Program PWSCF v.5.1.1 starts on 8Oct2015 at 0:10:48 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: ./ScCuS2.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 28 14 4 1402 501 80 Max 29 15 5 1413 515 89 Sum 1381 691 211 67621 24347 3995 bravais-lattice index = 14 lattice parameter (alat) = 7.0549 a.u. unit-cell volume = 496.7071 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.054914 celldm(2)= 1.000000 celldm(3)= 1.633407 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.633407 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.612217 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Sc read from file: /home/autes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 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. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad 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 1199 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 S 6.00 32.06500 S( 1.00) Sc 11.00 44.95590 Sc( 1.00) Cu 11.00 63.54600 Cu( 1.00) 6 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 357 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0102041 0.0058913 -0.0000000), wk = 0.0028011 k( 3) = ( 0.0204082 0.0117827 -0.0000000), wk = 0.0028011 k( 4) = ( 0.0306122 0.0176740 -0.0000000), wk = 0.0028011 k( 5) = ( 0.0408163 0.0235653 -0.0000000), wk = 0.0028011 k( 6) = ( 0.0510204 0.0294566 -0.0000000), wk = 0.0028011 k( 7) = ( 0.0612245 0.0353480 -0.0000000), wk = 0.0028011 k( 8) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0028011 k( 9) = ( 0.0816327 0.0471306 -0.0000000), wk = 0.0028011 k( 10) = ( 0.0918367 0.0530220 -0.0000000), wk = 0.0028011 k( 11) = ( 0.1020408 0.0589133 -0.0000000), wk = 0.0028011 k( 12) = ( 0.1122449 0.0648046 -0.0000000), wk = 0.0028011 k( 13) = ( 0.1224490 0.0706960 -0.0000000), wk = 0.0028011 k( 14) = ( 0.1326531 0.0765873 -0.0000000), wk = 0.0028011 k( 15) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0028011 k( 16) = ( 0.1530612 0.0883699 -0.0000000), wk = 0.0028011 k( 17) = ( 0.1632653 0.0942613 -0.0000000), wk = 0.0028011 k( 18) = ( 0.1734694 0.1001526 -0.0000000), wk = 0.0028011 k( 19) = ( 0.1836735 0.1060439 -0.0000000), wk = 0.0028011 k( 20) = ( 0.1938776 0.1119353 -0.0000000), wk = 0.0028011 k( 21) = ( 0.2040816 0.1178266 -0.0000000), wk = 0.0028011 k( 22) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0028011 k( 23) = ( 0.2244898 0.1296092 -0.0000000), wk = 0.0028011 k( 24) = ( 0.2346939 0.1355006 -0.0000000), wk = 0.0028011 k( 25) = ( 0.2448980 0.1413919 -0.0000000), wk = 0.0028011 k( 26) = ( 0.2551020 0.1472832 -0.0000000), wk = 0.0028011 k( 27) = ( 0.2653061 0.1531746 -0.0000000), wk = 0.0028011 k( 28) = ( 0.2755102 0.1590659 -0.0000000), wk = 0.0028011 k( 29) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0028011 k( 30) = ( 0.2959184 0.1708486 -0.0000000), wk = 0.0028011 k( 31) = ( 0.3061224 0.1767399 -0.0000000), wk = 0.0028011 k( 32) = ( 0.3163265 0.1826312 -0.0000000), wk = 0.0028011 k( 33) = ( 0.3265306 0.1885225 -0.0000000), wk = 0.0028011 k( 34) = ( 0.3367347 0.1944139 -0.0000000), wk = 0.0028011 k( 35) = ( 0.3469388 0.2003052 -0.0000000), wk = 0.0028011 k( 36) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0028011 k( 37) = ( 0.3673469 0.2120879 -0.0000000), wk = 0.0028011 k( 38) = ( 0.3775510 0.2179792 -0.0000000), wk = 0.0028011 k( 39) = ( 0.3877551 0.2238705 -0.0000000), wk = 0.0028011 k( 40) = ( 0.3979592 0.2297618 -0.0000000), wk = 0.0028011 k( 41) = ( 0.4081633 0.2356532 -0.0000000), wk = 0.0028011 k( 42) = ( 0.4183674 0.2415445 -0.0000000), wk = 0.0028011 k( 43) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0028011 k( 44) = ( 0.4387755 0.2533272 -0.0000000), wk = 0.0028011 k( 45) = ( 0.4489796 0.2592185 -0.0000000), wk = 0.0028011 k( 46) = ( 0.4591837 0.2651098 -0.0000000), wk = 0.0028011 k( 47) = ( 0.4693878 0.2710011 -0.0000000), wk = 0.0028011 k( 48) = ( 0.4795918 0.2768925 -0.0000000), wk = 0.0028011 k( 49) = ( 0.4897959 0.2827838 -0.0000000), wk = 0.0028011 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028011 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028011 k( 52) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0028011 k( 53) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0028011 k( 54) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0028011 k( 55) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0028011 k( 56) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0028011 k( 57) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0028011 k( 58) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0028011 k( 59) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0028011 k( 60) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0028011 k( 61) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0028011 k( 62) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0028011 k( 63) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0028011 k( 64) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0028011 k( 65) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0028011 k( 66) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0028011 k( 67) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0028011 k( 68) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0028011 k( 69) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0028011 k( 70) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0028011 k( 71) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0028011 k( 72) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0028011 k( 73) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0028011 k( 74) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0028011 k( 75) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0028011 k( 76) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0028011 k( 77) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0028011 k( 78) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0028011 k( 79) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0028011 k( 80) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028011 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028011 k( 82) = ( 0.3274854 0.5672213 -0.0000000), wk = 0.0028011 k( 83) = ( 0.3216374 0.5570924 -0.0000000), wk = 0.0028011 k( 84) = ( 0.3157895 0.5469634 -0.0000000), wk = 0.0028011 k( 85) = ( 0.3099415 0.5368345 -0.0000000), wk = 0.0028011 k( 86) = ( 0.3040936 0.5267055 -0.0000000), wk = 0.0028011 k( 87) = ( 0.2982456 0.5165765 -0.0000000), wk = 0.0028011 k( 88) = ( 0.2923977 0.5064476 -0.0000000), wk = 0.0028011 k( 89) = ( 0.2865497 0.4963187 -0.0000000), wk = 0.0028011 k( 90) = ( 0.2807018 0.4861897 -0.0000000), wk = 0.0028011 k( 91) = ( 0.2748538 0.4760607 -0.0000000), wk = 0.0028011 k( 92) = ( 0.2690058 0.4659318 -0.0000000), wk = 0.0028011 k( 93) = ( 0.2631579 0.4558028 -0.0000000), wk = 0.0028011 k( 94) = ( 0.2573099 0.4456739 -0.0000000), wk = 0.0028011 k( 95) = ( 0.2514620 0.4355449 -0.0000000), wk = 0.0028011 k( 96) = ( 0.2456140 0.4254160 -0.0000000), wk = 0.0028011 k( 97) = ( 0.2397661 0.4152870 -0.0000000), wk = 0.0028011 k( 98) = ( 0.2339181 0.4051581 -0.0000000), wk = 0.0028011 k( 99) = ( 0.2280702 0.3950291 -0.0000000), wk = 0.0028011 k( 100) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0028011 k( 101) = ( 0.2163743 0.3747712 -0.0000000), wk = 0.0028011 k( 102) = ( 0.2105263 0.3646423 -0.0000000), wk = 0.0028011 k( 103) = ( 0.2046784 0.3545133 -0.0000000), wk = 0.0028011 k( 104) = ( 0.1988304 0.3443844 -0.0000000), wk = 0.0028011 k( 105) = ( 0.1929825 0.3342554 -0.0000000), wk = 0.0028011 k( 106) = ( 0.1871345 0.3241265 -0.0000000), wk = 0.0028011 k( 107) = ( 0.1812865 0.3139975 -0.0000000), wk = 0.0028011 k( 108) = ( 0.1754386 0.3038686 -0.0000000), wk = 0.0028011 k( 109) = ( 0.1695906 0.2937396 -0.0000000), wk = 0.0028011 k( 110) = ( 0.1637427 0.2836107 -0.0000000), wk = 0.0028011 k( 111) = ( 0.1578947 0.2734817 -0.0000000), wk = 0.0028011 k( 112) = ( 0.1520468 0.2633527 -0.0000000), wk = 0.0028011 k( 113) = ( 0.1461988 0.2532238 -0.0000000), wk = 0.0028011 k( 114) = ( 0.1403509 0.2430949 -0.0000000), wk = 0.0028011 k( 115) = ( 0.1345029 0.2329659 -0.0000000), wk = 0.0028011 k( 116) = ( 0.1286550 0.2228369 -0.0000000), wk = 0.0028011 k( 117) = ( 0.1228070 0.2127080 -0.0000000), wk = 0.0028011 k( 118) = ( 0.1169591 0.2025790 -0.0000000), wk = 0.0028011 k( 119) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0028011 k( 120) = ( 0.1052632 0.1823211 -0.0000000), wk = 0.0028011 k( 121) = ( 0.0994152 0.1721922 -0.0000000), wk = 0.0028011 k( 122) = ( 0.0935673 0.1620632 -0.0000000), wk = 0.0028011 k( 123) = ( 0.0877193 0.1519343 -0.0000000), wk = 0.0028011 k( 124) = ( 0.0818713 0.1418053 -0.0000000), wk = 0.0028011 k( 125) = ( 0.0760234 0.1316764 -0.0000000), wk = 0.0028011 k( 126) = ( 0.0701754 0.1215474 -0.0000000), wk = 0.0028011 k( 127) = ( 0.0643275 0.1114185 -0.0000000), wk = 0.0028011 k( 128) = ( 0.0584795 0.1012895 -0.0000000), wk = 0.0028011 k( 129) = ( 0.0526316 0.0911606 -0.0000000), wk = 0.0028011 k( 130) = ( 0.0467836 0.0810316 -0.0000000), wk = 0.0028011 k( 131) = ( 0.0409357 0.0709027 -0.0000000), wk = 0.0028011 k( 132) = ( 0.0350877 0.0607737 -0.0000000), wk = 0.0028011 k( 133) = ( 0.0292398 0.0506448 -0.0000000), wk = 0.0028011 k( 134) = ( 0.0233918 0.0405158 -0.0000000), wk = 0.0028011 k( 135) = ( 0.0175439 0.0303869 -0.0000000), wk = 0.0028011 k( 136) = ( 0.0116959 0.0202579 -0.0000000), wk = 0.0028011 k( 137) = ( 0.0058480 0.0101289 -0.0000000), wk = 0.0028011 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 140) = ( 0.0000000 0.0000000 0.0117734), wk = 0.0028011 k( 141) = ( 0.0000000 0.0000000 0.0235468), wk = 0.0028011 k( 142) = ( 0.0000000 0.0000000 0.0353202), wk = 0.0028011 k( 143) = ( 0.0000000 0.0000000 0.0470936), wk = 0.0028011 k( 144) = ( 0.0000000 0.0000000 0.0588670), wk = 0.0028011 k( 145) = ( 0.0000000 0.0000000 0.0706404), wk = 0.0028011 k( 146) = ( 0.0000000 0.0000000 0.0824138), wk = 0.0028011 k( 147) = ( 0.0000000 0.0000000 0.0941872), wk = 0.0028011 k( 148) = ( 0.0000000 0.0000000 0.1059607), wk = 0.0028011 k( 149) = ( 0.0000000 0.0000000 0.1177341), wk = 0.0028011 k( 150) = ( 0.0000000 0.0000000 0.1295075), wk = 0.0028011 k( 151) = ( 0.0000000 0.0000000 0.1412809), wk = 0.0028011 k( 152) = ( 0.0000000 0.0000000 0.1530543), wk = 0.0028011 k( 153) = ( 0.0000000 0.0000000 0.1648277), wk = 0.0028011 k( 154) = ( 0.0000000 0.0000000 0.1766011), wk = 0.0028011 k( 155) = ( 0.0000000 0.0000000 0.1883745), wk = 0.0028011 k( 156) = ( 0.0000000 0.0000000 0.2001479), wk = 0.0028011 k( 157) = ( 0.0000000 0.0000000 0.2119213), wk = 0.0028011 k( 158) = ( 0.0000000 0.0000000 0.2236947), wk = 0.0028011 k( 159) = ( 0.0000000 0.0000000 0.2354681), wk = 0.0028011 k( 160) = ( 0.0000000 0.0000000 0.2472415), wk = 0.0028011 k( 161) = ( 0.0000000 0.0000000 0.2590149), wk = 0.0028011 k( 162) = ( 0.0000000 0.0000000 0.2707883), wk = 0.0028011 k( 163) = ( 0.0000000 0.0000000 0.2825617), wk = 0.0028011 k( 164) = ( 0.0000000 0.0000000 0.2943352), wk = 0.0028011 k( 165) = ( 0.0000000 0.0000000 0.3061086), wk = 0.0028011 k( 166) = ( 0.0000000 0.0000000 0.3061086), wk = 0.0028011 k( 167) = ( 0.0102041 0.0058913 0.3061086), wk = 0.0028011 k( 168) = ( 0.0204082 0.0117827 0.3061086), wk = 0.0028011 k( 169) = ( 0.0306122 0.0176740 0.3061086), wk = 0.0028011 k( 170) = ( 0.0408163 0.0235653 0.3061086), wk = 0.0028011 k( 171) = ( 0.0510204 0.0294566 0.3061086), wk = 0.0028011 k( 172) = ( 0.0612245 0.0353480 0.3061086), wk = 0.0028011 k( 173) = ( 0.0714286 0.0412393 0.3061086), wk = 0.0028011 k( 174) = ( 0.0816327 0.0471306 0.3061086), wk = 0.0028011 k( 175) = ( 0.0918367 0.0530220 0.3061086), wk = 0.0028011 k( 176) = ( 0.1020408 0.0589133 0.3061086), wk = 0.0028011 k( 177) = ( 0.1122449 0.0648046 0.3061086), wk = 0.0028011 k( 178) = ( 0.1224490 0.0706960 0.3061086), wk = 0.0028011 k( 179) = ( 0.1326531 0.0765873 0.3061086), wk = 0.0028011 k( 180) = ( 0.1428571 0.0824786 0.3061086), wk = 0.0028011 k( 181) = ( 0.1530612 0.0883699 0.3061086), wk = 0.0028011 k( 182) = ( 0.1632653 0.0942613 0.3061086), wk = 0.0028011 k( 183) = ( 0.1734694 0.1001526 0.3061086), wk = 0.0028011 k( 184) = ( 0.1836735 0.1060439 0.3061086), wk = 0.0028011 k( 185) = ( 0.1938776 0.1119353 0.3061086), wk = 0.0028011 k( 186) = ( 0.2040816 0.1178266 0.3061086), wk = 0.0028011 k( 187) = ( 0.2142857 0.1237179 0.3061086), wk = 0.0028011 k( 188) = ( 0.2244898 0.1296092 0.3061086), wk = 0.0028011 k( 189) = ( 0.2346939 0.1355006 0.3061086), wk = 0.0028011 k( 190) = ( 0.2448980 0.1413919 0.3061086), wk = 0.0028011 k( 191) = ( 0.2551020 0.1472832 0.3061086), wk = 0.0028011 k( 192) = ( 0.2653061 0.1531746 0.3061086), wk = 0.0028011 k( 193) = ( 0.2755102 0.1590659 0.3061086), wk = 0.0028011 k( 194) = ( 0.2857143 0.1649572 0.3061086), wk = 0.0028011 k( 195) = ( 0.2959184 0.1708486 0.3061086), wk = 0.0028011 k( 196) = ( 0.3061224 0.1767399 0.3061086), wk = 0.0028011 k( 197) = ( 0.3163265 0.1826312 0.3061086), wk = 0.0028011 k( 198) = ( 0.3265306 0.1885225 0.3061086), wk = 0.0028011 k( 199) = ( 0.3367347 0.1944139 0.3061086), wk = 0.0028011 k( 200) = ( 0.3469388 0.2003052 0.3061086), wk = 0.0028011 k( 201) = ( 0.3571429 0.2061965 0.3061086), wk = 0.0028011 k( 202) = ( 0.3673469 0.2120879 0.3061086), wk = 0.0028011 k( 203) = ( 0.3775510 0.2179792 0.3061086), wk = 0.0028011 k( 204) = ( 0.3877551 0.2238705 0.3061086), wk = 0.0028011 k( 205) = ( 0.3979592 0.2297618 0.3061086), wk = 0.0028011 k( 206) = ( 0.4081633 0.2356532 0.3061086), wk = 0.0028011 k( 207) = ( 0.4183674 0.2415445 0.3061086), wk = 0.0028011 k( 208) = ( 0.4285714 0.2474358 0.3061086), wk = 0.0028011 k( 209) = ( 0.4387755 0.2533272 0.3061086), wk = 0.0028011 k( 210) = ( 0.4489796 0.2592185 0.3061086), wk = 0.0028011 k( 211) = ( 0.4591837 0.2651098 0.3061086), wk = 0.0028011 k( 212) = ( 0.4693878 0.2710011 0.3061086), wk = 0.0028011 k( 213) = ( 0.4795918 0.2768925 0.3061086), wk = 0.0028011 k( 214) = ( 0.4897959 0.2827838 0.3061086), wk = 0.0028011 k( 215) = ( 0.5000000 0.2886751 0.3061086), wk = 0.0028011 k( 216) = ( 0.5000000 0.2886751 0.3061086), wk = 0.0028011 k( 217) = ( 0.4942529 0.2986294 0.3061086), wk = 0.0028011 k( 218) = ( 0.4885058 0.3085838 0.3061086), wk = 0.0028011 k( 219) = ( 0.4827586 0.3185381 0.3061086), wk = 0.0028011 k( 220) = ( 0.4770115 0.3284924 0.3061086), wk = 0.0028011 k( 221) = ( 0.4712644 0.3384467 0.3061086), wk = 0.0028011 k( 222) = ( 0.4655172 0.3484010 0.3061086), wk = 0.0028011 k( 223) = ( 0.4597701 0.3583553 0.3061086), wk = 0.0028011 k( 224) = ( 0.4540230 0.3683097 0.3061086), wk = 0.0028011 k( 225) = ( 0.4482759 0.3782640 0.3061086), wk = 0.0028011 k( 226) = ( 0.4425287 0.3882183 0.3061086), wk = 0.0028011 k( 227) = ( 0.4367816 0.3981726 0.3061086), wk = 0.0028011 k( 228) = ( 0.4310345 0.4081269 0.3061086), wk = 0.0028011 k( 229) = ( 0.4252874 0.4180812 0.3061086), wk = 0.0028011 k( 230) = ( 0.4195402 0.4280355 0.3061086), wk = 0.0028011 k( 231) = ( 0.4137931 0.4379899 0.3061086), wk = 0.0028011 k( 232) = ( 0.4080460 0.4479442 0.3061086), wk = 0.0028011 k( 233) = ( 0.4022988 0.4578985 0.3061086), wk = 0.0028011 k( 234) = ( 0.3965517 0.4678528 0.3061086), wk = 0.0028011 k( 235) = ( 0.3908046 0.4778071 0.3061086), wk = 0.0028011 k( 236) = ( 0.3850575 0.4877614 0.3061086), wk = 0.0028011 k( 237) = ( 0.3793103 0.4977157 0.3061086), wk = 0.0028011 k( 238) = ( 0.3735632 0.5076701 0.3061086), wk = 0.0028011 k( 239) = ( 0.3678161 0.5176244 0.3061086), wk = 0.0028011 k( 240) = ( 0.3620690 0.5275787 0.3061086), wk = 0.0028011 k( 241) = ( 0.3563218 0.5375330 0.3061086), wk = 0.0028011 k( 242) = ( 0.3505747 0.5474873 0.3061086), wk = 0.0028011 k( 243) = ( 0.3448276 0.5574416 0.3061086), wk = 0.0028011 k( 244) = ( 0.3390805 0.5673960 0.3061086), wk = 0.0028011 k( 245) = ( 0.3333333 0.5773503 0.3061086), wk = 0.0028011 k( 246) = ( 0.3333333 0.5773503 0.3061086), wk = 0.0028011 k( 247) = ( 0.3274854 0.5672213 0.3061086), wk = 0.0028011 k( 248) = ( 0.3216374 0.5570924 0.3061086), wk = 0.0028011 k( 249) = ( 0.3157895 0.5469634 0.3061086), wk = 0.0028011 k( 250) = ( 0.3099415 0.5368345 0.3061086), wk = 0.0028011 k( 251) = ( 0.3040936 0.5267055 0.3061086), wk = 0.0028011 k( 252) = ( 0.2982456 0.5165765 0.3061086), wk = 0.0028011 k( 253) = ( 0.2923977 0.5064476 0.3061086), wk = 0.0028011 k( 254) = ( 0.2865497 0.4963187 0.3061086), wk = 0.0028011 k( 255) = ( 0.2807018 0.4861897 0.3061086), wk = 0.0028011 k( 256) = ( 0.2748538 0.4760607 0.3061086), wk = 0.0028011 k( 257) = ( 0.2690058 0.4659318 0.3061086), wk = 0.0028011 k( 258) = ( 0.2631579 0.4558028 0.3061086), wk = 0.0028011 k( 259) = ( 0.2573099 0.4456739 0.3061086), wk = 0.0028011 k( 260) = ( 0.2514620 0.4355449 0.3061086), wk = 0.0028011 k( 261) = ( 0.2456140 0.4254160 0.3061086), wk = 0.0028011 k( 262) = ( 0.2397661 0.4152870 0.3061086), wk = 0.0028011 k( 263) = ( 0.2339181 0.4051581 0.3061086), wk = 0.0028011 k( 264) = ( 0.2280702 0.3950291 0.3061086), wk = 0.0028011 k( 265) = ( 0.2222222 0.3849002 0.3061086), wk = 0.0028011 k( 266) = ( 0.2163743 0.3747712 0.3061086), wk = 0.0028011 k( 267) = ( 0.2105263 0.3646423 0.3061086), wk = 0.0028011 k( 268) = ( 0.2046784 0.3545133 0.3061086), wk = 0.0028011 k( 269) = ( 0.1988304 0.3443844 0.3061086), wk = 0.0028011 k( 270) = ( 0.1929825 0.3342554 0.3061086), wk = 0.0028011 k( 271) = ( 0.1871345 0.3241265 0.3061086), wk = 0.0028011 k( 272) = ( 0.1812865 0.3139975 0.3061086), wk = 0.0028011 k( 273) = ( 0.1754386 0.3038686 0.3061086), wk = 0.0028011 k( 274) = ( 0.1695906 0.2937396 0.3061086), wk = 0.0028011 k( 275) = ( 0.1637427 0.2836107 0.3061086), wk = 0.0028011 k( 276) = ( 0.1578947 0.2734817 0.3061086), wk = 0.0028011 k( 277) = ( 0.1520468 0.2633527 0.3061086), wk = 0.0028011 k( 278) = ( 0.1461988 0.2532238 0.3061086), wk = 0.0028011 k( 279) = ( 0.1403509 0.2430949 0.3061086), wk = 0.0028011 k( 280) = ( 0.1345029 0.2329659 0.3061086), wk = 0.0028011 k( 281) = ( 0.1286550 0.2228369 0.3061086), wk = 0.0028011 k( 282) = ( 0.1228070 0.2127080 0.3061086), wk = 0.0028011 k( 283) = ( 0.1169591 0.2025790 0.3061086), wk = 0.0028011 k( 284) = ( 0.1111111 0.1924501 0.3061086), wk = 0.0028011 k( 285) = ( 0.1052632 0.1823211 0.3061086), wk = 0.0028011 k( 286) = ( 0.0994152 0.1721922 0.3061086), wk = 0.0028011 k( 287) = ( 0.0935673 0.1620632 0.3061086), wk = 0.0028011 k( 288) = ( 0.0877193 0.1519343 0.3061086), wk = 0.0028011 k( 289) = ( 0.0818713 0.1418053 0.3061086), wk = 0.0028011 k( 290) = ( 0.0760234 0.1316764 0.3061086), wk = 0.0028011 k( 291) = ( 0.0701754 0.1215474 0.3061086), wk = 0.0028011 k( 292) = ( 0.0643275 0.1114185 0.3061086), wk = 0.0028011 k( 293) = ( 0.0584795 0.1012895 0.3061086), wk = 0.0028011 k( 294) = ( 0.0526316 0.0911606 0.3061086), wk = 0.0028011 k( 295) = ( 0.0467836 0.0810316 0.3061086), wk = 0.0028011 k( 296) = ( 0.0409357 0.0709027 0.3061086), wk = 0.0028011 k( 297) = ( 0.0350877 0.0607737 0.3061086), wk = 0.0028011 k( 298) = ( 0.0292398 0.0506448 0.3061086), wk = 0.0028011 k( 299) = ( 0.0233918 0.0405158 0.3061086), wk = 0.0028011 k( 300) = ( 0.0175439 0.0303869 0.3061086), wk = 0.0028011 k( 301) = ( 0.0116959 0.0202579 0.3061086), wk = 0.0028011 k( 302) = ( 0.0058480 0.0101289 0.3061086), wk = 0.0028011 k( 303) = ( 0.0000000 0.0000000 0.3061086), wk = 0.0028011 k( 304) = ( 0.5000000 0.2886751 0.3061086), wk = 0.0028011 k( 305) = ( 0.5000000 0.2886751 0.2943352), wk = 0.0028011 k( 306) = ( 0.5000000 0.2886751 0.2825617), wk = 0.0028011 k( 307) = ( 0.5000000 0.2886751 0.2707883), wk = 0.0028011 k( 308) = ( 0.5000000 0.2886751 0.2590149), wk = 0.0028011 k( 309) = ( 0.5000000 0.2886751 0.2472415), wk = 0.0028011 k( 310) = ( 0.5000000 0.2886751 0.2354681), wk = 0.0028011 k( 311) = ( 0.5000000 0.2886751 0.2236947), wk = 0.0028011 k( 312) = ( 0.5000000 0.2886751 0.2119213), wk = 0.0028011 k( 313) = ( 0.5000000 0.2886751 0.2001479), wk = 0.0028011 k( 314) = ( 0.5000000 0.2886751 0.1883745), wk = 0.0028011 k( 315) = ( 0.5000000 0.2886751 0.1766011), wk = 0.0028011 k( 316) = ( 0.5000000 0.2886751 0.1648277), wk = 0.0028011 k( 317) = ( 0.5000000 0.2886751 0.1530543), wk = 0.0028011 k( 318) = ( 0.5000000 0.2886751 0.1412809), wk = 0.0028011 k( 319) = ( 0.5000000 0.2886751 0.1295075), wk = 0.0028011 k( 320) = ( 0.5000000 0.2886751 0.1177341), wk = 0.0028011 k( 321) = ( 0.5000000 0.2886751 0.1059607), wk = 0.0028011 k( 322) = ( 0.5000000 0.2886751 0.0941872), wk = 0.0028011 k( 323) = ( 0.5000000 0.2886751 0.0824138), wk = 0.0028011 k( 324) = ( 0.5000000 0.2886751 0.0706404), wk = 0.0028011 k( 325) = ( 0.5000000 0.2886751 0.0588670), wk = 0.0028011 k( 326) = ( 0.5000000 0.2886751 0.0470936), wk = 0.0028011 k( 327) = ( 0.5000000 0.2886751 0.0353202), wk = 0.0028011 k( 328) = ( 0.5000000 0.2886751 0.0235468), wk = 0.0028011 k( 329) = ( 0.5000000 0.2886751 0.0117734), wk = 0.0028011 k( 330) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028011 k( 331) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028011 k( 332) = ( 0.3333333 0.5773503 0.0117734), wk = 0.0028011 k( 333) = ( 0.3333333 0.5773503 0.0235468), wk = 0.0028011 k( 334) = ( 0.3333333 0.5773503 0.0353202), wk = 0.0028011 k( 335) = ( 0.3333333 0.5773503 0.0470936), wk = 0.0028011 k( 336) = ( 0.3333333 0.5773503 0.0588670), wk = 0.0028011 k( 337) = ( 0.3333333 0.5773503 0.0706404), wk = 0.0028011 k( 338) = ( 0.3333333 0.5773503 0.0824138), wk = 0.0028011 k( 339) = ( 0.3333333 0.5773503 0.0941872), wk = 0.0028011 k( 340) = ( 0.3333333 0.5773503 0.1059607), wk = 0.0028011 k( 341) = ( 0.3333333 0.5773503 0.1177341), wk = 0.0028011 k( 342) = ( 0.3333333 0.5773503 0.1295075), wk = 0.0028011 k( 343) = ( 0.3333333 0.5773503 0.1412809), wk = 0.0028011 k( 344) = ( 0.3333333 0.5773503 0.1530543), wk = 0.0028011 k( 345) = ( 0.3333333 0.5773503 0.1648277), wk = 0.0028011 k( 346) = ( 0.3333333 0.5773503 0.1766011), wk = 0.0028011 k( 347) = ( 0.3333333 0.5773503 0.1883745), wk = 0.0028011 k( 348) = ( 0.3333333 0.5773503 0.2001479), wk = 0.0028011 k( 349) = ( 0.3333333 0.5773503 0.2119213), wk = 0.0028011 k( 350) = ( 0.3333333 0.5773503 0.2236947), wk = 0.0028011 k( 351) = ( 0.3333333 0.5773503 0.2354681), wk = 0.0028011 k( 352) = ( 0.3333333 0.5773503 0.2472415), wk = 0.0028011 k( 353) = ( 0.3333333 0.5773503 0.2590149), wk = 0.0028011 k( 354) = ( 0.3333333 0.5773503 0.2707883), wk = 0.0028011 k( 355) = ( 0.3333333 0.5773503 0.2825617), wk = 0.0028011 k( 356) = ( 0.3333333 0.5773503 0.2943352), wk = 0.0028011 k( 357) = ( 0.3333333 0.5773503 0.3061086), wk = 0.0028011 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0102041 0.0000000 0.0000000), wk = 0.0028011 k( 3) = ( 0.0204082 0.0000000 0.0000000), wk = 0.0028011 k( 4) = ( 0.0306122 0.0000000 0.0000000), wk = 0.0028011 k( 5) = ( 0.0408163 0.0000000 0.0000000), wk = 0.0028011 k( 6) = ( 0.0510204 0.0000000 0.0000000), wk = 0.0028011 k( 7) = ( 0.0612245 0.0000000 0.0000000), wk = 0.0028011 k( 8) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0028011 k( 9) = ( 0.0816327 0.0000000 0.0000000), wk = 0.0028011 k( 10) = ( 0.0918367 0.0000000 -0.0000000), wk = 0.0028011 k( 11) = ( 0.1020408 0.0000000 0.0000000), wk = 0.0028011 k( 12) = ( 0.1122449 0.0000000 0.0000000), wk = 0.0028011 k( 13) = ( 0.1224490 0.0000000 0.0000000), wk = 0.0028011 k( 14) = ( 0.1326531 0.0000000 0.0000000), wk = 0.0028011 k( 15) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0028011 k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0028011 k( 17) = ( 0.1632653 0.0000000 0.0000000), wk = 0.0028011 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0028011 k( 19) = ( 0.1836735 0.0000000 0.0000000), wk = 0.0028011 k( 20) = ( 0.1938776 0.0000000 0.0000000), wk = 0.0028011 k( 21) = ( 0.2040816 0.0000000 0.0000000), wk = 0.0028011 k( 22) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0028011 k( 23) = ( 0.2244898 0.0000000 0.0000000), wk = 0.0028011 k( 24) = ( 0.2346939 0.0000000 0.0000000), wk = 0.0028011 k( 25) = ( 0.2448980 0.0000000 0.0000000), wk = 0.0028011 k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0028011 k( 27) = ( 0.2653061 0.0000000 0.0000000), wk = 0.0028011 k( 28) = ( 0.2755102 0.0000000 0.0000000), wk = 0.0028011 k( 29) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0028011 k( 30) = ( 0.2959184 0.0000000 0.0000000), wk = 0.0028011 k( 31) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0028011 k( 32) = ( 0.3163265 0.0000000 0.0000000), wk = 0.0028011 k( 33) = ( 0.3265306 0.0000000 0.0000000), wk = 0.0028011 k( 34) = ( 0.3367347 0.0000000 0.0000000), wk = 0.0028011 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0028011 k( 36) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0028011 k( 37) = ( 0.3673469 0.0000000 0.0000000), wk = 0.0028011 k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0028011 k( 39) = ( 0.3877551 0.0000000 0.0000000), wk = 0.0028011 k( 40) = ( 0.3979592 0.0000000 0.0000000), wk = 0.0028011 k( 41) = ( 0.4081633 0.0000000 0.0000000), wk = 0.0028011 k( 42) = ( 0.4183674 0.0000000 0.0000000), wk = 0.0028011 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0028011 k( 44) = ( 0.4387755 0.0000000 -0.0000000), wk = 0.0028011 k( 45) = ( 0.4489796 -0.0000000 -0.0000000), wk = 0.0028011 k( 46) = ( 0.4591837 0.0000000 -0.0000000), wk = 0.0028011 k( 47) = ( 0.4693878 0.0000000 0.0000000), wk = 0.0028011 k( 48) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0028011 k( 49) = ( 0.4897959 0.0000000 0.0000000), wk = 0.0028011 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028011 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028011 k( 52) = ( 0.4942529 0.0114943 0.0000000), wk = 0.0028011 k( 53) = ( 0.4885058 0.0229885 0.0000000), wk = 0.0028011 k( 54) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0028011 k( 55) = ( 0.4770115 0.0459770 0.0000000), wk = 0.0028011 k( 56) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0028011 k( 57) = ( 0.4655172 0.0689655 0.0000000), wk = 0.0028011 k( 58) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0028011 k( 59) = ( 0.4540230 0.0919540 0.0000000), wk = 0.0028011 k( 60) = ( 0.4482759 0.1034483 0.0000000), wk = 0.0028011 k( 61) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0028011 k( 62) = ( 0.4367816 0.1264368 0.0000000), wk = 0.0028011 k( 63) = ( 0.4310345 0.1379310 0.0000000), wk = 0.0028011 k( 64) = ( 0.4252874 0.1494253 0.0000000), wk = 0.0028011 k( 65) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0028011 k( 66) = ( 0.4137931 0.1724138 0.0000000), wk = 0.0028011 k( 67) = ( 0.4080460 0.1839081 0.0000000), wk = 0.0028011 k( 68) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0028011 k( 69) = ( 0.3965517 0.2068966 0.0000000), wk = 0.0028011 k( 70) = ( 0.3908046 0.2183908 0.0000000), wk = 0.0028011 k( 71) = ( 0.3850575 0.2298851 0.0000000), wk = 0.0028011 k( 72) = ( 0.3793103 0.2413793 0.0000000), wk = 0.0028011 k( 73) = ( 0.3735632 0.2528736 0.0000000), wk = 0.0028011 k( 74) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0028011 k( 75) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0028011 k( 76) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0028011 k( 77) = ( 0.3505747 0.2988506 0.0000000), wk = 0.0028011 k( 78) = ( 0.3448276 0.3103448 0.0000000), wk = 0.0028011 k( 79) = ( 0.3390805 0.3218391 0.0000000), wk = 0.0028011 k( 80) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028011 k( 81) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028011 k( 82) = ( 0.3274854 0.3274854 0.0000000), wk = 0.0028011 k( 83) = ( 0.3216374 0.3216374 0.0000000), wk = 0.0028011 k( 84) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0028011 k( 85) = ( 0.3099415 0.3099415 0.0000000), wk = 0.0028011 k( 86) = ( 0.3040936 0.3040936 0.0000000), wk = 0.0028011 k( 87) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0028011 k( 88) = ( 0.2923977 0.2923977 0.0000000), wk = 0.0028011 k( 89) = ( 0.2865497 0.2865497 0.0000000), wk = 0.0028011 k( 90) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0028011 k( 91) = ( 0.2748538 0.2748538 0.0000000), wk = 0.0028011 k( 92) = ( 0.2690058 0.2690058 0.0000000), wk = 0.0028011 k( 93) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0028011 k( 94) = ( 0.2573099 0.2573099 0.0000000), wk = 0.0028011 k( 95) = ( 0.2514620 0.2514620 0.0000000), wk = 0.0028011 k( 96) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0028011 k( 97) = ( 0.2397661 0.2397661 0.0000000), wk = 0.0028011 k( 98) = ( 0.2339181 0.2339181 0.0000000), wk = 0.0028011 k( 99) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0028011 k( 100) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0028011 k( 101) = ( 0.2163743 0.2163743 0.0000000), wk = 0.0028011 k( 102) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0028011 k( 103) = ( 0.2046784 0.2046784 0.0000000), wk = 0.0028011 k( 104) = ( 0.1988304 0.1988304 0.0000000), wk = 0.0028011 k( 105) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0028011 k( 106) = ( 0.1871345 0.1871345 0.0000000), wk = 0.0028011 k( 107) = ( 0.1812865 0.1812866 0.0000000), wk = 0.0028011 k( 108) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0028011 k( 109) = ( 0.1695906 0.1695906 0.0000000), wk = 0.0028011 k( 110) = ( 0.1637427 0.1637427 0.0000000), wk = 0.0028011 k( 111) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0028011 k( 112) = ( 0.1520468 0.1520468 0.0000000), wk = 0.0028011 k( 113) = ( 0.1461988 0.1461988 0.0000000), wk = 0.0028011 k( 114) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0028011 k( 115) = ( 0.1345029 0.1345029 0.0000000), wk = 0.0028011 k( 116) = ( 0.1286550 0.1286550 0.0000000), wk = 0.0028011 k( 117) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0028011 k( 118) = ( 0.1169591 0.1169591 -0.0000000), wk = 0.0028011 k( 119) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0028011 k( 120) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0028011 k( 121) = ( 0.0994152 0.0994152 0.0000000), wk = 0.0028011 k( 122) = ( 0.0935673 0.0935673 0.0000000), wk = 0.0028011 k( 123) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0028011 k( 124) = ( 0.0818713 0.0818714 0.0000000), wk = 0.0028011 k( 125) = ( 0.0760234 0.0760234 0.0000000), wk = 0.0028011 k( 126) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0028011 k( 127) = ( 0.0643275 0.0643275 0.0000000), wk = 0.0028011 k( 128) = ( 0.0584795 0.0584795 -0.0000000), wk = 0.0028011 k( 129) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0028011 k( 130) = ( 0.0467836 0.0467836 0.0000000), wk = 0.0028011 k( 131) = ( 0.0409357 0.0409357 0.0000000), wk = 0.0028011 k( 132) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0028011 k( 133) = ( 0.0292398 0.0292398 0.0000000), wk = 0.0028011 k( 134) = ( 0.0233918 0.0233918 0.0000000), wk = 0.0028011 k( 135) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0028011 k( 136) = ( 0.0116959 0.0116959 0.0000000), wk = 0.0028011 k( 137) = ( 0.0058480 0.0058480 0.0000000), wk = 0.0028011 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 140) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0028011 k( 141) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0028011 k( 142) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0028011 k( 143) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0028011 k( 144) = ( 0.0000000 0.0000000 0.0961539), wk = 0.0028011 k( 145) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0028011 k( 146) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0028011 k( 147) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0028011 k( 148) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0028011 k( 149) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0028011 k( 150) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0028011 k( 151) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0028011 k( 152) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028011 k( 153) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0028011 k( 154) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0028011 k( 155) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0028011 k( 156) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0028011 k( 157) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0028011 k( 158) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0028011 k( 159) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0028011 k( 160) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0028011 k( 161) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0028011 k( 162) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0028011 k( 163) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0028011 k( 164) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0028011 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 167) = ( 0.0102041 0.0000000 0.5000000), wk = 0.0028011 k( 168) = ( 0.0204082 0.0000000 0.5000000), wk = 0.0028011 k( 169) = ( 0.0306122 0.0000000 0.5000000), wk = 0.0028011 k( 170) = ( 0.0408163 0.0000000 0.5000000), wk = 0.0028011 k( 171) = ( 0.0510204 0.0000000 0.5000000), wk = 0.0028011 k( 172) = ( 0.0612245 0.0000000 0.5000000), wk = 0.0028011 k( 173) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0028011 k( 174) = ( 0.0816327 0.0000000 0.5000000), wk = 0.0028011 k( 175) = ( 0.0918367 0.0000000 0.5000000), wk = 0.0028011 k( 176) = ( 0.1020408 0.0000000 0.5000000), wk = 0.0028011 k( 177) = ( 0.1122449 0.0000000 0.5000000), wk = 0.0028011 k( 178) = ( 0.1224490 0.0000000 0.5000000), wk = 0.0028011 k( 179) = ( 0.1326531 0.0000000 0.5000000), wk = 0.0028011 k( 180) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0028011 k( 181) = ( 0.1530612 0.0000000 0.5000000), wk = 0.0028011 k( 182) = ( 0.1632653 0.0000000 0.5000000), wk = 0.0028011 k( 183) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0028011 k( 184) = ( 0.1836735 0.0000000 0.5000000), wk = 0.0028011 k( 185) = ( 0.1938776 0.0000000 0.5000000), wk = 0.0028011 k( 186) = ( 0.2040816 0.0000000 0.5000000), wk = 0.0028011 k( 187) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0028011 k( 188) = ( 0.2244898 0.0000000 0.5000000), wk = 0.0028011 k( 189) = ( 0.2346939 0.0000000 0.5000000), wk = 0.0028011 k( 190) = ( 0.2448980 0.0000000 0.5000000), wk = 0.0028011 k( 191) = ( 0.2551020 0.0000000 0.5000000), wk = 0.0028011 k( 192) = ( 0.2653061 0.0000000 0.5000000), wk = 0.0028011 k( 193) = ( 0.2755102 0.0000000 0.5000000), wk = 0.0028011 k( 194) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0028011 k( 195) = ( 0.2959184 0.0000000 0.5000000), wk = 0.0028011 k( 196) = ( 0.3061224 0.0000000 0.5000000), wk = 0.0028011 k( 197) = ( 0.3163265 0.0000000 0.5000000), wk = 0.0028011 k( 198) = ( 0.3265306 0.0000000 0.5000000), wk = 0.0028011 k( 199) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0028011 k( 200) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0028011 k( 201) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0028011 k( 202) = ( 0.3673469 0.0000000 0.5000000), wk = 0.0028011 k( 203) = ( 0.3775510 0.0000000 0.5000000), wk = 0.0028011 k( 204) = ( 0.3877551 0.0000000 0.5000000), wk = 0.0028011 k( 205) = ( 0.3979592 0.0000000 0.5000000), wk = 0.0028011 k( 206) = ( 0.4081633 0.0000000 0.5000000), wk = 0.0028011 k( 207) = ( 0.4183674 0.0000000 0.5000000), wk = 0.0028011 k( 208) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0028011 k( 209) = ( 0.4387755 0.0000000 0.5000000), wk = 0.0028011 k( 210) = ( 0.4489796 -0.0000000 0.5000000), wk = 0.0028011 k( 211) = ( 0.4591837 0.0000000 0.5000000), wk = 0.0028011 k( 212) = ( 0.4693878 0.0000000 0.5000000), wk = 0.0028011 k( 213) = ( 0.4795918 0.0000000 0.5000000), wk = 0.0028011 k( 214) = ( 0.4897959 0.0000000 0.5000000), wk = 0.0028011 k( 215) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028011 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028011 k( 217) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0028011 k( 218) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0028011 k( 219) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0028011 k( 220) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0028011 k( 221) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0028011 k( 222) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0028011 k( 223) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0028011 k( 224) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0028011 k( 225) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0028011 k( 226) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0028011 k( 227) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0028011 k( 228) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0028011 k( 229) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0028011 k( 230) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0028011 k( 231) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0028011 k( 232) = ( 0.4080460 0.1839081 0.5000000), wk = 0.0028011 k( 233) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0028011 k( 234) = ( 0.3965517 0.2068966 0.5000000), wk = 0.0028011 k( 235) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0028011 k( 236) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0028011 k( 237) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0028011 k( 238) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0028011 k( 239) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0028011 k( 240) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0028011 k( 241) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0028011 k( 242) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0028011 k( 243) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0028011 k( 244) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0028011 k( 245) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028011 k( 246) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028011 k( 247) = ( 0.3274854 0.3274854 0.5000000), wk = 0.0028011 k( 248) = ( 0.3216374 0.3216374 0.5000000), wk = 0.0028011 k( 249) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0028011 k( 250) = ( 0.3099415 0.3099415 0.5000000), wk = 0.0028011 k( 251) = ( 0.3040936 0.3040936 0.5000000), wk = 0.0028011 k( 252) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0028011 k( 253) = ( 0.2923977 0.2923977 0.5000000), wk = 0.0028011 k( 254) = ( 0.2865497 0.2865497 0.5000000), wk = 0.0028011 k( 255) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0028011 k( 256) = ( 0.2748538 0.2748538 0.5000000), wk = 0.0028011 k( 257) = ( 0.2690058 0.2690058 0.5000000), wk = 0.0028011 k( 258) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0028011 k( 259) = ( 0.2573099 0.2573099 0.5000000), wk = 0.0028011 k( 260) = ( 0.2514620 0.2514620 0.5000000), wk = 0.0028011 k( 261) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0028011 k( 262) = ( 0.2397661 0.2397661 0.5000000), wk = 0.0028011 k( 263) = ( 0.2339181 0.2339181 0.5000000), wk = 0.0028011 k( 264) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0028011 k( 265) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0028011 k( 266) = ( 0.2163743 0.2163743 0.5000000), wk = 0.0028011 k( 267) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0028011 k( 268) = ( 0.2046784 0.2046784 0.5000000), wk = 0.0028011 k( 269) = ( 0.1988304 0.1988304 0.5000000), wk = 0.0028011 k( 270) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0028011 k( 271) = ( 0.1871345 0.1871345 0.5000000), wk = 0.0028011 k( 272) = ( 0.1812865 0.1812866 0.5000000), wk = 0.0028011 k( 273) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0028011 k( 274) = ( 0.1695906 0.1695906 0.5000000), wk = 0.0028011 k( 275) = ( 0.1637427 0.1637427 0.5000000), wk = 0.0028011 k( 276) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0028011 k( 277) = ( 0.1520468 0.1520468 0.5000000), wk = 0.0028011 k( 278) = ( 0.1461988 0.1461988 0.5000000), wk = 0.0028011 k( 279) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0028011 k( 280) = ( 0.1345029 0.1345029 0.5000000), wk = 0.0028011 k( 281) = ( 0.1286550 0.1286550 0.5000000), wk = 0.0028011 k( 282) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0028011 k( 283) = ( 0.1169591 0.1169591 0.5000000), wk = 0.0028011 k( 284) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0028011 k( 285) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0028011 k( 286) = ( 0.0994152 0.0994152 0.5000000), wk = 0.0028011 k( 287) = ( 0.0935673 0.0935673 0.5000000), wk = 0.0028011 k( 288) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0028011 k( 289) = ( 0.0818713 0.0818714 0.5000000), wk = 0.0028011 k( 290) = ( 0.0760234 0.0760234 0.5000000), wk = 0.0028011 k( 291) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0028011 k( 292) = ( 0.0643275 0.0643275 0.5000000), wk = 0.0028011 k( 293) = ( 0.0584795 0.0584795 0.5000000), wk = 0.0028011 k( 294) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0028011 k( 295) = ( 0.0467836 0.0467836 0.5000000), wk = 0.0028011 k( 296) = ( 0.0409357 0.0409357 0.5000000), wk = 0.0028011 k( 297) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0028011 k( 298) = ( 0.0292398 0.0292398 0.5000000), wk = 0.0028011 k( 299) = ( 0.0233918 0.0233918 0.5000000), wk = 0.0028011 k( 300) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0028011 k( 301) = ( 0.0116959 0.0116959 0.5000000), wk = 0.0028011 k( 302) = ( 0.0058480 0.0058480 0.5000000), wk = 0.0028011 k( 303) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 304) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028011 k( 305) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0028011 k( 306) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0028011 k( 307) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0028011 k( 308) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0028011 k( 309) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0028011 k( 310) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0028011 k( 311) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0028011 k( 312) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0028011 k( 313) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0028011 k( 314) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0028011 k( 315) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0028011 k( 316) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0028011 k( 317) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028011 k( 318) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0028011 k( 319) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0028011 k( 320) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0028011 k( 321) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0028011 k( 322) = ( 0.5000000 0.0000000 0.1538462), wk = 0.0028011 k( 323) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0028011 k( 324) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0028011 k( 325) = ( 0.5000000 0.0000000 0.0961539), wk = 0.0028011 k( 326) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0028011 k( 327) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0028011 k( 328) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0028011 k( 329) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0028011 k( 330) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028011 k( 331) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028011 k( 332) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0028011 k( 333) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0028011 k( 334) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0028011 k( 335) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0028011 k( 336) = ( 0.3333333 0.3333333 0.0961539), wk = 0.0028011 k( 337) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0028011 k( 338) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0028011 k( 339) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0028011 k( 340) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0028011 k( 341) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0028011 k( 342) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0028011 k( 343) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0028011 k( 344) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028011 k( 345) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0028011 k( 346) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0028011 k( 347) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0028011 k( 348) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0028011 k( 349) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0028011 k( 350) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0028011 k( 351) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0028011 k( 352) = ( 0.3333333 0.3333333 0.4038462), wk = 0.0028011 k( 353) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0028011 k( 354) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0028011 k( 355) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0028011 k( 356) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0028011 k( 357) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028011 Dense grid: 67621 G-vectors FFT dimensions: ( 45, 45, 75) Smooth grid: 24347 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 126, 42) NL pseudopotentials 0.13 Mb ( 63, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1404) G-vector shells 0.00 Mb ( 616) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 126, 168) Each subspace H/S matrix 0.43 Mb ( 168, 168) Each matrix 0.17 Mb ( 136, 2, 42) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./ScCuS2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.3 secs Computing kpt #: 2 total cpu time spent up to now is 45.7 secs Computing kpt #: 3 total cpu time spent up to now is 46.9 secs Computing kpt #: 4 total cpu time spent up to now is 48.1 secs Computing kpt #: 5 total cpu time spent up to now is 49.2 secs Computing kpt #: 6 total cpu time spent up to now is 50.5 secs Computing kpt #: 7 total cpu time spent up to now is 52.0 secs Computing kpt #: 8 total cpu time spent up to now is 53.5 secs Computing kpt #: 9 total cpu time spent up to now is 54.9 secs Computing kpt #: 10 total cpu time spent up to now is 56.5 secs Computing kpt #: 11 total cpu time spent up to now is 58.0 secs Computing kpt #: 12 total cpu time spent up to now is 59.6 secs Computing kpt #: 13 total cpu time spent up to now is 61.1 secs Computing kpt #: 14 total cpu time spent up to now is 62.6 secs Computing kpt #: 15 total cpu time spent up to now is 64.1 secs Computing kpt #: 16 total cpu time spent up to now is 65.5 secs Computing kpt #: 17 total cpu time spent up to now is 66.9 secs Computing kpt #: 18 total cpu time spent up to now is 68.5 secs Computing kpt #: 19 total cpu time spent up to now is 70.1 secs Computing kpt #: 20 total cpu time spent up to now is 71.5 secs Computing kpt #: 21 total cpu time spent up to now is 72.9 secs Computing kpt #: 22 total cpu time spent up to now is 74.3 secs Computing kpt #: 23 total cpu time spent up to now is 75.8 secs Computing kpt #: 24 total cpu time spent up to now is 77.2 secs Computing kpt #: 25 total cpu time spent up to now is 78.7 secs Computing kpt #: 26 total cpu time spent up to now is 80.1 secs Computing kpt #: 27 total cpu time spent up to now is 81.8 secs Computing kpt #: 28 total cpu time spent up to now is 83.3 secs Computing kpt #: 29 total cpu time spent up to now is 84.7 secs Computing kpt #: 30 total cpu time spent up to now is 86.2 secs Computing kpt #: 31 total cpu time spent up to now is 87.7 secs Computing kpt #: 32 total cpu time spent up to now is 89.2 secs Computing kpt #: 33 total cpu time spent up to now is 90.7 secs Computing kpt #: 34 total cpu time spent up to now is 92.2 secs Computing kpt #: 35 total cpu time spent up to now is 93.8 secs Computing kpt #: 36 total cpu time spent up to now is 95.8 secs Computing kpt #: 37 total cpu time spent up to now is 97.5 secs Computing kpt #: 38 total cpu time spent up to now is 99.3 secs Computing kpt #: 39 total cpu time spent up to now is 100.8 secs Computing kpt #: 40 total cpu time spent up to now is 102.4 secs Computing kpt #: 41 total cpu time spent up to now is 104.1 secs Computing kpt #: 42 total cpu time spent up to now is 105.7 secs Computing kpt #: 43 total cpu time spent up to now is 107.3 secs Computing kpt #: 44 total cpu time spent up to now is 109.0 secs Computing kpt #: 45 total cpu time spent up to now is 111.1 secs Computing kpt #: 46 total cpu time spent up to now is 112.7 secs Computing kpt #: 47 total cpu time spent up to now is 114.3 secs Computing kpt #: 48 total cpu time spent up to now is 116.5 secs Computing kpt #: 49 total cpu time spent up to now is 118.1 secs Computing kpt #: 50 total cpu time spent up to now is 119.6 secs Computing kpt #: 51 total cpu time spent up to now is 121.0 secs Computing kpt #: 52 total cpu time spent up to now is 123.0 secs Computing kpt #: 53 total cpu time spent up to now is 124.8 secs Computing kpt #: 54 total cpu time spent up to now is 126.5 secs Computing kpt #: 55 total cpu time spent up to now is 128.1 secs Computing kpt #: 56 total cpu time spent up to now is 129.9 secs Computing kpt #: 57 total cpu time spent up to now is 131.4 secs Computing kpt #: 58 total cpu time spent up to now is 133.0 secs Computing kpt #: 59 total cpu time spent up to now is 134.6 secs Computing kpt #: 60 total cpu time spent up to now is 136.1 secs Computing kpt #: 61 total cpu time spent up to now is 137.6 secs Computing kpt #: 62 total cpu time spent up to now is 138.9 secs Computing kpt #: 63 total cpu time spent up to now is 140.2 secs Computing kpt #: 64 total cpu time spent up to now is 141.7 secs Computing kpt #: 65 total cpu time spent up to now is 143.5 secs Computing kpt #: 66 total cpu time spent up to now is 145.3 secs Computing kpt #: 67 total cpu time spent up to now is 146.8 secs Computing kpt #: 68 total cpu time spent up to now is 148.1 secs Computing kpt #: 69 total cpu time spent up to now is 149.4 secs Computing kpt #: 70 total cpu time spent up to now is 150.7 secs Computing kpt #: 71 total cpu time spent up to now is 152.2 secs Computing kpt #: 72 total cpu time spent up to now is 153.5 secs Computing kpt #: 73 total cpu time spent up to now is 154.8 secs Computing kpt #: 74 total cpu time spent up to now is 156.0 secs Computing kpt #: 75 total cpu time spent up to now is 157.4 secs Computing kpt #: 76 total cpu time spent up to now is 158.8 secs Computing kpt #: 77 total cpu time spent up to now is 160.1 secs Computing kpt #: 78 total cpu time spent up to now is 161.5 secs Computing kpt #: 79 total cpu time spent up to now is 162.8 secs Computing kpt #: 80 total cpu time spent up to now is 164.2 secs Computing kpt #: 81 total cpu time spent up to now is 165.7 secs Computing kpt #: 82 total cpu time spent up to now is 167.0 secs Computing kpt #: 83 total cpu time spent up to now is 168.4 secs Computing kpt #: 84 total cpu time spent up to now is 169.7 secs Computing kpt #: 85 total cpu time spent up to now is 171.2 secs Computing kpt #: 86 total cpu time spent up to now is 172.6 secs Computing kpt #: 87 total cpu time spent up to now is 174.1 secs Computing kpt #: 88 total cpu time spent up to now is 175.5 secs Computing kpt #: 89 total cpu time spent up to now is 176.9 secs Computing kpt #: 90 total cpu time spent up to now is 178.3 secs Computing kpt #: 91 total cpu time spent up to now is 179.6 secs Computing kpt #: 92 total cpu time spent up to now is 180.8 secs Computing kpt #: 93 total cpu time spent up to now is 182.1 secs Computing kpt #: 94 total cpu time spent up to now is 183.5 secs Computing kpt #: 95 total cpu time spent up to now is 184.8 secs Computing kpt #: 96 total cpu time spent up to now is 186.0 secs Computing kpt #: 97 total cpu time spent up to now is 187.2 secs Computing kpt #: 98 total cpu time spent up to now is 188.5 secs Computing kpt #: 99 total cpu time spent up to now is 189.8 secs Computing kpt #: 100 total cpu time spent up to now is 191.0 secs Computing kpt #: 101 total cpu time spent up to now is 192.2 secs Computing kpt #: 102 total cpu time spent up to now is 193.4 secs Computing kpt #: 103 total cpu time spent up to now is 194.6 secs Computing kpt #: 104 total cpu time spent up to now is 195.9 secs Computing kpt #: 105 total cpu time spent up to now is 197.2 secs Computing kpt #: 106 total cpu time spent up to now is 198.4 secs Computing kpt #: 107 total cpu time spent up to now is 199.6 secs Computing kpt #: 108 total cpu time spent up to now is 201.0 secs Computing kpt #: 109 total cpu time spent up to now is 202.4 secs Computing kpt #: 110 total cpu time spent up to now is 203.5 secs Computing kpt #: 111 total cpu time spent up to now is 204.8 secs Computing kpt #: 112 total cpu time spent up to now is 206.2 secs Computing kpt #: 113 total cpu time spent up to now is 207.4 secs Computing kpt #: 114 total cpu time spent up to now is 208.7 secs Computing kpt #: 115 total cpu time spent up to now is 210.1 secs Computing kpt #: 116 total cpu time spent up to now is 211.4 secs Computing kpt #: 117 total cpu time spent up to now is 212.8 secs Computing kpt #: 118 total cpu time spent up to now is 214.3 secs Computing kpt #: 119 total cpu time spent up to now is 215.7 secs Computing kpt #: 120 total cpu time spent up to now is 217.1 secs Computing kpt #: 121 total cpu time spent up to now is 218.5 secs Computing kpt #: 122 total cpu time spent up to now is 220.0 secs Computing kpt #: 123 total cpu time spent up to now is 221.5 secs Computing kpt #: 124 total cpu time spent up to now is 222.9 secs Computing kpt #: 125 total cpu time spent up to now is 224.5 secs Computing kpt #: 126 total cpu time spent up to now is 226.1 secs Computing kpt #: 127 total cpu time spent up to now is 227.6 secs Computing kpt #: 128 total cpu time spent up to now is 229.2 secs Computing kpt #: 129 total cpu time spent up to now is 230.7 secs Computing kpt #: 130 total cpu time spent up to now is 232.4 secs Computing kpt #: 131 total cpu time spent up to now is 233.9 secs Computing kpt #: 132 total cpu time spent up to now is 235.4 secs Computing kpt #: 133 total cpu time spent up to now is 237.0 secs Computing kpt #: 134 total cpu time spent up to now is 238.3 secs Computing kpt #: 135 total cpu time spent up to now is 239.5 secs Computing kpt #: 136 total cpu time spent up to now is 240.8 secs Computing kpt #: 137 total cpu time spent up to now is 242.1 secs Computing kpt #: 138 total cpu time spent up to now is 243.4 secs Computing kpt #: 139 total cpu time spent up to now is 244.6 secs Computing kpt #: 140 total cpu time spent up to now is 245.7 secs Computing kpt #: 141 total cpu time spent up to now is 247.0 secs Computing kpt #: 142 total cpu time spent up to now is 248.2 secs Computing kpt #: 143 total cpu time spent up to now is 249.4 secs Computing kpt #: 144 total cpu time spent up to now is 250.6 secs Computing kpt #: 145 total cpu time spent up to now is 251.9 secs Computing kpt #: 146 total cpu time spent up to now is 253.1 secs Computing kpt #: 147 total cpu time spent up to now is 254.4 secs Computing kpt #: 148 total cpu time spent up to now is 255.8 secs Computing kpt #: 149 total cpu time spent up to now is 257.1 secs Computing kpt #: 150 total cpu time spent up to now is 258.5 secs Computing kpt #: 151 total cpu time spent up to now is 260.0 secs Computing kpt #: 152 total cpu time spent up to now is 261.6 secs Computing kpt #: 153 total cpu time spent up to now is 263.2 secs Computing kpt #: 154 total cpu time spent up to now is 265.0 secs Computing kpt #: 155 total cpu time spent up to now is 267.0 secs Computing kpt #: 156 total cpu time spent up to now is 268.7 secs Computing kpt #: 157 total cpu time spent up to now is 270.5 secs Computing kpt #: 158 total cpu time spent up to now is 272.4 secs Computing kpt #: 159 total cpu time spent up to now is 274.3 secs Computing kpt #: 160 total cpu time spent up to now is 276.2 secs Computing kpt #: 161 total cpu time spent up to now is 278.0 secs Computing kpt #: 162 total cpu time spent up to now is 279.7 secs Computing kpt #: 163 total cpu time spent up to now is 281.8 secs Computing kpt #: 164 total cpu time spent up to now is 283.9 secs Computing kpt #: 165 total cpu time spent up to now is 285.8 secs Computing kpt #: 166 total cpu time spent up to now is 287.6 secs Computing kpt #: 167 total cpu time spent up to now is 289.5 secs Computing kpt #: 168 total cpu time spent up to now is 291.1 secs Computing kpt #: 169 total cpu time spent up to now is 292.6 secs Computing kpt #: 170 total cpu time spent up to now is 294.2 secs Computing kpt #: 171 total cpu time spent up to now is 295.7 secs Computing kpt #: 172 total cpu time spent up to now is 297.3 secs Computing kpt #: 173 total cpu time spent up to now is 298.7 secs Computing kpt #: 174 total cpu time spent up to now is 300.1 secs Computing kpt #: 175 total cpu time spent up to now is 301.4 secs Computing kpt #: 176 total cpu time spent up to now is 302.8 secs Computing kpt #: 177 total cpu time spent up to now is 304.1 secs Computing kpt #: 178 total cpu time spent up to now is 305.4 secs Computing kpt #: 179 total cpu time spent up to now is 306.6 secs Computing kpt #: 180 total cpu time spent up to now is 307.8 secs Computing kpt #: 181 total cpu time spent up to now is 309.1 secs Computing kpt #: 182 total cpu time spent up to now is 310.3 secs Computing kpt #: 183 total cpu time spent up to now is 311.2 secs Computing kpt #: 184 total cpu time spent up to now is 312.5 secs Computing kpt #: 185 total cpu time spent up to now is 313.8 secs Computing kpt #: 186 total cpu time spent up to now is 315.3 secs Computing kpt #: 187 total cpu time spent up to now is 316.5 secs Computing kpt #: 188 total cpu time spent up to now is 317.7 secs Computing kpt #: 189 total cpu time spent up to now is 319.0 secs Computing kpt #: 190 total cpu time spent up to now is 320.4 secs Computing kpt #: 191 total cpu time spent up to now is 321.7 secs Computing kpt #: 192 total cpu time spent up to now is 323.0 secs Computing kpt #: 193 total cpu time spent up to now is 324.4 secs Computing kpt #: 194 total cpu time spent up to now is 325.8 secs Computing kpt #: 195 total cpu time spent up to now is 327.2 secs Computing kpt #: 196 total cpu time spent up to now is 328.6 secs Computing kpt #: 197 total cpu time spent up to now is 330.1 secs Computing kpt #: 198 total cpu time spent up to now is 331.5 secs Computing kpt #: 199 total cpu time spent up to now is 333.2 secs Computing kpt #: 200 total cpu time spent up to now is 334.8 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 337.9 secs Computing kpt #: 202 total cpu time spent up to now is 339.4 secs Computing kpt #: 203 total cpu time spent up to now is 341.1 secs Computing kpt #: 204 total cpu time spent up to now is 342.6 secs Computing kpt #: 205 total cpu time spent up to now is 344.0 secs Computing kpt #: 206 total cpu time spent up to now is 345.5 secs Computing kpt #: 207 total cpu time spent up to now is 346.8 secs Computing kpt #: 208 total cpu time spent up to now is 348.2 secs Computing kpt #: 209 total cpu time spent up to now is 349.7 secs Computing kpt #: 210 total cpu time spent up to now is 351.2 secs Computing kpt #: 211 total cpu time spent up to now is 352.7 secs Computing kpt #: 212 total cpu time spent up to now is 354.1 secs Computing kpt #: 213 total cpu time spent up to now is 355.6 secs Computing kpt #: 214 total cpu time spent up to now is 357.0 secs Computing kpt #: 215 total cpu time spent up to now is 358.5 secs Computing kpt #: 216 total cpu time spent up to now is 359.9 secs Computing kpt #: 217 total cpu time spent up to now is 361.4 secs Computing kpt #: 218 total cpu time spent up to now is 362.9 secs Computing kpt #: 219 total cpu time spent up to now is 364.4 secs Computing kpt #: 220 total cpu time spent up to now is 365.9 secs Computing kpt #: 221 total cpu time spent up to now is 367.3 secs Computing kpt #: 222 total cpu time spent up to now is 368.8 secs Computing kpt #: 223 total cpu time spent up to now is 370.2 secs Computing kpt #: 224 total cpu time spent up to now is 371.6 secs Computing kpt #: 225 total cpu time spent up to now is 373.0 secs Computing kpt #: 226 total cpu time spent up to now is 374.5 secs Computing kpt #: 227 total cpu time spent up to now is 375.9 secs Computing kpt #: 228 total cpu time spent up to now is 377.3 secs Computing kpt #: 229 total cpu time spent up to now is 378.6 secs Computing kpt #: 230 total cpu time spent up to now is 380.0 secs Computing kpt #: 231 total cpu time spent up to now is 381.4 secs Computing kpt #: 232 total cpu time spent up to now is 382.7 secs Computing kpt #: 233 total cpu time spent up to now is 384.0 secs Computing kpt #: 234 total cpu time spent up to now is 385.4 secs Computing kpt #: 235 total cpu time spent up to now is 386.9 secs Computing kpt #: 236 total cpu time spent up to now is 388.2 secs Computing kpt #: 237 total cpu time spent up to now is 389.5 secs Computing kpt #: 238 total cpu time spent up to now is 390.8 secs Computing kpt #: 239 total cpu time spent up to now is 392.3 secs Computing kpt #: 240 total cpu time spent up to now is 393.7 secs Computing kpt #: 241 total cpu time spent up to now is 395.1 secs Computing kpt #: 242 total cpu time spent up to now is 396.6 secs Computing kpt #: 243 total cpu time spent up to now is 398.0 secs Computing kpt #: 244 total cpu time spent up to now is 399.5 secs Computing kpt #: 245 total cpu time spent up to now is 400.9 secs Computing kpt #: 246 total cpu time spent up to now is 402.2 secs Computing kpt #: 247 total cpu time spent up to now is 403.7 secs Computing kpt #: 248 total cpu time spent up to now is 405.1 secs Computing kpt #: 249 total cpu time spent up to now is 406.5 secs Computing kpt #: 250 total cpu time spent up to now is 407.9 secs Computing kpt #: 251 total cpu time spent up to now is 409.3 secs Computing kpt #: 252 total cpu time spent up to now is 410.8 secs Computing kpt #: 253 total cpu time spent up to now is 412.2 secs Computing kpt #: 254 total cpu time spent up to now is 413.6 secs Computing kpt #: 255 total cpu time spent up to now is 415.0 secs Computing kpt #: 256 total cpu time spent up to now is 416.5 secs Computing kpt #: 257 total cpu time spent up to now is 417.9 secs Computing kpt #: 258 total cpu time spent up to now is 419.3 secs Computing kpt #: 259 total cpu time spent up to now is 420.7 secs Computing kpt #: 260 total cpu time spent up to now is 422.2 secs Computing kpt #: 261 total cpu time spent up to now is 423.7 secs Computing kpt #: 262 total cpu time spent up to now is 425.1 secs Computing kpt #: 263 total cpu time spent up to now is 426.6 secs Computing kpt #: 264 total cpu time spent up to now is 428.0 secs Computing kpt #: 265 total cpu time spent up to now is 429.6 secs Computing kpt #: 266 total cpu time spent up to now is 431.0 secs Computing kpt #: 267 total cpu time spent up to now is 432.5 secs Computing kpt #: 268 total cpu time spent up to now is 433.9 secs Computing kpt #: 269 total cpu time spent up to now is 435.4 secs Computing kpt #: 270 total cpu time spent up to now is 437.0 secs Computing kpt #: 271 total cpu time spent up to now is 438.5 secs Computing kpt #: 272 total cpu time spent up to now is 440.1 secs Computing kpt #: 273 total cpu time spent up to now is 441.6 secs Computing kpt #: 274 total cpu time spent up to now is 443.3 secs Computing kpt #: 275 total cpu time spent up to now is 445.6 secs Computing kpt #: 276 total cpu time spent up to now is 447.9 secs Computing kpt #: 277 total cpu time spent up to now is 449.9 secs Computing kpt #: 278 total cpu time spent up to now is 451.3 secs Computing kpt #: 279 total cpu time spent up to now is 452.8 secs Computing kpt #: 280 total cpu time spent up to now is 454.2 secs Computing kpt #: 281 total cpu time spent up to now is 455.6 secs Computing kpt #: 282 total cpu time spent up to now is 457.0 secs Computing kpt #: 283 total cpu time spent up to now is 458.4 secs Computing kpt #: 284 total cpu time spent up to now is 459.8 secs Computing kpt #: 285 total cpu time spent up to now is 461.2 secs Computing kpt #: 286 total cpu time spent up to now is 462.4 secs Computing kpt #: 287 total cpu time spent up to now is 463.7 secs Computing kpt #: 288 total cpu time spent up to now is 465.1 secs Computing kpt #: 289 total cpu time spent up to now is 466.2 secs Computing kpt #: 290 total cpu time spent up to now is 467.6 secs Computing kpt #: 291 total cpu time spent up to now is 469.0 secs Computing kpt #: 292 total cpu time spent up to now is 470.3 secs Computing kpt #: 293 total cpu time spent up to now is 471.7 secs Computing kpt #: 294 total cpu time spent up to now is 473.1 secs Computing kpt #: 295 total cpu time spent up to now is 474.5 secs Computing kpt #: 296 total cpu time spent up to now is 476.2 secs Computing kpt #: 297 total cpu time spent up to now is 477.8 secs Computing kpt #: 298 total cpu time spent up to now is 479.4 secs Computing kpt #: 299 total cpu time spent up to now is 481.0 secs Computing kpt #: 300 total cpu time spent up to now is 482.7 secs Computing kpt #: 301 total cpu time spent up to now is 484.8 secs Computing kpt #: 302 total cpu time spent up to now is 486.8 secs Computing kpt #: 303 total cpu time spent up to now is 488.8 secs Computing kpt #: 304 total cpu time spent up to now is 490.3 secs Computing kpt #: 305 total cpu time spent up to now is 491.7 secs Computing kpt #: 306 total cpu time spent up to now is 493.2 secs Computing kpt #: 307 total cpu time spent up to now is 494.6 secs Computing kpt #: 308 total cpu time spent up to now is 496.1 secs Computing kpt #: 309 total cpu time spent up to now is 497.6 secs Computing kpt #: 310 total cpu time spent up to now is 499.1 secs Computing kpt #: 311 total cpu time spent up to now is 500.6 secs Computing kpt #: 312 total cpu time spent up to now is 502.1 secs Computing kpt #: 313 total cpu time spent up to now is 503.6 secs Computing kpt #: 314 total cpu time spent up to now is 505.1 secs Computing kpt #: 315 total cpu time spent up to now is 506.6 secs Computing kpt #: 316 total cpu time spent up to now is 508.1 secs Computing kpt #: 317 total cpu time spent up to now is 509.7 secs Computing kpt #: 318 total cpu time spent up to now is 511.3 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 514.3 secs Computing kpt #: 320 total cpu time spent up to now is 516.0 secs Computing kpt #: 321 total cpu time spent up to now is 517.7 secs Computing kpt #: 322 total cpu time spent up to now is 519.4 secs Computing kpt #: 323 total cpu time spent up to now is 521.4 secs Computing kpt #: 324 total cpu time spent up to now is 523.5 secs Computing kpt #: 325 total cpu time spent up to now is 525.1 secs Computing kpt #: 326 total cpu time spent up to now is 526.8 secs Computing kpt #: 327 total cpu time spent up to now is 528.8 secs Computing kpt #: 328 total cpu time spent up to now is 530.8 secs Computing kpt #: 329 total cpu time spent up to now is 532.8 secs Computing kpt #: 330 total cpu time spent up to now is 534.3 secs Computing kpt #: 331 total cpu time spent up to now is 535.7 secs Computing kpt #: 332 total cpu time spent up to now is 537.1 secs Computing kpt #: 333 total cpu time spent up to now is 538.4 secs Computing kpt #: 334 total cpu time spent up to now is 539.7 secs Computing kpt #: 335 total cpu time spent up to now is 541.1 secs Computing kpt #: 336 total cpu time spent up to now is 542.5 secs Computing kpt #: 337 total cpu time spent up to now is 543.8 secs Computing kpt #: 338 total cpu time spent up to now is 545.2 secs Computing kpt #: 339 total cpu time spent up to now is 546.6 secs Computing kpt #: 340 total cpu time spent up to now is 548.0 secs Computing kpt #: 341 total cpu time spent up to now is 549.5 secs Computing kpt #: 342 total cpu time spent up to now is 550.7 secs Computing kpt #: 343 total cpu time spent up to now is 552.1 secs Computing kpt #: 344 total cpu time spent up to now is 553.5 secs Computing kpt #: 345 total cpu time spent up to now is 554.9 secs Computing kpt #: 346 total cpu time spent up to now is 556.3 secs Computing kpt #: 347 total cpu time spent up to now is 557.7 secs Computing kpt #: 348 total cpu time spent up to now is 559.0 secs Computing kpt #: 349 total cpu time spent up to now is 560.4 secs Computing kpt #: 350 total cpu time spent up to now is 561.8 secs Computing kpt #: 351 total cpu time spent up to now is 563.3 secs Computing kpt #: 352 total cpu time spent up to now is 564.7 secs Computing kpt #: 353 total cpu time spent up to now is 566.0 secs Computing kpt #: 354 total cpu time spent up to now is 567.3 secs Computing kpt #: 355 total cpu time spent up to now is 568.7 secs Computing kpt #: 356 total cpu time spent up to now is 570.1 secs Computing kpt #: 357 total cpu time spent up to now is 571.4 secs ethr = 2.94E-11, avg # of iterations = 39.1 total cpu time spent up to now is 571.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3015 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8564 -19.8564 -5.5505 -5.5505 -4.0405 -4.0405 2.6466 2.6466 4.4532 4.4532 4.4701 4.4701 5.0769 5.0769 5.8614 5.8614 5.9322 5.9322 6.4724 6.4724 6.5270 6.5270 8.2852 8.2852 8.4355 8.4355 8.4389 8.4389 9.9854 9.9854 9.9949 9.9949 10.0442 10.0442 10.9513 10.9513 k = 0.0102 0.0059-0.0000 ( 3019 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8565 -19.8565 -5.5497 -5.5496 -4.0404 -4.0401 2.6476 2.6480 4.4521 4.4522 4.4689 4.4694 5.0763 5.0771 5.8590 5.8621 5.9315 5.9316 6.4719 6.4719 6.5246 6.5283 8.2815 8.2854 8.4303 8.4317 8.4365 8.4369 9.9834 9.9892 9.9957 9.9964 10.0437 10.0481 10.9562 10.9569 k = 0.0204 0.0118-0.0000 ( 3017 PWs) bands (ev): -41.4576 -41.4576 -20.3945 -20.3943 -19.9073 -19.9072 -19.8567 -19.8567 -5.5472 -5.5471 -4.0400 -4.0394 2.6511 2.6518 4.4482 4.4490 4.4661 4.4677 5.0752 5.0768 5.8547 5.8615 5.9293 5.9299 6.4701 6.4704 6.5215 6.5286 8.2735 8.2814 8.4165 8.4214 8.4294 8.4304 9.9814 9.9922 10.0007 10.0024 10.0473 10.0548 10.9713 10.9726 k = 0.0306 0.0177-0.0000 ( 3017 PWs) bands (ev): -41.4576 -41.4576 -20.3946 -20.3944 -19.9074 -19.9072 -19.8570 -19.8570 -5.5431 -5.5430 -4.0391 -4.0383 2.6569 2.6580 4.4402 4.4422 4.4629 4.4662 5.0737 5.0760 5.8482 5.8593 5.9254 5.9274 6.4665 6.4676 6.5183 6.5282 8.2585 8.2699 8.3989 8.4063 8.4182 8.4201 9.9788 9.9910 10.0128 10.0137 10.0548 10.0636 10.9955 10.9973 k = 0.0408 0.0236-0.0000 ( 3017 PWs) bands (ev): -41.4575 -41.4575 -20.3949 -20.3946 -19.9076 -19.9072 -19.8575 -19.8575 -5.5374 -5.5372 -4.0379 -4.0369 2.6650 2.6666 4.4279 4.4311 4.4604 4.4652 5.0717 5.0747 5.8392 5.8556 5.9199 5.9246 6.4608 6.4633 6.5156 6.5274 8.2329 8.2462 8.3833 8.3891 8.4056 8.4058 9.9755 9.9877 10.0294 10.0297 10.0653 10.0740 11.0273 11.0296 k = 0.0510 0.0295-0.0000 ( 3015 PWs) bands (ev): -41.4574 -41.4574 -20.3952 -20.3948 -19.9077 -19.9073 -19.8581 -19.8581 -5.5301 -5.5298 -4.0364 -4.0351 2.6756 2.6775 4.4114 4.4156 4.4584 4.4646 5.0692 5.0728 5.8274 5.8501 5.9130 5.9216 6.4526 6.4572 6.5140 6.5267 8.1950 8.2076 8.3697 8.3727 8.3888 8.3951 9.9715 9.9832 10.0496 10.0500 10.0780 10.0855 11.0644 11.0671 k = 0.0612 0.0353-0.0000 ( 3014 PWs) bands (ev): -41.4573 -41.4573 -20.3955 -20.3951 -19.9079 -19.9074 -19.8588 -19.8588 -5.5211 -5.5208 -4.0344 -4.0329 2.6885 2.6908 4.3911 4.3962 4.4567 4.4641 5.0662 5.0703 5.8125 5.8422 5.9053 5.9186 6.4422 6.4493 6.5136 6.5266 8.1457 8.1562 8.3467 8.3595 8.3764 8.3890 9.9667 9.9776 10.0717 10.0737 10.0932 10.0977 11.1039 11.1069 k = 0.0714 0.0412-0.0000 ( 3020 PWs) bands (ev): -41.4572 -41.4572 -20.3959 -20.3954 -19.9081 -19.9076 -19.8597 -19.8597 -5.5106 -5.5102 -4.0321 -4.0303 2.7037 2.7064 4.3672 4.3731 4.4551 4.4636 5.0626 5.0671 5.7946 5.8312 5.8973 5.9158 6.4299 6.4394 6.5143 6.5273 8.0875 8.0957 8.3202 8.3364 8.3737 8.3860 9.9610 9.9711 10.0925 10.0995 10.1111 10.1131 11.1427 11.1460 k = 0.0816 0.0471-0.0000 ( 3030 PWs) bands (ev): -41.4571 -41.4571 -20.3964 -20.3958 -19.9084 -19.9078 -19.8607 -19.8607 -5.4985 -5.4981 -4.0295 -4.0275 2.7212 2.7243 4.3398 4.3465 4.4534 4.4631 5.0584 5.0633 5.7737 5.8164 5.8898 5.9131 6.4163 6.4279 6.5159 6.5287 8.0233 8.0293 8.2909 8.3090 8.3733 8.3843 9.9545 9.9637 10.1093 10.1197 10.1328 10.1395 11.1783 11.1819 k = 0.0918 0.0530-0.0000 ( 3026 PWs) bands (ev): -41.4570 -41.4570 -20.3969 -20.3963 -19.9087 -19.9080 -19.8618 -19.8617 -5.4849 -5.4844 -4.0265 -4.0242 2.7410 2.7445 4.3092 4.3166 4.4517 4.4624 5.0536 5.0587 5.7497 5.7975 5.8830 5.9106 6.4020 6.4151 6.5183 6.5309 7.9552 7.9591 8.2592 8.2791 8.3726 8.3825 9.9472 9.9557 10.1240 10.1332 10.1632 10.1698 11.2092 11.2133 k = 0.1020 0.0589-0.0000 ( 3034 PWs) bands (ev): -41.4568 -41.4568 -20.3975 -20.3968 -19.9090 -19.9082 -19.8630 -19.8629 -5.4699 -5.4693 -4.0232 -4.0207 2.7630 2.7669 4.2755 4.2836 4.4499 4.4616 5.0480 5.0533 5.7228 5.7745 5.8770 5.9082 6.3873 6.4012 6.5211 6.5337 7.8848 7.8868 8.2257 8.2472 8.3703 8.3793 9.9390 9.9468 10.1381 10.1463 10.1958 10.2022 11.2357 11.2402 k = 0.1122 0.0648-0.0000 ( 3034 PWs) bands (ev): -41.4567 -41.4567 -20.3981 -20.3973 -19.9094 -19.9085 -19.8642 -19.8641 -5.4533 -5.4527 -4.0196 -4.0169 2.7871 2.7915 4.2388 4.2476 4.4479 4.4606 5.0417 5.0471 5.6932 5.7476 5.8718 5.9059 6.3726 6.3868 6.5244 6.5371 7.8136 7.8139 8.1907 8.2138 8.3656 8.3739 9.9300 9.9372 10.1524 10.1597 10.2294 10.2357 11.2589 11.2639 k = 0.1224 0.0707-0.0000 ( 3036 PWs) bands (ev): -41.4565 -41.4565 -20.3987 -20.3979 -19.9098 -19.9088 -19.8656 -19.8655 -5.4354 -5.4348 -4.0156 -4.0127 2.8134 2.8182 4.1993 4.2087 4.4458 4.4594 5.0345 5.0400 5.6609 5.7170 5.8671 5.9037 6.3581 6.3718 6.5281 6.5410 7.7412 7.7427 8.1546 8.1792 8.3578 8.3656 9.9203 9.9270 10.1672 10.1739 10.2634 10.2697 11.2805 11.2859 k = 0.1327 0.0766-0.0000 ( 3038 PWs) bands (ev): -41.4563 -41.4563 -20.3994 -20.3986 -19.9102 -19.9092 -19.8670 -19.8668 -5.4162 -5.4154 -4.0114 -4.0083 2.8417 2.8469 4.1572 4.1670 4.4436 4.4580 5.0264 5.0319 5.6262 5.6832 5.8629 5.9016 6.3441 6.3567 6.5320 6.5453 7.6696 7.6729 8.1176 8.1437 8.3463 8.3538 9.9098 9.9161 10.1829 10.1891 10.2975 10.3037 11.3020 11.3078 k = 0.1429 0.0825-0.0000 ( 3036 PWs) bands (ev): -41.4561 -41.4561 -20.4002 -20.3993 -19.9107 -19.9096 -19.8684 -19.8683 -5.3956 -5.3948 -4.0069 -4.0036 2.8721 2.8777 4.1127 4.1229 4.4412 4.4564 5.0174 5.0228 5.5894 5.6466 5.8592 5.8996 6.3307 6.3417 6.5361 6.5499 7.5999 7.6048 8.0801 8.1076 8.3308 8.3382 9.8987 9.9046 10.1999 10.2058 10.3311 10.3373 11.3244 11.3305 k = 0.1531 0.0884-0.0000 ( 3040 PWs) bands (ev): -41.4559 -41.4559 -20.4010 -20.4000 -19.9112 -19.9100 -19.8699 -19.8697 -5.3738 -5.3730 -4.0021 -3.9987 2.9043 2.9104 4.0658 4.0763 4.4386 4.4546 5.0072 5.0126 5.5507 5.6076 5.8558 5.8976 6.3178 6.3268 6.5404 6.5546 7.5325 7.5391 8.0422 8.0711 8.3110 8.3185 9.8870 9.8926 10.2184 10.2240 10.3641 10.3702 11.3485 11.3548 k = 0.1633 0.0943-0.0000 ( 3042 PWs) bands (ev): -41.4557 -41.4557 -20.4018 -20.4008 -19.9118 -19.9105 -19.8715 -19.8712 -5.3508 -5.3500 -3.9971 -3.9935 2.9384 2.9449 4.0168 4.0275 4.4359 4.4525 4.9958 5.0011 5.5105 5.5665 5.8528 5.8959 6.3056 6.3121 6.5447 6.5596 7.4679 7.4761 8.0041 8.0345 8.2868 8.2944 9.8749 9.8801 10.2387 10.2441 10.3962 10.4022 11.3747 11.3812 k = 0.1735 0.1002-0.0000 ( 3036 PWs) bands (ev): -41.4555 -41.4555 -20.4027 -20.4016 -19.9124 -19.9110 -19.8730 -19.8727 -5.3268 -5.3259 -3.9919 -3.9881 2.9741 2.9811 3.9660 3.9767 4.4330 4.4502 4.9831 4.9884 5.4692 5.5240 5.8502 5.8943 6.2941 6.2979 6.5491 6.5647 7.4063 7.4162 7.9660 7.9978 8.2582 8.2661 9.8624 9.8674 10.2609 10.2662 10.4272 10.4330 11.4031 11.4097 k = 0.1837 0.1060-0.0000 ( 3036 PWs) bands (ev): -41.4553 -41.4553 -20.4036 -20.4025 -19.9131 -19.9116 -19.8746 -19.8743 -5.3017 -5.3007 -3.9865 -3.9826 3.0114 3.0189 3.9136 3.9241 4.4299 4.4476 4.9690 4.9742 5.4271 5.4805 5.8480 5.8928 6.2832 6.2842 6.5534 6.5699 7.3481 7.3596 7.9280 7.9612 8.2253 8.2335 9.8496 9.8544 10.2851 10.2904 10.4569 10.4627 11.4336 11.4403 k = 0.1939 0.1119-0.0000 ( 3036 PWs) bands (ev): -41.4550 -41.4550 -20.4045 -20.4034 -19.9139 -19.9123 -19.8761 -19.8758 -5.2756 -5.2746 -3.9809 -3.9769 3.0500 3.0581 3.8597 3.8700 4.4266 4.4447 4.9534 4.9584 5.3847 5.4365 5.8462 5.8917 6.2709 6.2730 6.5577 6.5750 7.2933 7.3063 7.8903 7.9249 8.1881 8.1968 9.8367 9.8413 10.3115 10.3167 10.4854 10.4911 11.4661 11.4726 k = 0.2041 0.1178-0.0000 ( 3040 PWs) bands (ev): -41.4548 -41.4548 -20.4055 -20.4043 -19.9147 -19.9131 -19.8776 -19.8772 -5.2487 -5.2476 -3.9751 -3.9710 3.0898 3.0985 3.8048 3.8147 4.4231 4.4416 4.9361 4.9409 5.3426 5.3926 5.8449 5.8907 6.2583 6.2634 6.5619 6.5801 7.2419 7.2564 7.8530 7.8889 8.1470 8.1564 9.8238 9.8282 10.3399 10.3451 10.5127 10.5182 11.5002 11.5065 k = 0.2143 0.1237-0.0000 ( 3040 PWs) bands (ev): -41.4545 -41.4545 -20.4065 -20.4053 -19.9156 -19.9139 -19.8791 -19.8787 -5.2210 -5.2199 -3.9692 -3.9650 3.1302 3.1397 3.7493 3.7586 4.4195 4.4382 4.9170 4.9216 5.3013 5.3492 5.8440 5.8900 6.2464 6.2545 6.5659 6.5852 7.1941 7.2099 7.8161 7.8533 8.1023 8.1124 9.8110 9.8151 10.3703 10.3755 10.5387 10.5442 11.5355 11.5415 k = 0.2245 0.1296-0.0000 ( 3038 PWs) bands (ev): -41.4543 -41.4543 -20.4075 -20.4063 -19.9165 -19.9148 -19.8805 -19.8800 -5.1926 -5.1915 -3.9632 -3.9589 3.1708 3.1812 3.6939 3.7024 4.4158 4.4346 4.8960 4.9003 5.2611 5.3070 5.8437 5.8897 6.2352 6.2462 6.5697 6.5902 7.1497 7.1667 7.7797 7.8183 8.0543 8.0652 9.7983 9.8022 10.4026 10.4077 10.5637 10.5690 11.5715 11.5771 k = 0.2347 0.1355-0.0000 ( 3040 PWs) bands (ev): -41.4540 -41.4540 -20.4085 -20.4073 -19.9175 -19.9158 -19.8818 -19.8814 -5.1636 -5.1624 -3.9571 -3.9527 3.2105 3.2220 3.6398 3.6472 4.4118 4.4308 4.8730 4.8770 5.2224 5.2661 5.8439 5.8897 6.2248 6.2385 6.5733 6.5949 7.1088 7.1267 7.7438 7.7839 8.0033 8.0153 9.7858 9.7896 10.4366 10.4418 10.5877 10.5929 11.6077 11.6129 k = 0.2449 0.1414-0.0000 ( 3042 PWs) bands (ev): -41.4538 -41.4538 -20.4095 -20.4084 -19.9186 -19.9169 -19.8831 -19.8826 -5.1341 -5.1329 -3.9509 -3.9465 3.2470 3.2602 3.5892 3.5949 4.4078 4.4267 4.8482 4.8517 5.1857 5.2271 5.8446 5.8900 6.2152 6.2315 6.5767 6.5995 7.0711 7.0898 7.7086 7.7502 7.9498 7.9631 9.7736 9.7772 10.4723 10.4773 10.6109 10.6160 11.6437 11.6482 k = 0.2551 0.1473-0.0000 ( 3042 PWs) bands (ev): -41.4535 -41.4535 -20.4106 -20.4094 -19.9198 -19.9180 -19.8843 -19.8838 -5.1042 -5.1031 -3.9447 -3.9402 3.2759 3.2912 3.5468 3.5503 4.4036 4.4224 4.8216 4.8245 5.1510 5.1901 5.8459 5.8907 6.2066 6.2253 6.5797 6.6038 7.0367 7.0557 7.6740 7.7171 7.8942 7.9089 9.7618 9.7651 10.5093 10.5143 10.6333 10.6384 11.6788 11.6826 k = 0.2653 0.1532-0.0000 ( 3054 PWs) bands (ev): -41.4533 -41.4533 -20.4117 -20.4105 -19.9210 -19.9192 -19.8854 -19.8849 -5.0741 -5.0729 -3.9385 -3.9340 3.2884 3.3055 3.5215 3.5228 4.3992 4.4179 4.7933 4.7956 5.1184 5.1551 5.8477 5.8918 6.1990 6.2197 6.5824 6.6078 7.0052 7.0243 7.6400 7.6847 7.8368 7.8533 9.7503 9.7535 10.5475 10.5525 10.6552 10.6602 11.7125 11.7155 k = 0.2755 0.1591-0.0000 ( 3056 PWs) bands (ev): -41.4530 -41.4530 -20.4128 -20.4116 -19.9223 -19.9205 -19.8865 -19.8859 -5.0439 -5.0426 -3.9322 -3.9277 3.2756 3.2927 3.5221 3.5233 4.3948 4.4133 4.7638 4.7655 5.0879 5.1222 5.8501 5.8932 6.1925 6.2150 6.5847 6.6114 6.9766 6.9955 7.6065 7.6531 7.7780 7.7967 9.7393 9.7422 10.5868 10.5917 10.6767 10.6817 11.7443 11.7464 k = 0.2857 0.1650-0.0000 ( 3060 PWs) bands (ev): -41.4528 -41.4528 -20.4138 -20.4127 -19.9236 -19.9218 -19.8874 -19.8869 -5.0136 -5.0123 -3.9260 -3.9215 3.2405 3.2561 3.5459 3.5484 4.3904 4.4085 4.7335 4.7346 5.0591 5.0912 5.8531 5.8951 6.1872 6.2112 6.5867 6.6147 6.9508 6.9689 7.5733 7.6220 7.7185 7.7398 9.7287 9.7315 10.6267 10.6316 10.6979 10.7029 11.7738 11.7749 k = 0.2959 0.1708-0.0000 ( 3060 PWs) bands (ev): -41.4525 -41.4525 -20.4149 -20.4137 -19.9249 -19.9232 -19.8883 -19.8877 -4.9834 -4.9821 -3.9198 -3.9154 3.1931 3.2070 3.5830 3.5869 4.3859 4.4035 4.7027 4.7032 5.0319 5.0619 5.8566 5.8973 6.1830 6.2083 6.5882 6.6177 6.9275 6.9445 7.5401 7.5910 7.6590 7.6832 9.7186 9.7212 10.6670 10.6721 10.7189 10.7241 11.8005 11.8005 k = 0.3061 0.1767-0.0000 ( 3060 PWs) bands (ev): -41.4523 -41.4523 -20.4159 -20.4148 -19.9263 -19.9246 -19.8890 -19.8885 -4.9534 -4.9522 -3.9137 -3.9094 3.1402 3.1526 3.6267 3.6317 4.3814 4.3985 4.6718 4.6718 5.0061 5.0340 5.8606 5.8999 6.1802 6.2064 6.5894 6.6202 6.9066 6.9220 7.5063 7.5582 7.6017 7.6282 9.7089 9.7113 10.7072 10.7127 10.7399 10.7456 11.8230 11.8241 k = 0.3163 0.1826-0.0000 ( 3060 PWs) bands (ev): -41.4521 -41.4521 -20.4170 -20.4159 -19.9276 -19.9260 -19.8897 -19.8892 -4.9239 -4.9226 -3.9077 -3.9034 3.0851 3.0963 3.6738 3.6797 4.3768 4.3934 4.6409 4.6413 4.9812 5.0073 5.8651 5.9028 6.1788 6.2056 6.5901 6.6223 6.8880 6.9012 7.4705 7.5165 7.5542 7.5761 9.6998 9.7020 10.7459 10.7524 10.7616 10.7685 11.8420 11.8443 k = 0.3265 0.1885-0.0000 ( 3056 PWs) bands (ev): -41.4518 -41.4518 -20.4179 -20.4169 -19.9290 -19.9274 -19.8903 -19.8899 -4.8948 -4.8936 -3.9019 -3.8977 3.0295 3.0396 3.7227 3.7293 4.3724 4.3883 4.6108 4.6114 4.9571 4.9816 5.8701 5.9061 6.1788 6.2059 6.5904 6.6240 6.8715 6.8820 7.4311 7.4618 7.5208 7.5292 9.6912 9.6932 10.7779 10.7798 10.7952 10.7976 11.8577 11.8612 k = 0.3367 0.1944-0.0000 ( 3064 PWs) bands (ev): -41.4516 -41.4516 -20.4189 -20.4179 -19.9303 -19.9288 -19.8909 -19.8905 -4.8664 -4.8652 -3.8961 -3.8921 2.9742 2.9835 3.7726 3.7797 4.3680 4.3832 4.5817 4.5826 4.9336 4.9565 5.8754 5.9096 6.1804 6.2075 6.5903 6.6253 6.8569 6.8640 7.3867 7.4025 7.4891 7.4933 9.6831 9.6849 10.8006 10.8016 10.8343 10.8346 11.8700 11.8747 k = 0.3469 0.2003-0.0000 ( 3060 PWs) bands (ev): -41.4514 -41.4514 -20.4199 -20.4189 -19.9316 -19.9302 -19.8913 -19.8910 -4.8388 -4.8376 -3.8906 -3.8866 2.9201 2.9285 3.8229 3.8305 4.3637 4.3781 4.5539 4.5550 4.9105 4.9319 5.8812 5.9135 6.1836 6.2104 6.5898 6.6261 6.8441 6.8471 7.3379 7.3423 7.4557 7.4684 9.6755 9.6772 10.8209 10.8227 10.8723 10.8732 11.8794 11.8852 k = 0.3571 0.2062-0.0000 ( 3056 PWs) bands (ev): -41.4512 -41.4512 -20.4208 -20.4198 -19.9329 -19.9315 -19.8918 -19.8914 -4.8121 -4.8109 -3.8852 -3.8814 2.8676 2.8753 3.8731 3.8811 4.3595 4.3732 4.5276 4.5289 4.8876 4.9078 5.8872 5.9175 6.1884 6.2147 6.5889 6.6265 6.8312 6.8331 7.2824 7.2865 7.4274 7.4452 9.6684 9.6699 10.8409 10.8430 10.9095 10.9106 11.8863 11.8931 k = 0.3673 0.2121-0.0000 ( 3060 PWs) bands (ev): -41.4510 -41.4510 -20.4216 -20.4208 -19.9341 -19.9329 -19.8921 -19.8918 -4.7865 -4.7853 -3.8801 -3.8765 2.8171 2.8241 3.9230 3.9314 4.3555 4.3682 4.5030 4.5045 4.8648 4.8838 5.8935 5.9217 6.1950 6.2206 6.5876 6.6264 6.8158 6.8235 7.2231 7.2342 7.4028 7.4235 9.6618 9.6632 10.8605 10.8626 10.9451 10.9460 11.8913 11.8991 k = 0.3776 0.2180-0.0000 ( 3056 PWs) bands (ev): -41.4508 -41.4508 -20.4224 -20.4216 -19.9353 -19.9341 -19.8925 -19.8922 -4.7620 -4.7610 -3.8752 -3.8718 2.7690 2.7753 3.9723 3.9809 4.3517 4.3635 4.4802 4.4819 4.8421 4.8599 5.9000 5.9260 6.2034 6.2281 6.5858 6.6259 6.8009 6.8154 7.1650 7.1825 7.3811 7.4032 9.6557 9.6570 10.8796 10.8817 10.9784 10.9792 11.8952 11.9038 k = 0.3878 0.2239-0.0000 ( 3054 PWs) bands (ev): -41.4506 -41.4506 -20.4232 -20.4224 -19.9364 -19.9353 -19.8927 -19.8925 -4.7390 -4.7380 -3.8706 -3.8674 2.7236 2.7292 4.0206 4.0295 4.3481 4.3588 4.4592 4.4611 4.8193 4.8361 5.9065 5.9304 6.2137 6.2372 6.5837 6.6250 6.7862 6.8086 7.1082 7.1321 7.3618 7.3843 9.6502 9.6512 10.8980 10.9002 11.0090 11.0096 11.8989 11.9081 k = 0.3980 0.2298-0.0000 ( 3066 PWs) bands (ev): -41.4505 -41.4505 -20.4239 -20.4232 -19.9374 -19.9364 -19.8930 -19.8928 -4.7174 -4.7165 -3.8663 -3.8633 2.6811 2.6862 4.0677 4.0768 4.3448 4.3544 4.4402 4.4423 4.7964 4.8121 5.9129 5.9346 6.2258 6.2480 6.5811 6.6236 6.7712 6.8029 7.0531 7.0839 7.3446 7.3668 9.6451 9.6460 10.9157 10.9177 11.0364 11.0368 11.9033 11.9128 k = 0.4082 0.2357-0.0000 ( 3062 PWs) bands (ev): -41.4503 -41.4503 -20.4246 -20.4239 -19.9384 -19.9375 -19.8932 -19.8930 -4.6975 -4.6966 -3.8622 -3.8595 2.6420 2.6464 4.1132 4.1226 4.3417 4.3502 4.4233 4.4258 4.7733 4.7881 5.9193 5.9388 6.2398 6.2605 6.5781 6.6218 6.7559 6.7984 7.0000 7.0385 7.3294 7.3508 9.6405 9.6413 10.9325 10.9344 11.0603 11.0606 11.9089 11.9187 k = 0.4184 0.2415-0.0000 ( 3060 PWs) bands (ev): -41.4502 -41.4502 -20.4252 -20.4246 -19.9392 -19.9384 -19.8934 -19.8932 -4.6793 -4.6784 -3.8586 -3.8561 2.6063 2.6102 4.1570 4.1665 4.3390 4.3461 4.4086 4.4115 4.7500 4.7639 5.9255 5.9427 6.2557 6.2749 6.5746 6.6193 6.7398 6.7947 6.9494 6.9968 7.3161 7.3362 9.6364 9.6371 10.9482 10.9499 11.0806 11.0807 11.9164 11.9261 k = 0.4286 0.2474-0.0000 ( 3068 PWs) bands (ev): -41.4501 -41.4501 -20.4257 -20.4252 -19.9400 -19.9393 -19.8936 -19.8934 -4.6629 -4.6621 -3.8552 -3.8530 2.5743 2.5776 4.1983 4.2079 4.3366 4.3423 4.3964 4.3998 4.7266 4.7395 5.9313 5.9464 6.2733 6.2909 6.5703 6.6158 6.7229 6.7914 6.9022 6.9593 7.3047 7.3230 9.6328 9.6334 10.9625 10.9641 11.0972 11.0972 11.9258 11.9352 k = 0.4388 0.2533-0.0000 ( 3068 PWs) bands (ev): -41.4500 -41.4500 -20.4262 -20.4257 -19.9407 -19.9401 -19.8937 -19.8936 -4.6485 -4.6478 -3.8523 -3.8504 2.5461 2.5490 4.2365 4.2460 4.3347 4.3388 4.3873 4.3911 4.7031 4.7151 5.9367 5.9496 6.2925 6.3085 6.5652 6.6108 6.7059 6.7873 6.8599 6.9266 7.2950 7.3114 9.6297 9.6302 10.9754 10.9768 11.1103 11.1103 11.9372 11.9460 k = 0.4490 0.2592-0.0000 ( 3068 PWs) bands (ev): -41.4499 -41.4499 -20.4266 -20.4262 -19.9412 -19.9407 -19.8938 -19.8937 -4.6361 -4.6355 -3.8497 -3.8481 2.5221 2.5245 4.2702 4.2788 4.3335 4.3357 4.3824 4.3865 4.6797 4.6907 5.9416 5.9523 6.3131 6.3274 6.5591 6.6032 6.6899 6.7784 6.8273 6.8989 7.2872 7.3012 9.6271 9.6275 10.9867 10.9878 11.1202 11.1202 11.9498 11.9577 k = 0.4592 0.2651-0.0000 ( 3068 PWs) bands (ev): -41.4498 -41.4498 -20.4269 -20.4266 -19.9417 -19.9413 -19.8939 -19.8938 -4.6258 -4.6254 -3.8476 -3.8463 2.5023 2.5042 4.2967 4.3028 4.3332 4.3333 4.3845 4.3878 4.6569 4.6668 5.9460 5.9545 6.3346 6.3472 6.5517 6.5918 6.6771 6.7578 6.8121 6.8760 7.2811 7.2926 9.6250 9.6253 10.9961 10.9971 11.1273 11.1274 11.9628 11.9697 k = 0.4694 0.2710-0.0000 ( 3068 PWs) bands (ev): -41.4498 -41.4498 -20.4271 -20.4269 -19.9420 -19.9417 -19.8940 -19.8939 -4.6178 -4.6174 -3.8459 -3.8449 2.4868 2.4882 4.3130 4.3149 4.3319 4.3341 4.3958 4.3966 4.6355 4.6439 5.9497 5.9561 6.3560 6.3668 6.5433 6.5761 6.6693 6.7316 6.8092 6.8576 7.2768 7.2856 9.6234 9.6236 11.0037 11.0044 11.1323 11.1323 11.9752 11.9807 k = 0.4796 0.2769-0.0000 ( 3062 PWs) bands (ev): -41.4497 -41.4497 -20.4272 -20.4271 -19.9423 -19.9421 -19.8940 -19.8939 -4.6120 -4.6117 -3.8446 -3.8439 2.4757 2.4766 4.3187 4.3191 4.3323 4.3347 4.4110 4.4122 4.6171 4.6236 5.9527 5.9569 6.3760 6.3844 6.5348 6.5581 6.6669 6.7080 6.8112 6.8429 7.2741 7.2801 9.6222 9.6224 11.0092 11.0096 11.1354 11.1355 11.9856 11.9894 k = 0.4898 0.2828-0.0000 ( 3052 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4272 -19.9424 -19.9423 -19.8940 -19.8939 -4.6084 -4.6083 -3.8437 -3.8434 2.4691 2.4696 4.3197 4.3202 4.3333 4.3345 4.4244 4.4257 4.6045 4.6082 5.9549 5.9571 6.3920 6.3969 6.5292 6.5415 6.6695 6.6897 6.8157 6.8314 7.2732 7.2762 9.6215 9.6216 11.0126 11.0128 11.1372 11.1372 11.9929 11.9948 k = 0.5000 0.2887-0.0000 ( 3038 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9423 -19.9423 -19.8939 -19.8939 -4.6072 -4.6072 -3.8433 -3.8433 2.4671 2.4671 4.3201 4.3201 4.3340 4.3340 4.4305 4.4305 4.6011 4.6011 5.9564 5.9564 6.4000 6.4000 6.5309 6.5309 6.6770 6.6770 6.8224 6.8224 7.2739 7.2739 9.6214 9.6214 11.0138 11.0138 11.1377 11.1377 11.9961 11.9961 k = 0.5000 0.2887-0.0000 ( 3038 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9423 -19.9423 -19.8939 -19.8939 -4.6072 -4.6072 -3.8433 -3.8433 2.4671 2.4671 4.3201 4.3201 4.3340 4.3340 4.4305 4.4305 4.6011 4.6011 5.9564 5.9564 6.4000 6.4000 6.5309 6.5309 6.6770 6.6770 6.8224 6.8224 7.2739 7.2739 9.6214 9.6214 11.0138 11.0138 11.1377 11.1377 11.9961 11.9961 k = 0.4943 0.2986-0.0000 ( 3056 PWs) bands (ev): -41.4497 -41.4497 -20.4274 -20.4272 -19.9424 -19.9423 -19.8941 -19.8940 -4.6070 -4.6070 -3.8433 -3.8430 2.4677 2.4682 4.3099 4.3210 4.3293 4.3437 4.4296 4.4329 4.6007 4.6015 5.9520 5.9552 6.3820 6.4124 6.5215 6.5437 6.6620 6.6922 6.8206 6.8238 7.2683 7.2829 9.6241 9.6246 11.0124 11.0131 11.1365 11.1372 11.9937 11.9950 k = 0.4885 0.3086-0.0000 ( 3062 PWs) bands (ev): -41.4497 -41.4497 -20.4275 -20.4272 -19.9424 -19.9422 -19.8943 -19.8941 -4.6063 -4.6062 -3.8428 -3.8423 2.4701 2.4711 4.2973 4.3063 4.3364 4.3516 4.4305 4.4366 4.6005 4.6022 5.9422 5.9485 6.3605 6.4179 6.5167 6.5585 6.6476 6.7069 6.8188 6.8244 7.2665 7.2952 9.6330 9.6339 11.0089 11.0103 11.1334 11.1348 11.9875 11.9903 k = 0.4828 0.3185-0.0000 ( 3062 PWs) bands (ev): -41.4497 -41.4497 -20.4276 -20.4271 -19.9424 -19.9420 -19.8946 -19.8944 -4.6051 -4.6050 -3.8420 -3.8412 2.4743 2.4758 4.2818 4.2886 4.3433 4.3582 4.4330 4.4411 4.6005 4.6031 5.9270 5.9361 6.3372 6.4165 6.5168 6.5743 6.6345 6.7206 6.8176 6.8242 7.2683 7.3102 9.6477 9.6491 11.0033 11.0056 11.1286 11.1308 11.9761 11.9806 k = 0.4770 0.3285-0.0000 ( 3062 PWs) bands (ev): -41.4496 -41.4496 -20.4278 -20.4270 -19.9423 -19.9418 -19.8950 -19.8947 -4.6035 -4.6034 -3.8408 -3.8397 2.4802 2.4822 4.2630 4.2682 4.3501 4.3642 4.4366 4.4460 4.6006 4.6041 5.9062 5.9180 6.3135 6.4102 6.5203 6.5894 6.6235 6.7323 6.8177 6.8232 7.2734 7.3273 9.6679 9.6697 10.9958 10.9988 11.1220 11.1250 11.9573 11.9637 k = 0.4713 0.3384-0.0000 ( 3058 PWs) bands (ev): -41.4496 -41.4496 -20.4279 -20.4270 -19.9421 -19.9415 -19.8955 -19.8951 -4.6014 -4.6013 -3.8392 -3.8379 2.4879 2.4903 4.2406 4.2455 4.3572 4.3702 4.4408 4.4510 4.6010 4.6053 5.8802 5.8942 6.2907 6.4011 6.5257 6.5988 6.6193 6.7412 6.8190 6.8226 7.2814 7.3461 9.6932 9.6954 10.9865 10.9902 11.1137 11.1176 11.9289 11.9370 k = 0.4655 0.3484-0.0000 ( 3058 PWs) bands (ev): -41.4496 -41.4496 -20.4280 -20.4269 -19.9420 -19.9412 -19.8961 -19.8957 -4.5989 -4.5987 -3.8373 -3.8357 2.4973 2.5002 4.2145 4.2203 4.3647 4.3766 4.4453 4.4560 4.6015 4.6066 5.8492 5.8649 6.2695 6.3911 6.5316 6.5949 6.6292 6.7465 6.8171 6.8277 7.2918 7.3657 9.7231 9.7257 10.9753 10.9799 11.1040 11.1088 11.8909 11.8999 k = 0.4598 0.3584-0.0000 ( 3054 PWs) bands (ev): -41.4496 -41.4496 -20.4281 -20.4269 -19.9417 -19.9408 -19.8968 -19.8963 -4.5960 -4.5958 -3.8351 -3.8332 2.5084 2.5118 4.1852 4.1924 4.3728 4.3837 4.4500 4.4607 4.6022 4.6081 5.8136 5.8305 6.2505 6.3813 6.5374 6.5870 6.6437 6.7485 6.8136 6.8370 7.3038 7.3858 9.7570 9.7598 10.9626 10.9680 11.0928 11.0986 11.8461 11.8553 k = 0.4540 0.3683-0.0000 ( 3054 PWs) bands (ev): -41.4495 -41.4495 -20.4283 -20.4268 -19.9415 -19.9404 -19.8975 -19.8970 -4.5927 -4.5924 -3.8325 -3.8304 2.5212 2.5251 4.1528 4.1616 4.3816 4.3914 4.4547 4.4653 4.6030 4.6097 5.7741 5.7919 6.2337 6.3722 6.5428 6.5791 6.6585 6.7479 6.8096 6.8491 7.3170 7.4056 9.7943 9.7973 10.9485 10.9548 11.0804 11.0873 11.7983 11.8072 k = 0.4483 0.3783-0.0000 ( 3058 PWs) bands (ev): -41.4495 -41.4495 -20.4285 -20.4268 -19.9412 -19.9399 -19.8984 -19.8979 -4.5890 -4.5887 -3.8297 -3.8273 2.5356 2.5401 4.1176 4.1278 4.3911 4.4000 4.4592 4.4697 4.6039 4.6115 5.7314 5.7497 6.2190 6.3642 6.5473 6.5720 6.6729 6.7460 6.8053 6.8630 7.3305 7.4249 9.8341 9.8373 10.9333 10.9404 11.0670 11.0750 11.7499 11.7584 k = 0.4425 0.3882-0.0000 ( 3052 PWs) bands (ev): -41.4494 -41.4494 -20.4286 -20.4268 -19.9408 -19.9395 -19.8993 -19.8987 -4.5850 -4.5847 -3.8266 -3.8239 2.5517 2.5566 4.0796 4.0912 4.4013 4.4094 4.4637 4.4740 4.6049 4.6135 5.6862 5.7049 6.2063 6.3574 6.5502 6.5666 6.6867 6.7435 6.8011 6.8783 7.3441 7.4431 9.8760 9.8793 10.9172 10.9252 11.0529 11.0621 11.7026 11.7108 k = 0.4368 0.3982-0.0000 ( 3052 PWs) bands (ev): -41.4494 -41.4494 -20.4288 -20.4268 -19.9404 -19.9389 -19.9003 -19.8997 -4.5807 -4.5804 -3.8233 -3.8204 2.5693 2.5748 4.0391 4.0518 4.4122 4.4196 4.4682 4.4782 4.6061 4.6155 5.6392 5.6583 6.1953 6.3518 6.5494 6.5646 6.6989 6.7414 6.7974 6.8946 7.3570 7.4599 9.9191 9.9226 10.9006 10.9096 11.0383 11.0486 11.6571 11.6650 k = 0.4310 0.4081-0.0000 ( 3046 PWs) bands (ev): -41.4494 -41.4494 -20.4289 -20.4268 -19.9400 -19.9384 -19.9013 -19.9007 -4.5762 -4.5758 -3.8198 -3.8166 2.5885 2.5945 3.9962 4.0098 4.4237 4.4305 4.4727 4.4825 4.6073 4.6178 5.5912 5.6108 6.1858 6.3472 6.5452 6.5659 6.7080 6.7410 6.7951 6.9117 7.3690 7.4751 9.9628 9.9665 10.8838 10.8938 11.0235 11.0351 11.6137 11.6215 k = 0.4253 0.4181-0.0000 ( 3042 PWs) bands (ev): -41.4493 -41.4493 -20.4291 -20.4269 -19.9396 -19.9377 -19.9024 -19.9018 -4.5714 -4.5711 -3.8161 -3.8127 2.6091 2.6158 3.9511 3.9653 4.4356 4.4418 4.4774 4.4870 4.6086 4.6201 5.5426 5.5629 6.1775 6.3437 6.5397 6.5683 6.7122 6.7432 6.7953 6.9295 7.3796 7.4882 10.0065 10.0103 10.8673 10.8782 11.0089 11.0217 11.5727 11.5805 k = 0.4195 0.4280-0.0000 ( 3042 PWs) bands (ev): -41.4493 -41.4493 -20.4293 -20.4269 -19.9391 -19.9371 -19.9035 -19.9029 -4.5665 -4.5661 -3.8123 -3.8088 2.6312 2.6385 3.9041 3.9187 4.4477 4.4534 4.4825 4.4919 4.6098 4.6225 5.4940 5.5152 6.1703 6.3412 6.5340 6.5707 6.7121 6.7458 6.7998 6.9479 7.3886 7.4992 10.0495 10.0535 10.8512 10.8632 10.9947 11.0088 11.5339 11.5420 k = 0.4138 0.4380-0.0000 ( 3044 PWs) bands (ev): -41.4492 -41.4492 -20.4294 -20.4269 -19.9386 -19.9365 -19.9047 -19.9041 -4.5614 -4.5610 -3.8084 -3.8047 2.6547 2.6626 3.8553 3.8701 4.4594 4.4647 4.4885 4.4978 4.6111 4.6251 5.4459 5.4683 6.1640 6.3395 6.5284 6.5729 6.7098 6.7463 6.8090 6.9667 7.3958 7.5079 10.0912 10.0953 10.8360 10.8490 10.9814 10.9968 11.4974 11.5057 k = 0.4080 0.4479-0.0000 ( 3050 PWs) bands (ev): -41.4491 -41.4491 -20.4296 -20.4270 -19.9382 -19.9358 -19.9059 -19.9054 -4.5563 -4.5559 -3.8045 -3.8006 2.6795 2.6881 3.8052 3.8200 4.4701 4.4746 4.4963 4.5054 4.6123 4.6279 5.3986 5.4224 6.1585 6.3386 6.5228 6.5748 6.7066 6.7444 6.8220 6.9859 7.4010 7.5142 10.1311 10.1354 10.8219 10.8360 10.9692 10.9860 11.4630 11.4717 k = 0.4023 0.4579-0.0000 ( 3054 PWs) bands (ev): -41.4491 -41.4491 -20.4298 -20.4271 -19.9377 -19.9351 -19.9070 -19.9066 -4.5512 -4.5508 -3.8006 -3.7966 2.7055 2.7148 3.7541 3.7686 4.4790 4.4827 4.5061 4.5154 4.6134 4.6309 5.3525 5.3780 6.1538 6.3384 6.5175 6.5764 6.7032 6.7411 6.8373 7.0055 7.4043 7.5179 10.1687 10.1731 10.8091 10.8243 10.9586 10.9766 11.4306 11.4397 k = 0.3966 0.4679-0.0000 ( 3054 PWs) bands (ev): -41.4490 -41.4490 -20.4300 -20.4271 -19.9371 -19.9344 -19.9082 -19.9079 -4.5461 -4.5456 -3.7968 -3.7926 2.7326 2.7427 3.7023 3.7164 4.4860 4.4892 4.5174 4.5278 4.6147 4.6343 5.3078 5.3353 6.1499 6.3388 6.5124 6.5777 6.6999 6.7369 6.8538 7.0252 7.4055 7.5192 10.2035 10.2080 10.7980 10.8143 10.9498 10.9690 11.4002 11.4096 k = 0.3908 0.4778-0.0000 ( 3048 PWs) bands (ev): -41.4490 -41.4490 -20.4301 -20.4272 -19.9366 -19.9336 -19.9093 -19.9091 -4.5411 -4.5406 -3.7931 -3.7887 2.7608 2.7717 3.6503 3.6637 4.4917 4.4949 4.5292 4.5417 4.6161 4.6381 5.2648 5.2945 6.1466 6.3399 6.5076 6.5788 6.6968 6.7324 6.8710 7.0450 7.4049 7.5181 10.2352 10.2397 10.7885 10.8059 10.9430 10.9634 11.3717 11.3814 k = 0.3851 0.4878-0.0000 ( 3054 PWs) bands (ev): -41.4489 -41.4489 -20.4303 -20.4273 -19.9361 -19.9328 -19.9105 -19.9104 -4.5363 -4.5358 -3.7895 -3.7850 2.7898 2.8017 3.5984 3.6110 4.4968 4.5000 4.5406 4.5558 4.6181 4.6428 5.2239 5.2559 6.1438 6.3413 6.5030 6.5797 6.6940 6.7277 6.8882 7.0647 7.4024 7.5146 10.2635 10.2679 10.7809 10.7993 10.9383 10.9597 11.3450 11.3551 k = 0.3793 0.4977-0.0000 ( 3048 PWs) bands (ev): -41.4489 -41.4489 -20.4304 -20.4273 -19.9356 -19.9321 -19.9116 -19.9114 -4.5316 -4.5311 -3.7861 -3.7815 2.8196 2.8324 3.5471 3.5588 4.5018 4.5051 4.5508 4.5689 4.6214 4.6485 5.1851 5.2197 6.1416 6.3433 6.4988 6.5803 6.6916 6.7230 6.9052 7.0841 7.3985 7.5091 10.2881 10.2925 10.7752 10.7945 10.9357 10.9580 11.3203 11.3307 k = 0.3736 0.5077-0.0000 ( 3044 PWs) bands (ev): -41.4489 -41.4489 -20.4306 -20.4274 -19.9351 -19.9313 -19.9128 -19.9124 -4.5273 -4.5268 -3.7830 -3.7783 2.8498 2.8638 3.4970 3.5075 4.5068 4.5101 4.5592 4.5791 4.6274 4.6556 5.1489 5.1861 6.1398 6.3455 6.4948 6.5807 6.6897 6.7185 6.9216 7.1029 7.3933 7.5017 10.3091 10.3133 10.7713 10.7915 10.9349 10.9579 11.2976 11.3082 k = 0.3678 0.5176-0.0000 ( 3048 PWs) bands (ev): -41.4488 -41.4488 -20.4307 -20.4275 -19.9347 -19.9306 -19.9139 -19.9133 -4.5233 -4.5228 -3.7802 -3.7754 2.8801 2.8955 3.4486 3.4578 4.5118 4.5153 4.5652 4.5850 4.6369 4.6639 5.1155 5.1554 6.1384 6.3478 6.4912 6.5810 6.6882 6.7140 6.9370 7.1207 7.3874 7.4929 10.3265 10.3304 10.7692 10.7901 10.9356 10.9593 11.2771 11.2879 k = 0.3621 0.5276-0.0000 ( 3052 PWs) bands (ev): -41.4488 -41.4488 -20.4309 -20.4276 -19.9343 -19.9299 -19.9149 -19.9141 -4.5197 -4.5192 -3.7777 -3.7728 2.9101 2.9271 3.4027 3.4105 4.5171 4.5207 4.5688 4.5868 4.6491 4.6731 5.0854 5.1280 6.1374 6.3502 6.4879 6.5810 6.6874 6.7098 6.9510 7.1372 7.3812 7.4831 10.3403 10.3440 10.7686 10.7901 10.9375 10.9616 11.2591 11.2699 k = 0.3563 0.5375-0.0000 ( 3048 PWs) bands (ev): -41.4488 -41.4488 -20.4309 -20.4276 -19.9340 -19.9293 -19.9158 -19.9147 -4.5166 -4.5161 -3.7756 -3.7706 2.9389 2.9579 3.3602 3.3664 4.5225 4.5264 4.5700 4.5860 4.6623 4.6826 5.0591 5.1044 6.1368 6.3526 6.4851 6.5810 6.6872 6.7058 6.9633 7.1519 7.3752 7.4730 10.3510 10.3544 10.7691 10.7910 10.9400 10.9644 11.2438 11.2545 k = 0.3506 0.5475-0.0000 ( 3048 PWs) bands (ev): -41.4487 -41.4487 -20.4310 -20.4277 -19.9338 -19.9287 -19.9166 -19.9153 -4.5141 -4.5136 -3.7739 -3.7689 2.9653 2.9866 3.3224 3.3274 4.5281 4.5322 4.5692 4.5834 4.6746 4.6914 5.0374 5.0851 6.1363 6.3547 6.4828 6.5809 6.6876 6.7021 6.9733 7.1643 7.3700 7.4634 10.3588 10.3620 10.7703 10.7925 10.9427 10.9672 11.2316 11.2421 k = 0.3448 0.5574-0.0000 ( 3044 PWs) bands (ev): -41.4487 -41.4487 -20.4311 -20.4277 -19.9336 -19.9283 -19.9172 -19.9156 -4.5122 -4.5117 -3.7726 -3.7676 2.9874 3.0113 3.2911 3.2960 4.5336 4.5380 4.5669 4.5797 4.6846 4.6986 5.0210 5.0708 6.1361 6.3564 6.4810 6.5807 6.6886 6.6988 6.9806 7.1737 7.3659 7.4554 10.3640 10.3671 10.7716 10.7940 10.9450 10.9697 11.2227 11.2330 k = 0.3391 0.5674-0.0000 ( 3040 PWs) bands (ev): -41.4487 -41.4487 -20.4311 -20.4277 -19.9335 -19.9280 -19.9176 -19.9158 -4.5110 -4.5105 -3.7718 -3.7668 3.0024 3.0287 3.2694 3.2754 4.5385 4.5430 4.5638 4.5759 4.6913 4.7033 5.0107 5.0619 6.1360 6.3575 6.4800 6.5806 6.6902 6.6958 6.9851 7.1797 7.3633 7.4499 10.3671 10.3701 10.7726 10.7950 10.9466 10.9713 11.2173 11.2275 k = 0.3333 0.5774-0.0000 ( 3036 PWs) bands (ev): -41.4487 -41.4487 -20.4311 -20.4277 -19.9334 -19.9279 -19.9177 -19.9159 -4.5106 -4.5101 -3.7716 -3.7665 3.0077 3.0350 3.2616 3.2683 4.5409 4.5452 4.5620 4.5741 4.6936 4.7049 5.0073 5.0590 6.1360 6.3580 6.4796 6.5805 6.6917 6.6939 6.9866 7.1818 7.3624 7.4480 10.3680 10.3710 10.7730 10.7954 10.9472 10.9719 11.2155 11.2257 k = 0.3333 0.5774-0.0000 ( 3036 PWs) bands (ev): -41.4487 -41.4487 -20.4311 -20.4277 -19.9334 -19.9279 -19.9177 -19.9159 -4.5106 -4.5101 -3.7716 -3.7665 3.0077 3.0350 3.2616 3.2683 4.5409 4.5452 4.5620 4.5741 4.6936 4.7049 5.0073 5.0590 6.1360 6.3580 6.4796 6.5805 6.6917 6.6939 6.9866 7.1818 7.3624 7.4480 10.3680 10.3710 10.7730 10.7954 10.9472 10.9719 11.2155 11.2257 k = 0.3275 0.5672-0.0000 ( 3036 PWs) bands (ev): -41.4487 -41.4487 -20.4311 -20.4277 -19.9334 -19.9280 -19.9175 -19.9158 -4.5111 -4.5105 -3.7718 -3.7668 3.0026 3.0289 3.2694 3.2753 4.5380 4.5424 4.5644 4.5765 4.6912 4.7032 5.0108 5.0620 6.1360 6.3575 6.4800 6.5806 6.6901 6.6960 6.9852 7.1797 7.3635 7.4501 10.3670 10.3700 10.7726 10.7950 10.9466 10.9713 11.2173 11.2275 k = 0.3216 0.5571-0.0000 ( 3040 PWs) bands (ev): -41.4487 -41.4487 -20.4311 -20.4277 -19.9335 -19.9283 -19.9172 -19.9156 -4.5125 -4.5119 -3.7727 -3.7677 2.9893 3.0134 3.2897 3.2946 4.5305 4.5348 4.5700 4.5828 4.6847 4.6983 5.0209 5.0708 6.1360 6.3561 6.4812 6.5809 6.6880 6.6993 6.9813 7.1734 7.3668 7.4561 10.3640 10.3671 10.7715 10.7941 10.9446 10.9693 11.2223 11.2327 k = 0.3158 0.5470-0.0000 ( 3052 PWs) bands (ev): -41.4487 -41.4487 -20.4310 -20.4277 -19.9337 -19.9286 -19.9167 -19.9153 -4.5149 -4.5144 -3.7741 -3.7691 2.9715 2.9932 3.3179 3.3227 4.5204 4.5241 4.5768 4.5911 4.6750 4.6910 5.0366 5.0846 6.1358 6.3536 6.4832 6.5813 6.6860 6.7031 6.9756 7.1636 7.3727 7.4655 10.3588 10.3620 10.7700 10.7928 10.9415 10.9662 11.2299 11.2408 k = 0.3099 0.5368-0.0000 ( 3052 PWs) bands (ev): -41.4488 -41.4488 -20.4309 -20.4276 -19.9338 -19.9290 -19.9160 -19.9149 -4.5185 -4.5179 -3.7760 -3.7711 2.9523 2.9718 3.3506 3.3564 4.5084 4.5113 4.5837 4.6002 4.6633 4.6825 5.0568 5.1027 6.1356 6.3503 6.4859 6.5818 6.6842 6.7073 6.9690 7.1511 7.3811 7.4775 10.3514 10.3547 10.7685 10.7917 10.9375 10.9622 11.2397 11.2509 k = 0.3041 0.5267-0.0000 ( 3064 PWs) bands (ev): -41.4488 -41.4488 -20.4308 -20.4275 -19.9340 -19.9294 -19.9153 -19.9144 -4.5232 -4.5226 -3.7785 -3.7736 2.9337 2.9514 3.3863 3.3935 4.4946 4.4966 4.5894 4.6092 4.6515 4.6746 5.0804 5.1243 6.1352 6.3461 6.4891 6.5824 6.6825 6.7118 6.9624 7.1368 7.3918 7.4915 10.3414 10.3450 10.7674 10.7910 10.9329 10.9575 11.2507 11.2622 k = 0.2982 0.5166-0.0000 ( 3064 PWs) bands (ev): -41.4489 -41.4489 -20.4306 -20.4273 -19.9341 -19.9298 -19.9144 -19.9137 -4.5292 -4.5286 -3.7816 -3.7767 2.9168 2.9330 3.4240 3.4326 4.4789 4.4799 4.5925 4.6148 4.6432 4.6694 5.1067 5.1485 6.1346 6.3412 6.4929 6.5830 6.6809 6.7166 6.9569 7.1217 7.4045 7.5068 10.3290 10.3328 10.7668 10.7907 10.9283 10.9528 11.2622 11.2739 k = 0.2924 0.5064-0.0000 ( 3066 PWs) bands (ev): -41.4489 -41.4489 -20.4303 -20.4271 -19.9341 -19.9302 -19.9136 -19.9130 -4.5364 -4.5358 -3.7851 -3.7803 2.9024 2.9173 3.4629 3.4729 4.4611 4.4613 4.5916 4.6108 4.6452 4.6692 5.1350 5.1748 6.1339 6.3358 6.4969 6.5834 6.6794 6.7215 6.9530 7.1066 7.4188 7.5232 10.3141 10.3182 10.7666 10.7906 10.9244 10.9484 11.2735 11.2852 k = 0.2865 0.4963-0.0000 ( 3066 PWs) bands (ev): -41.4490 -41.4490 -20.4300 -20.4269 -19.9342 -19.9304 -19.9126 -19.9123 -4.5451 -4.5444 -3.7891 -3.7844 2.8910 2.9048 3.5025 3.5139 4.4401 4.4414 4.5869 4.6008 4.6547 4.6744 5.1648 5.2028 6.1331 6.3300 6.5011 6.5835 6.6780 6.7266 6.9516 7.0923 7.4344 7.5403 10.2969 10.3014 10.7664 10.7899 10.9223 10.9453 11.2839 11.2953 k = 0.2807 0.4862-0.0000 ( 3062 PWs) bands (ev): -41.4491 -41.4491 -20.4297 -20.4266 -19.9341 -19.9306 -19.9117 -19.9114 -4.5551 -4.5544 -3.7936 -3.7889 2.8829 2.8958 3.5425 3.5552 4.4168 4.4190 4.5800 4.5901 4.6667 4.6839 5.1957 5.2319 6.1322 6.3239 6.5051 6.5831 6.6770 6.7318 6.9530 7.0795 7.4512 7.5580 10.2778 10.2825 10.7656 10.7878 10.9226 10.9439 11.2927 11.3037 k = 0.2749 0.4761-0.0000 ( 3068 PWs) bands (ev): -41.4492 -41.4492 -20.4293 -20.4263 -19.9341 -19.9308 -19.9108 -19.9105 -4.5666 -4.5659 -3.7985 -3.7938 2.8783 2.8903 3.5825 3.5964 4.3912 4.3942 4.5728 4.5806 4.6799 4.6961 5.2272 5.2618 6.1312 6.3177 6.5084 6.5823 6.6766 6.7371 6.9573 7.0686 7.4689 7.5761 10.2570 10.2620 10.7634 10.7837 10.9262 10.9451 11.2994 11.3097 k = 0.2690 0.4659-0.0000 ( 3064 PWs) bands (ev): -41.4493 -41.4493 -20.4289 -20.4259 -19.9339 -19.9308 -19.9099 -19.9095 -4.5795 -4.5787 -3.8037 -3.7991 2.8772 2.8886 3.6221 3.6374 4.3634 4.3669 4.5665 4.5728 4.6939 4.7103 5.2592 5.2923 6.1303 6.3117 6.5108 6.5815 6.6771 6.7427 6.9645 7.0605 7.4875 7.5946 10.2350 10.2402 10.7593 10.7770 10.9331 10.9492 11.3036 11.3130 k = 0.2632 0.4558-0.0000 ( 3064 PWs) bands (ev): -41.4494 -41.4494 -20.4284 -20.4255 -19.9336 -19.9308 -19.9090 -19.9085 -4.5938 -4.5930 -3.8093 -3.8047 2.8798 2.8906 3.6610 3.6776 4.3337 4.3373 4.5617 4.5670 4.7088 4.7256 5.2914 5.3231 6.1293 6.3059 6.5117 6.5811 6.6786 6.7485 6.9744 7.0554 7.5070 7.6136 10.2123 10.2176 10.7528 10.7679 10.9430 10.9563 11.3047 11.3132 k = 0.2573 0.4457-0.0000 ( 3064 PWs) bands (ev): -41.4495 -41.4495 -20.4278 -20.4251 -19.9333 -19.9307 -19.9081 -19.9075 -4.6097 -4.6088 -3.8152 -3.8106 2.8861 2.8963 3.6988 3.7167 4.3024 4.3060 4.5588 4.5635 4.7244 4.7420 5.3235 5.3539 6.1286 6.3005 6.5106 6.5815 6.6811 6.7546 6.9866 7.0541 7.5272 7.6329 10.1892 10.1946 10.7441 10.7567 10.9553 10.9660 11.3027 11.3101 k = 0.2515 0.4355-0.0000 ( 3064 PWs) bands (ev): -41.4497 -41.4497 -20.4272 -20.4246 -19.9330 -19.9305 -19.9072 -19.9065 -4.6270 -4.6261 -3.8213 -3.8167 2.8960 2.9058 3.7347 3.7540 4.2700 4.2733 4.5579 4.5622 4.7406 4.7591 5.3553 5.3845 6.1280 6.2955 6.5077 6.5831 6.6846 6.7610 7.0005 7.0570 7.5482 7.6527 10.1661 10.1716 10.7333 10.7439 10.9692 10.9777 11.2973 11.3035 k = 0.2456 0.4254-0.0000 ( 3064 PWs) bands (ev): -41.4498 -41.4498 -20.4266 -20.4240 -19.9325 -19.9302 -19.9063 -19.9054 -4.6457 -4.6448 -3.8277 -3.8231 2.9095 2.9190 3.7682 3.7888 4.2374 4.2404 4.5594 4.5633 4.7575 4.7770 5.3867 5.4148 6.1276 6.2910 6.5032 6.5857 6.6893 6.7680 7.0156 7.0647 7.5701 7.6729 10.1433 10.1488 10.7207 10.7296 10.9841 10.9910 11.2884 11.2934 k = 0.2398 0.4153-0.0000 ( 3062 PWs) bands (ev): -41.4500 -41.4500 -20.4259 -20.4234 -19.9320 -19.9298 -19.9053 -19.9044 -4.6659 -4.6649 -3.8342 -3.8296 2.9265 2.9358 3.7979 3.8197 4.2058 4.2083 4.5631 4.5668 4.7749 4.7955 5.4175 5.4447 6.1275 6.2872 6.4977 6.5888 6.6950 6.7755 7.0315 7.0775 7.5927 7.6936 10.1211 10.1267 10.7068 10.7143 10.9995 11.0051 11.2759 11.2798 k = 0.2339 0.4052-0.0000 ( 3058 PWs) bands (ev): -41.4501 -41.4501 -20.4252 -20.4227 -19.9314 -19.9293 -19.9043 -19.9033 -4.6874 -4.6863 -3.8408 -3.8363 2.9470 2.9561 3.8220 3.8448 4.1769 4.1791 4.5693 4.5728 4.7930 4.8147 5.4475 5.4738 6.1278 6.2841 6.4920 6.5921 6.7018 6.7838 7.0483 7.0950 7.6161 7.7148 10.0999 10.1055 10.6917 10.6982 11.0149 11.0195 11.2600 11.2628 k = 0.2281 0.3950-0.0000 ( 3050 PWs) bands (ev): -41.4503 -41.4503 -20.4244 -20.4220 -19.9308 -19.9288 -19.9033 -19.9022 -4.7101 -4.7090 -3.8476 -3.8430 2.9707 2.9798 3.8383 3.8612 4.1533 4.1559 4.5778 4.5813 4.8117 4.8344 5.4765 5.5023 6.1285 6.2815 6.4863 6.5952 6.7099 6.7929 7.0664 7.1165 7.6404 7.7366 10.0799 10.0854 10.6756 10.6814 11.0298 11.0338 11.2408 11.2427 k = 0.2222 0.3849-0.0000 ( 3038 PWs) bands (ev): -41.4505 -41.4505 -20.4235 -20.4213 -19.9300 -19.9281 -19.9022 -19.9011 -4.7341 -4.7330 -3.8545 -3.8498 2.9976 3.0068 3.8435 3.8654 4.1377 4.1423 4.5887 4.5922 4.8309 4.8549 5.5044 5.5298 6.1295 6.2796 6.4813 6.5981 6.7195 6.8031 7.0864 7.1412 7.6656 7.7591 10.0611 10.0665 10.6589 10.6640 11.0439 11.0474 11.2187 11.2199 k = 0.2164 0.3748-0.0000 ( 3048 PWs) bands (ev): -41.4507 -41.4507 -20.4227 -20.4205 -19.9293 -19.9274 -19.9012 -19.9000 -4.7592 -4.7580 -3.8614 -3.8568 3.0274 3.0368 3.8359 3.8555 4.1323 4.1401 4.6020 4.6055 4.8508 4.8759 5.5311 5.5564 6.1309 6.2782 6.4771 6.6004 6.7303 6.8142 7.1085 7.1684 7.6917 7.7821 10.0439 10.0491 10.6415 10.6461 11.0563 11.0597 11.1942 11.1953 k = 0.2105 0.3646-0.0000 ( 3048 PWs) bands (ev): -41.4509 -41.4509 -20.4218 -20.4197 -19.9285 -19.9267 -19.9001 -19.8989 -4.7853 -4.7841 -3.8684 -3.8637 3.0601 3.0697 3.8157 3.8325 4.1369 4.1483 4.6175 4.6212 4.8714 4.8978 5.5565 5.5820 6.1327 6.2772 6.4739 6.6024 6.7428 6.8264 7.1331 7.1976 7.7187 7.8059 10.0282 10.0333 10.6236 10.6278 11.0658 11.0692 11.1691 11.1704 k = 0.2047 0.3545-0.0000 ( 3048 PWs) bands (ev): -41.4511 -41.4511 -20.4209 -20.4188 -19.9277 -19.9258 -19.8990 -19.8977 -4.8123 -4.8111 -3.8754 -3.8707 3.0953 3.1054 3.7858 3.7999 4.1489 4.1636 4.6352 4.6391 4.8928 4.9205 5.5806 5.6064 6.1349 6.2767 6.4720 6.6040 6.7569 6.8398 7.1600 7.2286 7.7466 7.8304 10.0142 10.0192 10.6053 10.6092 11.0684 11.0720 11.1480 11.1489 k = 0.1988 0.3444-0.0000 ( 3048 PWs) bands (ev): -41.4513 -41.4513 -20.4199 -20.4179 -19.9268 -19.9250 -19.8979 -19.8966 -4.8402 -4.8390 -3.8824 -3.8777 3.1329 3.1435 3.7493 3.7610 4.1655 4.1830 4.6547 4.6589 4.9151 4.9441 5.6033 5.6298 6.1376 6.2765 6.4713 6.6052 6.7728 6.8544 7.1892 7.2612 7.7754 7.8556 10.0019 10.0067 10.5865 10.5902 11.0568 11.0611 11.1380 11.1385 k = 0.1930 0.3343-0.0000 ( 3052 PWs) bands (ev): -41.4516 -41.4516 -20.4189 -20.4170 -19.9259 -19.9241 -19.8968 -19.8954 -4.8688 -4.8676 -3.8894 -3.8847 3.1725 3.1838 3.7085 3.7182 4.1843 4.2040 4.6758 4.6804 4.9384 4.9689 5.6246 5.6520 6.1407 6.2765 6.4719 6.6061 6.7905 6.8705 7.2205 7.2952 7.8051 7.8815 9.9913 9.9960 10.5675 10.5709 11.0305 11.0355 11.1395 11.1410 k = 0.1871 0.3241-0.0000 ( 3056 PWs) bands (ev): -41.4518 -41.4518 -20.4179 -20.4161 -19.9250 -19.9231 -19.8956 -19.8942 -4.8980 -4.8967 -3.8964 -3.8917 3.2136 3.2260 3.6654 3.6732 4.2041 4.2256 4.6982 4.7033 4.9629 4.9950 5.6445 5.6731 6.1443 6.2769 6.4735 6.6068 6.8101 6.8881 7.2538 7.3305 7.8356 7.9082 9.9825 9.9869 10.5481 10.5513 10.9963 11.0020 11.1471 11.1493 k = 0.1813 0.3140-0.0000 ( 3054 PWs) bands (ev): -41.4520 -41.4520 -20.4169 -20.4151 -19.9240 -19.9222 -19.8944 -19.8930 -4.9276 -4.9264 -3.9034 -3.8987 3.2558 3.2695 3.6214 3.6273 4.2239 4.2469 4.7214 4.7271 4.9887 5.0224 5.6632 5.6930 6.1484 6.2775 6.4762 6.6072 6.8318 6.9073 7.2890 7.3669 7.8669 7.9355 9.9754 9.9796 10.5284 10.5315 10.9582 10.9645 11.1571 11.1596 k = 0.1754 0.3039-0.0000 ( 3060 PWs) bands (ev): -41.4523 -41.4523 -20.4158 -20.4142 -19.9231 -19.9212 -19.8931 -19.8918 -4.9576 -4.9564 -3.9104 -3.9056 3.2976 3.3135 3.5782 3.5818 4.2434 4.2674 4.7451 4.7514 5.0159 5.0515 5.6805 5.7118 6.1531 6.2783 6.4797 6.6073 6.8558 6.9284 7.3258 7.4043 7.8989 7.9634 9.9698 9.9738 10.5083 10.5115 10.9180 10.9248 11.1680 11.1709 k = 0.1696 0.2937-0.0000 ( 3062 PWs) bands (ev): -41.4525 -41.4525 -20.4148 -20.4132 -19.9221 -19.9202 -19.8918 -19.8905 -4.9879 -4.9866 -3.9173 -3.9125 3.3363 3.3554 3.5385 3.5399 4.2621 4.2870 4.7688 4.7759 5.0448 5.0823 5.6966 5.7295 6.1583 6.2795 6.4838 6.6070 6.8820 6.9515 7.3643 7.4427 7.9315 7.9919 9.9658 9.9696 10.4880 10.4912 10.8764 10.8837 11.1795 11.1826 k = 0.1637 0.2836-0.0000 ( 3062 PWs) bands (ev): -41.4528 -41.4528 -20.4137 -20.4121 -19.9212 -19.9193 -19.8904 -19.8892 -5.0183 -5.0170 -3.9241 -3.9194 3.3635 3.3872 3.5079 3.5131 4.2801 4.3055 4.7922 4.8000 5.0753 5.1148 5.7116 5.7462 6.1642 6.2811 6.4883 6.6064 6.9108 6.9768 7.4041 7.4820 7.9646 8.0208 9.9632 9.9668 10.4673 10.4707 10.8341 10.8418 11.1913 11.1947 k = 0.1579 0.2735-0.0000 ( 3052 PWs) bands (ev): -41.4530 -41.4530 -20.4126 -20.4111 -19.9202 -19.9183 -19.8890 -19.8878 -5.0487 -5.0474 -3.9309 -3.9262 3.3636 3.3867 3.5103 3.5151 4.2971 4.3230 4.8151 4.8234 5.1076 5.1492 5.7256 5.7618 6.1707 6.2831 6.4929 6.6054 6.9422 7.0045 7.4453 7.5221 7.9980 8.0501 9.9619 9.9653 10.4463 10.4500 10.7914 10.7994 11.2035 11.2071 k = 0.1520 0.2634-0.0000 ( 3048 PWs) bands (ev): -41.4533 -41.4533 -20.4115 -20.4101 -19.9192 -19.9173 -19.8876 -19.8864 -5.0789 -5.0777 -3.9376 -3.9330 3.3367 3.3549 3.5444 3.5460 4.3131 4.3392 4.8373 4.8459 5.1417 5.1852 5.7386 5.7765 6.1778 6.2856 6.4974 6.6040 6.9762 7.0348 7.4876 7.5629 8.0315 8.0795 9.9616 9.9650 10.4250 10.4291 10.7486 10.7569 11.2159 11.2197 k = 0.1462 0.2532-0.0000 ( 3044 PWs) bands (ev): -41.4536 -41.4536 -20.4105 -20.4090 -19.9183 -19.9164 -19.8861 -19.8849 -5.1090 -5.1078 -3.9442 -3.9396 3.2983 3.3131 3.5878 3.5918 4.3282 4.3543 4.8584 4.8673 5.1773 5.2229 5.7508 5.7902 6.1856 6.2886 6.5016 6.6021 7.0131 7.0678 7.5310 7.6044 8.0650 8.1089 9.9623 9.9657 10.4033 10.4078 10.7061 10.7146 11.2285 11.2325 k = 0.1404 0.2431-0.0000 ( 3048 PWs) bands (ev): -41.4538 -41.4538 -20.4094 -20.4080 -19.9174 -19.9156 -19.8845 -19.8835 -5.1388 -5.1376 -3.9508 -3.9462 3.2562 3.2689 3.6356 3.6416 4.3423 4.3682 4.8785 4.8874 5.2143 5.2619 5.7621 5.8030 6.1941 6.2922 6.5055 6.5998 7.0527 7.1037 7.5753 7.6465 8.0980 8.1380 9.9638 9.9672 10.3812 10.3863 10.6642 10.6728 11.2412 11.2455 k = 0.1345 0.2330-0.0000 ( 3044 PWs) bands (ev): -41.4541 -41.4541 -20.4084 -20.4070 -19.9165 -19.9147 -19.8830 -19.8820 -5.1681 -5.1669 -3.9572 -3.9527 3.2130 3.2243 3.6855 3.6928 4.3553 4.3810 4.8975 4.9062 5.2525 5.3021 5.7727 5.8149 6.2033 6.2965 6.5088 6.5971 7.0953 7.1425 7.6204 7.6892 8.1306 8.1667 9.9659 9.9695 10.3588 10.3645 10.6230 10.6317 11.2540 11.2583 k = 0.1287 0.2228-0.0000 ( 3044 PWs) bands (ev): -41.4543 -41.4543 -20.4073 -20.4060 -19.9157 -19.9140 -19.8814 -19.8805 -5.1969 -5.1958 -3.9634 -3.9591 3.1700 3.1802 3.7364 3.7446 4.3674 4.3927 4.9154 4.9238 5.2916 5.3431 5.7827 5.8260 6.2132 6.3015 6.5116 6.5939 7.1408 7.1844 7.6661 7.7323 8.1622 8.1946 9.9685 9.9723 10.3361 10.3424 10.5829 10.5916 11.2664 11.2710 k = 0.1228 0.2127-0.0000 ( 3044 PWs) bands (ev): -41.4546 -41.4546 -20.4063 -20.4051 -19.9149 -19.9132 -19.8797 -19.8789 -5.2250 -5.2240 -3.9696 -3.9653 3.1276 3.1370 3.7875 3.7965 4.3785 4.4032 4.9322 4.9402 5.3314 5.3847 5.7922 5.8362 6.2239 6.3072 6.5137 6.5903 7.1893 7.2295 7.7125 7.7759 8.1926 8.2215 9.9714 9.9755 10.3131 10.3200 10.5439 10.5526 11.2784 11.2831 k = 0.1170 0.2026-0.0000 ( 3056 PWs) bands (ev): -41.4548 -41.4548 -20.4054 -20.4042 -19.9142 -19.9126 -19.8781 -19.8774 -5.2525 -5.2515 -3.9756 -3.9714 3.0862 3.0949 3.8384 3.8479 4.3886 4.4127 4.9478 4.9554 5.3715 5.4265 5.8010 5.8457 6.2351 6.3136 6.5152 6.5863 7.2408 7.2777 7.7592 7.8197 8.2216 8.2471 9.9745 9.9790 10.2898 10.2975 10.5063 10.5149 11.2895 11.2943 k = 0.1111 0.1925-0.0000 ( 3060 PWs) bands (ev): -41.4551 -41.4551 -20.4044 -20.4033 -19.9135 -19.9120 -19.8765 -19.8758 -5.2792 -5.2782 -3.9814 -3.9773 3.0461 3.0541 3.8888 3.8988 4.3978 4.4211 4.9624 4.9695 5.4116 5.4682 5.8095 5.8545 6.2471 6.3209 6.5162 6.5821 7.2952 7.3290 7.8063 7.8638 8.2487 8.2710 9.9776 9.9825 10.2665 10.2749 10.4701 10.4785 11.2991 11.3041 k = 0.1053 0.1823-0.0000 ( 3056 PWs) bands (ev): -41.4553 -41.4553 -20.4035 -20.4024 -19.9128 -19.9114 -19.8748 -19.8743 -5.3050 -5.3040 -3.9870 -3.9831 3.0074 3.0149 3.9385 3.9487 4.4062 4.4286 4.9759 4.9825 5.4514 5.5095 5.8176 5.8626 6.2598 6.3289 6.5166 6.5775 7.3525 7.3834 7.8535 7.9080 8.2737 8.2931 9.9806 9.9860 10.2433 10.2524 10.4353 10.4436 11.3066 11.3117 k = 0.0994 0.1722-0.0000 ( 3056 PWs) bands (ev): -41.4555 -41.4555 -20.4026 -20.4015 -19.9122 -19.9108 -19.8732 -19.8727 -5.3298 -5.3289 -3.9924 -3.9886 2.9702 2.9772 3.9871 3.9975 4.4137 4.4352 4.9883 4.9946 5.4907 5.5499 5.8253 5.8700 6.2731 6.3377 6.5165 6.5728 7.4125 7.4408 7.9007 7.9521 8.2964 8.3130 9.9833 9.9894 10.2205 10.2303 10.4019 10.4100 11.3113 11.3166 k = 0.0936 0.1621-0.0000 ( 3058 PWs) bands (ev): -41.4557 -41.4557 -20.4018 -20.4007 -19.9117 -19.9104 -19.8716 -19.8712 -5.3536 -5.3527 -3.9976 -3.9940 2.9347 2.9412 4.0345 4.0449 4.4204 4.4408 4.9997 5.0056 5.5291 5.5891 5.8326 5.8767 6.2870 6.3472 6.5160 6.5679 7.4752 7.5010 7.9476 7.9960 8.3164 8.3305 9.9856 9.9923 10.1982 10.2088 10.3698 10.3776 11.3124 11.3178 k = 0.0877 0.1519-0.0000 ( 3056 PWs) bands (ev): -41.4560 -41.4560 -20.4009 -20.4000 -19.9111 -19.9099 -19.8700 -19.8696 -5.3762 -5.3754 -4.0026 -3.9991 2.9009 2.9070 4.0803 4.0907 4.4263 4.4457 5.0101 5.0158 5.5664 5.6268 5.8397 5.8829 6.3015 6.3574 6.5152 6.5629 7.5404 7.5639 7.9941 8.0394 8.3335 8.3454 9.9874 9.9948 10.1768 10.1881 10.3388 10.3465 11.3093 11.3148 k = 0.0819 0.1418-0.0000 ( 3046 PWs) bands (ev): -41.4562 -41.4562 -20.4001 -20.3992 -19.9106 -19.9095 -19.8684 -19.8681 -5.3978 -5.3970 -4.0073 -4.0040 2.8690 2.8746 4.1245 4.1347 4.4316 4.4499 5.0195 5.0251 5.6023 5.6627 5.8466 5.8884 6.3166 6.3682 6.5142 6.5579 7.6077 7.6291 8.0398 8.0821 8.3477 8.3578 9.9884 9.9967 10.1565 10.1686 10.3089 10.3165 11.3020 11.3074 k = 0.0760 0.1317-0.0000 ( 3042 PWs) bands (ev): -41.4563 -41.4563 -20.3994 -20.3985 -19.9102 -19.9091 -19.8669 -19.8667 -5.4181 -5.4173 -4.0118 -4.0087 2.8390 2.8442 4.1667 4.1766 4.4363 4.4533 5.0281 5.0335 5.6366 5.6963 5.8533 5.8935 6.3321 6.3796 6.5131 6.5530 7.6768 7.6962 8.0846 8.1239 8.3588 8.3675 9.9887 9.9979 10.1377 10.1505 10.2799 10.2873 11.2905 11.2959 k = 0.0702 0.1215-0.0000 ( 3038 PWs) bands (ev): -41.4565 -41.4565 -20.3987 -20.3979 -19.9097 -19.9088 -19.8655 -19.8653 -5.4371 -5.4364 -4.0160 -4.0131 2.8111 2.8158 4.2068 4.2163 4.4403 4.4561 5.0357 5.0411 5.6690 5.7273 5.8599 5.8980 6.3480 6.3913 6.5119 6.5482 7.7472 7.7648 8.1281 8.1644 8.3669 8.3747 9.9882 9.9983 10.1204 10.1339 10.2517 10.2589 11.2754 11.2806 k = 0.0643 0.1114-0.0000 ( 3038 PWs) bands (ev): -41.4567 -41.4567 -20.3980 -20.3973 -19.9094 -19.9085 -19.8642 -19.8640 -5.4547 -5.4541 -4.0199 -4.0172 2.7851 2.7894 4.2446 4.2536 4.4439 4.4584 5.0426 5.0479 5.6993 5.7554 5.8666 5.9021 6.3642 6.4031 6.5108 6.5436 7.8183 7.8343 8.1700 8.2034 8.3721 8.3798 9.9870 9.9980 10.1047 10.1188 10.2242 10.2313 11.2569 11.2617 k = 0.0585 0.1013-0.0000 ( 3030 PWs) bands (ev): -41.4569 -41.4569 -20.3974 -20.3967 -19.9090 -19.9082 -19.8629 -19.8628 -5.4710 -5.4705 -4.0234 -4.0210 2.7613 2.7652 4.2799 4.2884 4.4469 4.4603 5.0487 5.0539 5.7273 5.7802 5.8735 5.9058 6.3804 6.4149 6.5099 6.5393 7.8893 7.9040 8.2100 8.2406 8.3748 8.3830 9.9852 9.9971 10.0905 10.1051 10.1973 10.2044 11.2346 11.2390 k = 0.0526 0.0912-0.0000 ( 3030 PWs) bands (ev): -41.4570 -41.4570 -20.3969 -20.3962 -19.9087 -19.9079 -19.8617 -19.8616 -5.4859 -5.4854 -4.0267 -4.0245 2.7396 2.7431 4.3124 4.3203 4.4496 4.4617 5.0540 5.0591 5.7529 5.8015 5.8808 5.9093 6.3963 6.4261 6.5094 6.5355 7.9593 7.9728 8.2477 8.2755 8.3756 8.3848 9.9832 9.9959 10.0777 10.0923 10.1713 10.1783 11.2080 11.2120 k = 0.0468 0.0810-0.0000 ( 3024 PWs) bands (ev): -41.4571 -41.4571 -20.3964 -20.3958 -19.9084 -19.9077 -19.8606 -19.8606 -5.4993 -5.4988 -4.0297 -4.0276 2.7201 2.7232 4.3421 4.3493 4.4520 4.4627 5.0587 5.0636 5.7758 5.8189 5.8886 5.9125 6.4119 6.4367 6.5092 6.5322 8.0269 8.0397 8.2828 8.3078 8.3752 8.3858 9.9811 9.9945 10.0659 10.0802 10.1463 10.1533 11.1767 11.1803 k = 0.0409 0.0709-0.0000 ( 3012 PWs) bands (ev): -41.4572 -41.4572 -20.3959 -20.3954 -19.9081 -19.9075 -19.8597 -19.8596 -5.5112 -5.5108 -4.0323 -4.0305 2.7029 2.7056 4.3688 4.3752 4.4542 4.4636 5.0628 5.0673 5.7961 5.8326 5.8969 5.9156 6.4264 6.4461 6.5098 6.5298 8.0906 8.1031 8.3147 8.3370 8.3746 8.3870 9.9795 9.9933 10.0547 10.0679 10.1228 10.1298 11.1409 11.1442 k = 0.0351 0.0608-0.0000 ( 3012 PWs) bands (ev): -41.4573 -41.4573 -20.3955 -20.3950 -19.9079 -19.9074 -19.8588 -19.8588 -5.5216 -5.5212 -4.0345 -4.0330 2.6879 2.6902 4.3921 4.3977 4.4561 4.4642 5.0663 5.0704 5.8135 5.8430 5.9052 5.9187 6.4396 6.4540 6.5109 6.5282 8.1480 8.1610 8.3431 8.3620 8.3760 8.3897 9.9783 9.9925 10.0436 10.0549 10.1013 10.1085 11.1022 11.1052 k = 0.0292 0.0506-0.0000 ( 3018 PWs) bands (ev): -41.4574 -41.4574 -20.3952 -20.3948 -19.9077 -19.9073 -19.8581 -19.8581 -5.5304 -5.5301 -4.0364 -4.0351 2.6751 2.6771 4.4120 4.4166 4.4581 4.4647 5.0693 5.0729 5.8279 5.8505 5.9131 5.9217 6.4508 6.4602 6.5127 6.5275 8.1966 8.2102 8.3671 8.3760 8.3883 8.3957 9.9780 9.9923 10.0323 10.0408 10.0825 10.0902 11.0630 11.0656 k = 0.0234 0.0405-0.0000 ( 3018 PWs) bands (ev): -41.4575 -41.4575 -20.3949 -20.3946 -19.9076 -19.9072 -19.8575 -19.8575 -5.5376 -5.5374 -4.0380 -4.0369 2.6648 2.6663 4.4282 4.4317 4.4602 4.4653 5.0717 5.0747 5.8395 5.8558 5.9200 5.9247 6.4597 6.4650 6.5152 6.5277 8.2339 8.2474 8.3838 8.3896 8.4045 8.4072 9.9786 9.9925 10.0208 10.0261 10.0669 10.0755 11.0263 11.0286 k = 0.0175 0.0304-0.0000 ( 3020 PWs) bands (ev): -41.4576 -41.4576 -20.3946 -20.3944 -19.9074 -19.9072 -19.8570 -19.8570 -5.5432 -5.5431 -4.0392 -4.0384 2.6567 2.6579 4.4404 4.4426 4.4629 4.4663 5.0737 5.0760 5.8484 5.8594 5.9254 5.9275 6.4660 6.4683 6.5182 6.5282 8.2589 8.2703 8.3994 8.4069 8.4175 8.4209 9.9799 9.9929 10.0096 10.0125 10.0550 10.0638 10.9949 10.9967 k = 0.0117 0.0203-0.0000 ( 3020 PWs) bands (ev): -41.4576 -41.4576 -20.3945 -20.3943 -19.9073 -19.9072 -19.8567 -19.8567 -5.5473 -5.5472 -4.0400 -4.0394 2.6510 2.6518 4.4482 4.4491 4.4661 4.4678 5.0752 5.0768 5.8548 5.8615 5.9293 5.9299 6.4699 6.4706 6.5216 6.5286 8.2736 8.2815 8.4167 8.4218 8.4288 8.4310 9.9816 9.9926 10.0001 10.0020 10.0473 10.0547 10.9710 10.9723 k = 0.0058 0.0101-0.0000 ( 3021 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8565 -19.8565 -5.5497 -5.5496 -4.0404 -4.0401 2.6476 2.6480 4.4521 4.4523 4.4689 4.4694 5.0763 5.0771 5.8590 5.8621 5.9315 5.9316 6.4719 6.4719 6.5246 6.5283 8.2815 8.2854 8.4304 8.4318 8.4363 8.4371 9.9834 9.9892 9.9957 9.9963 10.0437 10.0481 10.9562 10.9568 k = 0.0000 0.0000 0.0000 ( 3015 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8564 -19.8564 -5.5505 -5.5505 -4.0405 -4.0405 2.6466 2.6466 4.4532 4.4532 4.4701 4.4701 5.0769 5.0769 5.8614 5.8614 5.9322 5.9322 6.4724 6.4724 6.5270 6.5270 8.2852 8.2852 8.4355 8.4355 8.4389 8.4389 9.9854 9.9854 9.9949 9.9949 10.0442 10.0442 10.9513 10.9513 k = 0.0000 0.0000 0.0000 ( 3015 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8564 -19.8564 -5.5505 -5.5505 -4.0405 -4.0405 2.6466 2.6466 4.4532 4.4532 4.4701 4.4701 5.0769 5.0769 5.8614 5.8614 5.9322 5.9322 6.4724 6.4724 6.5270 6.5270 8.2852 8.2852 8.4355 8.4355 8.4389 8.4389 9.9854 9.9854 9.9949 9.9949 10.0442 10.0442 10.9513 10.9513 k = 0.0000 0.0000 0.0118 ( 3015 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8564 -19.8564 -5.5499 -5.5499 -4.0415 -4.0415 2.6489 2.6489 4.4526 4.4535 4.4699 4.4699 5.0760 5.0760 5.8618 5.8618 5.9271 5.9378 6.4669 6.4796 6.5274 6.5274 8.2786 8.2786 8.4318 8.4357 8.4372 8.4372 9.9852 9.9852 9.9943 9.9947 10.0473 10.0473 10.9559 10.9559 k = 0.0000 0.0000 0.0235 ( 3015 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8564 -19.8564 -5.5481 -5.5481 -4.0446 -4.0446 2.6555 2.6555 4.4515 4.4534 4.4692 4.4692 5.0734 5.0734 5.8632 5.8632 5.9225 5.9436 6.4630 6.4883 6.5288 6.5288 8.2594 8.2594 8.4246 8.4322 8.4322 8.4323 9.9846 9.9846 9.9930 9.9937 10.0565 10.0565 10.9697 10.9697 k = 0.0000 0.0000 0.0353 ( 3021 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8564 -19.8564 -5.5452 -5.5452 -4.0497 -4.0497 2.6664 2.6664 4.4501 4.4529 4.4680 4.4680 5.0688 5.0688 5.8654 5.8654 5.9184 5.9496 6.4610 6.4984 6.5311 6.5311 8.2285 8.2285 8.4140 8.4240 8.4240 8.4255 9.9835 9.9835 9.9911 9.9921 10.0709 10.0709 10.9925 10.9925 k = 0.0000 0.0000 0.0471 ( 3021 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8564 -19.8564 -5.5412 -5.5412 -4.0568 -4.0568 2.6817 2.6817 4.4484 4.4520 4.4665 4.4665 5.0625 5.0625 5.8684 5.8684 5.9150 5.9556 6.4610 6.5099 6.5344 6.5344 8.1872 8.1872 8.4001 8.4126 8.4126 8.4152 9.9817 9.9817 9.9886 9.9898 10.0894 10.0894 11.0244 11.0244 k = 0.0000 0.0000 0.0589 ( 3015 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8564 -19.8564 -5.5360 -5.5360 -4.0657 -4.0657 2.7012 2.7012 4.4463 4.4508 4.4645 4.4645 5.0543 5.0543 5.8722 5.8722 5.9122 5.9615 6.4629 6.5227 6.5386 6.5386 8.1373 8.1373 8.3831 8.3982 8.3982 8.4018 9.9794 9.9794 9.9855 9.9870 10.1106 10.1106 11.0649 11.0649 k = 0.0000 0.0000 0.0706 ( 3008 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8564 -19.8564 -5.5299 -5.5299 -4.0764 -4.0764 2.7248 2.7248 4.4440 4.4492 4.4621 4.4621 5.0443 5.0443 5.8767 5.8767 5.9101 5.9671 6.4670 6.5367 6.5438 6.5438 8.0806 8.0806 8.3631 8.3810 8.3810 8.3852 9.9766 9.9766 9.9821 9.9838 10.1330 10.1330 11.1135 11.1135 k = 0.0000 0.0000 0.0824 ( 3008 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8564 -19.8564 -5.5226 -5.5226 -4.0888 -4.0888 2.7522 2.7522 4.4415 4.4473 4.4595 4.4595 5.0322 5.0322 5.8818 5.8818 5.9085 5.9723 6.4733 6.5499 6.5499 6.5517 8.0186 8.0186 8.3404 8.3611 8.3611 8.3658 9.9734 9.9734 9.9784 9.9801 10.1554 10.1554 11.1696 11.1696 k = 0.0000 0.0000 0.0942 ( 3008 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8564 -19.8564 -5.5145 -5.5145 -4.1027 -4.1027 2.7832 2.7832 4.4387 4.4451 4.4565 4.4565 5.0180 5.0180 5.8873 5.8873 5.9077 5.9769 6.4818 6.5569 6.5569 6.5678 7.9531 7.9531 8.3153 8.3390 8.3390 8.3437 9.9700 9.9700 9.9744 9.9763 10.1770 10.1770 11.2321 11.2321 k = 0.0000 0.0000 0.1060 ( 3032 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9073 -19.9073 -19.8565 -19.8565 -5.5055 -5.5055 -4.1179 -4.1179 2.8177 2.8177 4.4358 4.4426 4.4533 4.4533 5.0018 5.0018 5.8931 5.8931 5.9073 5.9808 6.4924 6.5648 6.5648 6.5847 7.8853 7.8853 8.2880 8.3147 8.3147 8.3192 9.9665 9.9665 9.9703 9.9722 10.1974 10.1974 11.3000 11.3000 k = 0.0000 0.0000 0.1177 ( 3038 PWs) bands (ev): -41.4576 -41.4576 -20.3944 -20.3944 -19.9073 -19.9073 -19.8565 -19.8565 -5.4957 -5.4957 -4.1343 -4.1343 2.8554 2.8554 4.4328 4.4400 4.4499 4.4499 4.9834 4.9834 5.8993 5.8993 5.9075 5.9840 6.5053 6.5737 6.5737 6.6025 7.8165 7.8165 8.2589 8.2888 8.2888 8.2926 9.9629 9.9629 9.9663 9.9681 10.2163 10.2163 11.3718 11.3718 k = 0.0000 0.0000 0.1295 ( 3014 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8565 -19.8565 -5.4852 -5.4852 -4.1516 -4.1516 2.8960 2.8960 4.4299 4.4372 4.4465 4.4465 4.9630 4.9630 5.9057 5.9057 5.9084 5.9865 6.5203 6.5834 6.5834 6.6210 7.7481 7.7481 8.2284 8.2614 8.2614 8.2643 9.9595 9.9595 9.9623 9.9641 10.2336 10.2336 11.4464 11.4464 k = 0.0000 0.0000 0.1413 ( 3014 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8565 -19.8565 -5.4741 -5.4741 -4.1697 -4.1697 2.9392 2.9392 4.4268 4.4342 4.4430 4.4430 4.9404 4.9404 5.9097 5.9120 5.9120 5.9882 6.5371 6.5939 6.5939 6.6400 7.6807 7.6807 8.1967 8.2329 8.2329 8.2346 9.9561 9.9561 9.9584 9.9602 10.2493 10.2493 11.5223 11.5223 k = 0.0000 0.0000 0.1531 ( 3014 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8565 -19.8565 -5.4626 -5.4626 -4.1884 -4.1884 2.9844 2.9844 4.4238 4.4312 4.4394 4.4394 4.9157 4.9157 5.9114 5.9183 5.9183 5.9891 6.5558 6.6051 6.6051 6.6594 7.6153 7.6153 8.1643 8.2037 8.2037 8.2037 9.9528 9.9528 9.9547 9.9564 10.2634 10.2634 11.5982 11.5982 k = 0.0000 0.0000 0.1648 ( 3014 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9072 -19.9072 -19.8565 -19.8565 -5.4507 -5.4507 -4.2073 -4.2073 3.0314 3.0314 4.4209 4.4282 4.4359 4.4359 4.8891 4.8891 5.9136 5.9244 5.9244 5.9893 6.5759 6.6168 6.6168 6.6789 7.5527 7.5527 8.1316 8.1720 8.1742 8.1742 9.9497 9.9497 9.9513 9.9528 10.2762 10.2762 11.6730 11.6730 k = 0.0000 0.0000 0.1766 ( 3026 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9073 -19.9073 -19.8565 -19.8565 -5.4387 -5.4387 -4.2262 -4.2262 3.0797 3.0797 4.4180 4.4251 4.4324 4.4324 4.8607 4.8607 5.9160 5.9302 5.9302 5.9887 6.5973 6.6289 6.6289 6.6982 7.4934 7.4934 8.0991 8.1400 8.1447 8.1447 9.9468 9.9468 9.9480 9.9494 10.2876 10.2876 11.7454 11.7454 k = 0.0000 0.0000 0.1884 ( 3032 PWs) bands (ev): -41.4576 -41.4576 -20.3944 -20.3944 -19.9073 -19.9073 -19.8565 -19.8565 -5.4268 -5.4268 -4.2448 -4.2448 3.1286 3.1286 4.4154 4.4221 4.4291 4.4291 4.8307 4.8307 5.9188 5.9357 5.9357 5.9876 6.6196 6.6411 6.6411 6.7172 7.4380 7.4380 8.0671 8.1081 8.1157 8.1157 9.9442 9.9442 9.9450 9.9463 10.2979 10.2979 11.8144 11.8144 k = 0.0000 0.0000 0.2001 ( 3020 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9073 -19.9073 -19.8564 -19.8564 -5.4150 -5.4150 -4.2630 -4.2630 3.1775 3.1775 4.4130 4.4193 4.4260 4.4260 4.7996 4.7996 5.9219 5.9409 5.9409 5.9859 6.6425 6.6535 6.6535 6.7355 7.3869 7.3869 8.0363 8.0766 8.0876 8.0876 9.9419 9.9419 9.9423 9.9435 10.3070 10.3070 11.8792 11.8792 k = 0.0000 0.0000 0.2119 ( 3020 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9073 -19.9073 -19.8564 -19.8564 -5.4036 -5.4036 -4.2803 -4.2803 3.2257 3.2257 4.4107 4.4166 4.4231 4.4231 4.7679 4.7679 5.9252 5.9456 5.9456 5.9837 6.6654 6.6654 6.6656 6.7527 7.3407 7.3407 8.0071 8.0461 8.0608 8.0608 9.9398 9.9398 9.9399 9.9409 10.3150 10.3150 11.9388 11.9388 k = 0.0000 0.0000 0.2237 ( 3014 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9073 -19.9073 -19.8564 -19.8564 -5.3929 -5.3929 -4.2964 -4.2964 3.2724 3.2724 4.4088 4.4140 4.4205 4.4205 4.7362 4.7362 5.9287 5.9498 5.9498 5.9811 6.6769 6.6769 6.6885 6.7684 7.2995 7.2995 7.9800 8.0169 8.0357 8.0357 9.9378 9.9379 9.9379 9.9387 10.3220 10.3220 11.9926 11.9926 k = 0.0000 0.0000 0.2355 ( 3014 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9073 -19.9073 -19.8564 -19.8564 -5.3830 -5.3830 -4.3112 -4.3112 3.3166 3.3166 4.4070 4.4117 4.4181 4.4181 4.7052 4.7052 5.9323 5.9534 5.9534 5.9782 6.6875 6.6875 6.7107 6.7822 7.2636 7.2636 7.9556 7.9896 8.0128 8.0128 9.9360 9.9363 9.9363 9.9367 10.3280 10.3280 12.0401 12.0401 k = 0.0000 0.0000 0.2472 ( 3014 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9073 -19.9073 -19.8564 -19.8564 -5.3742 -5.3742 -4.3243 -4.3243 3.3572 3.3572 4.4056 4.4096 4.4160 4.4160 4.6761 4.6761 5.9361 5.9566 5.9566 5.9749 6.6969 6.6969 6.7318 6.7937 7.2332 7.2332 7.9345 7.9646 7.9926 7.9926 9.9345 9.9350 9.9350 9.9351 10.3331 10.3331 12.0809 12.0809 k = 0.0000 0.0000 0.2590 ( 3020 PWs) bands (ev): -41.4576 -41.4576 -20.3944 -20.3944 -19.9073 -19.9073 -19.8564 -19.8564 -5.3666 -5.3666 -4.3354 -4.3354 3.3929 3.3929 4.4045 4.4077 4.4143 4.4143 4.6498 4.6498 5.9399 5.9591 5.9591 5.9714 6.7050 6.7050 6.7513 6.8025 7.2083 7.2083 7.9171 7.9425 7.9753 7.9753 9.9332 9.9337 9.9339 9.9339 10.3372 10.3372 12.1146 12.1146 k = 0.0000 0.0000 0.2708 ( 3020 PWs) bands (ev): -41.4576 -41.4576 -20.3944 -20.3944 -19.9073 -19.9073 -19.8564 -19.8564 -5.3605 -5.3605 -4.3443 -4.3443 3.4226 3.4226 4.4037 4.4062 4.4129 4.4129 4.6276 4.6276 5.9439 5.9612 5.9612 5.9677 6.7116 6.7116 6.7687 6.8081 7.1890 7.1890 7.9039 7.9238 7.9615 7.9615 9.9323 9.9326 9.9331 9.9331 10.3404 10.3404 12.1410 12.1410 k = 0.0000 0.0000 0.2826 ( 3026 PWs) bands (ev): -41.4576 -41.4576 -20.3944 -20.3944 -19.9074 -19.9074 -19.8564 -19.8564 -5.3560 -5.3560 -4.3508 -4.3508 3.4448 3.4448 4.4033 4.4049 4.4120 4.4120 4.6106 4.6106 5.9479 5.9626 5.9626 5.9639 6.7164 6.7164 6.7836 6.8103 7.1751 7.1751 7.8953 7.9090 7.9513 7.9513 9.9316 9.9318 9.9325 9.9325 10.3426 10.3426 12.1600 12.1600 k = 0.0000 0.0000 0.2943 ( 3026 PWs) bands (ev): -41.4576 -41.4576 -20.3944 -20.3944 -19.9074 -19.9074 -19.8564 -19.8564 -5.3532 -5.3532 -4.3548 -4.3548 3.4587 3.4587 4.4032 4.4040 4.4114 4.4114 4.5999 4.5999 5.9520 5.9600 5.9635 5.9635 6.7193 6.7193 6.7954 6.8090 7.1669 7.1669 7.8915 7.8985 7.9452 7.9452 9.9312 9.9313 9.9321 9.9321 10.3440 10.3440 12.1714 12.1714 k = 0.0000 0.0000 0.3061 ( 3014 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9073 -19.9073 -19.8564 -19.8564 -5.3523 -5.3523 -4.3562 -4.3562 3.4634 3.4634 4.4035 4.4035 4.4112 4.4112 4.5963 4.5963 5.9560 5.9560 5.9638 5.9638 6.7203 6.7203 6.8041 6.8041 7.1642 7.1642 7.8926 7.8926 7.9431 7.9431 9.9312 9.9312 9.9320 9.9320 10.3445 10.3445 12.1752 12.1752 k = 0.0000 0.0000 0.3061 ( 3014 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9073 -19.9073 -19.8564 -19.8564 -5.3523 -5.3523 -4.3562 -4.3562 3.4634 3.4634 4.4035 4.4035 4.4112 4.4112 4.5963 4.5963 5.9560 5.9560 5.9638 5.9638 6.7203 6.7203 6.8041 6.8041 7.1642 7.1642 7.8926 7.8926 7.9431 7.9431 9.9312 9.9312 9.9320 9.9320 10.3445 10.3445 12.1752 12.1752 k = 0.0102 0.0059 0.3061 ( 3018 PWs) bands (ev): -41.4576 -41.4576 -20.3944 -20.3943 -19.9074 -19.9073 -19.8565 -19.8565 -5.3516 -5.3516 -4.3558 -4.3556 3.4639 3.4639 4.3937 4.3972 4.4081 4.4094 4.6020 4.6078 5.9557 5.9558 5.9624 5.9648 6.7166 6.7226 6.8035 6.8036 7.1622 7.1666 7.8898 7.8900 7.9404 7.9414 9.9316 9.9319 9.9339 9.9343 10.3470 10.3470 12.1442 12.1539 k = 0.0204 0.0118 0.3061 ( 3018 PWs) bands (ev): -41.4576 -41.4576 -20.3945 -20.3944 -19.9075 -19.9073 -19.8567 -19.8567 -5.3496 -5.3495 -4.3545 -4.3541 3.4652 3.4653 4.3652 4.3735 4.4073 4.4081 4.6217 4.6312 5.9546 5.9551 5.9610 5.9653 6.7115 6.7235 6.8020 6.8023 7.1608 7.1692 7.8808 7.8825 7.9344 7.9352 9.9325 9.9332 9.9406 9.9412 10.3545 10.3545 12.0909 12.1021 k = 0.0306 0.0177 0.3061 ( 3016 PWs) bands (ev): -41.4576 -41.4576 -20.3947 -20.3945 -19.9076 -19.9073 -19.8570 -19.8570 -5.3461 -5.3459 -4.3523 -4.3517 3.4674 3.4676 4.3276 4.3381 4.4065 4.4085 4.6483 4.6598 5.9521 5.9540 5.9601 5.9654 6.7050 6.7230 6.7993 6.8003 7.1599 7.1719 7.8648 7.8701 7.9250 7.9264 9.9336 9.9346 9.9518 9.9526 10.3669 10.3671 12.0315 12.0422 k = 0.0408 0.0236 0.3061 ( 3024 PWs) bands (ev): -41.4575 -41.4575 -20.3950 -20.3947 -19.9077 -19.9074 -19.8575 -19.8575 -5.3412 -5.3411 -4.3491 -4.3483 3.4705 3.4706 4.2849 4.2965 4.4058 4.4089 4.6770 4.6897 5.9482 5.9521 5.9597 5.9653 6.6972 6.7211 6.7954 6.7977 7.1594 7.1743 7.8419 7.8526 7.9120 7.9172 9.9346 9.9357 9.9673 9.9682 10.3842 10.3847 11.9697 11.9795 k = 0.0510 0.0295 0.3061 ( 3028 PWs) bands (ev): -41.4574 -41.4574 -20.3953 -20.3949 -19.9079 -19.9075 -19.8581 -19.8581 -5.3350 -5.3348 -4.3451 -4.3441 3.4742 3.4745 4.2391 4.2515 4.4052 4.4093 4.7054 4.7189 5.9433 5.9492 5.9596 5.9651 6.6881 6.7180 6.7903 6.7945 7.1592 7.1762 7.8132 7.8304 7.8973 7.9070 9.9348 9.9359 9.9868 9.9879 10.4062 10.4071 11.9067 11.9154 k = 0.0612 0.0353 0.3061 ( 3030 PWs) bands (ev): -41.4573 -41.4573 -20.3956 -20.3952 -19.9081 -19.9076 -19.8589 -19.8589 -5.3275 -5.3272 -4.3401 -4.3389 3.4787 3.4789 4.1915 4.2044 4.4046 4.4097 4.7323 4.7464 5.9373 5.9454 5.9596 5.9649 6.6779 6.7135 6.7840 6.7907 7.1591 7.1771 7.7801 7.8043 7.8815 7.8959 9.9340 9.9349 10.0100 10.0113 10.4325 10.4339 11.8431 11.8506 k = 0.0714 0.0412 0.3061 ( 3038 PWs) bands (ev): -41.4572 -41.4572 -20.3960 -20.3955 -19.9083 -19.9078 -19.8598 -19.8597 -5.3186 -5.3183 -4.3343 -4.3329 3.4836 3.4838 4.1426 4.1559 4.4041 4.4100 4.7569 4.7715 5.9305 5.9403 5.9597 5.9648 6.6666 6.7077 6.7764 6.7863 7.1587 7.1767 7.7441 7.7754 7.8651 7.8838 9.9318 9.9325 10.0366 10.0380 10.4625 10.4645 11.7791 11.7855 k = 0.0816 0.0471 0.3061 ( 3036 PWs) bands (ev): -41.4571 -41.4571 -20.3965 -20.3959 -19.9086 -19.9079 -19.8607 -19.8607 -5.3084 -5.3081 -4.3275 -4.3259 3.4888 3.4890 4.0931 4.1068 4.4035 4.4103 4.7787 4.7937 5.9229 5.9341 5.9598 5.9647 6.6543 6.7006 6.7679 6.7814 7.1577 7.1746 7.7067 7.7452 7.8483 7.8710 9.9282 9.9285 10.0663 10.0677 10.4956 10.4982 11.7151 11.7204 k = 0.0918 0.0530 0.3061 ( 3036 PWs) bands (ev): -41.4570 -41.4570 -20.3970 -20.3964 -19.9088 -19.9081 -19.8618 -19.8617 -5.2970 -5.2966 -4.3199 -4.3182 3.4940 3.4942 4.0434 4.0575 4.4030 4.4106 4.7973 4.8128 5.9145 5.9267 5.9599 5.9647 6.6413 6.6922 6.7583 6.7759 7.1558 7.1706 7.6694 7.7152 7.8312 7.8576 9.9230 9.9231 10.0986 10.1000 10.5310 10.5343 11.6516 11.6558 k = 0.1020 0.0589 0.3061 ( 3038 PWs) bands (ev): -41.4568 -41.4568 -20.3975 -20.3968 -19.9092 -19.9084 -19.8630 -19.8629 -5.2843 -5.2839 -4.3115 -4.3096 3.4987 3.4989 3.9942 4.0085 4.4024 4.4108 4.8125 4.8283 5.9052 5.9180 5.9599 5.9646 6.6274 6.6825 6.7479 6.7699 7.1525 7.1644 7.6333 7.6864 7.8141 7.8438 9.9161 9.9166 10.1331 10.1346 10.5679 10.5718 11.5889 11.5921 k = 0.1122 0.0648 0.3061 ( 3042 PWs) bands (ev): -41.4567 -41.4567 -20.3982 -20.3974 -19.9095 -19.9086 -19.8642 -19.8642 -5.2705 -5.2700 -4.3022 -4.3001 3.5023 3.5025 3.9461 3.9607 4.4017 4.4109 4.8242 4.8403 5.8950 5.9081 5.9598 5.9645 6.6129 6.6714 6.7367 6.7632 7.1477 7.1560 7.5996 7.6597 7.7971 7.8299 9.9079 9.9089 10.1695 10.1710 10.6056 10.6101 11.5276 11.5298 k = 0.1224 0.0707 0.3061 ( 3042 PWs) bands (ev): -41.4565 -41.4565 -20.3988 -20.3980 -19.9099 -19.9089 -19.8656 -19.8655 -5.2555 -5.2550 -4.2922 -4.2899 3.5041 3.5043 3.9001 3.9149 4.4011 4.4110 4.8322 4.8484 5.8839 5.8968 5.9596 5.9643 6.5978 6.6589 6.7249 6.7560 7.1412 7.1456 7.5690 7.6359 7.7805 7.8162 9.8986 9.9000 10.2074 10.2088 10.6434 10.6483 11.4683 11.4695 k = 0.1327 0.0766 0.3061 ( 3050 PWs) bands (ev): -41.4563 -41.4563 -20.3995 -20.3987 -19.9104 -19.9093 -19.8670 -19.8669 -5.2395 -5.2389 -4.2814 -4.2790 3.5026 3.5030 3.8575 3.8722 4.4003 4.4109 4.8364 4.8527 5.8718 5.8842 5.9591 5.9638 6.5823 6.6453 6.7127 6.7481 7.1330 7.1335 7.5421 7.6151 7.7645 7.8026 9.8883 9.8901 10.2463 10.2477 10.6805 10.6856 11.4116 11.4120 k = 0.1429 0.0825 0.3061 ( 3042 PWs) bands (ev): -41.4561 -41.4561 -20.4002 -20.3993 -19.9108 -19.9097 -19.8685 -19.8683 -5.2224 -5.2218 -4.2698 -4.2672 3.4963 3.4972 3.8200 3.8343 4.3996 4.4108 4.8370 4.8533 5.8588 5.8701 5.9585 5.9631 6.5665 6.6306 6.7002 6.7397 7.1203 7.1235 7.5191 7.5973 7.7492 7.7896 9.8771 9.8791 10.2861 10.2873 10.7162 10.7215 11.3582 11.3584 k = 0.1531 0.0884 0.3061 ( 3040 PWs) bands (ev): -41.4559 -41.4559 -20.4010 -20.4001 -19.9113 -19.9101 -19.8700 -19.8698 -5.2043 -5.2037 -4.2575 -4.2548 3.4832 3.4849 3.7893 3.8030 4.3987 4.4105 4.8340 4.8501 5.8446 5.8547 5.9575 5.9622 6.5505 6.6151 6.6875 6.7309 7.1067 7.1129 7.4997 7.5821 7.7348 7.7772 9.8650 9.8672 10.3262 10.3273 10.7498 10.7548 11.3092 11.3098 k = 0.1633 0.0943 0.3061 ( 3040 PWs) bands (ev): -41.4557 -41.4557 -20.4019 -20.4008 -19.9119 -19.9106 -19.8715 -19.8713 -5.1854 -5.1847 -4.2446 -4.2417 3.4618 3.4647 3.7671 3.7795 4.3979 4.4102 4.8276 4.8433 5.8293 5.8378 5.9563 5.9610 6.5344 6.5990 6.6746 6.7215 7.0932 7.1020 7.4835 7.5691 7.7214 7.7655 9.8519 9.8544 10.3663 10.3674 10.7803 10.7847 11.2663 11.2670 k = 0.1735 0.1002 0.3061 ( 3044 PWs) bands (ev): -41.4555 -41.4555 -20.4027 -20.4017 -19.9125 -19.9112 -19.8730 -19.8728 -5.1656 -5.1649 -4.2310 -4.2280 3.4319 3.4362 3.7534 3.7644 4.3969 4.4097 4.8180 4.8333 5.8127 5.8194 5.9547 5.9595 6.5185 6.5826 6.6616 6.7117 7.0806 7.0911 7.4700 7.5578 7.7091 7.7546 9.8379 9.8405 10.4062 10.4072 10.8065 10.8098 11.2312 11.2316 k = 0.1837 0.1060 0.3061 ( 3046 PWs) bands (ev): -41.4553 -41.4553 -20.4036 -20.4026 -19.9132 -19.9118 -19.8746 -19.8743 -5.1450 -5.1443 -4.2168 -4.2137 3.3945 3.4002 3.7472 3.7567 4.3959 4.4091 4.8055 4.8203 5.7949 5.7998 5.9527 5.9575 6.5028 6.5663 6.6488 6.7016 7.0691 7.0808 7.4585 7.5478 7.6979 7.7446 9.8229 9.8256 10.4456 10.4465 10.8269 10.8286 11.2053 11.2058 k = 0.1939 0.1119 0.3061 ( 3046 PWs) bands (ev): -41.4550 -41.4550 -20.4046 -20.4035 -19.9140 -19.9124 -19.8761 -19.8758 -5.1238 -5.1230 -4.2020 -4.1989 3.3513 3.3583 3.7467 3.7547 4.3948 4.4084 4.7906 4.8047 5.7758 5.7788 5.9503 5.9552 6.4875 6.5505 6.6360 6.6913 7.0593 7.0714 7.4485 7.5385 7.6877 7.7354 9.8070 9.8097 10.4842 10.4850 10.8398 10.8404 11.1900 11.1918 k = 0.2041 0.1178 0.3061 ( 3042 PWs) bands (ev): -41.4548 -41.4548 -20.4055 -20.4044 -19.9148 -19.9132 -19.8776 -19.8772 -5.1019 -5.1012 -4.1867 -4.1835 3.3041 3.3120 3.7500 3.7568 4.3936 4.4076 4.7736 4.7870 5.7554 5.7567 5.9475 5.9525 6.4728 6.5354 6.6234 6.6807 7.0511 7.0631 7.4396 7.5298 7.6787 7.7271 9.7900 9.7927 10.5217 10.5225 10.8433 10.8463 11.1863 11.1898 k = 0.2143 0.1237 0.3061 ( 3046 PWs) bands (ev): -41.4545 -41.4545 -20.4065 -20.4054 -19.9157 -19.9140 -19.8791 -19.8787 -5.0795 -5.0788 -4.1710 -4.1676 3.2541 3.2627 3.7558 3.7616 4.3924 4.4066 4.7551 4.7676 5.7334 5.7337 5.9443 5.9494 6.4586 6.5211 6.6111 6.6701 7.0447 7.0559 7.4313 7.5212 7.6707 7.7196 9.7720 9.7746 10.5580 10.5587 10.8403 10.8457 11.1939 11.1989 k = 0.2245 0.1296 0.3061 ( 3040 PWs) bands (ev): -41.4543 -41.4543 -20.4075 -20.4063 -19.9166 -19.9149 -19.8805 -19.8800 -5.0567 -5.0559 -4.1548 -4.1514 3.2022 3.2112 3.7630 3.7679 4.3911 4.4055 4.7356 4.7471 5.7093 5.7110 5.9406 5.9458 6.4451 6.5079 6.5993 6.6596 7.0399 7.0498 7.4236 7.5127 7.6637 7.7129 9.7530 9.7555 10.5929 10.5935 10.8331 10.8405 11.2108 11.2171 k = 0.2347 0.1355 0.3061 ( 3048 PWs) bands (ev): -41.4540 -41.4540 -20.4086 -20.4074 -19.9176 -19.9159 -19.8819 -19.8814 -5.0335 -5.0327 -4.1382 -4.1348 3.1491 3.1584 3.7709 3.7750 4.3896 4.4042 4.7156 4.7260 5.6843 5.6871 5.9365 5.9418 6.4323 6.4956 6.5878 6.6492 7.0365 7.0445 7.4163 7.5041 7.6576 7.7070 9.7331 9.7355 10.6262 10.6267 10.8241 10.8331 11.2350 11.2420 k = 0.2449 0.1414 0.3061 ( 3048 PWs) bands (ev): -41.4538 -41.4538 -20.4096 -20.4084 -19.9187 -19.9170 -19.8831 -19.8826 -5.0101 -5.0093 -4.1213 -4.1178 3.0952 3.1047 3.7790 3.7822 4.3881 4.4027 4.6956 4.7049 5.6587 5.6624 5.9320 5.9374 6.4204 6.4846 6.5769 6.6390 7.0344 7.0398 7.4094 7.4954 7.6523 7.7017 9.7124 9.7147 10.6577 10.6582 10.8153 10.8254 11.2645 11.2720 k = 0.2551 0.1473 0.3061 ( 3048 PWs) bands (ev): -41.4535 -41.4535 -20.4107 -20.4095 -19.9199 -19.9181 -19.8843 -19.8838 -4.9865 -4.9857 -4.1041 -4.1006 3.0409 3.0505 3.7867 3.7891 4.3865 4.4011 4.6762 4.6843 5.6325 5.6369 5.9271 5.9325 6.4092 6.4745 6.5666 6.6291 7.0330 7.0354 7.4030 7.4868 7.6479 7.6971 9.6911 9.6933 10.6875 10.6879 10.8080 10.8188 11.2980 11.3056 k = 0.2653 0.1532 0.3061 ( 3048 PWs) bands (ev): -41.4533 -41.4533 -20.4117 -20.4105 -19.9211 -19.9193 -19.8854 -19.8849 -4.9629 -4.9621 -4.0867 -4.0832 2.9865 2.9961 3.7938 3.7954 4.3848 4.3994 4.6578 4.6647 5.6059 5.6107 5.9218 5.9274 6.3988 6.4655 6.5571 6.6197 7.0310 7.0320 7.3973 7.4784 7.6443 7.6930 9.6692 9.6714 10.7154 10.7156 10.8031 10.8141 11.3347 11.3422 k = 0.2755 0.1591 0.3061 ( 3052 PWs) bands (ev): -41.4530 -41.4530 -20.4128 -20.4116 -19.9223 -19.9206 -19.8865 -19.8859 -4.9393 -4.9385 -4.0692 -4.0657 2.9322 2.9417 3.7999 3.8007 4.3831 4.3976 4.6409 4.6465 5.5789 5.5840 5.9162 5.9218 6.3891 6.4573 6.5482 6.6106 7.0261 7.0311 7.3926 7.4703 7.6413 7.6895 9.6471 9.6493 10.7411 10.7413 10.8010 10.8118 11.3738 11.3810 k = 0.2857 0.1650 0.3061 ( 3054 PWs) bands (ev): -41.4528 -41.4528 -20.4138 -20.4127 -19.9236 -19.9219 -19.8874 -19.8869 -4.9158 -4.9151 -4.0515 -4.0481 2.8782 2.8875 3.8048 3.8050 4.3813 4.3956 4.6258 4.6301 5.5518 5.5569 5.9103 5.9159 6.3803 6.4500 6.5401 6.6021 7.0203 7.0298 7.3892 7.4629 7.6390 7.6864 9.6249 9.6270 10.7640 10.7653 10.8023 10.8121 11.4149 11.4217 k = 0.2959 0.1708 0.3061 ( 3050 PWs) bands (ev): -41.4525 -41.4525 -20.4149 -20.4138 -19.9249 -19.9232 -19.8882 -19.8877 -4.8926 -4.8919 -4.0339 -4.0305 2.8248 2.8338 3.8080 3.8086 4.3795 4.3936 4.6127 4.6158 5.5246 5.5297 5.9042 5.9098 6.3722 6.4434 6.5328 6.5942 7.0134 7.0277 7.3872 7.4566 7.6373 7.6837 9.6026 9.6048 10.7833 10.7872 10.8083 10.8152 11.4579 11.4641 k = 0.3061 0.1767 0.3061 ( 3052 PWs) bands (ev): -41.4523 -41.4523 -20.4159 -20.4148 -19.9263 -19.9246 -19.8890 -19.8885 -4.8698 -4.8691 -4.0163 -4.0130 2.7721 2.7809 3.8097 3.8110 4.3776 4.3914 4.6018 4.6037 5.4975 5.5024 5.8979 5.9035 6.3648 6.4374 6.5263 6.5867 7.0052 7.0244 7.3871 7.4515 7.6360 7.6813 9.5806 9.5828 10.7975 10.8064 10.8203 10.8219 11.5022 11.5078 k = 0.3163 0.1826 0.3061 ( 3056 PWs) bands (ev): -41.4521 -41.4521 -20.4170 -20.4159 -19.9277 -19.9260 -19.8897 -19.8892 -4.8474 -4.8467 -3.9988 -3.9956 2.7203 2.7288 3.8102 3.8120 4.3757 4.3892 4.5932 4.5939 5.4704 5.4751 5.8915 5.8969 6.3582 6.4319 6.5205 6.5799 6.9954 7.0196 7.3888 7.4479 7.6353 7.6791 9.5588 9.5611 10.8088 10.8214 10.8336 10.8361 11.5478 11.5525 k = 0.3265 0.1885 0.3061 ( 3054 PWs) bands (ev): -41.4518 -41.4518 -20.4180 -20.4169 -19.9290 -19.9274 -19.8903 -19.8898 -4.8255 -4.8249 -3.9816 -3.9784 2.6697 2.6779 3.8096 3.8119 4.3738 4.3870 4.5865 4.5868 5.4436 5.4480 5.8849 5.8903 6.3524 6.4269 6.5156 6.5736 6.9842 7.0131 7.3925 7.4462 7.6350 7.6772 9.5374 9.5397 10.8205 10.8336 10.8488 10.8524 11.5941 11.5980 k = 0.3367 0.1944 0.3061 ( 3054 PWs) bands (ev): -41.4516 -41.4516 -20.4189 -20.4179 -19.9303 -19.9288 -19.8908 -19.8904 -4.8043 -4.8037 -3.9646 -3.9616 2.6205 2.6283 3.8079 3.8106 4.3720 4.3847 4.5814 4.5826 5.4171 5.4212 5.8784 5.8836 6.3473 6.4224 6.5115 6.5679 6.9717 7.0049 7.3981 7.4464 7.6351 7.6755 9.5164 9.5189 10.8337 10.8463 10.8642 10.8681 11.6409 11.6437 k = 0.3469 0.2003 0.3061 ( 3050 PWs) bands (ev): -41.4514 -41.4514 -20.4199 -20.4189 -19.9316 -19.9302 -19.8913 -19.8909 -4.7839 -4.7833 -3.9480 -3.9451 2.5729 2.5802 3.8054 3.8085 4.3702 4.3824 4.5783 4.5803 5.3912 5.3948 5.8718 5.8769 6.3430 6.4181 6.5080 6.5627 6.9580 6.9950 7.4053 7.4484 7.6354 7.6739 9.4960 9.4985 10.8486 10.8606 10.8789 10.8828 11.6876 11.6893 k = 0.3571 0.2062 0.3061 ( 3050 PWs) bands (ev): -41.4512 -41.4512 -20.4208 -20.4198 -19.9329 -19.9316 -19.8917 -19.8914 -4.7643 -4.7638 -3.9319 -3.9291 2.5270 2.5340 3.8022 3.8055 4.3685 4.3801 4.5771 4.5798 5.3657 5.3691 5.8654 5.8703 6.3394 6.4141 6.5053 6.5579 6.9435 6.9835 7.4140 7.4522 7.6360 7.6724 9.4761 9.4787 10.8651 10.8763 10.8928 10.8967 11.7325 11.7326 k = 0.3673 0.2121 0.3061 ( 3050 PWs) bands (ev): -41.4510 -41.4510 -20.4216 -20.4207 -19.9341 -19.9329 -19.8921 -19.8918 -4.7456 -4.7451 -3.9164 -3.9137 2.4832 2.4897 3.7986 3.8020 4.3668 4.3779 4.5775 4.5807 5.3411 5.3441 5.8592 5.8638 6.3365 6.4103 6.5033 6.5536 6.9286 6.9707 7.4240 7.4576 7.6369 7.6710 9.4569 9.4595 10.8828 10.8928 10.9065 10.9099 11.7381 11.7392 k = 0.3776 0.2180 0.3061 ( 3046 PWs) bands (ev): -41.4508 -41.4508 -20.4224 -20.4216 -19.9353 -19.9341 -19.8924 -19.8921 -4.7280 -4.7275 -3.9015 -3.8989 2.4416 2.4476 3.7946 3.7981 4.3652 4.3757 4.5793 4.5829 5.3173 5.3200 5.8531 5.8575 6.3344 6.4065 6.5019 6.5498 6.9135 6.9568 7.4348 7.4642 7.6380 7.6697 9.4383 9.4410 10.9009 10.9083 10.9217 10.9233 11.7380 11.7392 k = 0.3878 0.2239 0.3061 ( 3042 PWs) bands (ev): -41.4506 -41.4506 -20.4232 -20.4224 -19.9364 -19.9353 -19.8927 -19.8924 -4.7115 -4.7110 -3.8873 -3.8849 2.4024 2.4079 3.7906 3.7941 4.3638 4.3735 4.5823 4.5861 5.2945 5.2969 5.8474 5.8515 6.3330 6.4029 6.5011 6.5462 6.8987 6.9424 7.4463 7.4718 7.6392 7.6684 9.4205 9.4232 10.9174 10.9209 10.9385 10.9401 11.7381 11.7394 k = 0.3980 0.2298 0.3061 ( 3038 PWs) bands (ev): -41.4505 -41.4505 -20.4239 -20.4232 -19.9374 -19.9364 -19.8929 -19.8927 -4.6961 -4.6957 -3.8740 -3.8718 2.3659 2.3709 3.7867 3.7900 4.3625 4.3714 4.5860 4.5899 5.2729 5.2750 5.8419 5.8458 6.3323 6.3992 6.5009 6.5429 6.8844 6.9276 7.4580 7.4800 7.6407 7.6671 9.4037 9.4063 10.9305 10.9312 10.9571 10.9608 11.7384 11.7397 k = 0.4082 0.2357 0.3061 ( 3050 PWs) bands (ev): -41.4503 -41.4503 -20.4246 -20.4239 -19.9384 -19.9375 -19.8932 -19.8930 -4.6820 -4.6816 -3.8616 -3.8596 2.3322 2.3367 3.7829 3.7860 4.3612 4.3694 4.5902 4.5941 5.2526 5.2545 5.8369 5.8404 6.3322 6.3953 6.5010 6.5398 6.8710 6.9128 7.4697 7.4884 7.6422 7.6659 9.3877 9.3903 10.9400 10.9407 10.9783 10.9828 11.7389 11.7401 k = 0.4184 0.2415 0.3061 ( 3046 PWs) bands (ev): -41.4502 -41.4502 -20.4251 -20.4246 -19.9392 -19.9384 -19.8934 -19.8932 -4.6692 -4.6689 -3.8502 -3.8484 2.3015 2.3055 3.7794 3.7823 4.3602 4.3676 4.5948 4.5986 5.2338 5.2355 5.8323 5.8355 6.3329 6.3915 6.5017 6.5369 6.8588 6.8983 7.4811 7.4968 7.6438 7.6648 9.3729 9.3754 10.9478 10.9490 11.0008 11.0051 11.7394 11.7406 k = 0.4286 0.2474 0.3061 ( 3046 PWs) bands (ev): -41.4501 -41.4501 -20.4257 -20.4252 -19.9400 -19.9393 -19.8935 -19.8934 -4.6578 -4.6575 -3.8399 -3.8383 2.2740 2.2775 3.7762 3.7788 4.3593 4.3658 4.5995 4.6031 5.2167 5.2182 5.8281 5.8309 6.3341 6.3875 6.5028 6.5342 6.8479 6.8844 7.4918 7.5049 7.6456 7.6637 9.3594 9.3617 10.9546 10.9560 11.0233 11.0273 11.7400 11.7410 k = 0.4388 0.2533 0.3061 ( 3054 PWs) bands (ev): -41.4500 -41.4500 -20.4261 -20.4257 -19.9407 -19.9401 -19.8937 -19.8935 -4.6477 -4.6475 -3.8308 -3.8295 2.2498 2.2529 3.7734 3.7757 4.3585 4.3642 4.6041 4.6073 5.2015 5.2027 5.8245 5.8269 6.3359 6.3833 6.5041 6.5316 6.8386 6.8714 7.5018 7.5124 7.6473 7.6626 9.3473 9.3494 10.9605 10.9619 11.0451 11.0487 11.7405 11.7414 k = 0.4490 0.2592 0.3061 ( 3058 PWs) bands (ev): -41.4499 -41.4499 -20.4265 -20.4262 -19.9413 -19.9407 -19.8938 -19.8937 -4.6392 -4.6390 -3.8230 -3.8218 2.2292 2.2317 3.7711 3.7731 4.3580 4.3627 4.6083 4.6111 5.1883 5.1893 5.8214 5.8234 6.3383 6.3790 6.5058 6.5290 6.8311 6.8595 7.5106 7.5190 7.6490 7.6616 9.3368 9.3386 10.9655 10.9668 11.0655 11.0685 11.7410 11.7418 k = 0.4592 0.2651 0.3061 ( 3054 PWs) bands (ev): -41.4498 -41.4498 -20.4268 -20.4265 -19.9417 -19.9413 -19.8938 -19.8938 -4.6321 -4.6320 -3.8164 -3.8155 2.2122 2.2142 3.7692 3.7708 4.3576 4.3614 4.6121 4.6145 5.1772 5.1780 5.8188 5.8205 6.3412 6.3746 6.5077 6.5265 6.8254 6.8489 7.5183 7.5246 7.6508 7.6606 9.3279 9.3294 10.9697 10.9708 11.0837 11.0862 11.7415 11.7421 k = 0.4694 0.2710 0.3061 ( 3050 PWs) bands (ev): -41.4498 -41.4498 -20.4271 -20.4268 -19.9420 -19.9417 -19.8939 -19.8939 -4.6266 -4.6265 -3.8113 -3.8106 2.1989 2.2005 3.7678 3.7690 4.3574 4.3603 4.6153 4.6171 5.1685 5.1691 5.8169 5.8182 6.3446 6.3701 6.5097 6.5240 6.8217 6.8397 7.5245 7.5290 7.6524 7.6597 9.3210 9.3221 10.9730 10.9739 11.0989 11.1008 11.7418 11.7423 k = 0.4796 0.2769 0.3061 ( 3064 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4271 -19.9423 -19.9421 -19.8940 -19.8939 -4.6227 -4.6226 -3.8075 -3.8071 2.1895 2.1905 3.7669 3.7677 4.3573 4.3592 4.6177 4.6190 5.1622 5.1626 5.8155 5.8164 6.3482 6.3655 6.5119 6.5215 6.8199 6.8321 7.5291 7.5321 7.6539 7.6586 9.3160 9.3168 10.9754 10.9760 11.1105 11.1118 11.7421 11.7424 k = 0.4898 0.2828 0.3061 ( 3068 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9423 -19.8940 -19.8940 -4.6203 -4.6202 -3.8052 -3.8050 2.1838 2.1843 3.7664 3.7668 4.3575 4.3584 4.6194 4.6200 5.1584 5.1586 5.8148 5.8152 6.3522 6.3609 6.5142 6.5191 6.8201 6.8263 7.5322 7.5336 7.6552 7.6576 9.3130 9.3134 10.9769 10.9772 11.1179 11.1185 11.7423 11.7425 k = 0.5000 0.2887 0.3061 ( 3068 PWs) bands (ev): -41.4497 -41.4497 -20.4274 -20.4274 -19.9424 -19.9424 -19.8940 -19.8940 -4.6195 -4.6195 -3.8044 -3.8044 2.1821 2.1821 3.7663 3.7663 4.3579 4.3579 4.6201 4.6201 5.1572 5.1572 5.8147 5.8147 6.3565 6.3565 6.5166 6.5166 6.8222 6.8222 7.5337 7.5337 7.6565 7.6565 9.3121 9.3121 10.9775 10.9775 11.1206 11.1206 11.7424 11.7424 k = 0.5000 0.2887 0.3061 ( 3068 PWs) bands (ev): -41.4497 -41.4497 -20.4274 -20.4274 -19.9424 -19.9424 -19.8940 -19.8940 -4.6195 -4.6195 -3.8044 -3.8044 2.1821 2.1821 3.7663 3.7663 4.3579 4.3579 4.6201 4.6201 5.1572 5.1572 5.8147 5.8147 6.3565 6.3565 6.5166 6.5166 6.8222 6.8222 7.5337 7.5337 7.6565 7.6565 9.3121 9.3121 10.9775 10.9775 11.1206 11.1206 11.7424 11.7424 k = 0.4943 0.2986 0.3061 ( 3072 PWs) bands (ev): -41.4497 -41.4497 -20.4275 -20.4273 -19.9425 -19.9423 -19.8941 -19.8941 -4.6192 -4.6192 -3.8044 -3.8041 2.1829 2.1833 3.7665 3.7670 4.3512 4.3579 4.6180 4.6254 5.1561 5.1587 5.8130 5.8135 6.3498 6.3625 6.5133 6.5189 6.8164 6.8291 7.5249 7.5399 7.6456 7.6635 9.3140 9.3160 10.9762 10.9767 11.1194 11.1196 11.7316 11.7374 k = 0.4885 0.3086 0.3061 ( 3060 PWs) bands (ev): -41.4497 -41.4497 -20.4275 -20.4272 -19.9424 -19.9422 -19.8943 -19.8941 -4.6184 -4.6183 -3.8042 -3.8036 2.1856 2.1863 3.7676 3.7686 4.3387 4.3513 4.6193 4.6332 5.1554 5.1606 5.8083 5.8094 6.3423 6.3679 6.5092 6.5200 6.8120 6.8370 7.5133 7.5436 7.6311 7.6670 9.3215 9.3254 10.9729 10.9738 11.1160 11.1166 11.7103 11.7194 k = 0.4828 0.3185 0.3061 ( 3056 PWs) bands (ev): -41.4497 -41.4497 -20.4276 -20.4271 -19.9424 -19.9420 -19.8946 -19.8944 -4.6169 -4.6168 -3.8038 -3.8030 2.1902 2.1913 3.7695 3.7710 4.3209 4.3382 4.6235 4.6427 5.1550 5.1628 5.8008 5.8024 6.3342 6.3727 6.5046 6.5197 6.8089 6.8455 7.4988 7.5446 7.6133 7.6673 9.3344 9.3402 10.9678 10.9691 11.1105 11.1114 11.6850 11.6952 k = 0.4770 0.3285 0.3061 ( 3054 PWs) bands (ev): -41.4496 -41.4496 -20.4277 -20.4270 -19.9423 -19.9418 -19.8950 -19.8947 -4.6150 -4.6148 -3.8032 -3.8021 2.1967 2.1981 3.7722 3.7741 4.2989 4.3194 4.6302 4.6533 5.1549 5.1653 5.7904 5.7926 6.3252 6.3767 6.4998 6.5180 6.8074 6.8546 7.4814 7.5423 7.5935 7.6648 9.3523 9.3597 10.9614 10.9629 11.1027 11.1039 11.6594 11.6693 k = 0.4713 0.3384 0.3061 ( 3054 PWs) bands (ev): -41.4496 -41.4496 -20.4279 -20.4270 -19.9421 -19.9415 -19.8955 -19.8951 -4.6125 -4.6123 -3.8023 -3.8010 2.2051 2.2069 3.7755 3.7780 4.2733 4.2960 4.6384 4.6642 5.1551 5.1681 5.7773 5.7800 6.3156 6.3802 6.4948 6.5149 6.8073 6.8641 7.4611 7.5344 7.5743 7.6600 9.3748 9.3835 10.9541 10.9559 11.0926 11.0942 11.6351 11.6443 k = 0.4655 0.3484 0.3061 ( 3046 PWs) bands (ev): -41.4496 -41.4496 -20.4280 -20.4269 -19.9419 -19.9411 -19.8961 -19.8957 -4.6095 -4.6093 -3.8013 -3.7997 2.2153 2.2174 3.7794 3.7823 4.2448 4.2687 4.6477 4.6752 5.1557 5.1712 5.7616 5.7647 6.3053 6.3830 6.4899 6.5107 6.8088 6.8738 7.4382 7.5181 7.5596 7.6533 9.4014 9.4112 10.9463 10.9482 11.0802 11.0822 11.6130 11.6211 k = 0.4598 0.3584 0.3061 ( 3042 PWs) bands (ev): -41.4496 -41.4496 -20.4281 -20.4269 -19.9417 -19.9408 -19.8968 -19.8963 -4.6060 -4.6058 -3.8000 -3.7982 2.2273 2.2298 3.7836 3.7870 4.2140 4.2382 4.6575 4.6859 5.1565 5.1746 5.7434 5.7471 6.2943 6.3853 6.4850 6.5057 6.8117 6.8838 7.4131 7.4939 7.5491 7.6450 9.4314 9.4420 10.9383 10.9404 11.0655 11.0679 11.5934 11.6003 k = 0.4540 0.3683 0.3061 ( 3046 PWs) bands (ev): -41.4495 -41.4495 -20.4283 -20.4268 -19.9414 -19.9404 -19.8975 -19.8970 -4.6021 -4.6018 -3.7986 -3.7965 2.2410 2.2439 3.7878 3.7917 4.1815 4.2055 4.6673 4.6961 5.1574 5.1781 5.7228 5.7270 6.2829 6.3869 6.4797 6.5003 6.8157 6.8938 7.3864 7.4659 7.5396 7.6353 9.4643 9.4755 10.9303 10.9326 11.0486 11.0516 11.5767 11.5825 k = 0.4483 0.3783 0.3061 ( 3054 PWs) bands (ev): -41.4495 -41.4495 -20.4285 -20.4268 -19.9411 -19.9399 -19.8984 -19.8979 -4.5978 -4.5974 -3.7970 -3.7947 2.2564 2.2597 3.7916 3.7960 4.1479 4.1712 4.6770 4.7057 5.1585 5.1817 5.7001 5.7049 6.2711 6.3880 6.4737 6.4954 6.8208 6.9039 7.3587 7.4364 7.5294 7.6243 9.4997 9.5113 10.9223 10.9248 11.0298 11.0334 11.5630 11.5678 k = 0.4425 0.3882 0.3061 ( 3054 PWs) bands (ev): -41.4494 -41.4494 -20.4286 -20.4268 -19.9408 -19.9395 -19.8994 -19.8988 -4.5931 -4.5927 -3.7952 -3.7927 2.2735 2.2772 3.7942 3.7991 4.1142 4.1364 4.6865 4.7147 5.1597 5.1853 5.6755 5.6810 6.2591 6.3886 6.4668 6.4913 6.8269 6.9140 7.3306 7.4066 7.5180 7.6119 9.5372 9.5490 10.9139 10.9169 11.0094 11.0139 11.5525 11.5567 k = 0.4368 0.3982 0.3061 ( 3054 PWs) bands (ev): -41.4494 -41.4494 -20.4288 -20.4269 -19.9404 -19.9389 -19.9003 -19.8997 -4.5880 -4.5876 -3.7933 -3.7905 2.2921 2.2962 3.7947 3.8001 4.0817 4.1022 4.6956 4.7231 5.1609 5.1890 5.6492 5.6555 6.2469 6.3886 6.4590 6.4882 6.8337 6.9241 7.3028 7.3772 7.5050 7.5984 9.5764 9.5884 10.9044 10.9086 10.9877 10.9938 11.5456 11.5495 k = 0.4310 0.4081 0.3061 ( 3058 PWs) bands (ev): -41.4494 -41.4494 -20.4290 -20.4269 -19.9400 -19.9384 -19.9014 -19.9008 -4.5827 -4.5822 -3.7912 -3.7882 2.3122 2.3167 3.7916 3.7975 4.0521 4.0704 4.7042 4.7308 5.1621 5.1926 5.6215 5.6287 6.2347 6.3883 6.4504 6.4859 6.8412 6.9341 7.2758 7.3488 7.4904 7.5835 9.6172 9.6291 10.8927 10.8989 10.9657 10.9741 11.5424 11.5463 k = 0.4253 0.4181 0.3061 ( 3054 PWs) bands (ev): -41.4493 -41.4493 -20.4291 -20.4269 -19.9396 -19.9378 -19.9025 -19.9019 -4.5771 -4.5767 -3.7890 -3.7858 2.3336 2.3386 3.7829 3.7893 4.0275 4.0430 4.7124 4.7378 5.1631 5.1959 5.5929 5.6011 6.2227 6.3875 6.4414 6.4842 6.8493 6.9441 7.2502 7.3217 7.4745 7.5676 9.6593 9.6711 10.8775 10.8865 10.9445 10.9562 11.5432 11.5473 k = 0.4195 0.4280 0.3061 ( 3062 PWs) bands (ev): -41.4493 -41.4493 -20.4293 -20.4270 -19.9391 -19.9372 -19.9036 -19.9030 -4.5714 -4.5709 -3.7867 -3.7833 2.3563 2.3618 3.7667 3.7739 4.0097 4.0220 4.7201 4.7443 5.1638 5.1989 5.5635 5.5729 6.2108 6.3864 6.4321 6.4830 6.8578 6.9538 7.2264 7.2963 7.4571 7.5505 9.7025 9.7141 10.8581 10.8695 10.9259 10.9407 11.5483 11.5527 k = 0.4138 0.4380 0.3061 ( 3066 PWs) bands (ev): -41.4492 -41.4492 -20.4295 -20.4270 -19.9387 -19.9365 -19.9048 -19.9042 -4.5656 -4.5651 -3.7843 -3.7807 2.3801 2.3861 3.7425 3.7504 3.9997 4.0088 4.7273 4.7501 5.1641 5.2015 5.5340 5.5445 6.1992 6.3849 6.4229 6.4820 6.8666 6.9632 7.2049 7.2729 7.4386 7.5325 9.7468 9.7581 10.8345 10.8472 10.9104 10.9271 11.5577 11.5625 k = 0.4080 0.4479 0.3061 ( 3070 PWs) bands (ev): -41.4491 -41.4491 -20.4297 -20.4271 -19.9382 -19.9358 -19.9060 -19.9055 -4.5597 -4.5592 -3.7818 -3.7781 2.4048 2.4114 3.7111 3.7195 3.9966 4.0029 4.7340 4.7554 5.1639 5.2034 5.5047 5.5164 6.1880 6.3831 6.4139 6.4813 6.8755 6.9722 7.1858 7.2517 7.4191 7.5137 9.7919 9.8029 10.8078 10.8208 10.8970 10.9147 11.5714 11.5767 k = 0.4023 0.4579 0.3061 ( 3066 PWs) bands (ev): -41.4491 -41.4491 -20.4298 -20.4271 -19.9377 -19.9351 -19.9071 -19.9067 -4.5538 -4.5533 -3.7793 -3.7754 2.4303 2.4375 3.6744 3.6829 3.9988 4.0028 4.7402 4.7602 5.1630 5.2044 5.4762 5.4890 6.1774 6.3809 6.4055 6.4807 6.8844 6.9806 7.1696 7.2329 7.3988 7.4942 9.8380 9.8486 10.7788 10.7917 10.8841 10.9023 11.5893 11.5950 k = 0.3966 0.4679 0.3061 ( 3072 PWs) bands (ev): -41.4490 -41.4490 -20.4300 -20.4272 -19.9372 -19.9344 -19.9083 -19.9080 -4.5481 -4.5475 -3.7767 -3.7727 2.4564 2.4642 3.6344 3.6425 4.0044 4.0069 4.7459 4.7645 5.1612 5.2044 5.4491 5.4628 6.1672 6.3781 6.3979 6.4802 6.8931 6.9883 7.1564 7.2166 7.3781 7.4743 9.8847 9.8950 10.7483 10.7609 10.8708 10.8895 11.6110 11.6170 k = 0.3908 0.4778 0.3061 ( 3068 PWs) bands (ev): -41.4490 -41.4490 -20.4302 -20.4273 -19.9366 -19.9336 -19.9094 -19.9092 -4.5424 -4.5418 -3.7742 -3.7701 2.4827 2.4912 3.5927 3.6002 4.0123 4.0137 4.7511 4.7683 5.1585 5.2029 5.4239 5.4383 6.1578 6.3745 6.3915 6.4797 6.9014 6.9951 7.1463 7.2030 7.3571 7.4541 9.9321 9.9421 10.7168 10.7290 10.8568 10.8759 11.6361 11.6423 k = 0.3851 0.4878 0.3061 ( 3068 PWs) bands (ev): -41.4489 -41.4489 -20.4303 -20.4273 -19.9361 -19.9329 -19.9105 -19.9104 -4.5370 -4.5364 -3.7717 -3.7674 2.5090 2.5182 3.5505 3.5572 4.0214 4.0222 4.7559 4.7717 5.1545 5.1999 5.4012 5.4159 6.1491 6.3699 6.3866 6.4793 6.9091 7.0009 7.1393 7.1924 7.3361 7.4339 9.9799 9.9896 10.6846 10.6965 10.8419 10.8615 11.6638 11.6702 k = 0.3793 0.4977 0.3061 ( 3072 PWs) bands (ev): -41.4489 -41.4489 -20.4305 -20.4274 -19.9356 -19.9321 -19.9117 -19.9115 -4.5319 -4.5313 -3.7693 -3.7649 2.5349 2.5448 3.5089 3.5147 4.0310 4.0317 4.7602 4.7747 5.1494 5.1949 5.3818 5.3960 6.1411 6.3645 6.3831 6.4788 6.9160 7.0057 7.1350 7.1847 7.3155 7.4139 10.0280 10.0374 10.6522 10.6638 10.8262 10.8462 11.6934 11.6999 k = 0.3736 0.5077 0.3061 ( 3072 PWs) bands (ev): -41.4489 -41.4489 -20.4306 -20.4275 -19.9352 -19.9314 -19.9129 -19.9125 -4.5271 -4.5265 -3.7670 -3.7626 2.5599 2.5707 3.4688 3.4739 4.0405 4.0414 4.7640 4.7773 5.1431 5.1882 5.3657 5.3791 6.1339 6.3590 6.3804 6.4784 6.9219 7.0096 7.1333 7.1802 7.2955 7.3945 10.0761 10.0853 10.6197 10.6310 10.8098 10.8303 11.7240 11.7304 k = 0.3678 0.5176 0.3061 ( 3072 PWs) bands (ev): -41.4488 -41.4488 -20.4308 -20.4276 -19.9347 -19.9307 -19.9140 -19.9134 -4.5228 -4.5222 -3.7649 -3.7604 2.5834 2.5952 3.4313 3.4357 4.0498 4.0507 4.7673 4.7795 5.1359 5.1800 5.3532 5.3650 6.1277 6.3539 6.3784 6.4779 6.9269 7.0125 7.1336 7.1784 7.2765 7.3758 10.1239 10.1329 10.5875 10.5984 10.7932 10.8142 11.7544 11.7607 k = 0.3621 0.5276 0.3061 ( 3072 PWs) bands (ev): -41.4488 -41.4488 -20.4309 -20.4276 -19.9343 -19.9300 -19.9150 -19.9142 -4.5190 -4.5183 -3.7629 -3.7584 2.6050 2.6176 3.3971 3.4012 4.0583 4.0593 4.7702 4.7815 5.1282 5.1710 5.3438 5.3540 6.1223 6.3492 6.3767 6.4774 6.9309 7.0146 7.1359 7.1790 7.2589 7.3583 10.1708 10.1797 10.5559 10.5663 10.7765 10.7981 11.7835 11.7896 k = 0.3563 0.5375 0.3061 ( 3070 PWs) bands (ev): -41.4488 -41.4488 -20.4310 -20.4277 -19.9340 -19.9293 -19.9159 -19.9149 -4.5157 -4.5151 -3.7612 -3.7566 2.6239 2.6374 3.3672 3.3714 4.0657 4.0667 4.7726 4.7830 5.1206 5.1620 5.3370 5.3457 6.1179 6.3453 6.3754 6.4770 6.9341 7.0159 7.1398 7.1810 7.2430 7.3424 10.2161 10.2250 10.5254 10.5353 10.7604 10.7827 11.8100 11.8157 k = 0.3506 0.5475 0.3061 ( 3074 PWs) bands (ev): -41.4487 -41.4487 -20.4311 -20.4278 -19.9338 -19.9288 -19.9167 -19.9154 -4.5131 -4.5124 -3.7598 -3.7552 2.6393 2.6537 3.3427 3.3472 4.0719 4.0727 4.7744 4.7843 5.1138 5.1539 5.3323 5.3399 6.1145 6.3422 6.3744 6.4766 6.9366 7.0166 7.1448 7.1836 7.2295 7.3288 10.2583 10.2673 10.4968 10.5059 10.7456 10.7686 11.8325 11.8377 k = 0.3448 0.5574 0.3061 ( 3078 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9336 -19.9284 -19.9173 -19.9158 -4.5111 -4.5105 -3.7588 -3.7541 2.6507 2.6657 3.3244 3.3294 4.0765 4.0771 4.7757 4.7852 5.1083 5.1475 5.3292 5.3363 6.1120 6.3400 6.3736 6.4762 6.9384 7.0167 7.1502 7.1857 7.2189 7.3183 10.2951 10.3043 10.4719 10.4797 10.7330 10.7567 11.8496 11.8544 k = 0.3391 0.5674 0.3061 ( 3086 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4279 -19.9335 -19.9281 -19.9177 -19.9160 -4.5099 -4.5093 -3.7581 -3.7534 2.6576 2.6730 3.3133 3.3186 4.0794 4.0797 4.7765 4.7857 5.1047 5.1434 5.3274 5.3343 6.1105 6.3386 6.3731 6.4759 6.9395 7.0165 7.1545 7.1874 7.2117 7.3117 10.3220 10.3310 10.4545 10.4597 10.7240 10.7484 11.8603 11.8647 k = 0.3333 0.5774 0.3061 ( 3090 PWs) bands (ev): -41.4487 -41.4487 -20.4313 -20.4279 -19.9335 -19.9281 -19.9178 -19.9161 -4.5095 -4.5089 -3.7579 -3.7532 2.6599 2.6754 3.3096 3.3150 4.0804 4.0805 4.7768 4.7859 5.1034 5.1419 5.3268 5.3337 6.1100 6.3382 6.3729 6.4758 6.9399 7.0163 7.1561 7.1885 7.2088 7.3094 10.3321 10.3407 10.4494 10.4514 10.7205 10.7452 11.8639 11.8682 k = 0.3333 0.5774 0.3061 ( 3090 PWs) bands (ev): -41.4487 -41.4487 -20.4313 -20.4279 -19.9335 -19.9281 -19.9178 -19.9161 -4.5095 -4.5089 -3.7579 -3.7532 2.6599 2.6754 3.3096 3.3150 4.0804 4.0805 4.7768 4.7859 5.1034 5.1419 5.3268 5.3337 6.1100 6.3382 6.3729 6.4758 6.9399 7.0163 7.1561 7.1885 7.2088 7.3094 10.3321 10.3407 10.4494 10.4514 10.7205 10.7452 11.8639 11.8682 k = 0.3275 0.5672 0.3061 ( 3082 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9335 -19.9281 -19.9177 -19.9160 -4.5100 -4.5093 -3.7581 -3.7534 2.6577 2.6731 3.3133 3.3186 4.0793 4.0797 4.7765 4.7857 5.1048 5.1435 5.3274 5.3343 6.1106 6.3386 6.3731 6.4760 6.9394 7.0166 7.1548 7.1865 7.2124 7.3116 10.3235 10.3325 10.4525 10.4572 10.7248 10.7491 11.8603 11.8647 k = 0.3216 0.5571 0.3061 ( 3082 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9336 -19.9283 -19.9174 -19.9158 -4.5113 -4.5107 -3.7589 -3.7543 2.6516 2.6666 3.3241 3.3290 4.0763 4.0771 4.7757 4.7850 5.1091 5.1483 5.3290 5.3358 6.1120 6.3400 6.3737 6.4764 6.9379 7.0177 7.1517 7.1820 7.2215 7.3172 10.3045 10.3140 10.4579 10.4643 10.7385 10.7613 11.8497 11.8546 k = 0.3158 0.5470 0.3061 ( 3086 PWs) bands (ev): -41.4487 -41.4487 -20.4311 -20.4278 -19.9337 -19.9287 -19.9169 -19.9155 -4.5137 -4.5130 -3.7604 -3.7557 2.6425 2.6569 3.3409 3.3454 4.0717 4.0729 4.7742 4.7838 5.1162 5.1562 5.3316 5.3383 6.1143 6.3421 6.3746 6.4771 6.9351 7.0198 7.1473 7.1777 7.2333 7.3255 10.2818 10.2915 10.4593 10.4663 10.7612 10.7818 11.8333 11.8387 k = 0.3099 0.5368 0.3061 ( 3078 PWs) bands (ev): -41.4488 -41.4488 -20.4310 -20.4276 -19.9338 -19.9290 -19.9162 -19.9150 -4.5170 -4.5163 -3.7625 -3.7579 2.6313 2.6451 3.3629 3.3668 4.0655 4.0672 4.7723 4.7822 5.1262 5.1671 5.3351 5.3417 6.1175 6.3450 6.3761 6.4783 6.9313 7.0232 7.1414 7.1758 7.2465 7.3355 10.2583 10.2680 10.4551 10.4624 10.7908 10.8087 11.8122 11.8182 k = 0.3041 0.5267 0.3061 ( 3078 PWs) bands (ev): -41.4488 -41.4488 -20.4308 -20.4275 -19.9339 -19.9294 -19.9154 -19.9145 -4.5213 -4.5207 -3.7653 -3.7607 2.6192 2.6322 3.3889 3.3925 4.0582 4.0602 4.7697 4.7799 5.1387 5.1809 5.3395 5.3464 6.1214 6.3486 6.3779 6.4800 6.9267 7.0276 7.1343 7.1768 7.2602 7.3466 10.2350 10.2448 10.4461 10.4538 10.8246 10.8399 11.7875 11.7943 k = 0.2982 0.5166 0.3061 ( 3070 PWs) bands (ev): -41.4489 -41.4489 -20.4306 -20.4273 -19.9340 -19.9298 -19.9145 -19.9138 -4.5267 -4.5261 -3.7688 -3.7643 2.6069 2.6193 3.4179 3.4214 4.0500 4.0523 4.7665 4.7771 5.1536 5.1972 5.3448 5.3523 6.1260 6.3527 6.3804 6.4823 6.9215 7.0327 7.1269 7.1804 7.2743 7.3583 10.2126 10.2225 10.4339 10.4421 10.8601 10.8730 11.7606 11.7681 k = 0.2924 0.5064 0.3061 ( 3070 PWs) bands (ev): -41.4489 -41.4489 -20.4303 -20.4271 -19.9341 -19.9301 -19.9136 -19.9131 -4.5332 -4.5326 -3.7732 -3.7687 2.5953 2.6070 3.4491 3.4529 4.0412 4.0437 4.7628 4.7736 5.1704 5.2156 5.3510 5.3596 6.1311 6.3572 6.3834 6.4853 6.9162 7.0382 7.1201 7.1861 7.2883 7.3703 10.1914 10.2015 10.4197 10.4285 10.8955 10.9061 11.7324 11.7407 k = 0.2865 0.4963 0.3061 ( 3068 PWs) bands (ev): -41.4490 -41.4490 -20.4300 -20.4269 -19.9341 -19.9304 -19.9127 -19.9124 -4.5408 -4.5402 -3.7784 -3.7739 2.5850 2.5960 3.4819 3.4862 4.0322 4.0348 4.7585 4.7695 5.1888 5.2358 5.3585 5.3685 6.1367 6.3620 6.3871 6.4890 6.9110 7.0432 7.1150 7.1936 7.3023 7.3825 10.1717 10.1818 10.4044 10.4137 10.9292 10.9378 11.7039 11.7131 k = 0.2807 0.4862 0.3061 ( 3072 PWs) bands (ev): -41.4491 -41.4491 -20.4297 -20.4266 -19.9341 -19.9306 -19.9118 -19.9115 -4.5495 -4.5488 -3.7844 -3.7800 2.5763 2.5869 3.5157 3.5207 4.0233 4.0258 4.7535 4.7648 5.2084 5.2571 5.3673 5.3790 6.1426 6.3669 6.3916 6.4934 6.9061 7.0468 7.1125 7.2025 7.3160 7.3946 10.1534 10.1638 10.3887 10.3984 10.9601 10.9667 11.6761 11.6862 k = 0.2749 0.4761 0.3061 ( 3072 PWs) bands (ev): -41.4492 -41.4492 -20.4293 -20.4263 -19.9340 -19.9308 -19.9109 -19.9106 -4.5593 -4.5586 -3.7913 -3.7869 2.5699 2.5800 3.5500 3.5558 4.0148 4.0171 4.7481 4.7595 5.2288 5.2791 5.3780 5.3912 6.1488 6.3716 6.3971 6.4987 6.9018 7.0481 7.1136 7.2126 7.3293 7.4065 10.1368 10.1473 10.3730 10.3830 10.9872 10.9919 11.6498 11.6607 k = 0.2690 0.4659 0.3061 ( 3076 PWs) bands (ev): -41.4493 -41.4493 -20.4289 -20.4260 -19.9339 -19.9308 -19.9100 -19.9096 -4.5701 -4.5695 -3.7991 -3.7947 2.5658 2.5756 3.5845 3.5911 4.0070 4.0090 4.7421 4.7536 5.2497 5.3010 5.3909 5.4054 6.1551 6.3759 6.4039 6.5047 6.8982 7.0468 7.1184 7.2238 7.3422 7.4182 10.1218 10.1326 10.3578 10.3681 11.0097 11.0125 11.6257 11.6375 k = 0.2632 0.4558 0.3061 ( 3076 PWs) bands (ev): -41.4494 -41.4494 -20.4284 -20.4256 -19.9336 -19.9308 -19.9091 -19.9086 -4.5821 -4.5814 -3.8077 -3.8034 2.5645 2.5739 3.6188 3.6262 4.0003 4.0018 4.7356 4.7473 5.2707 5.3221 5.4067 5.4214 6.1615 6.3798 6.4119 6.5113 6.8954 7.0436 7.1262 7.2359 7.3547 7.4296 10.1085 10.1195 10.3432 10.3537 11.0270 11.0282 11.6044 11.6169 k = 0.2573 0.4457 0.3061 ( 3076 PWs) bands (ev): -41.4495 -41.4495 -20.4279 -20.4251 -19.9333 -19.9307 -19.9082 -19.9076 -4.5951 -4.5945 -3.8172 -3.8129 2.5660 2.5752 3.6524 3.6604 3.9948 3.9959 4.7287 4.7405 5.2917 5.3420 5.4256 5.4393 6.1680 6.3832 6.4212 6.5186 6.8936 7.0392 7.1362 7.2487 7.3667 7.4407 10.0968 10.1081 10.3296 10.3401 11.0383 11.0393 11.5862 11.5993 k = 0.2515 0.4355 0.3061 ( 3076 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4246 -19.9330 -19.9305 -19.9073 -19.9065 -4.6092 -4.6085 -3.8275 -3.8233 2.5704 2.5795 3.6848 3.6935 3.9904 3.9923 4.7215 4.7333 5.3124 5.3604 5.4474 5.4590 6.1744 6.3863 6.4316 6.5263 6.8926 7.0343 7.1476 7.2622 7.3782 7.4515 10.0868 10.0984 10.3171 10.3276 11.0436 11.0459 11.5711 11.5846 k = 0.2456 0.4254 0.3061 ( 3076 PWs) bands (ev): -41.4498 -41.4498 -20.4266 -20.4240 -19.9325 -19.9302 -19.9063 -19.9055 -4.6243 -4.6236 -3.8387 -3.8345 2.5778 2.5868 3.7155 3.7248 3.9877 3.9912 4.7140 4.7259 5.3328 5.3777 5.4717 5.4804 6.1808 6.3891 6.4432 6.5344 6.8926 7.0292 7.1600 7.2761 7.3893 7.4620 10.0783 10.0902 10.3058 10.3163 11.0442 11.0478 11.5588 11.5723 k = 0.2398 0.4153 0.3061 ( 3082 PWs) bands (ev): -41.4500 -41.4500 -20.4260 -20.4235 -19.9321 -19.9299 -19.9054 -19.9044 -4.6404 -4.6397 -3.8507 -3.8465 2.5882 2.5972 3.7438 3.7536 3.9872 3.9931 4.7065 4.7184 5.3529 5.3944 5.4978 5.5031 6.1870 6.3918 6.4556 6.5428 6.8935 7.0241 7.1729 7.2904 7.3998 7.4721 10.0714 10.0836 10.2958 10.3062 11.0411 11.0457 11.5486 11.5620 k = 0.2339 0.4052 0.3061 ( 3080 PWs) bands (ev): -41.4501 -41.4501 -20.4252 -20.4228 -19.9315 -19.9294 -19.9044 -19.9034 -4.6575 -4.6568 -3.8634 -3.8593 2.6017 2.6106 3.7690 3.7793 3.9898 3.9986 4.6990 4.7110 5.3730 5.4108 5.5249 5.5272 6.1932 6.3944 6.4691 6.5515 6.8953 7.0191 7.1863 7.3050 7.4099 7.4819 10.0660 10.0785 10.2872 10.2974 11.0352 11.0406 11.5399 11.5527 k = 0.2281 0.3950 0.3061 ( 3080 PWs) bands (ev): -41.4503 -41.4503 -20.4245 -20.4221 -19.9309 -19.9289 -19.9034 -19.9023 -4.6754 -4.6748 -3.8769 -3.8728 2.6181 2.6271 3.7904 3.8012 3.9960 4.0080 4.6916 4.7037 5.3930 5.4273 5.5508 5.5538 6.1994 6.3969 6.4833 6.5603 6.8978 7.0144 7.1999 7.3197 7.4196 7.4915 10.0621 10.0747 10.2799 10.2898 11.0276 11.0337 11.5317 11.5437 k = 0.2222 0.3849 0.3061 ( 3080 PWs) bands (ev): -41.4505 -41.4505 -20.4236 -20.4214 -19.9302 -19.9282 -19.9024 -19.9012 -4.6943 -4.6936 -3.8910 -3.8869 2.6375 2.6466 3.8074 3.8187 4.0064 4.0217 4.6846 4.6969 5.4131 5.4440 5.5760 5.5820 6.2055 6.3995 6.4983 6.5692 6.9010 7.0098 7.2135 7.3344 7.4289 7.5008 10.0595 10.0723 10.2738 10.2835 11.0195 11.0260 11.5234 11.5343 k = 0.2164 0.3748 0.3061 ( 3076 PWs) bands (ev): -41.4507 -41.4507 -20.4228 -20.4206 -19.9294 -19.9275 -19.9013 -19.9001 -4.7139 -4.7132 -3.9058 -3.9017 2.6597 2.6689 3.8200 3.8317 4.0210 4.0393 4.6781 4.6906 5.4333 5.4612 5.6011 5.6104 6.2116 6.4022 6.5140 6.5782 6.9048 7.0056 7.2270 7.3491 7.4378 7.5099 10.0583 10.0712 10.2690 10.2784 11.0116 11.0184 11.5144 11.5237 k = 0.2105 0.3646 0.3061 ( 3080 PWs) bands (ev): -41.4509 -41.4509 -20.4219 -20.4198 -19.9286 -19.9268 -19.9002 -19.8990 -4.7344 -4.7336 -3.9211 -3.9170 2.6846 2.6940 3.8287 3.8404 4.0394 4.0602 4.6724 4.6852 5.4537 5.4788 5.6262 5.6384 6.2178 6.4051 6.5301 6.5874 6.9091 7.0016 7.2403 7.3635 7.4463 7.5187 10.0584 10.0714 10.2651 10.2742 11.0049 11.0119 11.5040 11.5115 k = 0.2047 0.3545 0.3061 ( 3072 PWs) bands (ev): -41.4511 -41.4511 -20.4209 -20.4189 -19.9278 -19.9259 -19.8991 -19.8978 -4.7555 -4.7547 -3.9369 -3.9329 2.7122 2.7217 3.8343 3.8455 4.0608 4.0835 4.6676 4.6807 5.4744 5.4968 5.6510 5.6660 6.2241 6.4082 6.5466 6.5967 6.9138 6.9981 7.2534 7.3777 7.4546 7.5273 10.0597 10.0727 10.2621 10.2709 10.9997 11.0071 11.4918 11.4971 k = 0.1988 0.3444 0.3061 ( 3076 PWs) bands (ev): -41.4513 -41.4513 -20.4200 -20.4180 -19.9269 -19.9251 -19.8980 -19.8967 -4.7772 -4.7765 -3.9531 -3.9491 2.7423 2.7520 3.8372 3.8476 4.0842 4.1083 4.6639 4.6775 5.4953 5.5152 5.6753 5.6930 6.2306 6.4115 6.5633 6.6062 6.9189 6.9950 7.2661 7.3915 7.4625 7.5357 10.0622 10.0751 10.2597 10.2682 10.9965 11.0042 11.4771 11.4803 k = 0.1930 0.3343 0.3061 ( 3074 PWs) bands (ev): -41.4516 -41.4516 -20.4190 -20.4171 -19.9260 -19.9242 -19.8969 -19.8955 -4.7995 -4.7987 -3.9697 -3.9657 2.7748 2.7846 3.8381 3.8475 4.1087 4.1339 4.6615 4.6756 5.5165 5.5341 5.6989 5.7193 6.2373 6.4152 6.5797 6.6161 6.9243 6.9926 7.2785 7.4050 7.4701 7.5438 10.0657 10.0785 10.2579 10.2660 10.9953 11.0035 11.4580 11.4619 k = 0.1871 0.3241 0.3061 ( 3070 PWs) bands (ev): -41.4518 -41.4518 -20.4180 -20.4162 -19.9251 -19.9232 -19.8957 -19.8943 -4.8223 -4.8215 -3.9866 -3.9827 2.8095 2.8194 3.8372 3.8456 4.1338 4.1597 4.6607 4.6754 5.5380 5.5532 5.7217 5.7446 6.2445 6.4193 6.5952 6.6267 6.9300 6.9911 7.2906 7.4181 7.4774 7.5517 10.0701 10.0828 10.2562 10.2641 10.9961 11.0049 11.4342 11.4408 k = 0.1813 0.3140 0.3061 ( 3070 PWs) bands (ev): -41.4520 -41.4520 -20.4169 -20.4152 -19.9241 -19.9222 -19.8944 -19.8931 -4.8455 -4.8447 -4.0038 -3.9998 2.8463 2.8563 3.8348 3.8421 4.1588 4.1853 4.6616 4.6769 5.5596 5.5726 5.7436 5.7689 6.2520 6.4240 6.6090 6.6384 6.9359 6.9909 7.3023 7.4308 7.4844 7.5593 10.0753 10.0878 10.2547 10.2622 10.9984 11.0080 11.4071 11.4156 k = 0.1754 0.3039 0.3061 ( 3062 PWs) bands (ev): -41.4523 -41.4523 -20.4159 -20.4142 -19.9231 -19.9212 -19.8931 -19.8918 -4.8690 -4.8683 -4.0210 -4.0171 2.8849 2.8951 3.8311 3.8372 4.1833 4.2104 4.6645 4.6803 5.5813 5.5922 5.7645 5.7920 6.2601 6.4293 6.6206 6.6516 6.9420 6.9922 7.3139 7.4432 7.4912 7.5667 10.0810 10.0934 10.2530 10.2603 11.0015 11.0122 11.3779 11.3866 k = 0.1696 0.2937 0.3061 ( 3050 PWs) bands (ev): -41.4525 -41.4525 -20.4148 -20.4132 -19.9221 -19.9202 -19.8918 -19.8905 -4.8928 -4.8920 -4.0384 -4.0346 2.9254 2.9356 3.8262 3.8312 4.2071 4.2344 4.6693 4.6858 5.6032 5.6120 5.7842 5.8140 6.2690 6.4354 6.6297 6.6659 6.9484 6.9955 7.3253 7.4551 7.4978 7.5738 10.0870 10.0992 10.2510 10.2582 11.0044 11.0164 11.3486 11.3557 k = 0.1637 0.2836 0.3061 ( 3050 PWs) bands (ev): -41.4528 -41.4528 -20.4137 -20.4121 -19.9212 -19.9193 -19.8904 -19.8891 -4.9168 -4.9160 -4.0559 -4.0520 2.9673 2.9776 3.8201 3.8243 4.2297 4.2571 4.6762 4.6932 5.6249 5.6318 5.8028 5.8345 6.2787 6.4423 6.6369 6.6802 6.9549 7.0009 7.3367 7.4665 7.5043 7.5806 10.0931 10.1051 10.2484 10.2556 11.0063 11.0196 11.3202 11.3255 k = 0.1579 0.2735 0.3061 ( 3046 PWs) bands (ev): -41.4530 -41.4530 -20.4126 -20.4111 -19.9202 -19.9183 -19.8890 -19.8878 -4.9408 -4.9400 -4.0733 -4.0695 3.0107 3.0210 3.8130 3.8165 4.2510 4.2784 4.6852 4.7027 5.6463 5.6518 5.8201 5.8538 6.2894 6.4501 6.6426 6.6938 6.9621 7.0083 7.3484 7.4775 7.5110 7.5872 10.0989 10.1106 10.2452 10.2523 11.0062 11.0207 11.2935 11.2977 k = 0.1520 0.2634 0.3061 ( 3046 PWs) bands (ev): -41.4533 -41.4533 -20.4116 -20.4101 -19.9193 -19.9174 -19.8876 -19.8864 -4.9649 -4.9641 -4.0906 -4.0868 3.0551 3.0654 3.8050 3.8081 4.2708 4.2979 4.6962 4.7141 5.6672 5.6720 5.8361 5.8715 6.3013 6.4591 6.6469 6.7062 6.9702 7.0174 7.3605 7.4877 7.5182 7.5938 10.1040 10.1157 10.2409 10.2480 11.0036 11.0189 11.2684 11.2734 k = 0.1462 0.2532 0.3061 ( 3046 PWs) bands (ev): -41.4536 -41.4536 -20.4105 -20.4091 -19.9184 -19.9165 -19.8861 -19.8849 -4.9889 -4.9881 -4.1077 -4.1040 3.1005 3.1107 3.7963 3.7994 4.2889 4.3155 4.7091 4.7272 5.6871 5.6926 5.8508 5.8877 6.3145 6.4693 6.6502 6.7169 6.9796 7.0279 7.3732 7.4969 7.5265 7.6003 10.1084 10.1198 10.2354 10.2426 10.9986 11.0141 11.2459 11.2520 k = 0.1404 0.2431 0.3061 ( 3046 PWs) bands (ev): -41.4538 -41.4538 -20.4094 -20.4081 -19.9175 -19.9157 -19.8845 -19.8835 -5.0127 -5.0119 -4.1246 -4.1210 3.1466 3.1565 3.7872 3.7906 4.3053 4.3313 4.7234 4.7416 5.7063 5.7134 5.8643 5.9023 6.3291 6.4808 6.6525 6.7259 6.9904 7.0392 7.3867 7.5049 7.5362 7.6071 10.1116 10.1229 10.2285 10.2356 10.9915 11.0061 11.2268 11.2334 k = 0.1345 0.2330 0.3061 ( 3044 PWs) bands (ev): -41.4541 -41.4541 -20.4084 -20.4071 -19.9166 -19.9148 -19.8830 -19.8820 -5.0363 -5.0355 -4.1413 -4.1377 3.1929 3.2026 3.7780 3.7821 4.3200 4.3451 4.7388 4.7571 5.7248 5.7340 5.8765 5.9153 6.3453 6.4937 6.6542 6.7330 7.0027 7.0510 7.4011 7.5119 7.5474 7.6145 10.1135 10.1247 10.2199 10.2268 10.9823 10.9951 11.2119 11.2182 k = 0.1287 0.2228 0.3061 ( 3036 PWs) bands (ev): -41.4543 -41.4543 -20.4074 -20.4061 -19.9158 -19.9141 -19.8813 -19.8804 -5.0595 -5.0587 -4.1576 -4.1542 3.2392 3.2485 3.7692 3.7741 4.3330 4.3571 4.7548 4.7731 5.7426 5.7542 5.8876 5.9267 6.3632 6.5080 6.6555 6.7387 7.0163 7.0628 7.4164 7.5184 7.5600 7.6227 10.1139 10.1250 10.2096 10.2162 10.9708 10.9809 11.2026 11.2077 k = 0.1228 0.2127 0.3061 ( 3036 PWs) bands (ev): -41.4546 -41.4546 -20.4064 -20.4051 -19.9150 -19.9133 -19.8797 -19.8789 -5.0823 -5.0815 -4.1736 -4.1702 3.2849 3.2936 3.7615 3.7673 4.3444 4.3674 4.7708 4.7890 5.7598 5.7738 5.8974 5.9365 6.3826 6.5237 6.6565 6.7430 7.0308 7.0744 7.4325 7.5249 7.5737 7.6321 10.1125 10.1235 10.1977 10.2037 10.9561 10.9629 11.2000 11.2035 k = 0.1170 0.2026 0.3061 ( 3036 PWs) bands (ev): -41.4548 -41.4548 -20.4054 -20.4042 -19.9143 -19.9127 -19.8781 -19.8773 -5.1046 -5.1039 -4.1892 -4.1858 3.3293 3.3372 3.7556 3.7624 4.3543 4.3761 4.7863 4.8045 5.7764 5.7926 5.9061 5.9448 6.4034 6.5408 6.6575 6.7465 7.0457 7.0854 7.4490 7.5320 7.5883 7.6433 10.1093 10.1202 10.1845 10.1898 10.9374 10.9409 11.2050 11.2073 k = 0.1111 0.1925 0.3061 ( 3040 PWs) bands (ev): -41.4551 -41.4551 -20.4044 -20.4033 -19.9136 -19.9120 -19.8764 -19.8758 -5.1264 -5.1257 -4.2042 -4.2010 3.3713 3.3783 3.7524 3.7605 4.3628 4.3835 4.8007 4.8187 5.7923 5.8106 5.9138 5.9516 6.4256 6.5589 6.6589 6.7493 7.0609 7.0959 7.4657 7.5400 7.6039 7.6565 10.1040 10.1146 10.1705 10.1750 10.9139 10.9150 11.2176 11.2199 k = 0.1053 0.1823 0.3061 ( 3036 PWs) bands (ev): -41.4553 -41.4553 -20.4035 -20.4024 -19.9129 -19.9114 -19.8748 -19.8742 -5.1475 -5.1468 -4.2188 -4.2157 3.4096 3.4154 3.7535 3.7630 4.3701 4.3896 4.8134 4.8314 5.8075 5.8278 5.9205 5.9571 6.4488 6.5780 6.6609 6.7519 7.0760 7.1057 7.4822 7.5495 7.6205 7.6718 10.0961 10.1064 10.1563 10.1604 10.8847 10.8867 11.2381 11.2408 k = 0.0994 0.1722 0.3061 ( 3040 PWs) bands (ev): -41.4555 -41.4555 -20.4026 -20.4015 -19.9123 -19.9109 -19.8731 -19.8726 -5.1679 -5.1672 -4.2328 -4.2298 3.4427 3.4471 3.7604 3.7714 4.3764 4.3946 4.8240 4.8419 5.8220 5.8439 5.9263 5.9614 6.4726 6.5974 6.6638 6.7545 7.0907 7.1148 7.4984 7.5607 7.6385 7.6892 10.0855 10.0955 10.1424 10.1468 10.8516 10.8552 11.2662 11.2690 k = 0.0936 0.1621 0.3061 ( 3040 PWs) bands (ev): -41.4557 -41.4557 -20.4018 -20.4007 -19.9117 -19.9104 -19.8715 -19.8711 -5.1875 -5.1869 -4.2462 -4.2433 3.4689 3.4719 3.7747 3.7871 4.3816 4.3987 4.8320 4.8498 5.8359 5.8590 5.9313 5.9646 6.4967 6.6166 6.6680 6.7571 7.1047 7.1234 7.5146 7.5737 7.6582 7.7082 10.0723 10.0819 10.1292 10.1345 10.8158 10.8204 11.3009 11.3036 k = 0.0877 0.1519 0.3061 ( 3044 PWs) bands (ev): -41.4560 -41.4560 -20.4010 -20.4000 -19.9112 -19.9100 -19.8699 -19.8696 -5.2063 -5.2057 -4.2590 -4.2562 3.4874 3.4892 3.7972 3.8108 4.3861 4.4020 4.8371 4.8548 5.8490 5.8730 5.9355 5.9670 6.5206 6.6346 6.6741 6.7599 7.1177 7.1315 7.5315 7.5884 7.6794 7.7283 10.0572 10.0664 10.1168 10.1231 10.7778 10.7829 11.3415 11.3437 k = 0.0819 0.1418 0.3061 ( 3048 PWs) bands (ev): -41.4562 -41.4562 -20.4002 -20.3993 -19.9107 -19.9096 -19.8684 -19.8681 -5.2241 -5.2235 -4.2711 -4.2685 3.4985 3.4995 3.8277 3.8421 4.3898 4.4045 4.8390 4.8565 5.8614 5.8859 5.9391 5.9685 6.5439 6.6501 6.6833 6.7631 7.1292 7.1394 7.5499 7.6051 7.7021 7.7492 10.0412 10.0500 10.1050 10.1118 10.7381 10.7435 11.3872 11.3886 k = 0.0760 0.1317 0.3061 ( 3050 PWs) bands (ev): -41.4563 -41.4563 -20.3995 -20.3986 -19.9103 -19.9092 -19.8670 -19.8667 -5.2410 -5.2405 -4.2825 -4.2800 3.5036 3.5042 3.8648 3.8794 4.3929 4.4065 4.8376 4.8548 5.8732 5.8978 5.9421 5.9694 6.5661 6.6622 6.6958 6.7665 7.1386 7.1474 7.5707 7.6238 7.7257 7.7703 10.0251 10.0334 10.0932 10.1004 10.6973 10.7026 11.4369 11.4378 k = 0.0702 0.1215 0.3061 ( 3046 PWs) bands (ev): -41.4565 -41.4565 -20.3988 -20.3979 -19.9099 -19.9089 -19.8655 -19.8653 -5.2569 -5.2564 -4.2931 -4.2909 3.5043 3.5047 3.9066 3.9214 4.3955 4.4080 4.8326 4.8495 5.8843 5.9085 5.9447 5.9697 6.5869 6.6718 6.7104 6.7701 7.1455 7.1556 7.5943 7.6449 7.7497 7.7912 10.0096 10.0174 10.0811 10.0883 10.6558 10.6609 11.4899 11.4908 k = 0.0643 0.1114 0.3061 ( 3040 PWs) bands (ev): -41.4567 -41.4567 -20.3981 -20.3973 -19.9095 -19.9086 -19.8642 -19.8640 -5.2717 -5.2712 -4.3030 -4.3009 3.5023 3.5025 3.9518 3.9664 4.3976 4.4090 4.8240 4.8406 5.8948 5.9183 5.9468 5.9697 6.6061 6.6802 6.7253 6.7739 7.1505 7.1630 7.6210 7.6683 7.7736 7.8116 9.9951 10.0024 10.0683 10.0754 10.6144 10.6190 11.5453 11.5471 k = 0.0585 0.1013 0.3061 ( 3036 PWs) bands (ev): -41.4569 -41.4568 -20.3975 -20.3968 -19.9091 -19.9083 -19.8629 -19.8628 -5.2853 -5.2849 -4.3122 -4.3102 3.4985 3.4987 3.9991 4.0135 4.3994 4.4097 4.8120 4.8281 5.9046 5.9269 5.9485 5.9694 6.6236 6.6881 6.7395 6.7778 7.1541 7.1690 7.6506 7.6939 7.7969 7.8311 9.9820 9.9889 10.0548 10.0616 10.5736 10.5777 11.6030 11.6059 k = 0.0526 0.0912 0.3061 ( 3028 PWs) bands (ev): -41.4570 -41.4570 -20.3969 -20.3963 -19.9088 -19.9081 -19.8617 -19.8616 -5.2978 -5.2974 -4.3205 -4.3187 3.4937 3.4939 4.0476 4.0617 4.4008 4.4100 4.7964 4.8121 5.9137 5.9346 5.9500 5.9689 6.6395 6.6956 6.7525 6.7817 7.1565 7.1735 7.6827 7.7215 7.8193 7.8493 9.9705 9.9768 10.0404 10.0468 10.5342 10.5377 11.6626 11.6665 k = 0.0468 0.0810 0.3061 ( 3038 PWs) bands (ev): -41.4571 -41.4571 -20.3965 -20.3959 -19.9086 -19.9079 -19.8607 -19.8606 -5.3091 -5.3087 -4.3280 -4.3264 3.4885 3.4887 4.0965 4.1103 4.4020 4.4101 4.7776 4.7928 5.9220 5.9411 5.9512 5.9682 6.6537 6.7025 6.7640 6.7855 7.1580 7.1762 7.7164 7.7501 7.8406 7.8662 9.9606 9.9664 10.0252 10.0310 10.4970 10.4998 11.7234 11.7285 k = 0.0409 0.0709 0.3061 ( 3038 PWs) bands (ev): -41.4572 -41.4572 -20.3960 -20.3955 -19.9083 -19.9078 -19.8597 -19.8597 -5.3191 -5.3188 -4.3346 -4.3332 3.4833 3.4836 4.1454 4.1588 4.4030 4.4101 4.7558 4.7705 5.9296 5.9467 5.9523 5.9675 6.6665 6.7087 6.7740 6.7891 7.1587 7.1775 7.7507 7.7788 7.8605 7.8814 9.9523 9.9576 10.0093 10.0146 10.4628 10.4648 11.7852 11.7915 k = 0.0351 0.0608 0.3061 ( 3030 PWs) bands (ev): -41.4573 -41.4573 -20.3956 -20.3952 -19.9081 -19.9076 -19.8589 -19.8588 -5.3278 -5.3276 -4.3404 -4.3392 3.4785 3.4787 4.1937 4.2067 4.4039 4.4099 4.7312 4.7454 5.9365 5.9510 5.9535 5.9668 6.6781 6.7140 6.7825 6.7925 7.1591 7.1774 7.7843 7.8065 7.8791 7.8951 9.9457 9.9503 9.9931 9.9977 10.4322 10.4336 11.8475 11.8550 k = 0.0292 0.0506 0.3061 ( 3026 PWs) bands (ev): -41.4574 -41.4574 -20.3953 -20.3949 -19.9079 -19.9075 -19.8581 -19.8581 -5.3353 -5.3351 -4.3452 -4.3442 3.4741 3.4743 4.2409 4.2534 4.4047 4.4095 4.7044 4.7179 5.9425 5.9533 5.9555 5.9662 6.6884 6.7182 6.7895 6.7955 7.1592 7.1762 7.8156 7.8318 7.8961 7.9071 9.9405 9.9445 9.9772 9.9811 10.4057 10.4066 11.9099 11.9185 k = 0.0234 0.0405 0.3061 ( 3022 PWs) bands (ev): -41.4575 -41.4575 -20.3950 -20.3947 -19.9077 -19.9074 -19.8575 -19.8575 -5.3414 -5.3412 -4.3492 -4.3484 3.4704 3.4706 4.2862 4.2979 4.4054 4.4091 4.6761 4.6889 5.9477 5.9542 5.9579 5.9658 6.6974 6.7212 6.7951 6.7983 7.1594 7.1743 7.8431 7.8534 7.9115 7.9176 9.9366 9.9399 9.9624 9.9656 10.3837 10.3842 11.9719 11.9817 k = 0.0175 0.0304 0.3061 ( 3022 PWs) bands (ev): -41.4576 -41.4576 -20.3947 -20.3945 -19.9076 -19.9074 -19.8570 -19.8570 -5.3462 -5.3460 -4.3523 -4.3517 3.4674 3.4675 4.3285 4.3390 4.4062 4.4087 4.6476 4.6592 5.9517 5.9549 5.9596 5.9656 6.7051 6.7230 6.7992 6.8006 7.1599 7.1718 7.8653 7.8704 7.9247 7.9269 9.9339 9.9364 9.9495 9.9519 10.3666 10.3668 12.0329 12.0437 k = 0.0117 0.0203 0.3061 ( 3020 PWs) bands (ev): -41.4576 -41.4576 -20.3945 -20.3944 -19.9075 -19.9073 -19.8567 -19.8567 -5.3496 -5.3495 -4.3545 -4.3541 3.4652 3.4653 4.3657 4.3740 4.4071 4.4083 4.6213 4.6309 5.9544 5.9554 5.9609 5.9653 6.7115 6.7235 6.8020 6.8024 7.1608 7.1692 7.8809 7.8826 7.9344 7.9354 9.9323 9.9339 9.9396 9.9413 10.3543 10.3543 12.0917 12.1030 k = 0.0058 0.0101 0.3061 ( 3018 PWs) bands (ev): -41.4576 -41.4576 -20.3944 -20.3943 -19.9074 -19.9073 -19.8565 -19.8565 -5.3516 -5.3516 -4.3558 -4.3556 3.4639 3.4639 4.3938 4.3973 4.4081 4.4094 4.6019 4.6077 5.9557 5.9558 5.9624 5.9648 6.7166 6.7226 6.8035 6.8036 7.1622 7.1665 7.8898 7.8900 7.9405 7.9414 9.9315 9.9322 9.9336 9.9344 10.3469 10.3469 12.1446 12.1542 k = 0.0000 0.0000 0.3061 ( 3014 PWs) bands (ev): -41.4576 -41.4576 -20.3943 -20.3943 -19.9073 -19.9073 -19.8564 -19.8564 -5.3523 -5.3523 -4.3562 -4.3562 3.4634 3.4634 4.4035 4.4035 4.4112 4.4112 4.5963 4.5963 5.9560 5.9560 5.9638 5.9638 6.7203 6.7203 6.8041 6.8041 7.1642 7.1642 7.8926 7.8926 7.9431 7.9431 9.9312 9.9312 9.9320 9.9320 10.3445 10.3445 12.1752 12.1752 k = 0.5000 0.2887 0.3061 ( 3068 PWs) bands (ev): -41.4497 -41.4497 -20.4274 -20.4274 -19.9424 -19.9424 -19.8940 -19.8940 -4.6195 -4.6195 -3.8044 -3.8044 2.1821 2.1821 3.7663 3.7663 4.3579 4.3579 4.6201 4.6201 5.1572 5.1572 5.8147 5.8147 6.3565 6.3565 6.5166 6.5166 6.8222 6.8222 7.5337 7.5337 7.6565 7.6565 9.3121 9.3121 10.9775 10.9775 11.1206 11.1206 11.7424 11.7424 k = 0.5000 0.2887 0.2943 ( 3068 PWs) bands (ev): -41.4497 -41.4497 -20.4274 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6194 -4.6194 -3.8045 -3.8045 2.1829 2.1832 3.7674 3.7677 4.3577 4.3578 4.6193 4.6199 5.1559 5.1560 5.8144 5.8160 6.3545 6.3588 6.5152 6.5184 6.8195 6.8243 7.5263 7.5339 7.6537 7.6561 9.3136 9.3145 10.9777 10.9777 11.1205 11.1207 11.7440 11.7442 k = 0.5000 0.2887 0.2826 ( 3052 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6193 -4.6192 -3.8050 -3.8049 2.1856 2.1861 3.7708 3.7714 4.3574 4.3576 4.6174 4.6187 5.1520 5.1523 5.8152 5.8183 6.3528 6.3614 6.5140 6.5204 6.8163 6.8259 7.5119 7.5269 7.6481 7.6528 9.3189 9.3206 10.9783 10.9784 11.1206 11.1211 11.7489 11.7494 k = 0.5000 0.2887 0.2708 ( 3048 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6191 -4.6190 -3.8057 -3.8055 2.1901 2.1908 3.7765 3.7774 4.3569 4.3571 4.6145 4.6164 5.1455 5.1460 5.8169 5.8216 6.3514 6.3642 6.5131 6.5228 6.8126 6.8268 7.4905 7.5129 7.6397 7.6467 9.3277 9.3301 10.9793 10.9795 11.1209 11.1215 11.7572 11.7579 k = 0.5000 0.2887 0.2590 ( 3056 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6188 -4.6187 -3.8067 -3.8065 2.1963 2.1972 3.7846 3.7857 4.3561 4.3564 4.6105 4.6130 5.1365 5.1371 5.8196 5.8258 6.3503 6.3671 6.5125 6.5253 6.8083 6.8271 7.4625 7.4920 7.6291 7.6379 9.3396 9.3425 10.9807 10.9809 11.1213 11.1221 11.7687 11.7696 k = 0.5000 0.2887 0.2472 ( 3056 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6185 -4.6183 -3.8079 -3.8077 2.2042 2.2054 3.7949 3.7964 4.3552 4.3555 4.6056 4.6087 5.1251 5.1259 5.8233 5.8308 6.3497 6.3701 6.5121 6.5282 6.8036 6.8268 7.4286 7.4649 7.6164 7.6269 9.3541 9.3576 10.9824 10.9826 11.1218 11.1229 11.7834 11.7846 k = 0.5000 0.2887 0.2355 ( 3056 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6181 -4.6179 -3.8094 -3.8091 2.2138 2.2151 3.8076 3.8093 4.3540 4.3544 4.5997 4.6033 5.1113 5.1123 5.8278 5.8367 6.3494 6.3731 6.5120 6.5314 6.7985 6.8260 7.3893 7.4322 7.6019 7.6139 9.3708 9.3746 10.9844 10.9845 11.1224 11.1237 11.8012 11.8025 k = 0.5000 0.2887 0.2237 ( 3056 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6176 -4.6174 -3.8110 -3.8107 2.2248 2.2264 3.8224 3.8244 4.3528 4.3532 4.5929 4.5970 5.0952 5.0964 5.8332 5.8432 6.3496 6.3762 6.5121 6.5349 6.7931 6.8246 7.3457 7.3949 7.5857 7.5989 9.3890 9.3930 10.9865 10.9867 11.1231 11.1246 11.8219 11.8233 k = 0.5000 0.2887 0.2119 ( 3048 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8939 -19.8939 -4.6170 -4.6168 -3.8129 -3.8126 2.2373 2.2390 3.8395 3.8417 4.3514 4.3519 4.5851 4.5897 5.0770 5.0784 5.8394 5.8505 6.3502 6.3793 6.5124 6.5387 6.7874 6.8227 7.2985 7.3539 7.5681 7.5823 9.4083 9.4124 10.9888 10.9890 11.1240 11.1256 11.8453 11.8469 k = 0.5000 0.2887 0.2001 ( 3044 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8939 -19.8939 -4.6164 -4.6161 -3.8149 -3.8146 2.2510 2.2529 3.8587 3.8611 4.3499 4.3505 4.5766 4.5815 5.0568 5.0583 5.8462 5.8583 6.3512 6.3823 6.5129 6.5429 6.7815 6.8202 7.2485 7.3103 7.5492 7.5642 9.4280 9.4321 10.9911 10.9913 11.1249 11.1267 11.8711 11.8728 k = 0.5000 0.2887 0.1884 ( 3054 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6157 -4.6155 -3.8171 -3.8167 2.2658 2.2678 3.8800 3.8826 4.3483 4.3489 4.5673 4.5725 5.0346 5.0362 5.8535 5.8665 6.3526 6.3850 6.5136 6.5473 6.7753 6.8172 7.1968 7.2649 7.5291 7.5448 9.4478 9.4518 10.9934 10.9937 11.1258 11.1278 11.8992 11.9009 k = 0.5000 0.2887 0.1766 ( 3058 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6151 -4.6148 -3.8193 -3.8189 2.2815 2.2836 3.9032 3.9060 4.3466 4.3472 4.5573 4.5628 5.0106 5.0124 5.8613 5.8750 6.3544 6.3877 6.5144 6.5520 6.7691 6.8135 7.1443 7.2187 7.5080 7.5243 9.4673 9.4712 10.9957 10.9960 11.1268 11.1289 11.9292 11.9309 k = 0.5000 0.2887 0.1648 ( 3058 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6143 -4.6141 -3.8216 -3.8213 2.2979 2.3000 3.9284 3.9313 4.3450 4.3455 4.5468 4.5524 4.9849 4.9868 5.8695 5.8836 6.3567 6.3901 6.5152 6.5571 6.7628 6.8093 7.0917 7.1726 7.4863 7.5030 9.4862 9.4899 10.9980 10.9982 11.1278 11.1300 11.9607 11.9623 k = 0.5000 0.2887 0.1531 ( 3058 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6136 -4.6133 -3.8240 -3.8236 2.3148 2.3170 3.9553 3.9583 4.3433 4.3439 4.5358 4.5415 4.9578 4.9597 5.8779 5.8924 6.3593 6.3923 6.5161 6.5624 6.7565 6.8041 7.0402 7.1274 7.4641 7.4811 9.5043 9.5077 11.0001 11.0003 11.1289 11.1311 11.9933 11.9947 k = 0.5000 0.2887 0.1413 ( 3064 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6129 -4.6126 -3.8263 -3.8260 2.3319 2.3342 3.9839 3.9869 4.3416 4.3422 4.5244 4.5302 4.9292 4.9312 5.8864 5.9010 6.3623 6.3942 6.5168 6.5680 6.7501 6.7977 6.9909 7.0838 7.4417 7.4588 9.5213 9.5245 11.0021 11.0023 11.1299 11.1321 12.0266 12.0267 k = 0.5000 0.2887 0.1295 ( 3064 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6121 -4.6119 -3.8287 -3.8283 2.3491 2.3513 4.0139 4.0171 4.3400 4.3405 4.5130 4.5186 4.8993 4.9014 5.8949 5.9095 6.3656 6.3958 6.5174 6.5738 6.7438 6.7893 6.9453 7.0426 7.4194 7.4365 9.5371 9.5401 11.0040 11.0042 11.1309 11.1331 12.0434 12.0563 k = 0.5000 0.2887 0.1177 ( 3064 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6114 -4.6112 -3.8309 -3.8305 2.3660 2.3682 4.0454 4.0485 4.3385 4.3389 4.5015 4.5070 4.8684 4.8704 5.9033 5.9175 6.3692 6.3971 6.5178 6.5797 6.7375 6.7775 6.9055 7.0044 7.3975 7.4144 9.5517 9.5544 11.0057 11.0059 11.1318 11.1340 12.0382 12.0496 k = 0.5000 0.2887 0.1060 ( 3064 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6107 -4.6105 -3.8330 -3.8327 2.3825 2.3846 4.0779 4.0810 4.3370 4.3374 4.4902 4.4954 4.8366 4.8386 5.9115 5.9251 6.3729 6.3982 6.5179 6.5855 6.7313 6.7606 6.8738 6.9696 7.3764 7.3929 9.5649 9.5673 11.0072 11.0074 11.1328 11.1348 12.0312 12.0409 k = 0.5000 0.2887 0.0942 ( 3064 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6101 -4.6098 -3.8350 -3.8347 2.3982 2.4002 4.1114 4.1143 4.3357 4.3360 4.4793 4.4842 4.8041 4.8059 5.9192 5.9321 6.3768 6.3990 6.5177 6.5908 6.7251 6.7383 6.8517 6.9386 7.3563 7.3721 9.5767 9.5789 11.0086 11.0088 11.1336 11.1356 12.0241 12.0324 k = 0.5000 0.2887 0.0824 ( 3058 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6095 -4.6092 -3.8369 -3.8366 2.4128 2.4147 4.1453 4.1482 4.3345 4.3347 4.4691 4.4736 4.7713 4.7729 5.9265 5.9384 6.3808 6.3995 6.5172 6.5948 6.7132 6.7190 6.8375 6.9117 7.3377 7.3525 9.5872 9.5890 11.0098 11.0100 11.1344 11.1362 12.0176 12.0246 k = 0.5000 0.2887 0.0706 ( 3058 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6089 -4.6087 -3.8385 -3.8383 2.4262 2.4278 4.1794 4.1821 4.3335 4.3336 4.4596 4.4637 4.7384 4.7398 5.9332 5.9439 6.3846 6.3999 6.5165 6.5960 6.6897 6.7129 6.8287 6.8889 7.3208 7.3344 9.5962 9.5978 11.0109 11.0110 11.1352 11.1367 12.0117 12.0175 k = 0.5000 0.2887 0.0589 ( 3062 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6084 -4.6083 -3.8400 -3.8398 2.4380 2.4394 4.2129 4.2154 4.3326 4.3326 4.4512 4.4547 4.7060 4.7072 5.9392 5.9484 6.3883 6.4002 6.5160 6.5921 6.6726 6.7068 6.8232 6.8700 7.3060 7.3180 9.6038 9.6051 11.0118 11.0119 11.1358 11.1372 12.0066 12.0114 k = 0.5000 0.2887 0.0471 ( 3058 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6080 -4.6079 -3.8412 -3.8410 2.4480 2.4492 4.2450 4.2473 4.3319 4.3320 4.4440 4.4469 4.6751 4.6760 5.9445 5.9521 6.3916 6.4005 6.5160 6.5819 6.6645 6.7008 6.8199 6.8547 7.2937 7.3038 9.6100 9.6111 11.0125 11.0126 11.1364 11.1375 12.0025 12.0063 k = 0.5000 0.2887 0.0353 ( 3060 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6077 -4.6076 -3.8421 -3.8420 2.4561 2.4570 4.2744 4.2764 4.3313 4.3317 4.4381 4.4404 4.6468 4.6474 5.9489 5.9547 6.3946 6.4007 6.5169 6.5678 6.6636 6.6948 6.8183 6.8428 7.2841 7.2920 9.6149 9.6157 11.0130 11.0131 11.1369 11.1377 11.9994 12.0022 k = 0.5000 0.2887 0.0235 ( 3060 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6074 -4.6074 -3.8428 -3.8427 2.4620 2.4627 4.2987 4.3004 4.3313 4.3319 4.4337 4.4353 4.6231 4.6235 5.9523 5.9563 6.3970 6.4007 6.5193 6.5534 6.6666 6.6888 6.8182 6.8337 7.2775 7.2830 9.6184 9.6189 11.0134 11.0135 11.1373 11.1378 11.9972 11.9991 k = 0.5000 0.2887 0.0118 ( 3054 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9424 -19.9424 -19.8940 -19.8940 -4.6073 -4.6072 -3.8432 -3.8432 2.4657 2.4660 4.3146 4.3159 4.3324 4.3330 4.4311 4.4319 4.6068 4.6070 5.9549 5.9569 6.3988 6.4005 6.5238 6.5408 6.6714 6.6829 6.8195 6.8270 7.2741 7.2768 9.6205 9.6208 11.0137 11.0137 11.1375 11.1378 11.9961 11.9970 k = 0.5000 0.2887-0.0000 ( 3038 PWs) bands (ev): -41.4497 -41.4497 -20.4273 -20.4273 -19.9423 -19.9423 -19.8939 -19.8939 -4.6072 -4.6072 -3.8433 -3.8433 2.4671 2.4671 4.3201 4.3201 4.3340 4.3340 4.4305 4.4305 4.6011 4.6011 5.9564 5.9564 6.4000 6.4000 6.5309 6.5309 6.6770 6.6770 6.8224 6.8224 7.2739 7.2739 9.6214 9.6214 11.0138 11.0138 11.1377 11.1377 11.9961 11.9961 k = 0.3333 0.5774-0.0000 ( 3036 PWs) bands (ev): -41.4487 -41.4487 -20.4311 -20.4277 -19.9334 -19.9279 -19.9177 -19.9159 -4.5106 -4.5101 -3.7716 -3.7665 3.0077 3.0350 3.2616 3.2683 4.5409 4.5452 4.5620 4.5741 4.6936 4.7049 5.0073 5.0590 6.1360 6.3580 6.4796 6.5805 6.6917 6.6939 6.9866 7.1818 7.3624 7.4480 10.3680 10.3710 10.7730 10.7954 10.9472 10.9719 11.2155 11.2257 k = 0.3333 0.5774 0.0118 ( 3036 PWs) bands (ev): -41.4487 -41.4487 -20.4311 -20.4277 -19.9334 -19.9279 -19.9177 -19.9159 -4.5106 -4.5100 -3.7715 -3.7665 3.0062 3.0334 3.2618 3.2684 4.5422 4.5462 4.5540 4.5643 4.7038 4.7137 5.0076 5.0592 6.1360 6.3579 6.4801 6.5822 6.6907 6.6944 6.9874 7.1823 7.3610 7.4466 10.3684 10.3714 10.7727 10.7951 10.9424 10.9665 11.2209 11.2304 k = 0.3333 0.5774 0.0235 ( 3042 PWs) bands (ev): -41.4487 -41.4487 -20.4311 -20.4277 -19.9334 -19.9280 -19.9177 -19.9159 -4.5106 -4.5100 -3.7714 -3.7664 3.0015 3.0285 3.2623 3.2689 4.5326 4.5411 4.5460 4.5504 4.7281 4.7358 5.0085 5.0600 6.1358 6.3578 6.4816 6.5872 6.6877 6.6960 6.9897 7.1839 7.3569 7.4426 10.3694 10.3724 10.7719 10.7944 10.9290 10.9515 11.2358 11.2438 k = 0.3333 0.5774 0.0353 ( 3051 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9177 -19.9160 -4.5106 -4.5100 -3.7711 -3.7661 2.9938 3.0205 3.2631 3.2697 4.5060 4.5126 4.5522 4.5562 4.7587 4.7647 5.0100 5.0614 6.1355 6.3576 6.4837 6.5956 6.6828 6.6988 6.9933 7.1865 7.3500 7.4361 10.3712 10.3741 10.7706 10.7931 10.9089 10.9295 11.2577 11.2638 k = 0.3333 0.5774 0.0471 ( 3051 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9177 -19.9160 -4.5106 -4.5100 -3.7708 -3.7658 2.9833 3.0096 3.2643 3.2709 4.4768 4.4821 4.5607 4.5641 4.7920 4.7969 5.0120 5.0632 6.1351 6.3573 6.4862 6.6071 6.6762 6.7035 6.9982 7.1901 7.3407 7.4271 10.3736 10.3765 10.7688 10.7914 10.8840 10.9030 11.2841 11.2886 k = 0.3333 0.5774 0.0589 ( 3057 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9177 -19.9160 -4.5105 -4.5100 -3.7704 -3.7654 2.9704 2.9960 3.2658 3.2723 4.4469 4.4512 4.5711 4.5739 4.8266 4.8308 5.0147 5.0656 6.1346 6.3570 6.4885 6.6218 6.6682 6.7102 7.0041 7.1946 7.3290 7.4159 10.3766 10.3794 10.7666 10.7893 10.8560 10.8734 11.3134 11.3165 k = 0.3333 0.5774 0.0706 ( 3057 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9177 -19.9160 -4.5105 -4.5099 -3.7699 -3.7649 2.9552 2.9802 3.2675 3.2741 4.4169 4.4206 4.5831 4.5852 4.8616 4.8656 5.0179 5.0685 6.1340 6.3566 6.4901 6.6394 6.6590 6.7197 7.0107 7.1998 7.3151 7.4027 10.3801 10.3828 10.7639 10.7868 10.8259 10.8420 11.3446 11.3466 k = 0.3333 0.5774 0.0824 ( 3057 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9177 -19.9160 -4.5104 -4.5099 -3.7693 -3.7643 2.9382 2.9625 3.2696 3.2761 4.3873 4.3905 4.5965 4.5978 4.8967 4.9006 5.0216 5.0719 6.1333 6.3561 6.4905 6.6487 6.6598 6.7323 7.0179 7.2058 7.2994 7.3877 10.3840 10.3866 10.7608 10.7841 10.7945 10.8094 11.3771 11.3781 k = 0.3333 0.5774 0.0942 ( 3057 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9177 -19.9160 -4.5104 -4.5098 -3.7686 -3.7637 2.9196 2.9432 3.2718 3.2783 4.3585 4.3613 4.6108 4.6112 4.9315 4.9356 5.0257 5.0758 6.1325 6.3555 6.4894 6.6376 6.6828 6.7482 7.0252 7.2123 7.2821 7.3713 10.3883 10.3908 10.7551 10.7646 10.7760 10.7811 11.4104 11.4107 k = 0.3333 0.5774 0.1060 ( 3057 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9177 -19.9160 -4.5103 -4.5097 -3.7679 -3.7630 2.8999 2.9228 3.2743 3.2807 4.3306 4.3330 4.6253 4.6257 4.9658 4.9704 5.0303 5.0802 6.1315 6.3548 6.4866 6.6259 6.7080 6.7675 7.0325 7.2193 7.2636 7.3538 10.3929 10.3953 10.7273 10.7422 10.7560 10.7781 11.4439 11.4442 k = 0.3333 0.5774 0.1177 ( 3063 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9178 -19.9160 -4.5103 -4.5097 -3.7672 -3.7623 2.8794 2.9016 3.2769 3.2832 4.3038 4.3059 4.6397 4.6409 4.9992 5.0046 5.0353 5.0852 6.1304 6.3540 6.4821 6.6137 6.7350 6.7899 7.0395 7.2266 7.2442 7.3356 10.3977 10.4000 10.6942 10.7081 10.7523 10.7749 11.4775 11.4784 k = 0.3333 0.5774 0.1295 ( 3057 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9177 -19.9160 -4.5102 -4.5096 -3.7664 -3.7615 2.8585 2.8799 3.2797 3.2859 4.2782 4.2799 4.6541 4.6562 5.0313 5.0382 5.0405 5.0912 6.1292 6.3531 6.4762 6.6012 6.7636 6.8152 7.0461 7.2245 7.2341 7.3171 10.4026 10.4047 10.6608 10.6741 10.7489 10.7717 11.5114 11.5126 k = 0.3333 0.5774 0.1413 ( 3054 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9177 -19.9160 -4.5101 -4.5095 -3.7656 -3.7607 2.8375 2.8582 3.2825 3.2887 4.2538 4.2554 4.6683 4.6711 5.0461 5.0606 5.0709 5.0992 6.1280 6.3522 6.4691 6.5887 6.7930 6.8427 7.0518 7.2048 7.2418 7.2989 10.4075 10.4095 10.6275 10.6404 10.7456 10.7686 11.5452 11.5469 k = 0.3333 0.5774 0.1531 ( 3060 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9178 -19.9160 -4.5101 -4.5095 -3.7647 -3.7599 2.8166 2.8367 3.2854 3.2915 4.2308 4.2321 4.6821 4.6857 5.0518 5.0830 5.1025 5.1131 6.1266 6.3511 6.4609 6.5762 6.8227 6.8721 7.0563 7.1856 7.2494 7.2814 10.4124 10.4142 10.5946 10.6071 10.7424 10.7656 11.5789 11.5809 k = 0.3333 0.5774 0.1648 ( 3060 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9178 -19.9160 -4.5100 -4.5094 -3.7639 -3.7591 2.7963 2.8157 3.2883 3.2943 4.2093 4.2104 4.6953 4.6997 5.0576 5.0954 5.1329 5.1358 6.1251 6.3500 6.4521 6.5639 6.8519 6.9027 7.0595 7.1678 7.2569 7.2651 10.4172 10.4188 10.5624 10.5746 10.7393 10.7627 11.6121 11.6144 k = 0.3333 0.5774 0.1766 ( 3069 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9178 -19.9160 -4.5099 -4.5093 -3.7631 -3.7583 2.7767 2.7955 3.2912 3.2971 4.1893 4.1902 4.7078 4.7128 5.0634 5.1031 5.1618 5.1618 6.1234 6.3487 6.4428 6.5518 6.8796 6.9339 7.0609 7.1520 7.2506 7.2642 10.4218 10.4231 10.5310 10.5431 10.7364 10.7600 11.6448 11.6473 k = 0.3333 0.5774 0.1884 ( 3060 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9178 -19.9160 -4.5099 -4.5092 -3.7623 -3.7575 2.7580 2.7763 3.2940 3.2998 4.1708 4.1715 4.7194 4.7251 5.0692 5.1094 5.1875 5.1892 6.1218 6.3475 6.4333 6.5403 6.9046 6.9653 7.0605 7.1395 7.2383 7.2712 10.4262 10.4271 10.5009 10.5129 10.7337 10.7575 11.6765 11.6793 k = 0.3333 0.5774 0.2001 ( 3060 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9178 -19.9160 -4.5098 -4.5092 -3.7615 -3.7568 2.7406 2.7583 3.2966 3.3024 4.1539 4.1545 4.7301 4.7364 5.0747 5.1150 5.2120 5.2147 6.1201 6.3462 6.4239 6.5293 6.9253 6.9960 7.0580 7.1314 7.2284 7.2778 10.4304 10.4305 10.4722 10.4846 10.7312 10.7552 11.7071 11.7101 k = 0.3333 0.5774 0.2119 ( 3060 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9178 -19.9160 -4.5097 -4.5091 -3.7608 -3.7561 2.7245 2.7418 3.2991 3.3048 4.1387 4.1392 4.7398 4.7467 5.0801 5.1202 5.2347 5.2383 6.1184 6.3449 6.4147 6.5190 6.9404 7.0256 7.0538 7.1288 7.2209 7.2840 10.4322 10.4342 10.4454 10.4595 10.7290 10.7531 11.7361 11.7393 k = 0.3333 0.5774 0.2237 ( 3066 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9178 -19.9160 -4.5097 -4.5091 -3.7602 -3.7554 2.7099 2.7268 3.3014 3.3071 4.1252 4.1256 4.7484 4.7558 5.0851 5.1249 5.2553 5.2596 6.1168 6.3436 6.4059 6.5095 6.9491 7.0481 7.0533 7.1320 7.2157 7.2896 10.4207 10.4249 10.4376 10.4452 10.7270 10.7512 11.7631 11.7666 k = 0.3333 0.5774 0.2355 ( 3066 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9178 -19.9160 -4.5096 -4.5090 -3.7596 -3.7548 2.6970 2.7135 3.3035 3.3091 4.1134 4.1137 4.7559 4.7637 5.0896 5.1292 5.2737 5.2786 6.1152 6.3423 6.3979 6.5010 6.9523 7.0417 7.0787 7.1402 7.2124 7.2947 10.3984 10.4060 10.4406 10.4445 10.7253 10.7496 11.7879 11.7915 k = 0.3333 0.5774 0.2472 ( 3078 PWs) bands (ev): -41.4487 -41.4487 -20.4312 -20.4278 -19.9334 -19.9280 -19.9178 -19.9161 -4.5096 -4.5090 -3.7591 -3.7544 2.6858 2.7021 3.3053 3.3108 4.1034 4.1036 4.7623 4.7705 5.0936 5.1329 5.2895 5.2950 6.1138 6.3412 6.3906 6.4935 6.9515 7.0351 7.1012 7.1510 7.2104 7.2990 10.3789 10.3872 10.4432 10.4461 10.7238 10.7483 11.8099 11.8137 k = 0.3333 0.5774 0.2590 ( 3090 PWs) bands (ev): -41.4487 -41.4487 -20.4313 -20.4279 -19.9335 -19.9281 -19.9179 -19.9161 -4.5096 -4.5089 -3.7586 -3.7539 2.6766 2.6926 3.3068 3.3123 4.0952 4.0953 4.7674 4.7760 5.0970 5.1361 5.3027 5.3087 6.1125 6.3401 6.3844 6.4873 6.9488 7.0289 7.1203 7.1626 7.2094 7.3027 10.3624 10.3710 10.4454 10.4479 10.7226 10.7472 11.8286 11.8326 k = 0.3333 0.5774 0.2708 ( 3090 PWs) bands (ev): -41.4487 -41.4487 -20.4313 -20.4279 -19.9335 -19.9281 -19.9179 -19.9161 -4.5095 -4.5089 -3.7583 -3.7536 2.6693 2.6851 3.3080 3.3134 4.0888 4.0888 4.7715 4.7803 5.0998 5.1386 5.3132 5.3196 6.1115 6.3393 6.3795 6.4823 6.9455 7.0237 7.1357 7.1731 7.2089 7.3056 10.3493 10.3580 10.4471 10.4494 10.7217 10.7463 11.8438 11.8478 k = 0.3333 0.5774 0.2826 ( 3090 PWs) bands (ev): -41.4487 -41.4487 -20.4313 -20.4279 -19.9335 -19.9281 -19.9179 -19.9161 -4.5095 -4.5089 -3.7581 -3.7534 2.6641 2.6797 3.3088 3.3143 4.0842 4.0842 4.7744 4.7834 5.1018 5.1404 5.3208 5.3274 6.1107 6.3387 6.3759 6.4787 6.9425 7.0197 7.1469 7.1814 7.2088 7.3077 10.3398 10.3484 10.4484 10.4505 10.7210 10.7457 11.8549 11.8590 k = 0.3333 0.5774 0.2943 ( 3090 PWs) bands (ev): -41.4487 -41.4487 -20.4313 -20.4279 -19.9335 -19.9281 -19.9179 -19.9161 -4.5095 -4.5089 -3.7579 -3.7532 2.6609 2.6765 3.3094 3.3148 4.0814 4.0814 4.7762 4.7852 5.1030 5.1416 5.3253 5.3322 6.1102 6.3383 6.3736 6.4766 6.9406 7.0172 7.1538 7.1866 7.2088 7.3090 10.3340 10.3426 10.4491 10.4511 10.7206 10.7453 11.8617 11.8659 k = 0.3333 0.5774 0.3061 ( 3090 PWs) bands (ev): -41.4487 -41.4487 -20.4313 -20.4279 -19.9335 -19.9281 -19.9178 -19.9161 -4.5095 -4.5089 -3.7579 -3.7532 2.6599 2.6754 3.3096 3.3150 4.0804 4.0805 4.7768 4.7859 5.1034 5.1419 5.3268 5.3337 6.1100 6.3382 6.3729 6.4758 6.9399 7.0163 7.1561 7.1885 7.2088 7.3094 10.3321 10.3407 10.4494 10.4514 10.7205 10.7452 11.8639 11.8682 Writing output data file ScCuS2.save init_run : 2.30s CPU 13.62s WALL ( 1 calls) electrons : 524.67s CPU 531.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.31s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 524.65s CPU 531.08s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.96s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.09s CPU 0.57s WALL ( 1 calls) newd : 0.50s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 357 calls) cegterg : 494.37s CPU 498.19s WALL ( 821 calls) Called by sum_band: Called by *egterg: h_psi : 229.36s CPU 238.23s WALL ( 15152 calls) s_psi : 27.90s CPU 28.49s WALL ( 15152 calls) g_psi : 0.43s CPU 0.48s WALL ( 13974 calls) cdiaghg : 175.57s CPU 173.10s WALL ( 14331 calls) cegterg:over : 39.76s CPU 35.71s WALL ( 13974 calls) cegterg:upda : 4.48s CPU 7.94s WALL ( 13974 calls) cegterg:last : 4.64s CPU 5.52s WALL ( 2256 calls) Called by h_psi: h_psi:vloc : 177.81s CPU 185.26s WALL ( 15152 calls) h_psi:vnl : 51.44s CPU 52.52s WALL ( 15152 calls) add_vuspsi : 16.85s CPU 21.15s WALL ( 15152 calls) General routines calbec : 34.54s CPU 31.26s WALL ( 15152 calls) fft : 0.37s CPU 1.01s WALL ( 19 calls) ffts : 0.02s CPU 0.09s WALL ( 4 calls) fftw : 166.28s CPU 174.36s WALL ( 1172956 calls) interpolate : 0.03s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 3.62s WALL ( 714 calls) Parallel routines fft_scatter : 104.40s CPU 108.07s WALL ( 1172979 calls) PWSCF : 9m29.78s CPU 10m41.01s WALL This run was terminated on: 0:21:29 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=