.6332 -1.8658 -1.8485 -1.8325 -1.8221 -1.5406 -1.5267 -1.5028 -1.5001 -0.1198 -0.1149 -0.1125 -0.0700 0.2360 0.3764 0.3986 0.4139 0.6610 0.6996 0.7400 0.8073 1.2009 1.2812 1.2949 1.3449 1.7585 1.7902 1.8134 1.8595 2.2614 2.2679 2.2866 2.3067 5.0638 5.1048 5.1090 5.1739 5.4615 5.4970 5.5268 5.5644 6.8699 6.8700 k =-0.4525 0.4540 0.1525 ( 10182 PWs) bands (ev): -12.6180 -12.6178 -12.6176 -12.6175 -12.0345 -12.0345 -12.0338 -12.0338 -10.4516 -10.4511 -10.4510 -10.4507 -8.2279 -8.2274 -8.2273 -8.2271 -2.6488 -2.6417 -2.6396 -2.6386 -1.8599 -1.8440 -1.8296 -1.8209 -1.5451 -1.5321 -1.5112 -1.5087 -0.1201 -0.1200 -0.1161 -0.0792 0.2634 0.4009 0.4049 0.4330 0.6559 0.7019 0.7292 0.7995 1.1846 1.2583 1.2774 1.3215 1.7417 1.7676 1.7953 1.8356 2.2596 2.2665 2.2871 2.3037 5.0668 5.1047 5.1172 5.1774 5.4567 5.4974 5.5174 5.5582 6.8767 6.8768 k =-0.4604 0.4439 0.1525 ( 10186 PWs) bands (ev): -12.6164 -12.6163 -12.6161 -12.6159 -12.0339 -12.0339 -12.0332 -12.0332 -10.4494 -10.4490 -10.4488 -10.4485 -8.2301 -8.2296 -8.2296 -8.2294 -2.6529 -2.6469 -2.6440 -2.6432 -1.8540 -1.8396 -1.8271 -1.8202 -1.5485 -1.5366 -1.5189 -1.5168 -0.1246 -0.1203 -0.1199 -0.0875 0.2898 0.4096 0.4247 0.4522 0.6514 0.7059 0.7177 0.7915 1.1711 1.2363 1.2620 1.2997 1.7272 1.7479 1.7803 1.8143 2.2583 2.2650 2.2876 2.3010 5.0709 5.1047 5.1266 5.1807 5.4521 5.4979 5.5068 5.5509 6.8824 6.8825 k =-0.4683 0.4339 0.1525 ( 10184 PWs) bands (ev): -12.6152 -12.6151 -12.6148 -12.6147 -12.0334 -12.0333 -12.0327 -12.0327 -10.4476 -10.4473 -10.4470 -10.4468 -8.2318 -8.2314 -8.2313 -8.2312 -2.6560 -2.6512 -2.6477 -2.6470 -1.8482 -1.8355 -1.8250 -1.8203 -1.5507 -1.5402 -1.5257 -1.5244 -0.1283 -0.1235 -0.1202 -0.0949 0.3147 0.4120 0.4469 0.4702 0.6480 0.7054 0.7116 0.7832 1.1608 1.2157 1.2492 1.2801 1.7153 1.7313 1.7683 1.7958 2.2575 2.2634 2.2881 2.2985 5.0758 5.1046 5.1368 5.1832 5.4485 5.4956 5.4987 5.5429 6.8870 6.8871 k =-0.4762 0.4238 0.1525 ( 10192 PWs) bands (ev): -12.6142 -12.6141 -12.6138 -12.6138 -12.0330 -12.0329 -12.0323 -12.0322 -10.4462 -10.4459 -10.4456 -10.4454 -8.2332 -8.2329 -8.2327 -8.2326 -2.6584 -2.6547 -2.6505 -2.6500 -1.8426 -1.8317 -1.8236 -1.8211 -1.5516 -1.5427 -1.5316 -1.5313 -0.1310 -0.1269 -0.1198 -0.1013 0.3375 0.4114 0.4667 0.4856 0.6463 0.6928 0.7188 0.7745 1.1542 1.1970 1.2396 1.2632 1.7061 1.7179 1.7597 1.7805 2.2571 2.2619 2.2887 2.2963 5.0812 5.1038 5.1472 5.1842 5.4466 5.4842 5.5004 5.5347 6.8906 6.8906 k =-0.4842 0.4137 0.1525 ( 10204 PWs) bands (ev): -12.6135 -12.6135 -12.6132 -12.6131 -12.0327 -12.0327 -12.0320 -12.0320 -10.4451 -10.4450 -10.4445 -10.4444 -8.2341 -8.2339 -8.2337 -8.2336 -2.6599 -2.6574 -2.6525 -2.6521 -1.8374 -1.8285 -1.8230 -1.8227 -1.5512 -1.5439 -1.5374 -1.5365 -0.1327 -0.1297 -0.1188 -0.1067 0.3578 0.4075 0.4831 0.4969 0.6470 0.6802 0.7272 0.7654 1.1514 1.1809 1.2335 1.2495 1.7000 1.7077 1.7544 1.7684 2.2571 2.2605 2.2894 2.2944 5.0866 5.1023 5.1573 5.1832 5.4470 5.4733 5.5031 5.5266 6.8932 6.8932 k =-0.4921 0.4037 0.1525 ( 10210 PWs) bands (ev): -12.6131 -12.6131 -12.6127 -12.6127 -12.0325 -12.0325 -12.0318 -12.0318 -10.4445 -10.4444 -10.4439 -10.4438 -8.2346 -8.2345 -8.2342 -8.2342 -2.6605 -2.6593 -2.6537 -2.6535 -1.8327 -1.8259 -1.8253 -1.8231 -1.5495 -1.5440 -1.5425 -1.5402 -0.1333 -0.1318 -0.1171 -0.1111 0.3751 0.4002 0.4952 0.5027 0.6509 0.6683 0.7365 0.7559 1.1528 1.1678 1.2314 1.2395 1.6970 1.7008 1.7527 1.7597 2.2575 2.2592 2.2903 2.2928 5.0917 5.0997 5.1666 5.1799 5.4500 5.4636 5.5072 5.5191 6.8947 6.8948 k =-0.5000 0.3936 0.1525 ( 10208 PWs) bands (ev): -12.6130 -12.6130 -12.6126 -12.6126 -12.0325 -12.0325 -12.0317 -12.0317 -10.4442 -10.4442 -10.4436 -10.4436 -8.2348 -8.2348 -8.2344 -8.2344 -2.6604 -2.6604 -2.6540 -2.6540 -1.8286 -1.8286 -1.8241 -1.8241 -1.5466 -1.5466 -1.5427 -1.5427 -0.1330 -0.1330 -0.1145 -0.1145 0.3893 0.3893 0.5021 0.5021 0.6582 0.6582 0.7462 0.7462 1.1583 1.1583 1.2333 1.2333 1.6973 1.6973 1.7544 1.7544 2.2582 2.2582 2.2914 2.2914 5.0962 5.0962 5.1743 5.1743 5.4556 5.4556 5.5125 5.5125 6.8953 6.8953 k =-0.5000 0.3936 0.1525 ( 10208 PWs) bands (ev): -12.6130 -12.6130 -12.6126 -12.6126 -12.0325 -12.0325 -12.0317 -12.0317 -10.4442 -10.4442 -10.4436 -10.4436 -8.2348 -8.2348 -8.2344 -8.2344 -2.6604 -2.6604 -2.6540 -2.6540 -1.8286 -1.8286 -1.8241 -1.8241 -1.5466 -1.5466 -1.5427 -1.5427 -0.1330 -0.1330 -0.1145 -0.1145 0.3893 0.3893 0.5021 0.5021 0.6582 0.6582 0.7462 0.7462 1.1583 1.1583 1.2333 1.2333 1.6973 1.6973 1.7544 1.7544 2.2582 2.2582 2.2914 2.2914 5.0962 5.0962 5.1743 5.1743 5.4556 5.4556 5.5125 5.5125 6.8953 6.8953 k =-0.5000 0.3936 0.1398 ( 10194 PWs) bands (ev): -12.6195 -12.6191 -12.6062 -12.6058 -12.0439 -12.0432 -12.0211 -12.0204 -10.4500 -10.4494 -10.4385 -10.4379 -8.2351 -8.2347 -8.2345 -8.2341 -2.6629 -2.6576 -2.6567 -2.6511 -1.8400 -1.8348 -1.8171 -1.8133 -1.5666 -1.5641 -1.5264 -1.5212 -0.1565 -0.1344 -0.1068 -0.0923 0.3573 0.4210 0.4728 0.5294 0.6334 0.6780 0.7226 0.7639 1.1577 1.1635 1.2290 1.2404 1.6830 1.7163 1.7359 1.7763 2.2426 2.2704 2.2762 2.3026 5.0674 5.1252 5.1459 5.2012 5.4187 5.4744 5.4939 5.5506 6.8907 6.8909 k =-0.5000 0.3936 0.1271 ( 10186 PWs) bands (ev): -12.6257 -12.6254 -12.5993 -12.5989 -12.0554 -12.0547 -12.0102 -12.0095 -10.4558 -10.4552 -10.4328 -10.4323 -8.2354 -8.2351 -8.2342 -8.2338 -2.6652 -2.6593 -2.6547 -2.6483 -1.8510 -1.8452 -1.8058 -1.8025 -1.5861 -1.5851 -1.5063 -1.5001 -0.1769 -0.1516 -0.0781 -0.0680 0.3263 0.4436 0.4502 0.5473 0.6124 0.6896 0.6964 0.7730 1.1607 1.1738 1.2278 1.2498 1.6738 1.7210 1.7394 1.8010 2.2238 2.2572 2.2789 2.3096 5.0396 5.1168 5.1539 5.2254 5.3845 5.4369 5.5324 5.5879 6.8866 6.8869 k =-0.5000 0.3936 0.1144 ( 10182 PWs) bands (ev): -12.6316 -12.6312 -12.5924 -12.5920 -12.0667 -12.0660 -11.9997 -11.9991 -10.4613 -10.4608 -10.4274 -10.4269 -8.2357 -8.2354 -8.2338 -8.2335 -2.6672 -2.6617 -2.6518 -2.6454 -1.8613 -1.8550 -1.7950 -1.7922 -1.6051 -1.6046 -1.4867 -1.4797 -0.1942 -0.1661 -0.0475 -0.0425 0.2979 0.4158 0.4741 0.5373 0.6148 0.6719 0.6920 0.7719 1.1661 1.1899 1.2291 1.2620 1.6698 1.7100 1.7657 1.8280 2.2023 2.2347 2.2836 2.3124 5.0133 5.0877 5.1813 5.2445 5.3557 5.4012 5.5704 5.6235 6.8830 6.8835 k =-0.5000 0.3936 0.1017 ( 10180 PWs) bands (ev): -12.6369 -12.6366 -12.5856 -12.5852 -12.0776 -12.0770 -11.9899 -11.9893 -10.4667 -10.4662 -10.4224 -10.4219 -8.2360 -8.2357 -8.2335 -8.2332 -2.6690 -2.6639 -2.6487 -2.6426 -1.8709 -1.8642 -1.7851 -1.7826 -1.6237 -1.6217 -1.4679 -1.4603 -0.2082 -0.1779 -0.0165 -0.0156 0.2737 0.3903 0.4878 0.5071 0.6331 0.6547 0.6862 0.7604 1.1724 1.2116 1.2314 1.2776 1.6712 1.7033 1.7939 1.8565 2.1788 2.2092 2.2845 2.3111 4.9890 5.0593 5.2061 5.2528 5.3379 5.3687 5.6072 5.6570 6.8800 6.8806 k =-0.5000 0.3936 0.0890 ( 10182 PWs) bands (ev): -12.6418 -12.6415 -12.5790 -12.5786 -12.0880 -12.0873 -11.9809 -11.9803 -10.4716 -10.4712 -10.4177 -10.4172 -8.2362 -8.2359 -8.2333 -8.2330 -2.6705 -2.6659 -2.6457 -2.6400 -1.8794 -1.8725 -1.7765 -1.7740 -1.6405 -1.6372 -1.4503 -1.4425 -0.2190 -0.1873 0.0084 0.0165 0.2556 0.3677 0.4732 0.4869 0.6452 0.6500 0.6803 0.7399 1.1790 1.2331 1.2375 1.2966 1.6779 1.7009 1.8224 1.8853 2.1546 2.1814 2.2816 2.3058 4.9672 5.0319 5.2257 5.2455 5.3364 5.3421 5.6419 5.6876 6.8775 6.8781 k =-0.5000 0.3936 0.0763 ( 10178 PWs) bands (ev): -12.6461 -12.6458 -12.5729 -12.5725 -12.0975 -12.0969 -11.9728 -11.9723 -10.4762 -10.4757 -10.4135 -10.4131 -8.2365 -8.2362 -8.2330 -8.2327 -2.6717 -2.6677 -2.6428 -2.6375 -1.8868 -1.8800 -1.7694 -1.7669 -1.6549 -1.6504 -1.4341 -1.4264 -0.2267 -0.1948 0.0305 0.0475 0.2459 0.3486 0.4414 0.4725 0.6324 0.6563 0.6906 0.7132 1.1854 1.2335 1.2657 1.3174 1.6900 1.7031 1.8489 1.9131 2.1314 2.1526 2.2750 2.2966 4.9483 5.0063 5.2287 5.2350 5.3267 5.3452 5.6741 5.7148 6.8756 6.8761 k =-0.5000 0.3936 0.0635 ( 10170 PWs) bands (ev): -12.6498 -12.6496 -12.5673 -12.5670 -12.1060 -12.1055 -11.9657 -11.9653 -10.4801 -10.4798 -10.4098 -10.4094 -8.2367 -8.2364 -8.2328 -8.2326 -2.6726 -2.6693 -2.6400 -2.6354 -1.8929 -1.8866 -1.7643 -1.7618 -1.6663 -1.6612 -1.4196 -1.4124 -0.2315 -0.2007 0.0482 0.0753 0.2463 0.3330 0.4155 0.4511 0.6054 0.6581 0.6920 0.7070 1.1915 1.2326 1.2941 1.3379 1.7075 1.7103 1.8700 1.9369 2.1120 2.1254 2.2651 2.2839 4.9325 4.9827 5.2104 5.2298 5.3266 5.3562 5.7030 5.7381 6.8740 6.8746 k =-0.5000 0.3936 0.0508 ( 10176 PWs) bands (ev): -12.6528 -12.6527 -12.5624 -12.5621 -12.1133 -12.1129 -11.9598 -11.9594 -10.4835 -10.4832 -10.4067 -10.4064 -8.2368 -8.2366 -8.2326 -8.2324 -2.6733 -2.6706 -2.6376 -2.6337 -1.8977 -1.8921 -1.7611 -1.7587 -1.6745 -1.6693 -1.4070 -1.4008 -0.2337 -0.2058 0.0613 0.0973 0.2567 0.3206 0.3999 0.4289 0.5728 0.6300 0.6986 0.7215 1.1971 1.2306 1.3206 1.3561 1.7224 1.7304 1.8815 1.9515 2.1006 2.1048 2.2523 2.2682 4.9203 4.9617 5.1943 5.2157 5.3365 5.3661 5.7282 5.7570 6.8729 6.8734 k =-0.5000 0.3936 0.0381 ( 10164 PWs) bands (ev): -12.6552 -12.6551 -12.5584 -12.5582 -12.1192 -12.1189 -11.9551 -11.9548 -10.4862 -10.4859 -10.4042 -10.4040 -8.2369 -8.2368 -8.2324 -8.2323 -2.6738 -2.6717 -2.6354 -2.6324 -1.9012 -1.8967 -1.7596 -1.7575 -1.6796 -1.6750 -1.3968 -1.3918 -0.2337 -0.2105 0.0715 0.1106 0.2738 0.3107 0.3985 0.4105 0.5373 0.5911 0.7126 0.7325 1.2024 1.2278 1.3436 1.3703 1.7395 1.7579 1.8801 1.9496 2.0979 2.1001 2.2372 2.2501 4.9119 4.9436 5.1818 5.2001 5.3489 5.3733 5.7492 5.7713 6.8721 6.8725 k =-0.5000 0.3936 0.0254 ( 10166 PWs) bands (ev): -12.6569 -12.6569 -12.5554 -12.5553 -12.1235 -12.1233 -11.9516 -11.9515 -10.4881 -10.4880 -10.4024 -10.4023 -8.2370 -8.2369 -8.2323 -8.2322 -2.6740 -2.6726 -2.6337 -2.6316 -1.9034 -1.9002 -1.7592 -1.7577 -1.6821 -1.6787 -1.3890 -1.3855 -0.2318 -0.2151 0.0809 0.1143 0.2911 0.3045 0.4015 0.4115 0.5009 0.5502 0.7253 0.7396 1.2073 1.2244 1.3619 1.3797 1.7609 1.7889 1.8668 1.9301 2.1052 2.1090 2.2213 2.2309 4.9073 4.9288 5.1736 5.1866 5.3604 5.3775 5.7656 5.7805 6.8716 6.8718 k =-0.5000 0.3936 0.0127 ( 10158 PWs) bands (ev): -12.6580 -12.6579 -12.5536 -12.5535 -12.1261 -12.1260 -11.9495 -11.9495 -10.4893 -10.4892 -10.4013 -10.4012 -8.2371 -8.2370 -8.2322 -8.2322 -2.6740 -2.6733 -2.6324 -2.6313 -1.9044 -1.9027 -1.7592 -1.7584 -1.6827 -1.6810 -1.3838 -1.3820 -0.2286 -0.2198 0.0908 0.1100 0.3012 0.3024 0.4083 0.4348 0.4669 0.5099 0.7349 0.7423 1.2120 1.2206 1.3749 1.3838 1.7855 1.8175 1.8504 1.9001 2.1181 2.1210 2.2078 2.2134 4.9068 4.9177 5.1699 5.1767 5.3695 5.3782 5.7771 5.7846 6.8713 6.8714 k =-0.5000 0.3936 0.0000 ( 10174 PWs) bands (ev): -12.6583 -12.6583 -12.5529 -12.5529 -12.1270 -12.1270 -11.9488 -11.9488 -10.4896 -10.4896 -10.4009 -10.4009 -8.2370 -8.2370 -8.2322 -8.2322 -2.6738 -2.6738 -2.6316 -2.6316 -1.9041 -1.9041 -1.7590 -1.7590 -1.6823 -1.6823 -1.3815 -1.3815 -0.2244 -0.2244 0.1012 0.1012 0.3029 0.3029 0.4300 0.4300 0.4730 0.4730 0.7407 0.7407 1.2164 1.2164 1.3822 1.3822 1.8104 1.8104 1.8671 1.8671 2.1258 2.1258 2.2037 2.2037 4.9103 4.9103 5.1710 5.1710 5.3755 5.3755 5.7835 5.7835 6.8713 6.8713 k = 0.0000 0.0000 0.1525 ( 10152 PWs) bands (ev): -13.0288 -13.0288 -13.0285 -13.0285 -12.1893 -12.1893 -12.1886 -12.1886 -10.4856 -10.4856 -10.4848 -10.4848 -7.6295 -7.6295 -7.6288 -7.6288 -1.9556 -1.9556 -1.9311 -1.9311 -1.2153 -1.2153 -1.1748 -1.1748 -0.5063 -0.5063 -0.5007 -0.5007 0.2891 0.2891 0.2916 0.2916 0.6112 0.6112 0.6605 0.6605 0.9223 0.9223 1.0134 1.0134 1.2603 1.2603 1.2924 1.2924 1.8695 1.8695 1.8752 1.8752 2.5430 2.5430 2.5735 2.5735 4.3628 4.3628 4.4191 4.4191 4.6304 4.6304 4.7012 4.7012 5.5784 5.5784 k =-0.0106 0.0084 0.1525 ( 10150 PWs) bands (ev): -13.0284 -13.0284 -13.0281 -13.0281 -12.1891 -12.1891 -12.1884 -12.1884 -10.4855 -10.4855 -10.4848 -10.4848 -7.6302 -7.6302 -7.6294 -7.6294 -1.9564 -1.9564 -1.9318 -1.9318 -1.2166 -1.2166 -1.1759 -1.1759 -0.5100 -0.5100 -0.5023 -0.5023 0.2862 0.2862 0.2954 0.2955 0.6119 0.6119 0.6614 0.6614 0.9230 0.9230 1.0143 1.0143 1.2579 1.2579 1.2922 1.2922 1.8694 1.8695 1.8765 1.8766 2.5421 2.5422 2.5728 2.5728 4.3633 4.3634 4.4199 4.4199 4.6311 4.6311 4.7023 4.7023 5.5801 5.5801 k =-0.0213 0.0167 0.1525 ( 10162 PWs) bands (ev): -13.0271 -13.0271 -13.0269 -13.0268 -12.1885 -12.1885 -12.1879 -12.1878 -10.4854 -10.4854 -10.4847 -10.4847 -7.6321 -7.6321 -7.6313 -7.6313 -1.9587 -1.9587 -1.9341 -1.9341 -1.2202 -1.2202 -1.1791 -1.1791 -0.5200 -0.5200 -0.5083 -0.5082 0.2833 0.2833 0.3012 0.3012 0.6138 0.6139 0.6640 0.6640 0.9249 0.9249 1.0170 1.0170 1.2512 1.2513 1.2914 1.2914 1.8697 1.8697 1.8799 1.8799 2.5396 2.5396 2.5705 2.5705 4.3649 4.3649 4.4225 4.4225 4.6330 4.6330 4.7054 4.7054 5.5853 5.5853 k =-0.0319 0.0251 0.1525 ( 10154 PWs) bands (ev): -13.0251 -13.0251 -13.0248 -13.0248 -12.1876 -12.1876 -12.1870 -12.1869 -10.4853 -10.4853 -10.4845 -10.4845 -7.6354 -7.6354 -7.6344 -7.6344 -1.9625 -1.9625 -1.9380 -1.9380 -1.2261 -1.2261 -1.1843 -1.1843 -0.5353 -0.5353 -0.5191 -0.5190 0.2813 0.2813 0.3079 0.3079 0.6167 0.6167 0.6681 0.6681 0.9281 0.9281 1.0215 1.0215 1.2410 1.2410 1.2897 1.2897 1.8709 1.8709 1.8845 1.8846 2.5355 2.5355 2.5667 2.5667 4.3676 4.3676 4.4269 4.4269 4.6363 4.6363 4.7104 4.7104 5.5942 5.5942 k =-0.0426 0.0335 0.1525 ( 10154 PWs) bands (ev): -13.0222 -13.0222 -13.0219 -13.0219 -12.1864 -12.1864 -12.1857 -12.1857 -10.4851 -10.4851 -10.4843 -10.4843 -7.6399 -7.6399 -7.6388 -7.6388 -1.9679 -1.9679 -1.9433 -1.9433 -1.2342 -1.2342 -1.1916 -1.1916 -0.5552 -0.5552 -0.5346 -0.5346 0.2801 0.2801 0.3153 0.3153 0.6201 0.6202 0.6732 0.6732 0.9326 0.9326 1.0278 1.0278 1.2278 1.2278 1.2868 1.2869 1.8730 1.8731 1.8900 1.8900 2.5298 2.5298 2.5615 2.5615 4.3715 4.3715 4.4331 4.4331 4.6409 4.6409 4.7173 4.7173 5.6068 5.6069 k =-0.0532 0.0419 0.1525 ( 10140 PWs) bands (ev): -13.0185 -13.0185 -13.0182 -13.0182 -12.1848 -12.1848 -12.1841 -12.1841 -10.4848 -10.4848 -10.4840 -10.4840 -7.6457 -7.6457 -7.6444 -7.6444 -1.9747 -1.9747 -1.9501 -1.9501 -1.2445 -1.2445 -1.2009 -1.2009 -0.5794 -0.5793 -0.5545 -0.5545 0.2796 0.2796 0.3232 0.3233 0.6236 0.6237 0.6789 0.6789 0.9381 0.9381 1.0357 1.0357 1.2121 1.2122 1.2833 1.2833 1.8760 1.8761 1.8959 1.8960 2.5225 2.5225 2.5550 2.5550 4.3767 4.3767 4.4411 4.4412 4.6469 4.6469 4.7260 4.7260 5.6233 5.6233 k =-0.0638 0.0502 0.1525 ( 10138 PWs) bands (ev): -13.0140 -13.0140 -13.0137 -13.0137 -12.1829 -12.1828 -12.1822 -12.1821 -10.4845 -10.4845 -10.4837 -10.4837 -7.6527 -7.6527 -7.6513 -7.6513 -1.9829 -1.9829 -1.9584 -1.9584 -1.2566 -1.2566 -1.2120 -1.2119 -0.6071 -0.6071 -0.5784 -0.5784 0.2798 0.2798 0.3316 0.3316 0.6268 0.6269 0.6845 0.6845 0.9444 0.9444 1.0453 1.0453 1.1945 1.1946 1.2795 1.2795 1.8795 1.8796 1.9021 1.9022 2.5138 2.5138 2.5473 2.5473 4.3834 4.3834 4.4511 4.4512 4.6541 4.6541 4.7362 4.7363 5.6436 5.6436 k =-0.0745 0.0586 0.1525 ( 10142 PWs) bands (ev): -13.0088 -13.0088 -13.0084 -13.0084 -12.1806 -12.1806 -12.1799 -12.1799 -10.4841 -10.4841 -10.4833 -10.4833 -7.6609 -7.6609 -7.6593 -7.6593 -1.9925 -1.9925 -1.9681 -1.9681 -1.2705 -1.2705 -1.2247 -1.2247 -0.6380 -0.6380 -0.6057 -0.6057 0.2804 0.2805 0.3401 0.3402 0.6293 0.6294 0.6895 0.6895 0.9506 0.9506 1.0562 1.0562 1.1755 1.1756 1.2764 1.2764 1.8833 1.8834 1.9082 1.9083 2.5038 2.5038 2.5385 2.5385 4.3918 4.3918 4.4632 4.4632 4.6626 4.6626 4.7481 4.7481 5.6675 5.6675 k =-0.0851 0.0670 0.1525 ( 10142 PWs) bands (ev): -13.0028 -13.0027 -13.0024 -13.0024 -12.1780 -12.1780 -12.1773 -12.1773 -10.4836 -10.4836 -10.4828 -10.4828 -7.6702 -7.6702 -7.6685 -7.6685 -2.0035 -2.0035 -1.9791 -1.9791 -1.2859 -1.2859 -1.2391 -1.2391 -0.6715 -0.6714 -0.6360 -0.6360 0.2814 0.2814 0.3487 0.3487 0.6309 0.6309 0.6934 0.6934 0.9557 0.9557 1.0678 1.0679 1.1564 1.1565 1.2749 1.2749 1.8871 1.8871 1.9140 1.9140 2.4926 2.4926 2.5286 2.5286 4.4019 4.4019 4.4773 4.4773 4.6723 4.6723 4.7613 4.7613 5.6949 5.6949 k =-0.0957 0.0754 0.1525 ( 10140 PWs) bands (ev): -12.9960 -12.9960 -12.9956 -12.9956 -12.1751 -12.1751 -12.1744 -12.1744 -10.4831 -10.4831 -10.4823 -10.4823 -7.6807 -7.6807 -7.6788 -7.6788 -2.0158 -2.0158 -1.9915 -1.9915 -1.3027 -1.3027 -1.2549 -1.2548 -0.7070 -0.7070 -0.6688 -0.6687 0.2826 0.2826 0.3570 0.3571 0.6314 0.6314 0.6958 0.6958 0.9584 0.9584 1.0773 1.0774 1.1403 1.1404 1.2759 1.2759 1.8905 1.8906 1.9191 1.9192 2.4802 2.4802 2.5180 2.5180 4.4138 4.4139 4.4936 4.4936 4.6832 4.6832 4.7759 4.7759 5.7255 5.7255 k =-0.1064 0.0837 0.1525 ( 10136 PWs) bands (ev): -12.9885 -12.9885 -12.9881 -12.9881 -12.1719 -12.1719 -12.1712 -12.1712 -10.4825 -10.4825 -10.4817 -10.4817 -7.6922 -7.6922 -7.6902 -7.6902 -2.0294 -2.0294 -2.0052 -2.0052 -1.3207 -1.3207 -1.2719 -1.2719 -0.7443 -0.7442 -0.7035 -0.7035 0.2839 0.2839 0.3650 0.3650 0.6307 0.6307 0.6966 0.6966 0.9573 0.9573 1.0763 1.0763 1.1363 1.1364 1.2802 1.2803 1.8933 1.8934 1.9234 1.9235 2.4669 2.4669 2.5065 2.5065 4.4278 4.4278 4.5120 4.5120 4.6952 4.6952 4.7918 4.7918 5.7591 5.7591 k =-0.1170 0.0921 0.1525 ( 10130 PWs) bands (ev): -12.9803 -12.9803 -12.9799 -12.9799 -12.1684 -12.1684 -12.1677 -12.1677 -10.4819 -10.4819 -10.4811 -10.4811 -7.7048 -7.7048 -7.7026 -7.7026 -2.0441 -2.0441 -2.0201 -2.0201 -1.3397 -1.3397 -1.2900 -1.2900 -0.7827 -0.7827 -0.7398 -0.7397 0.2851 0.2851 0.3724 0.3724 0.6287 0.6287 0.6958 0.6958 0.9518 0.9518 1.0603 1.0603 1.1488 1.1488 1.2883 1.2883 1.8952 1.8953 1.9267 1.9268 2.4527 2.4527 2.4945 2.4945 4.4437 4.4437 4.5327 4.5327 4.7085 4.7085 4.8090 4.8090 5.7953 5.7953 k =-0.1277 0.1005 0.1525 ( 10138 PWs) bands (ev): -12.9715 -12.9714 -12.9711 -12.9710 -12.1647 -12.1647 -12.1639 -12.1639 -10.4812 -10.4812 -10.4804 -10.4804 -7.7183 -7.7183 -7.7160 -7.7160 -2.0599 -2.0599 -2.0362 -2.0361 -1.3595 -1.3594 -1.3090 -1.3090 -0.8220 -0.8220 -0.7772 -0.7772 0.2861 0.2861 0.3791 0.3792 0.6254 0.6254 0.6933 0.6933 0.9416 0.9416 1.0372 1.0373 1.1700 1.1700 1.2998 1.2999 1.8961 1.8961 1.9289 1.9290 2.4378 2.4378 2.4818 2.4818 4.4616 4.4617 4.5555 4.5555 4.7228 4.7228 4.8272 4.8272 5.8339 5.8339 k =-0.1383 0.1089 0.1525 ( 10148 PWs) bands (ev): -12.9620 -12.9619 -12.9615 -12.9615 -12.1607 -12.1607 -12.1600 -12.1599 -10.4805 -10.4805 -10.4796 -10.4796 -7.7328 -7.7328 -7.7304 -7.7304 -2.0769 -2.0769 -2.0533 -2.0533 -1.3799 -1.3799 -1.3288 -1.3288 -0.8618 -0.8618 -0.8155 -0.8154 0.2868 0.2868 0.3851 0.3852 0.6207 0.6207 0.6894 0.6895 0.9270 0.9270 1.0114 1.0114 1.1952 1.1952 1.3145 1.3145 1.8957 1.8957 1.9299 1.9299 2.4224 2.4224 2.4687 2.4688 4.4816 4.4816 4.5804 4.5804 4.7382 4.7382 4.8466 4.8467 5.8746 5.8746 k =-0.1489 0.1172 0.1525 ( 10134 PWs) bands (ev): -12.9519 -12.9518 -12.9514 -12.9514 -12.1565 -12.1564 -12.1557 -12.1557 -10.4796 -10.4796 -10.4788 -10.4788 -7.7481 -7.7481 -7.7456 -7.7456 -2.0948 -2.0948 -2.0715 -2.0715 -1.4007 -1.4007 -1.3492 -1.3492 -0.9018 -0.9018 -0.8542 -0.8541 0.2871 0.2871 0.3903 0.3904 0.6145 0.6145 0.6843 0.6843 0.9088 0.9088 0.9844 0.9844 1.2225 1.2225 1.3316 1.3316 1.8940 1.8941 1.9296 1.9297 2.4064 2.4065 2.4552 2.4552 4.5035 4.5035 4.6073 4.6073 4.7547 4.7548 4.8671 4.8671 5.9169 5.9169 k =-0.1596 0.1256 0.1525 ( 10118 PWs) bands (ev): -12.9412 -12.9411 -12.9407 -12.9407 -12.1520 -12.1520 -12.1513 -12.1513 -10.4788 -10.4788 -10.4779 -10.4779 -7.7643 -7.7643 -7.7617 -7.7617 -2.1136 -2.1136 -2.0907 -2.0907 -1.4220 -1.4220 -1.3701 -1.3701 -0.9417 -0.9417 -0.8931 -0.8930 0.2870 0.2870 0.3946 0.3946 0.6069 0.6069 0.6781 0.6781 0.8876 0.8877 0.9567 0.9568 1.2510 1.2510 1.3503 1.3504 1.8911 1.8911 1.9282 1.9282 2.3902 2.3902 2.4413 2.4413 4.5272 4.5272 4.6361 4.6361 4.7723 4.7723 4.8886 4.8886 5.9605 5.9605 k =-0.1702 0.1340 0.1525 ( 10134 PWs) bands (ev): -12.9300 -12.9299 -12.9295 -12.9295 -12.1474 -12.1474 -12.1467 -12.1467 -10.4779 -10.4779 -10.4770 -10.4770 -7.7811 -7.7811 -7.7785 -7.7784 -2.1332 -2.1332 -2.1107 -2.1107 -1.4434 -1.4434 -1.3913 -1.3913 -0.9812 -0.9812 -0.9319 -0.9319 0.2862 0.2862 0.3979 0.3980 0.5976 0.5976 0.6710 0.6710 0.8643 0.8643 0.9290 0.9291 1.2797 1.2797 1.3700 1.3700 1.8870 1.8870 1.9258 1.9258 2.3737 2.3737 2.4270 2.4270 4.5526 4.5526 4.6666 4.6667 4.7909 4.7909 4.9110 4.9110 6.0052 6.0052 k =-0.1809 0.1424 0.1525 ( 10140 PWs) bands (ev): -12.9183 -12.9182 -12.9178 -12.9178 -12.1426 -12.1426 -12.1419 -12.1419 -10.4769 -10.4769 -10.4760 -10.4760 -7.7987 -7.7987 -7.7959 -7.7959 -2.1537 -2.1537 -2.1316 -2.1316 -1.4648 -1.4648 -1.4127 -1.4127 -1.0202 -1.0202 -0.9704 -0.9703 0.2848 0.2848 0.4003 0.4003 0.5866 0.5866 0.6632 0.6633 0.8394 0.8394 0.9016 0.9016 1.3080 1.3081 1.3898 1.3899 1.8819 1.8819 1.9226 1.9226 2.3570 2.3570 2.4123 2.4123 4.5795 4.5795 4.6987 4.6987 4.8105 4.8105 4.9342 4.9343 6.0505 6.0505 k =-0.1915 0.1507 0.1525 ( 10136 PWs) bands (ev): -12.9061 -12.9061 -12.9056 -12.9056 -12.1377 -12.1377 -12.1369 -12.1369 -10.4758 -10.4758 -10.4750 -10.4750 -7.8168 -7.8168 -7.8140 -7.8140 -2.1748 -2.1748 -2.1532 -2.1532 -1.4862 -1.4862 -1.4342 -1.4342 -1.0584 -1.0584 -1.0083 -1.0083 0.2825 0.2825 0.4016 0.4017 0.5738 0.5738 0.6549 0.6550 0.8137 0.8137 0.8747 0.8748 1.3352 1.3353 1.4092 1.4092 1.8760 1.8760 1.9191 1.9191 2.3401 2.3402 2.3971 2.3972 4.6076 4.6076 4.7319 4.7319 4.8309 4.8310 4.9583 4.9583 6.0962 6.0962 k =-0.2021 0.1591 0.1525 ( 10148 PWs) bands (ev): -12.8936 -12.8936 -12.8931 -12.8930 -12.1326 -12.1326 -12.1319 -12.1319 -10.4748 -10.4748 -10.4739 -10.4739 -7.8355 -7.8354 -7.8326 -7.8326 -2.1965 -2.1965 -2.1754 -2.1754 -1.5075 -1.5075 -1.4557 -1.4557 -1.0957 -1.0956 -1.0456 -1.0456 0.2794 0.2794 0.4018 0.4019 0.5592 0.5592 0.6462 0.6463 0.7878 0.7878 0.8488 0.8488 1.3606 1.3607 1.4273 1.4273 1.8697 1.8697 1.9157 1.9158 2.3232 2.3233 2.3816 2.3816 4.6367 4.6367 4.7661 4.7661 4.8523 4.8523 4.9831 4.9831 6.1421 6.1421 k =-0.2128 0.1675 0.1525 ( 10156 PWs) bands (ev): -12.8807 -12.8807 -12.8802 -12.8801 -12.1275 -12.1275 -12.1267 -12.1267 -10.4736 -10.4736 -10.4728 -10.4728 -7.8545 -7.8545 -7.8517 -7.8517 -2.2188 -2.2188 -2.1982 -2.1982 -1.5285 -1.5284 -1.4771 -1.4771 -1.1318 -1.1318 -1.0820 -1.0820 0.2751 0.2751 0.4007 0.4008 0.5429 0.5429 0.6373 0.6373 0.7622 0.7622 0.8240 0.8241 1.3835 1.3835 1.4436 1.4437 1.8633 1.8633 1.9131 1.9131 2.3062 2.3062 2.3656 2.3656 4.6664 4.6665 4.8009 4.8009 4.8746 4.8746 5.0085 5.0085 6.1877 6.1877 k =-0.2234 0.1759 0.1525 ( 10148 PWs) bands (ev): -12.8675 -12.8674 -12.8670 -12.8669 -12.1223 -12.1223 -12.1215 -12.1215 -10.4724 -10.4724 -10.4716 -10.4716 -7.8740 -7.8740 -7.8712 -7.8712 -2.2415 -2.2415 -2.2214 -2.2214 -1.5491 -1.5491 -1.4983 -1.4983 -1.1666 -1.1666 -1.1174 -1.1173 0.2696 0.2696 0.3980 0.3980 0.5252 0.5253 0.6281 0.6281 0.7376 0.7376 0.8007 0.8007 1.4031 1.4031 1.4576 1.4576 1.8573 1.8573 1.9118 1.9119 2.2891 2.2892 2.3492 2.3492 4.6966 4.6966 4.8356 4.8356 4.8980 4.8980 5.0345 5.0345 6.2330 6.2330 k =-0.2340 0.1842 0.1525 ( 10146 PWs) bands (ev): -12.8540 -12.8540 -12.8535 -12.8534 -12.1170 -12.1170 -12.1163 -12.1162 -10.4712 -10.4712 -10.4704 -10.4704 -7.8938 -7.8938 -7.8909 -7.8909 -2.2645 -2.2645 -2.2451 -2.2451 -1.5693 -1.5693 -1.5192 -1.5192 -1.2001 -1.2001 -1.1516 -1.1516 0.2627 0.2627 0.3930 0.3931 0.5069 0.5069 0.6187 0.6187 0.7146 0.7146 0.7790 0.7791 1.4187 1.4187 1.4686 1.4686 1.8522 1.8522 1.9125 1.9125 2.2720 2.2721 2.3325 2.3325 4.7268 4.7268 4.8695 4.8695 4.9228 4.9228 5.0610 5.0610 6.2777 6.2777 k =-0.2447 0.1926 0.1525 ( 10138 PWs) bands (ev): -12.8404 -12.8403 -12.8398 -12.8398 -12.1117 -12.1117 -12.1110 -12.1109 -10.4699 -10.4699 -10.4691 -10.4691 -7.9137 -7.9137 -7.9109 -7.9109 -2.2878 -2.2878 -2.2689 -2.2689 -1.5890 -1.5890 -1.5398 -1.5398 -1.2321 -1.2321 -1.1846 -1.1846 0.2540 0.2541 0.3850 0.3850 0.4891 0.4891 0.6091 0.6091 0.6936 0.6936 0.7591 0.7592 1.4298 1.4298 1.4763 1.4763 1.8483 1.8483 1.9154 1.9155 2.2549 2.2550 2.3154 2.3154 4.7568 4.7568 4.9015 4.9015 4.9496 4.9496 5.0879 5.0879 6.3217 6.3217 k =-0.2553 0.2010 0.1525 ( 10140 PWs) bands (ev): -12.8266 -12.8265 -12.8260 -12.8260 -12.1064 -12.1064 -12.1057 -12.1057 -10.4686 -10.4686 -10.4678 -10.4678 -7.9338 -7.9338 -7.9310 -7.9310 -2.3113 -2.3113 -2.2930 -2.2930 -1.6081 -1.6081 -1.5600 -1.5600 -1.2626 -1.2625 -1.2163 -1.2162 0.2436 0.2436 0.3725 0.3726 0.4733 0.4733 0.5992 0.5993 0.6751 0.6751 0.7411 0.7411 1.4360 1.4360 1.4804 1.4804 1.8460 1.8461 1.9209 1.9209 2.2379 2.2380 2.2982 2.2982 4.7863 4.7863 4.9307 4.9307 4.9791 4.9791 5.1150 5.1150 6.3646 6.3646 k =-0.2660 0.2094 0.1525 ( 10144 PWs) bands (ev): -12.8127 -12.8127 -12.8121 -12.8121 -12.1012 -12.1012 -12.1004 -12.1004 -10.4673 -10.4673 -10.4664 -10.4664 -7.9539 -7.9539 -7.9512 -7.9511 -2.3347 -2.3347 -2.3171 -2.3171 -1.6267 -1.6267 -1.5797 -1.5797 -1.2913 -1.2913 -1.2465 -1.2465 0.2311 0.2311 0.3550 0.3551 0.4606 0.4607 0.5892 0.5893 0.6595 0.6595 0.7248 0.7249 1.4373 1.4373 1.4807 1.4807 1.8454 1.8454 1.9286 1.9287 2.2211 2.2212 2.2811 2.2811 4.8150 4.8150 4.9567 4.9567 5.0111 5.0111 5.1423 5.1423 6.4066 6.4066 k =-0.2766 0.2177 0.1525 ( 10148 PWs) bands (ev): -12.7988 -12.7988 -12.7982 -12.7982 -12.0960 -12.0960 -12.0952 -12.0952 -10.4659 -10.4659 -10.4651 -10.4651 -7.9740 -7.9740 -7.9713 -7.9713 -2.3582 -2.3582 -2.3412 -2.3411 -1.6446 -1.6445 -1.5990 -1.5989 -1.3184 -1.3184 -1.2753 -1.2752 0.2166 0.2166 0.3325 0.3327 0.4513 0.4514 0.5793 0.5793 0.6468 0.6469 0.7104 0.7104 1.4341 1.4341 1.4772 1.4772 1.8462 1.8462 1.9382 1.9382 2.2047 2.2048 2.2645 2.2645 4.8426 4.8426 4.9800 4.9800 5.0446 5.0446 5.1696 5.1696 6.4473 6.4473 k =-0.2872 0.2261 0.1525 ( 10142 PWs) bands (ev): -12.7850 -12.7849 -12.7844 -12.7843 -12.0908 -12.0908 -12.0901 -12.0900 -10.4645 -10.4645 -10.4637 -10.4637 -7.9939 -7.9939 -7.9912 -7.9912 -2.3815 -2.3815 -2.3651 -2.3650 -1.6618 -1.6617 -1.6176 -1.6176 -1.3438 -1.3438 -1.3025 -1.3025 0.2000 0.2001 0.3063 0.3064 0.4447 0.4448 0.5696 0.5696 0.6370 0.6370 0.6976 0.6977 1.4271 1.4271 1.4702 1.4702 1.8479 1.8479 1.9489 1.9489 2.1890 2.1891 2.2488 2.2488 4.8690 4.8690 5.0013 5.0013 5.0787 5.0787 5.1968 5.1968 6.4867 6.4867 k =-0.2979 0.2345 0.1525 ( 10142 PWs) bands (ev): -12.7712 -12.7712 -12.7706 -12.7706 -12.0858 -12.0858 -12.0850 -12.0850 -10.4630 -10.4630 -10.4623 -10.4623 -8.0136 -8.0136 -8.0110 -8.0110 -2.4045 -2.4045 -2.3887 -2.3887 -1.6782 -1.6782 -1.6357 -1.6357 -1.3675 -1.3674 -1.3282 -1.3281 0.1815 0.1816 0.2775 0.2776 0.4398 0.4398 0.5607 0.5607 0.6297 0.6297 0.6867 0.6867 1.4170 1.4170 1.4600 1.4600 1.8497 1.8497 1.9596 1.9596 2.1744 2.1745 2.2347 2.2347 4.8941 4.8941 5.0210 5.0210 5.1126 5.1126 5.2237 5.2237 6.5247 6.5247 k =-0.3085 0.2429 0.1525 ( 10146 PWs) bands (ev): -12.7577 -12.7576 -12.7571 -12.7570 -12.0809 -12.0809 -12.0801 -12.0801 -10.4616 -10.4616 -10.4608 -10.4608 -8.0329 -8.0329 -8.0305 -8.0305 -2.4271 -2.4271 -2.4119 -2.4119 -1.6939 -1.6939 -1.6531 -1.6531 -1.3894 -1.3894 -1.3523 -1.3522 0.1613 0.1614 0.2472 0.2473 0.4358 0.4359 0.5527 0.5528 0.6245 0.6245 0.6774 0.6775 1.4043 1.4044 1.4471 1.4472 1.8506 1.8507 1.9689 1.9690 2.1617 2.1617 2.2228 2.2228 4.9176 4.9176 5.0392 5.0393 5.1458 5.1458 5.2502 5.2502 6.5613 6.5613 k =-0.3191 0.2512 0.1525 ( 10142 PWs) bands (ev): -12.7443 -12.7443 -12.7437 -12.7437 -12.0761 -12.0761 -12.0753 -12.0753 -10.4602 -10.4602 -10.4594 -10.4594 -8.0519 -8.0519 -8.0495 -8.0495 -2.4492 -2.4492 -2.4347 -2.4347 -1.7089 -1.7088 -1.6699 -1.6699 -1.4096 -1.4096 -1.3748 -1.3747 0.1398 0.1398 0.2161 0.2163 0.4324 0.4325 0.5459 0.5460 0.6212 0.6212 0.6700 0.6701 1.3899 1.3900 1.4322 1.4323 1.8500 1.8500 1.9753 1.9753 2.1519 2.1519 2.2137 2.2137 4.9395 4.9396 5.0561 5.0561 5.1780 5.1780 5.2761 5.2761 6.5963 6.5963 k =-0.3298 0.2596 0.1525 ( 10148 PWs) bands (ev): -12.7313 -12.7313 -12.7307 -12.7307 -12.0715 -12.0715 -12.0707 -12.0707 -10.4587 -10.4587 -10.4580 -10.4580 -8.0704 -8.0704 -8.0681 -8.0681 -2.4708 -2.4708 -2.4569 -2.4569 -1.7230 -1.7230 -1.6860 -1.6859 -1.4281 -1.4281 -1.3957 -1.3956 0.1172 0.1173 0.1849 0.1851 0.4291 0.4292 0.5403 0.5404 0.6193 0.6193 0.6645 0.6646 1.3742 1.3742 1.4158 1.4159 1.8471 1.8472 1.9771 1.9771 2.1463 2.1463 2.2078 2.2078 4.9599 4.9599 5.0717 5.0717 5.2089 5.2090 5.3012 5.3012 6.6296 6.6296 k =-0.3404 0.2680 0.1525 ( 10144 PWs) bands (ev): -12.7186 -12.7186 -12.7181 -12.7180 -12.0671 -12.0671 -12.0663 -12.0663 -10.4573 -10.4573 -10.4566 -10.4566 -8.0882 -8.0882 -8.0861 -8.0860 -2.4916 -2.4916 -2.4783 -2.4783 -1.7363 -1.7363 -1.7013 -1.7012 -1.4450 -1.4450 -1.4150 -1.4150 0.0940 0.0940 0.1540 0.1541 0.4259 0.4259 0.5357 0.5357 0.6186 0.6187 0.6611 0.6611 1.3575 1.3576 1.3984 1.3985 1.8416 1.8417 1.9730 1.9730 2.1456 2.1456 2.2053 2.2054 4.9786 4.9786 5.0859 5.0859 5.2384 5.2384 5.3253 5.3254 6.6612 6.6613 k =-0.3511 0.2764 0.1525 ( 10140 PWs) bands (ev): -12.7064 -12.7064 -12.7058 -12.7058 -12.0629 -12.0629 -12.0621 -12.0621 -10.4559 -10.4559 -10.4552 -10.4552 -8.1054 -8.1054 -8.1034 -8.1034 -2.5116 -2.5116 -2.4990 -2.4990 -1.7487 -1.7487 -1.7158 -1.7158 -1.4603 -1.4603 -1.4327 -1.4327 0.0705 0.0705 0.1237 0.1238 0.4225 0.4226 0.5319 0.5319 0.6190 0.6190 0.6598 0.6599 1.3404 1.3404 1.3805 1.3806 1.8336 1.8337 1.9632 1.9633 2.1498 2.1498 2.2060 2.2061 4.9956 4.9957 5.0989 5.0989 5.2662 5.2662 5.3484 5.3484 6.6911 6.6911 k =-0.3617 0.2847 0.1525 ( 10156 PWs) bands (ev): -12.6947 -12.6946 -12.6941 -12.6941 -12.0589 -12.0589 -12.0581 -12.0581 -10.4545 -10.4545 -10.4538 -10.4538 -8.1219 -8.1219 -8.1199 -8.1199 -2.5307 -2.5307 -2.5187 -2.5187 -1.7603 -1.7603 -1.7295 -1.7295 -1.4741 -1.4741 -1.4490 -1.4489 0.0471 0.0471 0.0943 0.0944 0.4190 0.4191 0.5286 0.5287 0.6201 0.6202 0.6608 0.6609 1.3229 1.3230 1.3626 1.3627 1.8233 1.8234 1.9488 1.9488 2.1576 2.1577 2.2096 2.2096 5.0111 5.0111 5.1106 5.1106 5.2923 5.2923 5.3703 5.3703 6.7191 6.7191 k =-0.3723 0.2931 0.1525 ( 10170 PWs) bands (ev): -12.6835 -12.6835 -12.6830 -12.6829 -12.0551 -12.0551 -12.0544 -12.0543 -10.4532 -10.4532 -10.4525 -10.4525 -8.1375 -8.1375 -8.1357 -8.1357 -2.5488 -2.5488 -2.5374 -2.5374 -1.7711 -1.7710 -1.7424 -1.7424 -1.4865 -1.4864 -1.4637 -1.4637 0.0240 0.0241 0.0661 0.0662 0.4155 0.4156 0.5256 0.5257 0.6221 0.6221 0.6639 0.6639 1.3054 1.3054 1.3450 1.3451 1.8111 1.8112 1.9312 1.9312 2.1678 2.1678 2.2154 2.2154 5.0251 5.0251 5.1212 5.1212 5.3165 5.3165 5.3908 5.3908 6.7451 6.7451 k =-0.3830 0.3015 0.1525 ( 10180 PWs) bands (ev): -12.6730 -12.6729 -12.6724 -12.6724 -12.0516 -12.0516 -12.0508 -12.0508 -10.4519 -10.4519 -10.4512 -10.4512 -8.1522 -8.1522 -8.1505 -8.1505 -2.5658 -2.5657 -2.5550 -2.5550 -1.7809 -1.7809 -1.7545 -1.7545 -1.4974 -1.4974 -1.4770 -1.4769 0.0018 0.0018 0.0394 0.0395 0.4120 0.4121 0.5228 0.5229 0.6247 0.6247 0.6688 0.6689 1.2879 1.2879 1.3281 1.3281 1.7977 1.7977 1.9116 1.9116 2.1791 2.1791 2.2228 2.2229 5.0375 5.0375 5.1305 5.1306 5.3389 5.3389 5.4099 5.4099 6.7691 6.7691 k =-0.3936 0.3099 0.1525 ( 10172 PWs) bands (ev): -12.6631 -12.6631 -12.6626 -12.6626 -12.0484 -12.0484 -12.0476 -12.0476 -10.4507 -10.4507 -10.4500 -10.4500 -8.1659 -8.1659 -8.1643 -8.1643 -2.5815 -2.5815 -2.5714 -2.5714 -1.7898 -1.7898 -1.7657 -1.7656 -1.5071 -1.5070 -1.4888 -1.4888 -0.0195 -0.0194 0.0143 0.0144 0.4085 0.4086 0.5200 0.5201 0.6280 0.6280 0.6754 0.6755 1.2705 1.2706 1.3121 1.3122 1.7835 1.7836 1.8910 1.8911 2.1907 2.1908 2.2313 2.2314 5.0486 5.0486 5.1389 5.1389 5.3593 5.3593 5.4275 5.4275 6.7911 6.7911 k =-0.4043 0.3182 0.1525 ( 10174 PWs) bands (ev): -12.6540 -12.6540 -12.6535 -12.6535 -12.0454 -12.0454 -12.0447 -12.0446 -10.4496 -10.4496 -10.4489 -10.4489 -8.1785 -8.1785 -8.1771 -8.1771 -2.5961 -2.5961 -2.5865 -2.5865 -1.7978 -1.7978 -1.7759 -1.7759 -1.5155 -1.5155 -1.4994 -1.4994 -0.0395 -0.0394 -0.0090 -0.0090 0.4052 0.4053 0.5173 0.5173 0.6317 0.6317 0.6833 0.6834 1.2535 1.2536 1.2974 1.2974 1.7693 1.7693 1.8703 1.8703 2.2022 2.2022 2.2404 2.2404 5.0583 5.0583 5.1461 5.1461 5.3777 5.3777 5.4435 5.4436 6.8110 6.8110 k =-0.4149 0.3266 0.1525 ( 10178 PWs) bands (ev): -12.6457 -12.6457 -12.6452 -12.6452 -12.0427 -12.0427 -12.0420 -12.0420 -10.4485 -10.4485 -10.4479 -10.4479 -8.1900 -8.1900 -8.1887 -8.1887 -2.6092 -2.6092 -2.6002 -2.6002 -1.8049 -1.8049 -1.7853 -1.7853 -1.5227 -1.5227 -1.5086 -1.5086 -0.0580 -0.0579 -0.0304 -0.0303 0.4021 0.4022 0.5146 0.5146 0.6358 0.6358 0.6922 0.6922 1.2370 1.2371 1.2840 1.2841 1.7555 1.7555 1.8499 1.8499 2.2130 2.2131 2.2495 2.2495 5.0667 5.0667 5.1524 5.1524 5.3942 5.3942 5.4580 5.4580 6.8288 6.8288 k =-0.4255 0.3350 0.1525 ( 10182 PWs) bands (ev): -12.6382 -12.6382 -12.6378 -12.6377 -12.0404 -12.0403 -12.0396 -12.0396 -10.4476 -10.4476 -10.4469 -10.4469 -8.2003 -8.2003 -8.1991 -8.1991 -2.6210 -2.6210 -2.6125 -2.6125 -1.8111 -1.8110 -1.7937 -1.7937 -1.5289 -1.5289 -1.5167 -1.5167 -0.0748 -0.0748 -0.0495 -0.0494 0.3993 0.3993 0.5120 0.5120 0.6400 0.6400 0.7015 0.7016 1.2213 1.2213 1.2721 1.2722 1.7425 1.7425 1.8304 1.8304 2.2231 2.2231 2.2583 2.2583 5.0739 5.0739 5.1578 5.1578 5.4087 5.4087 5.4707 5.4707 6.8444 6.8444 k =-0.4362 0.3434 0.1525 ( 10190 PWs) bands (ev): -12.6317 -12.6316 -12.6312 -12.6312 -12.0383 -12.0383 -12.0375 -12.0375 -10.4467 -10.4467 -10.4461 -10.4461 -8.2093 -8.2093 -8.2083 -8.2083 -2.6313 -2.6313 -2.6233 -2.6233 -1.8163 -1.8162 -1.8012 -1.8011 -1.5340 -1.5340 -1.5236 -1.5235 -0.0898 -0.0897 -0.0664 -0.0663 0.3967 0.3968 0.5096 0.5096 0.6441 0.6441 0.7110 0.7111 1.2065 1.2065 1.2618 1.2619 1.7307 1.7308 1.8123 1.8123 2.2320 2.2320 2.2664 2.2665 5.0800 5.0800 5.1624 5.1624 5.4212 5.4212 5.4818 5.4818 6.8580 6.8580 k =-0.4468 0.3517 0.1525 ( 10182 PWs) bands (ev): -12.6260 -12.6260 -12.6256 -12.6256 -12.0365 -12.0365 -12.0358 -12.0358 -10.4460 -10.4460 -10.4454 -10.4454 -8.2170 -8.2170 -8.2162 -8.2162 -2.6401 -2.6401 -2.6326 -2.6326 -1.8205 -1.8205 -1.8077 -1.8077 -1.5382 -1.5381 -1.5294 -1.5293 -0.1027 -0.1027 -0.0809 -0.0809 0.3945 0.3945 0.5074 0.5074 0.6480 0.6480 0.7203 0.7203 1.1930 1.1931 1.2531 1.2531 1.7205 1.7206 1.7959 1.7959 2.2398 2.2398 2.2737 2.2737 5.0851 5.0851 5.1661 5.1661 5.4318 5.4318 5.4912 5.4912 6.8694 6.8694 k =-0.4574 0.3601 0.1525 ( 10178 PWs) bands (ev): -12.6214 -12.6214 -12.6210 -12.6209 -12.0350 -12.0350 -12.0343 -12.0343 -10.4453 -10.4453 -10.4448 -10.4447 -8.2234 -8.2234 -8.2227 -8.2227 -2.6474 -2.6474 -2.6402 -2.6402 -1.8238 -1.8238 -1.8132 -1.8132 -1.5414 -1.5414 -1.5341 -1.5341 -0.1135 -0.1134 -0.0929 -0.0929 0.3927 0.3927 0.5055 0.5056 0.6515 0.6515 0.7287 0.7288 1.1813 1.1813 1.2460 1.2460 1.7121 1.7121 1.7818 1.7818 2.2463 2.2464 2.2799 2.2799 5.0892 5.0892 5.1691 5.1691 5.4404 5.4404 5.4989 5.4989 6.8787 6.8787 k =-0.4681 0.3685 0.1525 ( 10182 PWs) bands (ev): -12.6177 -12.6177 -12.6173 -12.6173 -12.0339 -12.0339 -12.0332 -12.0332 -10.4449 -10.4449 -10.4443 -10.4443 -8.2284 -8.2284 -8.2278 -8.2278 -2.6530 -2.6530 -2.6462 -2.6462 -1.8262 -1.8262 -1.8177 -1.8177 -1.5438 -1.5438 -1.5378 -1.5378 -0.1220 -0.1219 -0.1023 -0.1023 0.3912 0.3912 0.5040 0.5041 0.6543 0.6543 0.7360 0.7360 1.1716 1.1716 1.2404 1.2405 1.7056 1.7056 1.7702 1.7702 2.2515 2.2515 2.2848 2.2849 5.0923 5.0923 5.1714 5.1714 5.4471 5.4471 5.5049 5.5049 6.8859 6.8859 k =-0.4787 0.3769 0.1525 ( 10190 PWs) bands (ev): -12.6151 -12.6151 -12.6147 -12.6147 -12.0331 -12.0331 -12.0324 -12.0324 -10.4445 -10.4445 -10.4439 -10.4439 -8.2319 -8.2319 -8.2315 -8.2314 -2.6571 -2.6571 -2.6505 -2.6505 -1.8277 -1.8277 -1.8211 -1.8211 -1.5454 -1.5454 -1.5405 -1.5405 -0.1281 -0.1281 -0.1091 -0.1091 0.3902 0.3902 0.5029 0.5030 0.6564 0.6564 0.7415 0.7415 1.1643 1.1643 1.2365 1.2365 1.7009 1.7009 1.7616 1.7616 2.2552 2.2552 2.2885 2.2885 5.0944 5.0944 5.1730 5.1730 5.4518 5.4518 5.5091 5.5091 6.8911 6.8911 k =-0.4894 0.3852 0.1525 ( 10208 PWs) bands (ev): -12.6135 -12.6135 -12.6131 -12.6131 -12.0326 -12.0326 -12.0319 -12.0319 -10.4443 -10.4443 -10.4437 -10.4437 -8.2341 -8.2341 -8.2337 -8.2337 -2.6595 -2.6595 -2.6531 -2.6531 -1.8284 -1.8284 -1.8233 -1.8233 -1.5463 -1.5463 -1.5421 -1.5421 -0.1318 -0.1318 -0.1132 -0.1132 0.3896 0.3896 0.5023 0.5023 0.6578 0.6578 0.7450 0.7450 1.1598 1.1598 1.2341 1.2341 1.6982 1.6982 1.7562 1.7562 2.2575 2.2575 2.2907 2.2907 5.0957 5.0957 5.1739 5.1739 5.4547 5.4547 5.5117 5.5117 6.8942 6.8942 k =-0.5000 0.3936 0.1525 ( 10208 PWs) bands (ev): -12.6130 -12.6130 -12.6126 -12.6126 -12.0325 -12.0325 -12.0317 -12.0317 -10.4442 -10.4442 -10.4436 -10.4436 -8.2348 -8.2348 -8.2344 -8.2344 -2.6604 -2.6604 -2.6540 -2.6540 -1.8286 -1.8286 -1.8241 -1.8241 -1.5466 -1.5466 -1.5427 -1.5427 -0.1330 -0.1330 -0.1145 -0.1145 0.3893 0.3893 0.5021 0.5021 0.6582 0.6582 0.7462 0.7462 1.1583 1.1583 1.2333 1.2333 1.6973 1.6973 1.7544 1.7544 2.2582 2.2582 2.2914 2.2914 5.0962 5.0962 5.1743 5.1743 5.4556 5.4556 5.5125 5.5125 6.8953 6.8953 Writing output data file SeBr.save init_run : 2.33s CPU 10.00s WALL ( 1 calls) electrons : 1273.87s CPU 1303.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.47s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 1273.85s CPU 1302.68s WALL ( 1 calls) v_of_rho : 0.22s CPU 1.02s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.21s CPU 0.63s WALL ( 1 calls) newd : 0.15s CPU 0.50s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.17s WALL ( 334 calls) cegterg : 953.95s CPU 967.49s WALL ( 667 calls) Called by sum_band: Called by *egterg: h_psi : 506.19s CPU 515.94s WALL ( 8794 calls) s_psi : 25.44s CPU 25.57s WALL ( 8794 calls) g_psi : 1.67s CPU 1.67s WALL ( 7793 calls) cdiaghg : 260.62s CPU 259.74s WALL ( 8127 calls) cegterg:over : 98.18s CPU 96.40s WALL ( 7793 calls) cegterg:upda : 35.04s CPU 37.76s WALL ( 7793 calls) cegterg:last : 27.14s CPU 28.32s WALL ( 1669 calls) Called by h_psi: h_psi:vloc : 439.66s CPU 446.16s WALL ( 8794 calls) h_psi:vnl : 65.47s CPU 67.81s WALL ( 8794 calls) add_vuspsi : 20.17s CPU 22.97s WALL ( 8794 calls) General routines calbec : 45.25s CPU 44.77s WALL ( 8794 calls) fft : 0.72s CPU 1.55s WALL ( 19 calls) ffts : 0.00s CPU 0.06s WALL ( 4 calls) fftw : 417.81s CPU 427.46s WALL ( 1257392 calls) interpolate : 0.04s CPU 0.09s WALL ( 4 calls) davcio : 0.03s CPU 20.91s WALL ( 668 calls) Parallel routines fft_scatter : 250.41s CPU 287.32s WALL ( 1257415 calls) PWSCF : 25m22.85s CPU 33m33.90s WALL This run was terminated on: 6:34:52 28Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=