Program PWSCF v.5.1.1 starts on 8Oct2015 at 23: 1:27 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: ./YCoC2.save/ file Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 26 14 4 676 280 46 Max 27 15 5 679 293 51 Sum 1265 719 223 32491 13715 2343 bravais-lattice index = 14 lattice parameter (alat) = 7.1171 a.u. unit-cell volume = 324.8482 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.117089 celldm(2)= 1.000000 celldm(3)= 0.939143 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.281733 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.281733 0.959493 0.000000 ) a(3) = ( 0.000000 0.000000 0.939143 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.293627 -0.000000 ) b(2) = ( 0.000000 1.042217 -0.000000 ) b(3) = ( 0.000000 0.000000 1.064801 ) PseudoPot. # 1 for Co read from file: /home/autes/Pseudo/Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6e843fd57bb34a371311d5dc8eddf880 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1193 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /home/autes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Co 9.00 58.93320 Co( 1.00) C 4.00 12.01070 C( 1.00) Y 11.00 88.90590 Y( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 506 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 2) = ( 0.0070927 0.0094747 -0.0000000), wk = 0.0019763 k( 3) = ( 0.0141853 0.0189494 -0.0000000), wk = 0.0019763 k( 4) = ( 0.0212780 0.0284241 -0.0000000), wk = 0.0019763 k( 5) = ( 0.0283707 0.0378988 -0.0000000), wk = 0.0019763 k( 6) = ( 0.0354633 0.0473735 -0.0000000), wk = 0.0019763 k( 7) = ( 0.0425560 0.0568482 -0.0000000), wk = 0.0019763 k( 8) = ( 0.0496487 0.0663229 -0.0000000), wk = 0.0019763 k( 9) = ( 0.0567414 0.0757976 -0.0000000), wk = 0.0019763 k( 10) = ( 0.0638340 0.0852723 -0.0000000), wk = 0.0019763 k( 11) = ( 0.0709267 0.0947470 -0.0000000), wk = 0.0019763 k( 12) = ( 0.0780194 0.1042217 -0.0000000), wk = 0.0019763 k( 13) = ( 0.0851120 0.1136964 -0.0000000), wk = 0.0019763 k( 14) = ( 0.0922047 0.1231711 -0.0000000), wk = 0.0019763 k( 15) = ( 0.0992974 0.1326458 -0.0000000), wk = 0.0019763 k( 16) = ( 0.1063901 0.1421205 -0.0000000), wk = 0.0019763 k( 17) = ( 0.1134827 0.1515952 -0.0000000), wk = 0.0019763 k( 18) = ( 0.1205754 0.1610699 -0.0000000), wk = 0.0019763 k( 19) = ( 0.1276681 0.1705446 -0.0000000), wk = 0.0019763 k( 20) = ( 0.1347607 0.1800193 -0.0000000), wk = 0.0019763 k( 21) = ( 0.1418534 0.1894940 -0.0000000), wk = 0.0019763 k( 22) = ( 0.1489461 0.1989687 -0.0000000), wk = 0.0019763 k( 23) = ( 0.1560388 0.2084434 -0.0000000), wk = 0.0019763 k( 24) = ( 0.1631314 0.2179181 -0.0000000), wk = 0.0019763 k( 25) = ( 0.1702241 0.2273928 -0.0000000), wk = 0.0019763 k( 26) = ( 0.1773168 0.2368676 -0.0000000), wk = 0.0019763 k( 27) = ( 0.1844094 0.2463423 -0.0000000), wk = 0.0019763 k( 28) = ( 0.1915021 0.2558170 -0.0000000), wk = 0.0019763 k( 29) = ( 0.1985948 0.2652917 -0.0000000), wk = 0.0019763 k( 30) = ( 0.2056874 0.2747664 -0.0000000), wk = 0.0019763 k( 31) = ( 0.2127801 0.2842411 -0.0000000), wk = 0.0019763 k( 32) = ( 0.2198728 0.2937158 -0.0000000), wk = 0.0019763 k( 33) = ( 0.2269655 0.3031905 -0.0000000), wk = 0.0019763 k( 34) = ( 0.2340581 0.3126652 -0.0000000), wk = 0.0019763 k( 35) = ( 0.2411508 0.3221399 -0.0000000), wk = 0.0019763 k( 36) = ( 0.2482435 0.3316146 -0.0000000), wk = 0.0019763 k( 37) = ( 0.2553361 0.3410893 -0.0000000), wk = 0.0019763 k( 38) = ( 0.2624288 0.3505640 -0.0000000), wk = 0.0019763 k( 39) = ( 0.2695215 0.3600387 -0.0000000), wk = 0.0019763 k( 40) = ( 0.2766142 0.3695134 -0.0000000), wk = 0.0019763 k( 41) = ( 0.2837068 0.3789881 -0.0000000), wk = 0.0019763 k( 42) = ( 0.2907995 0.3884628 -0.0000000), wk = 0.0019763 k( 43) = ( 0.2978922 0.3979375 -0.0000000), wk = 0.0019763 k( 44) = ( 0.3049848 0.4074122 -0.0000000), wk = 0.0019763 k( 45) = ( 0.3120775 0.4168869 -0.0000000), wk = 0.0019763 k( 46) = ( 0.3191702 0.4263616 -0.0000000), wk = 0.0019763 k( 47) = ( 0.3262628 0.4358363 -0.0000000), wk = 0.0019763 k( 48) = ( 0.3333555 0.4453110 -0.0000000), wk = 0.0019763 k( 49) = ( 0.3404482 0.4547857 -0.0000000), wk = 0.0019763 k( 50) = ( 0.3475409 0.4642604 -0.0000000), wk = 0.0019763 k( 51) = ( 0.3546335 0.4737351 -0.0000000), wk = 0.0019763 k( 52) = ( 0.3617262 0.4832098 -0.0000000), wk = 0.0019763 k( 53) = ( 0.3688189 0.4926845 -0.0000000), wk = 0.0019763 k( 54) = ( 0.3759115 0.5021592 -0.0000000), wk = 0.0019763 k( 55) = ( 0.3830042 0.5116339 -0.0000000), wk = 0.0019763 k( 56) = ( 0.3900969 0.5211086 -0.0000000), wk = 0.0019763 k( 57) = ( 0.3900969 0.5211086 -0.0000000), wk = 0.0019763 k( 58) = ( 0.3782758 0.5211086 -0.0000000), wk = 0.0019763 k( 59) = ( 0.3664546 0.5211086 -0.0000000), wk = 0.0019763 k( 60) = ( 0.3546335 0.5211086 -0.0000000), wk = 0.0019763 k( 61) = ( 0.3428124 0.5211086 -0.0000000), wk = 0.0019763 k( 62) = ( 0.3309913 0.5211086 -0.0000000), wk = 0.0019763 k( 63) = ( 0.3191702 0.5211086 -0.0000000), wk = 0.0019763 k( 64) = ( 0.3073491 0.5211086 -0.0000000), wk = 0.0019763 k( 65) = ( 0.2955279 0.5211086 -0.0000000), wk = 0.0019763 k( 66) = ( 0.2837068 0.5211086 -0.0000000), wk = 0.0019763 k( 67) = ( 0.2718857 0.5211086 -0.0000000), wk = 0.0019763 k( 68) = ( 0.2600646 0.5211086 -0.0000000), wk = 0.0019763 k( 69) = ( 0.2482435 0.5211086 -0.0000000), wk = 0.0019763 k( 70) = ( 0.2364224 0.5211086 -0.0000000), wk = 0.0019763 k( 71) = ( 0.2246012 0.5211086 -0.0000000), wk = 0.0019763 k( 72) = ( 0.2127801 0.5211086 -0.0000000), wk = 0.0019763 k( 73) = ( 0.2009590 0.5211086 -0.0000000), wk = 0.0019763 k( 74) = ( 0.1891379 0.5211086 -0.0000000), wk = 0.0019763 k( 75) = ( 0.1773168 0.5211086 -0.0000000), wk = 0.0019763 k( 76) = ( 0.1654956 0.5211086 -0.0000000), wk = 0.0019763 k( 77) = ( 0.1536745 0.5211086 -0.0000000), wk = 0.0019763 k( 78) = ( 0.1418534 0.5211086 -0.0000000), wk = 0.0019763 k( 79) = ( 0.1300323 0.5211086 -0.0000000), wk = 0.0019763 k( 80) = ( 0.1182112 0.5211086 -0.0000000), wk = 0.0019763 k( 81) = ( 0.1063901 0.5211086 -0.0000000), wk = 0.0019763 k( 82) = ( 0.0945689 0.5211086 -0.0000000), wk = 0.0019763 k( 83) = ( 0.0827478 0.5211086 -0.0000000), wk = 0.0019763 k( 84) = ( 0.0709267 0.5211086 -0.0000000), wk = 0.0019763 k( 85) = ( 0.0591056 0.5211086 -0.0000000), wk = 0.0019763 k( 86) = ( 0.0472845 0.5211086 -0.0000000), wk = 0.0019763 k( 87) = ( 0.0354633 0.5211086 -0.0000000), wk = 0.0019763 k( 88) = ( 0.0236422 0.5211086 -0.0000000), wk = 0.0019763 k( 89) = ( 0.0118211 0.5211086 -0.0000000), wk = 0.0019763 k( 90) = ( 0.0000000 0.5211086 -0.0000000), wk = 0.0019763 k( 91) = ( 0.0000000 0.5211086 -0.0000000), wk = 0.0019763 k( 92) = ( 0.0000000 0.5211086 0.0118311), wk = 0.0019763 k( 93) = ( 0.0000000 0.5211086 0.0236622), wk = 0.0019763 k( 94) = ( 0.0000000 0.5211086 0.0354934), wk = 0.0019763 k( 95) = ( 0.0000000 0.5211086 0.0473245), wk = 0.0019763 k( 96) = ( 0.0000000 0.5211086 0.0591556), wk = 0.0019763 k( 97) = ( 0.0000000 0.5211086 0.0709867), wk = 0.0019763 k( 98) = ( 0.0000000 0.5211086 0.0828179), wk = 0.0019763 k( 99) = ( 0.0000000 0.5211086 0.0946490), wk = 0.0019763 k( 100) = ( 0.0000000 0.5211086 0.1064801), wk = 0.0019763 k( 101) = ( 0.0000000 0.5211086 0.1183112), wk = 0.0019763 k( 102) = ( 0.0000000 0.5211086 0.1301424), wk = 0.0019763 k( 103) = ( 0.0000000 0.5211086 0.1419735), wk = 0.0019763 k( 104) = ( 0.0000000 0.5211086 0.1538046), wk = 0.0019763 k( 105) = ( 0.0000000 0.5211086 0.1656357), wk = 0.0019763 k( 106) = ( 0.0000000 0.5211086 0.1774669), wk = 0.0019763 k( 107) = ( 0.0000000 0.5211086 0.1892980), wk = 0.0019763 k( 108) = ( 0.0000000 0.5211086 0.2011291), wk = 0.0019763 k( 109) = ( 0.0000000 0.5211086 0.2129602), wk = 0.0019763 k( 110) = ( 0.0000000 0.5211086 0.2247913), wk = 0.0019763 k( 111) = ( 0.0000000 0.5211086 0.2366225), wk = 0.0019763 k( 112) = ( 0.0000000 0.5211086 0.2484536), wk = 0.0019763 k( 113) = ( 0.0000000 0.5211086 0.2602847), wk = 0.0019763 k( 114) = ( 0.0000000 0.5211086 0.2721158), wk = 0.0019763 k( 115) = ( 0.0000000 0.5211086 0.2839470), wk = 0.0019763 k( 116) = ( 0.0000000 0.5211086 0.2957781), wk = 0.0019763 k( 117) = ( 0.0000000 0.5211086 0.3076092), wk = 0.0019763 k( 118) = ( 0.0000000 0.5211086 0.3194403), wk = 0.0019763 k( 119) = ( 0.0000000 0.5211086 0.3312715), wk = 0.0019763 k( 120) = ( 0.0000000 0.5211086 0.3431026), wk = 0.0019763 k( 121) = ( 0.0000000 0.5211086 0.3549337), wk = 0.0019763 k( 122) = ( 0.0000000 0.5211086 0.3667648), wk = 0.0019763 k( 123) = ( 0.0000000 0.5211086 0.3785960), wk = 0.0019763 k( 124) = ( 0.0000000 0.5211086 0.3904271), wk = 0.0019763 k( 125) = ( 0.0000000 0.5211086 0.4022582), wk = 0.0019763 k( 126) = ( 0.0000000 0.5211086 0.4140893), wk = 0.0019763 k( 127) = ( 0.0000000 0.5211086 0.4259204), wk = 0.0019763 k( 128) = ( 0.0000000 0.5211086 0.4377516), wk = 0.0019763 k( 129) = ( 0.0000000 0.5211086 0.4495827), wk = 0.0019763 k( 130) = ( 0.0000000 0.5211086 0.4614138), wk = 0.0019763 k( 131) = ( 0.0000000 0.5211086 0.4732449), wk = 0.0019763 k( 132) = ( 0.0000000 0.5211086 0.4850761), wk = 0.0019763 k( 133) = ( 0.0000000 0.5211086 0.4969072), wk = 0.0019763 k( 134) = ( 0.0000000 0.5211086 0.5087383), wk = 0.0019763 k( 135) = ( 0.0000000 0.5211086 0.5205694), wk = 0.0019763 k( 136) = ( 0.0000000 0.5211086 0.5324006), wk = 0.0019763 k( 137) = ( 0.0000000 0.5211086 0.5324006), wk = 0.0019763 k( 138) = ( 0.0118211 0.5211086 0.5324006), wk = 0.0019763 k( 139) = ( 0.0236422 0.5211086 0.5324006), wk = 0.0019763 k( 140) = ( 0.0354633 0.5211086 0.5324006), wk = 0.0019763 k( 141) = ( 0.0472845 0.5211086 0.5324006), wk = 0.0019763 k( 142) = ( 0.0591056 0.5211086 0.5324006), wk = 0.0019763 k( 143) = ( 0.0709267 0.5211086 0.5324006), wk = 0.0019763 k( 144) = ( 0.0827478 0.5211086 0.5324006), wk = 0.0019763 k( 145) = ( 0.0945689 0.5211086 0.5324006), wk = 0.0019763 k( 146) = ( 0.1063901 0.5211086 0.5324006), wk = 0.0019763 k( 147) = ( 0.1182112 0.5211086 0.5324006), wk = 0.0019763 k( 148) = ( 0.1300323 0.5211086 0.5324006), wk = 0.0019763 k( 149) = ( 0.1418534 0.5211086 0.5324006), wk = 0.0019763 k( 150) = ( 0.1536745 0.5211086 0.5324006), wk = 0.0019763 k( 151) = ( 0.1654956 0.5211086 0.5324006), wk = 0.0019763 k( 152) = ( 0.1773168 0.5211086 0.5324006), wk = 0.0019763 k( 153) = ( 0.1891379 0.5211086 0.5324006), wk = 0.0019763 k( 154) = ( 0.2009590 0.5211086 0.5324006), wk = 0.0019763 k( 155) = ( 0.2127801 0.5211086 0.5324006), wk = 0.0019763 k( 156) = ( 0.2246012 0.5211086 0.5324006), wk = 0.0019763 k( 157) = ( 0.2364224 0.5211086 0.5324006), wk = 0.0019763 k( 158) = ( 0.2482435 0.5211086 0.5324006), wk = 0.0019763 k( 159) = ( 0.2600646 0.5211086 0.5324006), wk = 0.0019763 k( 160) = ( 0.2718857 0.5211086 0.5324006), wk = 0.0019763 k( 161) = ( 0.2837068 0.5211086 0.5324006), wk = 0.0019763 k( 162) = ( 0.2955279 0.5211086 0.5324006), wk = 0.0019763 k( 163) = ( 0.3073491 0.5211086 0.5324006), wk = 0.0019763 k( 164) = ( 0.3191702 0.5211086 0.5324006), wk = 0.0019763 k( 165) = ( 0.3309913 0.5211086 0.5324006), wk = 0.0019763 k( 166) = ( 0.3428124 0.5211086 0.5324006), wk = 0.0019763 k( 167) = ( 0.3546335 0.5211086 0.5324006), wk = 0.0019763 k( 168) = ( 0.3664546 0.5211086 0.5324006), wk = 0.0019763 k( 169) = ( 0.3782758 0.5211086 0.5324006), wk = 0.0019763 k( 170) = ( 0.3900969 0.5211086 0.5324006), wk = 0.0019763 k( 171) = ( 0.3900969 0.5211086 0.5324006), wk = 0.0019763 k( 172) = ( 0.3830042 0.5116339 0.5324006), wk = 0.0019763 k( 173) = ( 0.3759115 0.5021592 0.5324006), wk = 0.0019763 k( 174) = ( 0.3688189 0.4926845 0.5324006), wk = 0.0019763 k( 175) = ( 0.3617262 0.4832098 0.5324006), wk = 0.0019763 k( 176) = ( 0.3546335 0.4737351 0.5324006), wk = 0.0019763 k( 177) = ( 0.3475409 0.4642604 0.5324006), wk = 0.0019763 k( 178) = ( 0.3404482 0.4547857 0.5324006), wk = 0.0019763 k( 179) = ( 0.3333555 0.4453110 0.5324006), wk = 0.0019763 k( 180) = ( 0.3262628 0.4358363 0.5324006), wk = 0.0019763 k( 181) = ( 0.3191702 0.4263616 0.5324006), wk = 0.0019763 k( 182) = ( 0.3120775 0.4168869 0.5324006), wk = 0.0019763 k( 183) = ( 0.3049848 0.4074122 0.5324006), wk = 0.0019763 k( 184) = ( 0.2978922 0.3979375 0.5324006), wk = 0.0019763 k( 185) = ( 0.2907995 0.3884628 0.5324006), wk = 0.0019763 k( 186) = ( 0.2837068 0.3789881 0.5324006), wk = 0.0019763 k( 187) = ( 0.2766142 0.3695134 0.5324006), wk = 0.0019763 k( 188) = ( 0.2695215 0.3600387 0.5324006), wk = 0.0019763 k( 189) = ( 0.2624288 0.3505640 0.5324006), wk = 0.0019763 k( 190) = ( 0.2553361 0.3410893 0.5324006), wk = 0.0019763 k( 191) = ( 0.2482435 0.3316146 0.5324006), wk = 0.0019763 k( 192) = ( 0.2411508 0.3221399 0.5324006), wk = 0.0019763 k( 193) = ( 0.2340581 0.3126652 0.5324006), wk = 0.0019763 k( 194) = ( 0.2269655 0.3031905 0.5324006), wk = 0.0019763 k( 195) = ( 0.2198728 0.2937158 0.5324006), wk = 0.0019763 k( 196) = ( 0.2127801 0.2842411 0.5324006), wk = 0.0019763 k( 197) = ( 0.2056874 0.2747664 0.5324006), wk = 0.0019763 k( 198) = ( 0.1985948 0.2652917 0.5324006), wk = 0.0019763 k( 199) = ( 0.1915021 0.2558170 0.5324006), wk = 0.0019763 k( 200) = ( 0.1844094 0.2463423 0.5324006), wk = 0.0019763 k( 201) = ( 0.1773168 0.2368676 0.5324006), wk = 0.0019763 k( 202) = ( 0.1702241 0.2273928 0.5324006), wk = 0.0019763 k( 203) = ( 0.1631314 0.2179181 0.5324006), wk = 0.0019763 k( 204) = ( 0.1560388 0.2084434 0.5324006), wk = 0.0019763 k( 205) = ( 0.1489461 0.1989687 0.5324006), wk = 0.0019763 k( 206) = ( 0.1418534 0.1894940 0.5324006), wk = 0.0019763 k( 207) = ( 0.1347607 0.1800193 0.5324006), wk = 0.0019763 k( 208) = ( 0.1276681 0.1705446 0.5324006), wk = 0.0019763 k( 209) = ( 0.1205754 0.1610699 0.5324006), wk = 0.0019763 k( 210) = ( 0.1134827 0.1515952 0.5324006), wk = 0.0019763 k( 211) = ( 0.1063901 0.1421205 0.5324006), wk = 0.0019763 k( 212) = ( 0.0992974 0.1326458 0.5324006), wk = 0.0019763 k( 213) = ( 0.0922047 0.1231711 0.5324006), wk = 0.0019763 k( 214) = ( 0.0851120 0.1136964 0.5324006), wk = 0.0019763 k( 215) = ( 0.0780194 0.1042217 0.5324006), wk = 0.0019763 k( 216) = ( 0.0709267 0.0947470 0.5324006), wk = 0.0019763 k( 217) = ( 0.0638340 0.0852723 0.5324006), wk = 0.0019763 k( 218) = ( 0.0567414 0.0757976 0.5324006), wk = 0.0019763 k( 219) = ( 0.0496487 0.0663229 0.5324006), wk = 0.0019763 k( 220) = ( 0.0425560 0.0568482 0.5324006), wk = 0.0019763 k( 221) = ( 0.0354633 0.0473735 0.5324006), wk = 0.0019763 k( 222) = ( 0.0283707 0.0378988 0.5324006), wk = 0.0019763 k( 223) = ( 0.0212780 0.0284241 0.5324006), wk = 0.0019763 k( 224) = ( 0.0141853 0.0189494 0.5324006), wk = 0.0019763 k( 225) = ( 0.0070927 0.0094747 0.5324006), wk = 0.0019763 k( 226) = ( 0.0000000 0.0000000 0.5324006), wk = 0.0019763 k( 227) = ( 0.0000000 0.0000000 0.5324006), wk = 0.0019763 k( 228) = ( 0.0000000 0.0000000 0.5205694), wk = 0.0019763 k( 229) = ( 0.0000000 0.0000000 0.5087383), wk = 0.0019763 k( 230) = ( 0.0000000 0.0000000 0.4969072), wk = 0.0019763 k( 231) = ( 0.0000000 0.0000000 0.4850761), wk = 0.0019763 k( 232) = ( 0.0000000 0.0000000 0.4732449), wk = 0.0019763 k( 233) = ( 0.0000000 0.0000000 0.4614138), wk = 0.0019763 k( 234) = ( 0.0000000 0.0000000 0.4495827), wk = 0.0019763 k( 235) = ( 0.0000000 0.0000000 0.4377516), wk = 0.0019763 k( 236) = ( 0.0000000 0.0000000 0.4259204), wk = 0.0019763 k( 237) = ( 0.0000000 0.0000000 0.4140893), wk = 0.0019763 k( 238) = ( 0.0000000 0.0000000 0.4022582), wk = 0.0019763 k( 239) = ( 0.0000000 0.0000000 0.3904271), wk = 0.0019763 k( 240) = ( 0.0000000 0.0000000 0.3785960), wk = 0.0019763 k( 241) = ( 0.0000000 0.0000000 0.3667648), wk = 0.0019763 k( 242) = ( 0.0000000 0.0000000 0.3549337), wk = 0.0019763 k( 243) = ( 0.0000000 0.0000000 0.3431026), wk = 0.0019763 k( 244) = ( 0.0000000 0.0000000 0.3312715), wk = 0.0019763 k( 245) = ( 0.0000000 0.0000000 0.3194403), wk = 0.0019763 k( 246) = ( 0.0000000 0.0000000 0.3076092), wk = 0.0019763 k( 247) = ( 0.0000000 0.0000000 0.2957781), wk = 0.0019763 k( 248) = ( 0.0000000 0.0000000 0.2839470), wk = 0.0019763 k( 249) = ( 0.0000000 0.0000000 0.2721158), wk = 0.0019763 k( 250) = ( 0.0000000 0.0000000 0.2602847), wk = 0.0019763 k( 251) = ( 0.0000000 0.0000000 0.2484536), wk = 0.0019763 k( 252) = ( 0.0000000 0.0000000 0.2366225), wk = 0.0019763 k( 253) = ( 0.0000000 0.0000000 0.2247913), wk = 0.0019763 k( 254) = ( 0.0000000 0.0000000 0.2129602), wk = 0.0019763 k( 255) = ( 0.0000000 0.0000000 0.2011291), wk = 0.0019763 k( 256) = ( 0.0000000 0.0000000 0.1892980), wk = 0.0019763 k( 257) = ( 0.0000000 0.0000000 0.1774669), wk = 0.0019763 k( 258) = ( 0.0000000 0.0000000 0.1656357), wk = 0.0019763 k( 259) = ( 0.0000000 0.0000000 0.1538046), wk = 0.0019763 k( 260) = ( 0.0000000 0.0000000 0.1419735), wk = 0.0019763 k( 261) = ( 0.0000000 0.0000000 0.1301424), wk = 0.0019763 k( 262) = ( 0.0000000 0.0000000 0.1183112), wk = 0.0019763 k( 263) = ( 0.0000000 0.0000000 0.1064801), wk = 0.0019763 k( 264) = ( 0.0000000 0.0000000 0.0946490), wk = 0.0019763 k( 265) = ( 0.0000000 0.0000000 0.0828179), wk = 0.0019763 k( 266) = ( 0.0000000 0.0000000 0.0709867), wk = 0.0019763 k( 267) = ( 0.0000000 0.0000000 0.0591556), wk = 0.0019763 k( 268) = ( 0.0000000 0.0000000 0.0473245), wk = 0.0019763 k( 269) = ( 0.0000000 0.0000000 0.0354934), wk = 0.0019763 k( 270) = ( 0.0000000 0.0000000 0.0236622), wk = 0.0019763 k( 271) = ( 0.0000000 0.0000000 0.0118311), wk = 0.0019763 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 273) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 274) = ( -0.0094340 0.0070622 0.0000000), wk = 0.0019763 k( 275) = ( -0.0188679 0.0141243 0.0000000), wk = 0.0019763 k( 276) = ( -0.0283019 0.0211865 0.0000000), wk = 0.0019763 k( 277) = ( -0.0377359 0.0282487 0.0000000), wk = 0.0019763 k( 278) = ( -0.0471698 0.0353109 0.0000000), wk = 0.0019763 k( 279) = ( -0.0566038 0.0423730 0.0000000), wk = 0.0019763 k( 280) = ( -0.0660377 0.0494352 0.0000000), wk = 0.0019763 k( 281) = ( -0.0754717 0.0564974 0.0000000), wk = 0.0019763 k( 282) = ( -0.0849057 0.0635596 0.0000000), wk = 0.0019763 k( 283) = ( -0.0943396 0.0706217 0.0000000), wk = 0.0019763 k( 284) = ( -0.1037736 0.0776839 0.0000000), wk = 0.0019763 k( 285) = ( -0.1132076 0.0847461 0.0000000), wk = 0.0019763 k( 286) = ( -0.1226415 0.0918083 0.0000000), wk = 0.0019763 k( 287) = ( -0.1320755 0.0988704 0.0000000), wk = 0.0019763 k( 288) = ( -0.1415094 0.1059326 0.0000000), wk = 0.0019763 k( 289) = ( -0.1509434 0.1129948 0.0000000), wk = 0.0019763 k( 290) = ( -0.1603774 0.1200569 0.0000000), wk = 0.0019763 k( 291) = ( -0.1698113 0.1271191 0.0000000), wk = 0.0019763 k( 292) = ( -0.1792453 0.1341813 0.0000000), wk = 0.0019763 k( 293) = ( -0.1886792 0.1412435 0.0000000), wk = 0.0019763 k( 294) = ( -0.1981132 0.1483056 0.0000000), wk = 0.0019763 k( 295) = ( -0.2075472 0.1553678 0.0000000), wk = 0.0019763 k( 296) = ( -0.2169811 0.1624300 0.0000000), wk = 0.0019763 k( 297) = ( -0.2264151 0.1694922 0.0000000), wk = 0.0019763 k( 298) = ( -0.2358491 0.1765543 0.0000000), wk = 0.0019763 k( 299) = ( -0.2452830 0.1836165 0.0000000), wk = 0.0019763 k( 300) = ( -0.2547170 0.1906787 0.0000000), wk = 0.0019763 k( 301) = ( -0.2641509 0.1977409 0.0000000), wk = 0.0019763 k( 302) = ( -0.2735849 0.2048030 0.0000000), wk = 0.0019763 k( 303) = ( -0.2830189 0.2118652 0.0000000), wk = 0.0019763 k( 304) = ( -0.2924528 0.2189274 0.0000000), wk = 0.0019763 k( 305) = ( -0.3018868 0.2259895 0.0000000), wk = 0.0019763 k( 306) = ( -0.3113207 0.2330517 0.0000000), wk = 0.0019763 k( 307) = ( -0.3207547 0.2401139 0.0000000), wk = 0.0019763 k( 308) = ( -0.3301887 0.2471761 0.0000000), wk = 0.0019763 k( 309) = ( -0.3396226 0.2542382 0.0000000), wk = 0.0019763 k( 310) = ( -0.3490566 0.2613004 0.0000000), wk = 0.0019763 k( 311) = ( -0.3584906 0.2683626 0.0000000), wk = 0.0019763 k( 312) = ( -0.3679245 0.2754248 0.0000000), wk = 0.0019763 k( 313) = ( -0.3773585 0.2824869 0.0000000), wk = 0.0019763 k( 314) = ( -0.3867925 0.2895491 0.0000000), wk = 0.0019763 k( 315) = ( -0.3962264 0.2966113 0.0000000), wk = 0.0019763 k( 316) = ( -0.4056604 0.3036735 0.0000000), wk = 0.0019763 k( 317) = ( -0.4150943 0.3107356 0.0000000), wk = 0.0019763 k( 318) = ( -0.4245283 0.3177978 0.0000000), wk = 0.0019763 k( 319) = ( -0.4339623 0.3248600 0.0000000), wk = 0.0019763 k( 320) = ( -0.4433962 0.3319222 0.0000000), wk = 0.0019763 k( 321) = ( -0.4528302 0.3389843 0.0000000), wk = 0.0019763 k( 322) = ( -0.4622641 0.3460465 0.0000000), wk = 0.0019763 k( 323) = ( -0.4716981 0.3531087 0.0000000), wk = 0.0019763 k( 324) = ( -0.4811321 0.3601708 0.0000000), wk = 0.0019763 k( 325) = ( -0.4905660 0.3672330 0.0000000), wk = 0.0019763 k( 326) = ( -0.5000000 0.3742952 0.0000000), wk = 0.0019763 k( 327) = ( -0.5000000 0.3742952 0.0000000), wk = 0.0019763 k( 328) = ( -0.4931311 0.3834710 -0.0000000), wk = 0.0019763 k( 329) = ( -0.4862621 0.3926469 -0.0000000), wk = 0.0019763 k( 330) = ( -0.4793932 0.4018227 -0.0000000), wk = 0.0019763 k( 331) = ( -0.4725242 0.4109985 -0.0000000), wk = 0.0019763 k( 332) = ( -0.4656553 0.4201744 -0.0000000), wk = 0.0019763 k( 333) = ( -0.4587863 0.4293502 -0.0000000), wk = 0.0019763 k( 334) = ( -0.4519174 0.4385261 -0.0000000), wk = 0.0019763 k( 335) = ( -0.4450484 0.4477019 -0.0000000), wk = 0.0019763 k( 336) = ( -0.4381795 0.4568777 -0.0000000), wk = 0.0019763 k( 337) = ( -0.4313106 0.4660536 -0.0000000), wk = 0.0019763 k( 338) = ( -0.4244416 0.4752294 -0.0000000), wk = 0.0019763 k( 339) = ( -0.4175727 0.4844052 -0.0000000), wk = 0.0019763 k( 340) = ( -0.4107037 0.4935811 -0.0000000), wk = 0.0019763 k( 341) = ( -0.4038348 0.5027569 -0.0000000), wk = 0.0019763 k( 342) = ( -0.3969658 0.5119328 -0.0000000), wk = 0.0019763 k( 343) = ( -0.3900969 0.5211086 -0.0000000), wk = 0.0019763 k( 344) = ( -0.3900969 0.5211086 -0.0000000), wk = 0.0019763 k( 345) = ( -0.3900969 0.5211086 0.0118311), wk = 0.0019763 k( 346) = ( -0.3900969 0.5211086 0.0236622), wk = 0.0019763 k( 347) = ( -0.3900969 0.5211086 0.0354934), wk = 0.0019763 k( 348) = ( -0.3900969 0.5211086 0.0473245), wk = 0.0019763 k( 349) = ( -0.3900969 0.5211086 0.0591556), wk = 0.0019763 k( 350) = ( -0.3900969 0.5211086 0.0709867), wk = 0.0019763 k( 351) = ( -0.3900969 0.5211086 0.0828179), wk = 0.0019763 k( 352) = ( -0.3900969 0.5211086 0.0946490), wk = 0.0019763 k( 353) = ( -0.3900969 0.5211086 0.1064801), wk = 0.0019763 k( 354) = ( -0.3900969 0.5211086 0.1183112), wk = 0.0019763 k( 355) = ( -0.3900969 0.5211086 0.1301424), wk = 0.0019763 k( 356) = ( -0.3900969 0.5211086 0.1419735), wk = 0.0019763 k( 357) = ( -0.3900969 0.5211086 0.1538046), wk = 0.0019763 k( 358) = ( -0.3900969 0.5211086 0.1656357), wk = 0.0019763 k( 359) = ( -0.3900969 0.5211086 0.1774669), wk = 0.0019763 k( 360) = ( -0.3900969 0.5211086 0.1892980), wk = 0.0019763 k( 361) = ( -0.3900969 0.5211086 0.2011291), wk = 0.0019763 k( 362) = ( -0.3900969 0.5211086 0.2129602), wk = 0.0019763 k( 363) = ( -0.3900969 0.5211086 0.2247913), wk = 0.0019763 k( 364) = ( -0.3900969 0.5211086 0.2366225), wk = 0.0019763 k( 365) = ( -0.3900969 0.5211086 0.2484536), wk = 0.0019763 k( 366) = ( -0.3900969 0.5211086 0.2602847), wk = 0.0019763 k( 367) = ( -0.3900969 0.5211086 0.2721158), wk = 0.0019763 k( 368) = ( -0.3900969 0.5211086 0.2839470), wk = 0.0019763 k( 369) = ( -0.3900969 0.5211086 0.2957781), wk = 0.0019763 k( 370) = ( -0.3900969 0.5211086 0.3076092), wk = 0.0019763 k( 371) = ( -0.3900969 0.5211086 0.3194403), wk = 0.0019763 k( 372) = ( -0.3900969 0.5211086 0.3312715), wk = 0.0019763 k( 373) = ( -0.3900969 0.5211086 0.3431026), wk = 0.0019763 k( 374) = ( -0.3900969 0.5211086 0.3549337), wk = 0.0019763 k( 375) = ( -0.3900969 0.5211086 0.3667648), wk = 0.0019763 k( 376) = ( -0.3900969 0.5211086 0.3785960), wk = 0.0019763 k( 377) = ( -0.3900969 0.5211086 0.3904271), wk = 0.0019763 k( 378) = ( -0.3900969 0.5211086 0.4022582), wk = 0.0019763 k( 379) = ( -0.3900969 0.5211086 0.4140893), wk = 0.0019763 k( 380) = ( -0.3900969 0.5211086 0.4259204), wk = 0.0019763 k( 381) = ( -0.3900969 0.5211086 0.4377516), wk = 0.0019763 k( 382) = ( -0.3900969 0.5211086 0.4495827), wk = 0.0019763 k( 383) = ( -0.3900969 0.5211086 0.4614138), wk = 0.0019763 k( 384) = ( -0.3900969 0.5211086 0.4732449), wk = 0.0019763 k( 385) = ( -0.3900969 0.5211086 0.4850761), wk = 0.0019763 k( 386) = ( -0.3900969 0.5211086 0.4969072), wk = 0.0019763 k( 387) = ( -0.3900969 0.5211086 0.5087383), wk = 0.0019763 k( 388) = ( -0.3900969 0.5211086 0.5205694), wk = 0.0019763 k( 389) = ( -0.3900969 0.5211086 0.5324006), wk = 0.0019763 k( 390) = ( -0.3900969 0.5211086 0.5324006), wk = 0.0019763 k( 391) = ( -0.3969658 0.5119328 0.5324006), wk = 0.0019763 k( 392) = ( -0.4038348 0.5027569 0.5324006), wk = 0.0019763 k( 393) = ( -0.4107037 0.4935811 0.5324006), wk = 0.0019763 k( 394) = ( -0.4175727 0.4844052 0.5324006), wk = 0.0019763 k( 395) = ( -0.4244416 0.4752294 0.5324006), wk = 0.0019763 k( 396) = ( -0.4313106 0.4660536 0.5324006), wk = 0.0019763 k( 397) = ( -0.4381795 0.4568777 0.5324006), wk = 0.0019763 k( 398) = ( -0.4450484 0.4477019 0.5324006), wk = 0.0019763 k( 399) = ( -0.4519174 0.4385261 0.5324006), wk = 0.0019763 k( 400) = ( -0.4587863 0.4293502 0.5324006), wk = 0.0019763 k( 401) = ( -0.4656553 0.4201744 0.5324006), wk = 0.0019763 k( 402) = ( -0.4725242 0.4109985 0.5324006), wk = 0.0019763 k( 403) = ( -0.4793932 0.4018227 0.5324006), wk = 0.0019763 k( 404) = ( -0.4862621 0.3926469 0.5324006), wk = 0.0019763 k( 405) = ( -0.4931311 0.3834710 0.5324006), wk = 0.0019763 k( 406) = ( -0.5000000 0.3742952 0.5324006), wk = 0.0019763 k( 407) = ( -0.5000000 0.3742952 0.5324006), wk = 0.0019763 k( 408) = ( -0.5000000 0.3742952 0.5205694), wk = 0.0019763 k( 409) = ( -0.5000000 0.3742952 0.5087383), wk = 0.0019763 k( 410) = ( -0.5000000 0.3742952 0.4969072), wk = 0.0019763 k( 411) = ( -0.5000000 0.3742952 0.4850761), wk = 0.0019763 k( 412) = ( -0.5000000 0.3742952 0.4732449), wk = 0.0019763 k( 413) = ( -0.5000000 0.3742952 0.4614138), wk = 0.0019763 k( 414) = ( -0.5000000 0.3742952 0.4495827), wk = 0.0019763 k( 415) = ( -0.5000000 0.3742952 0.4377516), wk = 0.0019763 k( 416) = ( -0.5000000 0.3742952 0.4259204), wk = 0.0019763 k( 417) = ( -0.5000000 0.3742952 0.4140893), wk = 0.0019763 k( 418) = ( -0.5000000 0.3742952 0.4022582), wk = 0.0019763 k( 419) = ( -0.5000000 0.3742952 0.3904271), wk = 0.0019763 k( 420) = ( -0.5000000 0.3742952 0.3785960), wk = 0.0019763 k( 421) = ( -0.5000000 0.3742952 0.3667648), wk = 0.0019763 k( 422) = ( -0.5000000 0.3742952 0.3549337), wk = 0.0019763 k( 423) = ( -0.5000000 0.3742952 0.3431026), wk = 0.0019763 k( 424) = ( -0.5000000 0.3742952 0.3312715), wk = 0.0019763 k( 425) = ( -0.5000000 0.3742952 0.3194403), wk = 0.0019763 k( 426) = ( -0.5000000 0.3742952 0.3076092), wk = 0.0019763 k( 427) = ( -0.5000000 0.3742952 0.2957781), wk = 0.0019763 k( 428) = ( -0.5000000 0.3742952 0.2839470), wk = 0.0019763 k( 429) = ( -0.5000000 0.3742952 0.2721158), wk = 0.0019763 k( 430) = ( -0.5000000 0.3742952 0.2602847), wk = 0.0019763 k( 431) = ( -0.5000000 0.3742952 0.2484536), wk = 0.0019763 k( 432) = ( -0.5000000 0.3742952 0.2366225), wk = 0.0019763 k( 433) = ( -0.5000000 0.3742952 0.2247913), wk = 0.0019763 k( 434) = ( -0.5000000 0.3742952 0.2129602), wk = 0.0019763 k( 435) = ( -0.5000000 0.3742952 0.2011291), wk = 0.0019763 k( 436) = ( -0.5000000 0.3742952 0.1892980), wk = 0.0019763 k( 437) = ( -0.5000000 0.3742952 0.1774669), wk = 0.0019763 k( 438) = ( -0.5000000 0.3742952 0.1656357), wk = 0.0019763 k( 439) = ( -0.5000000 0.3742952 0.1538046), wk = 0.0019763 k( 440) = ( -0.5000000 0.3742952 0.1419735), wk = 0.0019763 k( 441) = ( -0.5000000 0.3742952 0.1301424), wk = 0.0019763 k( 442) = ( -0.5000000 0.3742952 0.1183112), wk = 0.0019763 k( 443) = ( -0.5000000 0.3742952 0.1064801), wk = 0.0019763 k( 444) = ( -0.5000000 0.3742952 0.0946490), wk = 0.0019763 k( 445) = ( -0.5000000 0.3742952 0.0828179), wk = 0.0019763 k( 446) = ( -0.5000000 0.3742952 0.0709867), wk = 0.0019763 k( 447) = ( -0.5000000 0.3742952 0.0591556), wk = 0.0019763 k( 448) = ( -0.5000000 0.3742952 0.0473245), wk = 0.0019763 k( 449) = ( -0.5000000 0.3742952 0.0354934), wk = 0.0019763 k( 450) = ( -0.5000000 0.3742952 0.0236622), wk = 0.0019763 k( 451) = ( -0.5000000 0.3742952 0.0118311), wk = 0.0019763 k( 452) = ( -0.5000000 0.3742952 0.0000000), wk = 0.0019763 k( 453) = ( 0.0000000 0.0000000 0.5324006), wk = 0.0019763 k( 454) = ( -0.0094340 0.0070622 0.5324006), wk = 0.0019763 k( 455) = ( -0.0188679 0.0141243 0.5324006), wk = 0.0019763 k( 456) = ( -0.0283019 0.0211865 0.5324006), wk = 0.0019763 k( 457) = ( -0.0377359 0.0282487 0.5324006), wk = 0.0019763 k( 458) = ( -0.0471698 0.0353109 0.5324006), wk = 0.0019763 k( 459) = ( -0.0566038 0.0423730 0.5324006), wk = 0.0019763 k( 460) = ( -0.0660377 0.0494352 0.5324006), wk = 0.0019763 k( 461) = ( -0.0754717 0.0564974 0.5324006), wk = 0.0019763 k( 462) = ( -0.0849057 0.0635596 0.5324006), wk = 0.0019763 k( 463) = ( -0.0943396 0.0706217 0.5324006), wk = 0.0019763 k( 464) = ( -0.1037736 0.0776839 0.5324006), wk = 0.0019763 k( 465) = ( -0.1132076 0.0847461 0.5324006), wk = 0.0019763 k( 466) = ( -0.1226415 0.0918083 0.5324006), wk = 0.0019763 k( 467) = ( -0.1320755 0.0988704 0.5324006), wk = 0.0019763 k( 468) = ( -0.1415094 0.1059326 0.5324006), wk = 0.0019763 k( 469) = ( -0.1509434 0.1129948 0.5324006), wk = 0.0019763 k( 470) = ( -0.1603774 0.1200569 0.5324006), wk = 0.0019763 k( 471) = ( -0.1698113 0.1271191 0.5324006), wk = 0.0019763 k( 472) = ( -0.1792453 0.1341813 0.5324006), wk = 0.0019763 k( 473) = ( -0.1886792 0.1412435 0.5324006), wk = 0.0019763 k( 474) = ( -0.1981132 0.1483056 0.5324006), wk = 0.0019763 k( 475) = ( -0.2075472 0.1553678 0.5324006), wk = 0.0019763 k( 476) = ( -0.2169811 0.1624300 0.5324006), wk = 0.0019763 k( 477) = ( -0.2264151 0.1694922 0.5324006), wk = 0.0019763 k( 478) = ( -0.2358491 0.1765543 0.5324006), wk = 0.0019763 k( 479) = ( -0.2452830 0.1836165 0.5324006), wk = 0.0019763 k( 480) = ( -0.2547170 0.1906787 0.5324006), wk = 0.0019763 k( 481) = ( -0.2641509 0.1977409 0.5324006), wk = 0.0019763 k( 482) = ( -0.2735849 0.2048030 0.5324006), wk = 0.0019763 k( 483) = ( -0.2830189 0.2118652 0.5324006), wk = 0.0019763 k( 484) = ( -0.2924528 0.2189274 0.5324006), wk = 0.0019763 k( 485) = ( -0.3018868 0.2259895 0.5324006), wk = 0.0019763 k( 486) = ( -0.3113207 0.2330517 0.5324006), wk = 0.0019763 k( 487) = ( -0.3207547 0.2401139 0.5324006), wk = 0.0019763 k( 488) = ( -0.3301887 0.2471761 0.5324006), wk = 0.0019763 k( 489) = ( -0.3396226 0.2542382 0.5324006), wk = 0.0019763 k( 490) = ( -0.3490566 0.2613004 0.5324006), wk = 0.0019763 k( 491) = ( -0.3584906 0.2683626 0.5324006), wk = 0.0019763 k( 492) = ( -0.3679245 0.2754248 0.5324006), wk = 0.0019763 k( 493) = ( -0.3773585 0.2824869 0.5324006), wk = 0.0019763 k( 494) = ( -0.3867925 0.2895491 0.5324006), wk = 0.0019763 k( 495) = ( -0.3962264 0.2966113 0.5324006), wk = 0.0019763 k( 496) = ( -0.4056604 0.3036735 0.5324006), wk = 0.0019763 k( 497) = ( -0.4150943 0.3107356 0.5324006), wk = 0.0019763 k( 498) = ( -0.4245283 0.3177978 0.5324006), wk = 0.0019763 k( 499) = ( -0.4339623 0.3248600 0.5324006), wk = 0.0019763 k( 500) = ( -0.4433962 0.3319222 0.5324006), wk = 0.0019763 k( 501) = ( -0.4528302 0.3389843 0.5324006), wk = 0.0019763 k( 502) = ( -0.4622641 0.3460465 0.5324006), wk = 0.0019763 k( 503) = ( -0.4716981 0.3531087 0.5324006), wk = 0.0019763 k( 504) = ( -0.4811321 0.3601708 0.5324006), wk = 0.0019763 k( 505) = ( -0.4905660 0.3672330 0.5324006), wk = 0.0019763 k( 506) = ( -0.5000000 0.3742952 0.5324006), wk = 0.0019763 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 2) = ( 0.0070927 0.0070927 0.0000000), wk = 0.0019763 k( 3) = ( 0.0141853 0.0141853 0.0000000), wk = 0.0019763 k( 4) = ( 0.0212780 0.0212780 0.0000000), wk = 0.0019763 k( 5) = ( 0.0283707 0.0283707 0.0000000), wk = 0.0019763 k( 6) = ( 0.0354633 0.0354634 -0.0000000), wk = 0.0019763 k( 7) = ( 0.0425560 0.0425560 0.0000000), wk = 0.0019763 k( 8) = ( 0.0496487 0.0496487 0.0000000), wk = 0.0019763 k( 9) = ( 0.0567414 0.0567414 0.0000000), wk = 0.0019763 k( 10) = ( 0.0638340 0.0638340 -0.0000000), wk = 0.0019763 k( 11) = ( 0.0709267 0.0709267 0.0000000), wk = 0.0019763 k( 12) = ( 0.0780194 0.0780194 0.0000000), wk = 0.0019763 k( 13) = ( 0.0851120 0.0851120 -0.0000000), wk = 0.0019763 k( 14) = ( 0.0922047 0.0922047 0.0000000), wk = 0.0019763 k( 15) = ( 0.0992974 0.0992974 -0.0000000), wk = 0.0019763 k( 16) = ( 0.1063901 0.1063901 0.0000000), wk = 0.0019763 k( 17) = ( 0.1134827 0.1134827 0.0000000), wk = 0.0019763 k( 18) = ( 0.1205754 0.1205754 0.0000000), wk = 0.0019763 k( 19) = ( 0.1276681 0.1276681 -0.0000000), wk = 0.0019763 k( 20) = ( 0.1347607 0.1347607 -0.0000000), wk = 0.0019763 k( 21) = ( 0.1418534 0.1418534 0.0000000), wk = 0.0019763 k( 22) = ( 0.1489461 0.1489461 0.0000000), wk = 0.0019763 k( 23) = ( 0.1560388 0.1560388 0.0000000), wk = 0.0019763 k( 24) = ( 0.1631314 0.1631314 0.0000000), wk = 0.0019763 k( 25) = ( 0.1702241 0.1702241 -0.0000000), wk = 0.0019763 k( 26) = ( 0.1773168 0.1773168 0.0000000), wk = 0.0019763 k( 27) = ( 0.1844094 0.1844094 0.0000000), wk = 0.0019763 k( 28) = ( 0.1915021 0.1915021 0.0000000), wk = 0.0019763 k( 29) = ( 0.1985948 0.1985948 -0.0000000), wk = 0.0019763 k( 30) = ( 0.2056874 0.2056874 -0.0000000), wk = 0.0019763 k( 31) = ( 0.2127801 0.2127801 0.0000000), wk = 0.0019763 k( 32) = ( 0.2198728 0.2198728 0.0000000), wk = 0.0019763 k( 33) = ( 0.2269655 0.2269655 0.0000000), wk = 0.0019763 k( 34) = ( 0.2340581 0.2340581 -0.0000000), wk = 0.0019763 k( 35) = ( 0.2411508 0.2411508 0.0000000), wk = 0.0019763 k( 36) = ( 0.2482435 0.2482435 0.0000000), wk = 0.0019763 k( 37) = ( 0.2553361 0.2553361 0.0000000), wk = 0.0019763 k( 38) = ( 0.2624288 0.2624288 0.0000000), wk = 0.0019763 k( 39) = ( 0.2695215 0.2695215 0.0000000), wk = 0.0019763 k( 40) = ( 0.2766142 0.2766142 0.0000000), wk = 0.0019763 k( 41) = ( 0.2837068 0.2837068 0.0000000), wk = 0.0019763 k( 42) = ( 0.2907995 0.2907995 -0.0000000), wk = 0.0019763 k( 43) = ( 0.2978922 0.2978922 0.0000000), wk = 0.0019763 k( 44) = ( 0.3049848 0.3049848 0.0000000), wk = 0.0019763 k( 45) = ( 0.3120775 0.3120775 0.0000000), wk = 0.0019763 k( 46) = ( 0.3191702 0.3191702 0.0000000), wk = 0.0019763 k( 47) = ( 0.3262628 0.3262628 -0.0000000), wk = 0.0019763 k( 48) = ( 0.3333555 0.3333555 0.0000000), wk = 0.0019763 k( 49) = ( 0.3404482 0.3404482 0.0000000), wk = 0.0019763 k( 50) = ( 0.3475409 0.3475409 0.0000000), wk = 0.0019763 k( 51) = ( 0.3546335 0.3546335 0.0000000), wk = 0.0019763 k( 52) = ( 0.3617262 0.3617262 -0.0000000), wk = 0.0019763 k( 53) = ( 0.3688189 0.3688189 0.0000000), wk = 0.0019763 k( 54) = ( 0.3759115 0.3759116 0.0000000), wk = 0.0019763 k( 55) = ( 0.3830042 0.3830042 0.0000000), wk = 0.0019763 k( 56) = ( 0.3900969 0.3900969 0.0000000), wk = 0.0019763 k( 57) = ( 0.3900969 0.3900969 0.0000000), wk = 0.0019763 k( 58) = ( 0.3782758 0.3934273 0.0000000), wk = 0.0019763 k( 59) = ( 0.3664546 0.3967577 0.0000000), wk = 0.0019763 k( 60) = ( 0.3546335 0.4000881 -0.0000000), wk = 0.0019763 k( 61) = ( 0.3428124 0.4034185 0.0000000), wk = 0.0019763 k( 62) = ( 0.3309913 0.4067489 0.0000000), wk = 0.0019763 k( 63) = ( 0.3191702 0.4100793 0.0000000), wk = 0.0019763 k( 64) = ( 0.3073491 0.4134097 0.0000000), wk = 0.0019763 k( 65) = ( 0.2955279 0.4167401 0.0000000), wk = 0.0019763 k( 66) = ( 0.2837068 0.4200705 -0.0000000), wk = 0.0019763 k( 67) = ( 0.2718857 0.4234009 0.0000000), wk = 0.0019763 k( 68) = ( 0.2600646 0.4267313 0.0000000), wk = 0.0019763 k( 69) = ( 0.2482435 0.4300617 0.0000000), wk = 0.0019763 k( 70) = ( 0.2364224 0.4333921 0.0000000), wk = 0.0019763 k( 71) = ( 0.2246012 0.4367225 0.0000000), wk = 0.0019763 k( 72) = ( 0.2127801 0.4400528 -0.0000000), wk = 0.0019763 k( 73) = ( 0.2009590 0.4433833 0.0000000), wk = 0.0019763 k( 74) = ( 0.1891379 0.4467136 0.0000000), wk = 0.0019763 k( 75) = ( 0.1773168 0.4500440 0.0000000), wk = 0.0019763 k( 76) = ( 0.1654956 0.4533744 0.0000000), wk = 0.0019763 k( 77) = ( 0.1536745 0.4567048 0.0000000), wk = 0.0019763 k( 78) = ( 0.1418534 0.4600352 0.0000000), wk = 0.0019763 k( 79) = ( 0.1300323 0.4633656 0.0000000), wk = 0.0019763 k( 80) = ( 0.1182112 0.4666960 0.0000000), wk = 0.0019763 k( 81) = ( 0.1063901 0.4700264 0.0000000), wk = 0.0019763 k( 82) = ( 0.0945689 0.4733568 0.0000000), wk = 0.0019763 k( 83) = ( 0.0827478 0.4766872 0.0000000), wk = 0.0019763 k( 84) = ( 0.0709267 0.4800176 0.0000000), wk = 0.0019763 k( 85) = ( 0.0591056 0.4833480 0.0000000), wk = 0.0019763 k( 86) = ( 0.0472845 0.4866784 0.0000000), wk = 0.0019763 k( 87) = ( 0.0354633 0.4900088 0.0000000), wk = 0.0019763 k( 88) = ( 0.0236422 0.4933392 0.0000000), wk = 0.0019763 k( 89) = ( 0.0118211 0.4966696 -0.0000000), wk = 0.0019763 k( 90) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019763 k( 91) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019763 k( 92) = ( 0.0000000 0.5000000 0.0111111), wk = 0.0019763 k( 93) = ( 0.0000000 0.5000000 0.0222222), wk = 0.0019763 k( 94) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0019763 k( 95) = ( 0.0000000 0.5000000 0.0444444), wk = 0.0019763 k( 96) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0019763 k( 97) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0019763 k( 98) = ( 0.0000000 0.5000000 0.0777778), wk = 0.0019763 k( 99) = ( 0.0000000 0.5000000 0.0888889), wk = 0.0019763 k( 100) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0019763 k( 101) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0019763 k( 102) = ( 0.0000000 0.5000000 0.1222222), wk = 0.0019763 k( 103) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0019763 k( 104) = ( 0.0000000 0.5000000 0.1444444), wk = 0.0019763 k( 105) = ( 0.0000000 0.5000000 0.1555556), wk = 0.0019763 k( 106) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0019763 k( 107) = ( 0.0000000 0.5000000 0.1777778), wk = 0.0019763 k( 108) = ( 0.0000000 0.5000000 0.1888889), wk = 0.0019763 k( 109) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0019763 k( 110) = ( 0.0000000 0.5000000 0.2111111), wk = 0.0019763 k( 111) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0019763 k( 112) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0019763 k( 113) = ( 0.0000000 0.5000000 0.2444444), wk = 0.0019763 k( 114) = ( 0.0000000 0.5000000 0.2555556), wk = 0.0019763 k( 115) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0019763 k( 116) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0019763 k( 117) = ( 0.0000000 0.5000000 0.2888889), wk = 0.0019763 k( 118) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0019763 k( 119) = ( 0.0000000 0.5000000 0.3111111), wk = 0.0019763 k( 120) = ( 0.0000000 0.5000000 0.3222222), wk = 0.0019763 k( 121) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0019763 k( 122) = ( 0.0000000 0.5000000 0.3444444), wk = 0.0019763 k( 123) = ( 0.0000000 0.5000000 0.3555556), wk = 0.0019763 k( 124) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0019763 k( 125) = ( 0.0000000 0.5000000 0.3777778), wk = 0.0019763 k( 126) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0019763 k( 127) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0019763 k( 128) = ( 0.0000000 0.5000000 0.4111111), wk = 0.0019763 k( 129) = ( 0.0000000 0.5000000 0.4222222), wk = 0.0019763 k( 130) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0019763 k( 131) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0019763 k( 132) = ( 0.0000000 0.5000000 0.4555556), wk = 0.0019763 k( 133) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0019763 k( 134) = ( 0.0000000 0.5000000 0.4777778), wk = 0.0019763 k( 135) = ( 0.0000000 0.5000000 0.4888889), wk = 0.0019763 k( 136) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019763 k( 137) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019763 k( 138) = ( 0.0118211 0.4966696 0.5000000), wk = 0.0019763 k( 139) = ( 0.0236422 0.4933392 0.5000000), wk = 0.0019763 k( 140) = ( 0.0354633 0.4900088 0.5000000), wk = 0.0019763 k( 141) = ( 0.0472845 0.4866784 0.5000000), wk = 0.0019763 k( 142) = ( 0.0591056 0.4833480 0.5000000), wk = 0.0019763 k( 143) = ( 0.0709267 0.4800176 0.5000000), wk = 0.0019763 k( 144) = ( 0.0827478 0.4766872 0.5000000), wk = 0.0019763 k( 145) = ( 0.0945689 0.4733568 0.5000000), wk = 0.0019763 k( 146) = ( 0.1063901 0.4700264 0.5000000), wk = 0.0019763 k( 147) = ( 0.1182112 0.4666960 0.5000000), wk = 0.0019763 k( 148) = ( 0.1300323 0.4633656 0.5000000), wk = 0.0019763 k( 149) = ( 0.1418534 0.4600352 0.5000000), wk = 0.0019763 k( 150) = ( 0.1536745 0.4567048 0.5000000), wk = 0.0019763 k( 151) = ( 0.1654956 0.4533744 0.5000000), wk = 0.0019763 k( 152) = ( 0.1773168 0.4500440 0.5000000), wk = 0.0019763 k( 153) = ( 0.1891379 0.4467136 0.5000000), wk = 0.0019763 k( 154) = ( 0.2009590 0.4433833 0.5000000), wk = 0.0019763 k( 155) = ( 0.2127801 0.4400528 0.5000000), wk = 0.0019763 k( 156) = ( 0.2246012 0.4367225 0.5000000), wk = 0.0019763 k( 157) = ( 0.2364224 0.4333921 0.5000000), wk = 0.0019763 k( 158) = ( 0.2482435 0.4300617 0.5000000), wk = 0.0019763 k( 159) = ( 0.2600646 0.4267313 0.5000000), wk = 0.0019763 k( 160) = ( 0.2718857 0.4234009 0.5000000), wk = 0.0019763 k( 161) = ( 0.2837068 0.4200705 0.5000000), wk = 0.0019763 k( 162) = ( 0.2955279 0.4167401 0.5000000), wk = 0.0019763 k( 163) = ( 0.3073491 0.4134097 0.5000000), wk = 0.0019763 k( 164) = ( 0.3191702 0.4100793 0.5000000), wk = 0.0019763 k( 165) = ( 0.3309913 0.4067489 0.5000000), wk = 0.0019763 k( 166) = ( 0.3428124 0.4034185 0.5000000), wk = 0.0019763 k( 167) = ( 0.3546335 0.4000881 0.5000000), wk = 0.0019763 k( 168) = ( 0.3664546 0.3967577 0.5000000), wk = 0.0019763 k( 169) = ( 0.3782758 0.3934273 0.5000000), wk = 0.0019763 k( 170) = ( 0.3900969 0.3900969 0.5000000), wk = 0.0019763 k( 171) = ( 0.3900969 0.3900969 0.5000000), wk = 0.0019763 k( 172) = ( 0.3830042 0.3830042 0.5000000), wk = 0.0019763 k( 173) = ( 0.3759115 0.3759116 0.5000000), wk = 0.0019763 k( 174) = ( 0.3688189 0.3688189 0.5000000), wk = 0.0019763 k( 175) = ( 0.3617262 0.3617262 0.5000000), wk = 0.0019763 k( 176) = ( 0.3546335 0.3546335 0.5000000), wk = 0.0019763 k( 177) = ( 0.3475409 0.3475409 0.5000000), wk = 0.0019763 k( 178) = ( 0.3404482 0.3404482 0.5000000), wk = 0.0019763 k( 179) = ( 0.3333555 0.3333555 0.5000000), wk = 0.0019763 k( 180) = ( 0.3262628 0.3262628 0.5000000), wk = 0.0019763 k( 181) = ( 0.3191702 0.3191702 0.5000000), wk = 0.0019763 k( 182) = ( 0.3120775 0.3120775 0.5000000), wk = 0.0019763 k( 183) = ( 0.3049848 0.3049848 0.5000000), wk = 0.0019763 k( 184) = ( 0.2978922 0.2978922 0.5000000), wk = 0.0019763 k( 185) = ( 0.2907995 0.2907995 0.5000000), wk = 0.0019763 k( 186) = ( 0.2837068 0.2837068 0.5000000), wk = 0.0019763 k( 187) = ( 0.2766142 0.2766142 0.5000000), wk = 0.0019763 k( 188) = ( 0.2695215 0.2695215 0.5000000), wk = 0.0019763 k( 189) = ( 0.2624288 0.2624288 0.5000000), wk = 0.0019763 k( 190) = ( 0.2553361 0.2553361 0.5000000), wk = 0.0019763 k( 191) = ( 0.2482435 0.2482435 0.5000000), wk = 0.0019763 k( 192) = ( 0.2411508 0.2411508 0.5000000), wk = 0.0019763 k( 193) = ( 0.2340581 0.2340581 0.5000000), wk = 0.0019763 k( 194) = ( 0.2269655 0.2269655 0.5000000), wk = 0.0019763 k( 195) = ( 0.2198728 0.2198728 0.5000000), wk = 0.0019763 k( 196) = ( 0.2127801 0.2127801 0.5000000), wk = 0.0019763 k( 197) = ( 0.2056874 0.2056874 0.5000000), wk = 0.0019763 k( 198) = ( 0.1985948 0.1985948 0.5000000), wk = 0.0019763 k( 199) = ( 0.1915021 0.1915021 0.5000000), wk = 0.0019763 k( 200) = ( 0.1844094 0.1844094 0.5000000), wk = 0.0019763 k( 201) = ( 0.1773168 0.1773168 0.5000000), wk = 0.0019763 k( 202) = ( 0.1702241 0.1702241 0.5000000), wk = 0.0019763 k( 203) = ( 0.1631314 0.1631314 0.5000000), wk = 0.0019763 k( 204) = ( 0.1560388 0.1560388 0.5000000), wk = 0.0019763 k( 205) = ( 0.1489461 0.1489461 0.5000000), wk = 0.0019763 k( 206) = ( 0.1418534 0.1418534 0.5000000), wk = 0.0019763 k( 207) = ( 0.1347607 0.1347607 0.5000000), wk = 0.0019763 k( 208) = ( 0.1276681 0.1276681 0.5000000), wk = 0.0019763 k( 209) = ( 0.1205754 0.1205754 0.5000000), wk = 0.0019763 k( 210) = ( 0.1134827 0.1134827 0.5000000), wk = 0.0019763 k( 211) = ( 0.1063901 0.1063901 0.5000000), wk = 0.0019763 k( 212) = ( 0.0992974 0.0992974 0.5000000), wk = 0.0019763 k( 213) = ( 0.0922047 0.0922047 0.5000000), wk = 0.0019763 k( 214) = ( 0.0851120 0.0851120 0.5000000), wk = 0.0019763 k( 215) = ( 0.0780194 0.0780194 0.5000000), wk = 0.0019763 k( 216) = ( 0.0709267 0.0709267 0.5000000), wk = 0.0019763 k( 217) = ( 0.0638340 0.0638340 0.5000000), wk = 0.0019763 k( 218) = ( 0.0567414 0.0567414 0.5000000), wk = 0.0019763 k( 219) = ( 0.0496487 0.0496487 0.5000000), wk = 0.0019763 k( 220) = ( 0.0425560 0.0425560 0.5000000), wk = 0.0019763 k( 221) = ( 0.0354633 0.0354634 0.5000000), wk = 0.0019763 k( 222) = ( 0.0283707 0.0283707 0.5000000), wk = 0.0019763 k( 223) = ( 0.0212780 0.0212780 0.5000000), wk = 0.0019763 k( 224) = ( 0.0141853 0.0141853 0.5000000), wk = 0.0019763 k( 225) = ( 0.0070927 0.0070927 0.5000000), wk = 0.0019763 k( 226) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019763 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019763 k( 228) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0019763 k( 229) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0019763 k( 230) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0019763 k( 231) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0019763 k( 232) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0019763 k( 233) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0019763 k( 234) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0019763 k( 235) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0019763 k( 236) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0019763 k( 237) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0019763 k( 238) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0019763 k( 239) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0019763 k( 240) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0019763 k( 241) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0019763 k( 242) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0019763 k( 243) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0019763 k( 244) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0019763 k( 245) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0019763 k( 246) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0019763 k( 247) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0019763 k( 248) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0019763 k( 249) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0019763 k( 250) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0019763 k( 251) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0019763 k( 252) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0019763 k( 253) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0019763 k( 254) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0019763 k( 255) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0019763 k( 256) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0019763 k( 257) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0019763 k( 258) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0019763 k( 259) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0019763 k( 260) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0019763 k( 261) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0019763 k( 262) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0019763 k( 263) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0019763 k( 264) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0019763 k( 265) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0019763 k( 266) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0019763 k( 267) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0019763 k( 268) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0019763 k( 269) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0019763 k( 270) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0019763 k( 271) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0019763 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 273) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 274) = ( -0.0094340 0.0094340 0.0000000), wk = 0.0019763 k( 275) = ( -0.0188679 0.0188679 0.0000000), wk = 0.0019763 k( 276) = ( -0.0283019 0.0283019 0.0000000), wk = 0.0019763 k( 277) = ( -0.0377359 0.0377359 0.0000000), wk = 0.0019763 k( 278) = ( -0.0471698 0.0471698 0.0000000), wk = 0.0019763 k( 279) = ( -0.0566038 0.0566038 0.0000000), wk = 0.0019763 k( 280) = ( -0.0660377 0.0660377 0.0000000), wk = 0.0019763 k( 281) = ( -0.0754717 0.0754717 0.0000000), wk = 0.0019763 k( 282) = ( -0.0849057 0.0849057 0.0000000), wk = 0.0019763 k( 283) = ( -0.0943396 0.0943396 0.0000000), wk = 0.0019763 k( 284) = ( -0.1037736 0.1037736 0.0000000), wk = 0.0019763 k( 285) = ( -0.1132076 0.1132075 0.0000000), wk = 0.0019763 k( 286) = ( -0.1226415 0.1226415 -0.0000000), wk = 0.0019763 k( 287) = ( -0.1320755 0.1320755 0.0000000), wk = 0.0019763 k( 288) = ( -0.1415094 0.1415094 0.0000000), wk = 0.0019763 k( 289) = ( -0.1509434 0.1509434 0.0000000), wk = 0.0019763 k( 290) = ( -0.1603774 0.1603774 0.0000000), wk = 0.0019763 k( 291) = ( -0.1698113 0.1698113 0.0000000), wk = 0.0019763 k( 292) = ( -0.1792453 0.1792453 0.0000000), wk = 0.0019763 k( 293) = ( -0.1886792 0.1886793 0.0000000), wk = 0.0019763 k( 294) = ( -0.1981132 0.1981132 0.0000000), wk = 0.0019763 k( 295) = ( -0.2075472 0.2075472 0.0000000), wk = 0.0019763 k( 296) = ( -0.2169811 0.2169811 0.0000000), wk = 0.0019763 k( 297) = ( -0.2264151 0.2264151 0.0000000), wk = 0.0019763 k( 298) = ( -0.2358491 0.2358491 0.0000000), wk = 0.0019763 k( 299) = ( -0.2452830 0.2452830 -0.0000000), wk = 0.0019763 k( 300) = ( -0.2547170 0.2547170 0.0000000), wk = 0.0019763 k( 301) = ( -0.2641509 0.2641509 0.0000000), wk = 0.0019763 k( 302) = ( -0.2735849 0.2735849 0.0000000), wk = 0.0019763 k( 303) = ( -0.2830189 0.2830189 0.0000000), wk = 0.0019763 k( 304) = ( -0.2924528 0.2924528 0.0000000), wk = 0.0019763 k( 305) = ( -0.3018868 0.3018868 0.0000000), wk = 0.0019763 k( 306) = ( -0.3113207 0.3113207 0.0000000), wk = 0.0019763 k( 307) = ( -0.3207547 0.3207547 0.0000000), wk = 0.0019763 k( 308) = ( -0.3301887 0.3301887 0.0000000), wk = 0.0019763 k( 309) = ( -0.3396226 0.3396226 0.0000000), wk = 0.0019763 k( 310) = ( -0.3490566 0.3490566 0.0000000), wk = 0.0019763 k( 311) = ( -0.3584906 0.3584906 0.0000000), wk = 0.0019763 k( 312) = ( -0.3679245 0.3679245 0.0000000), wk = 0.0019763 k( 313) = ( -0.3773585 0.3773585 0.0000000), wk = 0.0019763 k( 314) = ( -0.3867925 0.3867925 0.0000000), wk = 0.0019763 k( 315) = ( -0.3962264 0.3962264 0.0000000), wk = 0.0019763 k( 316) = ( -0.4056604 0.4056604 0.0000000), wk = 0.0019763 k( 317) = ( -0.4150943 0.4150943 0.0000000), wk = 0.0019763 k( 318) = ( -0.4245283 0.4245283 0.0000000), wk = 0.0019763 k( 319) = ( -0.4339623 0.4339623 0.0000000), wk = 0.0019763 k( 320) = ( -0.4433962 0.4433962 0.0000000), wk = 0.0019763 k( 321) = ( -0.4528302 0.4528302 0.0000000), wk = 0.0019763 k( 322) = ( -0.4622641 0.4622641 0.0000000), wk = 0.0019763 k( 323) = ( -0.4716981 0.4716981 0.0000000), wk = 0.0019763 k( 324) = ( -0.4811321 0.4811321 0.0000000), wk = 0.0019763 k( 325) = ( -0.4905660 0.4905660 -0.0000000), wk = 0.0019763 k( 326) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0019763 k( 327) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0019763 k( 328) = ( -0.4931311 0.5068689 0.0000000), wk = 0.0019763 k( 329) = ( -0.4862621 0.5137379 0.0000000), wk = 0.0019763 k( 330) = ( -0.4793932 0.5206068 0.0000000), wk = 0.0019763 k( 331) = ( -0.4725242 0.5274758 0.0000000), wk = 0.0019763 k( 332) = ( -0.4656553 0.5343447 0.0000000), wk = 0.0019763 k( 333) = ( -0.4587863 0.5412137 0.0000000), wk = 0.0019763 k( 334) = ( -0.4519174 0.5480826 0.0000000), wk = 0.0019763 k( 335) = ( -0.4450484 0.5549516 0.0000000), wk = 0.0019763 k( 336) = ( -0.4381795 0.5618205 0.0000000), wk = 0.0019763 k( 337) = ( -0.4313106 0.5686894 0.0000000), wk = 0.0019763 k( 338) = ( -0.4244416 0.5755584 0.0000000), wk = 0.0019763 k( 339) = ( -0.4175727 0.5824273 0.0000000), wk = 0.0019763 k( 340) = ( -0.4107037 0.5892963 0.0000000), wk = 0.0019763 k( 341) = ( -0.4038348 0.5961652 0.0000000), wk = 0.0019763 k( 342) = ( -0.3969658 0.6030342 0.0000000), wk = 0.0019763 k( 343) = ( -0.3900969 0.6099031 0.0000000), wk = 0.0019763 k( 344) = ( -0.3900969 0.6099031 0.0000000), wk = 0.0019763 k( 345) = ( -0.3900969 0.6099031 0.0111111), wk = 0.0019763 k( 346) = ( -0.3900969 0.6099031 0.0222222), wk = 0.0019763 k( 347) = ( -0.3900969 0.6099031 0.0333333), wk = 0.0019763 k( 348) = ( -0.3900969 0.6099031 0.0444444), wk = 0.0019763 k( 349) = ( -0.3900969 0.6099031 0.0555556), wk = 0.0019763 k( 350) = ( -0.3900969 0.6099031 0.0666667), wk = 0.0019763 k( 351) = ( -0.3900969 0.6099031 0.0777778), wk = 0.0019763 k( 352) = ( -0.3900969 0.6099031 0.0888889), wk = 0.0019763 k( 353) = ( -0.3900969 0.6099031 0.1000000), wk = 0.0019763 k( 354) = ( -0.3900969 0.6099031 0.1111111), wk = 0.0019763 k( 355) = ( -0.3900969 0.6099031 0.1222222), wk = 0.0019763 k( 356) = ( -0.3900969 0.6099031 0.1333333), wk = 0.0019763 k( 357) = ( -0.3900969 0.6099031 0.1444444), wk = 0.0019763 k( 358) = ( -0.3900969 0.6099031 0.1555556), wk = 0.0019763 k( 359) = ( -0.3900969 0.6099031 0.1666667), wk = 0.0019763 k( 360) = ( -0.3900969 0.6099031 0.1777778), wk = 0.0019763 k( 361) = ( -0.3900969 0.6099031 0.1888889), wk = 0.0019763 k( 362) = ( -0.3900969 0.6099031 0.2000000), wk = 0.0019763 k( 363) = ( -0.3900969 0.6099031 0.2111111), wk = 0.0019763 k( 364) = ( -0.3900969 0.6099031 0.2222222), wk = 0.0019763 k( 365) = ( -0.3900969 0.6099031 0.2333333), wk = 0.0019763 k( 366) = ( -0.3900969 0.6099031 0.2444444), wk = 0.0019763 k( 367) = ( -0.3900969 0.6099031 0.2555556), wk = 0.0019763 k( 368) = ( -0.3900969 0.6099031 0.2666667), wk = 0.0019763 k( 369) = ( -0.3900969 0.6099031 0.2777778), wk = 0.0019763 k( 370) = ( -0.3900969 0.6099031 0.2888889), wk = 0.0019763 k( 371) = ( -0.3900969 0.6099031 0.3000000), wk = 0.0019763 k( 372) = ( -0.3900969 0.6099031 0.3111111), wk = 0.0019763 k( 373) = ( -0.3900969 0.6099031 0.3222222), wk = 0.0019763 k( 374) = ( -0.3900969 0.6099031 0.3333333), wk = 0.0019763 k( 375) = ( -0.3900969 0.6099031 0.3444444), wk = 0.0019763 k( 376) = ( -0.3900969 0.6099031 0.3555556), wk = 0.0019763 k( 377) = ( -0.3900969 0.6099031 0.3666667), wk = 0.0019763 k( 378) = ( -0.3900969 0.6099031 0.3777778), wk = 0.0019763 k( 379) = ( -0.3900969 0.6099031 0.3888889), wk = 0.0019763 k( 380) = ( -0.3900969 0.6099031 0.4000000), wk = 0.0019763 k( 381) = ( -0.3900969 0.6099031 0.4111111), wk = 0.0019763 k( 382) = ( -0.3900969 0.6099031 0.4222222), wk = 0.0019763 k( 383) = ( -0.3900969 0.6099031 0.4333333), wk = 0.0019763 k( 384) = ( -0.3900969 0.6099031 0.4444444), wk = 0.0019763 k( 385) = ( -0.3900969 0.6099031 0.4555556), wk = 0.0019763 k( 386) = ( -0.3900969 0.6099031 0.4666667), wk = 0.0019763 k( 387) = ( -0.3900969 0.6099031 0.4777778), wk = 0.0019763 k( 388) = ( -0.3900969 0.6099031 0.4888889), wk = 0.0019763 k( 389) = ( -0.3900969 0.6099031 0.5000000), wk = 0.0019763 k( 390) = ( -0.3900969 0.6099031 0.5000000), wk = 0.0019763 k( 391) = ( -0.3969658 0.6030342 0.5000000), wk = 0.0019763 k( 392) = ( -0.4038348 0.5961652 0.5000000), wk = 0.0019763 k( 393) = ( -0.4107037 0.5892963 0.5000000), wk = 0.0019763 k( 394) = ( -0.4175727 0.5824273 0.5000000), wk = 0.0019763 k( 395) = ( -0.4244416 0.5755584 0.5000000), wk = 0.0019763 k( 396) = ( -0.4313106 0.5686894 0.5000000), wk = 0.0019763 k( 397) = ( -0.4381795 0.5618205 0.5000000), wk = 0.0019763 k( 398) = ( -0.4450484 0.5549516 0.5000000), wk = 0.0019763 k( 399) = ( -0.4519174 0.5480826 0.5000000), wk = 0.0019763 k( 400) = ( -0.4587863 0.5412137 0.5000000), wk = 0.0019763 k( 401) = ( -0.4656553 0.5343447 0.5000000), wk = 0.0019763 k( 402) = ( -0.4725242 0.5274758 0.5000000), wk = 0.0019763 k( 403) = ( -0.4793932 0.5206068 0.5000000), wk = 0.0019763 k( 404) = ( -0.4862621 0.5137379 0.5000000), wk = 0.0019763 k( 405) = ( -0.4931311 0.5068689 0.5000000), wk = 0.0019763 k( 406) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0019763 k( 407) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0019763 k( 408) = ( -0.5000000 0.5000000 0.4888889), wk = 0.0019763 k( 409) = ( -0.5000000 0.5000000 0.4777778), wk = 0.0019763 k( 410) = ( -0.5000000 0.5000000 0.4666667), wk = 0.0019763 k( 411) = ( -0.5000000 0.5000000 0.4555556), wk = 0.0019763 k( 412) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0019763 k( 413) = ( -0.5000000 0.5000000 0.4333333), wk = 0.0019763 k( 414) = ( -0.5000000 0.5000000 0.4222222), wk = 0.0019763 k( 415) = ( -0.5000000 0.5000000 0.4111111), wk = 0.0019763 k( 416) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0019763 k( 417) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0019763 k( 418) = ( -0.5000000 0.5000000 0.3777778), wk = 0.0019763 k( 419) = ( -0.5000000 0.5000000 0.3666667), wk = 0.0019763 k( 420) = ( -0.5000000 0.5000000 0.3555556), wk = 0.0019763 k( 421) = ( -0.5000000 0.5000000 0.3444444), wk = 0.0019763 k( 422) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0019763 k( 423) = ( -0.5000000 0.5000000 0.3222222), wk = 0.0019763 k( 424) = ( -0.5000000 0.5000000 0.3111111), wk = 0.0019763 k( 425) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0019763 k( 426) = ( -0.5000000 0.5000000 0.2888889), wk = 0.0019763 k( 427) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0019763 k( 428) = ( -0.5000000 0.5000000 0.2666667), wk = 0.0019763 k( 429) = ( -0.5000000 0.5000000 0.2555556), wk = 0.0019763 k( 430) = ( -0.5000000 0.5000000 0.2444444), wk = 0.0019763 k( 431) = ( -0.5000000 0.5000000 0.2333333), wk = 0.0019763 k( 432) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0019763 k( 433) = ( -0.5000000 0.5000000 0.2111111), wk = 0.0019763 k( 434) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0019763 k( 435) = ( -0.5000000 0.5000000 0.1888889), wk = 0.0019763 k( 436) = ( -0.5000000 0.5000000 0.1777778), wk = 0.0019763 k( 437) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0019763 k( 438) = ( -0.5000000 0.5000000 0.1555556), wk = 0.0019763 k( 439) = ( -0.5000000 0.5000000 0.1444444), wk = 0.0019763 k( 440) = ( -0.5000000 0.5000000 0.1333333), wk = 0.0019763 k( 441) = ( -0.5000000 0.5000000 0.1222222), wk = 0.0019763 k( 442) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0019763 k( 443) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0019763 k( 444) = ( -0.5000000 0.5000000 0.0888889), wk = 0.0019763 k( 445) = ( -0.5000000 0.5000000 0.0777778), wk = 0.0019763 k( 446) = ( -0.5000000 0.5000000 0.0666667), wk = 0.0019763 k( 447) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0019763 k( 448) = ( -0.5000000 0.5000000 0.0444444), wk = 0.0019763 k( 449) = ( -0.5000000 0.5000000 0.0333333), wk = 0.0019763 k( 450) = ( -0.5000000 0.5000000 0.0222222), wk = 0.0019763 k( 451) = ( -0.5000000 0.5000000 0.0111111), wk = 0.0019763 k( 452) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0019763 k( 453) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019763 k( 454) = ( -0.0094340 0.0094340 0.5000000), wk = 0.0019763 k( 455) = ( -0.0188679 0.0188679 0.5000000), wk = 0.0019763 k( 456) = ( -0.0283019 0.0283019 0.5000000), wk = 0.0019763 k( 457) = ( -0.0377359 0.0377359 0.5000000), wk = 0.0019763 k( 458) = ( -0.0471698 0.0471698 0.5000000), wk = 0.0019763 k( 459) = ( -0.0566038 0.0566038 0.5000000), wk = 0.0019763 k( 460) = ( -0.0660377 0.0660377 0.5000000), wk = 0.0019763 k( 461) = ( -0.0754717 0.0754717 0.5000000), wk = 0.0019763 k( 462) = ( -0.0849057 0.0849057 0.5000000), wk = 0.0019763 k( 463) = ( -0.0943396 0.0943396 0.5000000), wk = 0.0019763 k( 464) = ( -0.1037736 0.1037736 0.5000000), wk = 0.0019763 k( 465) = ( -0.1132076 0.1132075 0.5000000), wk = 0.0019763 k( 466) = ( -0.1226415 0.1226415 0.5000000), wk = 0.0019763 k( 467) = ( -0.1320755 0.1320755 0.5000000), wk = 0.0019763 k( 468) = ( -0.1415094 0.1415094 0.5000000), wk = 0.0019763 k( 469) = ( -0.1509434 0.1509434 0.5000000), wk = 0.0019763 k( 470) = ( -0.1603774 0.1603774 0.5000000), wk = 0.0019763 k( 471) = ( -0.1698113 0.1698113 0.5000000), wk = 0.0019763 k( 472) = ( -0.1792453 0.1792453 0.5000000), wk = 0.0019763 k( 473) = ( -0.1886792 0.1886793 0.5000000), wk = 0.0019763 k( 474) = ( -0.1981132 0.1981132 0.5000000), wk = 0.0019763 k( 475) = ( -0.2075472 0.2075472 0.5000000), wk = 0.0019763 k( 476) = ( -0.2169811 0.2169811 0.5000000), wk = 0.0019763 k( 477) = ( -0.2264151 0.2264151 0.5000000), wk = 0.0019763 k( 478) = ( -0.2358491 0.2358491 0.5000000), wk = 0.0019763 k( 479) = ( -0.2452830 0.2452830 0.5000000), wk = 0.0019763 k( 480) = ( -0.2547170 0.2547170 0.5000000), wk = 0.0019763 k( 481) = ( -0.2641509 0.2641509 0.5000000), wk = 0.0019763 k( 482) = ( -0.2735849 0.2735849 0.5000000), wk = 0.0019763 k( 483) = ( -0.2830189 0.2830189 0.5000000), wk = 0.0019763 k( 484) = ( -0.2924528 0.2924528 0.5000000), wk = 0.0019763 k( 485) = ( -0.3018868 0.3018868 0.5000000), wk = 0.0019763 k( 486) = ( -0.3113207 0.3113207 0.5000000), wk = 0.0019763 k( 487) = ( -0.3207547 0.3207547 0.5000000), wk = 0.0019763 k( 488) = ( -0.3301887 0.3301887 0.5000000), wk = 0.0019763 k( 489) = ( -0.3396226 0.3396226 0.5000000), wk = 0.0019763 k( 490) = ( -0.3490566 0.3490566 0.5000000), wk = 0.0019763 k( 491) = ( -0.3584906 0.3584906 0.5000000), wk = 0.0019763 k( 492) = ( -0.3679245 0.3679245 0.5000000), wk = 0.0019763 k( 493) = ( -0.3773585 0.3773585 0.5000000), wk = 0.0019763 k( 494) = ( -0.3867925 0.3867925 0.5000000), wk = 0.0019763 k( 495) = ( -0.3962264 0.3962264 0.5000000), wk = 0.0019763 k( 496) = ( -0.4056604 0.4056604 0.5000000), wk = 0.0019763 k( 497) = ( -0.4150943 0.4150943 0.5000000), wk = 0.0019763 k( 498) = ( -0.4245283 0.4245283 0.5000000), wk = 0.0019763 k( 499) = ( -0.4339623 0.4339623 0.5000000), wk = 0.0019763 k( 500) = ( -0.4433962 0.4433962 0.5000000), wk = 0.0019763 k( 501) = ( -0.4528302 0.4528302 0.5000000), wk = 0.0019763 k( 502) = ( -0.4622641 0.4622641 0.5000000), wk = 0.0019763 k( 503) = ( -0.4716981 0.4716981 0.5000000), wk = 0.0019763 k( 504) = ( -0.4811321 0.4811321 0.5000000), wk = 0.0019763 k( 505) = ( -0.4905660 0.4905660 0.5000000), wk = 0.0019763 k( 506) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0019763 Dense grid: 32491 G-vectors FFT dimensions: ( 45, 45, 40) Smooth grid: 13715 G-vectors FFT dimensions: ( 32, 32, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 82, 36) NL pseudopotentials 0.06 Mb ( 41, 96) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 676) G-vector shells 0.00 Mb ( 332) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 82, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.11 Mb ( 96, 2, 36) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./YCoC2.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.5 secs Computing kpt #: 2 total cpu time spent up to now is 44.1 secs Computing kpt #: 3 total cpu time spent up to now is 44.7 secs Computing kpt #: 4 total cpu time spent up to now is 45.2 secs Computing kpt #: 5 total cpu time spent up to now is 45.8 secs Computing kpt #: 6 total cpu time spent up to now is 46.3 secs Computing kpt #: 7 total cpu time spent up to now is 46.9 secs Computing kpt #: 8 total cpu time spent up to now is 47.4 secs Computing kpt #: 9 total cpu time spent up to now is 48.0 secs Computing kpt #: 10 total cpu time spent up to now is 48.6 secs Computing kpt #: 11 total cpu time spent up to now is 49.1 secs Computing kpt #: 12 total cpu time spent up to now is 49.7 secs Computing kpt #: 13 total cpu time spent up to now is 50.2 secs Computing kpt #: 14 total cpu time spent up to now is 50.8 secs Computing kpt #: 15 total cpu time spent up to now is 51.4 secs Computing kpt #: 16 total cpu time spent up to now is 51.9 secs Computing kpt #: 17 total cpu time spent up to now is 52.5 secs Computing kpt #: 18 total cpu time spent up to now is 53.1 secs Computing kpt #: 19 total cpu time spent up to now is 53.7 secs Computing kpt #: 20 total cpu time spent up to now is 54.4 secs Computing kpt #: 21 total cpu time spent up to now is 55.0 secs Computing kpt #: 22 total cpu time spent up to now is 55.6 secs Computing kpt #: 23 total cpu time spent up to now is 56.2 secs Computing kpt #: 24 total cpu time spent up to now is 56.8 secs Computing kpt #: 25 total cpu time spent up to now is 57.4 secs Computing kpt #: 26 total cpu time spent up to now is 57.9 secs Computing kpt #: 27 total cpu time spent up to now is 58.5 secs Computing kpt #: 28 total cpu time spent up to now is 59.0 secs Computing kpt #: 29 total cpu time spent up to now is 59.5 secs Computing kpt #: 30 total cpu time spent up to now is 60.1 secs Computing kpt #: 31 total cpu time spent up to now is 60.6 secs Computing kpt #: 32 total cpu time spent up to now is 61.2 secs Computing kpt #: 33 total cpu time spent up to now is 61.7 secs Computing kpt #: 34 total cpu time spent up to now is 62.2 secs Computing kpt #: 35 total cpu time spent up to now is 62.7 secs Computing kpt #: 36 total cpu time spent up to now is 63.2 secs Computing kpt #: 37 total cpu time spent up to now is 63.7 secs Computing kpt #: 38 total cpu time spent up to now is 64.2 secs Computing kpt #: 39 total cpu time spent up to now is 64.7 secs Computing kpt #: 40 total cpu time spent up to now is 65.2 secs Computing kpt #: 41 total cpu time spent up to now is 65.7 secs Computing kpt #: 42 total cpu time spent up to now is 66.2 secs Computing kpt #: 43 total cpu time spent up to now is 66.7 secs Computing kpt #: 44 total cpu time spent up to now is 67.2 secs Computing kpt #: 45 total cpu time spent up to now is 67.7 secs Computing kpt #: 46 total cpu time spent up to now is 68.2 secs Computing kpt #: 47 total cpu time spent up to now is 68.7 secs Computing kpt #: 48 total cpu time spent up to now is 69.2 secs Computing kpt #: 49 total cpu time spent up to now is 69.6 secs Computing kpt #: 50 total cpu time spent up to now is 70.1 secs Computing kpt #: 51 total cpu time spent up to now is 70.6 secs Computing kpt #: 52 total cpu time spent up to now is 71.1 secs Computing kpt #: 53 total cpu time spent up to now is 71.5 secs Computing kpt #: 54 total cpu time spent up to now is 72.0 secs Computing kpt #: 55 total cpu time spent up to now is 72.5 secs Computing kpt #: 56 total cpu time spent up to now is 73.0 secs Computing kpt #: 57 total cpu time spent up to now is 73.5 secs Computing kpt #: 58 total cpu time spent up to now is 74.0 secs Computing kpt #: 59 total cpu time spent up to now is 74.5 secs Computing kpt #: 60 total cpu time spent up to now is 74.9 secs Computing kpt #: 61 total cpu time spent up to now is 75.4 secs Computing kpt #: 62 total cpu time spent up to now is 75.9 secs Computing kpt #: 63 total cpu time spent up to now is 76.4 secs Computing kpt #: 64 total cpu time spent up to now is 76.9 secs Computing kpt #: 65 total cpu time spent up to now is 77.3 secs Computing kpt #: 66 total cpu time spent up to now is 77.8 secs Computing kpt #: 67 total cpu time spent up to now is 78.3 secs Computing kpt #: 68 total cpu time spent up to now is 78.8 secs Computing kpt #: 69 total cpu time spent up to now is 79.4 secs Computing kpt #: 70 total cpu time spent up to now is 79.9 secs Computing kpt #: 71 total cpu time spent up to now is 80.4 secs Computing kpt #: 72 total cpu time spent up to now is 80.9 secs Computing kpt #: 73 total cpu time spent up to now is 81.5 secs Computing kpt #: 74 total cpu time spent up to now is 82.0 secs Computing kpt #: 75 total cpu time spent up to now is 82.5 secs Computing kpt #: 76 total cpu time spent up to now is 83.1 secs Computing kpt #: 77 total cpu time spent up to now is 83.7 secs Computing kpt #: 78 total cpu time spent up to now is 84.3 secs Computing kpt #: 79 total cpu time spent up to now is 84.9 secs Computing kpt #: 80 total cpu time spent up to now is 85.5 secs Computing kpt #: 81 total cpu time spent up to now is 86.1 secs Computing kpt #: 82 total cpu time spent up to now is 86.7 secs Computing kpt #: 83 total cpu time spent up to now is 87.5 secs Computing kpt #: 84 total cpu time spent up to now is 88.0 secs Computing kpt #: 85 total cpu time spent up to now is 88.7 secs Computing kpt #: 86 total cpu time spent up to now is 89.2 secs Computing kpt #: 87 total cpu time spent up to now is 90.4 secs Computing kpt #: 88 total cpu time spent up to now is 91.0 secs Computing kpt #: 89 total cpu time spent up to now is 91.6 secs Computing kpt #: 90 total cpu time spent up to now is 92.1 secs Computing kpt #: 91 total cpu time spent up to now is 92.7 secs Computing kpt #: 92 total cpu time spent up to now is 93.3 secs Computing kpt #: 93 total cpu time spent up to now is 93.9 secs Computing kpt #: 94 total cpu time spent up to now is 94.5 secs Computing kpt #: 95 total cpu time spent up to now is 95.0 secs Computing kpt #: 96 total cpu time spent up to now is 95.8 secs Computing kpt #: 97 total cpu time spent up to now is 96.4 secs Computing kpt #: 98 total cpu time spent up to now is 97.0 secs Computing kpt #: 99 total cpu time spent up to now is 97.6 secs Computing kpt #: 100 total cpu time spent up to now is 98.2 secs Computing kpt #: 101 total cpu time spent up to now is 98.7 secs Computing kpt #: 102 total cpu time spent up to now is 99.5 secs Computing kpt #: 103 total cpu time spent up to now is 100.0 secs Computing kpt #: 104 total cpu time spent up to now is 100.6 secs Computing kpt #: 105 total cpu time spent up to now is 101.1 secs Computing kpt #: 106 total cpu time spent up to now is 101.7 secs Computing kpt #: 107 total cpu time spent up to now is 102.3 secs Computing kpt #: 108 total cpu time spent up to now is 102.9 secs Computing kpt #: 109 total cpu time spent up to now is 103.5 secs Computing kpt #: 110 total cpu time spent up to now is 104.3 secs Computing kpt #: 111 total cpu time spent up to now is 105.2 secs Computing kpt #: 112 total cpu time spent up to now is 105.7 secs Computing kpt #: 113 total cpu time spent up to now is 106.3 secs Computing kpt #: 114 total cpu time spent up to now is 106.9 secs Computing kpt #: 115 total cpu time spent up to now is 107.4 secs Computing kpt #: 116 total cpu time spent up to now is 108.0 secs Computing kpt #: 117 total cpu time spent up to now is 108.5 secs Computing kpt #: 118 total cpu time spent up to now is 109.1 secs Computing kpt #: 119 total cpu time spent up to now is 109.7 secs Computing kpt #: 120 total cpu time spent up to now is 110.3 secs Computing kpt #: 121 total cpu time spent up to now is 110.8 secs Computing kpt #: 122 total cpu time spent up to now is 111.4 secs Computing kpt #: 123 total cpu time spent up to now is 111.9 secs Computing kpt #: 124 total cpu time spent up to now is 112.5 secs Computing kpt #: 125 total cpu time spent up to now is 113.1 secs Computing kpt #: 126 total cpu time spent up to now is 113.6 secs Computing kpt #: 127 total cpu time spent up to now is 114.2 secs Computing kpt #: 128 total cpu time spent up to now is 114.8 secs Computing kpt #: 129 total cpu time spent up to now is 115.4 secs Computing kpt #: 130 total cpu time spent up to now is 116.0 secs Computing kpt #: 131 total cpu time spent up to now is 116.6 secs Computing kpt #: 132 total cpu time spent up to now is 117.1 secs Computing kpt #: 133 total cpu time spent up to now is 117.7 secs Computing kpt #: 134 total cpu time spent up to now is 118.3 secs Computing kpt #: 135 total cpu time spent up to now is 118.8 secs Computing kpt #: 136 total cpu time spent up to now is 119.4 secs Computing kpt #: 137 total cpu time spent up to now is 120.0 secs Computing kpt #: 138 total cpu time spent up to now is 120.7 secs Computing kpt #: 139 total cpu time spent up to now is 121.3 secs Computing kpt #: 140 total cpu time spent up to now is 122.0 secs Computing kpt #: 141 total cpu time spent up to now is 122.6 secs Computing kpt #: 142 total cpu time spent up to now is 123.2 secs Computing kpt #: 143 total cpu time spent up to now is 123.7 secs Computing kpt #: 144 total cpu time spent up to now is 124.3 secs Computing kpt #: 145 total cpu time spent up to now is 124.9 secs Computing kpt #: 146 total cpu time spent up to now is 125.5 secs Computing kpt #: 147 total cpu time spent up to now is 126.1 secs Computing kpt #: 148 total cpu time spent up to now is 126.7 secs Computing kpt #: 149 total cpu time spent up to now is 127.4 secs Computing kpt #: 150 total cpu time spent up to now is 127.9 secs Computing kpt #: 151 total cpu time spent up to now is 128.5 secs Computing kpt #: 152 total cpu time spent up to now is 129.1 secs Computing kpt #: 153 total cpu time spent up to now is 129.7 secs Computing kpt #: 154 total cpu time spent up to now is 130.2 secs Computing kpt #: 155 total cpu time spent up to now is 130.8 secs Computing kpt #: 156 total cpu time spent up to now is 131.4 secs Computing kpt #: 157 total cpu time spent up to now is 132.0 secs Computing kpt #: 158 total cpu time spent up to now is 132.7 secs Computing kpt #: 159 total cpu time spent up to now is 133.4 secs Computing kpt #: 160 total cpu time spent up to now is 134.0 secs Computing kpt #: 161 total cpu time spent up to now is 134.7 secs Computing kpt #: 162 total cpu time spent up to now is 135.3 secs Computing kpt #: 163 total cpu time spent up to now is 135.8 secs Computing kpt #: 164 total cpu time spent up to now is 136.4 secs Computing kpt #: 165 total cpu time spent up to now is 137.0 secs Computing kpt #: 166 total cpu time spent up to now is 137.5 secs Computing kpt #: 167 total cpu time spent up to now is 138.1 secs Computing kpt #: 168 total cpu time spent up to now is 138.7 secs Computing kpt #: 169 total cpu time spent up to now is 139.3 secs Computing kpt #: 170 total cpu time spent up to now is 139.9 secs Computing kpt #: 171 total cpu time spent up to now is 140.4 secs Computing kpt #: 172 total cpu time spent up to now is 141.0 secs Computing kpt #: 173 total cpu time spent up to now is 141.6 secs Computing kpt #: 174 total cpu time spent up to now is 142.1 secs Computing kpt #: 175 total cpu time spent up to now is 142.7 secs Computing kpt #: 176 total cpu time spent up to now is 143.3 secs Computing kpt #: 177 total cpu time spent up to now is 144.0 secs Computing kpt #: 178 total cpu time spent up to now is 144.8 secs Computing kpt #: 179 total cpu time spent up to now is 145.4 secs Computing kpt #: 180 total cpu time spent up to now is 146.0 secs Computing kpt #: 181 total cpu time spent up to now is 146.6 secs Computing kpt #: 182 total cpu time spent up to now is 147.3 secs Computing kpt #: 183 total cpu time spent up to now is 148.0 secs Computing kpt #: 184 total cpu time spent up to now is 148.5 secs Computing kpt #: 185 total cpu time spent up to now is 149.1 secs Computing kpt #: 186 total cpu time spent up to now is 149.7 secs Computing kpt #: 187 total cpu time spent up to now is 150.5 secs Computing kpt #: 188 total cpu time spent up to now is 151.2 secs Computing kpt #: 189 total cpu time spent up to now is 151.9 secs Computing kpt #: 190 total cpu time spent up to now is 152.5 secs Computing kpt #: 191 total cpu time spent up to now is 153.2 secs Computing kpt #: 192 total cpu time spent up to now is 153.9 secs Computing kpt #: 193 total cpu time spent up to now is 154.5 secs Computing kpt #: 194 total cpu time spent up to now is 155.0 secs Computing kpt #: 195 total cpu time spent up to now is 155.5 secs Computing kpt #: 196 total cpu time spent up to now is 156.1 secs Computing kpt #: 197 total cpu time spent up to now is 156.7 secs Computing kpt #: 198 total cpu time spent up to now is 157.3 secs Computing kpt #: 199 total cpu time spent up to now is 158.0 secs Computing kpt #: 200 total cpu time spent up to now is 158.5 secs Computing kpt #: 201 total cpu time spent up to now is 159.1 secs Computing kpt #: 202 total cpu time spent up to now is 159.6 secs Computing kpt #: 203 total cpu time spent up to now is 160.1 secs Computing kpt #: 204 total cpu time spent up to now is 160.6 secs Computing kpt #: 205 total cpu time spent up to now is 161.1 secs Computing kpt #: 206 total cpu time spent up to now is 161.6 secs Computing kpt #: 207 total cpu time spent up to now is 162.2 secs Computing kpt #: 208 total cpu time spent up to now is 162.7 secs Computing kpt #: 209 total cpu time spent up to now is 163.2 secs Computing kpt #: 210 total cpu time spent up to now is 163.8 secs Computing kpt #: 211 total cpu time spent up to now is 164.3 secs Computing kpt #: 212 total cpu time spent up to now is 164.8 secs Computing kpt #: 213 total cpu time spent up to now is 165.3 secs Computing kpt #: 214 total cpu time spent up to now is 165.8 secs Computing kpt #: 215 total cpu time spent up to now is 166.6 secs Computing kpt #: 216 total cpu time spent up to now is 167.0 secs Computing kpt #: 217 total cpu time spent up to now is 167.5 secs Computing kpt #: 218 total cpu time spent up to now is 168.1 secs Computing kpt #: 219 total cpu time spent up to now is 168.6 secs Computing kpt #: 220 total cpu time spent up to now is 169.1 secs Computing kpt #: 221 total cpu time spent up to now is 169.7 secs Computing kpt #: 222 total cpu time spent up to now is 170.2 secs Computing kpt #: 223 total cpu time spent up to now is 170.7 secs Computing kpt #: 224 total cpu time spent up to now is 171.2 secs Computing kpt #: 225 total cpu time spent up to now is 171.7 secs Computing kpt #: 226 total cpu time spent up to now is 172.2 secs Computing kpt #: 227 total cpu time spent up to now is 172.7 secs Computing kpt #: 228 total cpu time spent up to now is 173.2 secs Computing kpt #: 229 total cpu time spent up to now is 173.7 secs Computing kpt #: 230 total cpu time spent up to now is 174.3 secs Computing kpt #: 231 total cpu time spent up to now is 174.9 secs Computing kpt #: 232 total cpu time spent up to now is 175.4 secs Computing kpt #: 233 total cpu time spent up to now is 176.0 secs Computing kpt #: 234 total cpu time spent up to now is 176.5 secs Computing kpt #: 235 total cpu time spent up to now is 177.0 secs Computing kpt #: 236 total cpu time spent up to now is 177.6 secs Computing kpt #: 237 total cpu time spent up to now is 178.4 secs Computing kpt #: 238 total cpu time spent up to now is 179.2 secs Computing kpt #: 239 total cpu time spent up to now is 180.0 secs Computing kpt #: 240 total cpu time spent up to now is 180.9 secs Computing kpt #: 241 total cpu time spent up to now is 181.7 secs Computing kpt #: 242 total cpu time spent up to now is 182.5 secs Computing kpt #: 243 total cpu time spent up to now is 183.3 secs Computing kpt #: 244 total cpu time spent up to now is 184.0 secs Computing kpt #: 245 total cpu time spent up to now is 184.5 secs Computing kpt #: 246 total cpu time spent up to now is 185.3 secs Computing kpt #: 247 total cpu time spent up to now is 185.8 secs Computing kpt #: 248 total cpu time spent up to now is 186.4 secs Computing kpt #: 249 total cpu time spent up to now is 186.9 secs Computing kpt #: 250 total cpu time spent up to now is 187.5 secs Computing kpt #: 251 total cpu time spent up to now is 188.0 secs Computing kpt #: 252 total cpu time spent up to now is 188.5 secs Computing kpt #: 253 total cpu time spent up to now is 189.0 secs Computing kpt #: 254 total cpu time spent up to now is 189.5 secs Computing kpt #: 255 total cpu time spent up to now is 190.0 secs Computing kpt #: 256 total cpu time spent up to now is 190.5 secs Computing kpt #: 257 total cpu time spent up to now is 191.1 secs Computing kpt #: 258 total cpu time spent up to now is 191.6 secs Computing kpt #: 259 total cpu time spent up to now is 192.1 secs Computing kpt #: 260 total cpu time spent up to now is 192.7 secs Computing kpt #: 261 total cpu time spent up to now is 193.3 secs Computing kpt #: 262 total cpu time spent up to now is 193.8 secs Computing kpt #: 263 total cpu time spent up to now is 194.4 secs Computing kpt #: 264 total cpu time spent up to now is 194.9 secs Computing kpt #: 265 total cpu time spent up to now is 195.4 secs Computing kpt #: 266 total cpu time spent up to now is 195.9 secs Computing kpt #: 267 total cpu time spent up to now is 196.5 secs Computing kpt #: 268 total cpu time spent up to now is 197.0 secs Computing kpt #: 269 total cpu time spent up to now is 197.5 secs Computing kpt #: 270 total cpu time spent up to now is 198.1 secs Computing kpt #: 271 total cpu time spent up to now is 198.7 secs Computing kpt #: 272 total cpu time spent up to now is 199.2 secs Computing kpt #: 273 total cpu time spent up to now is 199.8 secs Computing kpt #: 274 total cpu time spent up to now is 200.7 secs Computing kpt #: 275 total cpu time spent up to now is 201.2 secs Computing kpt #: 276 total cpu time spent up to now is 201.8 secs Computing kpt #: 277 total cpu time spent up to now is 202.3 secs Computing kpt #: 278 total cpu time spent up to now is 202.9 secs Computing kpt #: 279 total cpu time spent up to now is 203.5 secs Computing kpt #: 280 total cpu time spent up to now is 204.1 secs Computing kpt #: 281 total cpu time spent up to now is 204.7 secs Computing kpt #: 282 total cpu time spent up to now is 205.5 secs Computing kpt #: 283 total cpu time spent up to now is 206.0 secs Computing kpt #: 284 total cpu time spent up to now is 206.5 secs Computing kpt #: 285 total cpu time spent up to now is 207.1 secs Computing kpt #: 286 total cpu time spent up to now is 207.6 secs Computing kpt #: 287 total cpu time spent up to now is 208.1 secs Computing kpt #: 288 total cpu time spent up to now is 208.6 secs Computing kpt #: 289 total cpu time spent up to now is 209.1 secs Computing kpt #: 290 total cpu time spent up to now is 209.6 secs Computing kpt #: 291 total cpu time spent up to now is 210.2 secs Computing kpt #: 292 total cpu time spent up to now is 210.7 secs Computing kpt #: 293 total cpu time spent up to now is 211.2 secs Computing kpt #: 294 total cpu time spent up to now is 211.7 secs Computing kpt #: 295 total cpu time spent up to now is 212.2 secs Computing kpt #: 296 total cpu time spent up to now is 212.7 secs Computing kpt #: 297 total cpu time spent up to now is 213.1 secs Computing kpt #: 298 total cpu time spent up to now is 213.6 secs Computing kpt #: 299 total cpu time spent up to now is 214.1 secs Computing kpt #: 300 total cpu time spent up to now is 214.5 secs Computing kpt #: 301 total cpu time spent up to now is 215.0 secs Computing kpt #: 302 total cpu time spent up to now is 215.4 secs Computing kpt #: 303 total cpu time spent up to now is 216.0 secs Computing kpt #: 304 total cpu time spent up to now is 216.5 secs Computing kpt #: 305 total cpu time spent up to now is 217.0 secs Computing kpt #: 306 total cpu time spent up to now is 217.5 secs Computing kpt #: 307 total cpu time spent up to now is 218.0 secs Computing kpt #: 308 total cpu time spent up to now is 218.4 secs Computing kpt #: 309 total cpu time spent up to now is 218.9 secs Computing kpt #: 310 total cpu time spent up to now is 219.4 secs Computing kpt #: 311 total cpu time spent up to now is 219.8 secs Computing kpt #: 312 total cpu time spent up to now is 220.3 secs Computing kpt #: 313 total cpu time spent up to now is 220.8 secs Computing kpt #: 314 total cpu time spent up to now is 221.2 secs Computing kpt #: 315 total cpu time spent up to now is 221.7 secs Computing kpt #: 316 total cpu time spent up to now is 222.2 secs Computing kpt #: 317 total cpu time spent up to now is 222.7 secs Computing kpt #: 318 total cpu time spent up to now is 223.3 secs Computing kpt #: 319 total cpu time spent up to now is 223.8 secs Computing kpt #: 320 total cpu time spent up to now is 224.2 secs Computing kpt #: 321 total cpu time spent up to now is 224.7 secs Computing kpt #: 322 total cpu time spent up to now is 225.2 secs Computing kpt #: 323 total cpu time spent up to now is 225.7 secs Computing kpt #: 324 total cpu time spent up to now is 226.2 secs Computing kpt #: 325 total cpu time spent up to now is 226.7 secs Computing kpt #: 326 total cpu time spent up to now is 227.1 secs Computing kpt #: 327 total cpu time spent up to now is 227.6 secs Computing kpt #: 328 total cpu time spent up to now is 228.1 secs Computing kpt #: 329 total cpu time spent up to now is 228.6 secs Computing kpt #: 330 total cpu time spent up to now is 229.1 secs Computing kpt #: 331 total cpu time spent up to now is 229.6 secs Computing kpt #: 332 total cpu time spent up to now is 230.2 secs Computing kpt #: 333 total cpu time spent up to now is 230.7 secs Computing kpt #: 334 total cpu time spent up to now is 231.2 secs Computing kpt #: 335 total cpu time spent up to now is 231.6 secs Computing kpt #: 336 total cpu time spent up to now is 232.1 secs Computing kpt #: 337 total cpu time spent up to now is 232.6 secs Computing kpt #: 338 total cpu time spent up to now is 233.0 secs Computing kpt #: 339 total cpu time spent up to now is 233.5 secs Computing kpt #: 340 total cpu time spent up to now is 234.0 secs Computing kpt #: 341 total cpu time spent up to now is 234.5 secs Computing kpt #: 342 total cpu time spent up to now is 235.0 secs Computing kpt #: 343 total cpu time spent up to now is 235.5 secs Computing kpt #: 344 total cpu time spent up to now is 236.0 secs Computing kpt #: 345 total cpu time spent up to now is 236.5 secs Computing kpt #: 346 total cpu time spent up to now is 237.0 secs Computing kpt #: 347 total cpu time spent up to now is 237.4 secs Computing kpt #: 348 total cpu time spent up to now is 237.9 secs Computing kpt #: 349 total cpu time spent up to now is 238.4 secs Computing kpt #: 350 total cpu time spent up to now is 238.9 secs Computing kpt #: 351 total cpu time spent up to now is 239.3 secs Computing kpt #: 352 total cpu time spent up to now is 239.8 secs Computing kpt #: 353 total cpu time spent up to now is 240.3 secs Computing kpt #: 354 total cpu time spent up to now is 240.8 secs Computing kpt #: 355 total cpu time spent up to now is 241.3 secs Computing kpt #: 356 total cpu time spent up to now is 241.9 secs Computing kpt #: 357 total cpu time spent up to now is 242.4 secs Computing kpt #: 358 total cpu time spent up to now is 242.9 secs Computing kpt #: 359 total cpu time spent up to now is 243.4 secs Computing kpt #: 360 total cpu time spent up to now is 243.9 secs Computing kpt #: 361 total cpu time spent up to now is 244.4 secs Computing kpt #: 362 total cpu time spent up to now is 244.9 secs Computing kpt #: 363 total cpu time spent up to now is 245.4 secs Computing kpt #: 364 total cpu time spent up to now is 245.9 secs Computing kpt #: 365 total cpu time spent up to now is 246.6 secs Computing kpt #: 366 total cpu time spent up to now is 247.1 secs Computing kpt #: 367 total cpu time spent up to now is 247.7 secs Computing kpt #: 368 total cpu time spent up to now is 248.2 secs Computing kpt #: 369 total cpu time spent up to now is 248.7 secs Computing kpt #: 370 total cpu time spent up to now is 249.3 secs Computing kpt #: 371 total cpu time spent up to now is 249.9 secs Computing kpt #: 372 total cpu time spent up to now is 250.4 secs Computing kpt #: 373 total cpu time spent up to now is 251.0 secs Computing kpt #: 374 total cpu time spent up to now is 251.6 secs Computing kpt #: 375 total cpu time spent up to now is 252.2 secs Computing kpt #: 376 total cpu time spent up to now is 252.9 secs Computing kpt #: 377 total cpu time spent up to now is 253.5 secs Computing kpt #: 378 total cpu time spent up to now is 254.2 secs Computing kpt #: 379 total cpu time spent up to now is 254.8 secs Computing kpt #: 380 total cpu time spent up to now is 255.4 secs Computing kpt #: 381 total cpu time spent up to now is 256.0 secs Computing kpt #: 382 total cpu time spent up to now is 256.6 secs Computing kpt #: 383 total cpu time spent up to now is 257.1 secs Computing kpt #: 384 total cpu time spent up to now is 257.7 secs Computing kpt #: 385 total cpu time spent up to now is 258.3 secs Computing kpt #: 386 total cpu time spent up to now is 258.9 secs Computing kpt #: 387 total cpu time spent up to now is 259.4 secs Computing kpt #: 388 total cpu time spent up to now is 260.0 secs Computing kpt #: 389 total cpu time spent up to now is 260.5 secs Computing kpt #: 390 total cpu time spent up to now is 261.1 secs Computing kpt #: 391 total cpu time spent up to now is 261.7 secs Computing kpt #: 392 total cpu time spent up to now is 262.2 secs Computing kpt #: 393 total cpu time spent up to now is 262.8 secs Computing kpt #: 394 total cpu time spent up to now is 263.3 secs Computing kpt #: 395 total cpu time spent up to now is 263.9 secs Computing kpt #: 396 total cpu time spent up to now is 264.5 secs Computing kpt #: 397 total cpu time spent up to now is 265.1 secs Computing kpt #: 398 total cpu time spent up to now is 265.7 secs Computing kpt #: 399 total cpu time spent up to now is 266.3 secs Computing kpt #: 400 total cpu time spent up to now is 266.8 secs Computing kpt #: 401 total cpu time spent up to now is 267.4 secs Computing kpt #: 402 total cpu time spent up to now is 267.9 secs Computing kpt #: 403 total cpu time spent up to now is 268.5 secs Computing kpt #: 404 total cpu time spent up to now is 269.0 secs Computing kpt #: 405 total cpu time spent up to now is 269.5 secs Computing kpt #: 406 total cpu time spent up to now is 270.1 secs Computing kpt #: 407 total cpu time spent up to now is 270.7 secs Computing kpt #: 408 total cpu time spent up to now is 271.3 secs Computing kpt #: 409 total cpu time spent up to now is 271.8 secs Computing kpt #: 410 total cpu time spent up to now is 272.4 secs Computing kpt #: 411 total cpu time spent up to now is 273.0 secs Computing kpt #: 412 total cpu time spent up to now is 273.6 secs Computing kpt #: 413 total cpu time spent up to now is 274.2 secs Computing kpt #: 414 total cpu time spent up to now is 274.9 secs Computing kpt #: 415 total cpu time spent up to now is 275.5 secs Computing kpt #: 416 total cpu time spent up to now is 276.2 secs Computing kpt #: 417 total cpu time spent up to now is 276.8 secs Computing kpt #: 418 total cpu time spent up to now is 277.5 secs Computing kpt #: 419 total cpu time spent up to now is 278.0 secs Computing kpt #: 420 total cpu time spent up to now is 278.6 secs Computing kpt #: 421 total cpu time spent up to now is 279.1 secs Computing kpt #: 422 total cpu time spent up to now is 279.7 secs Computing kpt #: 423 total cpu time spent up to now is 280.3 secs Computing kpt #: 424 total cpu time spent up to now is 280.8 secs Computing kpt #: 425 total cpu time spent up to now is 281.3 secs Computing kpt #: 426 total cpu time spent up to now is 281.8 secs Computing kpt #: 427 total cpu time spent up to now is 282.3 secs Computing kpt #: 428 total cpu time spent up to now is 282.8 secs Computing kpt #: 429 total cpu time spent up to now is 283.4 secs Computing kpt #: 430 total cpu time spent up to now is 283.9 secs Computing kpt #: 431 total cpu time spent up to now is 284.4 secs Computing kpt #: 432 total cpu time spent up to now is 284.9 secs Computing kpt #: 433 total cpu time spent up to now is 285.4 secs Computing kpt #: 434 total cpu time spent up to now is 285.9 secs Computing kpt #: 435 total cpu time spent up to now is 286.4 secs Computing kpt #: 436 total cpu time spent up to now is 286.9 secs Computing kpt #: 437 total cpu time spent up to now is 287.4 secs Computing kpt #: 438 total cpu time spent up to now is 288.0 secs Computing kpt #: 439 total cpu time spent up to now is 288.5 secs Computing kpt #: 440 total cpu time spent up to now is 289.1 secs Computing kpt #: 441 total cpu time spent up to now is 289.6 secs Computing kpt #: 442 total cpu time spent up to now is 290.2 secs Computing kpt #: 443 total cpu time spent up to now is 290.7 secs Computing kpt #: 444 total cpu time spent up to now is 291.2 secs Computing kpt #: 445 total cpu time spent up to now is 291.7 secs Computing kpt #: 446 total cpu time spent up to now is 297.9 secs Computing kpt #: 447 total cpu time spent up to now is 326.2 secs Computing kpt #: 448 total cpu time spent up to now is 338.2 secs Computing kpt #: 449 total cpu time spent up to now is 353.8 secs Computing kpt #: 450 total cpu time spent up to now is 373.4 secs Computing kpt #: 451 total cpu time spent up to now is 389.4 secs Computing kpt #: 452 total cpu time spent up to now is 389.9 secs Computing kpt #: 453 total cpu time spent up to now is 390.4 secs Computing kpt #: 454 total cpu time spent up to now is 391.0 secs Computing kpt #: 455 total cpu time spent up to now is 391.5 secs Computing kpt #: 456 total cpu time spent up to now is 392.1 secs Computing kpt #: 457 total cpu time spent up to now is 392.6 secs Computing kpt #: 458 total cpu time spent up to now is 393.0 secs Computing kpt #: 459 total cpu time spent up to now is 393.5 secs Computing kpt #: 460 total cpu time spent up to now is 394.0 secs Computing kpt #: 461 total cpu time spent up to now is 394.6 secs Computing kpt #: 462 total cpu time spent up to now is 395.1 secs Computing kpt #: 463 total cpu time spent up to now is 395.7 secs Computing kpt #: 464 total cpu time spent up to now is 396.2 secs Computing kpt #: 465 total cpu time spent up to now is 396.8 secs Computing kpt #: 466 total cpu time spent up to now is 397.3 secs Computing kpt #: 467 total cpu time spent up to now is 397.8 secs Computing kpt #: 468 total cpu time spent up to now is 398.3 secs Computing kpt #: 469 total cpu time spent up to now is 398.8 secs Computing kpt #: 470 total cpu time spent up to now is 399.3 secs Computing kpt #: 471 total cpu time spent up to now is 399.9 secs Computing kpt #: 472 total cpu time spent up to now is 400.4 secs Computing kpt #: 473 total cpu time spent up to now is 400.9 secs Computing kpt #: 474 total cpu time spent up to now is 401.5 secs Computing kpt #: 475 total cpu time spent up to now is 401.9 secs Computing kpt #: 476 total cpu time spent up to now is 402.4 secs Computing kpt #: 477 total cpu time spent up to now is 402.9 secs Computing kpt #: 478 total cpu time spent up to now is 403.5 secs Computing kpt #: 479 total cpu time spent up to now is 404.0 secs Computing kpt #: 480 total cpu time spent up to now is 404.5 secs Computing kpt #: 481 total cpu time spent up to now is 405.1 secs Computing kpt #: 482 total cpu time spent up to now is 405.6 secs Computing kpt #: 483 total cpu time spent up to now is 406.1 secs Computing kpt #: 484 total cpu time spent up to now is 406.6 secs Computing kpt #: 485 total cpu time spent up to now is 407.1 secs Computing kpt #: 486 total cpu time spent up to now is 407.6 secs Computing kpt #: 487 total cpu time spent up to now is 408.1 secs Computing kpt #: 488 total cpu time spent up to now is 408.6 secs Computing kpt #: 489 total cpu time spent up to now is 409.2 secs Computing kpt #: 490 total cpu time spent up to now is 409.7 secs Computing kpt #: 491 total cpu time spent up to now is 410.3 secs Computing kpt #: 492 total cpu time spent up to now is 410.8 secs Computing kpt #: 493 total cpu time spent up to now is 411.4 secs Computing kpt #: 494 total cpu time spent up to now is 411.9 secs Computing kpt #: 495 total cpu time spent up to now is 412.5 secs Computing kpt #: 496 total cpu time spent up to now is 413.1 secs Computing kpt #: 497 total cpu time spent up to now is 413.7 secs Computing kpt #: 498 total cpu time spent up to now is 414.3 secs Computing kpt #: 499 total cpu time spent up to now is 415.0 secs Computing kpt #: 500 total cpu time spent up to now is 415.6 secs Computing kpt #: 501 total cpu time spent up to now is 416.1 secs Computing kpt #: 502 total cpu time spent up to now is 416.7 secs Computing kpt #: 503 total cpu time spent up to now is 417.2 secs Computing kpt #: 504 total cpu time spent up to now is 417.7 secs Computing kpt #: 505 total cpu time spent up to now is 418.3 secs Computing kpt #: 506 total cpu time spent up to now is 418.8 secs ethr = 3.57E-11, avg # of iterations = 18.4 total cpu time spent up to now is 418.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1715 PWs) bands (ev): -29.3443 -29.3443 -10.3028 -10.3028 -8.8786 -8.8786 -8.8620 -8.8620 -2.4786 -2.4786 4.7785 4.7785 6.6441 6.6441 8.1504 8.1504 9.4241 9.4241 10.0188 10.0188 11.2305 11.2305 11.4546 11.4546 11.5663 11.5663 12.6181 12.6181 13.9336 13.9336 14.2245 14.2245 14.9447 14.9447 16.8662 16.8662 k = 0.0071 0.0095-0.0000 ( 1715 PWs) bands (ev): -29.3442 -29.3442 -10.3033 -10.3025 -8.8797 -8.8779 -8.8622 -8.8618 -2.4782 -2.4775 4.7752 4.7762 6.6471 6.6479 8.1504 8.1516 9.4226 9.4228 10.0196 10.0197 11.2312 11.2317 11.4488 11.4520 11.5654 11.5661 12.6107 12.6227 13.9320 13.9326 14.2269 14.2349 14.9455 14.9464 16.8621 16.8670 k = 0.0142 0.0189-0.0000 ( 1717 PWs) bands (ev): -29.3442 -29.3442 -10.3040 -10.3024 -8.8811 -8.8777 -8.8626 -8.8617 -2.4763 -2.4748 4.7664 4.7683 6.6568 6.6584 8.1515 8.1539 9.4184 9.4190 10.0222 10.0222 11.2336 11.2349 11.4345 11.4408 11.5636 11.5647 12.6009 12.6246 13.9281 13.9297 14.2414 14.2568 14.9486 14.9505 16.8548 16.8644 k = 0.0213 0.0284-0.0000 ( 1715 PWs) bands (ev): -29.3441 -29.3441 -10.3049 -10.3024 -8.8830 -8.8778 -8.8630 -8.8617 -2.4729 -2.4706 4.7524 4.7551 6.6729 6.6752 8.1538 8.1574 9.4116 9.4124 10.0264 10.0265 11.2378 11.2401 11.4122 11.4212 11.5609 11.5624 12.5889 12.6236 13.9234 13.9266 14.2668 14.2885 14.9540 14.9568 16.8445 16.8587 k = 0.0284 0.0379-0.0000 ( 1715 PWs) bands (ev): -29.3440 -29.3440 -10.3059 -10.3027 -8.8853 -8.8784 -8.8635 -8.8618 -2.4680 -2.4649 4.7334 4.7369 6.6950 6.6980 8.1572 8.1620 9.4022 9.4032 10.0322 10.0324 11.2432 11.2473 11.3826 11.3932 11.5575 11.5593 12.5752 12.6201 13.9193 13.9245 14.3008 14.3278 14.9613 14.9650 16.8316 16.8502 k = 0.0355 0.0474-0.0000 ( 1717 PWs) bands (ev): -29.3438 -29.3438 -10.3072 -10.3031 -8.8880 -8.8793 -8.8641 -8.8619 -2.4616 -2.4577 4.7100 4.7142 6.7226 6.7261 8.1616 8.1676 9.3902 9.3915 10.0397 10.0398 11.2489 11.2565 11.3472 11.3574 11.5535 11.5554 12.5601 12.6141 13.9170 13.9245 14.3415 14.3730 14.9702 14.9746 16.8165 16.8393 k = 0.0426 0.0568-0.0000 ( 1721 PWs) bands (ev): -29.3437 -29.3437 -10.3086 -10.3037 -8.8911 -8.8805 -8.8649 -8.8621 -2.4538 -2.4491 4.6828 4.6876 6.7551 6.7591 8.1671 8.1743 9.3757 9.3774 10.0486 10.0488 11.2494 11.2675 11.3117 11.3143 11.5490 11.5508 12.5442 12.6062 13.9174 13.9272 14.3872 14.4225 14.9800 14.9850 16.7999 16.8265 k = 0.0496 0.0663-0.0000 ( 1717 PWs) bands (ev): -29.3434 -29.3434 -10.3102 -10.3045 -8.8945 -8.8821 -8.8657 -8.8624 -2.4445 -2.4390 4.6525 4.6576 6.7918 6.7961 8.1737 8.1820 9.3588 9.3608 10.0591 10.0591 11.2262 11.2644 11.2808 11.2954 11.5444 11.5456 12.5280 12.5969 13.9210 13.9328 14.4368 14.4752 14.9902 14.9957 16.7825 16.8124 k = 0.0567 0.0758-0.0000 ( 1717 PWs) bands (ev): -29.3432 -29.3432 -10.3119 -10.3055 -8.8984 -8.8841 -8.8667 -8.8627 -2.4339 -2.4275 4.6195 4.6249 6.8320 6.8365 8.1811 8.1906 9.3397 9.3420 10.0708 10.0709 11.1775 11.2090 11.2956 11.3008 11.5397 11.5400 12.5113 12.5861 13.9278 13.9415 14.4891 14.5301 15.0000 15.0056 16.7653 16.7980 k = 0.0638 0.0853-0.0000 ( 1717 PWs) bands (ev): -29.3429 -29.3429 -10.3138 -10.3066 -8.9025 -8.8864 -8.8677 -8.8632 -2.4219 -2.4147 4.5844 4.5900 6.8750 6.8797 8.1895 8.2001 9.3183 9.3209 10.0837 10.0838 11.1190 11.1487 11.3125 11.3127 11.5340 11.5353 12.4947 12.5743 13.9378 13.9532 14.5433 14.5864 15.0084 15.0141 16.7492 16.7839 k = 0.0709 0.0947-0.0000 ( 1713 PWs) bands (ev): -29.3426 -29.3426 -10.3159 -10.3079 -8.9070 -8.8890 -8.8688 -8.8636 -2.4087 -2.4006 4.5479 4.5535 6.9202 6.9249 8.1985 8.2103 9.2950 9.2979 10.0975 10.0979 11.0555 11.0844 11.3270 11.3312 11.5278 11.5316 12.4783 12.5618 13.9508 13.9677 14.5986 14.6434 15.0147 15.0199 16.7352 16.7714 k = 0.0780 0.1042-0.0000 ( 1713 PWs) bands (ev): -29.3423 -29.3423 -10.3181 -10.3093 -8.9119 -8.8920 -8.8699 -8.8642 -2.3943 -2.3852 4.5103 4.5158 6.9669 6.9715 8.2082 8.2210 9.2697 9.2729 10.1122 10.1128 10.9889 11.0172 11.3423 11.3515 11.5215 11.5291 12.4620 12.5487 13.9668 13.9848 14.6543 14.7004 15.0177 15.0223 16.7246 16.7613 k = 0.0851 0.1137-0.0000 ( 1717 PWs) bands (ev): -29.3419 -29.3419 -10.3205 -10.3109 -8.9170 -8.8952 -8.8711 -8.8648 -2.3787 -2.3687 4.4721 4.4775 7.0144 7.0189 8.2182 8.2322 9.2426 9.2462 10.1272 10.1282 10.9204 10.9483 11.3575 11.3734 11.5154 11.5286 12.4460 12.5353 13.9854 14.0043 14.7100 14.7572 15.0165 15.0200 16.7185 16.7547 k = 0.0922 0.1232-0.0000 ( 1719 PWs) bands (ev): -29.3416 -29.3416 -10.3231 -10.3127 -8.9224 -8.8988 -8.8724 -8.8654 -2.3620 -2.3511 4.4338 4.4389 7.0624 7.0667 8.2286 8.2436 9.2139 9.2179 10.1424 10.1438 10.8516 10.8788 11.3716 11.3963 11.5097 11.5310 12.4303 12.5216 14.0066 14.0262 14.7651 14.8130 15.0102 15.0123 16.7177 16.7526 k = 0.0993 0.1326-0.0000 ( 1723 PWs) bands (ev): -29.3412 -29.3411 -10.3257 -10.3146 -8.9280 -8.9026 -8.8737 -8.8661 -2.3442 -2.3324 4.3957 4.4004 7.1100 7.1141 8.2389 8.2550 9.1838 9.1881 10.1570 10.1590 10.7837 10.8101 11.3834 11.4197 11.5054 11.5375 12.4148 12.5077 14.0299 14.0501 14.8194 14.8678 14.9981 14.9984 16.7234 16.7557 k = 0.1064 0.1421-0.0000 ( 1719 PWs) bands (ev): -29.3407 -29.3407 -10.3285 -10.3166 -8.9339 -8.9067 -8.8751 -8.8669 -2.3255 -2.3127 4.3582 4.3624 7.1570 7.1608 8.2490 8.2660 9.1523 9.1570 10.1704 10.1730 10.7183 10.7439 11.3921 11.4415 11.5047 11.5492 12.3995 12.4937 14.0554 14.0759 14.8722 14.9211 14.9777 14.9798 16.7360 16.7642 k = 0.1135 0.1516-0.0000 ( 1719 PWs) bands (ev): -29.3403 -29.3403 -10.3314 -10.3187 -8.9400 -8.9110 -8.8764 -8.8677 -2.3060 -2.2921 4.3216 4.3252 7.2028 7.2062 8.2584 8.2764 9.1197 9.1247 10.1814 10.1849 10.6574 10.6818 11.3971 11.4560 11.5128 11.5663 12.3843 12.4794 14.0829 14.1036 14.9221 14.9501 14.9562 14.9726 16.7560 16.7772 k = 0.1206 0.1611-0.0000 ( 1709 PWs) bands (ev): -29.3398 -29.3398 -10.3343 -10.3210 -8.9462 -8.9155 -8.8778 -8.8685 -2.2856 -2.2707 4.2861 4.2890 7.2470 7.2501 8.2667 8.2858 9.0862 9.0914 10.1884 10.1933 10.6034 10.6262 11.3989 11.4599 11.5334 11.5885 12.3692 12.4651 14.1121 14.1329 14.9155 14.9200 14.9760 15.0221 16.7835 16.7911 k = 0.1277 0.1705-0.0000 ( 1713 PWs) bands (ev): -29.3393 -29.3393 -10.3374 -10.3234 -8.9527 -8.9203 -8.8792 -8.8694 -2.2645 -2.2485 4.2519 4.2541 7.2891 7.2918 8.2736 8.2936 9.0517 9.0573 10.1894 10.1959 10.5589 10.5798 11.3979 11.4574 11.5619 11.6149 12.3539 12.4502 14.1430 14.1637 14.8743 14.8820 15.0230 15.0694 16.7971 16.8184 k = 0.1348 0.1800-0.0000 ( 1713 PWs) bands (ev): -29.3388 -29.3388 -10.3406 -10.3258 -8.9593 -8.9253 -8.8806 -8.8703 -2.2428 -2.2257 4.2194 4.2208 7.3287 7.3311 8.2785 8.2995 9.0166 9.0225 10.1826 10.1911 10.5266 10.5453 11.3951 11.4525 11.5946 11.6450 12.3384 12.4351 14.1755 14.1961 14.8269 14.8371 15.0686 15.1143 16.7925 16.8603 k = 0.1419 0.1895-0.0000 ( 1713 PWs) bands (ev): -29.3382 -29.3382 -10.3439 -10.3284 -8.9660 -8.9304 -8.8820 -8.8712 -2.2205 -2.2023 4.1887 4.1892 7.3656 7.3675 8.2809 8.3030 8.9810 8.9871 10.1676 10.1781 10.5077 10.5241 11.3910 11.4465 11.6298 11.6781 12.3225 12.4193 14.2095 14.2298 14.7739 14.7865 15.1118 15.1566 16.7826 16.8546 k = 0.1489 0.1990-0.0000 ( 1713 PWs) bands (ev): -29.3377 -29.3377 -10.3472 -10.3311 -8.9728 -8.9357 -8.8834 -8.8721 -2.1978 -2.1785 4.1595 4.1599 7.3992 7.4007 8.2805 8.3036 8.9450 8.9514 10.1462 10.1583 10.5010 10.5155 11.3859 11.4400 11.6671 11.7137 12.3060 12.4030 14.2449 14.2649 14.7161 14.7308 15.1525 15.1962 16.7702 16.8410 k = 0.1560 0.2084-0.0000 ( 1713 PWs) bands (ev): -29.3371 -29.3371 -10.3505 -10.3338 -8.9797 -8.9412 -8.8848 -8.8730 -2.1747 -2.1542 4.1318 4.1333 7.4291 7.4303 8.2769 8.3009 8.9087 8.9154 10.1216 10.1347 10.5040 10.5172 11.3801 11.4332 11.7062 11.7515 12.2889 12.3858 14.2817 14.3012 14.6543 14.6707 15.1906 15.2328 16.7563 16.8268 k = 0.1631 0.2179-0.0000 ( 1713 PWs) bands (ev): -29.3365 -29.3365 -10.3540 -10.3366 -8.9867 -8.9468 -8.8862 -8.8740 -2.1513 -2.1297 4.1064 4.1090 7.4551 7.4558 8.2698 8.2948 8.8723 8.8793 10.0973 10.1108 10.5136 10.5262 11.3736 11.4259 11.7470 11.7913 12.2708 12.3677 14.3198 14.3389 14.5891 14.6072 15.2259 15.2666 16.7408 16.8116 k = 0.1702 0.2274-0.0000 ( 1711 PWs) bands (ev): -29.3359 -29.3359 -10.3574 -10.3395 -8.9937 -8.9524 -8.8875 -8.8749 -2.1277 -2.1049 4.0834 4.0871 7.4765 7.4768 8.2592 8.2853 8.8360 8.8432 10.0760 10.0894 10.5275 10.5400 11.3666 11.4183 11.7893 11.8331 12.2517 12.3485 14.3592 14.3778 14.5214 14.5408 15.2582 15.2973 16.7234 16.7948 k = 0.1773 0.2369-0.0000 ( 1715 PWs) bands (ev): -29.3353 -29.3353 -10.3609 -10.3424 -9.0007 -8.9582 -8.8888 -8.8758 -2.1040 -2.0801 4.0629 4.0677 7.4928 7.4929 8.2454 8.2724 8.7998 8.8072 10.0593 10.0723 10.5440 10.5567 11.3589 11.4103 11.8331 11.8765 12.2314 12.3279 14.3999 14.4177 14.4520 14.4723 15.2876 15.3249 16.7041 16.7761 k = 0.1844 0.2463-0.0000 ( 1719 PWs) bands (ev): -29.3347 -29.3347 -10.3644 -10.3454 -9.0078 -8.9640 -8.8901 -8.8768 -2.0802 -2.0552 4.0449 4.0510 7.5032 7.5036 8.2289 8.2568 8.7639 8.7714 10.0484 10.0608 10.5622 10.5753 11.3506 11.4016 11.8783 11.9215 12.2096 12.3058 14.3808 14.4021 14.4420 14.4594 15.3140 15.3494 16.6824 16.7551 k = 0.1915 0.2558-0.0000 ( 1721 PWs) bands (ev): -29.3341 -29.3341 -10.3679 -10.3484 -9.0148 -8.9699 -8.8913 -8.8777 -2.0566 -2.0303 4.0297 4.0370 7.5075 7.5081 8.2104 8.2391 8.7284 8.7361 10.0436 10.0553 10.5813 10.5948 11.3417 11.3925 11.9248 11.9680 12.1862 12.2821 14.3094 14.3314 14.4851 14.5018 15.3373 15.3708 16.6585 16.7317 k = 0.1986 0.2653-0.0000 ( 1721 PWs) bands (ev): -29.3335 -29.3335 -10.3714 -10.3514 -9.0218 -8.9759 -8.8924 -8.8786 -2.0330 -2.0057 4.0173 4.0258 7.5049 7.5056 8.1910 8.2203 8.6933 8.7011 10.0449 10.0559 10.6006 10.6148 11.3321 11.3827 11.9725 12.0158 12.1610 12.2566 14.2381 14.2604 14.5295 14.5454 15.3577 15.3893 16.6323 16.7058 k = 0.2057 0.2748-0.0000 ( 1729 PWs) bands (ev): -29.3328 -29.3328 -10.3750 -10.3545 -9.0287 -8.9819 -8.8935 -8.8794 -2.0097 -1.9812 4.0078 4.0176 7.4950 7.4956 8.1717 8.2013 8.6588 8.6668 10.0521 10.0625 10.6199 10.6348 11.3215 11.3719 12.0210 12.0648 12.1340 12.2291 14.1673 14.1898 14.5749 14.5901 15.3751 15.4050 16.6041 16.6778 k = 0.2128 0.2842-0.0000 ( 1729 PWs) bands (ev): -29.3322 -29.3322 -10.3784 -10.3576 -9.0355 -8.9879 -8.8945 -8.8802 -1.9866 -1.9571 4.0012 4.0123 7.4774 7.4778 8.1534 8.1830 8.6250 8.6331 10.0647 10.0745 10.6389 10.6545 11.3101 11.3602 12.0700 12.1056 12.1151 12.1995 14.0976 14.1200 14.6213 14.6357 15.3898 15.4181 16.5744 16.6479 k = 0.2199 0.2937-0.0000 ( 1733 PWs) bands (ev): -29.3316 -29.3316 -10.3819 -10.3606 -9.0423 -8.9939 -8.8955 -8.8810 -1.9639 -1.9333 3.9976 4.0101 7.4519 7.4520 8.1369 8.1663 8.5920 8.6001 10.0820 10.0913 10.6574 10.6737 11.2976 11.3474 12.0718 12.1229 12.1642 12.1699 14.0297 14.0517 14.6686 14.6821 15.4019 15.4287 16.5437 16.6167 k = 0.2270 0.3032-0.0000 ( 1733 PWs) bands (ev): -29.3309 -29.3309 -10.3853 -10.3637 -9.0489 -8.9999 -8.8963 -8.8818 -1.9416 -1.9100 3.9972 4.0109 7.4183 7.4191 8.1227 8.1516 8.5598 8.5680 10.1035 10.1124 10.6753 10.6922 11.2840 11.3335 12.0386 12.1333 12.1739 12.2189 13.9640 13.9853 14.7166 14.7291 15.4117 15.4372 16.5126 16.5849 k = 0.2341 0.3127-0.0000 ( 1729 PWs) bands (ev): -29.3303 -29.3303 -10.3886 -10.3668 -9.0554 -9.0058 -8.8971 -8.8825 -1.9199 -1.8873 3.9998 4.0149 7.3775 7.3791 8.1107 8.1389 8.5286 8.5368 10.1283 10.1371 10.6925 10.7101 11.2691 11.3182 12.0027 12.0970 12.2258 12.2718 13.9010 13.9214 14.7651 14.7766 15.4195 15.4440 16.4818 16.5531 k = 0.2412 0.3221-0.0000 ( 1729 PWs) bands (ev): -29.3297 -29.3297 -10.3919 -10.3698 -9.0618 -9.0117 -8.8979 -8.8831 -1.8986 -1.8651 4.0056 4.0220 7.3303 7.3328 8.1008 8.1280 8.4983 8.5066 10.1556 10.1645 10.7091 10.7273 11.2527 11.3013 11.9643 12.0583 12.2780 12.3252 13.8414 13.8605 14.8137 14.8241 15.4259 15.4497 16.4518 16.5219 k = 0.2482 0.3316-0.0000 ( 1721 PWs) bands (ev): -29.3291 -29.3290 -10.3951 -10.3728 -9.0680 -9.0176 -8.8985 -8.8837 -1.8780 -1.8436 4.0145 4.0322 7.2778 7.2811 8.0925 8.1188 8.4691 8.4774 10.1848 10.1940 10.7252 10.7439 11.2349 11.2830 11.9236 12.0175 12.3303 12.3787 13.7857 13.8033 14.8619 14.8712 15.4314 15.4548 16.4232 16.4918 k = 0.2553 0.3411-0.0000 ( 1721 PWs) bands (ev): -29.3284 -29.3284 -10.3983 -10.3759 -9.0741 -9.0235 -8.8990 -8.8843 -1.8580 -1.8228 4.0266 4.0456 7.2208 7.2249 8.0853 8.1106 8.4409 8.4493 10.2150 10.2246 10.7409 10.7601 11.2154 11.2628 11.8806 11.9744 12.3821 12.4320 13.7344 13.7502 14.9091 14.9172 15.4368 15.4602 16.3964 16.4633 k = 0.2624 0.3506-0.0000 ( 1713 PWs) bands (ev): -29.3278 -29.3278 -10.4014 -10.3788 -9.0800 -9.0292 -8.8995 -8.8848 -1.8386 -1.8028 4.0419 4.0621 7.1603 7.1652 8.0788 8.1031 8.4139 8.4224 10.2454 10.2559 10.7565 10.7760 11.1943 11.2409 11.8356 11.9295 12.4332 12.4847 13.6884 13.7019 14.9545 14.9614 15.4431 15.4666 16.3716 16.4367 k = 0.2695 0.3600-0.0000 ( 1713 PWs) bands (ev): -29.3272 -29.3272 -10.4044 -10.3818 -9.0857 -9.0349 -8.8998 -8.8853 -1.8200 -1.7836 4.0603 4.0817 7.0973 7.1028 8.0724 8.0957 8.3881 8.3966 10.2752 10.2867 10.7722 10.7920 11.1714 11.2170 11.7887 11.8828 12.4828 12.5360 13.6482 13.6592 14.9970 15.0028 15.4515 15.4754 16.3491 16.4122 k = 0.2766 0.3695-0.0000 ( 1713 PWs) bands (ev): -29.3266 -29.3266 -10.4073 -10.3847 -9.0913 -9.0405 -8.9001 -8.8857 -1.8022 -1.7652 4.0819 4.1045 7.0323 7.0384 8.0657 8.0880 8.3635 8.3720 10.3037 10.3165 10.7883 10.8086 11.1468 11.1913 11.7400 11.8345 12.5304 12.5855 13.6147 13.6230 15.0354 15.0403 15.4633 15.4875 16.3291 16.3902 k = 0.2837 0.3790-0.0000 ( 1713 PWs) bands (ev): -29.3260 -29.3260 -10.4102 -10.3876 -9.0966 -9.0461 -8.9003 -8.8860 -1.7851 -1.7477 4.1066 4.1302 6.9661 6.9727 8.0583 8.0796 8.3401 8.3486 10.3299 10.3442 10.8052 10.8260 11.1205 11.1637 11.6898 11.7851 12.5751 12.6321 13.5887 13.5941 15.0685 15.0728 15.4799 15.5042 16.3117 16.3706 k = 0.2908 0.3885-0.0000 ( 1711 PWs) bands (ev): -29.3254 -29.3254 -10.4129 -10.3904 -9.1017 -9.0515 -8.9004 -8.8863 -1.7687 -1.7310 4.1343 4.1590 6.8993 6.9063 8.0501 8.0704 8.3181 8.3265 10.3533 10.3692 10.8231 10.8450 11.0925 11.1343 11.6386 11.7351 12.6163 12.6750 13.5711 13.5735 15.0953 15.0995 15.5021 15.5263 16.2970 16.3538 k = 0.2979 0.3979-0.0000 ( 1709 PWs) bands (ev): -29.3249 -29.3248 -10.4156 -10.3932 -9.1066 -9.0569 -8.9005 -8.8866 -1.7532 -1.7152 4.1650 4.1907 6.8323 6.8395 8.0405 8.0598 8.2973 8.3057 10.3732 10.3907 10.8420 10.8655 11.0633 11.1033 11.5867 11.6847 12.6531 12.7133 13.5623 13.5627 15.1155 15.1202 15.5303 15.5537 16.2851 16.3399 k = 0.3050 0.4074-0.0000 ( 1709 PWs) bands (ev): -29.3243 -29.3243 -10.4181 -10.3959 -9.1113 -9.0621 -8.9004 -8.8868 -1.7385 -1.7004 4.1987 4.2253 6.7654 6.7729 8.0294 8.0477 8.2778 8.2862 10.3892 10.4081 10.8614 10.8878 11.0332 11.0708 11.5345 11.6347 12.6848 12.7458 13.5613 13.5641 15.1295 15.1351 15.5637 15.5859 16.2762 16.3290 k = 0.3121 0.4169-0.0000 ( 1705 PWs) bands (ev): -29.3238 -29.3238 -10.4205 -10.3986 -9.1157 -9.0672 -8.9003 -8.8869 -1.7245 -1.6864 4.2352 4.2627 6.6992 6.7068 8.0167 8.0340 8.2596 8.2679 10.4011 10.4211 10.8798 10.9112 11.0035 11.0376 11.4828 11.5859 12.7110 12.7721 13.5711 13.5756 15.1382 15.1451 15.6012 15.6218 16.2705 16.3216 k = 0.3192 0.4264-0.0000 ( 1699 PWs) bands (ev): -29.3232 -29.3232 -10.4229 -10.4012 -9.1200 -9.0722 -8.9000 -8.8870 -1.7114 -1.6734 4.2745 4.3028 6.6338 6.6414 8.0021 8.0183 8.2428 8.2510 10.4089 10.4297 10.8925 10.9327 10.9783 11.0065 11.4323 11.5393 12.7316 12.7920 13.5917 13.5971 15.1430 15.1514 15.6408 15.6596 16.2684 16.3179 k = 0.3263 0.4358-0.0000 ( 1697 PWs) bands (ev): -29.3227 -29.3227 -10.4251 -10.4038 -9.1240 -9.0771 -8.8998 -8.8871 -1.6990 -1.6612 4.3164 4.3454 6.5695 6.5772 7.9854 8.0006 8.2272 8.2353 10.4128 10.4340 10.8887 10.9371 10.9673 10.9913 11.3843 11.4961 12.7471 12.8058 13.6226 13.6282 15.1449 15.1548 15.6809 15.6976 16.2704 16.3185 k = 0.3334 0.4453-0.0000 ( 1701 PWs) bands (ev): -29.3222 -29.3222 -10.4272 -10.4063 -9.1277 -9.0818 -8.8994 -8.8871 -1.6874 -1.6500 4.3609 4.3904 6.5066 6.5142 7.9666 7.9807 8.2129 8.2209 10.4132 10.4343 10.8647 10.9107 10.9722 11.0040 11.3407 11.4580 12.7578 12.8142 13.6627 13.6679 15.1450 15.1564 15.7197 15.7342 16.2769 16.3238 k = 0.3404 0.4548-0.0000 ( 1701 PWs) bands (ev): -29.3218 -29.3217 -10.4292 -10.4087 -9.1313 -9.0865 -8.8990 -8.8870 -1.6765 -1.6396 4.4078 4.4378 6.4452 6.4527 7.9455 7.9585 8.1998 8.2077 10.4105 10.4311 10.8314 10.8742 10.9805 11.0206 11.3053 11.4275 12.7648 12.8184 13.7110 13.7153 15.1440 15.1568 15.7555 15.7679 16.2885 16.3344 k = 0.3475 0.4643-0.0000 ( 1705 PWs) bands (ev): -29.3213 -29.3213 -10.4311 -10.4111 -9.1346 -9.0910 -8.8985 -8.8870 -1.6664 -1.6300 4.4569 4.4874 6.3856 6.3929 7.9220 7.9338 8.1880 8.1958 10.4051 10.4249 10.7945 10.8351 10.9838 11.0281 11.2831 11.4068 12.7688 12.8194 13.7660 13.7691 15.1425 15.1567 15.7872 15.7973 16.3056 16.3507 k = 0.3546 0.4737-0.0000 ( 1703 PWs) bands (ev): -29.3209 -29.3208 -10.4329 -10.4135 -9.1376 -9.0953 -8.8980 -8.8869 -1.6569 -1.6213 4.5081 4.5389 6.3279 6.3350 7.8962 7.9068 8.1774 8.1850 10.3977 10.4162 10.7559 10.7949 10.9785 11.0205 11.2790 11.3977 12.7707 12.8181 13.8265 13.8284 15.1410 15.1564 15.8139 15.8219 16.3283 16.3725 k = 0.3617 0.4832-0.0000 ( 1695 PWs) bands (ev): -29.3204 -29.3204 -10.4345 -10.4157 -9.1404 -9.0995 -8.8974 -8.8868 -1.6481 -1.6134 4.5613 4.5923 6.2722 6.2790 7.8680 7.8775 8.1680 8.1754 10.3887 10.4057 10.7167 10.7544 10.9637 10.9979 11.2924 11.4006 12.7712 12.8153 13.8914 13.8920 15.1398 15.1563 15.8353 15.8413 16.3563 16.3996 k = 0.3688 0.4927-0.0000 ( 1693 PWs) bands (ev): -29.3200 -29.3200 -10.4361 -10.4179 -9.1430 -9.1036 -8.8968 -8.8866 -1.6400 -1.6062 4.6161 4.6473 6.2187 6.2252 7.8373 7.8456 8.1597 8.1669 10.3785 10.3937 10.6771 10.7138 10.9404 10.9651 11.3177 11.4136 12.7707 12.8116 13.9592 13.9598 15.1391 15.1565 15.8514 15.8556 16.3888 16.4312 k = 0.3759 0.5022-0.0000 ( 1693 PWs) bands (ev): -29.3196 -29.3196 -10.4375 -10.4200 -9.1453 -9.1075 -8.8961 -8.8864 -1.6324 -1.5997 4.6725 4.7037 6.1674 6.1735 7.8043 7.8114 8.1524 8.1594 10.3676 10.3808 10.6377 10.6735 10.9108 10.9270 11.3497 11.4343 12.7696 12.8074 14.0292 14.0309 15.1390 15.1572 15.8629 15.8654 16.4247 16.4661 k = 0.3830 0.5116-0.0000 ( 1697 PWs) bands (ev): -29.3193 -29.3193 -10.4388 -10.4221 -9.1474 -9.1113 -8.8955 -8.8863 -1.6255 -1.5940 4.7301 4.7612 6.1185 6.1242 7.7691 7.7749 8.1462 8.1530 10.3563 10.3673 10.5986 10.6337 10.8771 10.8868 11.3854 11.4602 12.7682 12.8031 14.1012 14.1039 15.1396 15.1586 15.8704 15.8714 16.4629 16.5032 k = 0.3901 0.5211-0.0000 ( 1697 PWs) bands (ev): -29.3189 -29.3189 -10.4400 -10.4240 -9.1493 -9.1149 -8.8948 -8.8861 -1.6191 -1.5888 4.7887 4.8196 6.0721 6.0774 7.7317 7.7364 8.1410 8.1475 10.3450 10.3536 10.5603 10.5948 10.8412 10.8460 11.4227 11.4894 12.7668 12.7989 14.1746 14.1782 15.1411 15.1606 15.8742 15.8746 16.5021 16.5412 k = 0.3901 0.5211-0.0000 ( 1697 PWs) bands (ev): -29.3189 -29.3189 -10.4400 -10.4240 -9.1493 -9.1149 -8.8948 -8.8861 -1.6191 -1.5888 4.7887 4.8196 6.0721 6.0774 7.7317 7.7364 8.1410 8.1475 10.3450 10.3536 10.5603 10.5948 10.8412 10.8460 11.4227 11.4894 12.7668 12.7989 14.1746 14.1782 15.1411 15.1606 15.8742 15.8746 16.5021 16.5412 k = 0.3783 0.5211-0.0000 ( 1695 PWs) bands (ev): -29.3191 -29.3191 -10.4393 -10.4228 -9.1481 -9.1127 -8.8952 -8.8862 -1.6231 -1.5922 4.7520 4.7830 6.1013 6.1069 7.7551 7.7604 8.1446 8.1512 10.3519 10.3620 10.5835 10.6184 10.8627 10.8703 11.4006 11.4720 12.7657 12.7994 14.1323 14.1354 15.1394 15.1587 15.8648 15.8655 16.4852 16.5247 k = 0.3665 0.5211-0.0000 ( 1697 PWs) bands (ev): -29.3194 -29.3194 -10.4383 -10.4215 -9.1466 -9.1103 -8.8954 -8.8862 -1.6280 -1.5963 4.7127 4.7437 6.1348 6.1407 7.7790 7.7851 8.1496 8.1564 10.3590 10.3706 10.6077 10.6429 10.8829 10.8938 11.3800 11.4568 12.7602 12.7955 14.0942 14.0968 15.1364 15.1558 15.8383 15.8407 16.4831 16.5221 k = 0.3546 0.5211-0.0000 ( 1700 PWs) bands (ev): -29.3197 -29.3196 -10.4373 -10.4201 -9.1449 -9.1078 -8.8956 -8.8861 -1.6335 -1.6012 4.6712 4.7020 6.1726 6.1787 7.8031 7.8101 8.1560 8.1629 10.3662 10.3791 10.6327 10.6684 10.9010 10.9159 11.3619 11.4447 12.7500 12.7870 14.0610 14.0632 15.1315 15.1512 15.7969 15.8012 16.4955 16.5335 k = 0.3428 0.5211-0.0000 ( 1702 PWs) bands (ev): -29.3200 -29.3199 -10.4361 -10.4187 -9.1429 -9.1051 -8.8956 -8.8860 -1.6396 -1.6069 4.6279 4.6584 6.2145 6.2208 7.8272 7.8351 8.1637 8.1708 10.3730 10.3872 10.6584 10.6947 10.9162 10.9355 11.3476 11.4368 12.7349 12.7736 14.0334 14.0351 15.1240 15.1444 15.7446 15.7508 16.5200 16.5568 k = 0.3310 0.5211-0.0000 ( 1702 PWs) bands (ev): -29.3203 -29.3203 -10.4348 -10.4171 -9.1406 -9.1024 -8.8955 -8.8857 -1.6463 -1.6133 4.5831 4.6132 6.2602 6.2667 7.8512 7.8599 8.1727 8.1799 10.3792 10.3946 10.6846 10.7216 10.9276 10.9510 11.3390 11.4344 12.7149 12.7550 14.0117 14.0131 15.1129 15.1342 15.6864 15.6938 16.5535 16.5894 k = 0.3192 0.5211-0.0000 ( 1702 PWs) bands (ev): -29.3206 -29.3206 -10.4335 -10.4156 -9.1382 -9.0996 -8.8952 -8.8853 -1.6535 -1.6202 4.5373 4.5669 6.3094 6.3161 7.8748 7.8843 8.1829 8.1902 10.3844 10.4008 10.7112 10.7490 10.9342 10.9609 11.3377 11.4383 12.6899 12.7315 13.9962 13.9974 15.0964 15.1193 15.6271 15.6352 16.5933 16.6285 k = 0.3073 0.5211-0.0000 ( 1698 PWs) bands (ev): -29.3210 -29.3210 -10.4320 -10.4140 -9.1356 -9.0968 -8.8947 -8.8848 -1.6611 -1.6277 4.4907 4.5198 6.3619 6.3688 7.8980 7.9084 8.1944 8.2018 10.3882 10.4054 10.7378 10.7768 10.9360 10.9642 11.3451 11.4493 12.6603 12.7032 13.9869 13.9881 15.0728 15.0976 15.5712 15.5793 16.6374 16.6721 k = 0.2955 0.5211-0.0000 ( 1697 PWs) bands (ev): -29.3214 -29.3214 -10.4304 -10.4124 -9.1328 -9.0940 -8.8940 -8.8842 -1.6691 -1.6356 4.4439 4.4723 6.4174 6.4243 7.9208 7.9320 8.2069 8.2144 10.3901 10.4080 10.7640 10.8045 10.9332 10.9611 11.3614 11.4675 12.6263 12.6704 13.9838 13.9851 15.0400 15.0671 15.5227 15.5303 16.6842 16.7188 k = 0.2837 0.5211-0.0000 ( 1695 PWs) bands (ev): -29.3218 -29.3218 -10.4288 -10.4108 -9.1299 -9.0913 -8.8931 -8.8834 -1.6774 -1.6440 4.3969 4.4248 6.4754 6.4823 7.9431 7.9551 8.2205 8.2280 10.3898 10.4080 10.7892 10.8316 10.9269 10.9528 11.3860 11.4924 12.5885 12.6337 13.9867 13.9881 14.9967 15.0261 15.4841 15.4911 16.7326 16.7672 k = 0.2719 0.5211-0.0000 ( 1699 PWs) bands (ev): -29.3222 -29.3222 -10.4272 -10.4093 -9.1270 -9.0887 -8.8919 -8.8824 -1.6859 -1.6528 4.3503 4.3774 6.5357 6.5424 7.9651 7.9778 8.2349 8.2425 10.3866 10.4050 10.8119 10.8569 10.9195 10.9420 11.4176 11.5232 12.5473 12.5935 13.9952 13.9970 14.9431 14.9747 15.4564 15.4630 16.7818 16.8166 k = 0.2601 0.5211-0.0000 ( 1699 PWs) bands (ev): -29.3226 -29.3226 -10.4255 -10.4078 -9.1240 -9.0862 -8.8905 -8.8813 -1.6946 -1.6618 4.3042 4.3305 6.5978 6.6044 7.9867 8.0002 8.2503 8.2579 10.3800 10.3983 10.8293 10.8762 10.9149 10.9344 11.4547 11.5590 12.5037 12.5507 14.0090 14.0111 14.8809 14.9144 15.4389 15.4453 16.8312 16.8664 k = 0.2482 0.5211-0.0000 ( 1698 PWs) bands (ev): -29.3230 -29.3230 -10.4237 -10.4063 -9.1209 -9.0838 -8.8889 -8.8801 -1.7034 -1.6710 4.2588 4.2844 6.6613 6.6677 8.0083 8.0224 8.2664 8.2741 10.3697 10.3875 10.8365 10.8798 10.9189 10.9411 11.4961 11.5989 12.4580 12.5059 14.0277 14.0303 14.8124 14.8474 15.4299 15.4364 16.8802 16.9159 k = 0.2364 0.5211-0.0000 ( 1699 PWs) bands (ev): -29.3234 -29.3234 -10.4220 -10.4049 -9.1179 -9.0816 -8.8871 -8.8786 -1.7122 -1.6804 4.2145 4.2391 6.7260 6.7321 8.0298 8.0446 8.2832 8.2909 10.3550 10.3721 10.8331 10.8698 10.9330 10.9610 11.5407 11.6419 12.4110 12.4596 14.0509 14.0539 14.7399 14.7761 15.4276 15.4345 16.9285 16.9647 k = 0.2246 0.5211-0.0000 ( 1699 PWs) bands (ev): -29.3239 -29.3238 -10.4203 -10.4035 -9.1148 -9.0796 -8.8850 -8.8770 -1.7210 -1.6899 4.1713 4.1951 6.7912 6.7970 8.0516 8.0669 8.3006 8.3082 10.3357 10.3519 10.8239 10.8560 10.9528 10.9852 11.5876 11.6872 12.3634 12.4127 14.0781 14.0816 14.6653 14.7027 15.4306 15.4379 16.9756 17.0125 k = 0.2128 0.5211-0.0000 ( 1705 PWs) bands (ev): -29.3243 -29.3243 -10.4186 -10.4022 -9.1118 -9.0779 -8.8828 -8.8753 -1.7297 -1.6994 4.1296 4.1523 6.8566 6.8620 8.0738 8.0897 8.3184 8.3260 10.3115 10.3266 10.8132 10.8422 10.9747 11.0099 11.6361 11.7341 12.3156 12.3656 14.1091 14.1131 14.5900 14.6284 15.4377 15.4456 17.0214 17.0590 k = 0.2010 0.5211-0.0000 ( 1705 PWs) bands (ev): -29.3247 -29.3247 -10.4169 -10.4010 -9.1089 -9.0763 -8.8803 -8.8734 -1.7383 -1.7089 4.0893 4.1111 6.9216 6.9266 8.0968 8.1131 8.3365 8.3440 10.2826 10.2964 10.8028 10.8297 10.9969 11.0342 11.6857 11.7821 12.2684 12.3189 14.1434 14.1478 14.5153 14.5545 15.4483 15.4568 17.0655 17.1038 k = 0.1891 0.5211-0.0000 ( 1706 PWs) bands (ev): -29.3251 -29.3251 -10.4152 -10.3999 -9.1061 -9.0750 -8.8777 -8.8714 -1.7466 -1.7182 4.0507 4.0715 6.9858 6.9902 8.1209 8.1375 8.3548 8.3622 10.2491 10.2616 10.7936 10.8189 11.0187 11.0575 11.7358 11.8303 12.2221 12.2730 14.1807 14.1854 14.4419 14.4818 15.4617 15.4708 17.1077 17.1469 k = 0.1773 0.5211-0.0000 ( 1707 PWs) bands (ev): -29.3255 -29.3255 -10.4135 -10.3989 -9.1033 -9.0738 -8.8750 -8.8693 -1.7546 -1.7275 4.0140 4.0336 7.0486 7.0525 8.1463 8.1631 8.3731 8.3804 10.2113 10.2225 10.7858 10.8098 11.0395 11.0795 11.7859 11.8783 12.1772 12.2285 14.2205 14.2253 14.3710 14.4111 15.4775 15.4871 17.1478 17.1878 k = 0.1655 0.5211-0.0000 ( 1709 PWs) bands (ev): -29.3259 -29.3259 -10.4119 -10.3980 -9.1007 -9.0729 -8.8722 -8.8671 -1.7624 -1.7365 3.9791 3.9976 7.1093 7.1127 8.1733 8.1903 8.3914 8.3985 10.1697 10.1797 10.7795 10.8022 11.0591 11.1000 11.8355 11.9255 12.1342 12.1858 14.2618 14.2636 14.3063 14.3434 15.4952 15.5054 17.1857 17.2265 k = 0.1537 0.5211-0.0000 ( 1711 PWs) bands (ev): -29.3263 -29.3263 -10.4104 -10.3972 -9.0982 -9.0722 -8.8693 -8.8648 -1.7697 -1.7452 3.9463 3.9637 7.1675 7.1703 8.2022 8.2193 8.4094 8.4163 10.1249 10.1336 10.7744 10.7960 11.0774 11.1187 11.8842 11.9711 12.0936 12.1454 14.2315 14.2714 14.3121 14.3169 15.5146 15.5253 17.2213 17.2627 k = 0.1419 0.5211-0.0000 ( 1713 PWs) bands (ev): -29.3266 -29.3266 -10.4088 -10.3965 -9.0958 -9.0717 -8.8665 -8.8626 -1.7766 -1.7536 3.9156 3.9318 7.2225 7.2248 8.2333 8.2503 8.4269 8.4336 10.0773 10.0848 10.7704 10.7908 11.0941 11.1354 11.9317 12.0138 12.0557 12.1086 14.1702 14.2115 14.3549 14.3615 15.5354 15.5464 17.2544 17.2963 k = 0.1300 0.5211-0.0000 ( 1718 PWs) bands (ev): -29.3270 -29.3270 -10.4074 -10.3959 -9.0936 -9.0714 -8.8637 -8.8603 -1.7831 -1.7616 3.8871 3.9021 7.2738 7.2756 8.2667 8.2834 8.4439 8.4504 10.0276 10.0340 10.7675 10.7866 11.1092 11.1501 11.9769 12.0214 12.0445 12.0843 14.1115 14.1523 14.4013 14.4081 15.5571 15.5683 17.2850 17.3270 k = 0.1182 0.5211-0.0000 ( 1720 PWs) bands (ev): -29.3273 -29.3273 -10.4060 -10.3954 -9.0915 -9.0712 -8.8610 -8.8581 -1.7891 -1.7692 3.8610 3.8747 7.3210 7.3224 8.3024 8.3187 8.4602 8.4664 9.9765 9.9819 10.7652 10.7830 11.1227 11.1626 11.9869 12.0236 12.0294 12.1060 14.0567 14.0966 14.4486 14.4554 15.5794 15.5907 17.3130 17.3541 k = 0.1064 0.5211-0.0000 ( 1722 PWs) bands (ev): -29.3276 -29.3276 -10.4047 -10.3950 -9.0895 -9.0712 -8.8583 -8.8559 -1.7944 -1.7763 3.8371 3.8496 7.3637 7.3647 8.3401 8.3559 8.4756 8.4816 9.9246 9.9290 10.7636 10.7800 11.1345 11.1728 11.9596 12.0014 12.0645 12.1407 14.0062 14.0446 14.4957 14.5025 15.6020 15.6132 17.3366 17.3692 k = 0.0946 0.5211-0.0000 ( 1720 PWs) bands (ev): -29.3278 -29.3278 -10.4034 -10.3947 -9.0876 -9.0713 -8.8559 -8.8539 -1.7992 -1.7829 3.8158 3.8269 7.4016 7.4024 8.3796 8.3947 8.4900 8.4957 9.8727 9.8762 10.7625 10.7774 11.1448 11.1809 11.9351 11.9748 12.1035 12.1737 13.9603 13.9968 14.5421 14.5487 15.6243 15.6351 17.2919 17.3027 k = 0.0827 0.5211-0.0000 ( 1718 PWs) bands (ev): -29.3281 -29.3281 -10.4022 -10.3945 -9.0859 -9.0716 -8.8536 -8.8520 -1.8034 -1.7890 3.7969 3.8067 7.4348 7.4353 8.4199 8.4342 8.5032 8.5087 9.8217 9.8243 10.7619 10.7751 11.1536 11.1869 11.9141 11.9507 12.1398 12.2034 13.9194 13.9533 14.5868 14.5931 15.6460 15.6562 17.2112 17.2214 k = 0.0709 0.5211-0.0000 ( 1714 PWs) bands (ev): -29.3283 -29.3283 -10.4011 -10.3944 -9.0842 -9.0720 -8.8516 -8.8503 -1.8069 -1.7945 3.7805 3.7889 7.4631 7.4635 8.4599 8.4735 8.5150 8.5205 9.7726 9.7744 10.7616 10.7731 11.1612 11.1910 11.8968 11.9296 12.1728 12.2293 13.8838 13.9145 14.6289 14.6347 15.6664 15.6758 17.1371 17.1462 k = 0.0591 0.5211-0.0000 ( 1714 PWs) bands (ev): -29.3284 -29.3284 -10.4000 -10.3945 -9.0827 -9.0725 -8.8498 -8.8488 -1.8098 -1.7993 3.7667 3.7737 7.4866 7.4869 8.4977 8.5111 8.5256 8.5318 9.7266 9.7278 10.7615 10.7713 11.1676 11.1934 11.8830 11.9113 12.2023 12.2509 13.8537 13.8806 14.6673 14.6725 15.6850 15.6933 17.0714 17.0793 k = 0.0473 0.5211-0.0000 ( 1718 PWs) bands (ev): -29.3286 -29.3286 -10.3991 -10.3946 -9.0813 -9.0731 -8.8483 -8.8476 -1.8120 -1.8036 3.7555 3.7611 7.5056 7.5057 8.5272 8.5332 8.5469 8.5469 9.6852 9.6859 10.7617 10.7697 11.1730 11.1943 11.8725 11.8958 12.2280 12.2679 13.8293 13.8517 14.7010 14.7055 15.7013 15.7083 17.0154 17.0220 k = 0.0355 0.5211-0.0000 ( 1718 PWs) bands (ev): -29.3287 -29.3287 -10.3982 -10.3948 -9.0799 -9.0738 -8.8471 -8.8466 -1.8135 -1.8071 3.7469 3.7511 7.5201 7.5202 8.5398 8.5404 8.5722 8.5764 9.6502 9.6505 10.7622 10.7681 11.1776 11.1940 11.8653 11.8832 12.2495 12.2802 13.8109 13.8283 14.7289 14.7324 15.7149 15.7204 16.9706 16.9757 k = 0.0236 0.5211-0.0000 ( 1712 PWs) bands (ev): -29.3288 -29.3288 -10.3974 -10.3952 -9.0787 -9.0746 -8.8462 -8.8459 -1.8142 -1.8099 3.7409 3.7438 7.5303 7.5304 8.5455 8.5457 8.5958 8.5994 9.6233 9.6234 10.7628 10.7668 11.1818 11.1928 11.8613 11.8734 12.2667 12.2875 13.7987 13.8105 14.7499 14.7523 15.7252 15.7290 16.9379 16.9413 k = 0.0118 0.5211-0.0000 ( 1714 PWs) bands (ev): -29.3288 -29.3288 -10.3967 -10.3956 -9.0776 -9.0755 -8.8457 -8.8455 -1.8142 -1.8121 3.7376 3.7391 7.5364 7.5364 8.5486 8.5488 8.6117 8.6136 9.6063 9.6063 10.7635 10.7655 11.1852 11.1908 11.8602 11.8663 12.2792 12.2897 13.7925 13.7985 14.7632 14.7644 15.7319 15.7339 16.9182 16.9199 k = 0.0000 0.5211-0.0000 ( 1714 PWs) bands (ev): -29.3289 -29.3289 -10.3961 -10.3961 -9.0765 -9.0765 -8.8454 -8.8454 -1.8135 -1.8135 3.7370 3.7370 7.5384 7.5384 8.5498 8.5498 8.6178 8.6178 9.6005 9.6005 10.7645 10.7645 11.1883 11.1883 11.8619 11.8619 12.2870 12.2870 13.7924 13.7924 14.7681 14.7681 15.7349 15.7349 16.9122 16.9122 k = 0.0000 0.5211-0.0000 ( 1714 PWs) bands (ev): -29.3289 -29.3289 -10.3961 -10.3961 -9.0765 -9.0765 -8.8454 -8.8454 -1.8135 -1.8135 3.7370 3.7370 7.5384 7.5384 8.5498 8.5498 8.6178 8.6178 9.6005 9.6005 10.7645 10.7645 11.1883 11.1883 11.8619 11.8619 12.2870 12.2870 13.7924 13.7924 14.7681 14.7681 15.7349 15.7349 16.9122 16.9122 k = 0.0000 0.5211 0.0118 ( 1712 PWs) bands (ev): -29.3288 -29.3288 -10.3967 -10.3956 -9.0773 -9.0757 -8.8462 -8.8452 -1.8145 -1.8123 3.7365 3.7389 7.5381 7.5387 8.5440 8.5470 8.6195 8.6223 9.5994 9.6006 10.7627 10.7665 11.1855 11.1915 11.8567 11.8648 12.2850 12.2904 13.7894 13.7932 14.7664 14.7711 15.7345 15.7365 16.9116 16.9152 k = 0.0000 0.5211 0.0237 ( 1708 PWs) bands (ev): -29.3287 -29.3287 -10.3974 -10.3953 -9.0780 -9.0749 -8.8477 -8.8457 -1.8153 -1.8109 3.7373 3.7421 7.5377 7.5389 8.5319 8.5368 8.6263 8.6308 9.5974 9.5998 10.7612 10.7689 11.1831 11.1952 11.8492 11.8652 12.2846 12.2951 13.7841 13.7916 14.7661 14.7755 15.7354 15.7395 16.9135 16.9206 k = 0.0000 0.5211 0.0355 ( 1708 PWs) bands (ev): -29.3285 -29.3285 -10.3982 -10.3951 -9.0788 -9.0741 -8.8498 -8.8468 -1.8160 -1.8093 3.7394 3.7466 7.5372 7.5390 8.5157 8.5219 8.6355 8.6407 9.5945 9.5981 10.7599 10.7714 11.1811 11.1992 11.8396 11.8633 12.2856 12.3010 13.7765 13.7877 14.7674 14.7813 15.7375 15.7436 16.9177 16.9283 k = 0.0000 0.5211 0.0473 ( 1710 PWs) bands (ev): -29.3283 -29.3283 -10.3992 -10.3950 -9.0795 -9.0733 -8.8524 -8.8485 -1.8164 -1.8076 3.7428 3.7523 7.5366 7.5389 8.4967 8.5042 8.6454 8.6509 9.5909 9.5956 10.7588 10.7741 11.1795 11.2037 11.8281 11.8590 12.2880 12.3079 13.7667 13.7813 14.7705 14.7886 15.7408 15.7489 16.9242 16.9383 k = 0.0000 0.5211 0.0592 ( 1710 PWs) bands (ev): -29.3280 -29.3280 -10.4003 -10.3950 -9.0803 -9.0725 -8.8556 -8.8507 -1.8166 -1.8057 3.7476 3.7594 7.5360 7.5389 8.4755 8.4844 8.6550 8.6606 9.5865 9.5923 10.7580 10.7770 11.1785 11.2088 11.8149 11.8524 12.2917 12.3156 13.7548 13.7726 14.7756 14.7974 15.7452 15.7553 16.9330 16.9504 k = 0.0000 0.5211 0.0710 ( 1712 PWs) bands (ev): -29.3276 -29.3276 -10.4015 -10.3952 -9.0812 -9.0717 -8.8593 -8.8535 -1.8166 -1.8037 3.7536 3.7676 7.5353 7.5387 8.4524 8.4628 8.6641 8.6694 9.5816 9.5884 10.7571 10.7799 11.1781 11.2145 11.8003 11.8440 12.2965 12.3239 13.7408 13.7615 14.7828 14.8079 15.7504 15.7626 16.9438 16.9644 k = 0.0000 0.5211 0.0828 ( 1714 PWs) bands (ev): -29.3271 -29.3271 -10.4028 -10.3956 -9.0821 -9.0710 -8.8635 -8.8568 -1.8164 -1.8015 3.7609 3.7771 7.5346 7.5386 8.4276 8.4396 8.6723 8.6774 9.5763 9.5840 10.7563 10.7827 11.1784 11.2210 11.7846 11.8339 12.3021 12.3326 13.7248 13.7481 14.7923 14.8203 15.7566 15.7708 16.9565 16.9802 k = 0.0000 0.5211 0.0946 ( 1714 PWs) bands (ev): -29.3266 -29.3266 -10.4042 -10.3960 -9.0831 -9.0703 -8.8680 -8.8604 -1.8161 -1.7993 3.7695 3.7877 7.5339 7.5384 8.4011 8.4149 8.6795 8.6842 9.5707 9.5793 10.7555 10.7853 11.1798 11.2283 11.7678 11.8223 12.3084 12.3415 13.7069 13.7325 14.8044 14.8348 15.7636 15.7797 16.9711 16.9976 k = 0.0000 0.5211 0.1065 ( 1714 PWs) bands (ev): -29.3260 -29.3260 -10.4058 -10.3967 -9.0843 -9.0697 -8.8729 -8.8645 -1.8156 -1.7970 3.7794 3.7994 7.5333 7.5382 8.3730 8.3887 8.6856 8.6898 9.5652 9.5746 10.7546 10.7875 11.1820 11.2364 11.7504 11.8098 12.3153 12.3506 13.6871 13.7148 14.8192 14.8514 15.7713 15.7893 16.9872 17.0164 k = 0.0000 0.5211 0.1183 ( 1714 PWs) bands (ev): -29.3254 -29.3253 -10.4075 -10.3975 -9.0857 -9.0693 -8.8780 -8.8688 -1.8150 -1.7947 3.7904 3.8122 7.5327 7.5380 8.3434 8.3610 8.6903 8.6940 9.5598 9.5699 10.7535 10.7894 11.1853 11.2454 11.7325 11.7963 12.3223 12.3597 13.6656 13.6951 14.8367 14.8703 15.7797 15.7996 17.0048 17.0364 k = 0.0000 0.5211 0.1301 ( 1708 PWs) bands (ev): -29.3247 -29.3246 -10.4093 -10.3985 -9.0872 -9.0691 -8.8832 -8.8733 -1.8142 -1.7924 3.8026 3.8261 7.5321 7.5379 8.3124 8.3319 8.6936 8.6968 9.5549 9.5655 10.7523 10.7909 11.1898 11.2554 11.7143 11.7824 12.3295 12.3686 13.6424 13.6735 14.8570 14.8916 15.7888 15.8104 17.0237 17.0575 k = 0.0000 0.5211 0.1420 ( 1706 PWs) bands (ev): -29.3239 -29.3239 -10.4112 -10.3996 -9.0891 -9.0691 -8.8885 -8.8778 -1.8133 -1.7901 3.8160 3.8409 7.5317 7.5378 8.2799 8.3014 8.6954 8.6981 9.5506 9.5617 10.7509 10.7917 11.1955 11.2662 11.6961 11.7682 12.3366 12.3772 13.6178 13.6503 14.8801 14.9152 15.7986 15.8218 17.0437 17.0795 k = 0.0000 0.5211 0.1538 ( 1706 PWs) bands (ev): -29.3231 -29.3231 -10.4133 -10.4010 -9.0912 -9.0694 -8.8938 -8.8824 -1.8124 -1.7878 3.8304 3.8567 7.5313 7.5378 8.2461 8.2695 8.6954 8.6977 9.5472 9.5587 10.7492 10.7919 11.2023 11.2777 11.6783 11.7542 12.3435 12.3854 13.5917 13.6255 14.9059 14.9412 15.8090 15.8339 17.0648 17.1023 k = 0.0000 0.5211 0.1656 ( 1702 PWs) bands (ev): -29.3222 -29.3222 -10.4155 -10.4025 -9.0936 -9.0701 -8.8989 -8.8869 -1.8113 -1.7855 3.8458 3.8733 7.5311 7.5379 8.2111 8.2363 8.6937 8.6955 9.5448 9.5565 10.7474 10.7915 11.2101 11.2899 11.6611 11.7406 12.3501 12.3931 13.5644 13.5994 14.9344 14.9696 15.8203 15.8466 17.0869 17.1258 k = 0.0000 0.5211 0.1775 ( 1706 PWs) bands (ev): -29.3214 -29.3214 -10.4178 -10.4042 -9.0964 -9.0712 -8.9038 -8.8912 -1.8102 -1.7834 3.8623 3.8908 7.5310 7.5381 8.1749 8.2018 8.6902 8.6916 9.5437 9.5556 10.7454 10.7904 11.2186 11.3021 11.6450 11.7278 12.3563 12.4003 13.5358 13.5720 14.9654 15.0002 15.8324 15.8600 17.1099 17.1500 k = 0.0000 0.5211 0.1893 ( 1706 PWs) bands (ev): -29.3204 -29.3204 -10.4202 -10.4061 -9.0996 -9.0727 -8.9084 -8.8953 -1.8091 -1.7813 3.8796 3.9090 7.5310 7.5384 8.1376 8.1661 8.6848 8.6859 9.5439 9.5559 10.7432 10.7887 11.2277 11.3140 11.6305 11.7163 12.3620 12.4069 13.5063 13.5436 14.9987 15.0329 15.8454 15.8742 17.1336 17.1749 k = 0.0000 0.5211 0.2011 ( 1708 PWs) bands (ev): -29.3195 -29.3195 -10.4228 -10.4081 -9.1032 -9.0748 -8.9125 -8.8990 -1.8079 -1.7794 3.8979 3.9279 7.5312 7.5389 8.0993 8.1293 8.6776 8.6785 9.5456 9.5575 10.7409 10.7866 11.2370 11.3252 11.6183 11.7064 12.3671 12.4128 13.4758 13.5143 15.0343 15.0676 15.8593 15.8892 17.1582 17.2003 k = 0.0000 0.5211 0.2130 ( 1710 PWs) bands (ev): -29.3185 -29.3185 -10.4255 -10.4104 -9.1071 -9.0775 -8.9162 -8.9024 -1.8068 -1.7777 3.9169 3.9475 7.5315 7.5395 8.0601 8.0915 8.6686 8.6693 9.5487 9.5605 10.7386 10.7841 11.2460 11.3347 11.6091 11.6987 12.3717 12.4179 13.4445 13.4841 15.0718 15.1041 15.8743 15.9052 17.1836 17.2264 k = 0.0000 0.5211 0.2248 ( 1706 PWs) bands (ev): -29.3175 -29.3175 -10.4283 -10.4129 -9.1114 -9.0807 -8.9194 -8.9053 -1.8056 -1.7760 3.9367 3.9676 7.5320 7.5402 8.0201 8.0528 8.6580 8.6585 9.5533 9.5650 10.7364 10.7813 11.2544 11.3418 11.6039 11.6937 12.3757 12.4223 13.4125 13.4534 15.1110 15.1422 15.8904 15.9222 17.2099 17.2530 k = 0.0000 0.5211 0.2366 ( 1710 PWs) bands (ev): -29.3165 -29.3164 -10.4312 -10.4155 -9.1161 -9.0845 -8.9219 -8.9078 -1.8045 -1.7746 3.9571 3.9882 7.5325 7.5411 7.9795 8.0133 8.6459 8.6462 9.5594 9.5707 10.7342 10.7782 11.2615 11.3456 11.6033 11.6918 12.3790 12.4259 13.3798 13.4220 15.1517 15.1816 15.9076 15.9402 17.2369 17.2803 k = 0.0000 0.5211 0.2485 ( 1708 PWs) bands (ev): -29.3154 -29.3154 -10.4342 -10.4183 -9.1210 -9.0889 -8.9239 -8.9098 -1.8034 -1.7733 3.9781 4.0093 7.5332 7.5421 7.9384 7.9732 8.6325 8.6326 9.5668 9.5778 10.7323 10.7751 11.2670 11.3458 11.6078 11.6935 12.3817 12.4287 13.3467 13.3901 15.1936 15.2221 15.9259 15.9593 17.2647 17.3083 k = 0.0000 0.5211 0.2603 ( 1712 PWs) bands (ev): -29.3144 -29.3144 -10.4373 -10.4213 -9.1262 -9.0937 -8.9253 -8.9114 -1.8023 -1.7722 3.9997 4.0307 7.5339 7.5432 7.8968 7.9326 8.6178 8.6180 9.5755 9.5860 10.7305 10.7720 11.2704 11.3423 11.6172 11.6991 12.3837 12.4306 13.3131 13.3578 15.2363 15.2635 15.9454 15.9795 17.2935 17.3369 k = 0.0000 0.5211 0.2721 ( 1710 PWs) bands (ev): -29.3133 -29.3133 -10.4404 -10.4244 -9.1316 -9.0990 -8.9261 -8.9126 -1.8013 -1.7713 4.0216 4.0523 7.5347 7.5443 7.8551 7.8917 8.6021 8.6025 9.5852 9.5954 10.7290 10.7689 11.2717 11.3357 11.6312 11.7088 12.3852 12.4318 13.2792 13.3252 15.2796 15.3054 15.9661 16.0007 17.3231 17.3663 k = 0.0000 0.5211 0.2839 ( 1712 PWs) bands (ev): -29.3123 -29.3123 -10.4436 -10.4276 -9.1372 -9.1047 -8.9265 -8.9134 -1.8003 -1.7706 4.0439 4.0742 7.5354 7.5455 7.8134 7.8507 8.5857 8.5863 9.5960 9.6056 10.7277 10.7659 11.2708 11.3264 11.6489 11.7224 12.3862 12.4321 13.2450 13.2923 15.3231 15.3475 15.9880 16.0230 17.3537 17.3963 k = 0.0000 0.5211 0.2958 ( 1712 PWs) bands (ev): -29.3112 -29.3112 -10.4468 -10.4310 -9.1427 -9.1107 -8.9264 -8.9138 -1.7994 -1.7701 4.0665 4.0961 7.5359 7.5467 7.7718 7.8098 8.5688 8.5696 9.6075 9.6166 10.7268 10.7631 11.2677 11.3154 11.6697 11.7398 12.3866 12.4318 13.2107 13.2593 15.3664 15.3895 16.0107 16.0460 17.3853 17.4270 k = 0.0000 0.5211 0.3076 ( 1714 PWs) bands (ev): -29.3102 -29.3102 -10.4501 -10.4345 -9.1483 -9.1169 -8.9259 -8.9139 -1.7985 -1.7698 4.0892 4.1181 7.5361 7.5478 7.7305 7.7695 8.5517 8.5527 9.6197 9.6282 10.7261 10.7605 11.2628 11.3032 11.6929 11.7605 12.3866 12.4307 13.1763 13.2261 15.4094 15.4312 16.0344 16.0698 17.4178 17.4584 k = 0.0000 0.5211 0.3194 ( 1716 PWs) bands (ev): -29.3092 -29.3092 -10.4534 -10.4380 -9.1539 -9.1232 -8.9251 -8.9137 -1.7978 -1.7697 4.1119 4.1399 7.5357 7.5487 7.6900 7.7300 8.5345 8.5356 9.6324 9.6402 10.7257 10.7580 11.2564 11.2903 11.7180 11.7839 12.3862 12.4289 13.1419 13.1929 15.4517 15.4724 16.0586 16.0940 17.4514 17.4905 k = 0.0000 0.5211 0.3313 ( 1716 PWs) bands (ev): -29.3082 -29.3082 -10.4566 -10.4416 -9.1593 -9.1295 -8.9241 -8.9133 -1.7970 -1.7698 4.1345 4.1616 7.5343 7.5489 7.6506 7.6921 8.5174 8.5187 9.6454 9.6526 10.7256 10.7558 11.2488 11.2772 11.7447 11.8097 12.3854 12.4265 13.1077 13.1597 15.4931 15.5127 16.0831 16.1182 17.4859 17.5231 k = 0.0000 0.5211 0.3431 ( 1718 PWs) bands (ev): -29.3072 -29.3072 -10.4598 -10.4453 -9.1645 -9.1358 -8.9228 -8.9127 -1.7963 -1.7700 4.1570 4.1829 7.5308 7.5476 7.6136 7.6567 8.5007 8.5021 9.6586 9.6652 10.7257 10.7538 11.2404 11.2640 11.7727 11.8373 12.3844 12.4234 13.0738 13.1266 15.5334 15.5521 16.1076 16.1421 17.5214 17.5563 k = 0.0000 0.5211 0.3549 ( 1724 PWs) bands (ev): -29.3063 -29.3063 -10.4629 -10.4489 -9.1696 -9.1421 -8.9214 -8.9120 -1.7956 -1.7704 4.1791 4.2039 7.5236 7.5405 7.5832 7.6260 8.4844 8.4860 9.6718 9.6777 10.7260 10.7519 11.2314 11.2510 11.8015 11.8661 12.3832 12.4199 13.0401 13.0936 15.5724 15.5903 16.1316 16.1652 17.5576 17.5898 k = 0.0000 0.5211 0.3668 ( 1724 PWs) bands (ev): -29.3054 -29.3054 -10.4660 -10.4526 -9.1743 -9.1482 -8.9198 -8.9111 -1.7950 -1.7710 4.2008 4.2243 7.5101 7.5191 7.5685 7.6025 8.4687 8.4704 9.6849 9.6902 10.7266 10.7502 11.2222 11.2385 11.8310 11.8959 12.3819 12.4160 13.0071 13.0610 15.6101 15.6272 16.1548 16.1870 17.5945 17.6235 k = 0.0000 0.5211 0.3786 ( 1720 PWs) bands (ev): -29.3046 -29.3046 -10.4689 -10.4561 -9.1788 -9.1541 -8.9182 -8.9102 -1.7944 -1.7716 4.2220 4.2440 7.4873 7.4898 7.5647 7.5877 8.4538 8.4556 9.6978 9.7025 10.7272 10.7487 11.2130 11.2265 11.8609 11.9262 12.3806 12.4117 12.9747 13.0287 15.6464 15.6627 16.1765 16.2072 17.6318 17.6572 k = 0.0000 0.5211 0.3904 ( 1722 PWs) bands (ev): -29.3038 -29.3037 -10.4716 -10.4596 -9.1829 -9.1598 -8.9165 -8.9092 -1.7938 -1.7724 4.2424 4.2630 7.4551 7.4630 7.5639 7.5797 8.4398 8.4417 9.7103 9.7144 10.7280 10.7473 11.2038 11.2152 11.8909 11.9565 12.3794 12.4072 12.9430 12.9968 15.6812 15.6968 16.1963 16.2252 17.6691 17.6906 k = 0.0000 0.5211 0.4023 ( 1720 PWs) bands (ev): -29.3030 -29.3030 -10.4743 -10.4630 -9.1867 -9.1652 -8.9148 -8.9082 -1.7932 -1.7733 4.2619 4.2810 7.4234 7.4344 7.5640 7.5756 8.4267 8.4286 9.7223 9.7259 10.7288 10.7460 11.1951 11.2046 11.9208 11.9866 12.3783 12.4027 12.9123 12.9656 15.7145 15.7294 16.2140 16.2407 17.7059 17.7235 k = 0.0000 0.5211 0.4141 ( 1722 PWs) bands (ev): -29.3023 -29.3023 -10.4767 -10.4663 -9.1902 -9.1704 -8.9132 -8.9072 -1.7927 -1.7743 4.2805 4.2980 7.3934 7.4056 7.5643 7.5734 8.4147 8.4165 9.7337 9.7368 10.7295 10.7448 11.1867 11.1947 11.9503 12.0159 12.3775 12.3981 12.8827 12.9349 15.7463 15.7604 16.2290 16.2534 17.7417 17.7554 k = 0.0000 0.5211 0.4259 ( 1726 PWs) bands (ev): -29.3016 -29.3016 -10.4789 -10.4694 -9.1932 -9.1752 -8.9116 -8.9063 -1.7921 -1.7753 4.2979 4.3138 7.3654 7.3778 7.5648 7.5721 8.4037 8.4055 9.7444 9.7471 10.7303 10.7436 11.1789 11.1857 11.9791 12.0440 12.3769 12.3938 12.8544 12.9050 15.7764 15.7896 16.2413 16.2633 17.7757 17.7863 k = 0.0000 0.5211 0.4378 ( 1724 PWs) bands (ev): -29.3011 -29.3010 -10.4809 -10.4723 -9.1958 -9.1796 -8.9101 -8.9054 -1.7915 -1.7764 4.3141 4.3283 7.3398 7.3517 7.5653 7.5714 8.3939 8.3955 9.7543 9.7566 10.7310 10.7425 11.1719 11.1776 12.0071 12.0706 12.3767 12.3899 12.8279 12.8762 15.8049 15.8172 16.2508 16.2702 17.8072 17.8157 k = 0.0000 0.5211 0.4496 ( 1724 PWs) bands (ev): -29.3005 -29.3005 -10.4826 -10.4751 -9.1980 -9.1837 -8.9087 -8.9046 -1.7908 -1.7775 4.3288 4.3413 7.3167 7.3278 7.5658 7.5709 8.3852 8.3867 9.7633 9.7652 10.7317 10.7414 11.1656 11.1703 12.0338 12.0950 12.3768 12.3866 12.8032 12.8486 15.8315 15.8427 16.2576 16.2744 17.8356 17.8434 k = 0.0000 0.5211 0.4614 ( 1724 PWs) bands (ev): -29.3001 -29.3001 -10.4841 -10.4775 -9.1998 -9.1875 -8.9075 -8.9040 -1.7902 -1.7787 4.3420 4.3528 7.2964 7.3064 7.5663 7.5705 8.3777 8.3790 9.7712 9.7728 10.7323 10.7404 11.1600 11.1640 12.0590 12.1166 12.3772 12.3842 12.7808 12.8226 15.8560 15.8660 16.2618 16.2761 17.8606 17.8686 k = 0.0000 0.5211 0.4732 ( 1724 PWs) bands (ev): -29.2997 -29.2997 -10.4853 -10.4798 -9.2011 -9.1908 -8.9063 -8.9034 -1.7895 -1.7798 4.3536 4.3625 7.2791 7.2877 7.5667 7.5702 8.3713 8.3725 9.7781 9.7795 10.7329 10.7394 11.1554 11.1586 12.0824 12.1348 12.3778 12.3829 12.7612 12.7984 15.8781 15.8868 16.2640 16.2758 17.8822 17.8905 k = 0.0000 0.5211 0.4851 ( 1724 PWs) bands (ev): -29.2993 -29.2993 -10.4862 -10.4817 -9.2020 -9.1937 -8.9053 -8.9030 -1.7887 -1.7809 4.3633 4.3705 7.2649 7.2719 7.5672 7.5699 8.3662 8.3671 9.7838 9.7850 10.7335 10.7385 11.1516 11.1541 12.1036 12.1489 12.3787 12.3826 12.7449 12.7764 15.8974 15.9046 16.2647 16.2740 17.9006 17.9085 k = 0.0000 0.5211 0.4969 ( 1724 PWs) bands (ev): -29.2991 -29.2991 -10.4867 -10.4834 -9.2025 -9.1963 -8.9044 -8.9027 -1.7879 -1.7821 4.3712 4.3766 7.2539 7.2593 7.5676 7.5696 8.3622 8.3629 9.7884 9.7893 10.7340 10.7377 11.1487 11.1506 12.1222 12.1584 12.3798 12.3830 12.7325 12.7574 15.9135 15.9190 16.2644 16.2713 17.9154 17.9223 k = 0.0000 0.5211 0.5087 ( 1724 PWs) bands (ev): -29.2989 -29.2989 -10.4870 -10.4847 -9.2025 -9.1984 -8.9037 -8.9026 -1.7871 -1.7831 4.3772 4.3808 7.2463 7.2499 7.5679 7.5693 8.3594 8.3599 9.7918 9.7923 10.7345 10.7369 11.1468 11.1480 12.1379 12.1632 12.3811 12.3835 12.7245 12.7417 15.9257 15.9295 16.2639 16.2685 17.9267 17.9317 k = 0.0000 0.5211 0.5206 ( 1724 PWs) bands (ev): -29.2988 -29.2988 -10.4869 -10.4858 -9.2021 -9.2001 -8.9032 -8.9026 -1.7862 -1.7842 4.3812 4.3830 7.2421 7.2439 7.5683 7.5690 8.3578 8.3580 9.7938 9.7941 10.7350 10.7362 11.1457 11.1463 12.1502 12.1633 12.3824 12.3837 12.7213 12.7302 15.9337 15.9356 16.2638 16.2661 17.9341 17.9367 k = 0.0000 0.5211 0.5324 ( 1728 PWs) bands (ev): -29.2988 -29.2988 -10.4865 -10.4865 -9.2013 -9.2013 -8.9028 -8.9028 -1.7852 -1.7852 4.3831 4.3831 7.2412 7.2412 7.5686 7.5686 8.3573 8.3573 9.7946 9.7946 10.7356 10.7356 11.1454 11.1454 12.1588 12.1588 12.3834 12.3834 12.7233 12.7233 15.9371 15.9371 16.2644 16.2644 17.9375 17.9375 k = 0.0000 0.5211 0.5324 ( 1728 PWs) bands (ev): -29.2988 -29.2988 -10.4865 -10.4865 -9.2013 -9.2013 -8.9028 -8.9028 -1.7852 -1.7852 4.3831 4.3831 7.2412 7.2412 7.5686 7.5686 8.3573 8.3573 9.7946 9.7946 10.7356 10.7356 11.1454 11.1454 12.1588 12.1588 12.3834 12.3834 12.7233 12.7233 15.9371 15.9371 16.2644 16.2644 17.9375 17.9375 k = 0.0118 0.5211 0.5324 ( 1726 PWs) bands (ev): -29.2987 -29.2987 -10.4868 -10.4863 -9.2014 -9.2011 -8.9036 -8.9025 -1.7852 -1.7849 4.3825 4.3828 7.2407 7.2437 7.5673 7.5685 8.3548 8.3569 9.7976 9.7982 10.7289 10.7351 11.1450 11.1539 12.1571 12.1581 12.3807 12.3832 12.7229 12.7241 15.9344 15.9353 16.2633 16.2673 17.9370 17.9403 k = 0.0236 0.5211 0.5324 ( 1724 PWs) bands (ev): -29.2987 -29.2987 -10.4870 -10.4861 -9.2014 -9.2007 -8.9048 -8.9026 -1.7850 -1.7844 4.3812 4.3818 7.2419 7.2480 7.5645 7.5670 8.3496 8.3537 9.8069 9.8082 10.7157 10.7275 11.1524 11.1695 12.1528 12.1550 12.3754 12.3802 12.7229 12.7255 15.9273 15.9292 16.2640 16.2719 17.9390 17.9455 k = 0.0355 0.5211 0.5324 ( 1722 PWs) bands (ev): -29.2986 -29.2986 -10.4874 -10.4859 -9.2013 -9.2003 -8.9064 -8.9031 -1.7845 -1.7836 4.3790 4.3800 7.2451 7.2542 7.5602 7.5640 8.3417 8.3478 9.8225 9.8243 10.6974 10.7136 11.1667 11.1909 12.1458 12.1494 12.3678 12.3745 12.7234 12.7273 15.9160 15.9188 16.2664 16.2781 17.9432 17.9528 k = 0.0473 0.5211 0.5324 ( 1716 PWs) bands (ev): -29.2985 -29.2985 -10.4877 -10.4857 -9.2011 -9.1997 -8.9084 -8.9040 -1.7837 -1.7826 4.3761 4.3775 7.2500 7.2622 7.5545 7.5595 8.3316 8.3396 9.8440 9.8463 10.6754 10.6947 11.1869 11.2168 12.1354 12.1408 12.3587 12.3668 12.7244 12.7297 15.9006 15.9043 16.2706 16.2860 17.9497 17.9623 k = 0.0591 0.5211 0.5324 ( 1716 PWs) bands (ev): -29.2984 -29.2984 -10.4880 -10.4856 -9.2007 -9.1990 -8.9108 -8.9053 -1.7828 -1.7813 4.3726 4.3742 7.2566 7.2719 7.5473 7.5536 8.3194 8.3292 9.8709 9.8736 10.6507 10.6721 11.2112 11.2459 12.1212 12.1289 12.3487 12.3575 12.7259 12.7326 15.8815 15.8861 16.2765 16.2952 17.9582 17.9735 k = 0.0709 0.5211 0.5324 ( 1712 PWs) bands (ev): -29.2982 -29.2982 -10.4884 -10.4855 -9.2002 -9.1982 -8.9136 -8.9070 -1.7816 -1.7798 4.3684 4.3704 7.2649 7.2833 7.5387 7.5461 8.3057 8.3171 9.9028 9.9059 10.6245 10.6471 11.2388 11.2774 12.1028 12.1132 12.3385 12.3474 12.7278 12.7362 15.8589 15.8643 16.2839 16.3059 17.9686 17.9864 k = 0.0827 0.5211 0.5324 ( 1710 PWs) bands (ev): -29.2980 -29.2980 -10.4888 -10.4854 -9.1997 -9.1973 -8.9168 -8.9091 -1.7802 -1.7781 4.3637 4.3660 7.2747 7.2962 7.5286 7.5373 8.2908 8.3037 9.9392 9.9425 10.5973 10.6206 11.2686 11.3105 12.0797 12.0931 12.3290 12.3372 12.7304 12.7403 15.8332 15.8394 16.2930 16.3178 17.9805 18.0008 k = 0.0946 0.5211 0.5324 ( 1712 PWs) bands (ev): -29.2978 -29.2978 -10.4893 -10.4854 -9.1990 -9.1963 -8.9203 -8.9116 -1.7786 -1.7763 4.3585 4.3611 7.2859 7.3105 7.5170 7.5269 8.2751 8.2894 9.9794 9.9830 10.5697 10.5934 11.2997 11.3445 12.0517 12.0685 12.3204 12.3276 12.7334 12.7450 15.8048 15.8118 16.3035 16.3309 17.9939 18.0162 k = 0.1064 0.5211 0.5324 ( 1712 PWs) bands (ev): -29.2975 -29.2975 -10.4897 -10.4854 -9.1983 -9.1952 -8.9241 -8.9144 -1.7768 -1.7742 4.3529 4.3559 7.2983 7.3261 7.5039 7.5151 8.2590 8.2746 10.0230 10.0266 10.5423 10.5661 11.3318 11.3791 12.0192 12.0393 12.3131 12.3189 12.7371 12.7505 15.7741 15.7818 16.3154 16.3450 18.0084 18.0326 k = 0.1182 0.5211 0.5324 ( 1712 PWs) bands (ev): -29.2972 -29.2972 -10.4902 -10.4855 -9.1975 -9.1941 -8.9281 -8.9175 -1.7748 -1.7720 4.3472 4.3504 7.3118 7.3428 7.4894 7.5019 8.2428 8.2595 10.0693 10.0730 10.5153 10.5390 11.3642 11.4140 11.9824 12.0057 12.3070 12.3114 12.7415 12.7567 15.7416 15.7500 16.3287 16.3602 18.0238 18.0496 k = 0.1300 0.5211 0.5324 ( 1718 PWs) bands (ev): -29.2969 -29.2969 -10.4907 -10.4856 -9.1966 -9.1928 -8.9324 -8.9208 -1.7727 -1.7697 4.3412 4.3448 7.3259 7.3603 7.4735 7.4875 8.2269 8.2446 10.1177 10.1216 10.4889 10.5125 11.3966 11.4486 11.9419 11.9682 12.3021 12.3049 12.7465 12.7636 15.7074 15.7166 16.3433 16.3763 18.0397 18.0671 k = 0.1419 0.5211 0.5324 ( 1718 PWs) bands (ev): -29.2966 -29.2966 -10.4912 -10.4857 -9.1956 -9.1916 -8.9370 -8.9245 -1.7705 -1.7672 4.3353 4.3391 7.3404 7.3785 7.4564 7.4721 8.2115 8.2300 10.1678 10.1717 10.4636 10.4871 11.4288 11.4829 11.8984 11.9271 12.2982 12.2996 12.7523 12.7714 15.6722 15.6821 16.3591 16.3934 18.0560 18.0847 k = 0.1537 0.5211 0.5324 ( 1718 PWs) bands (ev): -29.2963 -29.2963 -10.4918 -10.4859 -9.1946 -9.1902 -8.9417 -8.9283 -1.7682 -1.7647 4.3295 4.3336 7.3544 7.3963 7.4387 7.4563 8.1969 8.2161 10.2187 10.2228 10.4396 10.4631 11.4605 11.5167 11.8524 11.8833 12.2951 12.2952 12.7588 12.7800 15.6362 15.6468 16.3762 16.4114 18.0722 18.1021 k = 0.1655 0.5211 0.5324 ( 1722 PWs) bands (ev): -29.2959 -29.2959 -10.4924 -10.4861 -9.1936 -9.1889 -8.9465 -8.9323 -1.7658 -1.7621 4.3240 4.3284 7.3660 7.4058 7.4283 7.4418 8.1833 8.2030 10.2697 10.2744 10.4170 10.4410 11.4913 11.5496 11.8047 11.8373 12.2915 12.2926 12.7661 12.7894 15.5999 15.6113 16.3945 16.4304 18.0882 18.1191 k = 0.1773 0.5211 0.5324 ( 1724 PWs) bands (ev): -29.2956 -29.2956 -10.4930 -10.4864 -9.1925 -9.1875 -8.9515 -8.9365 -1.7634 -1.7595 4.3189 4.3235 7.3705 7.3903 7.4331 7.4417 8.1707 8.1909 10.3189 10.3252 10.3968 10.4224 11.5208 11.5815 11.7562 11.7899 12.2885 12.2907 12.7741 12.7996 15.5635 15.5757 16.4140 16.4503 18.1033 18.1353 k = 0.1891 0.5211 0.5324 ( 1718 PWs) bands (ev): -29.2952 -29.2952 -10.4935 -10.4867 -9.1914 -9.1861 -8.9565 -8.9407 -1.7609 -1.7569 4.3143 4.3192 7.3625 7.3678 7.4357 7.4607 8.1595 8.1799 10.3582 10.3638 10.3899 10.4149 11.5482 11.6121 11.7084 11.7420 12.2859 12.2893 12.7828 12.8106 15.5274 15.5405 16.4349 16.4712 18.1174 18.1503 k = 0.2010 0.5211 0.5324 ( 1710 PWs) bands (ev): -29.2948 -29.2948 -10.4942 -10.4870 -9.1903 -9.1848 -8.9615 -8.9450 -1.7585 -1.7542 4.3103 4.3155 7.3432 7.3445 7.4466 7.4802 8.1495 8.1701 10.3543 10.3644 10.4318 10.4413 11.5702 11.6395 11.6648 11.6958 12.2838 12.2881 12.7922 12.8223 15.4919 15.5059 16.4570 16.4933 18.1299 18.1637 k = 0.2128 0.5211 0.5324 ( 1712 PWs) bands (ev): -29.2944 -29.2944 -10.4948 -10.4874 -9.1893 -9.1834 -8.9665 -8.9494 -1.7560 -1.7516 4.3071 4.3125 7.3170 7.3215 7.4610 7.4995 8.1408 8.1616 10.3390 10.3532 10.4795 10.4853 11.5718 11.6366 11.6410 11.6789 12.2820 12.2872 12.8021 12.8346 15.4574 15.4723 16.4804 16.5164 18.1403 18.1749 k = 0.2246 0.5211 0.5324 ( 1708 PWs) bands (ev): -29.2940 -29.2940 -10.4954 -10.4878 -9.1882 -9.1821 -8.9714 -8.9538 -1.7536 -1.7491 4.3049 4.3105 7.2893 7.2955 7.4764 7.5185 8.1336 8.1543 10.3250 10.3403 10.5255 10.5306 11.5401 11.5937 11.6507 11.7022 12.2805 12.2865 12.8124 12.8474 15.4241 15.4400 16.5052 16.5407 18.1483 18.1835 k = 0.2364 0.5211 0.5324 ( 1708 PWs) bands (ev): -29.2936 -29.2936 -10.4961 -10.4882 -9.1872 -9.1809 -8.9762 -8.9581 -1.7513 -1.7467 4.3037 4.3095 7.2603 7.2675 7.4919 7.5367 8.1276 8.1483 10.3127 10.3285 10.5685 10.5737 11.4986 11.5495 11.6713 11.7273 12.2791 12.2859 12.8230 12.8604 15.3924 15.4093 16.5313 16.5663 18.1534 18.1890 k = 0.2482 0.5211 0.5324 ( 1710 PWs) bands (ev): -29.2932 -29.2932 -10.4968 -10.4887 -9.1862 -9.1798 -8.9810 -8.9624 -1.7491 -1.7444 4.3036 4.3096 7.2301 7.2379 7.5071 7.5540 8.1231 8.1435 10.3024 10.3184 10.6074 10.6131 11.4575 11.5078 11.6934 11.7516 12.2779 12.2854 12.8336 12.8735 15.3625 15.3804 16.5588 16.5931 18.1555 18.1914 k = 0.2601 0.5211 0.5324 ( 1710 PWs) bands (ev): -29.2928 -29.2928 -10.4974 -10.4893 -9.1853 -9.1787 -8.9855 -8.9665 -1.7470 -1.7422 4.3048 4.3110 7.1987 7.2068 7.5216 7.5702 8.1198 8.1400 10.2941 10.3102 10.6412 10.6475 11.4200 11.4703 11.7152 11.7746 12.2769 12.2850 12.8441 12.8863 15.3347 15.3536 16.5877 16.6211 18.1546 18.1906 k = 0.2719 0.5211 0.5324 ( 1710 PWs) bands (ev): -29.2924 -29.2924 -10.4981 -10.4898 -9.1845 -9.1777 -8.9898 -8.9706 -1.7450 -1.7401 4.3074 4.3137 7.1663 7.1746 7.5353 7.5852 8.1177 8.1377 10.2877 10.3039 10.6687 10.6755 11.3878 11.4381 11.7362 11.7963 12.2761 12.2847 12.8541 12.8987 15.3093 15.3290 16.6179 16.6505 18.1509 18.1868 k = 0.2837 0.5211 0.5324 ( 1710 PWs) bands (ev): -29.2920 -29.2920 -10.4987 -10.4904 -9.1838 -9.1769 -8.9938 -8.9744 -1.7431 -1.7382 4.3114 4.3179 7.1329 7.1412 7.5478 7.5989 8.1169 8.1365 10.2834 10.2997 10.6888 10.6959 11.3624 11.4125 11.7563 11.8168 12.2753 12.2844 12.8635 12.9102 15.2864 15.3070 16.6494 16.6810 18.1445 18.1801 k = 0.2955 0.5211 0.5324 ( 1714 PWs) bands (ev): -29.2916 -29.2916 -10.4994 -10.4910 -9.1831 -9.1762 -8.9976 -8.9781 -1.7415 -1.7365 4.3169 4.3235 7.0986 7.1069 7.5592 7.6111 8.1171 8.1363 10.2811 10.2975 10.7006 10.7074 11.3451 11.3945 11.7754 11.8361 12.2746 12.2841 12.8719 12.9206 15.2662 15.2875 16.6820 16.7126 18.1357 18.1711 k = 0.3073 0.5211 0.5324 ( 1718 PWs) bands (ev): -29.2912 -29.2912 -10.5000 -10.4916 -9.1826 -9.1756 -9.0011 -8.9815 -1.7399 -1.7350 4.3240 4.3307 7.0636 7.0718 7.5693 7.6217 8.1183 8.1372 10.2806 10.2971 10.7035 10.7096 11.3366 11.3847 11.7936 11.8542 12.2740 12.2839 12.8790 12.9294 15.2487 15.2707 16.7155 16.7453 18.1251 18.1600 k = 0.3192 0.5211 0.5324 ( 1712 PWs) bands (ev): -29.2909 -29.2909 -10.5006 -10.4922 -9.1821 -9.1751 -9.0043 -8.9847 -1.7386 -1.7336 4.3327 4.3395 7.0281 7.0361 7.5781 7.6307 8.1204 8.1389 10.2820 10.2986 10.6979 10.7030 11.3366 11.3829 11.8110 11.8713 12.2736 12.2837 12.8847 12.9366 15.2342 15.2566 16.7499 16.7787 18.1130 18.1473 k = 0.3310 0.5211 0.5324 ( 1710 PWs) bands (ev): -29.2905 -29.2905 -10.5012 -10.4928 -9.1818 -9.1748 -9.0071 -8.9877 -1.7374 -1.7325 4.3430 4.3499 6.9920 6.9998 7.5854 7.6381 8.1233 8.1414 10.2850 10.3019 10.6846 10.6883 11.3441 11.3883 11.8275 11.8874 12.2733 12.2836 12.8886 12.9417 15.2224 15.2451 16.7848 16.8126 18.0997 18.1333 k = 0.3428 0.5211 0.5324 ( 1710 PWs) bands (ev): -29.2902 -29.2902 -10.5017 -10.4934 -9.1815 -9.1747 -9.0096 -8.9903 -1.7365 -1.7316 4.3551 4.3620 6.9556 6.9632 7.5913 7.6437 8.1269 8.1446 10.2897 10.3067 10.6649 10.6672 11.3577 11.3998 11.8433 11.9026 12.2730 12.2835 12.8906 12.9446 15.2133 15.2360 16.8198 16.8468 18.0858 18.1185 k = 0.3546 0.5211 0.5324 ( 1708 PWs) bands (ev): -29.2899 -29.2899 -10.5022 -10.4940 -9.1814 -9.1747 -9.0117 -8.9927 -1.7357 -1.7308 4.3688 4.3758 6.9190 6.9263 7.5957 7.6477 8.1311 8.1484 10.2958 10.3129 10.6404 10.6415 11.3758 11.4158 11.8585 11.9171 12.2729 12.2834 12.8905 12.9450 15.2066 15.2291 16.8546 16.8808 18.0717 18.1035 k = 0.3665 0.5211 0.5324 ( 1706 PWs) bands (ev): -29.2896 -29.2896 -10.5027 -10.4946 -9.1813 -9.1748 -9.0134 -8.9948 -1.7351 -1.7303 4.3842 4.3912 6.8823 6.8893 7.5987 7.6499 8.1359 8.1527 10.3032 10.3204 10.6124 10.6126 11.3969 11.4350 11.8730 11.9307 12.2730 12.2835 12.8884 12.9429 15.2019 15.2239 16.8886 16.9141 18.0580 18.0886 k = 0.3783 0.5211 0.5324 ( 1708 PWs) bands (ev): -29.2894 -29.2894 -10.5031 -10.4952 -9.1813 -9.1750 -9.0148 -8.9967 -1.7347 -1.7300 4.4012 4.4083 6.8457 6.8525 7.6002 7.6505 8.1409 8.1573 10.3116 10.3288 10.5818 10.5822 11.4200 11.4564 11.8870 11.9437 12.2732 12.2836 12.8842 12.9384 15.1986 15.2200 16.9213 16.9461 18.0451 18.0745 k = 0.3901 0.5211 0.5324 ( 1706 PWs) bands (ev): -29.2892 -29.2892 -10.5034 -10.4957 -9.1814 -9.1753 -9.0158 -8.9982 -1.7345 -1.7299 4.4199 4.4269 6.8094 6.8158 7.6003 7.6495 8.1463 8.1623 10.3210 10.3380 10.5502 10.5508 11.4440 11.4791 11.9004 11.9561 12.2737 12.2839 12.8780 12.9314 15.1963 15.2168 16.9520 16.9761 18.0338 18.0617 k = 0.3901 0.5211 0.5324 ( 1706 PWs) bands (ev): -29.2892 -29.2892 -10.5034 -10.4957 -9.1814 -9.1753 -9.0158 -8.9982 -1.7345 -1.7299 4.4199 4.4269 6.8094 6.8158 7.6003 7.6495 8.1463 8.1623 10.3210 10.3380 10.5502 10.5508 11.4440 11.4791 11.9004 11.9561 12.2737 12.2839 12.8780 12.9314 15.1963 15.2168 16.9520 16.9761 18.0338 18.0617 k = 0.3830 0.5116 0.5324 ( 1706 PWs) bands (ev): -29.2895 -29.2895 -10.5029 -10.4948 -9.1812 -9.1747 -9.0143 -8.9958 -1.7347 -1.7300 4.3885 4.3955 6.8694 6.8763 7.6010 7.6520 8.1368 8.1534 10.3050 10.3222 10.6050 10.6054 11.4028 11.4400 11.8781 11.9355 12.2728 12.2834 12.8890 12.9438 15.2013 15.2234 16.9026 16.9277 18.0532 18.0838 k = 0.3759 0.5022 0.5324 ( 1702 PWs) bands (ev): -29.2899 -29.2899 -10.5022 -10.4939 -9.1810 -9.1741 -9.0125 -8.9933 -1.7350 -1.7301 4.3592 4.3662 6.9284 6.9358 7.6008 7.6536 8.1266 8.1439 10.2895 10.3067 10.6633 10.6635 11.3602 11.3996 11.8550 11.9139 12.2723 12.2831 12.8979 12.9537 15.2097 15.2332 16.8528 16.8789 18.0770 18.1102 k = 0.3688 0.4927 0.5324 ( 1702 PWs) bands (ev): -29.2903 -29.2903 -10.5016 -10.4930 -9.1808 -9.1736 -9.0106 -8.9906 -1.7353 -1.7303 4.3323 4.3393 6.9862 6.9940 7.5998 7.6539 8.1156 8.1336 10.2749 10.2919 10.7241 10.7251 11.3165 11.3583 11.8314 11.8914 12.2719 12.2829 12.9043 12.9608 15.2220 15.2469 16.8028 16.8297 18.1047 18.1408 k = 0.3617 0.4832 0.5324 ( 1710 PWs) bands (ev): -29.2907 -29.2907 -10.5009 -10.4921 -9.1806 -9.1731 -9.0084 -8.9878 -1.7357 -1.7305 4.3078 4.3147 7.0427 7.0508 7.5978 7.6529 8.1040 8.1225 10.2612 10.2780 10.7873 10.7895 11.2717 11.3164 11.8072 11.8681 12.2717 12.2829 12.9078 12.9646 15.2388 15.2647 16.7525 16.7804 18.1362 18.1754 k = 0.3546 0.4737 0.5324 ( 1710 PWs) bands (ev): -29.2911 -29.2911 -10.5002 -10.4912 -9.1805 -9.1727 -9.0060 -8.9848 -1.7361 -1.7308 4.2858 4.2926 7.0976 7.1060 7.5946 7.6505 8.0916 8.1106 10.2488 10.2654 10.8526 10.8568 11.2264 11.2746 11.7827 11.8442 12.2719 12.2832 12.9083 12.9651 15.2605 15.2872 16.7022 16.7311 18.1713 18.2138 k = 0.3475 0.4643 0.5324 ( 1710 PWs) bands (ev): -29.2915 -29.2915 -10.4995 -10.4903 -9.1803 -9.1723 -9.0035 -8.9817 -1.7366 -1.7312 4.2664 4.2730 7.1510 7.1594 7.5902 7.6464 8.0785 8.0980 10.2377 10.2539 10.9183 10.9264 11.1808 11.2342 11.7579 11.8196 12.2725 12.2839 12.9055 12.9620 15.2873 15.3147 16.6518 16.6816 18.2094 18.2558 k = 0.3404 0.4548 0.5324 ( 1718 PWs) bands (ev): -29.2920 -29.2920 -10.4987 -10.4894 -9.1802 -9.1719 -9.0007 -8.9785 -1.7371 -1.7317 4.2497 4.2561 7.2026 7.2108 7.5845 7.6407 8.0647 8.0846 10.2280 10.2439 10.9810 10.9970 11.1358 11.1986 11.7330 11.7946 12.2735 12.2849 12.8994 12.9552 15.3196 15.3475 16.6014 16.6322 18.2494 18.3007 k = 0.3334 0.4453 0.5324 ( 1714 PWs) bands (ev): -29.2924 -29.2924 -10.4979 -10.4885 -9.1802 -9.1716 -8.9976 -8.9751 -1.7377 -1.7322 4.2357 4.2419 7.2524 7.2603 7.5775 7.6331 8.0502 8.0705 10.2198 10.2354 11.0287 11.0570 11.1036 11.1799 11.7081 11.7692 12.2751 12.2865 12.8900 12.9448 15.3575 15.3856 16.5509 16.5828 18.2887 18.3473 k = 0.3263 0.4358 0.5324 ( 1710 PWs) bands (ev): -29.2929 -29.2929 -10.4971 -10.4876 -9.1801 -9.1714 -8.9944 -8.9715 -1.7383 -1.7328 4.2243 4.2304 7.3003 7.3074 7.5692 7.6237 8.0351 8.0557 10.2133 10.2284 11.0338 11.0360 11.1561 11.2033 11.6834 11.7437 12.2772 12.2887 12.8772 12.9310 15.4011 15.4292 16.5004 16.5334 18.3168 18.3740 k = 0.3192 0.4264 0.5324 ( 1722 PWs) bands (ev): -29.2934 -29.2934 -10.4962 -10.4868 -9.1801 -9.1712 -8.9910 -8.9679 -1.7390 -1.7335 4.2157 4.2215 7.3463 7.3519 7.5599 7.6124 8.0192 8.0401 10.2083 10.2230 10.9892 11.0092 11.2311 11.2617 11.6589 11.7179 12.2799 12.2913 12.8613 12.9139 15.4501 15.4781 16.4499 16.4840 18.3128 18.3452 k = 0.3121 0.4169 0.5324 ( 1724 PWs) bands (ev): -29.2939 -29.2939 -10.4954 -10.4859 -9.1801 -9.1711 -8.9873 -8.9641 -1.7397 -1.7342 4.2099 4.2154 7.3903 7.3933 7.5501 7.5991 8.0027 8.0238 10.2049 10.2191 10.9436 10.9713 11.3084 11.3326 11.6349 11.6923 12.2837 12.2950 12.8424 12.8938 15.5046 15.5324 16.3992 16.4346 18.2848 18.3071 k = 0.3050 0.4074 0.5324 ( 1712 PWs) bands (ev): -29.2944 -29.2944 -10.4945 -10.4851 -9.1802 -9.1710 -8.9835 -8.9601 -1.7404 -1.7349 4.2067 4.2120 7.4297 7.4322 7.5414 7.5839 7.9857 8.0069 10.2032 10.2169 10.8984 10.9301 11.3862 11.4075 11.6117 11.6671 12.2887 12.2998 12.8209 12.8710 15.5643 15.5917 16.3485 16.3852 18.2480 18.2658 k = 0.2979 0.3979 0.5324 ( 1712 PWs) bands (ev): -29.2950 -29.2950 -10.4936 -10.4842 -9.1802 -9.1710 -8.9794 -8.9561 -1.7411 -1.7356 4.2063 4.2112 7.4563 7.4721 7.5387 7.5668 7.9681 7.9894 10.2029 10.2160 10.8538 10.8880 11.4629 11.4828 11.5900 11.6428 12.2950 12.3059 12.7971 12.8459 15.6288 15.6559 16.2976 16.3357 18.2068 18.2217 k = 0.2908 0.3885 0.5324 ( 1708 PWs) bands (ev): -29.2955 -29.2955 -10.4927 -10.4834 -9.1803 -9.1711 -8.9752 -8.9519 -1.7418 -1.7364 4.2084 4.2130 7.4645 7.5093 7.5482 7.5506 7.9499 7.9712 10.2040 10.2164 10.8101 10.8461 11.5314 11.5532 11.5762 11.6236 12.3031 12.3136 12.7713 12.8189 15.6977 15.7246 16.2465 16.2862 18.1622 18.1751 k = 0.2837 0.3790 0.5324 ( 1708 PWs) bands (ev): -29.2960 -29.2960 -10.4918 -10.4827 -9.1804 -9.1712 -8.9708 -8.9476 -1.7425 -1.7371 4.2132 4.2174 7.4560 7.5240 7.5484 7.5753 7.9311 7.9524 10.2065 10.2181 10.7676 10.8047 11.5381 11.5780 11.6234 11.6490 12.3134 12.3234 12.7437 12.7904 15.7708 15.7974 16.1952 16.2364 18.1146 18.1256 k = 0.2766 0.3695 0.5324 ( 1708 PWs) bands (ev): -29.2966 -29.2966 -10.4910 -10.4819 -9.1806 -9.1713 -8.9663 -8.9433 -1.7432 -1.7379 4.2205 4.2244 7.4397 7.5024 7.5808 7.6041 7.9119 7.9331 10.2102 10.2209 10.7265 10.7645 11.5200 11.5595 11.6935 11.7157 12.3266 12.3359 12.7149 12.7607 15.8475 15.8738 16.1435 16.1865 18.0639 18.0732 k = 0.2695 0.3600 0.5324 ( 1716 PWs) bands (ev): -29.2972 -29.2972 -10.4901 -10.4812 -9.1807 -9.1715 -8.9616 -8.9388 -1.7439 -1.7386 4.2303 4.2338 7.4194 7.4780 7.6122 7.6331 7.8921 7.9132 10.2149 10.2245 10.6869 10.7256 11.5013 11.5368 11.7615 11.7831 12.3434 12.3517 12.6852 12.7305 15.9272 15.9534 16.0914 16.1363 18.0100 18.0177 k = 0.2624 0.3506 0.5324 ( 1712 PWs) bands (ev): -29.2977 -29.2977 -10.4892 -10.4805 -9.1809 -9.1717 -8.9567 -8.9342 -1.7445 -1.7393 4.2424 4.2456 7.3965 7.4517 7.6416 7.6609 7.8720 7.8929 10.2206 10.2289 10.6492 10.6883 11.4835 11.5142 11.8250 11.8464 12.3648 12.3718 12.6551 12.7000 16.0095 16.0354 16.0390 16.0860 17.9528 17.9588 k = 0.2553 0.3411 0.5324 ( 1716 PWs) bands (ev): -29.2983 -29.2983 -10.4884 -10.4799 -9.1810 -9.1720 -8.9517 -8.9296 -1.7450 -1.7400 4.2569 4.2596 7.3717 7.4239 7.6689 7.6871 7.8515 7.8722 10.2269 10.2337 10.6135 10.6529 11.4666 11.4919 11.8823 11.9034 12.3916 12.3967 12.6249 12.6699 15.9858 16.0346 16.0940 16.1203 17.8920 17.8962 k = 0.2482 0.3316 0.5324 ( 1720 PWs) bands (ev): -29.2989 -29.2989 -10.4876 -10.4793 -9.1812 -9.1722 -8.9466 -8.9249 -1.7455 -1.7406 4.2736 4.2759 7.3453 7.3947 7.6939 7.7115 7.8306 7.8513 10.2338 10.2389 10.5799 10.6194 11.4511 11.4703 11.9326 11.9530 12.4241 12.4272 12.5951 12.6408 15.9322 15.9835 16.1797 16.2059 17.8273 17.8299 k = 0.2412 0.3221 0.5324 ( 1724 PWs) bands (ev): -29.2995 -29.2995 -10.4868 -10.4787 -9.1814 -9.1725 -8.9414 -8.9202 -1.7459 -1.7412 4.2924 4.2943 7.3175 7.3642 7.7165 7.7338 7.8094 7.8302 10.2410 10.2442 10.5486 10.5881 11.4370 11.4497 11.9751 11.9947 12.4615 12.4629 12.5665 12.6140 15.8780 15.9317 16.2661 16.2924 17.7587 17.7597 k = 0.2341 0.3127 0.5324 ( 1724 PWs) bands (ev): -29.3001 -29.3001 -10.4860 -10.4782 -9.1815 -9.1728 -8.9361 -8.9154 -1.7462 -1.7416 4.3131 4.3147 7.2884 7.3325 7.7361 7.7540 7.7881 7.8097 10.2483 10.2494 10.5199 10.5592 11.4243 11.4300 12.0099 12.0287 12.4998 12.5009 12.5421 12.5933 15.8231 15.8794 16.3525 16.3789 17.6855 17.6861 k = 0.2270 0.3032 0.5324 ( 1720 PWs) bands (ev): -29.3007 -29.3007 -10.4853 -10.4777 -9.1817 -9.1732 -8.9307 -8.9105 -1.7465 -1.7420 4.3358 4.3370 7.2583 7.2999 7.7504 7.7651 7.7736 7.7921 10.2544 10.2557 10.4938 10.5329 11.4112 11.4129 12.0378 12.0559 12.5048 12.5215 12.5578 12.5954 15.7674 15.8265 16.4380 16.4646 17.6074 17.6093 k = 0.2199 0.2937 0.5324 ( 1720 PWs) bands (ev): -29.3012 -29.3012 -10.4846 -10.4772 -9.1818 -9.1735 -8.9253 -8.9056 -1.7466 -1.7423 4.3603 4.3610 7.2273 7.2664 7.7441 7.7494 7.7875 7.7889 10.2590 10.2627 10.4704 10.5092 11.3935 11.4028 12.0598 12.0776 12.4823 12.5125 12.6044 12.6329 15.7110 15.7730 16.5219 16.5486 17.5255 17.5287 k = 0.2128 0.2842 0.5324 ( 1720 PWs) bands (ev): -29.3018 -29.3018 -10.4839 -10.4768 -9.1820 -9.1738 -8.9198 -8.9008 -1.7467 -1.7425 4.3864 4.3867 7.1955 7.2322 7.7220 7.7324 7.7965 7.8030 10.2629 10.2692 10.4499 10.4882 11.3767 11.3938 12.0770 12.0948 12.4602 12.4943 12.6545 12.6834 15.6537 15.7188 16.6033 16.6301 17.4402 17.4444 k = 0.2057 0.2748 0.5324 ( 1720 PWs) bands (ev): -29.3024 -29.3024 -10.4832 -10.4764 -9.1821 -9.1742 -8.9143 -8.8959 -1.7466 -1.7426 4.4140 4.4140 7.1631 7.1974 7.6998 7.7112 7.8076 7.8151 10.2662 10.2752 10.4323 10.4700 11.3609 11.3858 12.0905 12.1088 12.4402 12.4759 12.7053 12.7368 15.5955 15.6638 16.6812 16.7080 17.3517 17.3568 k = 0.1986 0.2653 0.5324 ( 1728 PWs) bands (ev): -29.3030 -29.3030 -10.4826 -10.4761 -9.1823 -9.1745 -8.9088 -8.8910 -1.7464 -1.7426 4.4425 4.4430 7.1302 7.1622 7.6775 7.6887 7.8178 7.8252 10.2686 10.2804 10.4176 10.4547 11.3460 11.3785 12.1011 12.1201 12.4230 12.4592 12.7553 12.7902 15.5364 15.6081 16.7547 16.7813 17.2605 17.2662 k = 0.1915 0.2558 0.5324 ( 1720 PWs) bands (ev): -29.3036 -29.3036 -10.4821 -10.4758 -9.1823 -9.1749 -8.9033 -8.8861 -1.7461 -1.7424 4.4724 4.4732 7.0970 7.1268 7.6552 7.6659 7.8264 7.8335 10.2704 10.2849 10.4061 10.4423 11.3319 11.3718 12.1097 12.1298 12.4091 12.4453 12.8037 12.8424 15.4765 15.5516 16.8231 16.8493 17.1671 17.1732 k = 0.1844 0.2463 0.5324 ( 1716 PWs) bands (ev): -29.3041 -29.3041 -10.4815 -10.4756 -9.1824 -9.1752 -8.8978 -8.8813 -1.7457 -1.7422 4.5033 4.5045 7.0636 7.0913 7.6328 7.6429 7.8333 7.8400 10.2712 10.2885 10.3975 10.4328 11.3185 11.3653 12.1167 12.1380 12.3987 12.4346 12.8499 12.8926 15.4156 15.4941 16.8851 16.9107 17.0722 17.0784 k = 0.1773 0.2369 0.5324 ( 1712 PWs) bands (ev): -29.3047 -29.3047 -10.4810 -10.4754 -9.1825 -9.1755 -8.8923 -8.8765 -1.7452 -1.7418 4.5352 4.5367 7.0302 7.0558 7.6104 7.6197 7.8386 7.8447 10.2713 10.2912 10.3918 10.4261 11.3056 11.3587 12.1228 12.1451 12.3919 12.4273 12.8934 12.9401 15.3538 15.4358 16.9358 16.9581 16.9806 16.9894 k = 0.1702 0.2274 0.5324 ( 1712 PWs) bands (ev): -29.3052 -29.3052 -10.4806 -10.4752 -9.1825 -9.1758 -8.8869 -8.8718 -1.7446 -1.7414 4.5678 4.5697 6.9968 7.0204 7.5881 7.5966 7.8422 7.8477 10.2705 10.2928 10.3891 10.4221 11.2931 11.3518 12.1282 12.1514 12.3890 12.4238 12.9338 12.9846 15.2911 15.3767 16.8734 16.8806 16.9942 17.0170 k = 0.1631 0.2179 0.5324 ( 1712 PWs) bands (ev): -29.3057 -29.3057 -10.4802 -10.4751 -9.1825 -9.1761 -8.8816 -8.8672 -1.7438 -1.7408 4.6010 4.6032 6.9636 6.9854 7.5659 7.5735 7.8444 7.8493 10.2690 10.2935 10.3891 10.4209 11.2809 11.3443 12.1333 12.1570 12.3901 12.4241 12.9709 13.0259 15.2276 15.3167 16.7758 16.7824 17.0354 17.0574 k = 0.1560 0.2084 0.5324 ( 1716 PWs) bands (ev): -29.3063 -29.3063 -10.4798 -10.4750 -9.1825 -9.1764 -8.8763 -8.8626 -1.7430 -1.7402 4.6347 4.6372 6.9308 6.9508 7.5438 7.5505 7.8452 7.8494 10.2668 10.2933 10.3918 10.4222 11.2689 11.3360 12.1383 12.1621 12.3951 12.4284 13.0046 13.0638 15.1633 15.2558 16.6770 16.6832 17.0707 17.0913 k = 0.1489 0.1990 0.5324 ( 1724 PWs) bands (ev): -29.3068 -29.3068 -10.4795 -10.4749 -9.1825 -9.1767 -8.8711 -8.8582 -1.7422 -1.7395 4.6687 4.6714 6.8985 6.9167 7.5220 7.5277 7.8447 7.8484 10.2640 10.2923 10.3970 10.4260 11.2569 11.3268 12.1432 12.1666 12.4041 12.4367 13.0350 13.0983 15.0984 15.1941 16.5781 16.5839 17.0997 17.1187 k = 0.1419 0.1895 0.5324 ( 1720 PWs) bands (ev): -29.3073 -29.3073 -10.4792 -10.4749 -9.1825 -9.1769 -8.8661 -8.8538 -1.7412 -1.7386 4.7028 4.7058 6.8668 6.8834 7.5004 7.5052 7.8432 7.8462 10.2609 10.2905 10.4046 10.4321 11.2452 11.3168 12.1484 12.1710 12.4171 12.4490 13.0622 13.1295 15.0330 15.1318 16.4796 16.4850 17.1229 17.1403 k = 0.1348 0.1800 0.5324 ( 1716 PWs) bands (ev): -29.3078 -29.3078 -10.4789 -10.4749 -9.1824 -9.1771 -8.8611 -8.8496 -1.7401 -1.7377 4.7368 4.7400 6.8358 6.8509 7.4791 7.4831 7.8407 7.8432 10.2574 10.2880 10.4143 10.4402 11.2335 11.3059 12.1536 12.1750 12.4339 12.4650 13.0863 13.1576 14.9673 15.0689 16.3817 16.3866 17.1408 17.1566 k = 0.1277 0.1705 0.5324 ( 1716 PWs) bands (ev): -29.3082 -29.3082 -10.4787 -10.4750 -9.1823 -9.1773 -8.8564 -8.8455 -1.7390 -1.7368 4.7706 4.7740 6.8056 6.8193 7.4582 7.4613 7.8373 7.8393 10.2537 10.2849 10.4259 10.4502 11.2218 11.2942 12.1589 12.1788 12.4545 12.4847 13.1076 13.1826 14.9014 15.0056 16.2847 16.2892 17.1542 17.1684 k = 0.1206 0.1611 0.5324 ( 1716 PWs) bands (ev): -29.3087 -29.3087 -10.4785 -10.4750 -9.1822 -9.1775 -8.8517 -8.8415 -1.7378 -1.7358 4.8040 4.8075 6.7764 6.7888 7.4377 7.4401 7.8333 7.8348 10.2498 10.2814 10.4392 10.4619 11.2102 11.2817 12.1641 12.1825 12.4785 12.5076 13.1262 13.2048 14.8355 14.9420 16.1891 16.1932 17.1636 17.1764 k = 0.1135 0.1516 0.5324 ( 1712 PWs) bands (ev): -29.3091 -29.3091 -10.4783 -10.4751 -9.1821 -9.1777 -8.8473 -8.8377 -1.7366 -1.7347 4.8368 4.8405 6.7482 6.7594 7.4177 7.4194 7.8287 7.8298 10.2459 10.2775 10.4539 10.4750 11.1988 11.2687 12.1694 12.1861 12.5057 12.5336 13.1426 13.2243 14.7700 14.8783 16.0952 16.0987 17.1699 17.1813 k = 0.1064 0.1421 0.5324 ( 1716 PWs) bands (ev): -29.3095 -29.3095 -10.4782 -10.4752 -9.1820 -9.1779 -8.8430 -8.8341 -1.7354 -1.7336 4.8688 4.8725 6.7212 6.7312 7.3983 7.3993 7.8238 7.8245 10.2420 10.2732 10.4698 10.4892 11.1876 11.2552 12.1744 12.1896 12.5356 12.5622 13.1569 13.2415 14.7050 14.8147 16.0032 16.0063 17.1735 17.1837 k = 0.0993 0.1326 0.5324 ( 1716 PWs) bands (ev): -29.3099 -29.3099 -10.4781 -10.4753 -9.1818 -9.1780 -8.8389 -8.8307 -1.7342 -1.7325 4.8999 4.9036 6.6955 6.7044 7.3795 7.3799 7.8186 7.8189 10.2382 10.2687 10.4865 10.5042 11.1767 11.2415 12.1794 12.1930 12.5680 12.5929 13.1697 13.2566 14.6411 14.7516 15.9135 15.9162 17.1751 17.1840 k = 0.0922 0.1232 0.5324 ( 1712 PWs) bands (ev): -29.3102 -29.3102 -10.4780 -10.4755 -9.1817 -9.1781 -8.8350 -8.8275 -1.7330 -1.7314 4.9298 4.9336 6.6711 6.6791 7.3614 7.3615 7.8132 7.8133 10.2346 10.2641 10.5039 10.5199 11.1662 11.2278 12.1843 12.1965 12.6022 12.6255 13.1813 13.2700 14.5785 14.6892 15.8265 15.8288 17.1750 17.1829 k = 0.0851 0.1137 0.5324 ( 1712 PWs) bands (ev): -29.3106 -29.3106 -10.4779 -10.4756 -9.1815 -9.1782 -8.8314 -8.8245 -1.7318 -1.7304 4.9585 4.9622 6.6482 6.6553 7.3438 7.3443 7.8076 7.8078 10.2311 10.2594 10.5215 10.5360 11.1562 11.2142 12.1890 12.1998 12.6378 12.6593 13.1919 13.2816 14.5177 14.6278 15.7426 15.7445 17.1737 17.1806 k = 0.0780 0.1042 0.5324 ( 1708 PWs) bands (ev): -29.3109 -29.3109 -10.4778 -10.4757 -9.1813 -9.1784 -8.8279 -8.8217 -1.7306 -1.7293 4.9856 4.9892 6.6268 6.6330 7.3271 7.3280 7.8021 7.8025 10.2280 10.2548 10.5392 10.5520 11.1470 11.2010 12.1935 12.2031 12.6741 12.6939 13.2020 13.2919 14.4591 14.5679 15.6623 15.6638 17.1715 17.1776 k = 0.0709 0.0947 0.5324 ( 1712 PWs) bands (ev): -29.3112 -29.3112 -10.4778 -10.4759 -9.1812 -9.1785 -8.8248 -8.8191 -1.7294 -1.7283 5.0111 5.0146 6.6070 6.6124 7.3115 7.3126 7.7967 7.7973 10.2252 10.2503 10.5565 10.5679 11.1383 11.1881 12.1978 12.2062 12.7107 12.7287 13.2117 13.3009 14.4033 14.5096 15.5858 15.5870 17.1688 17.1740 k = 0.0638 0.0853 0.5324 ( 1712 PWs) bands (ev): -29.3115 -29.3115 -10.4777 -10.4761 -9.1810 -9.1786 -8.8218 -8.8168 -1.7284 -1.7274 5.0348 5.0380 6.5889 6.5936 7.2971 7.2984 7.7917 7.7923 10.2226 10.2458 10.5733 10.5832 11.1305 11.1758 12.2019 12.2092 12.7470 12.7632 13.2215 13.3088 14.3508 14.4536 15.5139 15.5148 17.1657 17.1702 k = 0.0567 0.0758 0.5324 ( 1712 PWs) bands (ev): -29.3117 -29.3117 -10.4777 -10.4762 -9.1808 -9.1787 -8.8192 -8.8147 -1.7274 -1.7265 5.0564 5.0595 6.5725 6.5766 7.2839 7.2853 7.7870 7.7877 10.2205 10.2415 10.5893 10.5978 11.1235 11.1641 12.2056 12.2120 12.7822 12.7966 13.2314 13.3155 14.3023 14.4002 15.4471 15.4478 17.1625 17.1664 k = 0.0496 0.0663 0.5324 ( 1716 PWs) bands (ev): -29.3119 -29.3119 -10.4776 -10.4764 -9.1806 -9.1788 -8.8168 -8.8129 -1.7265 -1.7257 5.0760 5.0788 6.5580 6.5614 7.2720 7.2735 7.7828 7.7835 10.2187 10.2375 10.6041 10.6113 11.1175 11.1533 12.2091 12.2145 12.8156 12.8283 13.2416 13.3210 14.2583 14.3498 15.3859 15.3864 17.1594 17.1626 k = 0.0426 0.0568 0.5324 ( 1708 PWs) bands (ev): -29.3121 -29.3121 -10.4776 -10.4765 -9.1804 -9.1789 -8.8146 -8.8113 -1.7257 -1.7250 5.0933 5.0958 6.5453 6.5481 7.2616 7.2630 7.7791 7.7798 10.2174 10.2338 10.6176 10.6235 11.1125 11.1434 12.2123 12.2169 12.8468 12.8577 13.2523 13.3253 14.2198 14.3032 15.3310 15.3313 17.1564 17.1591 k = 0.0355 0.0474 0.5324 ( 1700 PWs) bands (ev): -29.3122 -29.3122 -10.4775 -10.4767 -9.1803 -9.1789 -8.8127 -8.8100 -1.7249 -1.7244 5.1083 5.1104 6.5345 6.5368 7.2527 7.2539 7.7759 7.7766 10.2165 10.2303 10.6295 10.6343 11.1087 11.1346 12.2152 12.2189 12.8748 12.8840 13.2632 13.3281 14.1872 14.2608 15.2830 15.2832 17.1538 17.1560 k = 0.0284 0.0379 0.5324 ( 1696 PWs) bands (ev): -29.3124 -29.3124 -10.4775 -10.4768 -9.1801 -9.1790 -8.8112 -8.8090 -1.7243 -1.7239 5.1207 5.1224 6.5256 6.5275 7.2453 7.2464 7.7733 7.7738 10.2160 10.2272 10.6396 10.6433 11.1060 11.1268 12.2175 12.2205 12.8991 12.9065 13.2743 13.3291 14.1613 14.2232 15.2426 15.2428 17.1515 17.1533 k = 0.0213 0.0284 0.5324 ( 1698 PWs) bands (ev): -29.3125 -29.3125 -10.4774 -10.4769 -9.1799 -9.1792 -8.8099 -8.8082 -1.7238 -1.7235 5.1305 5.1318 6.5188 6.5201 7.2396 7.2404 7.7712 7.7716 10.2159 10.2244 10.6477 10.6504 11.1044 11.1200 12.2195 12.2217 12.9189 12.9245 13.2852 13.3282 14.1426 14.1909 15.2105 15.2106 17.1497 17.1510 k = 0.0142 0.0189 0.5324 ( 1696 PWs) bands (ev): -29.3125 -29.3125 -10.4774 -10.4770 -9.1798 -9.1793 -8.8089 -8.8078 -1.7235 -1.7232 5.1376 5.1385 6.5139 6.5148 7.2355 7.2361 7.7697 7.7700 10.2163 10.2220 10.6537 10.6554 11.1040 11.1144 12.2210 12.2225 12.9338 12.9376 13.2957 13.3253 14.1315 14.1648 15.1871 15.1871 17.1485 17.1493 k = 0.0071 0.0095 0.5324 ( 1692 PWs) bands (ev): -29.3126 -29.3126 -10.4773 -10.4771 -9.1796 -9.1794 -8.8081 -8.8076 -1.7232 -1.7231 5.1420 5.1425 6.5111 6.5115 7.2331 7.2334 7.7689 7.7691 10.2171 10.2200 10.6575 10.6584 11.1047 11.1100 12.2221 12.2229 12.9433 12.9452 13.3054 13.3205 14.1283 14.1453 15.1729 15.1729 17.1478 17.1482 k = 0.0000 0.0000 0.5324 ( 1690 PWs) bands (ev): -29.3126 -29.3126 -10.4772 -10.4772 -9.1795 -9.1795 -8.8077 -8.8077 -1.7231 -1.7231 5.1436 5.1436 6.5103 6.5103 7.2324 7.2324 7.7687 7.7687 10.2184 10.2184 10.6590 10.6590 11.1069 11.1069 12.2227 12.2227 12.9472 12.9472 13.3137 13.3137 14.1330 14.1330 15.1681 15.1681 17.1477 17.1477 k = 0.0000 0.0000 0.5324 ( 1690 PWs) bands (ev): -29.3126 -29.3126 -10.4772 -10.4772 -9.1795 -9.1795 -8.8077 -8.8077 -1.7231 -1.7231 5.1436 5.1436 6.5103 6.5103 7.2324 7.2324 7.7687 7.7687 10.2184 10.2184 10.6590 10.6590 11.1069 11.1069 12.2227 12.2227 12.9472 12.9472 13.3137 13.3137 14.1330 14.1330 15.1681 15.1681 17.1477 17.1477 k = 0.0000 0.0000 0.5206 ( 1696 PWs) bands (ev): -29.3126 -29.3126 -10.4775 -10.4764 -9.1801 -9.1784 -8.8079 -8.8078 -1.7247 -1.7233 5.1430 5.1431 6.5106 6.5116 7.2325 7.2354 7.7684 7.7687 10.2187 10.2196 10.6600 10.6606 11.1069 11.1075 12.2204 12.2209 12.9480 12.9491 13.3116 13.3137 14.1329 14.1333 15.1675 15.1695 17.1376 17.1466 k = 0.0000 0.0000 0.5087 ( 1698 PWs) bands (ev): -29.3128 -29.3128 -10.4773 -10.4750 -9.1801 -9.1767 -8.8082 -8.8080 -1.7282 -1.7254 5.1416 5.1416 6.5125 6.5145 7.2356 7.2414 7.7680 7.7686 10.2207 10.2225 10.6634 10.6646 11.1080 11.1091 12.2141 12.2151 12.9517 12.9540 13.3072 13.3113 14.1331 14.1339 15.1677 15.1716 17.1170 17.1342 k = 0.0000 0.0000 0.4969 ( 1700 PWs) bands (ev): -29.3130 -29.3129 -10.4765 -10.4731 -9.1796 -9.1746 -8.8086 -8.8084 -1.7335 -1.7293 5.1391 5.1392 6.5160 6.5190 7.2418 7.2505 7.7675 7.7684 10.2243 10.2271 10.6692 10.6710 11.1101 11.1117 12.2037 12.2052 12.9581 12.9616 13.3008 13.3067 14.1336 14.1348 15.1686 15.1744 17.0868 17.1112 k = 0.0000 0.0000 0.4851 ( 1704 PWs) bands (ev): -29.3132 -29.3132 -10.4753 -10.4707 -9.1785 -9.1718 -8.8092 -8.8089 -1.7406 -1.7351 5.1357 5.1359 6.5211 6.5250 7.2512 7.2626 7.7668 7.7681 10.2297 10.2333 10.6774 10.6797 11.1130 11.1151 12.1894 12.1914 12.9673 12.9721 13.2923 13.3000 14.1344 14.1360 15.1701 15.1777 17.0481 17.0786 k = 0.0000 0.0000 0.4732 ( 1708 PWs) bands (ev): -29.3136 -29.3136 -10.4734 -10.4677 -9.1768 -9.1686 -8.8100 -8.8096 -1.7494 -1.7426 5.1314 5.1315 6.5276 6.5324 7.2635 7.2778 7.7661 7.7678 10.2368 10.2413 10.6877 10.6906 11.1168 11.1194 12.1713 12.1738 12.9794 12.9855 13.2820 13.2913 14.1355 14.1375 15.1721 15.1814 17.0020 17.0375 k = 0.0000 0.0000 0.4614 ( 1708 PWs) bands (ev): -29.3140 -29.3140 -10.4711 -10.4643 -9.1746 -9.1648 -8.8110 -8.8105 -1.7600 -1.7519 5.1262 5.1264 6.5354 6.5411 7.2790 7.2959 7.7655 7.7675 10.2458 10.2511 10.7002 10.7036 11.1216 11.1246 12.1493 12.1524 12.9942 13.0018 13.2701 13.2806 14.1370 14.1394 15.1743 15.1853 16.9494 16.9889 k = 0.0000 0.0000 0.4496 ( 1706 PWs) bands (ev): -29.3145 -29.3145 -10.4683 -10.4605 -9.1718 -9.1605 -8.8120 -8.8115 -1.7722 -1.7629 5.1201 5.1203 6.5444 6.5509 7.2975 7.3170 7.7650 7.7674 10.2567 10.2628 10.7145 10.7184 11.1273 11.1306 12.1236 12.1273 13.0118 13.0210 13.2568 13.2682 14.1388 14.1416 15.1765 15.1890 16.8909 16.9337 k = 0.0000 0.0000 0.4378 ( 1704 PWs) bands (ev): -29.3150 -29.3150 -10.4651 -10.4562 -9.1684 -9.1556 -8.8133 -8.8127 -1.7860 -1.7755 5.1132 5.1134 6.5545 6.5617 7.3191 7.3411 7.7647 7.7676 10.2696 10.2763 10.7305 10.7349 11.1339 11.1374 12.0944 12.0988 13.0319 13.0431 13.2424 13.2542 14.1410 14.1442 15.1785 15.1924 16.8273 16.8729 k = 0.0000 0.0000 0.4259 ( 1704 PWs) bands (ev): -29.3156 -29.3156 -10.4614 -10.4515 -9.1645 -9.1502 -8.8146 -8.8140 -1.8013 -1.7896 5.1055 5.1057 6.5654 6.5732 7.3436 7.3680 7.7647 7.7680 10.2844 10.2918 10.7480 10.7529 11.1413 11.1450 12.0619 12.0670 13.0543 13.0681 13.2271 13.2386 14.1436 14.1473 15.1799 15.1951 16.7593 16.8073 k = 0.0000 0.0000 0.4141 ( 1708 PWs) bands (ev): -29.3163 -29.3163 -10.4573 -10.4465 -9.1600 -9.1444 -8.8162 -8.8154 -1.8181 -1.8053 5.0970 5.0973 6.5771 6.5854 7.3711 7.3978 7.7653 7.7691 10.3011 10.3093 10.7668 10.7722 11.1495 11.1531 12.0259 12.0319 13.0783 13.0957 13.2121 13.2221 14.1466 14.1508 15.1803 15.1966 16.6878 16.7379 k = 0.0000 0.0000 0.4023 ( 1704 PWs) bands (ev): -29.3171 -29.3171 -10.4529 -10.4412 -9.1549 -9.1380 -8.8178 -8.8170 -1.8362 -1.8225 5.0880 5.0883 6.5892 6.5979 7.4015 7.4302 7.7667 7.7709 10.3200 10.3289 10.7867 10.7925 11.1584 11.1619 11.9870 11.9940 13.1019 13.1256 13.1994 13.2051 14.1502 14.1548 15.1793 15.1965 16.6139 16.6657 k = 0.0000 0.0000 0.3904 ( 1708 PWs) bands (ev): -29.3179 -29.3179 -10.4481 -10.4355 -9.1493 -9.1311 -8.8195 -8.8186 -1.8557 -1.8409 5.0782 5.0785 6.6016 6.6105 7.4347 7.4651 7.7689 7.7736 10.3409 10.3504 10.8074 10.8137 11.1681 11.1712 11.9452 11.9534 13.1190 13.1544 13.1909 13.1951 14.1542 14.1594 15.1764 15.1944 16.5387 16.5919 k = 0.0000 0.0000 0.3786 ( 1704 PWs) bands (ev): -29.3187 -29.3187 -10.4430 -10.4296 -9.1430 -9.1237 -8.8214 -8.8204 -1.8763 -1.8607 5.0679 5.0682 6.6141 6.6231 7.4705 7.5024 7.7725 7.7776 10.3639 10.3741 10.8288 10.8357 11.1784 11.1808 11.9008 11.9105 13.1201 13.1573 13.2046 13.2089 14.1589 14.1645 15.1710 15.1897 16.4635 16.5179 k = 0.0000 0.0000 0.3668 ( 1708 PWs) bands (ev): -29.3196 -29.3196 -10.4376 -10.4236 -9.1363 -9.1159 -8.8234 -8.8223 -1.8979 -1.8815 5.0570 5.0573 6.6264 6.6355 7.5087 7.5417 7.7777 7.7830 10.3889 10.3997 10.8507 10.8581 11.1894 11.1907 11.8538 11.8654 13.1080 13.1396 13.2380 13.2408 14.1642 14.1704 15.1624 15.1815 16.3897 16.4452 k = 0.0000 0.0000 0.3549 ( 1704 PWs) bands (ev): -29.3205 -29.3205 -10.4320 -10.4173 -9.1289 -9.1076 -8.8254 -8.8243 -1.9206 -1.9035 5.0457 5.0460 6.6384 6.6473 7.5489 7.5824 7.7852 7.7903 10.4160 10.4274 10.8730 10.8809 11.2007 11.2009 11.8045 11.8185 13.0903 13.1191 13.2747 13.2820 14.1703 14.1771 15.1499 15.1691 16.3190 16.3751 k = 0.0000 0.0000 0.3431 ( 1704 PWs) bands (ev): -29.3215 -29.3215 -10.4263 -10.4109 -9.1211 -9.0989 -8.8275 -8.8264 -1.9441 -1.9263 5.0339 5.0343 6.6498 6.6584 7.5906 7.6237 7.7959 7.8001 10.4450 10.4570 10.8954 10.9039 11.2105 11.2129 11.7532 11.7702 13.0704 13.0975 13.3157 13.3260 14.1772 14.1846 15.1327 15.1517 16.2527 16.3093 k = 0.0000 0.0000 0.3313 ( 1708 PWs) bands (ev): -29.3225 -29.3225 -10.4203 -10.4045 -9.1127 -9.0898 -8.8298 -8.8285 -1.9684 -1.9501 5.0219 5.0223 6.6605 6.6687 7.6329 7.6640 7.8113 7.8133 10.4759 10.4885 10.9177 10.9269 11.2197 11.2252 11.7000 11.7210 13.0494 13.0755 13.3597 13.3725 14.1850 14.1931 15.1102 15.1285 16.1926 16.2492 k = 0.0000 0.0000 0.3194 ( 1708 PWs) bands (ev): -29.3236 -29.3236 -10.4143 -10.3980 -9.1038 -9.0803 -8.8320 -8.8307 -1.9933 -1.9745 5.0095 5.0099 6.6704 6.6780 7.6743 7.7010 7.8315 7.8339 10.5086 10.5218 10.9399 10.9498 11.2280 11.2379 11.6451 11.6716 13.0278 13.0531 13.4061 13.4211 14.1941 14.2028 15.0816 15.0989 16.1399 16.1961 k = 0.0000 0.0000 0.3076 ( 1710 PWs) bands (ev): -29.3246 -29.3246 -10.4082 -10.3915 -9.0944 -9.0704 -8.8343 -8.8329 -2.0187 -1.9995 4.9970 4.9974 6.6791 6.6862 7.7127 7.7323 7.8565 7.8658 10.5430 10.5568 10.9617 10.9725 11.2344 11.2508 11.5889 11.6228 13.0057 13.0304 13.4545 13.4715 14.2044 14.2138 15.0467 15.0625 16.0957 16.1511 k = 0.0000 0.0000 0.2958 ( 1710 PWs) bands (ev): -29.3257 -29.3257 -10.4020 -10.3851 -9.0846 -9.0602 -8.8367 -8.8352 -2.0445 -2.0250 4.9843 4.9847 6.6867 6.6931 7.7461 7.7577 7.8904 7.9073 10.5789 10.5934 10.9831 10.9949 11.2379 11.2635 11.5318 11.5760 12.9834 13.0076 13.5044 13.5233 14.2162 14.2264 15.0055 15.0194 16.0605 16.1148 k = 0.0000 0.0000 0.2839 ( 1710 PWs) bands (ev): -29.3268 -29.3268 -10.3958 -10.3787 -9.0744 -9.0497 -8.8391 -8.8375 -2.0705 -2.0509 4.9716 4.9720 6.6931 6.6987 7.7742 7.7789 7.9334 7.9566 10.6162 10.6314 11.0038 11.0169 11.2366 11.2754 11.4745 11.5333 12.9610 12.9847 13.5554 13.5760 14.2298 14.2407 14.9583 14.9700 16.0344 16.0874 k = 0.0000 0.0000 0.2721 ( 1714 PWs) bands (ev): -29.3279 -29.3279 -10.3897 -10.3725 -9.0639 -9.0390 -8.8415 -8.8398 -2.0968 -2.0770 4.9588 4.9592 6.6982 6.7030 7.7981 7.7981 7.9840 8.0113 10.6547 10.6705 11.0237 11.0384 11.2280 11.2847 11.4190 11.4972 12.9387 12.9619 13.6069 13.6292 14.2454 14.2570 14.9059 14.9152 16.0172 16.0687 k = 0.0000 0.0000 0.2603 ( 1718 PWs) bands (ev): -29.3290 -29.3290 -10.3836 -10.3664 -9.0530 -9.0282 -8.8439 -8.8421 -2.1230 -2.1032 4.9461 4.9465 6.7019 6.7060 7.8165 7.8197 8.0402 8.0699 10.6942 10.7106 11.0424 11.0593 11.2096 11.2842 11.3724 11.4707 12.9164 12.9392 13.6584 13.6823 14.2636 14.2758 14.8491 14.8561 16.0082 16.0583 k = 0.0000 0.0000 0.2485 ( 1722 PWs) bands (ev): -29.3301 -29.3301 -10.3776 -10.3605 -9.0418 -9.0171 -8.8463 -8.8444 -2.1492 -2.1295 4.9335 4.9339 6.7044 6.7078 7.8349 7.8403 8.1005 8.1315 10.7345 10.7514 11.0589 11.0794 11.1816 11.2561 11.3530 11.4548 12.8943 12.9168 13.7093 13.7345 14.2848 14.2973 14.7890 14.7938 16.0066 16.0554 k = 0.0000 0.0000 0.2366 ( 1722 PWs) bands (ev): -29.3312 -29.3312 -10.3717 -10.3548 -9.0304 -9.0060 -8.8486 -8.8467 -2.1751 -2.1556 4.9211 4.9214 6.7057 6.7083 7.8537 7.8606 8.1639 8.1954 10.7752 10.7924 11.0693 11.0980 11.1495 11.2053 11.3568 11.4483 12.8726 12.8946 13.7589 13.7851 14.3092 14.3219 14.7268 14.7296 16.0118 16.0596 k = 0.0000 0.0000 0.2248 ( 1727 PWs) bands (ev): -29.3323 -29.3323 -10.3660 -10.3493 -9.0189 -8.9949 -8.8510 -8.8489 -2.2007 -2.1814 4.9089 4.9092 6.7058 6.7078 7.8730 7.8809 8.2297 8.2611 10.8159 10.8327 11.0589 11.1090 11.1308 11.1540 11.3676 11.4485 12.8511 12.8727 13.8064 13.8334 14.3374 14.3499 14.6636 14.6646 16.0230 16.0700 k = 0.0000 0.0000 0.2130 ( 1717 PWs) bands (ev): -29.3334 -29.3334 -10.3604 -10.3440 -9.0072 -8.9839 -8.8533 -8.8511 -2.2257 -2.2069 4.8970 4.8974 6.7048 6.7062 7.8928 7.9013 8.2976 8.3285 10.8560 10.8702 11.0225 11.0728 11.1358 11.1475 11.3806 11.4532 12.8301 12.8514 13.8515 13.8787 14.3696 14.3814 14.5999 14.6004 16.0397 16.0861 k = 0.0000 0.0000 0.2011 ( 1721 PWs) bands (ev): -29.3344 -29.3344 -10.3550 -10.3391 -8.9956 -8.9729 -8.8555 -8.8532 -2.2503 -2.2319 4.8854 4.8858 6.7029 6.7037 7.9131 7.9219 8.3671 8.3972 10.8933 10.8946 10.9863 11.0143 11.1489 11.1635 11.3943 11.4604 12.8097 12.8305 13.8935 13.9204 14.4053 14.4159 14.5365 14.5383 16.0613 16.1073 k = 0.0000 0.0000 0.1893 ( 1717 PWs) bands (ev): -29.3354 -29.3354 -10.3498 -10.3344 -8.9839 -8.9622 -8.8577 -8.8552 -2.2741 -2.2562 4.8743 4.8746 6.7002 6.7005 7.9336 7.9426 8.4379 8.4669 10.8755 10.9123 10.9702 10.9882 11.1643 11.1817 11.4084 11.4694 12.7898 12.8101 13.9323 13.9583 14.4399 14.4469 14.4817 14.4824 16.0873 16.1332 k = 0.0000 0.0000 0.1775 ( 1715 PWs) bands (ev): -29.3364 -29.3364 -10.3449 -10.3300 -8.9724 -8.9517 -8.8598 -8.8571 -2.2970 -2.2798 4.8636 4.8639 6.6966 6.6967 7.9542 7.9631 8.5098 8.5376 10.8243 10.8679 10.9868 11.0182 11.1806 11.2005 11.4225 11.4792 12.7706 12.7904 13.9678 13.9925 14.4081 14.4111 14.4952 14.5017 16.1175 16.1635 k = 0.0000 0.0000 0.1656 ( 1719 PWs) bands (ev): -29.3373 -29.3373 -10.3401 -10.3259 -8.9611 -8.9416 -8.8618 -8.8589 -2.3191 -2.3026 4.8533 4.8536 6.6923 6.6927 7.9747 7.9835 8.5826 8.6089 10.7648 10.8044 11.0199 11.0529 11.1978 11.2199 11.4364 11.4892 12.7521 12.7714 14.0000 14.0232 14.3512 14.3554 14.5396 14.5444 16.1516 16.1978 k = 0.0000 0.0000 0.1538 ( 1719 PWs) bands (ev): -29.3382 -29.3382 -10.3357 -10.3222 -8.9501 -8.9319 -8.8638 -8.8606 -2.3401 -2.3243 4.8435 4.8438 6.6876 6.6883 7.9949 8.0034 8.6559 8.6806 10.7023 10.7380 11.0528 11.0864 11.2162 11.2399 11.4502 11.4996 12.7345 12.7532 14.0294 14.0507 14.2963 14.3010 14.5868 14.5894 16.1893 16.2359 k = 0.0000 0.0000 0.1420 ( 1719 PWs) bands (ev): -29.3390 -29.3390 -10.3314 -10.3187 -8.9394 -8.9227 -8.8656 -8.8621 -2.3599 -2.3451 4.8344 4.8346 6.6827 6.6836 8.0146 8.0227 8.7296 8.7526 10.6385 10.6707 11.0833 11.1168 11.2364 11.2608 11.4636 11.5096 12.7178 12.7358 14.0561 14.0756 14.2444 14.2495 14.6345 14.6350 16.2305 16.2776 k = 0.0000 0.0000 0.1301 ( 1723 PWs) bands (ev): -29.3398 -29.3398 -10.3275 -10.3156 -8.9292 -8.9142 -8.8674 -8.8635 -2.3785 -2.3646 4.8258 4.8260 6.6777 6.6788 8.0336 8.0413 8.8034 8.8245 10.5739 10.6031 11.1106 11.1427 11.2589 11.2826 11.4764 11.5192 12.7021 12.7192 14.0806 14.0981 14.1960 14.2012 14.6800 14.6815 16.2751 16.3228 k = 0.0000 0.0000 0.1183 ( 1721 PWs) bands (ev): -29.3406 -29.3406 -10.3238 -10.3128 -8.9194 -8.9063 -8.8690 -8.8645 -2.3957 -2.3829 4.8178 4.8181 6.6727 6.6739 8.0518 8.0589 8.8770 8.8962 10.5090 10.5354 11.1345 11.1639 11.2835 11.3053 11.4889 11.5283 12.6875 12.7037 14.1030 14.1183 14.1512 14.1568 14.7233 14.7265 16.3228 16.3711 k = 0.0000 0.0000 0.1065 ( 1721 PWs) bands (ev): -29.3412 -29.3412 -10.3204 -10.3103 -8.9102 -8.8993 -8.8705 -8.8653 -2.4116 -2.3998 4.8105 4.8107 6.6679 6.6691 8.0689 8.0754 8.9501 8.9673 10.4441 10.4679 11.1548 11.1808 11.3094 11.3283 11.5007 11.5367 12.6740 12.6892 14.1102 14.1142 14.1237 14.1387 14.7641 14.7687 16.3735 16.4225 k = 0.0000 0.0000 0.0946 ( 1721 PWs) bands (ev): -29.3419 -29.3419 -10.3172 -10.3082 -8.9017 -8.8933 -8.8718 -8.8657 -2.4259 -2.4152 4.8039 4.8041 6.6633 6.6645 8.0847 8.0906 9.0223 9.0374 10.3797 10.4010 11.1719 11.1941 11.3354 11.3512 11.5118 11.5443 12.6618 12.6758 14.0733 14.0777 14.1427 14.1552 14.8015 14.8071 16.4270 16.4767 k = 0.0000 0.0000 0.0828 ( 1721 PWs) bands (ev): -29.3424 -29.3424 -10.3144 -10.3064 -8.8938 -8.8885 -8.8730 -8.8656 -2.4386 -2.4292 4.7981 4.7982 6.6590 6.6602 8.0991 8.1043 9.0930 9.1060 10.3163 10.3352 11.1861 11.2047 11.3603 11.3731 11.5222 11.5510 12.6510 12.6637 14.0406 14.0447 14.1600 14.1707 14.8349 14.8412 16.4830 16.5334 k = 0.0000 0.0000 0.0710 ( 1721 PWs) bands (ev): -29.3429 -29.3429 -10.3118 -10.3049 -8.8868 -8.8848 -8.8741 -8.8650 -2.4496 -2.4415 4.7929 4.7931 6.6552 6.6562 8.1120 8.1165 9.1615 9.1724 10.2545 10.2710 11.1978 11.2130 11.3834 11.3934 11.5316 11.5566 12.6416 12.6528 14.0121 14.0157 14.1755 14.1846 14.8640 14.8704 16.5413 16.5922 k = 0.0000 0.0000 0.0592 ( 1717 PWs) bands (ev): -29.3433 -29.3433 -10.3096 -10.3038 -8.8824 -8.8807 -8.8748 -8.8639 -2.4590 -2.4521 4.7886 4.7887 6.6518 6.6528 8.1232 8.1269 9.2268 9.2356 10.1954 10.2095 11.2075 11.2196 11.4039 11.4115 11.5402 11.5612 12.6337 12.6432 13.9879 13.9911 14.1893 14.1968 14.8886 14.8947 16.6015 16.6525 k = 0.0000 0.0000 0.0473 ( 1713 PWs) bands (ev): -29.3436 -29.3436 -10.3076 -10.3029 -8.8809 -8.8771 -8.8738 -8.8626 -2.4666 -2.4610 4.7850 4.7851 6.6490 6.6498 8.1325 8.1356 9.2874 9.2941 10.1405 10.1521 11.2152 11.2246 11.4213 11.4269 11.5478 11.5647 12.6273 12.6351 13.9682 13.9708 14.2010 14.2069 14.9085 14.9139 16.6627 16.7134 k = 0.0000 0.0000 0.0355 ( 1715 PWs) bands (ev): -29.3439 -29.3439 -10.3060 -10.3024 -8.8800 -8.8772 -8.8700 -8.8615 -2.4723 -2.4682 4.7821 4.7822 6.6468 6.6474 8.1400 8.1423 9.3410 9.3458 10.0917 10.1006 11.2212 11.2281 11.4353 11.4392 11.5542 11.5669 12.6225 12.6285 13.9528 13.9548 14.2105 14.2150 14.9239 14.9283 16.7240 16.7726 k = 0.0000 0.0000 0.0237 ( 1715 PWs) bands (ev): -29.3441 -29.3441 -10.3046 -10.3022 -8.8794 -8.8777 -8.8665 -8.8609 -2.4763 -2.4735 4.7801 4.7802 6.6453 6.6457 8.1455 8.1470 9.3843 9.3874 10.0524 10.0586 11.2257 11.2301 11.4456 11.4481 11.5595 11.5680 12.6194 12.6234 13.9419 13.9433 14.2178 14.2207 14.9350 14.9381 16.7828 16.8260 k = 0.0000 0.0000 0.0118 ( 1715 PWs) bands (ev): -29.3442 -29.3442 -10.3036 -10.3024 -8.8790 -8.8782 -8.8638 -8.8611 -2.4784 -2.4770 4.7789 4.7790 6.6444 6.6446 8.1490 8.1498 9.4133 9.4148 10.0268 10.0300 11.2288 11.2310 11.4521 11.4533 11.5635 11.5678 12.6179 12.6199 13.9355 13.9362 14.2225 14.2239 14.9419 14.9435 16.8342 16.8627 k = 0.0000 0.0000 0.0000 ( 1715 PWs) bands (ev): -29.3443 -29.3443 -10.3028 -10.3028 -8.8786 -8.8786 -8.8620 -8.8620 -2.4786 -2.4786 4.7785 4.7785 6.6441 6.6441 8.1504 8.1504 9.4241 9.4241 10.0188 10.0188 11.2305 11.2305 11.4546 11.4546 11.5663 11.5663 12.6181 12.6181 13.9336 13.9336 14.2245 14.2245 14.9447 14.9447 16.8662 16.8662 k = 0.0000 0.0000 0.0000 ( 1715 PWs) bands (ev): -29.3443 -29.3443 -10.3028 -10.3028 -8.8786 -8.8786 -8.8620 -8.8620 -2.4786 -2.4786 4.7785 4.7785 6.6441 6.6441 8.1504 8.1504 9.4241 9.4241 10.0188 10.0188 11.2305 11.2305 11.4546 11.4546 11.5663 11.5663 12.6181 12.6181 13.9336 13.9336 14.2245 14.2245 14.9447 14.9447 16.8662 16.8662 k =-0.0094 0.0071 0.0000 ( 1713 PWs) bands (ev): -29.3442 -29.3442 -10.3029 -10.3029 -8.8788 -8.8788 -8.8621 -8.8621 -2.4778 -2.4778 4.7791 4.7791 6.6404 6.6404 8.1537 8.1537 9.4229 9.4229 10.0196 10.0196 11.2294 11.2294 11.4538 11.4538 11.5664 11.5664 12.6160 12.6160 13.9335 13.9335 14.2248 14.2248 14.9448 14.9448 16.8693 16.8693 k =-0.0189 0.0141 0.0000 ( 1717 PWs) bands (ev): -29.3442 -29.3442 -10.3033 -10.3033 -8.8794 -8.8794 -8.8624 -8.8624 -2.4752 -2.4752 4.7808 4.7808 6.6292 6.6292 8.1634 8.1634 9.4196 9.4196 10.0219 10.0219 11.2261 11.2261 11.4512 11.4512 11.5666 11.5666 12.6098 12.6098 13.9333 13.9333 14.2256 14.2256 14.9449 14.9449 16.8786 16.8786 k =-0.0283 0.0212 0.0000 ( 1717 PWs) bands (ev): -29.3440 -29.3440 -10.3039 -10.3039 -8.8805 -8.8805 -8.8629 -8.8629 -2.4709 -2.4709 4.7836 4.7836 6.6111 6.6111 8.1791 8.1791 9.4139 9.4139 10.0258 10.0258 11.2206 11.2206 11.4468 11.4468 11.5672 11.5672 12.5995 12.5995 13.9331 13.9331 14.2270 14.2270 14.9451 14.9451 16.8940 16.8940 k =-0.0377 0.0282 0.0000 ( 1717 PWs) bands (ev): -29.3439 -29.3439 -10.3047 -10.3047 -8.8820 -8.8820 -8.8635 -8.8635 -2.4649 -2.4649 4.7874 4.7874 6.5866 6.5866 8.2002 8.2002 9.4060 9.4060 10.0311 10.0311 11.2130 11.2130 11.4408 11.4408 11.5681 11.5681 12.5850 12.5850 13.9331 13.9331 14.2291 14.2291 14.9455 14.9455 16.9151 16.9151 k =-0.0472 0.0353 0.0000 ( 1715 PWs) bands (ev): -29.3436 -29.3436 -10.3058 -10.3058 -8.8841 -8.8841 -8.8642 -8.8642 -2.4572 -2.4572 4.7925 4.7925 6.5564 6.5564 8.2260 8.2260 9.3959 9.3959 10.0379 10.0379 11.2034 11.2034 11.4330 11.4330 11.5694 11.5694 12.5664 12.5664 13.9337 13.9337 14.2321 14.2321 14.9459 14.9459 16.9411 16.9411 k =-0.0566 0.0424 0.0000 ( 1711 PWs) bands (ev): -29.3434 -29.3434 -10.3070 -10.3070 -8.8867 -8.8867 -8.8649 -8.8649 -2.4479 -2.4479 4.7985 4.7985 6.5212 6.5212 8.2556 8.2556 9.3835 9.3835 10.0461 10.0461 11.1917 11.1917 11.4235 11.4235 11.5714 11.5714 12.5438 12.5438 13.9351 13.9351 14.2360 14.2360 14.9464 14.9464 16.9690 16.9690 k =-0.0660 0.0494 0.0000 ( 1715 PWs) bands (ev): -29.3431 -29.3431 -10.3085 -10.3085 -8.8898 -8.8898 -8.8657 -8.8657 -2.4370 -2.4370 4.8056 4.8056 6.4820 6.4820 8.2881 8.2881 9.3690 9.3690 10.0555 10.0555 11.1780 11.1780 11.4122 11.4122 11.5739 11.5739 12.5170 12.5170 13.9377 13.9377 14.2409 14.2409 14.9470 14.9470 16.9780 16.9780 k =-0.0755 0.0565 0.0000 ( 1715 PWs) bands (ev): -29.3427 -29.3427 -10.3103 -10.3103 -8.8935 -8.8935 -8.8664 -8.8664 -2.4245 -2.4245 4.8138 4.8138 6.4393 6.4393 8.3228 8.3228 9.3522 9.3522 10.0660 10.0660 11.1625 11.1625 11.3992 11.3992 11.5774 11.5774 12.4865 12.4865 13.9419 13.9419 14.2470 14.2470 14.9478 14.9478 16.9500 16.9500 k =-0.0849 0.0636 0.0000 ( 1719 PWs) bands (ev): -29.3423 -29.3423 -10.3122 -10.3122 -8.8977 -8.8977 -8.8672 -8.8672 -2.4105 -2.4105 4.8229 4.8229 6.3941 6.3941 8.3587 8.3587 9.3332 9.3332 10.0776 10.0776 11.1452 11.1452 11.3843 11.3843 11.5819 11.5819 12.4524 12.4524 13.9479 13.9479 14.2545 14.2545 14.9485 14.9485 16.9104 16.9104 k =-0.0943 0.0706 0.0000 ( 1723 PWs) bands (ev): -29.3419 -29.3419 -10.3144 -10.3144 -8.9024 -8.9024 -8.8679 -8.8679 -2.3951 -2.3951 4.8331 4.8331 6.3469 6.3469 8.3952 8.3952 9.3122 9.3122 10.0901 10.0901 11.1262 11.1262 11.3678 11.3678 11.5875 11.5875 12.4149 12.4149 13.9562 13.9562 14.2636 14.2636 14.9494 14.9494 16.8663 16.8663 k =-0.1038 0.0777 0.0000 ( 1731 PWs) bands (ev): -29.3414 -29.3414 -10.3168 -10.3168 -8.9076 -8.9076 -8.8687 -8.8687 -2.3783 -2.3783 4.8441 4.8441 6.2982 6.2982 8.4316 8.4316 9.2890 9.2890 10.1034 10.1034 11.1055 11.1055 11.3496 11.3496 11.5945 11.5945 12.3745 12.3745 13.9668 13.9668 14.2744 14.2744 14.9503 14.9503 16.8194 16.8194 k =-0.1132 0.0847 0.0000 ( 1731 PWs) bands (ev): -29.3409 -29.3409 -10.3193 -10.3193 -8.9132 -8.9132 -8.8694 -8.8694 -2.3602 -2.3602 4.8562 4.8562 6.2487 6.2487 8.4671 8.4671 9.2639 9.2639 10.1172 10.1172 11.0835 11.0835 11.3297 11.3297 11.6031 11.6031 12.3316 12.3316 13.9802 13.9802 14.2870 14.2870 14.9514 14.9514 16.7706 16.7706 k =-0.1226 0.0918 0.0000 ( 1729 PWs) bands (ev): -29.3403 -29.3403 -10.3221 -10.3221 -8.9192 -8.9192 -8.8701 -8.8701 -2.3408 -2.3408 4.8692 4.8692 6.1988 6.1988 8.5012 8.5012 9.2368 9.2368 10.1316 10.1316 11.0602 11.0602 11.3082 11.3082 11.6131 11.6131 12.2868 12.2868 13.9963 13.9963 14.3018 14.3018 14.9525 14.9525 16.7203 16.7203 k =-0.1321 0.0989 0.0000 ( 1725 PWs) bands (ev): -29.3397 -29.3397 -10.3250 -10.3250 -8.9256 -8.9256 -8.8708 -8.8708 -2.3203 -2.3203 4.8831 4.8831 6.1489 6.1489 8.5333 8.5333 9.2080 9.2080 10.1462 10.1462 11.0357 11.0357 11.2851 11.2851 11.6250 11.6250 12.2405 12.2405 14.0154 14.0154 14.3186 14.3186 14.9537 14.9537 16.6691 16.6691 k =-0.1415 0.1059 0.0000 ( 1725 PWs) bands (ev): -29.3391 -29.3391 -10.3281 -10.3281 -8.9323 -8.9323 -8.8716 -8.8716 -2.2987 -2.2987 4.8977 4.8977 6.0994 6.0994 8.5628 8.5628 9.1775 9.1775 10.1608 10.1608 11.0101 11.0101 11.2604 11.2604 11.6387 11.6387 12.1935 12.1935 14.0375 14.0375 14.3376 14.3376 14.9549 14.9549 16.6175 16.6175 k =-0.1509 0.1130 0.0000 ( 1724 PWs) bands (ev): -29.3384 -29.3384 -10.3313 -10.3313 -8.9394 -8.9394 -8.8723 -8.8723 -2.2761 -2.2761 4.9131 4.9131 6.0506 6.0506 8.5892 8.5892 9.1453 9.1453 10.1753 10.1753 10.9836 10.9836 11.2343 11.2343 11.6542 11.6542 12.1464 12.1464 14.0626 14.0626 14.3590 14.3590 14.9562 14.9562 16.5658 16.5658 k =-0.1604 0.1201 0.0000 ( 1724 PWs) bands (ev): -29.3377 -29.3377 -10.3347 -10.3347 -8.9467 -8.9467 -8.8730 -8.8730 -2.2525 -2.2525 4.9293 4.9293 6.0028 6.0028 8.6120 8.6120 9.1118 9.1118 10.1896 10.1896 10.9562 10.9562 11.2067 11.2067 11.6715 11.6715 12.0998 12.0998 14.0908 14.0908 14.3827 14.3827 14.9576 14.9576 16.5143 16.5143 k =-0.1698 0.1271 0.0000 ( 1728 PWs) bands (ev): -29.3370 -29.3370 -10.3382 -10.3382 -8.9542 -8.9542 -8.8737 -8.8737 -2.2282 -2.2282 4.9461 4.9461 5.9562 5.9562 8.6307 8.6307 9.0770 9.0770 10.2034 10.2034 10.9281 10.9281 11.1779 11.1779 11.6907 11.6907 12.0544 12.0544 14.1220 14.1220 14.4089 14.4089 14.9590 14.9590 16.4635 16.4635 k =-0.1792 0.1342 0.0000 ( 1728 PWs) bands (ev): -29.3363 -29.3363 -10.3419 -10.3419 -8.9620 -8.9620 -8.8744 -8.8744 -2.2031 -2.2031 4.9636 4.9636 5.9112 5.9112 8.6448 8.6448 9.0410 9.0410 10.2168 10.2168 10.8995 10.8995 11.1479 11.1479 11.7117 11.7117 12.0110 12.0110 14.1562 14.1562 14.4375 14.4375 14.9605 14.9605 16.4136 16.4136 k =-0.1887 0.1412 0.0000 ( 1724 PWs) bands (ev): -29.3355 -29.3355 -10.3457 -10.3457 -8.9699 -8.9699 -8.8751 -8.8751 -2.1775 -2.1775 4.9817 4.9817 5.8679 5.8679 8.6540 8.6540 9.0041 9.0041 10.2296 10.2296 10.8705 10.8705 11.1169 11.1169 11.7344 11.7344 11.9701 11.9701 14.1934 14.1934 14.4687 14.4687 14.9620 14.9620 16.3649 16.3649 k =-0.1981 0.1483 0.0000 ( 1724 PWs) bands (ev): -29.3348 -29.3348 -10.3496 -10.3496 -8.9779 -8.9779 -8.8758 -8.8758 -2.1513 -2.1513 5.0003 5.0003 5.8265 5.8265 8.6578 8.6578 8.9664 8.9664 10.2419 10.2419 10.8411 10.8411 11.0848 11.0848 11.7584 11.7584 11.9326 11.9326 14.2335 14.2335 14.5022 14.5022 14.9635 14.9635 16.3177 16.3177 k =-0.2075 0.1554 0.0000 ( 1726 PWs) bands (ev): -29.3340 -29.3340 -10.3535 -10.3535 -8.9860 -8.9860 -8.8765 -8.8765 -2.1247 -2.1247 5.0193 5.0193 5.7872 5.7872 8.6559 8.6559 8.9281 8.9281 10.2535 10.2535 10.8115 10.8115 11.0519 11.0519 11.7825 11.7825 11.8998 11.8998 14.2763 14.2763 14.5381 14.5381 14.9651 14.9651 16.2723 16.2723 k =-0.2170 0.1624 0.0000 ( 1718 PWs) bands (ev): -29.3332 -29.3332 -10.3576 -10.3576 -8.9942 -8.9942 -8.8771 -8.8771 -2.0977 -2.0977 5.0388 5.0388 5.7502 5.7502 8.6482 8.6482 8.8893 8.8893 10.2645 10.2645 10.7820 10.7820 11.0184 11.0184 11.8031 11.8031 11.8761 11.8761 14.3219 14.3219 14.5764 14.5764 14.9668 14.9668 16.2289 16.2289 k =-0.2264 0.1695 0.0000 ( 1718 PWs) bands (ev): -29.3323 -29.3323 -10.3617 -10.3617 -9.0025 -9.0025 -8.8777 -8.8777 -2.0706 -2.0706 5.0586 5.0586 5.7156 5.7156 8.6343 8.6343 8.8502 8.8502 10.2749 10.2749 10.7524 10.7524 10.9842 10.9842 11.8074 11.8074 11.8740 11.8740 14.3700 14.3700 14.6170 14.6170 14.9684 14.9684 16.1878 16.1878 k =-0.2358 0.1766 0.0000 ( 1714 PWs) bands (ev): -29.3315 -29.3315 -10.3658 -10.3658 -9.0107 -9.0107 -8.8783 -8.8783 -2.0433 -2.0433 5.0787 5.0787 5.6835 5.6835 8.6143 8.6143 8.8109 8.8109 10.2849 10.2849 10.7229 10.7229 10.9496 10.9496 11.7936 11.7936 11.8955 11.8955 14.4205 14.4205 14.6597 14.6597 14.9701 14.9701 16.1491 16.1491 k =-0.2453 0.1836 0.0000 ( 1718 PWs) bands (ev): -29.3307 -29.3307 -10.3700 -10.3700 -9.0190 -9.0190 -8.8789 -8.8789 -2.0161 -2.0161 5.0990 5.0990 5.6541 5.6541 8.5882 8.5882 8.7716 8.7716 10.2944 10.2944 10.6937 10.6937 10.9147 10.9147 11.7761 11.7761 11.9258 11.9258 14.4731 14.4731 14.7044 14.7044 14.9718 14.9718 16.1133 16.1133 k =-0.2547 0.1907 0.0000 ( 1714 PWs) bands (ev): -29.3299 -29.3299 -10.3742 -10.3742 -9.0272 -9.0272 -8.8795 -8.8795 -1.9889 -1.9889 5.1194 5.1194 5.6274 5.6274 8.5562 8.5562 8.7324 8.7324 10.3036 10.3036 10.6648 10.6648 10.8796 10.8796 11.7604 11.7604 11.9596 11.9596 14.5277 14.5277 14.7511 14.7511 14.9736 14.9736 16.0806 16.0806 k =-0.2642 0.1977 0.0000 ( 1714 PWs) bands (ev): -29.3290 -29.3290 -10.3784 -10.3784 -9.0353 -9.0353 -8.8801 -8.8801 -1.9619 -1.9619 5.1400 5.1400 5.6036 5.6036 8.5183 8.5183 8.6935 8.6935 10.3124 10.3124 10.6364 10.6364 10.8445 10.8445 11.7472 11.7472 11.9956 11.9956 14.5839 14.5839 14.7994 14.7994 14.9754 14.9754 16.0515 16.0515 k =-0.2736 0.2048 0.0000 ( 1706 PWs) bands (ev): -29.3282 -29.3282 -10.3826 -10.3826 -9.0432 -9.0432 -8.8806 -8.8806 -1.9352 -1.9352 5.1606 5.1606 5.5826 5.5826 8.4751 8.4751 8.6550 8.6550 10.3211 10.3211 10.6086 10.6086 10.8095 10.8095 11.7369 11.7369 12.0332 12.0332 14.6412 14.6412 14.8493 14.8493 14.9773 14.9773 16.0261 16.0261 k =-0.2830 0.2119 0.0000 ( 1710 PWs) bands (ev): -29.3274 -29.3274 -10.3867 -10.3867 -9.0511 -9.0511 -8.8811 -8.8811 -1.9089 -1.9089 5.1810 5.1810 5.5646 5.5646 8.4268 8.4268 8.6170 8.6170 10.3294 10.3294 10.5815 10.5815 10.7746 10.7746 11.7293 11.7293 12.0719 12.0719 14.6991 14.6991 14.9001 14.9001 14.9796 14.9796 16.0051 16.0051 k =-0.2925 0.2189 0.0000 ( 1710 PWs) bands (ev): -29.3266 -29.3266 -10.3909 -10.3909 -9.0588 -9.0588 -8.8815 -8.8815 -1.8831 -1.8831 5.2014 5.2014 5.5497 5.5497 8.3739 8.3739 8.5798 8.5798 10.3375 10.3375 10.5551 10.5551 10.7402 10.7402 11.7243 11.7243 12.1116 12.1116 14.7571 14.7571 14.9501 14.9501 14.9841 14.9841 15.9890 15.9890 k =-0.3019 0.2260 0.0000 ( 1710 PWs) bands (ev): -29.3258 -29.3258 -10.3949 -10.3949 -9.0663 -9.0663 -8.8820 -8.8820 -1.8578 -1.8578 5.2215 5.2215 5.5377 5.5377 8.3170 8.3170 8.5434 8.5434 10.3452 10.3452 10.5298 10.5298 10.7062 10.7062 11.7216 11.7216 12.1521 12.1521 14.8143 14.8143 14.9770 14.9770 15.0126 15.0126 15.9783 15.9783 k =-0.3113 0.2331 0.0000 ( 1710 PWs) bands (ev): -29.3250 -29.3250 -10.3989 -10.3989 -9.0737 -9.0737 -8.8824 -8.8824 -1.8332 -1.8332 5.2413 5.2414 5.5288 5.5288 8.2565 8.2565 8.5079 8.5079 10.3522 10.3522 10.5056 10.5056 10.6728 10.6728 11.7208 11.7208 12.1932 12.1932 14.8699 14.8699 14.9814 14.9814 15.0645 15.0645 15.9738 15.9738 k =-0.3208 0.2401 0.0000 ( 1708 PWs) bands (ev): -29.3243 -29.3243 -10.4028 -10.4028 -9.0808 -9.0808 -8.8828 -8.8828 -1.8093 -1.8093 5.2608 5.2608 5.5228 5.5228 8.1929 8.1929 8.4736 8.4736 10.3585 10.3585 10.4829 10.4829 10.6402 10.6402 11.7218 11.7218 12.2347 12.2347 14.9226 14.9226 14.9842 14.9842 15.1189 15.1189 15.9763 15.9763 k =-0.3302 0.2472 0.0000 ( 1708 PWs) bands (ev): -29.3235 -29.3235 -10.4066 -10.4066 -9.0876 -9.0876 -8.8831 -8.8831 -1.7862 -1.7862 5.2799 5.2799 5.5198 5.5198 8.1270 8.1270 8.4404 8.4404 10.3634 10.3634 10.4622 10.4622 10.6085 10.6085 11.7241 11.7241 12.2762 12.2762 14.9684 14.9684 14.9901 14.9901 15.1738 15.1738 15.9864 15.9864 k =-0.3396 0.2542 0.0000 ( 1712 PWs) bands (ev): -29.3228 -29.3228 -10.4103 -10.4103 -9.0942 -9.0942 -8.8834 -8.8834 -1.7641 -1.7641 5.2984 5.2984 5.5197 5.5197 8.0592 8.0592 8.4085 8.4085 10.3658 10.3658 10.4445 10.4445 10.5776 10.5776 11.7276 11.7276 12.3178 12.3178 14.9835 14.9835 15.0220 15.0220 15.2289 15.2289 16.0050 16.0050 k =-0.3491 0.2613 0.0000 ( 1716 PWs) bands (ev): -29.3221 -29.3221 -10.4138 -10.4138 -9.1005 -9.1005 -8.8838 -8.8838 -1.7428 -1.7428 5.3163 5.3163 5.5224 5.5224 7.9901 7.9901 8.3780 8.3780 10.3643 10.3643 10.4313 10.4313 10.5481 10.5481 11.7319 11.7319 12.3590 12.3590 14.9862 14.9862 15.0610 15.0610 15.2837 15.2837 16.0323 16.0323 k =-0.3585 0.2684 0.0000 ( 1716 PWs) bands (ev): -29.3215 -29.3215 -10.4172 -10.4172 -9.1065 -9.1065 -8.8840 -8.8840 -1.7226 -1.7226 5.3336 5.3336 5.5278 5.5278 7.9204 7.9204 8.3489 8.3489 10.3575 10.3575 10.4241 10.4241 10.5197 10.5197 11.7370 11.7370 12.3996 12.3996 14.9879 14.9879 15.0952 15.0952 15.3378 15.3378 16.0685 16.0685 k =-0.3679 0.2754 0.0000 ( 1712 PWs) bands (ev): -29.3208 -29.3208 -10.4205 -10.4205 -9.1122 -9.1122 -8.8843 -8.8843 -1.7034 -1.7034 5.3502 5.3502 5.5357 5.5357 7.8506 7.8506 8.3214 8.3214 10.3462 10.3462 10.4220 10.4220 10.4928 10.4928 11.7426 11.7426 12.4396 12.4396 14.9893 14.9893 15.1238 15.1238 15.3909 15.3909 16.1133 16.1133 k =-0.3774 0.2825 0.0000 ( 1704 PWs) bands (ev): -29.3202 -29.3202 -10.4236 -10.4236 -9.1175 -9.1175 -8.8845 -8.8845 -1.6854 -1.6854 5.3659 5.3659 5.5459 5.5459 7.7813 7.7813 8.2955 8.2955 10.3324 10.3324 10.4227 10.4227 10.4677 10.4677 11.7486 11.7486 12.4784 12.4784 14.9906 14.9906 15.1470 15.1470 15.4426 15.4426 16.1659 16.1659 k =-0.3868 0.2895 0.0000 ( 1702 PWs) bands (ev): -29.3197 -29.3197 -10.4265 -10.4265 -9.1225 -9.1225 -8.8847 -8.8847 -1.6685 -1.6685 5.3809 5.3809 5.5581 5.5581 7.7130 7.7130 8.2713 8.2713 10.3180 10.3180 10.4233 10.4233 10.4456 10.4456 11.7545 11.7545 12.5160 12.5160 14.9918 14.9918 15.1653 15.1653 15.4927 15.4927 16.2250 16.2250 k =-0.3962 0.2966 0.0000 ( 1702 PWs) bands (ev): -29.3191 -29.3191 -10.4292 -10.4292 -9.1272 -9.1272 -8.8849 -8.8849 -1.6528 -1.6528 5.3948 5.3948 5.5721 5.5721 7.6464 7.6464 8.2487 8.2487 10.3037 10.3037 10.4149 10.4149 10.4346 10.4346 11.7605 11.7605 12.5518 12.5518 14.9929 14.9929 15.1792 15.1792 15.5406 15.5406 16.2893 16.2893 k =-0.4057 0.3037 0.0000 ( 1698 PWs) bands (ev): -29.3187 -29.3187 -10.4317 -10.4317 -9.1315 -9.1315 -8.8850 -8.8850 -1.6384 -1.6384 5.4079 5.4079 5.5875 5.5875 7.5821 7.5821 8.2280 8.2280 10.2901 10.2901 10.3967 10.3967 10.4353 10.4353 11.7664 11.7664 12.5858 12.5858 14.9939 14.9939 15.1896 15.1896 15.5861 15.5861 16.3572 16.3572 k =-0.4151 0.3107 0.0000 ( 1708 PWs) bands (ev): -29.3182 -29.3182 -10.4340 -10.4340 -9.1354 -9.1354 -8.8852 -8.8852 -1.6253 -1.6253 5.4198 5.4198 5.6039 5.6039 7.5207 7.5207 8.2091 8.2091 10.2774 10.2774 10.3780 10.3780 10.4377 10.4377 11.7720 11.7720 12.6175 12.6175 14.9947 14.9947 15.1971 15.1971 15.6287 15.6287 16.4270 16.4270 k =-0.4245 0.3178 0.0000 ( 1706 PWs) bands (ev): -29.3178 -29.3178 -10.4361 -10.4361 -9.1389 -9.1389 -8.8853 -8.8853 -1.6135 -1.6135 5.4307 5.4307 5.6208 5.6208 7.4629 7.4629 8.1920 8.1920 10.2658 10.2658 10.3610 10.3610 10.4404 10.4404 11.7773 11.7773 12.6470 12.6470 14.9955 14.9955 15.2025 15.2025 15.6681 15.6681 16.4969 16.4969 k =-0.4340 0.3249 0.0000 ( 1708 PWs) bands (ev): -29.3175 -29.3175 -10.4379 -10.4379 -9.1420 -9.1420 -8.8854 -8.8854 -1.6030 -1.6030 5.4404 5.4404 5.6379 5.6379 7.4095 7.4095 8.1769 8.1769 10.2553 10.2553 10.3457 10.3457 10.4429 10.4429 11.7822 11.7822 12.6736 12.6736 14.9962 14.9962 15.2061 15.2061 15.7038 15.7038 16.5651 16.5651 k =-0.4434 0.3319 0.0000 ( 1708 PWs) bands (ev): -29.3172 -29.3172 -10.4396 -10.4396 -9.1448 -9.1448 -8.8855 -8.8855 -1.5938 -1.5938 5.4490 5.4490 5.6545 5.6545 7.3610 7.3610 8.1637 8.1637 10.2461 10.2461 10.3323 10.3323 10.4451 10.4451 11.7865 11.7865 12.6973 12.6973 14.9968 14.9968 15.2086 15.2086 15.7356 15.7356 16.6298 16.6298 k =-0.4528 0.3390 0.0000 ( 1712 PWs) bands (ev): -29.3169 -29.3169 -10.4410 -10.4410 -9.1471 -9.1471 -8.8855 -8.8855 -1.5861 -1.5861 5.4563 5.4563 5.6700 5.6700 7.3183 7.3183 8.1525 8.1525 10.2383 10.2383 10.3210 10.3210 10.4469 10.4469 11.7902 11.7902 12.7178 12.7178 14.9973 14.9973 15.2101 15.2101 15.7631 15.7631 16.6890 16.6890 k =-0.4623 0.3460 0.0000 ( 1714 PWs) bands (ev): -29.3167 -29.3167 -10.4421 -10.4421 -9.1490 -9.1490 -8.8856 -8.8856 -1.5797 -1.5797 5.4623 5.4623 5.6837 5.6837 7.2821 7.2821 8.1433 8.1433 10.2318 10.2318 10.3115 10.3115 10.4484 10.4484 11.7934 11.7934 12.7349 12.7349 14.9977 14.9977 15.2111 15.2111 15.7861 15.7861 16.7408 16.7408 k =-0.4717 0.3531 0.0000 ( 1714 PWs) bands (ev): -29.3165 -29.3165 -10.4430 -10.4430 -9.1505 -9.1505 -8.8856 -8.8856 -1.5748 -1.5748 5.4671 5.4671 5.6952 5.6952 7.2531 7.2531 8.1361 8.1361 10.2267 10.2267 10.3043 10.3043 10.4496 10.4496 11.7959 11.7959 12.7484 12.7484 14.9980 14.9980 15.2116 15.2116 15.8042 15.8042 16.7835 16.7835 k =-0.4811 0.3602 0.0000 ( 1710 PWs) bands (ev): -29.3164 -29.3164 -10.4436 -10.4436 -9.1515 -9.1515 -8.8857 -8.8857 -1.5712 -1.5712 5.4705 5.4705 5.7039 5.7039 7.2319 7.2319 8.1310 8.1310 10.2230 10.2230 10.2991 10.2991 10.4505 10.4505 11.7978 11.7978 12.7582 12.7582 14.9983 14.9983 15.2120 15.2120 15.8173 15.8173 16.8154 16.8154 k =-0.4906 0.3672 0.0000 ( 1708 PWs) bands (ev): -29.3163 -29.3163 -10.4440 -10.4440 -9.1522 -9.1522 -8.8857 -8.8857 -1.5690 -1.5690 5.4725 5.4725 5.7093 5.7093 7.2189 7.2189 8.1279 8.1279 10.2208 10.2208 10.2959 10.2959 10.4511 10.4511 11.7990 11.7990 12.7641 12.7641 14.9984 14.9984 15.2121 15.2121 15.8253 15.8253 16.8351 16.8351 k =-0.5000 0.3743 0.0000 ( 1706 PWs) bands (ev): -29.3163 -29.3163 -10.4441 -10.4441 -9.1524 -9.1524 -8.8857 -8.8857 -1.5683 -1.5683 5.4732 5.4732 5.7111 5.7111 7.2146 7.2146 8.1269 8.1269 10.2201 10.2201 10.2949 10.2949 10.4513 10.4513 11.7993 11.7993 12.7660 12.7660 14.9984 14.9984 15.2122 15.2122 15.8279 15.8279 16.8418 16.8418 k =-0.5000 0.3743 0.0000 ( 1706 PWs) bands (ev): -29.3163 -29.3163 -10.4441 -10.4441 -9.1524 -9.1524 -8.8857 -8.8857 -1.5683 -1.5683 5.4732 5.4732 5.7111 5.7111 7.2146 7.2146 8.1269 8.1269 10.2201 10.2201 10.2949 10.2949 10.4513 10.4513 11.7993 11.7993 12.7660 12.7660 14.9984 14.9984 15.2122 15.2122 15.8279 15.8279 16.8418 16.8418 k =-0.4931 0.3835-0.0000 ( 1712 PWs) bands (ev): -29.3163 -29.3163 -10.4446 -10.4435 -9.1535 -9.1511 -8.8860 -8.8854 -1.5695 -1.5674 5.4669 5.4713 5.7122 5.7129 7.2177 7.2185 8.1266 8.1271 10.2205 10.2222 10.2924 10.2970 10.4531 10.4540 11.7958 11.7994 12.7652 12.7669 14.9931 14.9942 15.2103 15.2129 15.8277 15.8290 16.8389 16.8425 k =-0.4863 0.3926-0.0000 ( 1708 PWs) bands (ev): -29.3163 -29.3163 -10.4450 -10.4428 -9.1544 -9.1497 -8.8863 -8.8852 -1.5710 -1.5666 5.4528 5.4612 5.7165 5.7176 7.2278 7.2294 8.1263 8.1273 10.2235 10.2272 10.2899 10.2993 10.4595 10.4613 11.7892 11.7963 12.7645 12.7678 14.9784 14.9806 15.2074 15.2126 15.8284 15.8310 16.8340 16.8412 k =-0.4794 0.4018-0.0000 ( 1708 PWs) bands (ev): -29.3164 -29.3164 -10.4454 -10.4420 -9.1552 -9.1482 -8.8867 -8.8851 -1.5726 -1.5661 5.4312 5.4433 5.7237 5.7251 7.2444 7.2467 8.1259 8.1274 10.2285 10.2349 10.2873 10.3021 10.4702 10.4726 11.7794 11.7901 12.7638 12.7689 14.9547 14.9579 15.2036 15.2113 15.8300 15.8337 16.8269 16.8376 k =-0.4725 0.4110-0.0000 ( 1704 PWs) bands (ev): -29.3164 -29.3164 -10.4456 -10.4411 -9.1558 -9.1465 -8.8872 -8.8849 -1.5745 -1.5658 5.4028 5.4182 5.7341 5.7354 7.2671 7.2698 8.1255 8.1275 10.2352 10.2456 10.2851 10.3064 10.4846 10.4876 11.7665 11.7807 12.7632 12.7700 14.9227 14.9266 15.1991 15.2091 15.8324 15.8371 16.8175 16.8316 k =-0.4657 0.4202-0.0000 ( 1696 PWs) bands (ev): -29.3165 -29.3165 -10.4457 -10.4402 -9.1563 -9.1446 -8.8877 -8.8849 -1.5766 -1.5658 5.3683 5.3864 5.7474 5.7484 7.2951 7.2981 8.1251 8.1276 10.2430 10.2591 10.2836 10.3132 10.5025 10.5059 11.7506 11.7684 12.7627 12.7712 14.8830 14.8876 15.1939 15.2060 15.8355 15.8410 16.8058 16.8230 k =-0.4588 0.4294-0.0000 ( 1696 PWs) bands (ev): -29.3167 -29.3166 -10.4457 -10.4391 -9.1566 -9.1426 -8.8882 -8.8848 -1.5789 -1.5660 5.3285 5.3490 5.7637 5.7642 7.3276 7.3307 8.1249 8.1279 10.2511 10.2752 10.2830 10.3232 10.5232 10.5270 11.7316 11.7530 12.7624 12.7726 14.8364 14.8417 15.1883 15.2022 15.8393 15.8453 16.7915 16.8117 k =-0.4519 0.4385-0.0000 ( 1694 PWs) bands (ev): -29.3168 -29.3168 -10.4456 -10.4379 -9.1567 -9.1405 -8.8887 -8.8848 -1.5815 -1.5666 5.2841 5.3067 5.7828 5.7829 7.3637 7.3666 8.1247 8.1282 10.2592 10.2836 10.2941 10.3370 10.5466 10.5507 11.7100 11.7350 12.7620 12.7741 14.7840 14.7897 15.1824 15.1980 15.8436 15.8499 16.7746 16.7975 k =-0.4450 0.4477-0.0000 ( 1690 PWs) bands (ev): -29.3169 -29.3169 -10.4454 -10.4367 -9.1566 -9.1382 -8.8893 -8.8849 -1.5843 -1.5674 5.2360 5.2603 5.8042 5.8049 7.4027 7.4053 8.1248 8.1286 10.2673 10.2855 10.3155 10.3547 10.5725 10.5768 11.6856 11.7143 12.7619 12.7759 14.7264 14.7324 15.1763 15.1933 15.8483 15.8547 16.7548 16.7803 k =-0.4382 0.4569-0.0000 ( 1696 PWs) bands (ev): -29.3171 -29.3171 -10.4451 -10.4354 -9.1564 -9.1358 -8.8900 -8.8850 -1.5875 -1.5686 5.1848 5.2105 5.8284 5.8297 7.4437 7.4457 8.1251 8.1294 10.2756 10.2887 10.3392 10.3759 10.6005 10.6048 11.6589 11.6913 12.7618 12.7777 14.6647 14.6708 15.1704 15.1884 15.8531 15.8594 16.7321 16.7599 k =-0.4313 0.4661-0.0000 ( 1700 PWs) bands (ev): -29.3173 -29.3173 -10.4447 -10.4340 -9.1560 -9.1332 -8.8906 -8.8851 -1.5909 -1.5702 5.1312 5.1582 5.8553 5.8572 7.4860 7.4874 8.1257 8.1304 10.2844 10.2934 10.3652 10.4004 10.6306 10.6348 11.6297 11.6660 12.7618 12.7798 14.5996 14.6057 15.1646 15.1835 15.8579 15.8639 16.7064 16.7364 k =-0.4244 0.4752-0.0000 ( 1696 PWs) bands (ev): -29.3175 -29.3175 -10.4442 -10.4325 -9.1553 -9.1305 -8.8913 -8.8852 -1.5946 -1.5722 5.0759 5.1038 5.8849 5.8874 7.5290 7.5296 8.1268 8.1318 10.2941 10.2994 10.3935 10.4277 10.6627 10.6666 11.5986 11.6389 12.7621 12.7822 14.5318 14.5378 15.1592 15.1787 15.8627 15.8681 16.6779 16.7098 k =-0.4176 0.4844-0.0000 ( 1698 PWs) bands (ev): -29.3178 -29.3178 -10.4436 -10.4310 -9.1545 -9.1277 -8.8920 -8.8854 -1.5987 -1.5745 5.0192 5.0481 5.9172 5.9203 7.5718 7.5721 8.1284 8.1337 10.3045 10.3066 10.4237 10.4575 10.6964 10.6998 11.5656 11.6102 12.7627 12.7849 14.4620 14.4678 15.1543 15.1742 15.8670 15.8716 16.6466 16.6803 k =-0.4107 0.4936-0.0000 ( 1698 PWs) bands (ev): -29.3180 -29.3180 -10.4428 -10.4294 -9.1535 -9.1247 -8.8927 -8.8855 -1.6032 -1.5774 4.9618 4.9913 5.9521 5.9558 7.6135 7.6147 8.1305 8.1362 10.3149 10.3158 10.4556 10.4893 10.7319 10.7342 11.5312 11.5804 12.7634 12.7880 14.3908 14.3962 15.1499 15.1700 15.8706 15.8744 16.6130 16.6482 k =-0.4038 0.5028-0.0000 ( 1698 PWs) bands (ev): -29.3183 -29.3183 -10.4420 -10.4277 -9.1523 -9.1216 -8.8934 -8.8857 -1.6081 -1.5807 4.9040 4.9341 5.9896 5.9939 7.6542 7.6566 8.1333 8.1393 10.3242 10.3278 10.4892 10.5230 10.7688 10.7696 11.4956 11.5499 12.7644 12.7913 14.3188 14.3238 15.1462 15.1663 15.8733 15.8761 16.5773 16.6139 k =-0.3970 0.5119-0.0000 ( 1698 PWs) bands (ev): -29.3186 -29.3186 -10.4411 -10.4259 -9.1509 -9.1183 -8.8941 -8.8859 -1.6133 -1.5845 4.8462 4.8768 6.0296 6.0344 7.6937 7.6972 8.1367 8.1430 10.3343 10.3405 10.5242 10.5583 10.8054 10.8069 11.4592 11.5193 12.7656 12.7950 14.2466 14.2509 15.1432 15.1632 15.8746 15.8763 16.5401 16.5780 k =-0.3901 0.5211-0.0000 ( 1697 PWs) bands (ev): -29.3189 -29.3189 -10.4400 -10.4240 -9.1493 -9.1149 -8.8948 -8.8861 -1.6191 -1.5888 4.7887 4.8196 6.0721 6.0774 7.7317 7.7364 8.1410 8.1475 10.3450 10.3536 10.5603 10.5948 10.8412 10.8460 11.4227 11.4894 12.7668 12.7989 14.1746 14.1782 15.1411 15.1606 15.8742 15.8746 16.5021 16.5412 k =-0.3901 0.5211-0.0000 ( 1697 PWs) bands (ev): -29.3189 -29.3189 -10.4400 -10.4240 -9.1493 -9.1149 -8.8948 -8.8861 -1.6191 -1.5888 4.7887 4.8196 6.0721 6.0774 7.7317 7.7364 8.1410 8.1475 10.3450 10.3536 10.5603 10.5948 10.8412 10.8460 11.4227 11.4894 12.7668 12.7989 14.1746 14.1782 15.1411 15.1606 15.8742 15.8746 16.5021 16.5412 k =-0.3901 0.5211 0.0118 ( 1697 PWs) bands (ev): -29.3189 -29.3189 -10.4401 -10.4241 -9.1492 -9.1148 -8.8952 -8.8865 -1.6192 -1.5890 4.7885 4.8195 6.0728 6.0783 7.7313 7.7362 8.1407 8.1471 10.3453 10.3539 10.5603 10.5949 10.8409 10.8468 11.4227 11.4894 12.7662 12.7982 14.1738 14.1775 15.1425 15.1620 15.8735 15.8742 16.5045 16.5436 k =-0.3901 0.5211 0.0237 ( 1695 PWs) bands (ev): -29.3188 -29.3188 -10.4402 -10.4242 -9.1488 -9.1145 -8.8964 -8.8876 -1.6195 -1.5894 4.7880 4.8190 6.0750 6.0809 7.7300 7.7359 8.1401 8.1462 10.3463 10.3548 10.5603 10.5951 10.8404 10.8487 11.4229 11.4894 12.7641 12.7964 14.1712 14.1754 15.1470 15.1662 15.8714 15.8729 16.5116 16.5509 k =-0.3901 0.5211 0.0355 ( 1695 PWs) bands (ev): -29.3186 -29.3186 -10.4405 -10.4243 -9.1482 -9.1139 -8.8985 -8.8894 -1.6201 -1.5901 4.7869 4.8181 6.0787 6.0853 7.7280 7.7351 8.1390 8.1445 10.3479 10.3563 10.5603 10.5953 10.8401 10.8513 11.4232 11.4895 12.7608 12.7933 14.1671 14.1718 15.1543 15.1730 15.8684 15.8708 16.5235 16.5628 k =-0.3901 0.5211 0.0473 ( 1697 PWs) bands (ev): -29.3184 -29.3183 -10.4408 -10.4246 -9.1473 -9.1132 -8.9014 -8.8920 -1.6210 -1.5911 4.7855 4.8167 6.0840 6.0913 7.7253 7.7340 8.1373 8.1422 10.3500 10.3583 10.5604 10.5957 10.8402 10.8542 11.4236 11.4895 12.7561 12.7889 14.1615 14.1668 15.1642 15.1821 15.8647 15.8682 16.5399 16.5794 k =-0.3901 0.5211 0.0592 ( 1691 PWs) bands (ev): -29.3180 -29.3180 -10.4413 -10.4249 -9.1461 -9.1122 -8.9050 -8.8953 -1.6220 -1.5924 4.7835 4.8150 6.0908 6.0991 7.7223 7.7325 8.1351 8.1394 10.3527 10.3609 10.5610 10.5964 10.8409 10.8577 11.4241 11.4895 12.7501 12.7833 14.1547 14.1605 15.1762 15.1932 15.8607 15.8656 16.5609 16.6006 k =-0.3901 0.5211 0.0710 ( 1690 PWs) bands (ev): -29.3176 -29.3176 -10.4418 -10.4252 -9.1448 -9.1110 -8.9093 -8.8993 -1.6233 -1.5940 4.7811 4.8126 6.0993 6.1086 7.7188 7.7307 8.1321 8.1360 10.3558 10.3639 10.5619 10.5973 10.8420 10.8613 11.4247 11.4896 12.7429 12.7766 14.1466 14.1528 15.1900 15.2057 15.8570 15.8635 16.5863 16.6261 k =-0.3901 0.5211 0.0828 ( 1696 PWs) bands (ev): -29.3172 -29.3172 -10.4425 -10.4257 -9.1432 -9.1096 -8.9143 -8.9039 -1.6249 -1.5958 4.7780 4.8097 6.1094 6.1198 7.7151 7.7287 8.1282 8.1323 10.3591 10.3671 10.5635 10.5985 10.8435 10.8651 11.4253 11.4896 12.7343 12.7686 14.1373 14.1438 15.2048 15.2191 15.8542 15.8626 16.6157 16.6557 k =-0.3901 0.5211 0.0946 ( 1702 PWs) bands (ev): -29.3167 -29.3167 -10.4433 -10.4263 -9.1414 -9.1080 -8.9200 -8.9092 -1.6267 -1.5979 4.7743 4.8060 6.1212 6.1327 7.7112 7.7265 8.1233 8.1282 10.3625 10.3706 10.5660 10.6003 10.8454 10.8690 11.4260 11.4896 12.7246 12.7595 14.1271 14.1336 15.2201 15.2327 15.8531 15.8636 16.6491 16.6893 k =-0.3901 0.5211 0.1065 ( 1702 PWs) bands (ev): -29.3161 -29.3161 -10.4442 -10.4269 -9.1394 -9.1062 -8.9262 -8.9152 -1.6286 -1.6003 4.7699 4.8016 6.1348 6.1473 7.7074 7.7242 8.1175 8.1238 10.3656 10.3745 10.5695 10.6028 10.8479 10.8732 11.4268 11.4896 12.7139 12.7494 14.1159 14.1222 15.2351 15.2458 15.8546 15.8676 16.6862 16.7265 k =-0.3901 0.5211 0.1183 ( 1704 PWs) bands (ev): -29.3155 -29.3154 -10.4452 -10.4277 -9.1372 -9.1043 -8.9329 -8.9217 -1.6308 -1.6029 4.7648 4.7964 6.1500 6.1636 7.7036 7.7220 8.1109 8.1188 10.3683 10.3785 10.5741 10.6061 10.8508 10.8775 11.4277 11.4896 12.7021 12.7383 14.1036 14.1096 15.2490 15.2576 15.8597 15.8752 16.7267 16.7671 k =-0.3901 0.5211 0.1301 ( 1706 PWs) bands (ev): -29.3148 -29.3148 -10.4463 -10.4285 -9.1348 -9.1023 -8.9401 -8.9287 -1.6332 -1.6058 4.7590 4.7903 6.1669 6.1814 7.7002 7.7200 8.1034 8.1131 10.3704 10.3825 10.5798 10.6103 10.8543 10.8820 11.4285 11.4896 12.6893 12.7264 14.0904 14.0960 15.2610 15.2677 15.8691 15.8872 16.7703 16.8108 k =-0.3901 0.5211 0.1420 ( 1706 PWs) bands (ev): -29.3140 -29.3140 -10.4475 -10.4295 -9.1324 -9.1001 -8.9476 -8.9362 -1.6358 -1.6089 4.7523 4.7833 6.1854 6.2008 7.6972 7.7183 8.0953 8.1069 10.3719 10.3865 10.5867 10.6157 10.8585 10.8869 11.4295 11.4895 12.6757 12.7136 14.0760 14.0812 15.2706 15.2755 15.8838 15.9044 16.8168 16.8572 k =-0.3901 0.5211 0.1538 ( 1708 PWs) bands (ev): -29.3132 -29.3132 -10.4488 -10.4306 -9.1298 -9.0979 -8.9554 -8.9441 -1.6386 -1.6123 4.7448 4.7754 6.2054 6.2216 7.6948 7.7171 8.0864 8.0999 10.3727 10.3902 10.5946 10.6223 10.8634 10.8923 11.4304 11.4894 12.6612 12.7000 14.0602 14.0654 15.2770 15.2809 15.9040 15.9271 16.8657 16.9060 k =-0.3901 0.5211 0.1656 ( 1707 PWs) bands (ev): -29.3124 -29.3124 -10.4502 -10.4318 -9.1271 -9.0955 -8.9634 -8.9523 -1.6416 -1.6159 4.7365 4.7665 6.2270 6.2437 7.6931 7.7164 8.0767 8.0921 10.3728 10.3936 10.6032 10.6300 10.8694 10.8983 11.4314 11.4893 12.6461 12.6859 14.0429 14.0486 15.2802 15.2842 15.9301 15.9553 16.9169 16.9570 k =-0.3901 0.5211 0.1775 ( 1702 PWs) bands (ev): -29.3115 -29.3115 -10.4517 -10.4331 -9.1244 -9.0932 -8.9715 -8.9609 -1.6447 -1.6197 4.7274 4.7566 6.2499 6.2671 7.6924 7.7164 8.0664 8.0837 10.3724 10.3963 10.6121 10.6390 10.8767 10.9053 11.4324 11.4892 12.6303 12.6712 14.0238 14.0307 15.2803 15.2853 15.9619 15.9890 16.9700 17.0098 k =-0.3901 0.5211 0.1893 ( 1707 PWs) bands (ev): -29.3106 -29.3106 -10.4534 -10.4346 -9.1218 -9.0909 -8.9796 -8.9697 -1.6480 -1.6237 4.7175 4.7458 6.2739 6.2915 7.6926 7.7171 8.0555 8.0745 10.3713 10.3985 10.6208 10.6486 10.8855 10.9136 11.4334 11.4890 12.6139 12.6560 14.0028 14.0116 15.2781 15.2844 15.9991 16.0277 17.0248 17.0640 k =-0.3901 0.5211 0.2011 ( 1711 PWs) bands (ev): -29.3097 -29.3096 -10.4551 -10.4362 -9.1193 -9.0886 -8.9875 -8.9786 -1.6515 -1.6279 4.7069 4.7342 6.2990 6.3168 7.6940 7.7188 8.0439 8.0646 10.3697 10.4000 10.6291 10.6586 10.8963 10.9235 11.4343 11.4887 12.5970 12.6405 13.9799 13.9910 15.2741 15.2817 16.0412 16.0711 17.0809 17.1195 k =-0.3901 0.5211 0.2130 ( 1706 PWs) bands (ev): -29.3087 -29.3087 -10.4570 -10.4380 -9.1169 -9.0865 -8.9951 -8.9875 -1.6551 -1.6322 4.6956 4.7218 6.3250 6.3428 7.6966 7.7215 8.0318 8.0540 10.3678 10.4009 10.6368 10.6686 10.9096 10.9358 11.4354 11.4885 12.5797 12.6247 13.9549 13.9688 15.2689 15.2779 16.0874 16.1184 17.1381 17.1760 k =-0.3901 0.5211 0.2248 ( 1712 PWs) bands (ev): -29.3077 -29.3077 -10.4589 -10.4399 -9.1148 -9.0846 -9.0023 -8.9964 -1.6588 -1.6367 4.6836 4.7086 6.3516 6.3693 7.7006 7.7252 8.0193 8.0428 10.3655 10.4011 10.6431 10.6777 10.9255 10.9506 11.4364 11.4882 12.5620 12.6088 13.9278 13.9447 15.2630 15.2732 16.1373 16.1691 17.1962 17.2331 k =-0.3901 0.5211 0.2366 ( 1712 PWs) bands (ev): -29.3067 -29.3067 -10.4609 -10.4419 -9.1132 -9.0830 -9.0089 -9.0051 -1.6626 -1.6414 4.6711 4.6948 6.3787 6.3962 7.7059 7.7300 8.0064 8.0311 10.3630 10.4008 10.6482 10.6854 10.9444 10.9686 11.4374 11.4880 12.5442 12.5928 13.8986 13.9187 15.2567 15.2682 16.1900 16.2225 17.2550 17.2907 k =-0.3901 0.5211 0.2485 ( 1716 PWs) bands (ev): -29.3057 -29.3056 -10.4630 -10.4441 -9.1122 -9.0819 -9.0150 -9.0129 -1.6666 -1.6462 4.6581 4.6804 6.4061 6.4231 7.7125 7.7358 7.9934 8.0190 10.3603 10.4000 10.6516 10.6913 10.9664 10.9900 11.4385 11.4877 12.5263 12.5770 13.8670 13.8906 15.2504 15.2631 16.2449 16.2780 17.3143 17.3486 k =-0.3901 0.5211 0.2603 ( 1719 PWs) bands (ev): -29.3046 -29.3046 -10.4652 -10.4463 -9.1121 -9.0814 -9.0221 -9.0183 -1.6706 -1.6510 4.6447 4.6656 6.4335 6.4500 7.7203 7.7427 7.9804 8.0068 10.3575 10.3988 10.6533 10.6951 10.9917 11.0150 11.4396 11.4874 12.5082 12.5612 13.8332 13.8603 15.2444 15.2583 16.3013 16.3350 17.3741 17.4067 k =-0.3901 0.5211 0.2721 ( 1721 PWs) bands (ev): -29.3036 -29.3036 -10.4675 -10.4487 -9.1128 -9.0817 -9.0289 -9.0218 -1.6746 -1.6559 4.6309 4.6504 6.4607 6.4766 7.7289 7.7505 7.9677 7.9946 10.3546 10.3973 10.6534 10.6970 11.0201 11.0435 11.4407 11.4872 12.4902 12.5456 13.7971 13.8278 15.2387 15.2538 16.3585 16.3927 17.4341 17.4647 k =-0.3901 0.5211 0.2839 ( 1723 PWs) bands (ev): -29.3025 -29.3025 -10.4698 -10.4512 -9.1147 -9.0830 -9.0347 -9.0239 -1.6787 -1.6609 4.6170 4.6350 6.4876 6.5028 7.7377 7.7591 7.9557 7.9830 10.3516 10.3954 10.6518 10.6967 11.0516 11.0755 11.4419 11.4869 12.4723 12.5304 13.7587 13.7930 15.2336 15.2497 16.4159 16.4505 17.4943 17.5227 k =-0.3901 0.5211 0.2958 ( 1721 PWs) bands (ev): -29.3015 -29.3015 -10.4721 -10.4538 -9.1175 -9.0856 -9.0389 -9.0249 -1.6827 -1.6659 4.6029 4.6195 6.5140 6.5284 7.7460 7.7684 7.9448 7.9726 10.3487 10.3933 10.6489 10.6947 11.0859 11.1105 11.4433 11.4867 12.4545 12.5156 13.7180 13.7560 15.2291 15.2462 16.4727 16.5077 17.5549 17.5807 k =-0.3901 0.5211 0.3076 ( 1719 PWs) bands (ev): -29.3005 -29.3005 -10.4745 -10.4565 -9.1213 -9.0895 -9.0414 -9.0249 -1.6868 -1.6708 4.5889 4.6040 6.5397 6.5533 7.7525 7.7779 7.9357 7.9644 10.3459 10.3911 10.6447 10.6911 11.1228 11.1484 11.4447 11.4866 12.4370 12.5012 13.6752 13.7169 15.2251 15.2431 16.5283 16.5636 17.6157 17.6385 k =-0.3901 0.5211 0.3194 ( 1723 PWs) bands (ev): -29.2995 -29.2995 -10.4769 -10.4593 -9.1257 -9.0947 -9.0424 -9.0242 -1.6908 -1.6758 4.5748 4.5885 6.5647 6.5774 7.7561 7.7866 7.9291 7.9594 10.3430 10.3886 10.6394 10.6860 11.1619 11.1887 11.4464 11.4866 12.4197 12.4873 13.6303 13.6755 15.2216 15.2404 16.5819 16.6175 17.6767 17.6961 k =-0.3901 0.5211 0.3313 ( 1723 PWs) bands (ev): -29.2985 -29.2985 -10.4793 -10.4621 -9.1306 -9.1007 -9.0421 -9.0230 -1.6948 -1.6807 4.5609 4.5733 6.5887 6.6007 7.7562 7.7931 7.9262 7.9587 10.3402 10.3859 10.6332 10.6797 11.2032 11.2311 11.4485 11.4867 12.4029 12.4740 13.5835 13.6322 15.2186 15.2381 16.6330 16.6686 17.7380 17.7535 k =-0.3901 0.5211 0.3431 ( 1721 PWs) bands (ev): -29.2976 -29.2976 -10.4817 -10.4649 -9.1357 -9.1071 -9.0409 -9.0213 -1.6987 -1.6855 4.5473 4.5584 6.6117 6.6230 7.7525 7.7954 7.9283 7.9628 10.3376 10.3831 10.6264 10.6725 11.2461 11.2750 11.4514 11.4870 12.3864 12.4613 13.5349 13.5871 15.2160 15.2361 16.6808 16.7165 17.7992 17.8107 k =-0.3901 0.5211 0.3549 ( 1723 PWs) bands (ev): -29.2967 -29.2967 -10.4840 -10.4678 -9.1408 -9.1138 -9.0392 -9.0194 -1.7026 -1.6901 4.5340 4.5439 6.6336 6.6444 7.7454 7.7928 7.9361 7.9713 10.3350 10.3802 10.6189 10.6644 11.2903 11.3195 11.4557 11.4877 12.3703 12.4492 13.4847 13.5402 15.2138 15.2344 16.7249 16.7604 17.8584 17.8681 k =-0.3901 0.5211 0.3668 ( 1721 PWs) bands (ev): -29.2958 -29.2958 -10.4863 -10.4706 -9.1459 -9.1204 -9.0372 -9.0174 -1.7062 -1.6947 4.5211 4.5299 6.6544 6.6647 7.7357 7.7857 7.9488 7.9835 10.3326 10.3772 10.6111 10.6557 11.3349 11.3628 11.4632 11.4891 12.3548 12.4379 13.4332 13.4919 15.2118 15.2327 16.7649 16.7999 17.9113 17.9272 k =-0.3901 0.5211 0.3786 ( 1721 PWs) bands (ev): -29.2949 -29.2949 -10.4884 -10.4734 -9.1509 -9.1270 -9.0350 -9.0152 -1.7098 -1.6990 4.5086 4.5165 6.6741 6.6839 7.7240 7.7753 7.9652 7.9984 10.3304 10.3741 10.6031 10.6465 11.3778 11.4009 11.4779 11.4930 12.3397 12.4272 13.3806 13.4424 15.2100 15.2312 16.8004 16.8349 17.9543 17.9850 k =-0.3901 0.5211 0.3904 ( 1719 PWs) bands (ev): -29.2941 -29.2941 -10.4905 -10.4762 -9.1555 -9.1332 -9.0326 -9.0131 -1.7132 -1.7032 4.4967 4.5039 6.6926 6.7021 7.7111 7.7629 7.9839 8.0151 10.3283 10.3709 10.5952 10.6370 11.4105 11.4327 11.4951 11.5126 12.3252 12.4173 13.3273 13.3920 15.2083 15.2297 16.8314 16.8651 17.9833 18.0290 k =-0.3901 0.5211 0.4023 ( 1719 PWs) bands (ev): -29.2934 -29.2934 -10.4925 -10.4788 -9.1599 -9.1392 -9.0303 -9.0110 -1.7164 -1.7072 4.4854 4.4920 6.7099 6.7192 7.6975 7.7495 8.0037 8.0329 10.3264 10.3676 10.5874 10.6274 11.4254 11.4588 11.5155 11.5540 12.3112 12.4079 13.2736 13.3411 15.2067 15.2282 16.8578 16.8907 17.9982 18.0423 k =-0.3901 0.5211 0.4141 ( 1713 PWs) bands (ev): -29.2927 -29.2927 -10.4944 -10.4814 -9.1639 -9.1449 -9.0281 -9.0090 -1.7193 -1.7109 4.4748 4.4810 6.7260 6.7351 7.6837 7.7356 8.0239 8.0510 10.3248 10.3643 10.5800 10.6179 11.4321 11.4703 11.5526 11.6022 12.2979 12.3992 13.2201 13.2899 15.2053 15.2268 16.8800 16.9118 18.0048 18.0420 k =-0.3901 0.5211 0.4259 ( 1713 PWs) bands (ev): -29.2920 -29.2920 -10.4961 -10.4838 -9.1675 -9.1501 -9.0260 -9.0071 -1.7221 -1.7143 4.4649 4.4710 6.7408 6.7497 7.6702 7.7218 8.0439 8.0690 10.3234 10.3609 10.5730 10.6084 11.4358 11.4745 11.5973 11.6527 12.2854 12.3909 13.1672 13.2391 15.2038 15.2253 16.8982 16.9289 18.0083 18.0406 k =-0.3901 0.5211 0.4378 ( 1715 PWs) bands (ev): -29.2915 -29.2915 -10.4976 -10.4861 -9.1708 -9.1550 -9.0240 -9.0053 -1.7246 -1.7174 4.4559 4.4619 6.7544 6.7631 7.6572 7.7084 8.0630 8.0863 10.3222 10.3574 10.5667 10.5993 11.4382 11.4763 11.6437 11.7037 12.2736 12.3828 13.1156 13.1890 15.2025 15.2238 16.9128 16.9423 18.0112 18.0405 k =-0.3901 0.5211 0.4496 ( 1717 PWs) bands (ev): -29.2909 -29.2909 -10.4990 -10.4882 -9.1736 -9.1594 -9.0222 -9.0037 -1.7269 -1.7203 4.4477 4.4538 6.7667 6.7751 7.6450 7.6959 8.0810 8.1026 10.3213 10.3539 10.5611 10.5906 11.4399 11.4774 11.6898 11.7538 12.2629 12.3745 13.0664 13.1405 15.2012 15.2224 16.9243 16.9527 18.0143 18.0422 k =-0.3901 0.5211 0.4614 ( 1717 PWs) bands (ev): -29.2905 -29.2905 -10.5002 -10.4901 -9.1759 -9.1633 -9.0205 -9.0023 -1.7289 -1.7228 4.4405 4.4467 6.7776 6.7856 7.6339 7.6844 8.0973 8.1175 10.3206 10.3506 10.5565 10.5824 11.4411 11.4780 11.7345 11.8019 12.2538 12.3659 13.0204 13.0943 15.2000 15.2211 16.9332 16.9605 18.0179 18.0451 k =-0.3901 0.5211 0.4732 ( 1711 PWs) bands (ev): -29.2901 -29.2901 -10.5012 -10.4917 -9.1778 -9.1667 -9.0191 -9.0011 -1.7306 -1.7249 4.4343 4.4407 6.7870 6.7947 7.6241 7.6742 8.1117 8.1306 10.3204 10.3474 10.5528 10.5749 11.4421 11.4784 11.7766 11.8465 12.2470 12.3561 12.9789 13.0513 15.1990 15.2199 16.9398 16.9662 18.0217 18.0487 k =-0.3901 0.5211 0.4851 ( 1711 PWs) bands (ev): -29.2898 -29.2898 -10.5020 -10.4931 -9.1792 -9.1696 -9.0180 -9.0001 -1.7320 -1.7267 4.4291 4.4358 6.7949 6.8022 7.6158 7.6656 8.1238 8.1417 10.3203 10.3445 10.5501 10.5682 11.4428 11.4787 11.8152 11.8857 12.2432 12.3447 12.9432 13.0125 15.1980 15.2188 16.9447 16.9703 18.0255 18.0526 k =-0.3901 0.5211 0.4969 ( 1705 PWs) bands (ev): -29.2895 -29.2895 -10.5026 -10.4942 -9.1803 -9.1720 -9.0170 -8.9992 -1.7330 -1.7281 4.4251 4.4319 6.8011 6.8082 7.6091 7.6587 8.1335 8.1506 10.3204 10.3419 10.5486 10.5623 11.4434 11.4789 11.8488 11.9174 12.2440 12.3311 12.9146 12.9795 15.1973 15.2180 16.9481 16.9731 18.0288 18.0563 k =-0.3901 0.5211 0.5087 ( 1705 PWs) bands (ev): -29.2893 -29.2893 -10.5031 -10.4950 -9.1810 -9.1738 -9.0164 -8.9987 -1.7338 -1.7291 4.4222 4.4291 6.8057 6.8124 7.6043 7.6536 8.1406 8.1570 10.3206 10.3399 10.5481 10.5574 11.4437 11.4790 11.8758 11.9397 12.2502 12.3152 12.8941 12.9538 15.1968 15.2174 16.9503 16.9749 18.0315 18.0592 k =-0.3901 0.5211 0.5206 ( 1704 PWs) bands (ev): -29.2892 -29.2892 -10.5033 -10.4955 -9.1813 -9.1749 -9.0160 -8.9983 -1.7343 -1.7297 4.4204 4.4274 6.8085 6.8150 7.6013 7.6505 8.1449 8.1609 10.3209 10.3385 10.5488 10.5535 11.4440 11.4791 11.8939 11.9522 12.2618 12.2977 12.8819 12.9372 15.1965 15.2170 16.9516 16.9758 18.0332 18.0611 k =-0.3901 0.5211 0.5324 ( 1706 PWs) bands (ev): -29.2892 -29.2892 -10.5034 -10.4957 -9.1814 -9.1753 -9.0158 -8.9982 -1.7345 -1.7299 4.4199 4.4269 6.8094 6.8158 7.6003 7.6495 8.1463 8.1623 10.3210 10.3380 10.5502 10.5508 11.4440 11.4791 11.9004 11.9561 12.2737 12.2839 12.8780 12.9314 15.1963 15.2168 16.9520 16.9761 18.0338 18.0617 k =-0.3901 0.5211 0.5324 ( 1706 PWs) bands (ev): -29.2892 -29.2892 -10.5034 -10.4957 -9.1814 -9.1753 -9.0158 -8.9982 -1.7345 -1.7299 4.4199 4.4269 6.8094 6.8158 7.6003 7.6495 8.1463 8.1623 10.3210 10.3380 10.5502 10.5508 11.4440 11.4791 11.9004 11.9561 12.2737 12.2839 12.8780 12.9314 15.1963 15.2168 16.9520 16.9761 18.0338 18.0617 k =-0.3970 0.5119 0.5324 ( 1702 PWs) bands (ev): -29.2889 -29.2889 -10.5039 -10.4965 -9.1817 -9.1759 -9.0172 -9.0004 -1.7343 -1.7299 4.4522 4.4592 6.7506 6.7565 7.5991 7.6462 8.1549 8.1701 10.3366 10.3533 10.5011 10.5016 11.4825 11.5156 11.9213 11.9750 12.2746 12.2846 12.8656 12.9175 15.1943 15.2131 16.9993 17.0225 18.0190 18.0446 k =-0.4038 0.5028 0.5324 ( 1704 PWs) bands (ev): -29.2886 -29.2886 -10.5044 -10.4973 -9.1819 -9.1765 -9.0183 -9.0025 -1.7341 -1.7300 4.4862 4.4931 6.6914 6.6967 7.5974 7.6422 8.1629 8.1773 10.3514 10.3669 10.4566 10.4569 11.5194 11.5505 11.9414 11.9928 12.2757 12.2853 12.8521 12.9020 15.1944 15.2115 17.0460 17.0682 18.0082 18.0315 k =-0.4107 0.4936 0.5324 ( 1710 PWs) bands (ev): -29.2883 -29.2883 -10.5048 -10.4981 -9.1821 -9.1771 -9.0193 -9.0044 -1.7340 -1.7301 4.5216 4.5284 6.6320 6.6368 7.5954 7.6376 8.1702 8.1837 10.3618 10.3725 10.4192 10.4239 11.5544 11.5834 11.9606 12.0095 12.2769 12.2860 12.8376 12.8853 15.1962 15.2116 17.0918 17.1130 18.0013 18.0224 k =-0.4176 0.4844 0.5324 ( 1710 PWs) bands (ev): -29.2880 -29.2880 -10.5052 -10.4989 -9.1824 -9.1777 -9.0202 -9.0063 -1.7339 -1.7302 4.5583 4.5649 6.5729 6.5771 7.5931 7.6327 8.1769 8.1896 10.3523 10.3535 10.4051 10.4188 11.5876 11.6146 11.9787 12.0249 12.2782 12.2868 12.8228 12.8679 15.1993 15.2130 17.1365 17.1567 17.9983 18.0173 k =-0.4244 0.4752 0.5324 ( 1714 PWs) bands (ev): -29.2878 -29.2878 -10.5055 -10.4997 -9.1826 -9.1784 -9.0209 -9.0080 -1.7338 -1.7304 4.5958 4.6022 6.5144 6.5180 7.5906 7.6275 8.1830 8.1948 10.3214 10.3227 10.4141 10.4296 11.6189 11.6437 11.9958 12.0390 12.2795 12.2875 12.8078 12.8501 15.2031 15.2152 17.1798 17.1989 17.9989 18.0158 k =-0.4313 0.4661 0.5324 ( 1718 PWs) bands (ev): -29.2876 -29.2876 -10.5057 -10.5004 -9.1828 -9.1790 -9.0214 -9.0096 -1.7338 -1.7306 4.6338 4.6399 6.4569 6.4599 7.5882 7.6221 8.1886 8.1995 10.2893 10.2909 10.4280 10.4433 11.6479 11.6707 12.0118 12.0518 12.2808 12.2883 12.7931 12.8324 15.2075 15.2181 17.2215 17.2393 18.0027 18.0177 k =-0.4382 0.4569 0.5324 ( 1718 PWs) bands (ev): -29.2874 -29.2874 -10.5060 -10.5011 -9.1830 -9.1795 -9.0218 -9.0111 -1.7337 -1.7309 4.6718 4.6776 6.4010 6.4035 7.5858 7.6167 8.1936 8.2035 10.2596 10.2613 10.4426 10.4571 11.6747 11.6953 12.0266 12.0632 12.2822 12.2890 12.7790 12.8151 15.2122 15.2212 17.2612 17.2777 18.0094 18.0226 k =-0.4450 0.4477 0.5324 ( 1718 PWs) bands (ev): -29.2872 -29.2872 -10.5061 -10.5017 -9.1831 -9.1801 -9.0221 -9.0125 -1.7337 -1.7311 4.7094 4.7148 6.3473 6.3494 7.5836 7.6113 8.1982 8.2070 10.2327 10.2344 10.4568 10.4702 11.6992 11.7176 12.0401 12.0732 12.2836 12.2896 12.7658 12.7984 15.2167 15.2244 17.2985 17.3136 18.0184 18.0299 k =-0.4519 0.4385 0.5324 ( 1718 PWs) bands (ev): -29.2871 -29.2871 -10.5062 -10.5023 -9.1833 -9.1806 -9.0222 -9.0138 -1.7336 -1.7314 4.7457 4.7507 6.2966 6.2981 7.5817 7.6061 8.2022 8.2100 10.2091 10.2106 10.4702 10.4824 11.7211 11.7373 12.0524 12.0817 12.2849 12.2902 12.7538 12.7828 15.2211 15.2275 17.3330 17.3466 18.0293 18.0391 k =-0.4588 0.4294 0.5324 ( 1714 PWs) bands (ev): -29.2869 -29.2869 -10.5063 -10.5029 -9.1834 -9.1811 -9.0223 -9.0150 -1.7336 -1.7316 4.7802 4.7847 6.2496 6.2507 7.5802 7.6012 8.2057 8.2124 10.1886 10.1900 10.4826 10.4934 11.7405 11.7544 12.0634 12.0888 12.2862 12.2907 12.7433 12.7685 15.2251 15.2303 17.3643 17.3762 18.0412 18.0494 k =-0.4657 0.4202 0.5324 ( 1714 PWs) bands (ev): -29.2868 -29.2868 -10.5063 -10.5035 -9.1834 -9.1815 -9.0222 -9.0161 -1.7335 -1.7319 4.8120 4.8159 6.2072 6.2080 7.5790 7.5966 8.2087 8.2143 10.1713 10.1724 10.4935 10.5028 11.7571 11.7688 12.0731 12.0944 12.2874 12.2911 12.7344 12.7556 15.2286 15.2328 17.3919 17.4021 18.0534 18.0601 k =-0.4725 0.4110 0.5324 ( 1718 PWs) bands (ev): -29.2867 -29.2867 -10.5062 -10.5040 -9.1835 -9.1819 -9.0220 -9.0172 -1.7335 -1.7321 4.8400 4.8433 6.1704 6.1710 7.5783 7.5925 8.2112 8.2158 10.1571 10.1581 10.5029 10.5105 11.7710 11.7803 12.0814 12.0986 12.2884 12.2914 12.7273 12.7444 15.2316 15.2348 17.4154 17.4238 18.0652 18.0704 k =-0.4794 0.4018 0.5324 ( 1718 PWs) bands (ev): -29.2866 -29.2866 -10.5061 -10.5044 -9.1834 -9.1823 -9.0217 -9.0181 -1.7334 -1.7324 4.8634 4.8659 6.1404 6.1407 7.5781 7.5888 8.2133 8.2167 10.1462 10.1470 10.5106 10.5164 11.7821 11.7891 12.0884 12.1013 12.2893 12.2915 12.7221 12.7351 15.2340 15.2363 17.4345 17.4409 18.0755 18.0794 k =-0.4863 0.3926 0.5324 ( 1714 PWs) bands (ev): -29.2866 -29.2866 -10.5059 -10.5048 -9.1834 -9.1826 -9.0214 -9.0189 -1.7332 -1.7326 4.8811 4.8828 6.1180 6.1182 7.5785 7.5856 8.2150 8.2173 10.1387 10.1392 10.5164 10.5203 11.7905 11.7952 12.0940 12.1026 12.2901 12.2916 12.7190 12.7277 15.2358 15.2374 17.4487 17.4530 18.0839 18.0864 k =-0.4931 0.3835 0.5324 ( 1714 PWs) bands (ev): -29.2865 -29.2865 -10.5057 -10.5052 -9.1832 -9.1829 -9.0209 -9.0197 -1.7331 -1.7328 4.8922 4.8931 6.1042 6.1043 7.5794 7.5830 8.2162 8.2174 10.1342 10.1345 10.5203 10.5222 11.7959 11.7982 12.0982 12.1026 12.2907 12.2914 12.7180 12.7224 15.2371 15.2378 17.4578 17.4600 18.0894 18.0907 k =-0.5000 0.3743 0.5324 ( 1720 PWs) bands (ev): -29.2865 -29.2865 -10.5055 -10.5055 -9.1831 -9.1831 -9.0203 -9.0203 -1.7330 -1.7330 4.8963 4.8963 6.0996 6.0996 7.5809 7.5809 8.2170 8.2170 10.1327 10.1327 10.5222 10.5222 11.7984 11.7984 12.1011 12.1011 12.2911 12.2911 12.7191 12.7191 15.2377 15.2377 17.4616 17.4616 18.0917 18.0917 k =-0.5000 0.3743 0.5324 ( 1720 PWs) bands (ev): -29.2865 -29.2865 -10.5055 -10.5055 -9.1831 -9.1831 -9.0203 -9.0203 -1.7330 -1.7330 4.8963 4.8963 6.0996 6.0996 7.5809 7.5809 8.2170 8.2170 10.1327 10.1327 10.5222 10.5222 11.7984 11.7984 12.1011 12.1011 12.2911 12.2911 12.7191 12.7191 15.2377 15.2377 17.4616 17.4616 18.0917 18.0917 k =-0.5000 0.3743 0.5206 ( 1720 PWs) bands (ev): -29.2866 -29.2866 -10.5059 -10.5048 -9.1838 -9.1819 -9.0207 -9.0202 -1.7330 -1.7324 4.8970 4.8970 6.0990 6.0992 7.5815 7.5827 8.2148 8.2155 10.1310 10.1338 10.5206 10.5240 11.7983 11.7985 12.0669 12.1126 12.2639 12.3297 12.7150 12.7369 15.2367 15.2376 17.4523 17.4561 18.0967 18.1024 k =-0.5000 0.3743 0.5087 ( 1720 PWs) bands (ev): -29.2867 -29.2867 -10.5061 -10.5039 -9.1841 -9.1802 -9.0212 -9.0203 -1.7327 -1.7315 4.8990 4.8990 6.0975 6.0978 7.5843 7.5867 8.2089 8.2103 10.1289 10.1346 10.5192 10.5260 11.7982 11.7986 12.0217 12.0894 12.2623 12.3666 12.7261 12.7663 15.2346 15.2363 17.4295 17.4367 18.1168 18.1275 k =-0.5000 0.3743 0.4969 ( 1718 PWs) bands (ev): -29.2869 -29.2869 -10.5060 -10.5028 -9.1839 -9.1781 -9.0219 -9.0206 -1.7318 -1.7301 4.9023 4.9024 6.0951 6.0955 7.5895 7.5931 8.1994 8.2015 10.1264 10.1348 10.5181 10.5282 11.7982 11.7989 11.9701 12.0415 12.2780 12.3962 12.7532 12.8056 15.2314 15.2338 17.3960 17.4056 18.1495 18.1643 k =-0.5000 0.3743 0.4851 ( 1714 PWs) bands (ev): -29.2871 -29.2871 -10.5057 -10.5015 -9.1832 -9.1756 -9.0229 -9.0211 -1.7305 -1.7282 4.9069 4.9071 6.0917 6.0923 7.5969 7.6016 8.1864 8.1891 10.1235 10.1346 10.5173 10.5305 11.7980 11.7990 11.9146 11.9833 12.2984 12.4178 12.7948 12.8531 15.2271 15.2304 17.3546 17.3658 18.1919 18.2100 k =-0.5000 0.3743 0.4732 ( 1714 PWs) bands (ev): -29.2874 -29.2874 -10.5052 -10.4999 -9.1821 -9.1726 -9.0240 -9.0218 -1.7288 -1.7259 4.9128 4.9130 6.0875 6.0883 7.6064 7.6122 8.1698 8.1733 10.1202 10.1339 10.5165 10.5328 11.7976 11.7992 11.8566 11.9211 12.3186 12.4329 12.8478 12.9072 15.2217 15.2258 17.3077 17.3199 18.2414 18.2618 k =-0.5000 0.3743 0.4614 ( 1722 PWs) bands (ev): -29.2878 -29.2878 -10.5045 -10.4982 -9.1806 -9.1691 -9.0254 -9.0226 -1.7267 -1.7232 4.9200 4.9202 6.0824 6.0836 7.6179 7.6247 8.1499 8.1542 10.1164 10.1327 10.5157 10.5351 11.7964 11.7969 11.7993 11.8580 12.3375 12.4440 12.9088 12.9665 15.2154 15.2202 17.2572 17.2699 18.2958 18.3178 k =-0.5000 0.3743 0.4496 ( 1726 PWs) bands (ev): -29.2883 -29.2883 -10.5035 -10.4963 -9.1786 -9.1653 -9.0269 -9.0236 -1.7242 -1.7202 4.9284 4.9287 6.0767 6.0782 7.6312 7.6390 8.1269 8.1320 10.1126 10.1312 10.5152 10.5374 11.7363 11.7825 11.7994 11.8070 12.3551 12.4527 12.9754 13.0299 15.2082 15.2138 17.2044 17.2173 18.3538 18.3745 k =-0.5000 0.3743 0.4378 ( 1722 PWs) bands (ev): -29.2888 -29.2888 -10.5024 -10.4942 -9.1762 -9.1611 -9.0286 -9.0247 -1.7212 -1.7167 4.9380 4.9384 6.0702 6.0722 7.6462 7.6550 8.1009 8.1069 10.1086 10.1294 10.5148 10.5397 11.6755 11.7244 11.7995 11.8005 12.3717 12.4604 13.0457 13.0965 15.2002 15.2065 17.1501 17.1630 18.3851 18.3874 k =-0.5000 0.3743 0.4259 ( 1728 PWs) bands (ev): -29.2894 -29.2894 -10.5010 -10.4920 -9.1734 -9.1565 -9.0303 -9.0259 -1.7179 -1.7129 4.9488 4.9492 6.0632 6.0657 7.6627 7.6723 8.0722 8.0791 10.1045 10.1273 10.5143 10.5417 11.6145 11.6610 11.7996 11.7997 12.3874 12.4678 13.1185 13.1654 15.1914 15.1984 17.0950 17.1077 18.3272 18.3302 k =-0.5000 0.3743 0.4141 ( 1728 PWs) bands (ev): -29.2900 -29.2900 -10.4995 -10.4896 -9.1703 -9.1516 -9.0322 -9.0271 -1.7143 -1.7088 4.9607 4.9611 6.0557 6.0588 7.6805 7.6909 8.0409 8.0488 10.1002 10.1250 10.5139 10.5436 11.5540 11.5980 11.7993 11.7998 12.4027 12.4752 13.1930 13.2362 15.1821 15.1897 17.0395 17.0521 18.2624 18.2671 k =-0.5000 0.3743 0.4023 ( 1720 PWs) bands (ev): -29.2907 -29.2907 -10.4979 -10.4872 -9.1668 -9.1463 -9.0340 -9.0284 -1.7103 -1.7043 4.9737 4.9741 6.0478 6.0515 7.6994 7.7105 8.0075 8.0164 10.0961 10.1227 10.5135 10.5454 11.4942 11.5358 11.7992 11.8000 12.4177 12.4831 13.2688 13.3084 15.1722 15.1804 16.9841 16.9964 18.1940 18.1999 k =-0.5000 0.3743 0.3904 ( 1724 PWs) bands (ev): -29.2915 -29.2915 -10.4961 -10.4847 -9.1631 -9.1410 -9.0358 -9.0295 -1.7060 -1.6996 4.9877 4.9882 6.0394 6.0439 7.7190 7.7307 7.9723 7.9822 10.0920 10.1201 10.5128 10.5468 11.4352 11.4746 11.7990 11.8001 12.4325 12.4912 13.3453 13.3814 15.1619 15.1707 16.9290 16.9409 18.1227 18.1297 k =-0.5000 0.3743 0.3786 ( 1724 PWs) bands (ev): -29.2923 -29.2923 -10.4942 -10.4821 -9.1591 -9.1354 -9.0375 -9.0306 -1.7014 -1.6947 5.0026 5.0031 6.0308 6.0360 7.7392 7.7512 7.9358 7.9466 10.0879 10.1176 10.5119 10.5478 11.3773 11.4147 11.7990 11.8002 12.4471 12.4999 13.4223 13.4552 15.1512 15.1605 16.8743 16.8859 18.0493 18.0573 k =-0.5000 0.3743 0.3668 ( 1724 PWs) bands (ev): -29.2931 -29.2931 -10.4922 -10.4795 -9.1551 -9.1299 -9.0390 -9.0315 -1.6966 -1.6895 5.0184 5.0190 6.0218 6.0279 7.7592 7.7712 7.8988 7.9103 10.0841 10.1151 10.5107 10.5483 11.3205 11.3562 11.7990 11.8004 12.4617 12.5090 13.4997 13.5295 15.1404 15.1502 16.8202 16.8314 17.9745 17.9835 k =-0.5000 0.3743 0.3549 ( 1720 PWs) bands (ev): -29.2940 -29.2940 -10.4901 -10.4768 -9.1509 -9.1244 -9.0401 -9.0321 -1.6916 -1.6841 5.0350 5.0356 6.0127 6.0196 7.7779 7.7881 7.8643 7.8747 10.0804 10.1128 10.5093 10.5485 11.2651 11.2992 11.7990 11.8006 12.4764 12.5187 13.5771 13.6040 15.1294 15.1396 16.7669 16.7777 17.8988 17.9088 k =-0.5000 0.3743 0.3431 ( 1720 PWs) bands (ev): -29.2949 -29.2949 -10.4879 -10.4742 -9.1469 -9.1193 -9.0407 -9.0323 -1.6863 -1.6786 5.0523 5.0530 6.0032 6.0112 7.7887 7.7889 7.8452 7.8462 10.0771 10.1106 10.5074 10.5481 11.2111 11.2437 11.7990 11.8007 12.4910 12.5286 13.6545 13.6786 15.1184 15.1290 16.7144 16.7248 17.8229 17.8339 k =-0.5000 0.3743 0.3313 ( 1718 PWs) bands (ev): -29.2959 -29.2959 -10.4857 -10.4716 -9.1430 -9.1148 -9.0404 -9.0320 -1.6809 -1.6729 5.0703 5.0711 5.9936 6.0025 7.7608 7.7737 7.8434 7.8541 10.0741 10.1087 10.5052 10.5472 11.1586 11.1898 11.7991 11.8009 12.5056 12.5390 13.7317 13.7532 15.1075 15.1184 16.6628 16.6729 17.7472 17.7593 k =-0.5000 0.3743 0.3194 ( 1718 PWs) bands (ev): -29.2969 -29.2968 -10.4835 -10.4690 -9.1394 -9.1110 -9.0392 -9.0311 -1.6754 -1.6672 5.0889 5.0897 5.9837 5.9936 7.7229 7.7399 7.8589 7.8727 10.0715 10.1070 10.5025 10.5457 11.1078 11.1376 11.7991 11.8011 12.5202 12.5496 13.8086 13.8275 15.0967 15.1079 16.6123 16.6219 17.6722 17.6854 k =-0.5000 0.3743 0.3076 ( 1718 PWs) bands (ev): -29.2978 -29.2978 -10.4813 -10.4666 -9.1362 -9.1083 -9.0368 -9.0294 -1.6698 -1.6614 5.1080 5.1088 5.9735 5.9845 7.6831 7.7021 7.8783 7.8930 10.0693 10.1057 10.4993 10.5436 11.0586 11.0872 11.7991 11.8012 12.5347 12.5605 13.8851 13.9016 15.0862 15.0977 16.5628 16.5721 17.5984 17.6127 k =-0.5000 0.3743 0.2958 ( 1710 PWs) bands (ev): -29.2989 -29.2989 -10.4790 -10.4641 -9.1336 -9.1066 -9.0331 -9.0270 -1.6641 -1.6555 5.1275 5.1283 5.9631 5.9752 7.6430 7.6636 7.8985 7.9136 10.0676 10.1048 10.4956 10.5409 11.0113 11.0386 11.7992 11.8014 12.5493 12.5717 13.9612 13.9754 15.0761 15.0877 16.5144 16.5233 17.5261 17.5417 k =-0.5000 0.3743 0.2839 ( 1710 PWs) bands (ev): -29.2999 -29.2999 -10.4768 -10.4618 -9.1315 -9.1060 -9.0282 -9.0236 -1.6583 -1.6497 5.1472 5.1482 5.9524 5.9655 7.6034 7.6254 7.9185 7.9338 10.0664 10.1044 10.4913 10.5375 10.9657 10.9918 11.7992 11.8015 12.5637 12.5830 14.0366 14.0486 15.0664 15.0781 16.4672 16.4757 17.4557 17.4725 k =-0.5000 0.3743 0.2721 ( 1714 PWs) bands (ev): -29.3009 -29.3009 -10.4747 -10.4596 -9.1302 -9.1064 -9.0221 -9.0195 -1.6526 -1.6439 5.1672 5.1682 5.9414 5.9554 7.5647 7.5881 7.9380 7.9535 10.0657 10.1044 10.4863 10.5333 10.9219 10.9469 11.7992 11.8016 12.5779 12.5943 14.1113 14.1212 15.0571 15.0689 16.4212 16.4293 17.3875 17.4055 k =-0.5000 0.3743 0.2603 ( 1718 PWs) bands (ev): -29.3020 -29.3020 -10.4725 -10.4576 -9.1294 -9.1076 -9.0152 -9.0144 -1.6469 -1.6381 5.1873 5.1884 5.9300 5.9450 7.5273 7.5519 7.9567 7.9723 10.0657 10.1050 10.4808 10.5285 10.8801 10.9039 11.7992 11.8017 12.5918 12.6056 14.1853 14.1932 15.0484 15.0602 16.3764 16.3842 17.3217 17.3410 k =-0.5000 0.3743 0.2485 ( 1718 PWs) bands (ev): -29.3030 -29.3030 -10.4704 -10.4556 -9.1293 -9.1093 -9.0086 -9.0076 -1.6412 -1.6325 5.2074 5.2086 5.9183 5.9341 7.4915 7.5171 7.9747 7.9902 10.0662 10.1062 10.4747 10.5229 10.8402 10.8629 11.7992 11.8018 12.6056 12.6170 14.2584 14.2643 15.0403 15.0521 16.3330 16.3404 17.2588 17.2794 k =-0.5000 0.3743 0.2366 ( 1712 PWs) bands (ev): -29.3040 -29.3040 -10.4684 -10.4538 -9.1296 -9.1115 -9.0021 -8.9995 -1.6355 -1.6269 5.2275 5.2287 5.9063 5.9227 7.4575 7.4841 7.9917 8.0071 10.0675 10.1081 10.4680 10.5167 10.8025 10.8240 11.7992 11.8018 12.6191 12.6283 14.3304 14.3347 15.0328 15.0445 16.2909 16.2979 17.1990 17.2210 k =-0.5000 0.3743 0.2248 ( 1712 PWs) bands (ev): -29.3050 -29.3050 -10.4665 -10.4521 -9.1304 -9.1140 -8.9950 -8.9911 -1.6300 -1.6215 5.2474 5.2486 5.8939 5.9108 7.4256 7.4529 8.0076 8.0229 10.0694 10.1105 10.4606 10.5097 10.7667 10.7870 11.7992 11.8018 12.6322 12.6394 14.4013 14.4039 15.0260 15.0376 16.2502 16.2569 17.1423 17.1658 k =-0.5000 0.3743 0.2130 ( 1704 PWs) bands (ev): -29.3060 -29.3060 -10.4646 -10.4505 -9.1315 -9.1167 -8.9875 -8.9825 -1.6246 -1.6162 5.2670 5.2683 5.8811 5.8985 7.3959 7.4238 8.0225 8.0375 10.0720 10.1136 10.4526 10.5021 10.7329 10.7521 11.7992 11.8019 12.6451 12.6505 14.4709 14.4721 15.0199 15.0313 16.2109 16.2173 17.0892 17.1142 k =-0.5000 0.3743 0.2011 ( 1706 PWs) bands (ev): -29.3070 -29.3070 -10.4628 -10.4491 -9.1329 -9.1195 -8.9797 -8.9738 -1.6193 -1.6112 5.2862 5.2876 5.8681 5.8857 7.3686 7.3968 8.0362 8.0509 10.0753 10.1173 10.4440 10.4936 10.7011 10.7191 11.7992 11.8019 12.6574 12.6612 14.5388 14.5390 15.0145 15.0257 16.1732 16.1791 17.0398 17.0663 k =-0.5000 0.3743 0.1893 ( 1704 PWs) bands (ev): -29.3080 -29.3080 -10.4611 -10.4479 -9.1345 -9.1224 -8.9717 -8.9651 -1.6142 -1.6063 5.3049 5.3064 5.8548 5.8725 7.3437 7.3720 8.0488 8.0631 10.0792 10.1217 10.4347 10.4845 10.6714 10.6882 11.7992 11.8018 12.6693 12.6717 14.6041 14.6054 15.0098 15.0208 16.1369 16.1425 16.9945 17.0225 k =-0.5000 0.3743 0.1775 ( 1698 PWs) bands (ev): -29.3089 -29.3089 -10.4594 -10.4468 -9.1362 -9.1252 -8.9637 -8.9566 -1.6093 -1.6017 5.3231 5.3246 5.8414 5.8589 7.3213 7.3495 8.0602 8.0741 10.0840 10.1268 10.4250 10.4748 10.6437 10.6593 11.7992 11.8018 12.6807 12.6819 14.6675 14.6699 15.0058 15.0166 16.1023 16.1076 16.9533 16.9829 k =-0.5000 0.3743 0.1656 ( 1694 PWs) bands (ev): -29.3097 -29.3097 -10.4578 -10.4458 -9.1380 -9.1281 -8.9556 -8.9483 -1.6046 -1.5973 5.3406 5.3422 5.8279 5.8451 7.3014 7.3291 8.0705 8.0839 10.0894 10.1326 10.4147 10.4645 10.6180 10.6324 11.7992 11.8017 12.6915 12.6916 14.7290 14.7322 15.0026 15.0131 16.0693 16.0743 16.9165 16.9476 k =-0.5000 0.3743 0.1538 ( 1694 PWs) bands (ev): -29.3106 -29.3106 -10.4564 -10.4449 -9.1398 -9.1309 -8.9477 -8.9403 -1.6001 -1.5932 5.3573 5.3590 5.8145 5.8312 7.2839 7.3110 8.0796 8.0925 10.0955 10.1390 10.4040 10.4536 10.5943 10.6074 11.7992 11.8016 12.7009 12.7016 14.7881 14.7920 15.0000 15.0103 16.0381 16.0427 16.8843 16.9169 k =-0.5000 0.3743 0.1420 ( 1694 PWs) bands (ev): -29.3114 -29.3114 -10.4550 -10.4442 -9.1416 -9.1335 -8.9399 -8.9326 -1.5959 -1.5893 5.3732 5.3749 5.8013 5.8173 7.2688 7.2949 8.0877 8.0999 10.1023 10.1461 10.3927 10.4421 10.5726 10.5844 11.7991 11.8015 12.7097 12.7111 14.8444 14.8490 14.9981 15.0082 16.0087 16.0129 16.8569 16.8909 k =-0.5000 0.3743 0.1301 ( 1698 PWs) bands (ev): -29.3121 -29.3121 -10.4537 -10.4437 -9.1433 -9.1361 -8.9325 -8.9253 -1.5920 -1.5858 5.3881 5.3899 5.7884 5.8036 7.2559 7.2809 8.0947 8.1062 10.1097 10.1538 10.3812 10.4303 10.5527 10.5633 11.7990 11.8013 12.7179 12.7198 14.8975 14.9028 14.9969 15.0071 15.9811 15.9851 16.8344 16.8696 k =-0.5000 0.3743 0.1183 ( 1698 PWs) bands (ev): -29.3128 -29.3128 -10.4524 -10.4432 -9.1450 -9.1385 -8.9254 -8.9185 -1.5883 -1.5825 5.4021 5.4039 5.7760 5.7902 7.2451 7.2686 8.1008 8.1115 10.1179 10.1621 10.3693 10.4180 10.5347 10.5442 11.7990 11.8011 12.7256 12.7279 14.9459 14.9525 14.9969 15.0078 15.9556 15.9592 16.8169 16.8532 k =-0.5000 0.3743 0.1065 ( 1702 PWs) bands (ev): -29.3134 -29.3134 -10.4513 -10.4429 -9.1465 -9.1408 -8.9187 -8.9122 -1.5849 -1.5796 5.4149 5.4167 5.7643 5.7773 7.2362 7.2581 8.1060 8.1159 10.1266 10.1709 10.3572 10.4055 10.5185 10.5268 11.7989 11.8008 12.7327 12.7352 14.9832 14.9886 15.0072 15.0165 15.9321 15.9353 16.8044 16.8413 k =-0.5000 0.3743 0.0946 ( 1706 PWs) bands (ev): -29.3140 -29.3140 -10.4502 -10.4427 -9.1479 -9.1429 -8.9125 -8.9065 -1.5817 -1.5770 5.4267 5.4284 5.7534 5.7652 7.2291 7.2491 8.1104 8.1194 10.1358 10.1802 10.3449 10.3927 10.5041 10.5113 11.7989 11.8006 12.7392 12.7418 14.9930 14.9952 15.0455 15.0467 15.9107 15.9137 16.7969 16.8340 k =-0.5000 0.3743 0.0828 ( 1704 PWs) bands (ev): -29.3145 -29.3145 -10.4492 -10.4425 -9.1491 -9.1449 -8.9068 -8.9014 -1.5789 -1.5747 5.4372 5.4389 5.7435 5.7539 7.2235 7.2415 8.1142 8.1222 10.1457 10.1898 10.3327 10.3799 10.4914 10.4976 11.7989 11.8005 12.7451 12.7477 14.9939 14.9974 15.0828 15.0833 15.8916 15.8942 16.7941 16.8306 k =-0.5000 0.3743 0.0710 ( 1702 PWs) bands (ev): -29.3150 -29.3150 -10.4483 -10.4425 -9.1502 -9.1466 -8.9017 -8.8970 -1.5764 -1.5728 5.4464 5.4480 5.7347 5.7436 7.2193 7.2350 8.1173 8.1243 10.1560 10.1997 10.3207 10.3669 10.4804 10.4856 11.7989 11.8003 12.7504 12.7528 14.9946 14.9982 15.1160 15.1169 15.8749 15.8771 16.7956 16.8307 k =-0.5000 0.3743 0.0592 ( 1704 PWs) bands (ev): -29.3154 -29.3154 -10.4474 -10.4426 -9.1511 -9.1481 -8.8972 -8.8932 -1.5742 -1.5712 5.4544 5.4558 5.7271 5.7346 7.2163 7.2296 8.1199 8.1258 10.1667 10.2094 10.3092 10.3540 10.4712 10.4755 11.7989 11.8001 12.7549 12.7570 14.9953 14.9986 15.1448 15.1457 15.8606 15.8625 16.8007 16.8333 k =-0.5000 0.3743 0.0473 ( 1700 PWs) bands (ev): -29.3157 -29.3157 -10.4466 -10.4427 -9.1518 -9.1494 -8.8935 -8.8902 -1.5723 -1.5699 5.4609 5.4622 5.7209 5.7269 7.2143 7.2252 8.1220 8.1269 10.1777 10.2185 10.2987 10.3411 10.4637 10.4671 11.7989 11.7999 12.7588 12.7606 14.9961 14.9988 15.1688 15.1695 15.8488 15.8503 16.8085 16.8374 k =-0.5000 0.3743 0.0355 ( 1708 PWs) bands (ev): -29.3160 -29.3160 -10.4459 -10.4430 -9.1523 -9.1505 -8.8904 -8.8879 -1.5708 -1.5690 5.4661 5.4671 5.7161 5.7206 7.2133 7.2215 8.1237 8.1274 10.1888 10.2257 10.2903 10.3284 10.4580 10.4605 11.7989 11.7996 12.7617 12.7631 14.9968 14.9989 15.1876 15.1882 15.8395 15.8407 16.8179 16.8415 k =-0.5000 0.3743 0.0237 ( 1704 PWs) bands (ev): -29.3161 -29.3161 -10.4452 -10.4433 -9.1525 -9.1513 -8.8881 -8.8864 -1.5697 -1.5684 5.4699 5.4706 5.7128 5.7158 7.2131 7.2186 8.1251 8.1275 10.2000 10.2291 10.2863 10.3162 10.4540 10.4557 11.7991 11.7996 12.7639 12.7649 14.9975 14.9989 15.2012 15.2016 15.8330 15.8338 16.8275 16.8443 k =-0.5000 0.3743 0.0118 ( 1708 PWs) bands (ev): -29.3162 -29.3162 -10.4447 -10.4437 -9.1526 -9.1520 -8.8865 -8.8857 -1.5688 -1.5682 5.4723 5.4726 5.7112 5.7127 7.2135 7.2163 8.1261 8.1274 10.2106 10.2269 10.2881 10.3048 10.4517 10.4525 11.7992 11.7995 12.7654 12.7659 14.9980 14.9987 15.2093 15.2095 15.8291 15.8295 16.8358 16.8446 k =-0.5000 0.3743 0.0000 ( 1706 PWs) bands (ev): -29.3163 -29.3163 -10.4441 -10.4441 -9.1524 -9.1524 -8.8857 -8.8857 -1.5683 -1.5683 5.4732 5.4732 5.7111 5.7111 7.2146 7.2146 8.1269 8.1269 10.2201 10.2201 10.2949 10.2949 10.4513 10.4513 11.7993 11.7993 12.7660 12.7660 14.9984 14.9984 15.2122 15.2122 15.8279 15.8279 16.8418 16.8418 k = 0.0000 0.0000 0.5324 ( 1690 PWs) bands (ev): -29.3126 -29.3126 -10.4772 -10.4772 -9.1795 -9.1795 -8.8077 -8.8077 -1.7231 -1.7231 5.1436 5.1436 6.5103 6.5103 7.2324 7.2324 7.7687 7.7687 10.2184 10.2184 10.6590 10.6590 11.1069 11.1069 12.2227 12.2227 12.9472 12.9472 13.3137 13.3137 14.1330 14.1330 15.1681 15.1681 17.1477 17.1477 k =-0.0094 0.0071 0.5324 ( 1694 PWs) bands (ev): -29.3126 -29.3126 -10.4772 -10.4772 -9.1795 -9.1795 -8.8079 -8.8079 -1.7232 -1.7232 5.1433 5.1433 6.5113 6.5113 7.2311 7.2311 7.7700 7.7700 10.2187 10.2187 10.6584 10.6584 11.1073 11.1073 12.2224 12.2224 12.9483 12.9483 13.3107 13.3107 14.1350 14.1350 15.1642 15.1642 17.1485 17.1485 k =-0.0189 0.0141 0.5324 ( 1692 PWs) bands (ev): -29.3125 -29.3125 -10.4772 -10.4772 -9.1796 -9.1796 -8.8086 -8.8086 -1.7235 -1.7235 5.1427 5.1427 6.5143 6.5143 7.2275 7.2275 7.7739 7.7739 10.2198 10.2198 10.6564 10.6564 11.1089 11.1089 12.2214 12.2214 12.9518 12.9518 13.3015 13.3015 14.1414 14.1414 15.1524 15.1524 17.1509 17.1509 k =-0.0283 0.0212 0.5324 ( 1694 PWs) bands (ev): -29.3124 -29.3124 -10.4772 -10.4772 -9.1796 -9.1796 -8.8096 -8.8096 -1.7240 -1.7240 5.1415 5.1415 6.5193 6.5193 7.2215 7.2215 7.7803 7.7803 10.2216 10.2216 10.6532 10.6532 11.1116 11.1116 12.2196 12.2196 12.9577 12.9577 13.2864 13.2864 14.1519 14.1519 15.1330 15.1330 17.1549 17.1549 k =-0.0377 0.0282 0.5324 ( 1694 PWs) bands (ev): -29.3122 -29.3122 -10.4772 -10.4772 -9.1797 -9.1797 -8.8110 -8.8110 -1.7247 -1.7247 5.1399 5.1399 6.5263 6.5263 7.2134 7.2134 7.7890 7.7890 10.2241 10.2241 10.6486 10.6486 11.1154 11.1154 12.2171 12.2171 12.9658 12.9658 13.2657 13.2657 14.1666 14.1666 15.1063 15.1063 17.1606 17.1606 k =-0.0472 0.0353 0.5324 ( 1698 PWs) bands (ev): -29.3120 -29.3120 -10.4773 -10.4773 -9.1798 -9.1798 -8.8129 -8.8129 -1.7256 -1.7256 5.1379 5.1379 6.5353 6.5353 7.2032 7.2032 7.7998 7.7998 10.2273 10.2273 10.6429 10.6429 11.1202 11.1202 12.2138 12.2138 12.9762 12.9762 13.2398 13.2398 14.1853 14.1853 15.0725 15.0725 17.1681 17.1681 k =-0.0566 0.0424 0.5324 ( 1702 PWs) bands (ev): -29.3118 -29.3118 -10.4773 -10.4773 -9.1800 -9.1800 -8.8151 -8.8151 -1.7266 -1.7266 5.1354 5.1354 6.5462 6.5462 7.1912 7.1912 7.8124 7.8124 10.2311 10.2311 10.6359 10.6360 11.1261 11.1261 12.2096 12.2096 12.9888 12.9888 13.2093 13.2093 14.2082 14.2082 15.0322 15.0322 17.1773 17.1773 k =-0.0660 0.0494 0.5324 ( 1706 PWs) bands (ev): -29.3115 -29.3115 -10.4774 -10.4774 -9.1802 -9.1802 -8.8177 -8.8177 -1.7279 -1.7279 5.1325 5.1325 6.5590 6.5590 7.1777 7.1777 7.8265 7.8265 10.2356 10.2356 10.6279 10.6279 11.1331 11.1331 12.2046 12.2046 13.0035 13.0035 13.1749 13.1749 14.2351 14.2351 14.9857 14.9857 17.1884 17.1884 k =-0.0755 0.0565 0.5324 ( 1706 PWs) bands (ev): -29.3112 -29.3112 -10.4774 -10.4774 -9.1803 -9.1803 -8.8207 -8.8207 -1.7292 -1.7292 5.1291 5.1291 6.5736 6.5736 7.1626 7.1626 7.8420 7.8420 10.2407 10.2407 10.6188 10.6188 11.1414 11.1414 12.1988 12.1988 13.0198 13.0198 13.1378 13.1378 14.2660 14.2660 14.9338 14.9338 17.2014 17.2014 k =-0.0849 0.0636 0.5324 ( 1702 PWs) bands (ev): -29.3108 -29.3108 -10.4775 -10.4775 -9.1805 -9.1805 -8.8240 -8.8240 -1.7307 -1.7307 5.1254 5.1254 6.5900 6.5900 7.1463 7.1463 7.8584 7.8585 10.2464 10.2464 10.6088 10.6088 11.1509 11.1509 12.1920 12.1920 13.0355 13.0355 13.1008 13.1008 14.3007 14.3007 14.8768 14.8768 17.2164 17.2164 k =-0.0943 0.0706 0.5324 ( 1706 PWs) bands (ev): -29.3104 -29.3104 -10.4776 -10.4776 -9.1807 -9.1807 -8.8277 -8.8277 -1.7323 -1.7323 5.1213 5.1213 6.6080 6.6080 7.1289 7.1289 7.8757 7.8757 10.2526 10.2526 10.5978 10.5978 11.1614 11.1614 12.1840 12.1840 13.0330 13.0330 13.0822 13.0822 14.3392 14.3392 14.8155 14.8155 17.2333 17.2333 k =-0.1038 0.0777 0.5324 ( 1706 PWs) bands (ev): -29.3099 -29.3099 -10.4777 -10.4777 -9.1809 -9.1809 -8.8317 -8.8317 -1.7340 -1.7340 5.1168 5.1168 6.6277 6.6277 7.1104 7.1104 7.8936 7.8936 10.2593 10.2593 10.5860 10.5860 11.1731 11.1731 12.1749 12.1749 12.9973 12.9973 13.0977 13.0977 14.3813 14.3813 14.7503 14.7503 17.2522 17.2522 k =-0.1132 0.0847 0.5324 ( 1706 PWs) bands (ev): -29.3095 -29.3095 -10.4778 -10.4778 -9.1812 -9.1812 -8.8360 -8.8360 -1.7357 -1.7357 5.1120 5.1120 6.6490 6.6490 7.0909 7.0909 7.9119 7.9119 10.2665 10.2665 10.5735 10.5735 11.1861 11.1861 12.1645 12.1645 12.9536 12.9536 13.1228 13.1228 14.4268 14.4268 14.6819 14.6819 17.2731 17.2731 k =-0.1226 0.0918 0.5324 ( 1706 PWs) bands (ev): -29.3089 -29.3089 -10.4780 -10.4780 -9.1814 -9.1814 -8.8406 -8.8406 -1.7375 -1.7375 5.1069 5.1069 6.6717 6.6717 7.0706 7.0706 7.9304 7.9304 10.2740 10.2740 10.5603 10.5603 11.2003 11.2003 12.1528 12.1528 12.9083 12.9083 13.1517 13.1517 14.4755 14.4755 14.6111 14.6111 17.2959 17.2959 k =-0.1321 0.0989 0.5324 ( 1710 PWs) bands (ev): -29.3084 -29.3084 -10.4782 -10.4782 -9.1816 -9.1816 -8.8455 -8.8455 -1.7393 -1.7393 5.1014 5.1014 6.6957 6.6957 7.0494 7.0494 7.9489 7.9489 10.2819 10.2819 10.5466 10.5466 11.2155 11.2155 12.1397 12.1397 12.8632 12.8632 13.1835 13.1835 14.5207 14.5207 14.5448 14.5448 17.3205 17.3205 k =-0.1415 0.1059 0.5324 ( 1712 PWs) bands (ev): -29.3078 -29.3078 -10.4785 -10.4785 -9.1818 -9.1818 -8.8506 -8.8506 -1.7411 -1.7411 5.0956 5.0956 6.7210 6.7210 7.0274 7.0274 7.9672 7.9672 10.2902 10.2902 10.5323 10.5323 11.2321 11.2321 12.1251 12.1251 12.8189 12.8189 13.2178 13.2178 14.4601 14.4601 14.5857 14.5857 17.3471 17.3471 k =-0.1509 0.1130 0.5324 ( 1708 PWs) bands (ev): -29.3072 -29.3072 -10.4788 -10.4788 -9.1820 -9.1820 -8.8559 -8.8559 -1.7429 -1.7429 5.0896 5.0896 6.7474 6.7474 7.0047 7.0047 7.9854 7.9854 10.2987 10.2987 10.5178 10.5178 11.2500 11.2500 12.1091 12.1091 12.7762 12.7762 13.2547 13.2547 14.3840 14.3840 14.6440 14.6440 17.3754 17.3754 k =-0.1604 0.1201 0.5324 ( 1704 PWs) bands (ev): -29.3065 -29.3065 -10.4791 -10.4791 -9.1822 -9.1822 -8.8615 -8.8615 -1.7447 -1.7447 5.0834 5.0834 6.7747 6.7747 6.9814 6.9814 8.0031 8.0031 10.3074 10.3074 10.5029 10.5029 11.2692 11.2692 12.0916 12.0916 12.7355 12.7355 13.2941 13.2941 14.3065 14.3065 14.7056 14.7056 17.4055 17.4055 k =-0.1698 0.1271 0.5324 ( 1708 PWs) bands (ev): -29.3059 -29.3059 -10.4795 -10.4795 -9.1824 -9.1824 -8.8673 -8.8673 -1.7464 -1.7464 5.0769 5.0769 6.8026 6.8026 6.9575 6.9575 8.0203 8.0203 10.3162 10.3162 10.4878 10.4878 11.2894 11.2894 12.0726 12.0726 12.6971 12.6971 13.3358 13.3358 14.2284 14.2284 14.7700 14.7700 17.4373 17.4373 k =-0.1792 0.1342 0.5324 ( 1700 PWs) bands (ev): -29.3052 -29.3052 -10.4799 -10.4799 -9.1825 -9.1825 -8.8732 -8.8732 -1.7479 -1.7479 5.0702 5.0702 6.8306 6.8306 6.9338 6.9338 8.0370 8.0370 10.3250 10.3250 10.4726 10.4726 11.3111 11.3111 12.0525 12.0525 12.6615 12.6615 13.3799 13.3799 14.1501 14.1501 14.8372 14.8372 17.4706 17.4706 k =-0.1887 0.1412 0.5324 ( 1700 PWs) bands (ev): -29.3045 -29.3045 -10.4804 -10.4804 -9.1827 -9.1827 -8.8793 -8.8793 -1.7494 -1.7494 5.0634 5.0634 6.8559 6.8559 6.9126 6.9126 8.0529 8.0529 10.3339 10.3339 10.4574 10.4574 11.3340 11.3340 12.0313 12.0313 12.6285 12.6285 13.4263 13.4263 14.0719 14.0719 14.9070 14.9070 17.5055 17.5055 k =-0.1981 0.1483 0.5324 ( 1702 PWs) bands (ev): -29.3038 -29.3038 -10.4809 -10.4809 -9.1828 -9.1828 -8.8854 -8.8854 -1.7508 -1.7508 5.0564 5.0564 6.8626 6.8626 6.9099 6.9099 8.0681 8.0681 10.3425 10.3425 10.4423 10.4423 11.3581 11.3581 12.0094 12.0094 12.5983 12.5983 13.4749 13.4749 13.9941 13.9941 14.9792 14.9792 17.5417 17.5417 k =-0.2075 0.1554 0.5324 ( 1698 PWs) bands (ev): -29.3030 -29.3030 -10.4815 -10.4815 -9.1829 -9.1829 -8.8917 -8.8917 -1.7521 -1.7521 5.0493 5.0493 6.8430 6.8430 6.9333 6.9333 8.0825 8.0825 10.3507 10.3507 10.4277 10.4277 11.3834 11.3834 11.9870 11.9870 12.5708 12.5708 13.5258 13.5258 13.9170 13.9170 15.0538 15.0538 17.5793 17.5793 k =-0.2170 0.1624 0.5324 ( 1694 PWs) bands (ev): -29.3023 -29.3023 -10.4822 -10.4822 -9.1830 -9.1830 -8.8980 -8.8980 -1.7531 -1.7531 5.0420 5.0420 6.8167 6.8167 6.9629 6.9629 8.0960 8.0960 10.3579 10.3579 10.4141 10.4141 11.4100 11.4100 11.9647 11.9647 12.5459 12.5459 13.5788 13.5788 13.8409 13.8409 15.1305 15.1305 17.6181 17.6181 k =-0.2264 0.1695 0.5324 ( 1694 PWs) bands (ev): -29.3015 -29.3015 -10.4829 -10.4829 -9.1831 -9.1831 -8.9044 -8.9044 -1.7541 -1.7541 5.0348 5.0348 6.7885 6.7885 6.9940 6.9940 8.1087 8.1087 10.3626 10.3626 10.4031 10.4031 11.4377 11.4377 11.9426 11.9426 12.5232 12.5232 13.6339 13.6339 13.7660 13.7660 15.2093 15.2093 17.6581 17.6581 k =-0.2358 0.1766 0.5324 ( 1692 PWs) bands (ev): -29.3007 -29.3007 -10.4836 -10.4836 -9.1831 -9.1831 -8.9108 -8.9108 -1.7548 -1.7548 5.0275 5.0275 6.7591 6.7591 7.0257 7.0257 8.1204 8.1204 10.3614 10.3614 10.3980 10.3980 11.4664 11.4664 11.9213 11.9213 12.5028 12.5028 13.6888 13.6888 13.6948 13.6948 15.2900 15.2900 17.6991 17.6991 k =-0.2453 0.1836 0.5324 ( 1696 PWs) bands (ev): -29.3000 -29.3000 -10.4844 -10.4844 -9.1832 -9.1832 -8.9172 -8.9172 -1.7554 -1.7554 5.0201 5.0201 6.7289 6.7289 7.0575 7.0575 8.1312 8.1312 10.3530 10.3530 10.4001 10.4001 11.4961 11.4961 11.9009 11.9009 12.4842 12.4842 13.6204 13.6204 13.7503 13.7503 15.3725 15.3725 17.7410 17.7410 k =-0.2547 0.1907 0.5324 ( 1700 PWs) bands (ev): -29.2992 -29.2992 -10.4853 -10.4853 -9.1832 -9.1832 -8.9236 -8.9236 -1.7557 -1.7557 5.0128 5.0128 6.6981 6.6981 7.0893 7.0893 8.1411 8.1411 10.3410 10.3410 10.4060 10.4060 11.5266 11.5266 11.8818 11.8818 12.4672 12.4672 13.5502 13.5502 13.8111 13.8111 15.4567 15.4567 17.7837 17.7837 k =-0.2642 0.1977 0.5324 ( 1692 PWs) bands (ev): -29.2984 -29.2984 -10.4861 -10.4861 -9.1832 -9.1832 -8.9299 -8.9299 -1.7559 -1.7559 5.0055 5.0055 6.6667 6.6667 7.1210 7.1210 8.1502 8.1502 10.3278 10.3278 10.4132 10.4132 11.5581 11.5581 11.8644 11.8644 12.4518 12.4518 13.4821 13.4821 13.8737 13.8737 15.5425 15.5425 17.8271 17.8271 k =-0.2736 0.2048 0.5324 ( 1700 PWs) bands (ev): -29.2977 -29.2977 -10.4871 -10.4871 -9.1832 -9.1832 -8.9362 -8.9362 -1.7559 -1.7559 4.9983 4.9983 6.6348 6.6348 7.1523 7.1523 8.1584 8.1584 10.3143 10.3143 10.4207 10.4207 11.5901 11.5901 11.8485 11.8485 12.4376 12.4376 13.4160 13.4160 13.9379 13.9379 15.6297 15.6297 17.8711 17.8711 k =-0.2830 0.2119 0.5324 ( 1700 PWs) bands (ev): -29.2969 -29.2969 -10.4880 -10.4880 -9.1831 -9.1831 -8.9423 -8.9423 -1.7557 -1.7557 4.9911 4.9911 6.6026 6.6026 7.1832 7.1832 8.1658 8.1658 10.3009 10.3009 10.4283 10.4283 11.6224 11.6224 11.8348 11.8348 12.4245 12.4245 13.3523 13.3523 14.0036 14.0036 15.7181 15.7181 17.9155 17.9155 k =-0.2925 0.2189 0.5324 ( 1700 PWs) bands (ev): -29.2962 -29.2962 -10.4890 -10.4890 -9.1831 -9.1831 -8.9483 -8.9483 -1.7553 -1.7553 4.9841 4.9841 6.5702 6.5702 7.2135 7.2135 8.1724 8.1724 10.2877 10.2877 10.4359 10.4359 11.6548 11.6548 11.8232 11.8232 12.4124 12.4124 13.2909 13.2909 14.0705 14.0705 15.8078 15.8078 17.9602 17.9602 k =-0.3019 0.2260 0.5324 ( 1696 PWs) bands (ev): -29.2954 -29.2954 -10.4900 -10.4900 -9.1830 -9.1830 -8.9542 -8.9542 -1.7547 -1.7547 4.9773 4.9773 6.5378 6.5378 7.2431 7.2431 8.1784 8.1784 10.2749 10.2749 10.4432 10.4432 11.6868 11.6868 11.8142 11.8142 12.4012 12.4012 13.2323 13.2323 14.1386 14.1386 15.8984 15.8984 18.0051 18.0051 k =-0.3113 0.2331 0.5324 ( 1692 PWs) bands (ev): -29.2947 -29.2947 -10.4911 -10.4911 -9.1830 -9.1830 -8.9599 -8.9599 -1.7539 -1.7539 4.9705 4.9705 6.5054 6.5054 7.2720 7.2720 8.1836 8.1836 10.2625 10.2625 10.4503 10.4503 11.7173 11.7173 11.8087 11.8087 12.3908 12.3908 13.1763 13.1763 14.2076 14.2076 15.9898 15.9898 18.0500 18.0500 k =-0.3208 0.2401 0.5324 ( 1692 PWs) bands (ev): -29.2940 -29.2940 -10.4921 -10.4921 -9.1829 -9.1829 -8.9655 -8.9655 -1.7530 -1.7530 4.9640 4.9640 6.4731 6.4731 7.3000 7.3000 8.1883 8.1883 10.2505 10.2505 10.4572 10.4572 11.7436 11.7436 11.8089 11.8089 12.3809 12.3809 13.1232 13.1232 14.2773 14.2773 16.0819 16.0819 18.0947 18.0947 k =-0.3302 0.2472 0.5324 ( 1692 PWs) bands (ev): -29.2933 -29.2933 -10.4932 -10.4932 -9.1829 -9.1829 -8.9708 -8.9708 -1.7520 -1.7520 4.9576 4.9576 6.4412 6.4412 7.3270 7.3270 8.1924 8.1924 10.2390 10.2390 10.4638 10.4638 11.7603 11.7603 11.8198 11.8198 12.3717 12.3717 13.0731 13.0731 14.3475 14.3475 16.1744 16.1744 18.1391 18.1391 k =-0.3396 0.2542 0.5324 ( 1702 PWs) bands (ev): -29.2926 -29.2926 -10.4943 -10.4943 -9.1829 -9.1829 -8.9759 -8.9759 -1.7509 -1.7509 4.9515 4.9515 6.4098 6.4098 7.3529 7.3529 8.1960 8.1960 10.2279 10.2279 10.4699 10.4699 11.7667 11.7667 11.8420 11.8420 12.3630 12.3630 13.0261 13.0261 14.4179 14.4179 16.2673 16.2673 18.1830 18.1830 k =-0.3491 0.2613 0.5324 ( 1706 PWs) bands (ev): -29.2920 -29.2920 -10.4953 -10.4953 -9.1828 -9.1828 -8.9808 -8.9808 -1.7496 -1.7496 4.9456 4.9456 6.3791 6.3791 7.3777 7.3777 8.1992 8.1992 10.2173 10.2173 10.4757 10.4757 11.7684 11.7684 11.8693 11.8693 12.3548 12.3548 12.9825 12.9825 14.4883 14.4883 16.3602 16.3602 18.2262 18.2262 k =-0.3585 0.2684 0.5324 ( 1714 PWs) bands (ev): -29.2914 -29.2914 -10.4964 -10.4964 -9.1828 -9.1828 -8.9855 -8.9855 -1.7483 -1.7483 4.9399 4.9399 6.3492 6.3492 7.4014 7.4014 8.2020 8.2020 10.2071 10.2072 10.4813 10.4813 11.7691 11.7691 11.8977 11.8977 12.3471 12.3471 12.9422 12.9422 14.5583 14.5583 16.4531 16.4531 18.2685 18.2685 k =-0.3679 0.2754 0.5324 ( 1714 PWs) bands (ev): -29.2908 -29.2908 -10.4974 -10.4974 -9.1828 -9.1828 -8.9899 -8.9899 -1.7469 -1.7469 4.9346 4.9346 6.3203 6.3203 7.4237 7.4237 8.2044 8.2044 10.1978 10.1978 10.4866 10.4866 11.7700 11.7700 11.9257 11.9257 12.3399 12.3399 12.9054 12.9054 14.6276 14.6276 16.5455 16.5455 18.3097 18.3097 k =-0.3774 0.2825 0.5324 ( 1714 PWs) bands (ev): -29.2902 -29.2902 -10.4984 -10.4984 -9.1828 -9.1828 -8.9940 -8.9940 -1.7454 -1.7454 4.9296 4.9296 6.2926 6.2926 7.4448 7.4448 8.2065 8.2065 10.1890 10.1890 10.4915 10.4915 11.7713 11.7713 11.9523 11.9523 12.3332 12.3332 12.8723 12.8723 14.6957 14.6957 16.6373 16.6373 18.3495 18.3495 k =-0.3868 0.2895 0.5324 ( 1720 PWs) bands (ev): -29.2897 -29.2897 -10.4993 -10.4993 -9.1828 -9.1828 -8.9979 -8.9979 -1.7440 -1.7440 4.9248 4.9248 6.2662 6.2662 7.4644 7.4644 8.2083 8.2083 10.1807 10.1807 10.4959 10.4959 11.7731 11.7731 11.9771 11.9771 12.3270 12.3270 12.8427 12.8427 14.7623 14.7623 16.7280 16.7280 18.3875 18.3875 k =-0.3962 0.2966 0.5324 ( 1724 PWs) bands (ev): -29.2892 -29.2892 -10.5003 -10.5003 -9.1828 -9.1828 -9.0014 -9.0014 -1.7425 -1.7425 4.9204 4.9204 6.2413 6.2413 7.4827 7.4827 8.2099 8.2099 10.1732 10.1732 10.5001 10.5001 11.7752 11.7752 11.9999 11.9999 12.3213 12.3213 12.8168 12.8168 14.8269 14.8269 16.8174 16.8174 18.4227 18.4227 k =-0.4057 0.3037 0.5324 ( 1728 PWs) bands (ev): -29.2888 -29.2888 -10.5011 -10.5011 -9.1828 -9.1828 -9.0047 -9.0047 -1.7411 -1.7411 4.9163 4.9163 6.2180 6.2180 7.4995 7.4995 8.2113 8.2113 10.1662 10.1662 10.5039 10.5039 11.7777 11.7777 12.0203 12.0203 12.3160 12.3160 12.7946 12.7946 14.8890 14.8890 16.9048 16.9048 18.4223 18.4223 k =-0.4151 0.3107 0.5324 ( 1732 PWs) bands (ev): -29.2884 -29.2884 -10.5019 -10.5019 -9.1829 -9.1829 -9.0077 -9.0077 -1.7398 -1.7398 4.9126 4.9126 6.1964 6.1964 7.5147 7.5147 8.2125 8.2125 10.1598 10.1598 10.5073 10.5073 11.7806 11.7806 12.0381 12.0381 12.3113 12.3113 12.7759 12.7759 14.9479 14.9479 16.9897 16.9897 18.3689 18.3689 k =-0.4245 0.3178 0.5324 ( 1728 PWs) bands (ev): -29.2880 -29.2880 -10.5026 -10.5026 -9.1829 -9.1829 -9.0103 -9.0103 -1.7385 -1.7385 4.9092 4.9092 6.1768 6.1768 7.5285 7.5285 8.2135 8.2135 10.1541 10.1541 10.5105 10.5105 11.7835 11.7835 12.0535 12.0535 12.3071 12.3071 12.7605 12.7605 15.0032 15.0032 17.0715 17.0715 18.3165 18.3165 k =-0.4340 0.3249 0.5324 ( 1728 PWs) bands (ev): -29.2877 -29.2877 -10.5033 -10.5033 -9.1829 -9.1829 -9.0127 -9.0127 -1.7373 -1.7373 4.9062 4.9062 6.1592 6.1592 7.5407 7.5407 8.2144 8.2144 10.1491 10.1491 10.5132 10.5132 11.7865 11.7865 12.0663 12.0663 12.3033 12.3033 12.7483 12.7483 15.0542 15.0542 17.1493 17.1493 18.2679 18.2679 k =-0.4434 0.3319 0.5324 ( 1728 PWs) bands (ev): -29.2874 -29.2874 -10.5038 -10.5038 -9.1830 -9.1830 -9.0147 -9.0147 -1.7362 -1.7362 4.9036 4.9036 6.1436 6.1436 7.5513 7.5513 8.2151 8.2151 10.1447 10.1447 10.5156 10.5156 11.7893 11.7893 12.0767 12.0767 12.3001 12.3001 12.7388 12.7388 15.1001 15.1001 17.2220 17.2220 18.2239 18.2239 k =-0.4528 0.3390 0.5324 ( 1728 PWs) bands (ev): -29.2871 -29.2871 -10.5043 -10.5043 -9.1830 -9.1830 -9.0164 -9.0164 -1.7352 -1.7352 4.9014 4.9014 6.1304 6.1304 7.5603 7.5603 8.2157 8.2157 10.1410 10.1410 10.5176 10.5176 11.7918 11.7918 12.0849 12.0849 12.2973 12.2973 12.7316 12.7316 15.1405 15.1405 17.2882 17.2882 18.1852 18.1852 k =-0.4623 0.3460 0.5324 ( 1728 PWs) bands (ev): -29.2869 -29.2869 -10.5048 -10.5048 -9.1830 -9.1830 -9.0178 -9.0178 -1.7344 -1.7344 4.8996 4.8996 6.1194 6.1194 7.5677 7.5677 8.2162 8.2162 10.1380 10.1380 10.5193 10.5193 11.7940 11.7940 12.0911 12.0911 12.2951 12.2951 12.7265 12.7265 15.1746 15.1746 17.3463 17.3463 18.1525 18.1525 k =-0.4717 0.3531 0.5324 ( 1728 PWs) bands (ev): -29.2867 -29.2867 -10.5051 -10.5051 -9.1831 -9.1831 -9.0189 -9.0189 -1.7338 -1.7338 4.8981 4.8981 6.1107 6.1107 7.5734 7.5734 8.2165 8.2165 10.1356 10.1356 10.5206 10.5206 11.7959 11.7959 12.0957 12.0957 12.2933 12.2933 12.7230 12.7230 15.2018 15.2018 17.3946 17.3946 18.1263 18.1263 k =-0.4811 0.3602 0.5324 ( 1724 PWs) bands (ev): -29.2866 -29.2866 -10.5053 -10.5053 -9.1831 -9.1831 -9.0197 -9.0197 -1.7333 -1.7333 4.8971 4.8971 6.1046 6.1046 7.5776 7.5776 8.2168 8.2168 10.1339 10.1339 10.5215 10.5215 11.7973 11.7973 12.0987 12.0987 12.2921 12.2921 12.7207 12.7207 15.2216 15.2216 17.4311 17.4311 18.1072 18.1072 k =-0.4906 0.3672 0.5324 ( 1720 PWs) bands (ev): -29.2866 -29.2866 -10.5054 -10.5054 -9.1831 -9.1831 -9.0202 -9.0202 -1.7331 -1.7331 4.8965 4.8965 6.1008 6.1008 7.5801 7.5801 8.2169 8.2169 10.1331 10.1331 10.5220 10.5220 11.7981 11.7981 12.1005 12.1005 12.2914 12.2914 12.7195 12.7195 15.2337 15.2337 17.4538 17.4538 18.0956 18.0956 k =-0.5000 0.3743 0.5324 ( 1720 PWs) bands (ev): -29.2865 -29.2865 -10.5055 -10.5055 -9.1831 -9.1831 -9.0203 -9.0203 -1.7330 -1.7330 4.8963 4.8963 6.0996 6.0996 7.5809 7.5809 8.2170 8.2170 10.1327 10.1327 10.5222 10.5222 11.7984 11.7984 12.1011 12.1011 12.2911 12.2911 12.7191 12.7191 15.2377 15.2377 17.4616 17.4616 18.0917 18.0917 Writing output data file YCoC2.save init_run : 2.54s CPU 13.33s WALL ( 1 calls) electrons : 367.58s CPU 378.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.14s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 367.56s CPU 378.62s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.82s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.38s WALL ( 1 calls) newd : 0.32s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 506 calls) cegterg : 321.66s CPU 328.42s WALL ( 546 calls) Called by sum_band: Called by *egterg: h_psi : 176.01s CPU 184.95s WALL ( 10381 calls) s_psi : 13.39s CPU 14.23s WALL ( 10381 calls) g_psi : 0.20s CPU 0.30s WALL ( 9329 calls) cdiaghg : 101.63s CPU 101.99s WALL ( 9835 calls) cegterg:over : 34.00s CPU 31.15s WALL ( 9329 calls) cegterg:upda : 1.59s CPU 3.65s WALL ( 9329 calls) cegterg:last : 2.06s CPU 2.83s WALL ( 2096 calls) Called by h_psi: h_psi:vloc : 147.84s CPU 155.52s WALL ( 10381 calls) h_psi:vnl : 28.09s CPU 29.16s WALL ( 10381 calls) add_vuspsi : 6.46s CPU 10.21s WALL ( 10381 calls) General routines calbec : 21.60s CPU 18.88s WALL ( 10381 calls) fft : 0.26s CPU 1.15s WALL ( 19 calls) ffts : 0.00s CPU 0.06s WALL ( 4 calls) fftw : 144.47s CPU 150.49s WALL ( 1029080 calls) interpolate : 0.01s CPU 0.06s WALL ( 4 calls) davcio : 0.05s CPU 1.32s WALL ( 1012 calls) Parallel routines fft_scatter : 130.11s CPU 133.17s WALL ( 1029103 calls) PWSCF : 6m52.56s CPU 8m19.72s WALL This run was terminated on: 23: 9:46 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=