Program PWSCF v.5.1.1 starts on 23Jun2015 at 11: 3:21 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: ./YN.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 12 3 946 379 59 Max 23 13 4 957 397 68 Sum 1069 595 187 45663 18629 3067 bravais-lattice index = 14 lattice parameter (alat) = 6.9977 a.u. unit-cell volume = 470.4058 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.997655 celldm(2)= 1.000000 celldm(3)= 1.585201 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 1.585201 ) 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 0.630835 ) PseudoPot. # 1 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /home/autes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential N 5.00 14.00670 N( 1.00) Y 11.00 88.90590 Y( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7926006 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7926006 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7926006 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7926006 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7926006 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7926006 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 360 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0102041 0.0058913 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0204082 0.0117827 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0306122 0.0176740 -0.0000000), wk = 0.0027778 k( 5) = ( 0.0408163 0.0235653 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0510204 0.0294566 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0612245 0.0353480 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0027778 k( 9) = ( 0.0816327 0.0471306 -0.0000000), wk = 0.0027778 k( 10) = ( 0.0918367 0.0530220 -0.0000000), wk = 0.0027778 k( 11) = ( 0.1020408 0.0589133 -0.0000000), wk = 0.0027778 k( 12) = ( 0.1122449 0.0648046 -0.0000000), wk = 0.0027778 k( 13) = ( 0.1224490 0.0706960 -0.0000000), wk = 0.0027778 k( 14) = ( 0.1326531 0.0765873 -0.0000000), wk = 0.0027778 k( 15) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0027778 k( 16) = ( 0.1530612 0.0883699 -0.0000000), wk = 0.0027778 k( 17) = ( 0.1632653 0.0942613 -0.0000000), wk = 0.0027778 k( 18) = ( 0.1734694 0.1001526 -0.0000000), wk = 0.0027778 k( 19) = ( 0.1836735 0.1060439 -0.0000000), wk = 0.0027778 k( 20) = ( 0.1938776 0.1119353 -0.0000000), wk = 0.0027778 k( 21) = ( 0.2040816 0.1178266 -0.0000000), wk = 0.0027778 k( 22) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0027778 k( 23) = ( 0.2244898 0.1296092 -0.0000000), wk = 0.0027778 k( 24) = ( 0.2346939 0.1355006 -0.0000000), wk = 0.0027778 k( 25) = ( 0.2448980 0.1413919 -0.0000000), wk = 0.0027778 k( 26) = ( 0.2551020 0.1472832 -0.0000000), wk = 0.0027778 k( 27) = ( 0.2653061 0.1531746 -0.0000000), wk = 0.0027778 k( 28) = ( 0.2755102 0.1590659 -0.0000000), wk = 0.0027778 k( 29) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0027778 k( 30) = ( 0.2959184 0.1708486 -0.0000000), wk = 0.0027778 k( 31) = ( 0.3061224 0.1767399 -0.0000000), wk = 0.0027778 k( 32) = ( 0.3163265 0.1826312 -0.0000000), wk = 0.0027778 k( 33) = ( 0.3265306 0.1885225 -0.0000000), wk = 0.0027778 k( 34) = ( 0.3367347 0.1944139 -0.0000000), wk = 0.0027778 k( 35) = ( 0.3469388 0.2003052 -0.0000000), wk = 0.0027778 k( 36) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0027778 k( 37) = ( 0.3673469 0.2120879 -0.0000000), wk = 0.0027778 k( 38) = ( 0.3775510 0.2179792 -0.0000000), wk = 0.0027778 k( 39) = ( 0.3877551 0.2238705 -0.0000000), wk = 0.0027778 k( 40) = ( 0.3979592 0.2297618 -0.0000000), wk = 0.0027778 k( 41) = ( 0.4081633 0.2356532 -0.0000000), wk = 0.0027778 k( 42) = ( 0.4183674 0.2415445 -0.0000000), wk = 0.0027778 k( 43) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0027778 k( 44) = ( 0.4387755 0.2533272 -0.0000000), wk = 0.0027778 k( 45) = ( 0.4489796 0.2592185 -0.0000000), wk = 0.0027778 k( 46) = ( 0.4591837 0.2651098 -0.0000000), wk = 0.0027778 k( 47) = ( 0.4693878 0.2710011 -0.0000000), wk = 0.0027778 k( 48) = ( 0.4795918 0.2768925 -0.0000000), wk = 0.0027778 k( 49) = ( 0.4897959 0.2827838 -0.0000000), wk = 0.0027778 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027778 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027778 k( 52) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0027778 k( 53) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0027778 k( 54) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0027778 k( 55) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0027778 k( 56) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0027778 k( 57) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0027778 k( 58) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0027778 k( 59) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0027778 k( 60) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0027778 k( 61) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0027778 k( 62) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0027778 k( 63) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0027778 k( 64) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0027778 k( 65) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0027778 k( 66) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0027778 k( 67) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0027778 k( 68) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0027778 k( 69) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0027778 k( 70) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0027778 k( 71) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0027778 k( 72) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0027778 k( 73) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0027778 k( 74) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0027778 k( 75) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0027778 k( 76) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0027778 k( 77) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0027778 k( 79) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0027778 k( 80) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027778 k( 82) = ( 0.3274854 0.5672213 -0.0000000), wk = 0.0027778 k( 83) = ( 0.3216374 0.5570924 -0.0000000), wk = 0.0027778 k( 84) = ( 0.3157895 0.5469634 -0.0000000), wk = 0.0027778 k( 85) = ( 0.3099415 0.5368345 -0.0000000), wk = 0.0027778 k( 86) = ( 0.3040936 0.5267055 -0.0000000), wk = 0.0027778 k( 87) = ( 0.2982456 0.5165765 -0.0000000), wk = 0.0027778 k( 88) = ( 0.2923977 0.5064476 -0.0000000), wk = 0.0027778 k( 89) = ( 0.2865497 0.4963187 -0.0000000), wk = 0.0027778 k( 90) = ( 0.2807018 0.4861897 -0.0000000), wk = 0.0027778 k( 91) = ( 0.2748538 0.4760607 -0.0000000), wk = 0.0027778 k( 92) = ( 0.2690058 0.4659318 -0.0000000), wk = 0.0027778 k( 93) = ( 0.2631579 0.4558028 -0.0000000), wk = 0.0027778 k( 94) = ( 0.2573099 0.4456739 -0.0000000), wk = 0.0027778 k( 95) = ( 0.2514620 0.4355449 -0.0000000), wk = 0.0027778 k( 96) = ( 0.2456140 0.4254160 -0.0000000), wk = 0.0027778 k( 97) = ( 0.2397661 0.4152870 -0.0000000), wk = 0.0027778 k( 98) = ( 0.2339181 0.4051581 -0.0000000), wk = 0.0027778 k( 99) = ( 0.2280702 0.3950291 -0.0000000), wk = 0.0027778 k( 100) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0027778 k( 101) = ( 0.2163743 0.3747712 -0.0000000), wk = 0.0027778 k( 102) = ( 0.2105263 0.3646423 -0.0000000), wk = 0.0027778 k( 103) = ( 0.2046784 0.3545133 -0.0000000), wk = 0.0027778 k( 104) = ( 0.1988304 0.3443844 -0.0000000), wk = 0.0027778 k( 105) = ( 0.1929825 0.3342554 -0.0000000), wk = 0.0027778 k( 106) = ( 0.1871345 0.3241265 -0.0000000), wk = 0.0027778 k( 107) = ( 0.1812865 0.3139975 -0.0000000), wk = 0.0027778 k( 108) = ( 0.1754386 0.3038686 -0.0000000), wk = 0.0027778 k( 109) = ( 0.1695906 0.2937396 -0.0000000), wk = 0.0027778 k( 110) = ( 0.1637427 0.2836107 -0.0000000), wk = 0.0027778 k( 111) = ( 0.1578947 0.2734817 -0.0000000), wk = 0.0027778 k( 112) = ( 0.1520468 0.2633527 -0.0000000), wk = 0.0027778 k( 113) = ( 0.1461988 0.2532238 -0.0000000), wk = 0.0027778 k( 114) = ( 0.1403509 0.2430949 -0.0000000), wk = 0.0027778 k( 115) = ( 0.1345029 0.2329659 -0.0000000), wk = 0.0027778 k( 116) = ( 0.1286550 0.2228369 -0.0000000), wk = 0.0027778 k( 117) = ( 0.1228070 0.2127080 -0.0000000), wk = 0.0027778 k( 118) = ( 0.1169591 0.2025790 -0.0000000), wk = 0.0027778 k( 119) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0027778 k( 120) = ( 0.1052632 0.1823211 -0.0000000), wk = 0.0027778 k( 121) = ( 0.0994152 0.1721922 -0.0000000), wk = 0.0027778 k( 122) = ( 0.0935673 0.1620632 -0.0000000), wk = 0.0027778 k( 123) = ( 0.0877193 0.1519343 -0.0000000), wk = 0.0027778 k( 124) = ( 0.0818713 0.1418053 -0.0000000), wk = 0.0027778 k( 125) = ( 0.0760234 0.1316764 -0.0000000), wk = 0.0027778 k( 126) = ( 0.0701754 0.1215474 -0.0000000), wk = 0.0027778 k( 127) = ( 0.0643275 0.1114185 -0.0000000), wk = 0.0027778 k( 128) = ( 0.0584795 0.1012895 -0.0000000), wk = 0.0027778 k( 129) = ( 0.0526316 0.0911606 -0.0000000), wk = 0.0027778 k( 130) = ( 0.0467836 0.0810316 -0.0000000), wk = 0.0027778 k( 131) = ( 0.0409357 0.0709027 -0.0000000), wk = 0.0027778 k( 132) = ( 0.0350877 0.0607737 -0.0000000), wk = 0.0027778 k( 133) = ( 0.0292398 0.0506448 -0.0000000), wk = 0.0027778 k( 134) = ( 0.0233918 0.0405158 -0.0000000), wk = 0.0027778 k( 135) = ( 0.0175439 0.0303869 -0.0000000), wk = 0.0027778 k( 136) = ( 0.0116959 0.0202579 -0.0000000), wk = 0.0027778 k( 137) = ( 0.0058480 0.0101289 -0.0000000), wk = 0.0027778 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 140) = ( 0.0000000 0.0000000 0.0116821), wk = 0.0027778 k( 141) = ( 0.0000000 0.0000000 0.0233643), wk = 0.0027778 k( 142) = ( 0.0000000 0.0000000 0.0350464), wk = 0.0027778 k( 143) = ( 0.0000000 0.0000000 0.0467285), wk = 0.0027778 k( 144) = ( 0.0000000 0.0000000 0.0584106), wk = 0.0027778 k( 145) = ( 0.0000000 0.0000000 0.0700927), wk = 0.0027778 k( 146) = ( 0.0000000 0.0000000 0.0817749), wk = 0.0027778 k( 147) = ( 0.0000000 0.0000000 0.0934570), wk = 0.0027778 k( 148) = ( 0.0000000 0.0000000 0.1051391), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.1168213), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.1285034), wk = 0.0027778 k( 151) = ( 0.0000000 0.0000000 0.1401855), wk = 0.0027778 k( 152) = ( 0.0000000 0.0000000 0.1518676), wk = 0.0027778 k( 153) = ( 0.0000000 0.0000000 0.1635498), wk = 0.0027778 k( 154) = ( 0.0000000 0.0000000 0.1752319), wk = 0.0027778 k( 155) = ( 0.0000000 0.0000000 0.1869140), wk = 0.0027778 k( 156) = ( 0.0000000 0.0000000 0.1985961), wk = 0.0027778 k( 157) = ( 0.0000000 0.0000000 0.2102782), wk = 0.0027778 k( 158) = ( 0.0000000 0.0000000 0.2219604), wk = 0.0027778 k( 159) = ( 0.0000000 0.0000000 0.2336425), wk = 0.0027778 k( 160) = ( 0.0000000 0.0000000 0.2453246), wk = 0.0027778 k( 161) = ( 0.0000000 0.0000000 0.2570068), wk = 0.0027778 k( 162) = ( 0.0000000 0.0000000 0.2686889), wk = 0.0027778 k( 163) = ( 0.0000000 0.0000000 0.2803710), wk = 0.0027778 k( 164) = ( 0.0000000 0.0000000 0.2920531), wk = 0.0027778 k( 165) = ( 0.0000000 0.0000000 0.3037353), wk = 0.0027778 k( 166) = ( 0.0000000 0.0000000 0.3154174), wk = 0.0027778 k( 167) = ( 0.0000000 0.0000000 0.3154174), wk = 0.0027778 k( 168) = ( 0.0102041 0.0058913 0.3154174), wk = 0.0027778 k( 169) = ( 0.0204082 0.0117827 0.3154174), wk = 0.0027778 k( 170) = ( 0.0306122 0.0176740 0.3154174), wk = 0.0027778 k( 171) = ( 0.0408163 0.0235653 0.3154174), wk = 0.0027778 k( 172) = ( 0.0510204 0.0294566 0.3154174), wk = 0.0027778 k( 173) = ( 0.0612245 0.0353480 0.3154174), wk = 0.0027778 k( 174) = ( 0.0714286 0.0412393 0.3154174), wk = 0.0027778 k( 175) = ( 0.0816327 0.0471306 0.3154174), wk = 0.0027778 k( 176) = ( 0.0918367 0.0530220 0.3154174), wk = 0.0027778 k( 177) = ( 0.1020408 0.0589133 0.3154174), wk = 0.0027778 k( 178) = ( 0.1122449 0.0648046 0.3154174), wk = 0.0027778 k( 179) = ( 0.1224490 0.0706960 0.3154174), wk = 0.0027778 k( 180) = ( 0.1326531 0.0765873 0.3154174), wk = 0.0027778 k( 181) = ( 0.1428571 0.0824786 0.3154174), wk = 0.0027778 k( 182) = ( 0.1530612 0.0883699 0.3154174), wk = 0.0027778 k( 183) = ( 0.1632653 0.0942613 0.3154174), wk = 0.0027778 k( 184) = ( 0.1734694 0.1001526 0.3154174), wk = 0.0027778 k( 185) = ( 0.1836735 0.1060439 0.3154174), wk = 0.0027778 k( 186) = ( 0.1938776 0.1119353 0.3154174), wk = 0.0027778 k( 187) = ( 0.2040816 0.1178266 0.3154174), wk = 0.0027778 k( 188) = ( 0.2142857 0.1237179 0.3154174), wk = 0.0027778 k( 189) = ( 0.2244898 0.1296092 0.3154174), wk = 0.0027778 k( 190) = ( 0.2346939 0.1355006 0.3154174), wk = 0.0027778 k( 191) = ( 0.2448980 0.1413919 0.3154174), wk = 0.0027778 k( 192) = ( 0.2551020 0.1472832 0.3154174), wk = 0.0027778 k( 193) = ( 0.2653061 0.1531746 0.3154174), wk = 0.0027778 k( 194) = ( 0.2755102 0.1590659 0.3154174), wk = 0.0027778 k( 195) = ( 0.2857143 0.1649572 0.3154174), wk = 0.0027778 k( 196) = ( 0.2959184 0.1708486 0.3154174), wk = 0.0027778 k( 197) = ( 0.3061224 0.1767399 0.3154174), wk = 0.0027778 k( 198) = ( 0.3163265 0.1826312 0.3154174), wk = 0.0027778 k( 199) = ( 0.3265306 0.1885225 0.3154174), wk = 0.0027778 k( 200) = ( 0.3367347 0.1944139 0.3154174), wk = 0.0027778 k( 201) = ( 0.3469388 0.2003052 0.3154174), wk = 0.0027778 k( 202) = ( 0.3571429 0.2061965 0.3154174), wk = 0.0027778 k( 203) = ( 0.3673469 0.2120879 0.3154174), wk = 0.0027778 k( 204) = ( 0.3775510 0.2179792 0.3154174), wk = 0.0027778 k( 205) = ( 0.3877551 0.2238705 0.3154174), wk = 0.0027778 k( 206) = ( 0.3979592 0.2297618 0.3154174), wk = 0.0027778 k( 207) = ( 0.4081633 0.2356532 0.3154174), wk = 0.0027778 k( 208) = ( 0.4183674 0.2415445 0.3154174), wk = 0.0027778 k( 209) = ( 0.4285714 0.2474358 0.3154174), wk = 0.0027778 k( 210) = ( 0.4387755 0.2533272 0.3154174), wk = 0.0027778 k( 211) = ( 0.4489796 0.2592185 0.3154174), wk = 0.0027778 k( 212) = ( 0.4591837 0.2651098 0.3154174), wk = 0.0027778 k( 213) = ( 0.4693878 0.2710011 0.3154174), wk = 0.0027778 k( 214) = ( 0.4795918 0.2768925 0.3154174), wk = 0.0027778 k( 215) = ( 0.4897959 0.2827838 0.3154174), wk = 0.0027778 k( 216) = ( 0.5000000 0.2886751 0.3154174), wk = 0.0027778 k( 217) = ( 0.5000000 0.2886751 0.3154174), wk = 0.0027778 k( 218) = ( 0.4942529 0.2986294 0.3154174), wk = 0.0027778 k( 219) = ( 0.4885058 0.3085838 0.3154174), wk = 0.0027778 k( 220) = ( 0.4827586 0.3185381 0.3154174), wk = 0.0027778 k( 221) = ( 0.4770115 0.3284924 0.3154174), wk = 0.0027778 k( 222) = ( 0.4712644 0.3384467 0.3154174), wk = 0.0027778 k( 223) = ( 0.4655172 0.3484010 0.3154174), wk = 0.0027778 k( 224) = ( 0.4597701 0.3583553 0.3154174), wk = 0.0027778 k( 225) = ( 0.4540230 0.3683097 0.3154174), wk = 0.0027778 k( 226) = ( 0.4482759 0.3782640 0.3154174), wk = 0.0027778 k( 227) = ( 0.4425287 0.3882183 0.3154174), wk = 0.0027778 k( 228) = ( 0.4367816 0.3981726 0.3154174), wk = 0.0027778 k( 229) = ( 0.4310345 0.4081269 0.3154174), wk = 0.0027778 k( 230) = ( 0.4252874 0.4180812 0.3154174), wk = 0.0027778 k( 231) = ( 0.4195402 0.4280355 0.3154174), wk = 0.0027778 k( 232) = ( 0.4137931 0.4379899 0.3154174), wk = 0.0027778 k( 233) = ( 0.4080460 0.4479442 0.3154174), wk = 0.0027778 k( 234) = ( 0.4022988 0.4578985 0.3154174), wk = 0.0027778 k( 235) = ( 0.3965517 0.4678528 0.3154174), wk = 0.0027778 k( 236) = ( 0.3908046 0.4778071 0.3154174), wk = 0.0027778 k( 237) = ( 0.3850575 0.4877614 0.3154174), wk = 0.0027778 k( 238) = ( 0.3793103 0.4977157 0.3154174), wk = 0.0027778 k( 239) = ( 0.3735632 0.5076701 0.3154174), wk = 0.0027778 k( 240) = ( 0.3678161 0.5176244 0.3154174), wk = 0.0027778 k( 241) = ( 0.3620690 0.5275787 0.3154174), wk = 0.0027778 k( 242) = ( 0.3563218 0.5375330 0.3154174), wk = 0.0027778 k( 243) = ( 0.3505747 0.5474873 0.3154174), wk = 0.0027778 k( 244) = ( 0.3448276 0.5574416 0.3154174), wk = 0.0027778 k( 245) = ( 0.3390805 0.5673960 0.3154174), wk = 0.0027778 k( 246) = ( 0.3333333 0.5773503 0.3154174), wk = 0.0027778 k( 247) = ( 0.3333333 0.5773503 0.3154174), wk = 0.0027778 k( 248) = ( 0.3274854 0.5672213 0.3154174), wk = 0.0027778 k( 249) = ( 0.3216374 0.5570924 0.3154174), wk = 0.0027778 k( 250) = ( 0.3157895 0.5469634 0.3154174), wk = 0.0027778 k( 251) = ( 0.3099415 0.5368345 0.3154174), wk = 0.0027778 k( 252) = ( 0.3040936 0.5267055 0.3154174), wk = 0.0027778 k( 253) = ( 0.2982456 0.5165765 0.3154174), wk = 0.0027778 k( 254) = ( 0.2923977 0.5064476 0.3154174), wk = 0.0027778 k( 255) = ( 0.2865497 0.4963187 0.3154174), wk = 0.0027778 k( 256) = ( 0.2807018 0.4861897 0.3154174), wk = 0.0027778 k( 257) = ( 0.2748538 0.4760607 0.3154174), wk = 0.0027778 k( 258) = ( 0.2690058 0.4659318 0.3154174), wk = 0.0027778 k( 259) = ( 0.2631579 0.4558028 0.3154174), wk = 0.0027778 k( 260) = ( 0.2573099 0.4456739 0.3154174), wk = 0.0027778 k( 261) = ( 0.2514620 0.4355449 0.3154174), wk = 0.0027778 k( 262) = ( 0.2456140 0.4254160 0.3154174), wk = 0.0027778 k( 263) = ( 0.2397661 0.4152870 0.3154174), wk = 0.0027778 k( 264) = ( 0.2339181 0.4051581 0.3154174), wk = 0.0027778 k( 265) = ( 0.2280702 0.3950291 0.3154174), wk = 0.0027778 k( 266) = ( 0.2222222 0.3849002 0.3154174), wk = 0.0027778 k( 267) = ( 0.2163743 0.3747712 0.3154174), wk = 0.0027778 k( 268) = ( 0.2105263 0.3646423 0.3154174), wk = 0.0027778 k( 269) = ( 0.2046784 0.3545133 0.3154174), wk = 0.0027778 k( 270) = ( 0.1988304 0.3443844 0.3154174), wk = 0.0027778 k( 271) = ( 0.1929825 0.3342554 0.3154174), wk = 0.0027778 k( 272) = ( 0.1871345 0.3241265 0.3154174), wk = 0.0027778 k( 273) = ( 0.1812865 0.3139975 0.3154174), wk = 0.0027778 k( 274) = ( 0.1754386 0.3038686 0.3154174), wk = 0.0027778 k( 275) = ( 0.1695906 0.2937396 0.3154174), wk = 0.0027778 k( 276) = ( 0.1637427 0.2836107 0.3154174), wk = 0.0027778 k( 277) = ( 0.1578947 0.2734817 0.3154174), wk = 0.0027778 k( 278) = ( 0.1520468 0.2633527 0.3154174), wk = 0.0027778 k( 279) = ( 0.1461988 0.2532238 0.3154174), wk = 0.0027778 k( 280) = ( 0.1403509 0.2430949 0.3154174), wk = 0.0027778 k( 281) = ( 0.1345029 0.2329659 0.3154174), wk = 0.0027778 k( 282) = ( 0.1286550 0.2228369 0.3154174), wk = 0.0027778 k( 283) = ( 0.1228070 0.2127080 0.3154174), wk = 0.0027778 k( 284) = ( 0.1169591 0.2025790 0.3154174), wk = 0.0027778 k( 285) = ( 0.1111111 0.1924501 0.3154174), wk = 0.0027778 k( 286) = ( 0.1052632 0.1823211 0.3154174), wk = 0.0027778 k( 287) = ( 0.0994152 0.1721922 0.3154174), wk = 0.0027778 k( 288) = ( 0.0935673 0.1620632 0.3154174), wk = 0.0027778 k( 289) = ( 0.0877193 0.1519343 0.3154174), wk = 0.0027778 k( 290) = ( 0.0818713 0.1418053 0.3154174), wk = 0.0027778 k( 291) = ( 0.0760234 0.1316764 0.3154174), wk = 0.0027778 k( 292) = ( 0.0701754 0.1215474 0.3154174), wk = 0.0027778 k( 293) = ( 0.0643275 0.1114185 0.3154174), wk = 0.0027778 k( 294) = ( 0.0584795 0.1012895 0.3154174), wk = 0.0027778 k( 295) = ( 0.0526316 0.0911606 0.3154174), wk = 0.0027778 k( 296) = ( 0.0467836 0.0810316 0.3154174), wk = 0.0027778 k( 297) = ( 0.0409357 0.0709027 0.3154174), wk = 0.0027778 k( 298) = ( 0.0350877 0.0607737 0.3154174), wk = 0.0027778 k( 299) = ( 0.0292398 0.0506448 0.3154174), wk = 0.0027778 k( 300) = ( 0.0233918 0.0405158 0.3154174), wk = 0.0027778 k( 301) = ( 0.0175439 0.0303869 0.3154174), wk = 0.0027778 k( 302) = ( 0.0116959 0.0202579 0.3154174), wk = 0.0027778 k( 303) = ( 0.0058480 0.0101289 0.3154174), wk = 0.0027778 k( 304) = ( 0.0000000 0.0000000 0.3154174), wk = 0.0027778 k( 305) = ( 0.5000000 0.2886751 0.3154174), wk = 0.0027778 k( 306) = ( 0.5000000 0.2886751 0.3037353), wk = 0.0027778 k( 307) = ( 0.5000000 0.2886751 0.2920531), wk = 0.0027778 k( 308) = ( 0.5000000 0.2886751 0.2803710), wk = 0.0027778 k( 309) = ( 0.5000000 0.2886751 0.2686889), wk = 0.0027778 k( 310) = ( 0.5000000 0.2886751 0.2570068), wk = 0.0027778 k( 311) = ( 0.5000000 0.2886751 0.2453246), wk = 0.0027778 k( 312) = ( 0.5000000 0.2886751 0.2336425), wk = 0.0027778 k( 313) = ( 0.5000000 0.2886751 0.2219604), wk = 0.0027778 k( 314) = ( 0.5000000 0.2886751 0.2102782), wk = 0.0027778 k( 315) = ( 0.5000000 0.2886751 0.1985961), wk = 0.0027778 k( 316) = ( 0.5000000 0.2886751 0.1869140), wk = 0.0027778 k( 317) = ( 0.5000000 0.2886751 0.1752319), wk = 0.0027778 k( 318) = ( 0.5000000 0.2886751 0.1635498), wk = 0.0027778 k( 319) = ( 0.5000000 0.2886751 0.1518676), wk = 0.0027778 k( 320) = ( 0.5000000 0.2886751 0.1401855), wk = 0.0027778 k( 321) = ( 0.5000000 0.2886751 0.1285034), wk = 0.0027778 k( 322) = ( 0.5000000 0.2886751 0.1168213), wk = 0.0027778 k( 323) = ( 0.5000000 0.2886751 0.1051391), wk = 0.0027778 k( 324) = ( 0.5000000 0.2886751 0.0934570), wk = 0.0027778 k( 325) = ( 0.5000000 0.2886751 0.0817749), wk = 0.0027778 k( 326) = ( 0.5000000 0.2886751 0.0700927), wk = 0.0027778 k( 327) = ( 0.5000000 0.2886751 0.0584106), wk = 0.0027778 k( 328) = ( 0.5000000 0.2886751 0.0467285), wk = 0.0027778 k( 329) = ( 0.5000000 0.2886751 0.0350464), wk = 0.0027778 k( 330) = ( 0.5000000 0.2886751 0.0233643), wk = 0.0027778 k( 331) = ( 0.5000000 0.2886751 0.0116821), wk = 0.0027778 k( 332) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027778 k( 333) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027778 k( 334) = ( 0.3333333 0.5773503 0.0116821), wk = 0.0027778 k( 335) = ( 0.3333333 0.5773503 0.0233643), wk = 0.0027778 k( 336) = ( 0.3333333 0.5773503 0.0350464), wk = 0.0027778 k( 337) = ( 0.3333333 0.5773503 0.0467285), wk = 0.0027778 k( 338) = ( 0.3333333 0.5773503 0.0584106), wk = 0.0027778 k( 339) = ( 0.3333333 0.5773503 0.0700927), wk = 0.0027778 k( 340) = ( 0.3333333 0.5773503 0.0817749), wk = 0.0027778 k( 341) = ( 0.3333333 0.5773503 0.0934570), wk = 0.0027778 k( 342) = ( 0.3333333 0.5773503 0.1051391), wk = 0.0027778 k( 343) = ( 0.3333333 0.5773503 0.1168213), wk = 0.0027778 k( 344) = ( 0.3333333 0.5773503 0.1285034), wk = 0.0027778 k( 345) = ( 0.3333333 0.5773503 0.1401855), wk = 0.0027778 k( 346) = ( 0.3333333 0.5773503 0.1518676), wk = 0.0027778 k( 347) = ( 0.3333333 0.5773503 0.1635498), wk = 0.0027778 k( 348) = ( 0.3333333 0.5773503 0.1752319), wk = 0.0027778 k( 349) = ( 0.3333333 0.5773503 0.1869140), wk = 0.0027778 k( 350) = ( 0.3333333 0.5773503 0.1985961), wk = 0.0027778 k( 351) = ( 0.3333333 0.5773503 0.2102782), wk = 0.0027778 k( 352) = ( 0.3333333 0.5773503 0.2219604), wk = 0.0027778 k( 353) = ( 0.3333333 0.5773503 0.2336425), wk = 0.0027778 k( 354) = ( 0.3333333 0.5773503 0.2453246), wk = 0.0027778 k( 355) = ( 0.3333333 0.5773503 0.2570068), wk = 0.0027778 k( 356) = ( 0.3333333 0.5773503 0.2686889), wk = 0.0027778 k( 357) = ( 0.3333333 0.5773503 0.2803710), wk = 0.0027778 k( 358) = ( 0.3333333 0.5773503 0.2920531), wk = 0.0027778 k( 359) = ( 0.3333333 0.5773503 0.3037353), wk = 0.0027778 k( 360) = ( 0.3333333 0.5773503 0.3154174), wk = 0.0027778 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0102041 0.0000000 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0204082 0.0000000 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0306122 0.0000000 -0.0000000), wk = 0.0027778 k( 5) = ( 0.0408163 0.0000000 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0510204 0.0000000 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0612245 0.0000000 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0027778 k( 9) = ( 0.0816327 0.0000000 -0.0000000), wk = 0.0027778 k( 10) = ( 0.0918367 0.0000000 0.0000000), wk = 0.0027778 k( 11) = ( 0.1020408 0.0000000 -0.0000000), wk = 0.0027778 k( 12) = ( 0.1122449 0.0000000 -0.0000000), wk = 0.0027778 k( 13) = ( 0.1224490 0.0000000 -0.0000000), wk = 0.0027778 k( 14) = ( 0.1326531 0.0000000 -0.0000000), wk = 0.0027778 k( 15) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0027778 k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0027778 k( 17) = ( 0.1632653 0.0000000 -0.0000000), wk = 0.0027778 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0027778 k( 19) = ( 0.1836735 0.0000000 -0.0000000), wk = 0.0027778 k( 20) = ( 0.1938776 0.0000000 -0.0000000), wk = 0.0027778 k( 21) = ( 0.2040816 0.0000000 -0.0000000), wk = 0.0027778 k( 22) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0027778 k( 23) = ( 0.2244898 0.0000000 -0.0000000), wk = 0.0027778 k( 24) = ( 0.2346939 -0.0000000 -0.0000000), wk = 0.0027778 k( 25) = ( 0.2448980 0.0000000 -0.0000000), wk = 0.0027778 k( 26) = ( 0.2551020 0.0000000 -0.0000000), wk = 0.0027778 k( 27) = ( 0.2653061 0.0000000 -0.0000000), wk = 0.0027778 k( 28) = ( 0.2755102 0.0000000 -0.0000000), wk = 0.0027778 k( 29) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0027778 k( 30) = ( 0.2959184 0.0000000 -0.0000000), wk = 0.0027778 k( 31) = ( 0.3061224 0.0000000 -0.0000000), wk = 0.0027778 k( 32) = ( 0.3163265 0.0000000 -0.0000000), wk = 0.0027778 k( 33) = ( 0.3265306 0.0000000 0.0000000), wk = 0.0027778 k( 34) = ( 0.3367347 0.0000000 -0.0000000), wk = 0.0027778 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0027778 k( 36) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0027778 k( 37) = ( 0.3673469 0.0000000 -0.0000000), wk = 0.0027778 k( 38) = ( 0.3775510 0.0000000 -0.0000000), wk = 0.0027778 k( 39) = ( 0.3877551 0.0000000 -0.0000000), wk = 0.0027778 k( 40) = ( 0.3979592 0.0000000 -0.0000000), wk = 0.0027778 k( 41) = ( 0.4081633 0.0000000 0.0000000), wk = 0.0027778 k( 42) = ( 0.4183674 0.0000000 0.0000000), wk = 0.0027778 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0027778 k( 44) = ( 0.4387755 -0.0000000 -0.0000000), wk = 0.0027778 k( 45) = ( 0.4489796 0.0000000 0.0000000), wk = 0.0027778 k( 46) = ( 0.4591837 0.0000000 -0.0000000), wk = 0.0027778 k( 47) = ( 0.4693878 -0.0000000 -0.0000000), wk = 0.0027778 k( 48) = ( 0.4795918 0.0000000 -0.0000000), wk = 0.0027778 k( 49) = ( 0.4897959 0.0000000 -0.0000000), wk = 0.0027778 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027778 k( 51) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027778 k( 52) = ( 0.4942529 0.0114943 0.0000000), wk = 0.0027778 k( 53) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0027778 k( 54) = ( 0.4827586 0.0344828 -0.0000000), wk = 0.0027778 k( 55) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0027778 k( 56) = ( 0.4712644 0.0574713 -0.0000000), wk = 0.0027778 k( 57) = ( 0.4655172 0.0689655 -0.0000000), wk = 0.0027778 k( 58) = ( 0.4597701 0.0804598 -0.0000000), wk = 0.0027778 k( 59) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0027778 k( 60) = ( 0.4482759 0.1034483 -0.0000000), wk = 0.0027778 k( 61) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0027778 k( 62) = ( 0.4367816 0.1264368 -0.0000000), wk = 0.0027778 k( 63) = ( 0.4310345 0.1379310 -0.0000000), wk = 0.0027778 k( 64) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0027778 k( 65) = ( 0.4195402 0.1609195 -0.0000000), wk = 0.0027778 k( 66) = ( 0.4137931 0.1724138 0.0000000), wk = 0.0027778 k( 67) = ( 0.4080460 0.1839080 -0.0000000), wk = 0.0027778 k( 68) = ( 0.4022988 0.1954023 -0.0000000), wk = 0.0027778 k( 69) = ( 0.3965517 0.2068966 0.0000000), wk = 0.0027778 k( 70) = ( 0.3908046 0.2183908 -0.0000000), wk = 0.0027778 k( 71) = ( 0.3850575 0.2298851 -0.0000000), wk = 0.0027778 k( 72) = ( 0.3793103 0.2413793 -0.0000000), wk = 0.0027778 k( 73) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0027778 k( 74) = ( 0.3678161 0.2643678 -0.0000000), wk = 0.0027778 k( 75) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0027778 k( 76) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0027778 k( 77) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3448276 0.3103448 0.0000000), wk = 0.0027778 k( 79) = ( 0.3390805 0.3218391 -0.0000000), wk = 0.0027778 k( 80) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027778 k( 82) = ( 0.3274854 0.3274854 -0.0000000), wk = 0.0027778 k( 83) = ( 0.3216374 0.3216374 -0.0000000), wk = 0.0027778 k( 84) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0027778 k( 85) = ( 0.3099415 0.3099415 -0.0000000), wk = 0.0027778 k( 86) = ( 0.3040936 0.3040936 0.0000000), wk = 0.0027778 k( 87) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0027778 k( 88) = ( 0.2923977 0.2923977 0.0000000), wk = 0.0027778 k( 89) = ( 0.2865497 0.2865497 0.0000000), wk = 0.0027778 k( 90) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0027778 k( 91) = ( 0.2748538 0.2748538 -0.0000000), wk = 0.0027778 k( 92) = ( 0.2690058 0.2690059 0.0000000), wk = 0.0027778 k( 93) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0027778 k( 94) = ( 0.2573099 0.2573099 -0.0000000), wk = 0.0027778 k( 95) = ( 0.2514620 0.2514620 -0.0000000), wk = 0.0027778 k( 96) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0027778 k( 97) = ( 0.2397661 0.2397661 -0.0000000), wk = 0.0027778 k( 98) = ( 0.2339181 0.2339181 -0.0000000), wk = 0.0027778 k( 99) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0027778 k( 100) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0027778 k( 101) = ( 0.2163743 0.2163743 -0.0000000), wk = 0.0027778 k( 102) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0027778 k( 103) = ( 0.2046784 0.2046784 -0.0000000), wk = 0.0027778 k( 104) = ( 0.1988304 0.1988304 0.0000000), wk = 0.0027778 k( 105) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0027778 k( 106) = ( 0.1871345 0.1871345 0.0000000), wk = 0.0027778 k( 107) = ( 0.1812865 0.1812865 0.0000000), wk = 0.0027778 k( 108) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0027778 k( 109) = ( 0.1695906 0.1695906 0.0000000), wk = 0.0027778 k( 110) = ( 0.1637427 0.1637427 -0.0000000), wk = 0.0027778 k( 111) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0027778 k( 112) = ( 0.1520468 0.1520468 -0.0000000), wk = 0.0027778 k( 113) = ( 0.1461988 0.1461988 0.0000000), wk = 0.0027778 k( 114) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0027778 k( 115) = ( 0.1345029 0.1345029 -0.0000000), wk = 0.0027778 k( 116) = ( 0.1286550 0.1286550 -0.0000000), wk = 0.0027778 k( 117) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0027778 k( 118) = ( 0.1169591 0.1169591 0.0000000), wk = 0.0027778 k( 119) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0027778 k( 120) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0027778 k( 121) = ( 0.0994152 0.0994152 -0.0000000), wk = 0.0027778 k( 122) = ( 0.0935673 0.0935673 0.0000000), wk = 0.0027778 k( 123) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0027778 k( 124) = ( 0.0818713 0.0818713 -0.0000000), wk = 0.0027778 k( 125) = ( 0.0760234 0.0760234 -0.0000000), wk = 0.0027778 k( 126) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0027778 k( 127) = ( 0.0643275 0.0643275 -0.0000000), wk = 0.0027778 k( 128) = ( 0.0584795 0.0584795 0.0000000), wk = 0.0027778 k( 129) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0027778 k( 130) = ( 0.0467836 0.0467836 -0.0000000), wk = 0.0027778 k( 131) = ( 0.0409357 0.0409357 0.0000000), wk = 0.0027778 k( 132) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0027778 k( 133) = ( 0.0292398 0.0292398 -0.0000000), wk = 0.0027778 k( 134) = ( 0.0233918 0.0233918 0.0000000), wk = 0.0027778 k( 135) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0027778 k( 136) = ( 0.0116959 0.0116959 0.0000000), wk = 0.0027778 k( 137) = ( 0.0058480 0.0058480 0.0000000), wk = 0.0027778 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 140) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0027778 k( 141) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0027778 k( 142) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027778 k( 143) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0027778 k( 144) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0027778 k( 145) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027778 k( 146) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0027778 k( 147) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0027778 k( 148) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0027778 k( 151) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027778 k( 152) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0027778 k( 153) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0027778 k( 154) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027778 k( 155) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0027778 k( 156) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0027778 k( 157) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027778 k( 158) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0027778 k( 159) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0027778 k( 160) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027778 k( 161) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0027778 k( 162) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0027778 k( 163) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027778 k( 164) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0027778 k( 165) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0027778 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 168) = ( 0.0102041 0.0000000 0.5000000), wk = 0.0027778 k( 169) = ( 0.0204082 0.0000000 0.5000000), wk = 0.0027778 k( 170) = ( 0.0306122 0.0000000 0.5000000), wk = 0.0027778 k( 171) = ( 0.0408163 0.0000000 0.5000000), wk = 0.0027778 k( 172) = ( 0.0510204 0.0000000 0.5000000), wk = 0.0027778 k( 173) = ( 0.0612245 0.0000000 0.5000000), wk = 0.0027778 k( 174) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0027778 k( 175) = ( 0.0816327 0.0000000 0.5000000), wk = 0.0027778 k( 176) = ( 0.0918367 0.0000000 0.5000000), wk = 0.0027778 k( 177) = ( 0.1020408 0.0000000 0.5000000), wk = 0.0027778 k( 178) = ( 0.1122449 0.0000000 0.5000000), wk = 0.0027778 k( 179) = ( 0.1224490 0.0000000 0.5000000), wk = 0.0027778 k( 180) = ( 0.1326531 0.0000000 0.5000000), wk = 0.0027778 k( 181) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0027778 k( 182) = ( 0.1530612 0.0000000 0.5000000), wk = 0.0027778 k( 183) = ( 0.1632653 0.0000000 0.5000000), wk = 0.0027778 k( 184) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0027778 k( 185) = ( 0.1836735 0.0000000 0.5000000), wk = 0.0027778 k( 186) = ( 0.1938776 0.0000000 0.5000000), wk = 0.0027778 k( 187) = ( 0.2040816 0.0000000 0.5000000), wk = 0.0027778 k( 188) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0027778 k( 189) = ( 0.2244898 0.0000000 0.5000000), wk = 0.0027778 k( 190) = ( 0.2346939 -0.0000000 0.5000000), wk = 0.0027778 k( 191) = ( 0.2448980 0.0000000 0.5000000), wk = 0.0027778 k( 192) = ( 0.2551020 0.0000000 0.5000000), wk = 0.0027778 k( 193) = ( 0.2653061 0.0000000 0.5000000), wk = 0.0027778 k( 194) = ( 0.2755102 0.0000000 0.5000000), wk = 0.0027778 k( 195) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0027778 k( 196) = ( 0.2959184 0.0000000 0.5000000), wk = 0.0027778 k( 197) = ( 0.3061224 0.0000000 0.5000000), wk = 0.0027778 k( 198) = ( 0.3163265 0.0000000 0.5000000), wk = 0.0027778 k( 199) = ( 0.3265306 0.0000000 0.5000000), wk = 0.0027778 k( 200) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0027778 k( 201) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0027778 k( 202) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0027778 k( 203) = ( 0.3673469 0.0000000 0.5000000), wk = 0.0027778 k( 204) = ( 0.3775510 0.0000000 0.5000000), wk = 0.0027778 k( 205) = ( 0.3877551 0.0000000 0.5000000), wk = 0.0027778 k( 206) = ( 0.3979592 0.0000000 0.5000000), wk = 0.0027778 k( 207) = ( 0.4081633 0.0000000 0.5000000), wk = 0.0027778 k( 208) = ( 0.4183674 0.0000000 0.5000000), wk = 0.0027778 k( 209) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0027778 k( 210) = ( 0.4387755 -0.0000000 0.5000000), wk = 0.0027778 k( 211) = ( 0.4489796 0.0000000 0.5000000), wk = 0.0027778 k( 212) = ( 0.4591837 0.0000000 0.5000000), wk = 0.0027778 k( 213) = ( 0.4693878 -0.0000000 0.5000000), wk = 0.0027778 k( 214) = ( 0.4795918 0.0000000 0.5000000), wk = 0.0027778 k( 215) = ( 0.4897959 0.0000000 0.5000000), wk = 0.0027778 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778 k( 217) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778 k( 218) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0027778 k( 219) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0027778 k( 220) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0027778 k( 221) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0027778 k( 222) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0027778 k( 223) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0027778 k( 224) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0027778 k( 225) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0027778 k( 226) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0027778 k( 227) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0027778 k( 228) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0027778 k( 229) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0027778 k( 230) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0027778 k( 231) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0027778 k( 232) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0027778 k( 233) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0027778 k( 234) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0027778 k( 235) = ( 0.3965517 0.2068966 0.5000000), wk = 0.0027778 k( 236) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0027778 k( 237) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0027778 k( 238) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0027778 k( 239) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0027778 k( 240) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0027778 k( 241) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0027778 k( 242) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0027778 k( 243) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0027778 k( 244) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0027778 k( 245) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0027778 k( 246) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027778 k( 247) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027778 k( 248) = ( 0.3274854 0.3274854 0.5000000), wk = 0.0027778 k( 249) = ( 0.3216374 0.3216374 0.5000000), wk = 0.0027778 k( 250) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0027778 k( 251) = ( 0.3099415 0.3099415 0.5000000), wk = 0.0027778 k( 252) = ( 0.3040936 0.3040936 0.5000000), wk = 0.0027778 k( 253) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0027778 k( 254) = ( 0.2923977 0.2923977 0.5000000), wk = 0.0027778 k( 255) = ( 0.2865497 0.2865497 0.5000000), wk = 0.0027778 k( 256) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0027778 k( 257) = ( 0.2748538 0.2748538 0.5000000), wk = 0.0027778 k( 258) = ( 0.2690058 0.2690059 0.5000000), wk = 0.0027778 k( 259) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0027778 k( 260) = ( 0.2573099 0.2573099 0.5000000), wk = 0.0027778 k( 261) = ( 0.2514620 0.2514620 0.5000000), wk = 0.0027778 k( 262) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0027778 k( 263) = ( 0.2397661 0.2397661 0.5000000), wk = 0.0027778 k( 264) = ( 0.2339181 0.2339181 0.5000000), wk = 0.0027778 k( 265) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0027778 k( 266) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0027778 k( 267) = ( 0.2163743 0.2163743 0.5000000), wk = 0.0027778 k( 268) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0027778 k( 269) = ( 0.2046784 0.2046784 0.5000000), wk = 0.0027778 k( 270) = ( 0.1988304 0.1988304 0.5000000), wk = 0.0027778 k( 271) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0027778 k( 272) = ( 0.1871345 0.1871345 0.5000000), wk = 0.0027778 k( 273) = ( 0.1812865 0.1812865 0.5000000), wk = 0.0027778 k( 274) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0027778 k( 275) = ( 0.1695906 0.1695906 0.5000000), wk = 0.0027778 k( 276) = ( 0.1637427 0.1637427 0.5000000), wk = 0.0027778 k( 277) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0027778 k( 278) = ( 0.1520468 0.1520468 0.5000000), wk = 0.0027778 k( 279) = ( 0.1461988 0.1461988 0.5000000), wk = 0.0027778 k( 280) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0027778 k( 281) = ( 0.1345029 0.1345029 0.5000000), wk = 0.0027778 k( 282) = ( 0.1286550 0.1286550 0.5000000), wk = 0.0027778 k( 283) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0027778 k( 284) = ( 0.1169591 0.1169591 0.5000000), wk = 0.0027778 k( 285) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0027778 k( 286) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0027778 k( 287) = ( 0.0994152 0.0994152 0.5000000), wk = 0.0027778 k( 288) = ( 0.0935673 0.0935673 0.5000000), wk = 0.0027778 k( 289) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0027778 k( 290) = ( 0.0818713 0.0818713 0.5000000), wk = 0.0027778 k( 291) = ( 0.0760234 0.0760234 0.5000000), wk = 0.0027778 k( 292) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0027778 k( 293) = ( 0.0643275 0.0643275 0.5000000), wk = 0.0027778 k( 294) = ( 0.0584795 0.0584795 0.5000000), wk = 0.0027778 k( 295) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0027778 k( 296) = ( 0.0467836 0.0467836 0.5000000), wk = 0.0027778 k( 297) = ( 0.0409357 0.0409357 0.5000000), wk = 0.0027778 k( 298) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0027778 k( 299) = ( 0.0292398 0.0292398 0.5000000), wk = 0.0027778 k( 300) = ( 0.0233918 0.0233918 0.5000000), wk = 0.0027778 k( 301) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0027778 k( 302) = ( 0.0116959 0.0116959 0.5000000), wk = 0.0027778 k( 303) = ( 0.0058480 0.0058480 0.5000000), wk = 0.0027778 k( 304) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 305) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778 k( 306) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0027778 k( 307) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0027778 k( 308) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0027778 k( 309) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0027778 k( 310) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0027778 k( 311) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0027778 k( 312) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0027778 k( 313) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0027778 k( 314) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0027778 k( 315) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0027778 k( 316) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0027778 k( 317) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0027778 k( 318) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0027778 k( 319) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0027778 k( 320) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0027778 k( 321) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0027778 k( 322) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0027778 k( 323) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0027778 k( 324) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0027778 k( 325) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0027778 k( 326) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0027778 k( 327) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0027778 k( 328) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0027778 k( 329) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0027778 k( 330) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0027778 k( 331) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0027778 k( 332) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027778 k( 333) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027778 k( 334) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0027778 k( 335) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0027778 k( 336) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0027778 k( 337) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0027778 k( 338) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0027778 k( 339) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0027778 k( 340) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0027778 k( 341) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0027778 k( 342) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0027778 k( 343) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0027778 k( 344) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0027778 k( 345) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0027778 k( 346) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0027778 k( 347) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0027778 k( 348) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0027778 k( 349) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0027778 k( 350) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0027778 k( 351) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027778 k( 352) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0027778 k( 353) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0027778 k( 354) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0027778 k( 355) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0027778 k( 356) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0027778 k( 357) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0027778 k( 358) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0027778 k( 359) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0027778 k( 360) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027778 Dense grid: 45663 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 18629 G-vectors FFT dimensions: ( 30, 30, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 108, 40) NL pseudopotentials 0.08 Mb ( 54, 96) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 952) G-vector shells 0.00 Mb ( 487) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 108, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.12 Mb ( 96, 2, 40) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./YN.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.9 secs Computing kpt #: 2 total cpu time spent up to now is 41.5 secs Computing kpt #: 3 total cpu time spent up to now is 42.2 secs Computing kpt #: 4 total cpu time spent up to now is 42.8 secs Computing kpt #: 5 total cpu time spent up to now is 43.5 secs Computing kpt #: 6 total cpu time spent up to now is 44.2 secs Computing kpt #: 7 total cpu time spent up to now is 44.9 secs Computing kpt #: 8 total cpu time spent up to now is 45.5 secs Computing kpt #: 9 total cpu time spent up to now is 46.2 secs Computing kpt #: 10 total cpu time spent up to now is 46.9 secs Computing kpt #: 11 total cpu time spent up to now is 47.5 secs Computing kpt #: 12 total cpu time spent up to now is 48.2 secs Computing kpt #: 13 total cpu time spent up to now is 48.9 secs Computing kpt #: 14 total cpu time spent up to now is 49.5 secs Computing kpt #: 15 total cpu time spent up to now is 50.2 secs Computing kpt #: 16 total cpu time spent up to now is 50.8 secs Computing kpt #: 17 total cpu time spent up to now is 51.5 secs Computing kpt #: 18 total cpu time spent up to now is 52.1 secs Computing kpt #: 19 total cpu time spent up to now is 52.6 secs Computing kpt #: 20 total cpu time spent up to now is 53.3 secs Computing kpt #: 21 total cpu time spent up to now is 53.8 secs Computing kpt #: 22 total cpu time spent up to now is 54.9 secs Computing kpt #: 23 total cpu time spent up to now is 55.7 secs Computing kpt #: 24 total cpu time spent up to now is 56.3 secs Computing kpt #: 25 total cpu time spent up to now is 56.9 secs Computing kpt #: 26 total cpu time spent up to now is 57.6 secs Computing kpt #: 27 total cpu time spent up to now is 58.4 secs Computing kpt #: 28 total cpu time spent up to now is 59.0 secs Computing kpt #: 29 total cpu time spent up to now is 59.8 secs Computing kpt #: 30 total cpu time spent up to now is 60.6 secs Computing kpt #: 31 total cpu time spent up to now is 61.9 secs Computing kpt #: 32 total cpu time spent up to now is 62.7 secs Computing kpt #: 33 total cpu time spent up to now is 63.4 secs Computing kpt #: 34 total cpu time spent up to now is 64.1 secs Computing kpt #: 35 total cpu time spent up to now is 65.1 secs Computing kpt #: 36 total cpu time spent up to now is 66.3 secs Computing kpt #: 37 total cpu time spent up to now is 67.1 secs Computing kpt #: 38 total cpu time spent up to now is 68.1 secs Computing kpt #: 39 total cpu time spent up to now is 69.1 secs Computing kpt #: 40 total cpu time spent up to now is 69.9 secs Computing kpt #: 41 total cpu time spent up to now is 71.1 secs Computing kpt #: 42 total cpu time spent up to now is 72.1 secs Computing kpt #: 43 total cpu time spent up to now is 72.9 secs Computing kpt #: 44 total cpu time spent up to now is 73.9 secs Computing kpt #: 45 total cpu time spent up to now is 74.9 secs Computing kpt #: 46 total cpu time spent up to now is 75.8 secs Computing kpt #: 47 total cpu time spent up to now is 76.6 secs Computing kpt #: 48 total cpu time spent up to now is 77.5 secs Computing kpt #: 49 total cpu time spent up to now is 79.7 secs Computing kpt #: 50 total cpu time spent up to now is 81.0 secs Computing kpt #: 51 total cpu time spent up to now is 81.9 secs Computing kpt #: 52 total cpu time spent up to now is 83.3 secs Computing kpt #: 53 total cpu time spent up to now is 85.0 secs Computing kpt #: 54 total cpu time spent up to now is 86.2 secs Computing kpt #: 55 total cpu time spent up to now is 87.5 secs Computing kpt #: 56 total cpu time spent up to now is 88.4 secs Computing kpt #: 57 total cpu time spent up to now is 89.6 secs Computing kpt #: 58 total cpu time spent up to now is 91.3 secs Computing kpt #: 59 total cpu time spent up to now is 92.7 secs Computing kpt #: 60 total cpu time spent up to now is 93.9 secs Computing kpt #: 61 total cpu time spent up to now is 96.1 secs Computing kpt #: 62 total cpu time spent up to now is 98.3 secs Computing kpt #: 63 total cpu time spent up to now is 99.1 secs Computing kpt #: 64 total cpu time spent up to now is 100.2 secs Computing kpt #: 65 total cpu time spent up to now is 101.5 secs Computing kpt #: 66 total cpu time spent up to now is 102.7 secs Computing kpt #: 67 total cpu time spent up to now is 103.7 secs Computing kpt #: 68 total cpu time spent up to now is 104.5 secs Computing kpt #: 69 total cpu time spent up to now is 105.3 secs Computing kpt #: 70 total cpu time spent up to now is 106.1 secs Computing kpt #: 71 total cpu time spent up to now is 107.3 secs Computing kpt #: 72 total cpu time spent up to now is 108.9 secs Computing kpt #: 73 total cpu time spent up to now is 109.9 secs Computing kpt #: 74 total cpu time spent up to now is 111.0 secs Computing kpt #: 75 total cpu time spent up to now is 112.3 secs Computing kpt #: 76 total cpu time spent up to now is 113.4 secs Computing kpt #: 77 total cpu time spent up to now is 114.5 secs Computing kpt #: 78 total cpu time spent up to now is 115.4 secs Computing kpt #: 79 total cpu time spent up to now is 116.8 secs Computing kpt #: 80 total cpu time spent up to now is 118.2 secs Computing kpt #: 81 total cpu time spent up to now is 120.0 secs Computing kpt #: 82 total cpu time spent up to now is 121.8 secs Computing kpt #: 83 total cpu time spent up to now is 123.3 secs Computing kpt #: 84 total cpu time spent up to now is 124.0 secs Computing kpt #: 85 total cpu time spent up to now is 124.8 secs Computing kpt #: 86 total cpu time spent up to now is 125.6 secs Computing kpt #: 87 total cpu time spent up to now is 126.5 secs Computing kpt #: 88 total cpu time spent up to now is 127.5 secs Computing kpt #: 89 total cpu time spent up to now is 128.4 secs Computing kpt #: 90 total cpu time spent up to now is 129.2 secs Computing kpt #: 91 total cpu time spent up to now is 130.3 secs Computing kpt #: 92 total cpu time spent up to now is 131.2 secs Computing kpt #: 93 total cpu time spent up to now is 132.2 secs Computing kpt #: 94 total cpu time spent up to now is 133.0 secs Computing kpt #: 95 total cpu time spent up to now is 134.0 secs Computing kpt #: 96 total cpu time spent up to now is 134.8 secs Computing kpt #: 97 total cpu time spent up to now is 135.5 secs Computing kpt #: 98 total cpu time spent up to now is 136.2 secs Computing kpt #: 99 total cpu time spent up to now is 136.9 secs Computing kpt #: 100 total cpu time spent up to now is 137.7 secs Computing kpt #: 101 total cpu time spent up to now is 138.5 secs Computing kpt #: 102 total cpu time spent up to now is 139.3 secs Computing kpt #: 103 total cpu time spent up to now is 140.3 secs Computing kpt #: 104 total cpu time spent up to now is 141.2 secs Computing kpt #: 105 total cpu time spent up to now is 141.9 secs Computing kpt #: 106 total cpu time spent up to now is 142.7 secs Computing kpt #: 107 total cpu time spent up to now is 143.9 secs Computing kpt #: 108 total cpu time spent up to now is 145.5 secs Computing kpt #: 109 total cpu time spent up to now is 147.0 secs Computing kpt #: 110 total cpu time spent up to now is 147.7 secs Computing kpt #: 111 total cpu time spent up to now is 148.3 secs Computing kpt #: 112 total cpu time spent up to now is 149.2 secs Computing kpt #: 113 total cpu time spent up to now is 150.1 secs Computing kpt #: 114 total cpu time spent up to now is 150.8 secs Computing kpt #: 115 total cpu time spent up to now is 151.6 secs Computing kpt #: 116 total cpu time spent up to now is 152.3 secs Computing kpt #: 117 total cpu time spent up to now is 153.2 secs Computing kpt #: 118 total cpu time spent up to now is 154.0 secs Computing kpt #: 119 total cpu time spent up to now is 155.1 secs Computing kpt #: 120 total cpu time spent up to now is 156.4 secs Computing kpt #: 121 total cpu time spent up to now is 157.1 secs Computing kpt #: 122 total cpu time spent up to now is 157.7 secs Computing kpt #: 123 total cpu time spent up to now is 158.3 secs Computing kpt #: 124 total cpu time spent up to now is 158.9 secs Computing kpt #: 125 total cpu time spent up to now is 159.6 secs Computing kpt #: 126 total cpu time spent up to now is 160.3 secs Computing kpt #: 127 total cpu time spent up to now is 161.5 secs Computing kpt #: 128 total cpu time spent up to now is 162.3 secs Computing kpt #: 129 total cpu time spent up to now is 163.8 secs Computing kpt #: 130 total cpu time spent up to now is 165.0 secs Computing kpt #: 131 total cpu time spent up to now is 165.6 secs Computing kpt #: 132 total cpu time spent up to now is 166.3 secs Computing kpt #: 133 total cpu time spent up to now is 167.9 secs Computing kpt #: 134 total cpu time spent up to now is 169.7 secs Computing kpt #: 135 total cpu time spent up to now is 171.0 secs Computing kpt #: 136 total cpu time spent up to now is 171.8 secs Computing kpt #: 137 total cpu time spent up to now is 172.7 secs Computing kpt #: 138 total cpu time spent up to now is 173.6 secs Computing kpt #: 139 total cpu time spent up to now is 174.8 secs Computing kpt #: 140 total cpu time spent up to now is 175.4 secs Computing kpt #: 141 total cpu time spent up to now is 176.1 secs Computing kpt #: 142 total cpu time spent up to now is 176.7 secs Computing kpt #: 143 total cpu time spent up to now is 177.3 secs Computing kpt #: 144 total cpu time spent up to now is 178.6 secs Computing kpt #: 145 total cpu time spent up to now is 179.4 secs Computing kpt #: 146 total cpu time spent up to now is 180.1 secs Computing kpt #: 147 total cpu time spent up to now is 181.3 secs Computing kpt #: 148 total cpu time spent up to now is 182.0 secs Computing kpt #: 149 total cpu time spent up to now is 182.8 secs Computing kpt #: 150 total cpu time spent up to now is 183.8 secs Computing kpt #: 151 total cpu time spent up to now is 184.6 secs Computing kpt #: 152 total cpu time spent up to now is 185.4 secs Computing kpt #: 153 total cpu time spent up to now is 186.3 secs Computing kpt #: 154 total cpu time spent up to now is 187.0 secs Computing kpt #: 155 total cpu time spent up to now is 187.8 secs Computing kpt #: 156 total cpu time spent up to now is 188.5 secs Computing kpt #: 157 total cpu time spent up to now is 189.2 secs Computing kpt #: 158 total cpu time spent up to now is 189.9 secs Computing kpt #: 159 total cpu time spent up to now is 190.5 secs Computing kpt #: 160 total cpu time spent up to now is 191.2 secs Computing kpt #: 161 total cpu time spent up to now is 192.1 secs Computing kpt #: 162 total cpu time spent up to now is 193.0 secs Computing kpt #: 163 total cpu time spent up to now is 194.0 secs Computing kpt #: 164 total cpu time spent up to now is 194.7 secs Computing kpt #: 165 total cpu time spent up to now is 195.6 secs Computing kpt #: 166 total cpu time spent up to now is 196.7 secs Computing kpt #: 167 total cpu time spent up to now is 197.9 secs Computing kpt #: 168 total cpu time spent up to now is 199.5 secs Computing kpt #: 169 total cpu time spent up to now is 200.8 secs Computing kpt #: 170 total cpu time spent up to now is 202.2 secs Computing kpt #: 171 total cpu time spent up to now is 203.3 secs Computing kpt #: 172 total cpu time spent up to now is 204.5 secs Computing kpt #: 173 total cpu time spent up to now is 205.4 secs Computing kpt #: 174 total cpu time spent up to now is 206.4 secs Computing kpt #: 175 total cpu time spent up to now is 207.4 secs Computing kpt #: 176 total cpu time spent up to now is 208.4 secs Computing kpt #: 177 total cpu time spent up to now is 209.6 secs Computing kpt #: 178 total cpu time spent up to now is 210.7 secs Computing kpt #: 179 total cpu time spent up to now is 211.8 secs Computing kpt #: 180 total cpu time spent up to now is 213.1 secs Computing kpt #: 181 total cpu time spent up to now is 214.5 secs Computing kpt #: 182 total cpu time spent up to now is 215.9 secs Computing kpt #: 183 total cpu time spent up to now is 216.9 secs Computing kpt #: 184 total cpu time spent up to now is 217.9 secs Computing kpt #: 185 total cpu time spent up to now is 219.0 secs Computing kpt #: 186 total cpu time spent up to now is 220.1 secs Computing kpt #: 187 total cpu time spent up to now is 221.3 secs Computing kpt #: 188 total cpu time spent up to now is 222.5 secs Computing kpt #: 189 total cpu time spent up to now is 223.7 secs Computing kpt #: 190 total cpu time spent up to now is 225.2 secs Computing kpt #: 191 total cpu time spent up to now is 226.1 secs Computing kpt #: 192 total cpu time spent up to now is 226.9 secs Computing kpt #: 193 total cpu time spent up to now is 227.7 secs Computing kpt #: 194 total cpu time spent up to now is 228.6 secs Computing kpt #: 195 total cpu time spent up to now is 229.4 secs Computing kpt #: 196 total cpu time spent up to now is 230.3 secs Computing kpt #: 197 total cpu time spent up to now is 231.5 secs Computing kpt #: 198 total cpu time spent up to now is 232.6 secs Computing kpt #: 199 total cpu time spent up to now is 233.5 secs Computing kpt #: 200 total cpu time spent up to now is 234.5 secs Computing kpt #: 201 total cpu time spent up to now is 235.5 secs Computing kpt #: 202 total cpu time spent up to now is 236.5 secs Computing kpt #: 203 total cpu time spent up to now is 238.3 secs Computing kpt #: 204 total cpu time spent up to now is 239.5 secs Computing kpt #: 205 total cpu time spent up to now is 240.8 secs Computing kpt #: 206 total cpu time spent up to now is 242.5 secs Computing kpt #: 207 total cpu time spent up to now is 243.7 secs Computing kpt #: 208 total cpu time spent up to now is 244.7 secs Computing kpt #: 209 total cpu time spent up to now is 245.6 secs Computing kpt #: 210 total cpu time spent up to now is 246.5 secs Computing kpt #: 211 total cpu time spent up to now is 247.3 secs Computing kpt #: 212 total cpu time spent up to now is 248.1 secs Computing kpt #: 213 total cpu time spent up to now is 248.9 secs Computing kpt #: 214 total cpu time spent up to now is 249.6 secs Computing kpt #: 215 total cpu time spent up to now is 250.4 secs Computing kpt #: 216 total cpu time spent up to now is 251.3 secs Computing kpt #: 217 total cpu time spent up to now is 252.4 secs Computing kpt #: 218 total cpu time spent up to now is 253.3 secs Computing kpt #: 219 total cpu time spent up to now is 254.2 secs Computing kpt #: 220 total cpu time spent up to now is 255.2 secs Computing kpt #: 221 total cpu time spent up to now is 256.3 secs Computing kpt #: 222 total cpu time spent up to now is 257.2 secs Computing kpt #: 223 total cpu time spent up to now is 258.7 secs Computing kpt #: 224 total cpu time spent up to now is 259.4 secs Computing kpt #: 225 total cpu time spent up to now is 260.1 secs Computing kpt #: 226 total cpu time spent up to now is 260.9 secs Computing kpt #: 227 total cpu time spent up to now is 261.6 secs Computing kpt #: 228 total cpu time spent up to now is 262.4 secs Computing kpt #: 229 total cpu time spent up to now is 263.1 secs Computing kpt #: 230 total cpu time spent up to now is 263.8 secs Computing kpt #: 231 total cpu time spent up to now is 264.6 secs Computing kpt #: 232 total cpu time spent up to now is 265.4 secs Computing kpt #: 233 total cpu time spent up to now is 266.1 secs Computing kpt #: 234 total cpu time spent up to now is 267.1 secs Computing kpt #: 235 total cpu time spent up to now is 268.3 secs Computing kpt #: 236 total cpu time spent up to now is 269.4 secs Computing kpt #: 237 total cpu time spent up to now is 270.3 secs Computing kpt #: 238 total cpu time spent up to now is 271.1 secs Computing kpt #: 239 total cpu time spent up to now is 271.9 secs Computing kpt #: 240 total cpu time spent up to now is 272.6 secs Computing kpt #: 241 total cpu time spent up to now is 273.3 secs Computing kpt #: 242 total cpu time spent up to now is 274.1 secs Computing kpt #: 243 total cpu time spent up to now is 274.8 secs Computing kpt #: 244 total cpu time spent up to now is 275.5 secs Computing kpt #: 245 total cpu time spent up to now is 276.2 secs Computing kpt #: 246 total cpu time spent up to now is 277.1 secs Computing kpt #: 247 total cpu time spent up to now is 277.8 secs Computing kpt #: 248 total cpu time spent up to now is 279.5 secs Computing kpt #: 249 total cpu time spent up to now is 280.5 secs Computing kpt #: 250 total cpu time spent up to now is 281.3 secs Computing kpt #: 251 total cpu time spent up to now is 282.6 secs Computing kpt #: 252 total cpu time spent up to now is 284.1 secs Computing kpt #: 253 total cpu time spent up to now is 284.8 secs Computing kpt #: 254 total cpu time spent up to now is 285.5 secs Computing kpt #: 255 total cpu time spent up to now is 286.2 secs Computing kpt #: 256 total cpu time spent up to now is 286.9 secs Computing kpt #: 257 total cpu time spent up to now is 287.7 secs Computing kpt #: 258 total cpu time spent up to now is 288.4 secs Computing kpt #: 259 total cpu time spent up to now is 289.1 secs Computing kpt #: 260 total cpu time spent up to now is 290.0 secs Computing kpt #: 261 total cpu time spent up to now is 290.8 secs Computing kpt #: 262 total cpu time spent up to now is 291.6 secs Computing kpt #: 263 total cpu time spent up to now is 292.6 secs Computing kpt #: 264 total cpu time spent up to now is 293.5 secs Computing kpt #: 265 total cpu time spent up to now is 294.2 secs Computing kpt #: 266 total cpu time spent up to now is 294.9 secs Computing kpt #: 267 total cpu time spent up to now is 295.6 secs Computing kpt #: 268 total cpu time spent up to now is 296.3 secs Computing kpt #: 269 total cpu time spent up to now is 297.0 secs Computing kpt #: 270 total cpu time spent up to now is 297.8 secs Computing kpt #: 271 total cpu time spent up to now is 299.0 secs Computing kpt #: 272 total cpu time spent up to now is 299.8 secs Computing kpt #: 273 total cpu time spent up to now is 300.5 secs Computing kpt #: 274 total cpu time spent up to now is 301.3 secs Computing kpt #: 275 total cpu time spent up to now is 302.3 secs Computing kpt #: 276 total cpu time spent up to now is 303.7 secs Computing kpt #: 277 total cpu time spent up to now is 304.4 secs Computing kpt #: 278 total cpu time spent up to now is 305.2 secs Computing kpt #: 279 total cpu time spent up to now is 305.9 secs Computing kpt #: 280 total cpu time spent up to now is 306.6 secs Computing kpt #: 281 total cpu time spent up to now is 307.4 secs Computing kpt #: 282 total cpu time spent up to now is 308.6 secs Computing kpt #: 283 total cpu time spent up to now is 309.5 secs Computing kpt #: 284 total cpu time spent up to now is 310.5 secs Computing kpt #: 285 total cpu time spent up to now is 311.4 secs Computing kpt #: 286 total cpu time spent up to now is 312.2 secs Computing kpt #: 287 total cpu time spent up to now is 313.0 secs Computing kpt #: 288 total cpu time spent up to now is 313.8 secs Computing kpt #: 289 total cpu time spent up to now is 314.7 secs Computing kpt #: 290 total cpu time spent up to now is 315.7 secs Computing kpt #: 291 total cpu time spent up to now is 316.7 secs Computing kpt #: 292 total cpu time spent up to now is 317.7 secs Computing kpt #: 293 total cpu time spent up to now is 318.7 secs Computing kpt #: 294 total cpu time spent up to now is 319.8 secs Computing kpt #: 295 total cpu time spent up to now is 320.8 secs Computing kpt #: 296 total cpu time spent up to now is 321.9 secs Computing kpt #: 297 total cpu time spent up to now is 323.0 secs Computing kpt #: 298 total cpu time spent up to now is 324.1 secs Computing kpt #: 299 total cpu time spent up to now is 325.3 secs Computing kpt #: 300 total cpu time spent up to now is 326.4 secs Computing kpt #: 301 total cpu time spent up to now is 327.4 secs Computing kpt #: 302 total cpu time spent up to now is 328.4 secs Computing kpt #: 303 total cpu time spent up to now is 329.4 secs Computing kpt #: 304 total cpu time spent up to now is 330.7 secs Computing kpt #: 305 total cpu time spent up to now is 332.2 secs Computing kpt #: 306 total cpu time spent up to now is 334.0 secs Computing kpt #: 307 total cpu time spent up to now is 334.7 secs Computing kpt #: 308 total cpu time spent up to now is 335.5 secs Computing kpt #: 309 total cpu time spent up to now is 336.3 secs Computing kpt #: 310 total cpu time spent up to now is 337.5 secs Computing kpt #: 311 total cpu time spent up to now is 338.4 secs Computing kpt #: 312 total cpu time spent up to now is 339.3 secs Computing kpt #: 313 total cpu time spent up to now is 340.3 secs Computing kpt #: 314 total cpu time spent up to now is 342.2 secs Computing kpt #: 315 total cpu time spent up to now is 343.7 secs Computing kpt #: 316 total cpu time spent up to now is 345.0 secs Computing kpt #: 317 total cpu time spent up to now is 346.7 secs Computing kpt #: 318 total cpu time spent up to now is 348.5 secs Computing kpt #: 319 total cpu time spent up to now is 350.1 secs Computing kpt #: 320 total cpu time spent up to now is 351.4 secs Computing kpt #: 321 total cpu time spent up to now is 352.7 secs Computing kpt #: 322 total cpu time spent up to now is 354.0 secs Computing kpt #: 323 total cpu time spent up to now is 355.3 secs Computing kpt #: 324 total cpu time spent up to now is 356.8 secs Computing kpt #: 325 total cpu time spent up to now is 358.0 secs Computing kpt #: 326 total cpu time spent up to now is 359.1 secs Computing kpt #: 327 total cpu time spent up to now is 360.3 secs Computing kpt #: 328 total cpu time spent up to now is 361.3 secs Computing kpt #: 329 total cpu time spent up to now is 362.3 secs Computing kpt #: 330 total cpu time spent up to now is 363.3 secs Computing kpt #: 331 total cpu time spent up to now is 364.4 secs Computing kpt #: 332 total cpu time spent up to now is 365.4 secs Computing kpt #: 333 total cpu time spent up to now is 366.2 secs Computing kpt #: 334 total cpu time spent up to now is 366.9 secs Computing kpt #: 335 total cpu time spent up to now is 367.6 secs Computing kpt #: 336 total cpu time spent up to now is 368.5 secs Computing kpt #: 337 total cpu time spent up to now is 369.5 secs Computing kpt #: 338 total cpu time spent up to now is 370.2 secs Computing kpt #: 339 total cpu time spent up to now is 371.0 secs Computing kpt #: 340 total cpu time spent up to now is 371.8 secs Computing kpt #: 341 total cpu time spent up to now is 372.7 secs Computing kpt #: 342 total cpu time spent up to now is 373.5 secs Computing kpt #: 343 total cpu time spent up to now is 374.3 secs Computing kpt #: 344 total cpu time spent up to now is 375.0 secs Computing kpt #: 345 total cpu time spent up to now is 375.7 secs Computing kpt #: 346 total cpu time spent up to now is 376.4 secs Computing kpt #: 347 total cpu time spent up to now is 377.2 secs Computing kpt #: 348 total cpu time spent up to now is 377.9 secs Computing kpt #: 349 total cpu time spent up to now is 378.7 secs Computing kpt #: 350 total cpu time spent up to now is 379.6 secs Computing kpt #: 351 total cpu time spent up to now is 380.4 secs Computing kpt #: 352 total cpu time spent up to now is 381.1 secs Computing kpt #: 353 total cpu time spent up to now is 381.8 secs Computing kpt #: 354 total cpu time spent up to now is 382.6 secs Computing kpt #: 355 total cpu time spent up to now is 383.4 secs Computing kpt #: 356 total cpu time spent up to now is 384.4 secs Computing kpt #: 357 total cpu time spent up to now is 385.3 secs Computing kpt #: 358 total cpu time spent up to now is 386.2 secs Computing kpt #: 359 total cpu time spent up to now is 387.2 secs Computing kpt #: 360 total cpu time spent up to now is 387.9 secs ethr = 3.13E-11, avg # of iterations = 28.6 total cpu time spent up to now is 388.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2333 PWs) bands (ev): -30.9209 -30.9209 -30.8475 -30.8475 -12.1438 -12.1438 -11.7828 -11.7828 -10.8604 -10.8604 -10.4568 -10.4568 -10.3463 -10.3463 -10.3265 -10.3265 -2.8709 -2.8709 -2.1498 -2.1498 7.3984 7.3984 7.4014 7.4014 7.6244 7.6244 7.7122 7.7122 7.8997 7.8997 7.9176 7.9176 11.4736 11.4736 13.5478 13.5478 13.5523 13.5523 14.4643 14.4643 k = 0.0102 0.0059-0.0000 ( 2333 PWs) bands (ev): -30.9209 -30.9209 -30.8474 -30.8474 -12.1477 -12.1400 -11.7832 -11.7829 -10.8658 -10.8552 -10.4572 -10.4572 -10.3468 -10.3468 -10.3269 -10.3265 -2.8699 -2.8698 -2.1522 -2.1461 7.3968 7.3978 7.4013 7.4015 7.6243 7.6252 7.7124 7.7135 7.8981 7.9018 7.9180 7.9181 11.4781 11.4781 13.5425 13.5453 13.5499 13.5504 14.4586 14.4616 k = 0.0204 0.0118-0.0000 ( 2331 PWs) bands (ev): -30.9207 -30.9207 -30.8474 -30.8474 -12.1515 -12.1361 -11.7842 -11.7836 -10.8715 -10.8502 -10.4583 -10.4582 -10.3483 -10.3482 -10.3276 -10.3270 -2.8668 -2.8667 -2.1534 -2.1413 7.3910 7.3927 7.4032 7.4037 7.6249 7.6266 7.7139 7.7160 7.8966 7.9046 7.9190 7.9199 11.4914 11.4915 13.5273 13.5312 13.5454 13.5479 14.4446 14.4503 k = 0.0306 0.0177-0.0000 ( 2327 PWs) bands (ev): -30.9204 -30.9204 -30.8472 -30.8472 -12.1553 -12.1323 -11.7858 -11.7849 -10.8774 -10.8455 -10.4602 -10.4600 -10.3508 -10.3507 -10.3287 -10.3278 -2.8617 -2.8615 -2.1533 -2.1352 7.3811 7.3834 7.4073 7.4079 7.6261 7.6289 7.7168 7.7198 7.8944 7.9073 7.9214 7.9238 11.5135 11.5136 13.5019 13.5068 13.5395 13.5440 14.4230 14.4311 k = 0.0408 0.0236-0.0000 ( 2327 PWs) bands (ev): -30.9200 -30.9200 -30.8471 -30.8471 -12.1591 -12.1285 -11.7879 -11.7867 -10.8836 -10.8410 -10.4628 -10.4625 -10.3546 -10.3541 -10.3301 -10.3289 -2.8546 -2.8543 -2.1520 -2.1279 7.3676 7.3703 7.4130 7.4138 7.6281 7.6319 7.7208 7.7247 7.8915 7.9088 7.9265 7.9300 11.5440 11.5442 13.4671 13.4729 13.5322 13.5384 14.3949 14.4047 k = 0.0510 0.0295-0.0000 ( 2327 PWs) bands (ev): -30.9195 -30.9195 -30.8469 -30.8469 -12.1630 -12.1248 -11.7906 -11.7890 -10.8901 -10.8367 -10.4662 -10.4656 -10.3595 -10.3587 -10.3316 -10.3302 -2.8455 -2.8451 -2.1495 -2.1195 7.3510 7.3539 7.4203 7.4213 7.6309 7.6359 7.7259 7.7304 7.8878 7.9087 7.9346 7.9384 11.5827 11.5829 13.4237 13.4301 13.5235 13.5314 14.3612 14.3722 k = 0.0612 0.0353-0.0000 ( 2323 PWs) bands (ev): -30.9189 -30.9189 -30.8466 -30.8466 -12.1667 -12.1211 -11.7938 -11.7918 -10.8967 -10.8326 -10.4704 -10.4693 -10.3656 -10.3643 -10.3332 -10.3317 -2.8346 -2.8339 -2.1458 -2.1100 7.3315 7.3344 7.4293 7.4304 7.6346 7.6407 7.7319 7.7368 7.8837 7.9076 7.9453 7.9492 11.6291 11.6295 13.3725 13.3793 13.5136 13.5230 14.3232 14.3346 k = 0.0714 0.0412-0.0000 ( 2327 PWs) bands (ev): -30.9181 -30.9181 -30.8463 -30.8463 -12.1705 -12.1174 -11.7977 -11.7952 -10.9037 -10.8287 -10.4752 -10.4736 -10.3729 -10.3710 -10.3350 -10.3334 -2.8217 -2.8209 -2.1410 -2.0995 7.3094 7.3122 7.4397 7.4410 7.6392 7.6464 7.7387 7.7434 7.8796 7.9060 7.9582 7.9620 11.6829 11.6834 13.3144 13.3213 13.5029 13.5137 14.2818 14.2931 k = 0.0816 0.0471-0.0000 ( 2335 PWs) bands (ev): -30.9173 -30.9173 -30.8460 -30.8460 -12.1743 -12.1138 -11.8021 -11.7990 -10.9108 -10.8250 -10.4808 -10.4783 -10.3813 -10.3787 -10.3370 -10.3352 -2.8072 -2.8060 -2.1351 -2.0881 7.2852 7.2877 7.4517 7.4531 7.6447 7.6528 7.7461 7.7498 7.8759 7.9042 7.9732 7.9769 11.7435 11.7441 13.2503 13.2571 13.4916 13.5038 14.2380 14.2487 k = 0.0918 0.0530-0.0000 ( 2339 PWs) bands (ev): -30.9163 -30.9163 -30.8456 -30.8456 -12.1780 -12.1103 -11.8070 -11.8034 -10.9182 -10.8215 -10.4870 -10.4835 -10.3907 -10.3873 -10.3390 -10.3371 -2.7909 -2.7894 -2.1282 -2.0757 7.2594 7.2613 7.4650 7.4666 7.6514 7.6600 7.7540 7.7555 7.8735 7.9027 7.9900 7.9936 11.8103 11.8111 13.1811 13.1876 13.4800 13.4934 14.1926 14.2024 k = 0.1020 0.0589-0.0000 ( 2337 PWs) bands (ev): -30.9153 -30.9153 -30.8452 -30.8452 -12.1817 -12.1069 -11.8126 -11.8082 -10.9257 -10.8181 -10.4938 -10.4891 -10.4012 -10.3968 -10.3413 -10.3392 -2.7731 -2.7711 -2.1203 -2.0626 7.2321 7.2335 7.4797 7.4813 7.6591 7.6678 7.7595 7.7620 7.8732 7.9020 8.0087 8.0123 11.8828 11.8837 13.1077 13.1137 13.4684 13.4831 14.1465 14.1550 k = 0.1122 0.0648-0.0000 ( 2333 PWs) bands (ev): -30.9141 -30.9141 -30.8447 -30.8447 -12.1854 -12.1036 -11.8186 -11.8134 -10.9334 -10.8148 -10.5013 -10.4951 -10.4127 -10.4071 -10.3437 -10.3415 -2.7538 -2.7513 -2.1115 -2.0487 7.2040 7.2047 7.4956 7.4974 7.6678 7.6758 7.7612 7.7701 7.8759 7.9025 8.0293 8.0329 11.9603 11.9614 13.0310 13.0364 13.4573 13.4731 14.1002 14.1071 k = 0.1224 0.0707-0.0000 ( 2337 PWs) bands (ev): -30.9129 -30.9129 -30.8442 -30.8442 -12.1890 -12.1005 -11.8252 -11.8191 -10.9413 -10.8117 -10.5092 -10.5014 -10.4250 -10.4181 -10.3463 -10.3439 -2.7331 -2.7300 -2.1018 -2.0342 7.1752 7.1752 7.5127 7.5146 7.6776 7.6838 7.7601 7.7780 7.8820 7.9048 8.0515 8.0551 12.0422 12.0435 12.9518 12.9564 13.4469 13.4637 14.0542 14.0594 k = 0.1327 0.0766-0.0000 ( 2331 PWs) bands (ev): -30.9116 -30.9116 -30.8437 -30.8437 -12.1926 -12.0975 -11.8323 -11.8252 -10.9492 -10.8087 -10.5177 -10.5079 -10.4381 -10.4297 -10.3490 -10.3465 -2.7112 -2.7074 -2.0914 -2.0191 7.1455 7.1463 7.5309 7.5328 7.6882 7.6910 7.7564 7.7860 7.8917 7.9095 8.0755 8.0791 12.1277 12.1293 12.8709 12.8748 13.4375 13.4552 14.0089 14.0125 k = 0.1429 0.0825-0.0000 ( 2323 PWs) bands (ev): -30.9101 -30.9101 -30.8431 -30.8431 -12.1962 -12.0947 -11.8400 -11.8317 -10.9573 -10.8058 -10.5266 -10.5146 -10.4520 -10.4419 -10.3519 -10.3492 -2.6881 -2.6835 -2.0803 -2.0035 7.1157 7.1175 7.5500 7.5520 7.6969 7.6991 7.7512 7.7944 7.9046 7.9169 8.1010 8.1046 12.2162 12.2179 12.7891 12.7922 13.4295 13.4480 13.9649 13.9666 k = 0.1531 0.0884-0.0000 ( 2323 PWs) bands (ev): -30.9086 -30.9086 -30.8426 -30.8426 -12.1998 -12.0921 -11.8481 -11.8386 -10.9653 -10.8029 -10.5359 -10.5214 -10.4665 -10.4546 -10.3550 -10.3521 -2.6639 -2.6585 -2.0686 -1.9876 7.0863 7.0890 7.5700 7.5720 7.7004 7.7084 7.7467 7.8039 7.9201 7.9271 8.1280 8.1316 12.3065 12.3085 12.7072 12.7095 13.4230 13.4424 13.9224 13.9224 k = 0.1633 0.0943-0.0000 ( 2327 PWs) bands (ev): -30.9071 -30.9071 -30.8420 -30.8420 -12.2033 -12.0896 -11.8567 -11.8459 -10.9734 -10.8002 -10.5456 -10.5284 -10.4817 -10.4677 -10.3583 -10.3552 -2.6389 -2.6325 -2.0564 -1.9715 7.0575 7.0613 7.5907 7.5926 7.7011 7.7115 7.7483 7.8154 7.9378 7.9400 8.1564 8.1601 12.3971 12.3991 12.6268 12.6283 13.4185 13.4386 13.8801 13.8819 k = 0.1735 0.1002-0.0000 ( 2331 PWs) bands (ev): -30.9055 -30.9055 -30.8414 -30.8414 -12.2068 -12.0875 -11.8657 -11.8534 -10.9814 -10.7975 -10.5555 -10.5355 -10.4973 -10.4810 -10.3617 -10.3584 -2.6131 -2.6057 -2.0438 -1.9551 7.0296 7.0345 7.6121 7.6138 7.6988 7.7057 7.7588 7.8291 7.9555 7.9574 8.1862 8.1899 12.4775 12.4788 12.5578 12.5594 13.4161 13.4369 13.8403 13.8438 k = 0.1837 0.1060-0.0000 ( 2323 PWs) bands (ev): -30.9037 -30.9037 -30.8407 -30.8407 -12.2102 -12.0855 -11.8752 -11.8613 -10.9894 -10.7949 -10.5656 -10.5426 -10.5135 -10.4946 -10.3653 -10.3618 -2.5867 -2.5781 -2.0308 -1.9387 7.0029 7.0088 7.6339 7.6352 7.6937 7.6956 7.7744 7.8452 7.9733 7.9788 8.2172 8.2209 12.4504 12.4510 12.5965 12.5995 13.4161 13.4375 13.8033 13.8087 k = 0.1939 0.1119-0.0000 ( 2325 PWs) bands (ev): -30.9020 -30.9020 -30.8401 -30.8401 -12.2136 -12.0839 -11.8851 -11.8695 -10.9972 -10.7924 -10.5759 -10.5498 -10.5300 -10.5082 -10.3690 -10.3653 -2.5597 -2.5499 -2.0176 -1.9223 6.9774 6.9846 7.6553 7.6556 7.6850 7.6867 7.7925 7.8635 7.9931 8.0017 8.2493 8.2531 12.3750 12.3763 12.6836 12.6866 13.4187 13.4406 13.7699 13.7769 k = 0.2041 0.1178-0.0000 ( 2323 PWs) bands (ev): -30.9002 -30.9002 -30.8395 -30.8395 -12.2170 -12.0825 -11.8953 -11.8779 -11.0047 -10.7899 -10.5864 -10.5571 -10.5468 -10.5218 -10.3728 -10.3689 -2.5323 -2.5212 -2.0042 -1.9060 6.9535 6.9619 7.6619 7.6709 7.6843 7.6871 7.8124 7.8837 8.0147 8.0259 8.2824 8.2862 12.2984 12.3006 12.7711 12.7743 13.4241 13.4465 13.7406 13.7493 k = 0.2143 0.1237-0.0000 ( 2317 PWs) bands (ev): -30.8983 -30.8983 -30.8389 -30.8389 -12.2203 -12.0814 -11.9058 -11.8865 -11.0121 -10.7876 -10.5968 -10.5646 -10.5639 -10.5352 -10.3768 -10.3727 -2.5046 -2.4921 -1.9907 -1.8899 6.9313 6.9409 7.6503 7.6634 7.7035 7.7067 7.8337 7.9054 8.0380 8.0514 8.3165 8.3203 12.2237 12.2266 12.8551 12.8583 13.4324 13.4553 13.7164 13.7268 k = 0.2245 0.1296-0.0000 ( 2323 PWs) bands (ev): -30.8964 -30.8964 -30.8382 -30.8382 -12.2235 -12.0807 -11.9166 -11.8953 -11.0192 -10.7853 -10.6072 -10.5811 -10.5724 -10.5480 -10.3808 -10.3766 -2.4767 -2.4628 -1.9772 -1.8741 6.9108 6.9217 7.6355 7.6513 7.7259 7.7288 7.8562 7.9284 8.0628 8.0780 8.3512 8.3550 12.1516 12.1552 12.9332 12.9365 13.4438 13.4671 13.6985 13.7105 k = 0.2347 0.1355-0.0000 ( 2319 PWs) bands (ev): -30.8944 -30.8944 -30.8376 -30.8376 -12.2266 -12.0803 -11.9277 -11.9042 -11.0259 -10.7831 -10.6176 -10.5984 -10.5811 -10.5598 -10.3850 -10.3806 -2.4489 -2.4334 -1.9637 -1.8587 6.8922 6.9044 7.6198 7.6379 7.7486 7.7513 7.8799 7.9526 8.0889 8.1057 8.3867 8.3905 12.0826 12.0870 13.0032 13.0066 13.4585 13.4822 13.6883 13.7018 k = 0.2449 0.1414-0.0000 ( 2319 PWs) bands (ev): -30.8925 -30.8925 -30.8370 -30.8370 -12.2296 -12.0802 -11.9390 -11.9133 -11.0322 -10.7811 -10.6277 -10.6157 -10.5909 -10.5701 -10.3893 -10.3847 -2.4210 -2.4041 -1.9504 -1.8438 6.8756 6.8891 7.6035 7.6235 7.7712 7.7738 7.9044 7.9775 8.1163 8.1343 8.4227 8.4265 12.0171 12.0223 13.0628 13.0665 13.4766 13.5006 13.6871 13.7019 k = 0.2551 0.1473-0.0000 ( 2311 PWs) bands (ev): -30.8905 -30.8905 -30.8364 -30.8364 -12.2325 -12.0806 -11.9503 -11.9225 -11.0380 -10.7793 -10.6377 -10.6329 -10.6020 -10.5787 -10.3936 -10.3888 -2.3934 -2.3748 -1.9372 -1.8293 6.8611 6.8759 7.5867 7.6083 7.7936 7.7961 7.9299 8.0032 8.1450 8.1638 8.4591 8.4629 11.9555 11.9614 13.1104 13.1144 13.4981 13.5224 13.6961 13.7118 k = 0.2653 0.1532-0.0000 ( 2311 PWs) bands (ev): -30.8884 -30.8884 -30.8359 -30.8359 -12.2353 -12.0813 -11.9618 -11.9317 -11.0434 -10.7778 -10.6501 -10.6471 -10.6140 -10.5860 -10.3980 -10.3931 -2.3660 -2.3458 -1.9243 -1.8154 6.8486 6.8648 7.5694 7.5925 7.8155 7.8180 7.9561 8.0293 8.1746 8.1939 8.4957 8.4995 11.8981 11.9048 13.1451 13.1498 13.5231 13.5477 13.7149 13.7313 k = 0.2755 0.1591-0.0000 ( 2309 PWs) bands (ev): -30.8864 -30.8864 -30.8353 -30.8353 -12.2380 -12.0824 -11.9732 -11.9409 -11.0483 -10.7767 -10.6668 -10.6563 -10.6263 -10.5925 -10.4024 -10.3974 -2.3390 -2.3172 -1.9116 -1.8022 6.8383 6.8557 7.5518 7.5760 7.8369 7.8394 7.9828 8.0557 8.2050 8.2246 8.5324 8.5362 11.8454 11.8527 13.1677 13.1734 13.5515 13.5765 13.7421 13.7588 k = 0.2857 0.1650-0.0000 ( 2317 PWs) bands (ev): -30.8844 -30.8844 -30.8348 -30.8348 -12.2405 -12.0841 -11.9846 -11.9501 -11.0525 -10.7762 -10.6830 -10.6649 -10.6387 -10.5983 -10.4068 -10.4018 -2.3124 -2.2891 -1.8994 -1.7897 6.8301 6.8488 7.5338 7.5590 7.8578 7.8602 8.0100 8.0822 8.2361 8.2557 8.5691 8.5728 11.7974 11.8055 13.1805 13.1871 13.5835 13.6088 13.7746 13.7914 k = 0.2959 0.1708-0.0000 ( 2321 PWs) bands (ev): -30.8824 -30.8824 -30.8343 -30.8343 -12.2428 -12.0861 -11.9958 -11.9592 -11.0562 -10.7766 -10.6985 -10.6729 -10.6509 -10.6037 -10.4113 -10.4062 -2.2864 -2.2615 -1.8875 -1.7780 6.8240 6.8439 7.5155 7.5416 7.8780 7.8804 8.0375 8.1087 8.2677 8.2870 8.6055 8.6092 11.7547 11.7634 13.1858 13.1936 13.6190 13.6445 13.8090 13.8258 k = 0.3061 0.1767-0.0000 ( 2319 PWs) bands (ev): -30.8804 -30.8804 -30.8339 -30.8339 -12.2449 -12.0888 -12.0066 -11.9683 -11.0593 -10.7785 -10.7129 -10.6800 -10.6629 -10.6086 -10.4158 -10.4106 -2.2610 -2.2346 -1.8759 -1.7670 6.8200 6.8412 7.4969 7.5237 7.8974 7.8998 8.0651 8.1351 8.2995 8.3183 8.6416 8.6453 11.7174 11.7267 13.1862 13.1950 13.6579 13.6835 13.8422 13.8589 k = 0.3163 0.1826-0.0000 ( 2323 PWs) bands (ev): -30.8784 -30.8784 -30.8334 -30.8334 -12.2468 -12.0920 -12.0171 -11.9772 -11.0617 -10.7823 -10.7256 -10.6861 -10.6745 -10.6133 -10.4202 -10.4150 -2.2364 -2.2085 -1.8649 -1.7569 6.8181 6.8404 7.4781 7.5055 7.9161 7.9184 8.0928 8.1612 8.3312 8.3494 8.6771 8.6807 11.6858 11.6957 13.1835 13.1931 13.7000 13.7259 13.8713 13.8881 k = 0.3265 0.1885-0.0000 ( 2319 PWs) bands (ev): -30.8764 -30.8764 -30.8331 -30.8331 -12.2485 -12.0960 -12.0269 -11.9859 -11.0635 -10.7887 -10.7362 -10.6912 -10.6857 -10.6176 -10.4246 -10.4194 -2.2125 -2.1834 -1.8542 -1.7476 6.8182 6.8415 7.4589 7.4868 7.9339 7.9362 8.1204 8.1869 8.3625 8.3800 8.7120 8.7155 11.6601 11.6706 13.1790 13.1894 13.7453 13.7713 13.8945 13.9113 k = 0.3367 0.1944-0.0000 ( 2323 PWs) bands (ev): -30.8745 -30.8745 -30.8327 -30.8327 -12.2499 -12.1007 -12.0360 -11.9944 -11.0645 -10.7978 -10.7445 -10.6965 -10.6949 -10.6217 -10.4289 -10.4238 -2.1895 -2.1592 -1.8441 -1.7393 6.8201 6.8445 7.4395 7.4679 7.9507 7.9530 8.1477 8.2120 8.3933 8.4099 8.7461 8.7495 11.6405 11.6514 13.1738 13.1848 13.7934 13.8197 13.9101 13.9269 k = 0.3469 0.2003-0.0000 ( 2317 PWs) bands (ev): -30.8727 -30.8727 -30.8324 -30.8324 -12.2510 -12.1062 -12.0442 -12.0027 -11.0649 -10.8091 -10.7512 -10.7067 -10.6974 -10.6255 -10.4331 -10.4281 -2.1673 -2.1361 -1.8343 -1.7318 6.8240 6.8494 7.4199 7.4486 7.9667 7.9689 8.1746 8.2365 8.4231 8.4389 8.7791 8.7824 11.6271 11.6384 13.1684 13.1799 13.8437 13.8707 13.9174 13.9337 k = 0.3571 0.2062-0.0000 ( 2305 PWs) bands (ev): -30.8708 -30.8708 -30.8322 -30.8322 -12.2518 -12.1126 -12.0514 -12.0107 -11.0646 -10.8218 -10.7568 -10.7165 -10.6986 -10.6291 -10.4372 -10.4323 -2.1461 -2.1141 -1.8250 -1.7253 6.8296 6.8559 7.4000 7.4291 7.9816 7.9838 8.2010 8.2602 8.4519 8.4667 8.8110 8.8141 11.6199 11.6316 13.1633 13.1752 13.8911 13.9205 13.9226 13.9324 k = 0.3673 0.2121-0.0000 ( 2309 PWs) bands (ev): -30.8691 -30.8691 -30.8320 -30.8319 -12.2523 -12.1197 -12.0577 -12.0184 -11.0636 -10.8352 -10.7619 -10.7257 -10.6988 -10.6324 -10.4411 -10.4365 -2.1259 -2.0935 -1.8161 -1.7198 6.8369 6.8639 7.3799 7.4092 7.9956 7.9976 8.2266 8.2830 8.4791 8.4931 8.8415 8.8444 11.6188 11.6308 13.1588 13.1708 13.8948 13.9170 13.9591 13.9805 k = 0.3776 0.2180-0.0000 ( 2311 PWs) bands (ev): -30.8674 -30.8674 -30.8318 -30.8318 -12.2524 -12.1275 -12.0630 -12.0257 -11.0620 -10.8489 -10.7666 -10.7344 -10.6982 -10.6356 -10.4449 -10.4405 -2.1068 -2.0742 -1.8076 -1.7151 6.8457 6.8734 7.3597 7.3892 8.0085 8.0104 8.2514 8.3047 8.5047 8.5178 8.8704 8.8732 11.6238 11.6359 13.1549 13.1670 13.8729 13.8938 14.0152 14.0376 k = 0.3878 0.2239-0.0000 ( 2305 PWs) bands (ev): -30.8657 -30.8657 -30.8317 -30.8316 -12.2521 -12.1358 -12.0674 -12.0327 -11.0596 -10.8626 -10.7711 -10.7425 -10.6968 -10.6386 -10.4485 -10.4443 -2.0888 -2.0564 -1.7995 -1.7114 6.8560 6.8842 7.3395 7.3690 8.0204 8.0222 8.2753 8.3253 8.5285 8.5408 8.8977 8.9004 11.6346 11.6468 13.1519 13.1638 13.8403 13.8608 14.0737 14.0960 k = 0.3980 0.2298-0.0000 ( 2304 PWs) bands (ev): -30.8642 -30.8642 -30.8316 -30.8316 -12.2515 -12.1443 -12.0712 -12.0393 -11.0566 -10.8762 -10.7753 -10.7501 -10.6950 -10.6415 -10.4519 -10.4480 -2.0719 -2.0401 -1.7917 -1.7087 6.8676 6.8961 7.3193 7.3488 8.0313 8.0330 8.2980 8.3445 8.5503 8.5617 8.9232 8.9257 11.6508 11.6628 13.1496 13.1612 13.7989 13.8190 14.1331 14.1550 k = 0.4082 0.2357-0.0000 ( 2304 PWs) bands (ev): -30.8628 -30.8628 -30.8315 -30.8315 -12.2504 -12.1530 -12.0743 -12.0455 -11.0529 -10.8896 -10.7791 -10.7570 -10.6927 -10.6442 -10.4551 -10.4514 -2.0561 -2.0255 -1.7841 -1.7068 6.8803 6.9089 7.2991 7.3285 8.0411 8.0427 8.3194 8.3622 8.5700 8.5806 8.9468 8.9490 11.6717 11.6836 13.1479 13.1592 13.7505 13.7700 14.1927 14.2138 k = 0.4184 0.2415-0.0000 ( 2308 PWs) bands (ev): -30.8615 -30.8615 -30.8315 -30.8315 -12.2489 -12.1616 -12.0768 -12.0512 -11.0486 -10.9027 -10.7826 -10.7633 -10.6902 -10.6468 -10.4579 -10.4546 -2.0416 -2.0126 -1.7768 -1.7059 6.8939 6.9224 7.2793 7.3082 8.0498 8.0513 8.3394 8.3783 8.5876 8.5973 8.9683 8.9703 11.6966 11.7081 13.1468 13.1575 13.6970 13.7156 14.2515 14.2715 k = 0.4286 0.2474-0.0000 ( 2308 PWs) bands (ev): -30.8602 -30.8602 -30.8315 -30.8315 -12.2470 -12.1701 -12.0789 -12.0565 -11.0436 -10.9154 -10.7856 -10.7690 -10.6875 -10.6494 -10.4605 -10.4576 -2.0284 -2.0014 -1.7697 -1.7058 6.9083 6.9364 7.2599 7.2882 8.0576 8.0589 8.3579 8.3926 8.6030 8.6118 8.9875 8.9893 11.7246 11.7355 13.1461 13.1560 13.6409 13.6582 14.3085 14.3271 k = 0.4388 0.2533-0.0000 ( 2312 PWs) bands (ev): -30.8592 -30.8592 -30.8316 -30.8316 -12.2446 -12.1783 -12.0804 -12.0613 -11.0380 -10.9277 -10.7881 -10.7741 -10.6847 -10.6519 -10.4628 -10.4602 -2.0164 -1.9921 -1.7628 -1.7065 6.9232 6.9504 7.2413 7.2686 8.0642 8.0654 8.3746 8.4050 8.6163 8.6241 9.0045 9.0060 11.7544 11.7645 13.1456 13.1546 13.5848 13.6004 14.3625 14.3795 k = 0.4490 0.2592-0.0000 ( 2316 PWs) bands (ev): -30.8582 -30.8582 -30.8316 -30.8316 -12.2417 -12.1863 -12.0815 -12.0656 -11.0318 -10.9397 -10.7901 -10.7786 -10.6818 -10.6545 -10.4647 -10.4626 -2.0058 -1.9846 -1.7560 -1.7081 6.9382 6.9639 7.2240 7.2497 8.0699 8.0708 8.3895 8.4152 8.6276 8.6343 9.0190 9.0203 11.7845 11.7936 13.1451 13.1529 13.5313 13.5450 14.4123 14.4273 k = 0.4592 0.2651-0.0000 ( 2318 PWs) bands (ev): -30.8574 -30.8574 -30.8317 -30.8317 -12.2384 -12.1939 -12.0821 -12.0694 -11.0250 -10.9511 -10.7916 -10.7825 -10.6789 -10.6570 -10.4663 -10.4646 -1.9966 -1.9790 -1.7495 -1.7104 6.9531 6.9765 7.2085 7.2318 8.0745 8.0753 8.4024 8.4233 8.6368 8.6424 9.0310 9.0320 11.8132 11.8211 13.1444 13.1510 13.4833 13.4947 14.4565 14.4690 k = 0.4694 0.2710-0.0000 ( 2318 PWs) bands (ev): -30.8568 -30.8568 -30.8317 -30.8317 -12.2345 -12.2011 -12.0822 -12.0727 -11.0177 -10.9621 -10.7925 -10.7858 -10.6759 -10.6595 -10.4675 -10.4662 -1.9888 -1.9752 -1.7432 -1.7135 6.9672 6.9870 7.1957 7.2154 8.0781 8.0787 8.4132 8.4291 8.6441 8.6484 9.0404 9.0412 11.8387 11.8450 13.1434 13.1486 13.4435 13.4523 14.4934 14.5032 k = 0.4796 0.2769-0.0000 ( 2314 PWs) bands (ev): -30.8563 -30.8563 -30.8317 -30.8317 -12.2302 -12.2078 -12.0819 -12.0756 -11.0097 -10.9727 -10.7929 -10.7884 -10.6731 -10.6621 -10.4683 -10.4674 -1.9824 -1.9732 -1.7372 -1.7172 6.9797 6.9944 7.1866 7.2012 8.0808 8.0812 8.4218 8.4325 8.6495 8.6524 9.0473 9.0479 11.8591 11.8635 13.1425 13.1461 13.4139 13.4199 14.5217 14.5284 k = 0.4898 0.2828-0.0000 ( 2322 PWs) bands (ev): -30.8561 -30.8561 -30.8318 -30.8318 -12.2253 -12.2141 -12.0810 -12.0779 -11.0013 -10.9827 -10.7927 -10.7904 -10.6702 -10.6648 -10.4687 -10.4682 -1.9777 -1.9730 -1.7315 -1.7214 6.9896 6.9975 7.1825 7.1903 8.0824 8.0826 8.4281 8.4335 8.6529 8.6544 9.0515 9.0518 11.8726 11.8748 13.1419 13.1438 13.3962 13.3993 14.5401 14.5434 k = 0.5000 0.2887-0.0000 ( 2324 PWs) bands (ev): -30.8560 -30.8560 -30.8318 -30.8318 -12.2200 -12.2200 -12.0797 -12.0797 -10.9923 -10.9923 -10.7919 -10.7919 -10.6675 -10.6675 -10.4687 -10.4687 -1.9745 -1.9745 -1.7263 -1.7263 6.9958 6.9958 7.1838 7.1838 8.0830 8.0830 8.4320 8.4320 8.6546 8.6546 9.0530 9.0530 11.8780 11.8780 13.1423 13.1423 13.3913 13.3913 14.5474 14.5474 k = 0.5000 0.2887-0.0000 ( 2324 PWs) bands (ev): -30.8560 -30.8560 -30.8318 -30.8318 -12.2200 -12.2200 -12.0797 -12.0797 -10.9923 -10.9923 -10.7919 -10.7919 -10.6675 -10.6675 -10.4687 -10.4687 -1.9745 -1.9745 -1.7263 -1.7263 6.9958 6.9958 7.1838 7.1838 8.0830 8.0830 8.4320 8.4320 8.6546 8.6546 9.0530 9.0530 11.8780 11.8780 13.1423 13.1423 13.3913 13.3913 14.5474 14.5474 k = 0.4943 0.2986-0.0000 ( 2324 PWs) bands (ev): -30.8559 -30.8559 -30.8318 -30.8318 -12.2248 -12.2151 -12.0822 -12.0772 -10.9966 -10.9878 -10.7968 -10.7872 -10.6699 -10.6653 -10.4701 -10.4678 -1.9764 -1.9718 -1.7269 -1.7253 6.9955 6.9985 7.1856 7.1856 8.0809 8.0830 8.4296 8.4332 8.6541 8.6545 9.0525 9.0526 11.8791 11.8807 13.1393 13.1415 13.3864 13.3874 14.5157 14.5191 k = 0.4885 0.3086-0.0000 ( 2322 PWs) bands (ev): -30.8559 -30.8559 -30.8318 -30.8318 -12.2294 -12.2101 -12.0848 -12.0748 -11.0007 -10.9832 -10.8020 -10.7828 -10.6726 -10.6635 -10.4722 -10.4677 -1.9775 -1.9682 -1.7271 -1.7239 6.9975 7.0035 7.1910 7.1911 8.0767 8.0809 8.4259 8.4332 8.6530 8.6538 9.0512 9.0513 11.8840 11.8873 13.1322 13.1366 13.3730 13.3752 14.4670 14.4709 k = 0.4828 0.3185-0.0000 ( 2318 PWs) bands (ev): -30.8557 -30.8557 -30.8318 -30.8318 -12.2339 -12.2050 -12.0874 -12.0725 -11.0047 -10.9785 -10.8076 -10.7786 -10.6756 -10.6620 -10.4749 -10.4681 -1.9778 -1.9639 -1.7270 -1.7221 7.0017 7.0107 7.2001 7.2003 8.0706 8.0768 8.4212 8.4319 8.6513 8.6525 9.0490 9.0492 11.8927 11.8976 13.1204 13.1269 13.3525 13.3557 14.4145 14.4187 k = 0.4770 0.3285-0.0000 ( 2314 PWs) bands (ev): -30.8555 -30.8555 -30.8318 -30.8318 -12.2383 -12.1999 -12.0899 -12.0703 -11.0086 -10.9736 -10.8135 -10.7746 -10.6787 -10.6609 -10.4782 -10.4691 -1.9772 -1.9587 -1.7264 -1.7200 7.0083 7.0202 7.2128 7.2130 8.0626 8.0708 8.4153 8.4294 8.6490 8.6506 9.0459 9.0461 11.9050 11.9115 13.1027 13.1112 13.3271 13.3312 14.3603 14.3646 k = 0.4713 0.3384-0.0000 ( 2308 PWs) bands (ev): -30.8552 -30.8552 -30.8318 -30.8318 -12.2426 -12.1946 -12.0925 -12.0681 -11.0123 -10.9686 -10.8199 -10.7708 -10.6819 -10.6601 -10.4820 -10.4708 -1.9760 -1.9527 -1.7255 -1.7176 7.0170 7.0318 7.2291 7.2293 8.0530 8.0630 8.4083 8.4257 8.6461 8.6481 9.0419 9.0420 11.9209 11.9289 13.0775 13.0877 13.2995 13.3041 14.3053 14.3096 k = 0.4655 0.3484-0.0000 ( 2308 PWs) bands (ev): -30.8549 -30.8549 -30.8319 -30.8319 -12.2467 -12.1893 -12.0951 -12.0661 -11.0158 -10.9635 -10.8266 -10.7671 -10.6853 -10.6596 -10.4864 -10.4730 -1.9740 -1.9460 -1.7242 -1.7150 7.0278 7.0455 7.2489 7.2492 8.0418 8.0535 8.4003 8.4209 8.6425 8.6450 9.0368 9.0368 11.9400 11.9497 13.0434 13.0547 13.2728 13.2771 14.2499 14.2542 k = 0.4598 0.3584-0.0000 ( 2300 PWs) bands (ev): -30.8546 -30.8546 -30.8319 -30.8319 -12.2507 -12.1840 -12.0976 -12.0642 -11.0192 -10.9583 -10.8337 -10.7636 -10.6887 -10.6595 -10.4914 -10.4758 -1.9713 -1.9386 -1.7226 -1.7121 7.0407 7.0611 7.2723 7.2726 8.0293 8.0426 8.3914 8.4149 8.6384 8.6413 9.0304 9.0306 11.9623 11.9736 12.9999 13.0114 13.2489 13.2522 14.1947 14.1989 k = 0.4540 0.3683-0.0000 ( 2300 PWs) bands (ev): -30.8542 -30.8542 -30.8320 -30.8320 -12.2545 -12.1787 -12.1001 -12.0625 -11.0224 -10.9529 -10.8412 -10.7602 -10.6921 -10.6596 -10.4968 -10.4791 -1.9681 -1.9305 -1.7207 -1.7091 7.0555 7.0785 7.2991 7.2994 8.0159 8.0306 8.3815 8.4078 8.6336 8.6370 9.0227 9.0232 11.9876 12.0005 12.9475 12.9588 13.2282 13.2300 14.1396 14.1437 k = 0.4483 0.3783-0.0000 ( 2300 PWs) bands (ev): -30.8537 -30.8537 -30.8320 -30.8320 -12.2582 -12.1733 -12.1026 -12.0610 -11.0254 -10.9475 -10.8491 -10.7569 -10.6955 -10.6600 -10.5027 -10.4829 -1.9642 -1.9218 -1.7186 -1.7059 7.0720 7.0976 7.3293 7.3296 8.0016 8.0176 8.3708 8.3997 8.6282 8.6321 9.0137 9.0145 12.0155 12.0300 12.8878 12.8986 13.2101 13.2102 14.0848 14.0887 k = 0.4425 0.3882-0.0000 ( 2308 PWs) bands (ev): -30.8532 -30.8532 -30.8321 -30.8321 -12.2618 -12.1680 -12.1050 -12.0596 -11.0283 -10.9420 -10.8574 -10.7537 -10.6989 -10.6606 -10.5089 -10.4873 -1.9598 -1.9126 -1.7162 -1.7027 7.0901 7.1181 7.3629 7.3631 7.9870 8.0039 8.3593 8.3906 8.6222 8.6266 9.0030 9.0042 12.0459 12.0619 12.8228 12.8330 13.1919 13.1937 14.0302 14.0339 k = 0.4368 0.3982-0.0000 ( 2312 PWs) bands (ev): -30.8526 -30.8526 -30.8322 -30.8322 -12.2652 -12.1628 -12.1073 -12.0585 -11.0309 -10.9366 -10.8659 -10.7506 -10.7021 -10.6613 -10.5155 -10.4920 -1.9550 -1.9028 -1.7137 -1.6995 7.1097 7.1399 7.3997 7.3998 7.9724 7.9900 8.3471 8.3807 8.6156 8.6206 8.9908 8.9924 12.0785 12.0961 12.7541 12.7640 13.1745 13.1782 13.9757 13.9791 k = 0.4310 0.4081-0.0000 ( 2312 PWs) bands (ev): -30.8520 -30.8520 -30.8323 -30.8323 -12.2684 -12.1577 -12.1094 -12.0575 -11.0333 -10.9312 -10.8746 -10.7476 -10.7053 -10.6621 -10.5223 -10.4972 -1.9498 -1.8925 -1.7110 -1.6963 7.1305 7.1627 7.4395 7.4396 7.9581 7.9761 8.3342 8.3699 8.6085 8.6140 8.9768 8.9789 12.1131 12.1322 12.6835 12.6930 13.1575 13.1628 13.9209 13.9240 k = 0.4253 0.4181-0.0000 ( 2310 PWs) bands (ev): -30.8514 -30.8514 -30.8324 -30.8324 -12.2715 -12.1527 -12.1114 -12.0568 -11.0355 -10.9260 -10.8833 -10.7448 -10.7083 -10.6629 -10.5294 -10.5027 -1.9443 -1.8819 -1.7083 -1.6932 7.1522 7.1861 7.4822 7.4826 7.9445 7.9625 8.3208 8.3585 8.6008 8.6069 8.9610 8.9635 12.1495 12.1701 12.6122 12.6215 13.1404 13.1474 13.8658 13.8685 k = 0.4195 0.4280-0.0000 ( 2314 PWs) bands (ev): -30.8508 -30.8507 -30.8326 -30.8326 -12.2744 -12.1480 -12.1131 -12.0564 -11.0374 -10.9215 -10.8916 -10.7422 -10.7113 -10.6636 -10.5366 -10.5085 -1.9385 -1.8710 -1.7055 -1.6903 7.1745 7.2099 7.5276 7.5285 7.9319 7.9495 8.3067 8.3464 8.5926 8.5992 8.9432 8.9462 12.1874 12.2095 12.5413 12.5504 13.1230 13.1315 13.8102 13.8124 k = 0.4138 0.4380-0.0000 ( 2314 PWs) bands (ev): -30.8500 -30.8500 -30.8327 -30.8327 -12.2772 -12.1437 -12.1144 -12.0562 -11.0390 -10.9190 -10.8979 -10.7398 -10.7141 -10.6641 -10.5438 -10.5147 -1.9326 -1.8598 -1.7028 -1.6876 7.1972 7.2336 7.5756 7.5771 7.9210 7.9375 8.2922 8.3338 8.5840 8.5911 8.9233 8.9268 12.2268 12.2502 12.4717 12.4808 13.1052 13.1151 13.7538 13.7555 k = 0.4080 0.4479-0.0000 ( 2318 PWs) bands (ev): -30.8493 -30.8493 -30.8329 -30.8329 -12.2798 -12.1400 -12.1151 -12.0563 -11.0403 -10.9214 -10.8995 -10.7377 -10.7168 -10.6644 -10.5511 -10.5211 -1.9266 -1.8484 -1.7001 -1.6852 7.2199 7.2568 7.6259 7.6283 7.9121 7.9270 8.2772 8.3207 8.5750 8.5826 8.9012 8.9051 12.2673 12.2919 12.4044 12.4136 13.0867 13.0981 13.6968 13.6979 k = 0.4023 0.4579-0.0000 ( 2308 PWs) bands (ev): -30.8485 -30.8485 -30.8332 -30.8332 -12.2822 -12.1371 -12.1150 -12.0566 -11.0413 -10.9282 -10.8968 -10.7358 -10.7193 -10.6643 -10.5582 -10.5277 -1.9205 -1.8370 -1.6975 -1.6832 7.2422 7.2790 7.6781 7.6818 7.9059 7.9183 8.2619 8.3073 8.5656 8.5737 8.8769 8.8811 12.3085 12.3303 12.3404 12.3536 13.0677 13.0805 13.6392 13.6395 k = 0.3966 0.4679-0.0000 ( 2312 PWs) bands (ev): -30.8478 -30.8478 -30.8334 -30.8334 -12.2844 -12.1355 -12.1138 -12.0573 -11.0420 -10.9368 -10.8924 -10.7344 -10.7218 -10.6637 -10.5651 -10.5345 -1.9146 -1.8255 -1.6951 -1.6815 7.2637 7.2998 7.7318 7.7375 7.9029 7.9116 8.2462 8.2937 8.5557 8.5643 8.8502 8.8546 12.2784 12.2858 12.3522 12.3810 13.0481 13.0622 13.5806 13.5811 k = 0.3908 0.4778-0.0000 ( 2312 PWs) bands (ev): -30.8470 -30.8470 -30.8337 -30.8337 -12.2865 -12.1349 -12.1115 -12.0581 -11.0423 -10.9457 -10.8876 -10.7333 -10.7241 -10.6627 -10.5717 -10.5415 -1.9087 -1.8141 -1.6928 -1.6803 7.2841 7.3187 7.7861 7.7948 7.9041 7.9075 8.2302 8.2801 8.5456 8.5547 8.8212 8.8258 12.2217 12.2291 12.3956 12.4253 13.0279 13.0432 13.5216 13.5229 k = 0.3851 0.4878-0.0000 ( 2314 PWs) bands (ev): -30.8462 -30.8462 -30.8340 -30.8340 -12.2884 -12.1350 -12.1085 -12.0593 -11.0421 -10.9547 -10.8827 -10.7326 -10.7264 -10.6611 -10.5778 -10.5485 -1.9031 -1.8028 -1.6908 -1.6796 7.3028 7.3352 7.8386 7.8530 7.9067 7.9115 8.2140 8.2667 8.5352 8.5447 8.7900 8.7944 12.1694 12.1766 12.4400 12.4709 13.0072 13.0238 13.4626 13.4649 k = 0.3793 0.4977-0.0000 ( 2314 PWs) bands (ev): -30.8453 -30.8453 -30.8344 -30.8344 -12.2901 -12.1357 -12.1051 -12.0607 -11.0416 -10.9636 -10.8781 -10.7323 -10.7285 -10.6589 -10.5835 -10.5556 -1.8978 -1.7917 -1.6891 -1.6794 7.3197 7.3492 7.8816 7.9006 7.9206 7.9325 8.1978 8.2540 8.5245 8.5345 8.7564 8.7606 12.1220 12.1289 12.4852 12.5172 12.9860 13.0038 13.4043 13.4076 k = 0.3736 0.5077-0.0000 ( 2318 PWs) bands (ev): -30.8445 -30.8445 -30.8348 -30.8348 -12.2917 -12.1365 -12.1015 -12.0624 -11.0406 -10.9722 -10.8737 -10.7324 -10.7305 -10.6563 -10.5886 -10.5627 -1.8929 -1.7810 -1.6877 -1.6797 7.3344 7.3604 7.9066 7.9093 7.9742 7.9768 8.1818 8.2429 8.5136 8.5239 8.7207 8.7243 12.0800 12.0864 12.5310 12.5642 12.9646 12.9836 13.3470 13.3514 k = 0.3678 0.5176-0.0000 ( 2322 PWs) bands (ev): -30.8437 -30.8437 -30.8352 -30.8352 -12.2930 -12.1374 -12.0979 -12.0643 -11.0391 -10.9804 -10.8698 -10.7327 -10.7323 -10.6531 -10.5930 -10.5697 -1.8884 -1.7706 -1.6866 -1.6805 7.3469 7.3690 7.9171 7.9250 8.0229 8.0358 8.1672 8.2352 8.5024 8.5131 8.6831 8.6858 12.0436 12.0494 12.5774 12.6116 12.9431 12.9632 13.2915 13.2969 k = 0.3621 0.5276-0.0000 ( 2316 PWs) bands (ev): -30.8428 -30.8428 -30.8357 -30.8357 -12.2942 -12.1383 -12.0944 -12.0664 -11.0372 -10.9882 -10.8663 -10.7339 -10.7332 -10.6495 -10.5967 -10.5767 -1.8844 -1.7608 -1.6858 -1.6818 7.3571 7.3751 7.9273 7.9439 8.0663 8.0877 8.1603 8.2355 8.4910 8.5021 8.6437 8.6454 12.0130 12.0181 12.6240 12.6594 12.9217 12.9429 13.2382 13.2448 k = 0.3563 0.5375-0.0000 ( 2318 PWs) bands (ev): -30.8420 -30.8420 -30.8362 -30.8362 -12.2951 -12.1391 -12.0910 -12.0687 -11.0347 -10.9956 -10.8634 -10.7352 -10.7339 -10.6457 -10.5996 -10.5834 -1.8810 -1.7518 -1.6854 -1.6836 7.3651 7.3789 7.9397 7.9645 8.0945 8.1057 8.1868 8.2512 8.4794 8.4907 8.6029 8.6031 11.9882 11.9925 12.6705 12.7070 12.9008 12.9229 13.1881 13.1957 k = 0.3506 0.5475-0.0000 ( 2316 PWs) bands (ev): -30.8412 -30.8412 -30.8368 -30.8368 -12.2958 -12.1398 -12.0877 -12.0712 -11.0317 -11.0024 -10.8611 -10.7362 -10.7346 -10.6418 -10.6016 -10.5898 -1.8782 -1.7437 -1.6855 -1.6854 7.3712 7.3810 7.9538 7.9868 8.0952 8.1031 8.2411 8.2858 8.4674 8.4791 8.5595 8.5611 11.9694 11.9728 12.7159 12.7534 12.8808 12.9035 13.1424 13.1508 k = 0.3448 0.5574-0.0000 ( 2316 PWs) bands (ev): -30.8404 -30.8404 -30.8374 -30.8374 -12.2964 -12.1403 -12.0847 -12.0737 -11.0282 -11.0087 -10.8595 -10.7368 -10.7353 -10.6381 -10.6027 -10.5954 -1.8762 -1.7371 -1.6872 -1.6858 7.3755 7.3817 7.9686 8.0103 8.0789 8.0979 8.3005 8.3329 8.4549 8.4669 8.5153 8.5190 11.9565 11.9588 12.7583 12.7966 12.8625 12.8852 13.1035 13.1118 k = 0.3391 0.5674-0.0000 ( 2302 PWs) bands (ev): -30.8396 -30.8396 -30.8381 -30.8381 -12.2967 -12.1406 -12.0817 -12.0763 -11.0241 -11.0144 -10.8585 -10.7369 -10.7360 -10.6352 -10.6029 -10.5999 -1.8749 -1.7326 -1.6882 -1.6866 7.3785 7.3814 7.9821 8.0340 8.0626 8.0857 8.3600 8.3846 8.4411 8.4529 8.4728 8.4779 11.9493 11.9505 12.7922 12.8319 12.8486 12.8687 13.0760 13.0822 k = 0.3333 0.5774-0.0000 ( 2298 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2968 -12.1407 -12.0790 -12.0790 -11.0195 -11.0195 -10.8582 -10.7366 -10.7366 -10.6341 -10.6023 -10.6023 -1.8745 -1.7310 -1.6878 -1.6878 7.3803 7.3803 7.9887 8.0516 8.0516 8.0752 8.4152 8.4152 8.4233 8.4442 8.4442 8.4475 11.9473 11.9473 12.8054 12.8462 12.8462 12.8597 13.0679 13.0679 k = 0.3333 0.5774-0.0000 ( 2298 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2968 -12.1407 -12.0790 -12.0790 -11.0195 -11.0195 -10.8582 -10.7366 -10.7366 -10.6341 -10.6023 -10.6023 -1.8745 -1.7310 -1.6878 -1.6878 7.3803 7.3803 7.9887 8.0516 8.0516 8.0752 8.4152 8.4152 8.4233 8.4442 8.4442 8.4475 11.9473 11.9473 12.8054 12.8462 12.8462 12.8597 13.0679 13.0679 k = 0.3275 0.5672-0.0000 ( 2302 PWs) bands (ev): -30.8396 -30.8396 -30.8380 -30.8380 -12.2967 -12.1406 -12.0817 -12.0764 -11.0242 -11.0143 -10.8585 -10.7371 -10.7358 -10.6354 -10.6019 -10.6008 -1.8749 -1.7327 -1.6893 -1.6855 7.3788 7.3813 7.9799 8.0396 8.0539 8.0906 8.3755 8.3853 8.4227 8.4320 8.4775 8.4962 11.9491 11.9504 12.7988 12.8358 12.8483 12.8564 13.0756 13.0855 k = 0.3216 0.5571-0.0000 ( 2310 PWs) bands (ev): -30.8405 -30.8405 -30.8373 -30.8373 -12.2963 -12.1402 -12.0843 -12.0739 -11.0283 -11.0085 -10.8593 -10.7374 -10.7346 -10.6390 -10.5988 -10.5985 -1.8764 -1.7372 -1.6913 -1.6819 7.3770 7.3816 7.9579 8.0148 8.0665 8.1144 8.3332 8.3470 8.4079 8.4184 8.5326 8.5489 11.9553 11.9578 12.7886 12.8232 12.8393 12.8419 13.1056 13.1240 k = 0.3158 0.5470-0.0000 ( 2308 PWs) bands (ev): -30.8414 -30.8414 -30.8366 -30.8366 -12.2958 -12.1396 -12.0868 -12.0716 -11.0319 -11.0022 -10.8604 -10.7375 -10.7328 -10.6439 -10.5954 -10.5940 -1.8788 -1.7441 -1.6937 -1.6776 7.3754 7.3817 7.9287 7.9852 8.0826 8.1381 8.2936 8.3106 8.3935 8.4046 8.5852 8.5996 11.9652 11.9689 12.7790 12.8053 12.8230 12.8292 13.1507 13.1746 k = 0.3099 0.5368-0.0000 ( 2312 PWs) bands (ev): -30.8424 -30.8424 -30.8360 -30.8359 -12.2951 -12.1387 -12.0891 -12.0694 -11.0349 -10.9952 -10.8617 -10.7373 -10.7307 -10.6495 -10.5917 -10.5883 -1.8823 -1.7526 -1.6964 -1.6732 7.3739 7.3815 7.8949 7.9509 8.0988 8.1603 8.2582 8.2777 8.3788 8.3904 8.6345 8.6474 11.9777 11.9825 12.7684 12.7804 12.8081 12.8259 13.2045 13.2316 k = 0.3041 0.5267-0.0000 ( 2313 PWs) bands (ev): -30.8434 -30.8434 -30.8353 -30.8353 -12.2941 -12.1375 -12.0911 -12.0673 -11.0376 -10.9878 -10.8630 -10.7369 -10.7282 -10.6554 -10.5872 -10.5819 -1.8869 -1.7626 -1.6996 -1.6691 7.3727 7.3813 7.8571 7.9123 8.1131 8.1780 8.2299 8.2497 8.3637 8.3759 8.6803 8.6920 11.9918 11.9975 12.7524 12.7539 12.8035 12.8301 13.2633 13.2924 k = 0.2982 0.5166-0.0000 ( 2307 PWs) bands (ev): -30.8445 -30.8445 -30.8347 -30.8347 -12.2930 -12.1360 -12.0929 -12.0652 -11.0398 -10.9798 -10.8642 -10.7363 -10.7253 -10.6614 -10.5822 -10.5752 -1.8927 -1.7738 -1.7031 -1.6654 7.3719 7.3812 7.8159 7.8696 8.1235 8.1790 8.2207 8.2283 8.3481 8.3614 8.7222 8.7330 12.0064 12.0127 12.7278 12.7317 12.8109 12.8416 13.3251 13.3555 k = 0.2924 0.5064-0.0000 ( 2307 PWs) bands (ev): -30.8457 -30.8457 -30.8342 -30.8342 -12.2917 -12.1343 -12.0943 -12.0631 -11.0418 -10.9714 -10.8650 -10.7353 -10.7222 -10.6673 -10.5766 -10.5682 -1.8995 -1.7862 -1.7070 -1.6623 7.3716 7.3814 7.7719 7.8234 8.1268 8.1611 8.2161 8.2318 8.3319 8.3470 8.7601 8.7700 12.0204 12.0269 12.7030 12.7096 12.8284 12.8610 13.3885 13.4199 k = 0.2865 0.4963-0.0000 ( 2319 PWs) bands (ev): -30.8470 -30.8470 -30.8337 -30.8337 -12.2902 -12.1322 -12.0953 -12.0610 -11.0435 -10.9624 -10.8653 -10.7341 -10.7189 -10.6731 -10.5706 -10.5610 -1.9075 -1.7997 -1.7112 -1.6598 7.3719 7.3817 7.7257 7.7746 8.1217 8.1412 8.2137 8.2446 8.3154 8.3339 8.7937 8.8029 12.0327 12.0390 12.6795 12.6876 12.8553 12.8885 13.4526 13.4845 k = 0.2807 0.4862-0.0000 ( 2325 PWs) bands (ev): -30.8483 -30.8483 -30.8332 -30.8332 -12.2886 -12.1299 -12.0957 -12.0589 -11.0451 -10.9529 -10.8650 -10.7326 -10.7153 -10.6788 -10.5642 -10.5537 -1.9167 -1.8143 -1.7158 -1.6580 7.3727 7.3825 7.6780 7.7241 8.1108 8.1228 8.2176 8.2524 8.2991 8.3247 8.8229 8.8315 12.0429 12.0486 12.6573 12.6663 12.8914 12.9246 13.5162 13.5484 k = 0.2749 0.4761-0.0000 ( 2325 PWs) bands (ev): -30.8496 -30.8496 -30.8328 -30.8328 -12.2868 -12.1273 -12.0957 -12.0567 -11.0465 -10.9430 -10.8639 -10.7308 -10.7115 -10.6843 -10.5575 -10.5462 -1.9270 -1.8298 -1.7209 -1.6569 7.3741 7.3836 7.6294 7.6726 8.0976 8.1062 8.2225 8.2512 8.2841 8.3226 8.8477 8.8557 12.0505 12.0553 12.6366 12.6458 12.9361 12.9686 13.5780 13.6103 k = 0.2690 0.4659-0.0000 ( 2317 PWs) bands (ev): -30.8511 -30.8511 -30.8325 -30.8325 -12.2850 -12.1245 -12.0951 -12.0542 -11.0479 -10.9326 -10.8619 -10.7289 -10.7075 -10.6895 -10.5505 -10.5387 -1.9384 -1.8463 -1.7263 -1.6566 7.3761 7.3851 7.5805 7.6208 8.0841 8.0912 8.2229 8.2407 8.2736 8.3276 8.8680 8.8756 12.0557 12.0593 12.6170 12.6262 12.9885 13.0200 13.6368 13.6689 k = 0.2632 0.4558-0.0000 ( 2315 PWs) bands (ev): -30.8525 -30.8525 -30.8322 -30.8322 -12.2830 -12.1216 -12.0938 -12.0516 -11.0493 -10.9218 -10.8589 -10.7268 -10.7033 -10.6943 -10.5433 -10.5311 -1.9510 -1.8638 -1.7321 -1.6570 7.3787 7.3868 7.5319 7.5693 8.0710 8.0777 8.2142 8.2245 8.2712 8.3358 8.8838 8.8910 12.0587 12.0609 12.5986 12.6073 13.0472 13.0776 13.6911 13.7227 k = 0.2573 0.4457-0.0000 ( 2317 PWs) bands (ev): -30.8541 -30.8541 -30.8319 -30.8319 -12.2810 -12.1184 -12.0919 -12.0488 -11.0506 -10.9106 -10.8550 -10.7248 -10.6989 -10.6985 -10.5359 -10.5235 -1.9647 -1.8822 -1.7383 -1.6582 7.3818 7.3886 7.4843 7.5185 8.0585 8.0652 8.1981 8.2052 8.2746 8.3448 8.8952 8.9021 12.0598 12.0607 12.5814 12.5893 13.1108 13.1398 13.7398 13.7704 k = 0.2515 0.4355-0.0000 ( 2317 PWs) bands (ev): -30.8557 -30.8557 -30.8317 -30.8317 -12.2790 -12.1151 -12.0893 -12.0456 -11.0520 -10.8990 -10.8500 -10.7234 -10.7016 -10.6944 -10.5283 -10.5159 -1.9795 -1.9016 -1.7449 -1.6602 7.3853 7.3891 7.4395 7.4690 8.0467 8.0536 8.1784 8.1841 8.2797 8.3530 8.9024 8.9089 12.0594 12.0598 12.5652 12.5720 13.1775 13.2052 13.7820 13.8113 k = 0.2456 0.4254-0.0000 ( 2321 PWs) bands (ev): -30.8574 -30.8574 -30.8316 -30.8316 -12.2768 -12.1118 -12.0861 -12.0421 -11.0534 -10.8870 -10.8439 -10.7232 -10.7030 -10.6898 -10.5207 -10.5084 -1.9954 -1.9219 -1.7519 -1.6630 7.3770 7.3879 7.4091 7.4224 8.0356 8.0428 8.1568 8.1618 8.2847 8.3600 8.9053 8.9116 12.0574 12.0592 12.5502 12.5557 13.2456 13.2718 13.8174 13.8451 k = 0.2398 0.4153-0.0000 ( 2325 PWs) bands (ev): -30.8591 -30.8591 -30.8315 -30.8315 -12.2747 -12.1084 -12.0821 -12.0382 -11.0547 -10.8747 -10.8369 -10.7247 -10.7021 -10.6850 -10.5130 -10.5008 -2.0124 -1.9430 -1.7594 -1.6666 7.3398 7.3690 7.3996 7.4058 8.0251 8.0327 8.1342 8.1388 8.2885 8.3654 8.9041 8.9102 12.0554 12.0585 12.5365 12.5404 13.3131 13.3379 13.8466 13.8724 k = 0.2339 0.4052-0.0000 ( 2321 PWs) bands (ev): -30.8608 -30.8608 -30.8315 -30.8315 -12.2725 -12.1051 -12.0774 -12.0339 -11.0559 -10.8621 -10.8288 -10.7275 -10.6993 -10.6800 -10.5052 -10.4933 -2.0303 -1.9650 -1.7674 -1.6710 7.2987 7.3265 7.4029 7.4088 8.0150 8.0231 8.1111 8.1153 8.2907 8.3688 8.8992 8.9049 12.0539 12.0582 12.5243 12.5264 13.3782 13.4014 13.8703 13.8941 k = 0.2281 0.3950-0.0000 ( 2321 PWs) bands (ev): -30.8626 -30.8626 -30.8315 -30.8315 -12.2702 -12.1018 -12.0720 -12.0291 -11.0570 -10.8492 -10.8198 -10.7310 -10.6953 -10.6749 -10.4975 -10.4859 -2.0492 -1.9879 -1.7758 -1.6762 7.2587 7.2843 7.4085 7.4132 8.0054 8.0140 8.0876 8.0914 8.2912 8.3702 8.8905 8.8960 12.0534 12.0587 12.5137 12.5139 13.4387 13.4604 13.8895 13.9113 k = 0.2222 0.3849-0.0000 ( 2325 PWs) bands (ev): -30.8645 -30.8645 -30.8315 -30.8315 -12.2680 -12.0986 -12.0659 -12.0238 -11.0579 -10.8360 -10.8099 -10.7347 -10.6905 -10.6696 -10.4898 -10.4785 -2.0692 -2.0116 -1.7846 -1.6823 7.2207 7.2442 7.4149 7.4183 7.9960 8.0052 8.0641 8.0673 8.2896 8.3694 8.8783 8.8836 12.0543 12.0606 12.5033 12.5051 13.4929 13.5130 13.9053 13.9251 k = 0.2164 0.3748-0.0000 ( 2325 PWs) bands (ev): -30.8664 -30.8664 -30.8317 -30.8317 -12.2656 -12.0956 -12.0592 -12.0181 -11.0586 -10.8225 -10.7991 -10.7385 -10.6851 -10.6642 -10.4822 -10.4713 -2.0900 -2.0360 -1.7939 -1.6891 7.1850 7.2065 7.4217 7.4240 7.9869 7.9967 8.0408 8.0434 8.2859 8.3663 8.8628 8.8679 12.0568 12.0641 12.4949 12.4988 13.5390 13.5575 13.9186 13.9364 k = 0.2105 0.3646-0.0000 ( 2329 PWs) bands (ev): -30.8683 -30.8683 -30.8318 -30.8318 -12.2633 -12.0928 -12.0518 -12.0118 -11.0589 -10.8088 -10.7876 -10.7422 -10.6791 -10.6587 -10.4746 -10.4641 -2.1117 -2.0612 -1.8036 -1.6967 7.1517 7.1714 7.4289 7.4301 7.9778 7.9884 8.0179 8.0197 8.2799 8.3607 8.8442 8.8490 12.0614 12.0694 12.4890 12.4951 13.5754 13.5923 13.9298 13.9458 k = 0.2047 0.3545-0.0000 ( 2329 PWs) bands (ev): -30.8703 -30.8703 -30.8321 -30.8321 -12.2609 -12.0903 -12.0439 -12.0051 -11.0589 -10.7949 -10.7753 -10.7459 -10.6726 -10.6530 -10.4671 -10.4571 -2.1343 -2.0871 -1.8138 -1.7050 7.1212 7.1391 7.4365 7.4366 7.9683 7.9803 7.9961 7.9965 8.2715 8.3526 8.8227 8.8273 12.0682 12.0770 12.4860 12.4943 13.6007 13.6160 13.9396 13.9538 k = 0.1988 0.3444-0.0000 ( 2333 PWs) bands (ev): -30.8723 -30.8723 -30.8323 -30.8323 -12.2584 -12.0879 -12.0355 -11.9979 -11.0585 -10.7809 -10.7624 -10.7495 -10.6657 -10.6472 -10.4598 -10.4502 -2.1576 -2.1137 -1.8244 -1.7142 7.0934 7.1096 7.4433 7.4443 7.9573 7.9720 7.9742 7.9764 8.2606 8.3419 8.7986 8.8029 12.0775 12.0870 12.4863 12.4966 13.6141 13.6279 13.9483 13.9608 k = 0.1930 0.3343-0.0000 ( 2329 PWs) bands (ev): -30.8743 -30.8743 -30.8327 -30.8327 -12.2559 -12.0858 -12.0265 -11.9903 -11.0577 -10.7668 -10.7529 -10.7488 -10.6582 -10.6413 -10.4525 -10.4434 -2.1817 -2.1409 -1.8354 -1.7241 7.0686 7.0831 7.4503 7.4522 7.9427 7.9519 7.9614 7.9645 8.2474 8.3287 8.7721 8.7761 12.0895 12.0995 12.4901 12.5025 13.6151 13.6274 13.9560 13.9669 k = 0.1871 0.3241-0.0000 ( 2329 PWs) bands (ev): -30.8763 -30.8763 -30.8330 -30.8330 -12.2533 -12.0839 -12.0172 -11.9824 -11.0564 -10.7571 -10.7517 -10.7347 -10.6503 -10.6352 -10.4455 -10.4368 -2.2066 -2.1687 -1.8469 -1.7347 7.0467 7.0596 7.4574 7.4601 7.9248 7.9310 7.9505 7.9566 8.2317 8.3129 8.7433 8.7471 12.1043 12.1149 12.4977 12.5121 13.6035 13.6146 13.9630 13.9723 k = 0.1813 0.3140-0.0000 ( 2331 PWs) bands (ev): -30.8784 -30.8784 -30.8334 -30.8334 -12.2506 -12.0822 -12.0075 -11.9742 -11.0546 -10.7599 -10.7378 -10.7201 -10.6419 -10.6290 -10.4385 -10.4303 -2.2320 -2.1970 -1.8587 -1.7460 7.0278 7.0393 7.4646 7.4680 7.9062 7.9112 7.9413 7.9487 8.2136 8.2947 8.7126 8.7161 12.1221 12.1331 12.5093 12.5257 13.5797 13.5897 13.9692 13.9772 k = 0.1754 0.3039-0.0000 ( 2331 PWs) bands (ev): -30.8804 -30.8804 -30.8339 -30.8339 -12.2479 -12.0809 -11.9974 -11.9657 -11.0523 -10.7629 -10.7235 -10.7051 -10.6331 -10.6227 -10.4318 -10.4240 -2.2581 -2.2258 -1.8709 -1.7580 7.0121 7.0220 7.4717 7.4756 7.8884 7.8926 7.9327 7.9408 8.1934 8.2741 8.6802 8.6834 12.1429 12.1544 12.5251 12.5434 13.5445 13.5534 13.9748 13.9814 k = 0.1696 0.2937-0.0000 ( 2333 PWs) bands (ev): -30.8825 -30.8825 -30.8343 -30.8343 -12.2451 -12.0798 -11.9872 -11.9570 -11.0494 -10.7660 -10.7091 -10.6896 -10.6237 -10.6163 -10.4252 -10.4179 -2.2847 -2.2550 -1.8835 -1.7707 6.9994 7.0080 7.4786 7.4829 7.8717 7.8755 7.9242 7.9328 8.1709 8.2513 8.6462 8.6492 12.1669 12.1787 12.5452 12.5652 13.4986 13.5066 13.9799 13.9852 k = 0.1637 0.2836-0.0000 ( 2329 PWs) bands (ev): -30.8846 -30.8846 -30.8348 -30.8348 -12.2422 -12.0789 -11.9767 -11.9481 -11.0461 -10.7689 -10.6949 -10.6739 -10.6139 -10.6097 -10.4188 -10.4119 -2.3118 -2.2846 -1.8963 -1.7840 6.9898 6.9971 7.4853 7.4898 7.8564 7.8599 7.9158 7.9247 8.1466 8.2265 8.6111 8.6137 12.1940 12.2062 12.5696 12.5912 13.4431 13.4504 13.9844 13.9886 k = 0.1579 0.2735-0.0000 ( 2329 PWs) bands (ev): -30.8866 -30.8866 -30.8354 -30.8354 -12.2393 -12.0783 -11.9661 -11.9391 -11.0422 -10.7718 -10.6808 -10.6579 -10.6035 -10.6030 -10.4127 -10.4062 -2.3393 -2.3144 -1.9095 -1.7978 6.9833 6.9893 7.4916 7.4960 7.8427 7.8460 7.9074 7.9166 8.1206 8.2000 8.5749 8.5773 12.2245 12.2369 12.5984 12.6214 13.3791 13.3857 13.9884 13.9915 k = 0.1520 0.2634-0.0000 ( 2325 PWs) bands (ev): -30.8887 -30.8887 -30.8359 -30.8359 -12.2362 -12.0780 -11.9554 -11.9301 -11.0377 -10.7745 -10.6669 -10.6417 -10.5962 -10.5927 -10.4067 -10.4006 -2.3670 -2.3444 -1.9228 -1.8122 6.9799 6.9847 7.4974 7.5014 7.8306 7.8338 7.8989 7.9083 8.0930 8.1719 8.5380 8.5400 12.2581 12.2708 12.6312 12.6556 13.3077 13.3138 13.9921 13.9942 k = 0.1462 0.2532-0.0000 ( 2321 PWs) bands (ev): -30.8907 -30.8907 -30.8365 -30.8365 -12.2331 -12.0780 -11.9446 -11.9210 -11.0328 -10.7772 -10.6533 -10.6254 -10.5892 -10.5813 -10.4009 -10.3952 -2.3950 -2.3746 -1.9364 -1.8271 6.9795 6.9832 7.5025 7.5060 7.8203 7.8234 7.8903 7.9000 8.0643 8.1427 8.5005 8.5023 12.2950 12.3079 12.6681 12.6937 13.2300 13.2356 13.9954 13.9967 k = 0.1404 0.2431-0.0000 ( 2317 PWs) bands (ev): -30.8927 -30.8927 -30.8371 -30.8371 -12.2300 -12.0782 -11.9339 -11.9120 -11.0274 -10.7799 -10.6399 -10.6091 -10.5820 -10.5695 -10.3954 -10.3900 -2.4232 -2.4047 -1.9501 -1.8424 6.9821 6.9847 7.5069 7.5095 7.8119 7.8149 7.8817 7.8915 8.0347 8.1126 8.4627 8.4642 12.3351 12.3482 12.7089 12.7356 13.1471 13.1522 13.9985 13.9991 k = 0.1345 0.2330-0.0000 ( 2305 PWs) bands (ev): -30.8947 -30.8947 -30.8377 -30.8377 -12.2267 -12.0787 -11.9233 -11.9030 -11.0216 -10.7825 -10.6269 -10.5931 -10.5743 -10.5573 -10.3900 -10.3850 -2.4514 -2.4348 -1.9639 -1.8581 6.9876 6.9892 7.5105 7.5120 7.8053 7.8079 7.8728 7.8830 8.0045 8.0821 8.4249 8.4261 12.3783 12.3915 12.7531 12.7808 13.0598 13.0646 14.0015 14.0016 k = 0.1287 0.2228-0.0000 ( 2313 PWs) bands (ev): -30.8966 -30.8966 -30.8383 -30.8383 -12.2235 -12.0795 -11.9128 -11.8941 -11.0154 -10.7851 -10.6142 -10.5782 -10.5656 -10.5447 -10.3849 -10.3803 -2.4795 -2.4647 -1.9777 -1.8741 6.9958 6.9965 7.5130 7.5134 7.8003 7.8024 7.8638 7.8743 7.9742 8.0515 8.3872 8.3881 12.4246 12.4378 12.8005 12.8290 12.9691 12.9736 14.0043 14.0049 k = 0.1228 0.2127-0.0000 ( 2323 PWs) bands (ev): -30.8985 -30.8985 -30.8389 -30.8389 -12.2202 -12.0806 -11.9025 -11.8854 -11.0088 -10.7876 -10.6019 -10.5662 -10.5540 -10.5318 -10.3801 -10.3757 -2.5075 -2.4944 -1.9915 -1.8904 7.0065 7.0066 7.5137 7.5146 7.7969 7.7980 7.8545 7.8655 7.9443 8.0215 8.3498 8.3504 12.4737 12.4870 12.8507 12.8759 12.8776 12.8823 14.0075 14.0086 k = 0.1170 0.2026-0.0000 ( 2329 PWs) bands (ev): -30.9004 -30.9004 -30.8396 -30.8396 -12.2168 -12.0820 -11.8925 -11.8768 -11.0018 -10.7902 -10.5900 -10.5572 -10.5395 -10.5187 -10.3754 -10.3714 -2.5353 -2.5237 -2.0052 -1.9069 7.0191 7.0201 7.5130 7.5153 7.7941 7.7946 7.8449 7.8566 7.9155 7.9927 8.3130 8.3133 12.5256 12.5387 12.7810 12.7848 12.9032 12.9331 14.0115 14.0129 k = 0.1111 0.1925-0.0000 ( 2329 PWs) bands (ev): -30.9022 -30.9022 -30.8402 -30.8402 -12.2134 -12.0835 -11.8827 -11.8685 -10.9946 -10.7928 -10.5784 -10.5494 -10.5240 -10.5054 -10.3710 -10.3672 -2.5627 -2.5526 -2.0187 -1.9234 7.0342 7.0358 7.5113 7.5149 7.7901 7.7928 7.8346 7.8478 7.8889 7.9659 8.2769 8.2770 12.5792 12.5918 12.6858 12.6899 12.9575 12.9877 14.0166 14.0182 k = 0.1053 0.1823-0.0000 ( 2333 PWs) bands (ev): -30.9040 -30.9040 -30.8408 -30.8408 -12.2100 -12.0854 -11.8732 -11.8604 -10.9872 -10.7953 -10.5672 -10.5419 -10.5085 -10.4922 -10.3668 -10.3633 -2.5896 -2.5808 -2.0320 -1.9400 7.0515 7.0538 7.5087 7.5136 7.7851 7.7898 7.8238 7.8389 7.8663 7.9421 8.2415 8.2419 12.5839 12.5865 12.6418 12.6555 13.0130 13.0434 14.0233 14.0248 k = 0.0994 0.1722-0.0000 ( 2335 PWs) bands (ev): -30.9056 -30.9056 -30.8415 -30.8415 -12.2065 -12.0874 -11.8640 -11.8526 -10.9795 -10.7980 -10.5564 -10.5346 -10.4931 -10.4789 -10.3628 -10.3596 -2.6160 -2.6084 -2.0450 -1.9565 7.0708 7.0736 7.5054 7.5112 7.7779 7.7821 7.8139 7.8300 7.8500 7.9225 8.2072 8.2079 12.4902 12.4926 12.6986 12.7121 13.0689 13.0993 14.0318 14.0332 k = 0.0936 0.1621-0.0000 ( 2327 PWs) bands (ev): -30.9073 -30.9073 -30.8420 -30.8420 -12.2030 -12.0897 -11.8552 -11.8451 -10.9718 -10.8006 -10.5460 -10.5275 -10.4780 -10.4659 -10.3591 -10.3561 -2.6416 -2.6351 -2.0576 -1.9729 7.0919 7.0953 7.5013 7.5079 7.7672 7.7678 7.8067 7.8212 7.8407 7.9079 8.1743 8.1753 12.3952 12.3975 12.7596 12.7729 13.1246 13.1546 14.0429 14.0438 k = 0.0877 0.1519-0.0000 ( 2329 PWs) bands (ev): -30.9088 -30.9088 -30.8426 -30.8426 -12.1995 -12.0922 -11.8469 -11.8379 -10.9639 -10.8033 -10.5361 -10.5205 -10.4635 -10.4531 -10.3556 -10.3527 -2.6665 -2.6610 -2.0698 -1.9891 7.1145 7.1183 7.4965 7.5035 7.7480 7.7548 7.8003 7.8123 7.8376 7.8984 8.1429 8.1441 12.3016 12.3036 12.8225 12.8355 13.1791 13.2085 14.0568 14.0571 k = 0.0819 0.1418-0.0000 ( 2333 PWs) bands (ev): -30.9103 -30.9103 -30.8432 -30.8432 -12.1959 -12.0949 -11.8390 -11.8311 -10.9561 -10.8061 -10.5266 -10.5137 -10.4494 -10.4406 -10.3523 -10.3496 -2.6904 -2.6858 -2.0814 -2.0049 7.1384 7.1426 7.4909 7.4981 7.7280 7.7395 7.7930 7.8034 7.8389 7.8933 8.1130 8.1146 12.2101 12.2119 12.8867 12.8995 13.2317 13.2601 14.0735 14.0743 k = 0.0760 0.1317-0.0000 ( 2331 PWs) bands (ev): -30.9117 -30.9117 -30.8437 -30.8437 -12.1923 -12.0977 -11.8315 -11.8247 -10.9482 -10.8090 -10.5175 -10.5070 -10.4360 -10.4286 -10.3492 -10.3467 -2.7132 -2.7094 -2.0923 -2.0204 7.1633 7.1677 7.4846 7.4915 7.7091 7.7233 7.7851 7.7945 7.8426 7.8916 8.0849 8.0868 12.1213 12.1229 12.9518 12.9643 13.2813 13.3084 14.0937 14.0956 k = 0.0702 0.1215-0.0000 ( 2327 PWs) bands (ev): -30.9130 -30.9130 -30.8443 -30.8443 -12.1887 -12.1007 -11.8245 -11.8186 -10.9404 -10.8120 -10.5090 -10.5006 -10.4232 -10.4171 -10.3464 -10.3440 -2.7349 -2.7318 -2.1026 -2.0354 7.1888 7.1934 7.4776 7.4839 7.6921 7.7072 7.7769 7.7857 7.8477 7.8921 8.0587 8.0609 12.0360 12.0373 13.0173 13.0295 13.3273 13.3527 14.1177 14.1212 k = 0.0643 0.1114-0.0000 ( 2331 PWs) bands (ev): -30.9142 -30.9142 -30.8447 -30.8447 -12.1851 -12.1039 -11.8180 -11.8130 -10.9327 -10.8151 -10.5010 -10.4944 -10.4112 -10.4063 -10.3437 -10.3415 -2.7554 -2.7529 -2.1122 -2.0498 7.2145 7.2192 7.4699 7.4753 7.6773 7.6921 7.7686 7.7769 7.8535 7.8939 8.0345 8.0369 11.9545 11.9556 13.0826 13.0944 13.3689 13.3922 14.1458 14.1510 k = 0.0585 0.1013-0.0000 ( 2339 PWs) bands (ev): -30.9154 -30.9154 -30.8452 -30.8452 -12.1814 -12.1072 -11.8121 -11.8078 -10.9251 -10.8184 -10.4936 -10.4885 -10.4001 -10.3962 -10.3412 -10.3392 -2.7745 -2.7725 -2.1209 -2.0635 7.2401 7.2449 7.4616 7.4660 7.6648 7.6785 7.7605 7.7683 7.8596 7.8964 8.0123 8.0150 11.8776 11.8785 13.1471 13.1584 13.4057 13.4267 14.1777 14.1846 k = 0.0526 0.0912-0.0000 ( 2339 PWs) bands (ev): -30.9164 -30.9164 -30.8456 -30.8456 -12.1777 -12.1105 -11.8067 -11.8031 -10.9176 -10.8217 -10.4868 -10.4830 -10.3898 -10.3868 -10.3390 -10.3371 -2.7921 -2.7905 -2.1287 -2.0766 7.2652 7.2699 7.4530 7.4562 7.6545 7.6666 7.7526 7.7599 7.8657 7.8993 7.9923 7.9952 11.8059 11.8066 13.2100 13.2207 13.4375 13.4560 14.2129 14.2214 k = 0.0468 0.0810-0.0000 ( 2339 PWs) bands (ev): -30.9173 -30.9173 -30.8460 -30.8460 -12.1740 -12.1140 -11.8018 -11.7988 -10.9104 -10.8253 -10.4806 -10.4779 -10.3806 -10.3783 -10.3369 -10.3351 -2.8081 -2.8069 -2.1355 -2.0888 7.2893 7.2939 7.4441 7.4463 7.6462 7.6566 7.7450 7.7518 7.8718 7.9022 7.9745 7.9777 11.7398 11.7404 13.2706 13.2806 13.4644 13.4803 14.2504 14.2603 k = 0.0409 0.0709-0.0000 ( 2335 PWs) bands (ev): -30.9182 -30.9182 -30.8463 -30.8463 -12.1703 -12.1176 -11.7975 -11.7950 -10.9033 -10.8289 -10.4751 -10.4733 -10.3723 -10.3707 -10.3350 -10.3333 -2.8225 -2.8216 -2.1413 -2.1001 7.3122 7.3165 7.4354 7.4366 7.6397 7.6482 7.7379 7.7441 7.8775 7.9048 7.9589 7.9623 11.6800 11.6805 13.3279 13.3371 13.4866 13.5001 14.2890 14.2998 k = 0.0351 0.0608-0.0000 ( 2325 PWs) bands (ev): -30.9189 -30.9189 -30.8466 -30.8466 -12.1666 -12.1212 -11.7937 -11.7917 -10.8964 -10.8328 -10.4702 -10.4691 -10.3652 -10.3641 -10.3332 -10.3316 -2.8351 -2.8345 -2.1460 -2.1105 7.3332 7.3373 7.4271 7.4276 7.6347 7.6415 7.7314 7.7369 7.8828 7.9070 7.9456 7.9492 11.6270 11.6273 13.3808 13.3892 13.5048 13.5159 14.3272 14.3383 k = 0.0292 0.0506-0.0000 ( 2329 PWs) bands (ev): -30.9195 -30.9195 -30.8469 -30.8469 -12.1628 -12.1249 -11.7905 -11.7889 -10.8898 -10.8369 -10.4661 -10.4655 -10.3592 -10.3585 -10.3315 -10.3301 -2.8459 -2.8455 -2.1496 -2.1198 7.3520 7.3556 7.4195 7.4195 7.6308 7.6361 7.7256 7.7303 7.8875 7.9084 7.9347 7.9383 11.5811 11.5814 13.4284 13.4358 13.5192 13.5281 14.3634 14.3742 k = 0.0234 0.0405-0.0000 ( 2329 PWs) bands (ev): -30.9200 -30.9200 -30.8471 -30.8471 -12.1590 -12.1286 -11.7878 -11.7866 -10.8834 -10.8411 -10.4628 -10.4624 -10.3544 -10.3540 -10.3300 -10.3288 -2.8548 -2.8545 -2.1521 -2.1281 7.3682 7.3713 7.4126 7.4129 7.6280 7.6320 7.7206 7.7246 7.8914 7.9086 7.9265 7.9298 11.5430 11.5431 13.4695 13.4758 13.5305 13.5372 14.3960 14.4058 k = 0.0175 0.0304-0.0000 ( 2329 PWs) bands (ev): -30.9204 -30.9204 -30.8473 -30.8473 -12.1552 -12.1324 -11.7857 -11.7849 -10.8773 -10.8456 -10.4601 -10.4600 -10.3508 -10.3506 -10.3287 -10.3278 -2.8619 -2.8617 -2.1533 -2.1353 7.3814 7.3839 7.4071 7.4075 7.6261 7.6289 7.7167 7.7197 7.8944 7.9072 7.9214 7.9237 11.5129 11.5130 13.5029 13.5080 13.5390 13.5437 14.4236 14.4317 k = 0.0117 0.0203-0.0000 ( 2329 PWs) bands (ev): -30.9207 -30.9207 -30.8474 -30.8474 -12.1514 -12.1362 -11.7842 -11.7836 -10.8714 -10.8503 -10.4583 -10.4582 -10.3482 -10.3482 -10.3276 -10.3270 -2.8669 -2.8668 -2.1534 -2.1413 7.3911 7.3929 7.4032 7.4036 7.6248 7.6266 7.7139 7.7160 7.8966 7.9045 7.9190 7.9199 11.4912 11.4912 13.5277 13.5316 13.5453 13.5479 14.4448 14.4506 k = 0.0058 0.0101-0.0000 ( 2333 PWs) bands (ev): -30.9209 -30.9209 -30.8474 -30.8474 -12.1476 -12.1400 -11.7832 -11.7829 -10.8658 -10.8552 -10.4572 -10.4571 -10.3468 -10.3468 -10.3269 -10.3265 -2.8699 -2.8699 -2.1522 -2.1462 7.3969 7.3978 7.4013 7.4015 7.6243 7.6252 7.7124 7.7135 7.8981 7.9018 7.9179 7.9181 11.4780 11.4781 13.5426 13.5454 13.5499 13.5504 14.4586 14.4616 k = 0.0000 0.0000 0.0000 ( 2333 PWs) bands (ev): -30.9209 -30.9209 -30.8475 -30.8475 -12.1438 -12.1438 -11.7828 -11.7828 -10.8604 -10.8604 -10.4568 -10.4568 -10.3463 -10.3463 -10.3265 -10.3265 -2.8709 -2.8709 -2.1498 -2.1498 7.3984 7.3984 7.4014 7.4014 7.6244 7.6244 7.7122 7.7122 7.8997 7.8997 7.9176 7.9176 11.4736 11.4736 13.5478 13.5478 13.5523 13.5523 14.4643 14.4643 k = 0.0000 0.0000 0.0000 ( 2333 PWs) bands (ev): -30.9209 -30.9209 -30.8475 -30.8475 -12.1438 -12.1438 -11.7828 -11.7828 -10.8604 -10.8604 -10.4568 -10.4568 -10.3463 -10.3463 -10.3265 -10.3265 -2.8709 -2.8709 -2.1498 -2.1498 7.3984 7.3984 7.4014 7.4014 7.6244 7.6244 7.7122 7.7122 7.8997 7.8997 7.9176 7.9176 11.4736 11.4736 13.5478 13.5478 13.5523 13.5523 14.4643 14.4643 k = 0.0000 0.0000 0.0117 ( 2333 PWs) bands (ev): -30.9209 -30.9209 -30.8475 -30.8475 -12.1435 -12.1435 -11.7831 -11.7831 -10.8600 -10.8600 -10.4567 -10.4567 -10.3464 -10.3464 -10.3271 -10.3271 -2.8700 -2.8700 -2.1501 -2.1501 7.3987 7.3987 7.4017 7.4017 7.6225 7.6225 7.7096 7.7096 7.8991 7.8991 7.9170 7.9170 11.4781 11.4781 13.5499 13.5499 13.5544 13.5544 14.4646 14.4646 k = 0.0000 0.0000 0.0234 ( 2333 PWs) bands (ev): -30.9207 -30.9207 -30.8477 -30.8477 -12.1424 -12.1424 -11.7839 -11.7839 -10.8590 -10.8590 -10.4564 -10.4564 -10.3467 -10.3467 -10.3289 -10.3289 -2.8672 -2.8672 -2.1510 -2.1510 7.3995 7.3995 7.4026 7.4026 7.6168 7.6168 7.7019 7.7019 7.8972 7.8972 7.9152 7.9152 11.4915 11.4915 13.5561 13.5561 13.5607 13.5607 14.4651 14.4651 k = 0.0000 0.0000 0.0350 ( 2333 PWs) bands (ev): -30.9204 -30.9204 -30.8480 -30.8480 -12.1407 -12.1407 -11.7852 -11.7852 -10.8574 -10.8574 -10.4560 -10.4560 -10.3471 -10.3471 -10.3318 -10.3318 -2.8625 -2.8625 -2.1524 -2.1524 7.4008 7.4008 7.4040 7.4040 7.6075 7.6075 7.6891 7.6891 7.8940 7.8940 7.9121 7.9121 11.5135 11.5135 13.5665 13.5665 13.5711 13.5711 14.4656 14.4656 k = 0.0000 0.0000 0.0467 ( 2327 PWs) bands (ev): -30.9200 -30.9200 -30.8485 -30.8485 -12.1383 -12.1383 -11.7870 -11.7870 -10.8550 -10.8550 -10.4553 -10.4553 -10.3478 -10.3478 -10.3359 -10.3359 -2.8560 -2.8560 -2.1544 -2.1544 7.4028 7.4028 7.4060 7.4060 7.5946 7.5946 7.6717 7.6717 7.8897 7.8897 7.9079 7.9079 11.5439 11.5439 13.5810 13.5810 13.5858 13.5858 14.4657 14.4657 k = 0.0000 0.0000 0.0584 ( 2327 PWs) bands (ev): -30.9194 -30.9194 -30.8490 -30.8490 -12.1353 -12.1353 -11.7893 -11.7893 -10.8520 -10.8520 -10.4545 -10.4545 -10.3486 -10.3486 -10.3412 -10.3412 -2.8478 -2.8478 -2.1571 -2.1571 7.4052 7.4052 7.4086 7.4086 7.5784 7.5784 7.6500 7.6500 7.8842 7.8842 7.9025 7.9025 11.5823 11.5823 13.5996 13.5996 13.6045 13.6045 14.4645 14.4645 k = 0.0000 0.0000 0.0701 ( 2327 PWs) bands (ev): -30.9187 -30.9187 -30.8497 -30.8497 -12.1316 -12.1316 -11.7922 -11.7922 -10.8484 -10.8484 -10.4535 -10.4535 -10.3497 -10.3497 -10.3476 -10.3476 -2.8378 -2.8378 -2.1603 -2.1603 7.4082 7.4082 7.4118 7.4118 7.5591 7.5591 7.6246 7.6246 7.8775 7.8775 7.8960 7.8960 11.6281 11.6281 13.6222 13.6222 13.6273 13.6273 14.4614 14.4614 k = 0.0000 0.0000 0.0818 ( 2321 PWs) bands (ev): -30.9179 -30.9179 -30.8505 -30.8505 -12.1273 -12.1273 -11.7955 -11.7955 -10.8441 -10.8441 -10.4523 -10.4523 -10.3550 -10.3550 -10.3509 -10.3509 -2.8261 -2.8261 -2.1643 -2.1643 7.4117 7.4117 7.4155 7.4155 7.5371 7.5371 7.5960 7.5960 7.8699 7.8699 7.8884 7.8884 11.6807 11.6807 13.6488 13.6488 13.6541 13.6541 14.4555 14.4555 k = 0.0000 0.0000 0.0935 ( 2315 PWs) bands (ev): -30.9170 -30.9170 -30.8514 -30.8514 -12.1223 -12.1223 -11.7994 -11.7994 -10.8391 -10.8391 -10.4510 -10.4510 -10.3634 -10.3634 -10.3522 -10.3522 -2.8129 -2.8129 -2.1688 -2.1688 7.4158 7.4158 7.4198 7.4198 7.5126 7.5126 7.5647 7.5647 7.8612 7.8612 7.8798 7.8798 11.7396 11.7396 13.6794 13.6794 13.6849 13.6849 14.4460 14.4460 k = 0.0000 0.0000 0.1051 ( 2321 PWs) bands (ev): -30.9160 -30.9160 -30.8524 -30.8524 -12.1167 -12.1167 -11.8038 -11.8038 -10.8335 -10.8335 -10.4495 -10.4495 -10.3728 -10.3728 -10.3538 -10.3538 -2.7983 -2.7983 -2.1741 -2.1741 7.4204 7.4204 7.4247 7.4247 7.4860 7.4860 7.5312 7.5312 7.8516 7.8516 7.8702 7.8702 11.8042 11.8042 13.7138 13.7138 13.7195 13.7195 14.4320 14.4320 k = 0.0000 0.0000 0.1168 ( 2315 PWs) bands (ev): -30.9149 -30.9149 -30.8536 -30.8536 -12.1106 -12.1106 -11.8086 -11.8086 -10.8272 -10.8272 -10.4478 -10.4478 -10.3831 -10.3831 -10.3555 -10.3555 -2.7822 -2.7822 -2.1801 -2.1801 7.4255 7.4255 7.4303 7.4303 7.4578 7.4578 7.4964 7.4964 7.8412 7.8412 7.8597 7.8597 11.8738 11.8738 13.7520 13.7520 13.7580 13.7580 14.4129 14.4129 k = 0.0000 0.0000 0.1285 ( 2315 PWs) bands (ev): -30.9137 -30.9137 -30.8548 -30.8548 -12.1040 -12.1040 -11.8139 -11.8139 -10.8203 -10.8203 -10.4460 -10.4460 -10.3943 -10.3943 -10.3573 -10.3573 -2.7648 -2.7648 -2.1869 -2.1869 7.4283 7.4283 7.4306 7.4306 7.4364 7.4364 7.4612 7.4612 7.8299 7.8299 7.8484 7.8484 11.9478 11.9478 13.7939 13.7939 13.8002 13.8002 14.3883 14.3883 k = 0.0000 0.0000 0.1402 ( 2315 PWs) bands (ev): -30.9124 -30.9124 -30.8561 -30.8561 -12.0968 -12.0968 -11.8197 -11.8197 -10.8127 -10.8127 -10.4440 -10.4440 -10.4062 -10.4062 -10.3593 -10.3593 -2.7463 -2.7463 -2.1944 -2.1944 7.3980 7.3980 7.4216 7.4216 7.4402 7.4402 7.4431 7.4431 7.8180 7.8180 7.8363 7.8363 12.0256 12.0256 13.8393 13.8393 13.8461 13.8461 14.3579 14.3579 k = 0.0000 0.0000 0.1519 ( 2327 PWs) bands (ev): -30.9110 -30.9110 -30.8576 -30.8576 -12.0891 -12.0891 -11.8260 -11.8260 -10.8046 -10.8046 -10.4419 -10.4419 -10.4189 -10.4189 -10.3615 -10.3615 -2.7267 -2.7267 -2.2027 -2.2027 7.3673 7.3673 7.3868 7.3868 7.4457 7.4457 7.4504 7.4504 7.8053 7.8053 7.8234 7.8234 12.1067 12.1067 13.8883 13.8883 13.8954 13.8954 14.3217 14.3217 k = 0.0000 0.0000 0.1635 ( 2327 PWs) bands (ev): -30.9095 -30.9095 -30.8591 -30.8591 -12.0810 -12.0810 -11.8327 -11.8327 -10.7958 -10.7958 -10.4396 -10.4396 -10.4322 -10.4322 -10.3638 -10.3638 -2.7062 -2.7062 -2.2119 -2.2119 7.3366 7.3366 7.3514 7.3514 7.4530 7.4530 7.4583 7.4583 7.7921 7.7921 7.8099 7.8099 12.1906 12.1906 13.9405 13.9405 13.9481 13.9481 14.2796 14.2796 k = 0.0000 0.0000 0.1752 ( 2321 PWs) bands (ev): -30.9079 -30.9079 -30.8607 -30.8607 -12.0724 -12.0724 -11.8398 -11.8398 -10.7863 -10.7863 -10.4461 -10.4461 -10.4372 -10.4372 -10.3662 -10.3662 -2.6849 -2.6849 -2.2220 -2.2220 7.3064 7.3064 7.3169 7.3169 7.4611 7.4611 7.4669 7.4669 7.7784 7.7784 7.7959 7.7959 12.2767 12.2767 13.9961 13.9961 14.0041 14.0041 14.2321 14.2321 k = 0.0000 0.0000 0.1869 ( 2322 PWs) bands (ev): -30.9062 -30.9062 -30.8624 -30.8624 -12.0635 -12.0635 -11.8473 -11.8473 -10.7763 -10.7763 -10.4605 -10.4605 -10.4347 -10.4347 -10.3687 -10.3687 -2.6630 -2.6630 -2.2329 -2.2329 7.2769 7.2769 7.2838 7.2838 7.4697 7.4697 7.4760 7.4760 7.7643 7.7643 7.7815 7.7815 12.3647 12.3647 14.0546 14.0546 14.0632 14.0632 14.1793 14.1793 k = 0.0000 0.0000 0.1986 ( 2316 PWs) bands (ev): -30.9045 -30.9045 -30.8641 -30.8641 -12.0542 -12.0542 -11.8552 -11.8552 -10.7657 -10.7657 -10.4753 -10.4753 -10.4321 -10.4321 -10.3714 -10.3714 -2.6404 -2.6404 -2.2448 -2.2448 7.2485 7.2485 7.2525 7.2525 7.4790 7.4790 7.4857 7.4857 7.7498 7.7498 7.7666 7.7666 12.4541 12.4541 14.1162 14.1162 14.1215 14.1215 14.1252 14.1252 k = 0.0000 0.0000 0.2103 ( 2328 PWs) bands (ev): -30.9027 -30.9027 -30.8660 -30.8660 -12.0446 -12.0446 -11.8635 -11.8635 -10.7546 -10.7546 -10.4905 -10.4905 -10.4294 -10.4294 -10.3741 -10.3741 -2.6175 -2.6175 -2.2575 -2.2575 7.2216 7.2216 7.2233 7.2233 7.4888 7.4888 7.4960 7.4960 7.7350 7.7350 7.7514 7.7514 12.5445 12.5445 14.0592 14.0592 14.1804 14.1804 14.1901 14.1901 k = 0.0000 0.0000 0.2220 ( 2334 PWs) bands (ev): -30.9008 -30.9008 -30.8679 -30.8679 -12.0348 -12.0348 -11.8722 -11.8722 -10.7428 -10.7428 -10.5060 -10.5060 -10.4266 -10.4266 -10.3770 -10.3770 -2.5943 -2.5943 -2.2712 -2.2712 7.1963 7.1963 7.1966 7.1966 7.4992 7.4992 7.5069 7.5069 7.7200 7.7200 7.7360 7.7360 12.6356 12.6356 13.9929 13.9929 14.2472 14.2472 14.2575 14.2575 k = 0.0000 0.0000 0.2336 ( 2334 PWs) bands (ev): -30.8989 -30.8989 -30.8698 -30.8698 -12.0247 -12.0247 -11.8812 -11.8812 -10.7306 -10.7306 -10.5217 -10.5217 -10.4237 -10.4237 -10.3799 -10.3799 -2.5710 -2.5710 -2.2859 -2.2859 7.1722 7.1722 7.1737 7.1737 7.5101 7.5101 7.5183 7.5183 7.7048 7.7048 7.7204 7.7204 12.7272 12.7272 13.9230 13.9230 14.3164 14.3164 14.3274 14.3274 k = 0.0000 0.0000 0.2453 ( 2346 PWs) bands (ev): -30.8969 -30.8969 -30.8718 -30.8718 -12.0144 -12.0144 -11.8905 -11.8905 -10.7178 -10.7178 -10.5375 -10.5375 -10.4207 -10.4207 -10.3829 -10.3829 -2.5476 -2.5476 -2.3014 -2.3014 7.1510 7.1510 7.1532 7.1532 7.5216 7.5216 7.5302 7.5302 7.6896 7.6896 7.7046 7.7046 12.8189 12.8189 13.8497 13.8497 14.3876 14.3876 14.3994 14.3994 k = 0.0000 0.0000 0.2570 ( 2346 PWs) bands (ev): -30.8949 -30.8949 -30.8738 -30.8738 -12.0040 -12.0040 -11.9000 -11.9000 -10.7046 -10.7046 -10.5535 -10.5535 -10.4177 -10.4177 -10.3860 -10.3860 -2.5243 -2.5243 -2.3179 -2.3179 7.1329 7.1329 7.1354 7.1354 7.5335 7.5335 7.5427 7.5427 7.6743 7.6743 7.6889 7.6889 12.9105 12.9105 13.7736 13.7736 14.4608 14.4608 14.4734 14.4734 k = 0.0000 0.0000 0.2687 ( 2358 PWs) bands (ev): -30.8929 -30.8929 -30.8759 -30.8759 -11.9934 -11.9934 -11.9098 -11.9098 -10.6909 -10.6909 -10.5694 -10.5694 -10.4146 -10.4146 -10.3891 -10.3891 -2.5013 -2.5013 -2.3353 -2.3353 7.1179 7.1179 7.1204 7.1204 7.5459 7.5459 7.5556 7.5556 7.6591 7.6591 7.6732 7.6732 13.0018 13.0018 13.6948 13.6948 14.5356 14.5356 14.5490 14.5490 k = 0.0000 0.0000 0.2804 ( 2376 PWs) bands (ev): -30.8908 -30.8908 -30.8780 -30.8780 -11.9828 -11.9828 -11.9199 -11.9199 -10.6767 -10.6767 -10.5853 -10.5853 -10.4114 -10.4114 -10.3923 -10.3923 -2.4785 -2.4785 -2.3535 -2.3535 7.1062 7.1062 7.1083 7.1083 7.5588 7.5588 7.5691 7.5691 7.6441 7.6441 7.6576 7.6576 13.0924 13.0924 13.6137 13.6137 14.6117 14.6117 14.6261 14.6261 k = 0.0000 0.0000 0.2921 ( 2388 PWs) bands (ev): -30.8887 -30.8887 -30.8802 -30.8802 -11.9722 -11.9722 -11.9301 -11.9301 -10.6622 -10.6622 -10.6011 -10.6011 -10.4083 -10.4083 -10.3954 -10.3954 -2.4562 -2.4562 -2.3726 -2.3726 7.0980 7.0980 7.0995 7.0995 7.5722 7.5722 7.5829 7.5829 7.6291 7.6291 7.6420 7.6420 13.1824 13.1824 13.5306 13.5306 14.6889 14.6889 14.7043 14.7043 k = 0.0000 0.0000 0.3037 ( 2388 PWs) bands (ev): -30.8866 -30.8866 -30.8823 -30.8823 -11.9616 -11.9616 -11.9405 -11.9405 -10.6474 -10.6474 -10.6168 -10.6168 -10.4051 -10.4051 -10.3987 -10.3987 -2.4343 -2.4343 -2.3925 -2.3925 7.0932 7.0932 7.0940 7.0940 7.5859 7.5859 7.5972 7.5972 7.6144 7.6144 7.6268 7.6268 13.2714 13.2714 13.4457 13.4457 14.7668 14.7668 14.7833 14.7833 k = 0.0000 0.0000 0.3154 ( 2388 PWs) bands (ev): -30.8844 -30.8844 -30.8844 -30.8844 -11.9510 -11.9510 -11.9510 -11.9510 -10.6322 -10.6322 -10.6322 -10.6322 -10.4019 -10.4019 -10.4019 -10.4019 -2.4131 -2.4131 -2.4131 -2.4131 7.0919 7.0919 7.0919 7.0919 7.6000 7.6000 7.6000 7.6000 7.6119 7.6119 7.6119 7.6119 13.3592 13.3592 13.3592 13.3592 14.8450 14.8450 14.8450 14.8450 k = 0.0000 0.0000 0.3154 ( 2388 PWs) bands (ev): -30.8844 -30.8844 -30.8844 -30.8844 -11.9510 -11.9510 -11.9510 -11.9510 -10.6322 -10.6322 -10.6322 -10.6322 -10.4019 -10.4019 -10.4019 -10.4019 -2.4131 -2.4131 -2.4131 -2.4131 7.0919 7.0919 7.0919 7.0919 7.6000 7.6000 7.6000 7.6000 7.6119 7.6119 7.6119 7.6119 13.3592 13.3592 13.3592 13.3592 14.8450 14.8450 14.8450 14.8450 k = 0.0102 0.0059 0.3154 ( 2380 PWs) bands (ev): -30.8844 -30.8844 -30.8844 -30.8844 -11.9531 -11.9531 -11.9492 -11.9492 -10.6352 -10.6352 -10.6297 -10.6297 -10.4021 -10.4021 -10.4021 -10.4021 -2.4139 -2.4139 -2.4106 -2.4106 7.0903 7.0903 7.0908 7.0908 7.5994 7.5994 7.6024 7.6024 7.6130 7.6130 7.6130 7.6130 13.3610 13.3610 13.3617 13.3617 14.8424 14.8424 14.8446 14.8446 k = 0.0204 0.0118 0.3154 ( 2380 PWs) bands (ev): -30.8843 -30.8843 -30.8843 -30.8843 -11.9557 -11.9557 -11.9478 -11.9478 -10.6387 -10.6387 -10.6276 -10.6276 -10.4030 -10.4030 -10.4029 -10.4029 -2.4133 -2.4133 -2.4067 -2.4067 7.0861 7.0861 7.0871 7.0871 7.6008 7.6008 7.6064 7.6064 7.6161 7.6161 7.6163 7.6163 13.3670 13.3670 13.3685 13.3685 14.8368 14.8368 14.8407 14.8407 k = 0.0306 0.0177 0.3154 ( 2368 PWs) bands (ev): -30.8840 -30.8840 -30.8840 -30.8840 -11.9585 -11.9585 -11.9467 -11.9467 -10.6427 -10.6427 -10.6260 -10.6260 -10.4043 -10.4043 -10.4042 -10.4042 -2.4112 -2.4111 -2.4013 -2.4013 7.0795 7.0795 7.0809 7.0809 7.6040 7.6040 7.6120 7.6120 7.6213 7.6213 7.6219 7.6219 13.3771 13.3771 13.3793 13.3793 14.8276 14.8276 14.8325 14.8325 k = 0.0408 0.0236 0.3154 ( 2360 PWs) bands (ev): -30.8837 -30.8837 -30.8837 -30.8837 -11.9617 -11.9617 -11.9461 -11.9461 -10.6472 -10.6472 -10.6249 -10.6249 -10.4062 -10.4062 -10.4060 -10.4060 -2.4075 -2.4075 -2.3944 -2.3944 7.0707 7.0707 7.0723 7.0723 7.6091 7.6091 7.6192 7.6192 7.6284 7.6284 7.6295 7.6295 13.3911 13.3911 13.3940 13.3940 14.8145 14.8145 14.8199 14.8199 k = 0.0510 0.0295 0.3154 ( 2356 PWs) bands (ev): -30.8834 -30.8834 -30.8834 -30.8834 -11.9653 -11.9653 -11.9458 -11.9458 -10.6521 -10.6521 -10.6243 -10.6243 -10.4086 -10.4086 -10.4083 -10.4083 -2.4024 -2.4024 -2.3862 -2.3862 7.0598 7.0598 7.0615 7.0615 7.6159 7.6159 7.6278 7.6278 7.6374 7.6374 7.6389 7.6389 13.4088 13.4088 13.4121 13.4121 14.7978 14.7978 14.8032 14.8032 k = 0.0612 0.0353 0.3154 ( 2352 PWs) bands (ev): -30.8829 -30.8829 -30.8829 -30.8829 -11.9691 -11.9691 -11.9460 -11.9460 -10.6574 -10.6574 -10.6242 -10.6242 -10.4115 -10.4115 -10.4109 -10.4109 -2.3958 -2.3958 -2.3765 -2.3765 7.0473 7.0473 7.0488 7.0488 7.6244 7.6244 7.6381 7.6381 7.6480 7.6480 7.6498 7.6498 13.4296 13.4296 13.4333 13.4333 14.7779 14.7779 14.7833 14.7833 k = 0.0714 0.0412 0.3154 ( 2352 PWs) bands (ev): -30.8824 -30.8824 -30.8824 -30.8824 -11.9733 -11.9733 -11.9466 -11.9466 -10.6633 -10.6633 -10.6246 -10.6246 -10.4149 -10.4149 -10.4139 -10.4139 -2.3878 -2.3878 -2.3656 -2.3656 7.0333 7.0333 7.0345 7.0345 7.6344 7.6344 7.6500 7.6500 7.6604 7.6604 7.6620 7.6620 13.4532 13.4532 13.4571 13.4571 14.7556 14.7556 14.7609 14.7609 k = 0.0816 0.0471 0.3154 ( 2348 PWs) bands (ev): -30.8818 -30.8818 -30.8818 -30.8818 -11.9778 -11.9778 -11.9475 -11.9475 -10.6695 -10.6695 -10.6255 -10.6255 -10.4186 -10.4186 -10.4173 -10.4173 -2.3786 -2.3786 -2.3534 -2.3534 7.0182 7.0182 7.0190 7.0190 7.6458 7.6458 7.6635 7.6635 7.6744 7.6744 7.6754 7.6754 13.4787 13.4787 13.4826 13.4826 14.7317 14.7317 14.7368 14.7368 k = 0.0918 0.0530 0.3154 ( 2350 PWs) bands (ev): -30.8811 -30.8811 -30.8811 -30.8811 -11.9826 -11.9826 -11.9489 -11.9489 -10.6763 -10.6763 -10.6271 -10.6271 -10.4227 -10.4227 -10.4209 -10.4209 -2.3680 -2.3680 -2.3401 -2.3401 7.0021 7.0021 7.0023 7.0023 7.6584 7.6584 7.6782 7.6782 7.6899 7.6899 7.6900 7.6900 13.5055 13.5055 13.5092 13.5092 14.7069 14.7069 14.7119 14.7119 k = 0.1020 0.0589 0.3154 ( 2352 PWs) bands (ev): -30.8804 -30.8804 -30.8804 -30.8804 -11.9876 -11.9876 -11.9507 -11.9507 -10.6834 -10.6834 -10.6292 -10.6292 -10.4271 -10.4271 -10.4247 -10.4247 -2.3562 -2.3562 -2.3257 -2.3257 6.9850 6.9850 6.9854 6.9854 7.6720 7.6720 7.6942 7.6942 7.7058 7.7058 7.7069 7.7069 13.5327 13.5327 13.5359 13.5359 14.6825 14.6825 14.6871 14.6871 k = 0.1122 0.0648 0.3154 ( 2346 PWs) bands (ev): -30.8796 -30.8796 -30.8796 -30.8796 -11.9929 -11.9929 -11.9530 -11.9530 -10.6909 -10.6909 -10.6319 -10.6319 -10.4317 -10.4317 -10.4287 -10.4287 -2.3433 -2.3433 -2.3103 -2.3103 6.9671 6.9671 6.9682 6.9682 7.6866 7.6866 7.7109 7.7109 7.7231 7.7231 7.7255 7.7255 13.5590 13.5590 13.5615 13.5615 14.6595 14.6595 14.6636 14.6636 k = 0.1224 0.0707 0.3154 ( 2346 PWs) bands (ev): -30.8787 -30.8787 -30.8787 -30.8787 -11.9985 -11.9985 -11.9557 -11.9557 -10.6989 -10.6989 -10.6352 -10.6352 -10.4364 -10.4364 -10.4328 -10.4328 -2.3293 -2.3293 -2.2939 -2.2939 6.9490 6.9490 6.9508 6.9508 7.7019 7.7019 7.7280 7.7280 7.7420 7.7420 7.7455 7.7455 13.5834 13.5834 13.5849 13.5849 14.6391 14.6391 14.6426 14.6426 k = 0.1327 0.0766 0.3154 ( 2342 PWs) bands (ev): -30.8778 -30.8778 -30.8778 -30.8778 -12.0043 -12.0043 -11.9587 -11.9587 -10.7071 -10.7071 -10.6391 -10.6391 -10.4412 -10.4412 -10.4371 -10.4371 -2.3144 -2.3144 -2.2768 -2.2768 6.9307 6.9307 6.9333 6.9333 7.7180 7.7180 7.7453 7.7453 7.7628 7.7628 7.7670 7.7670 13.6044 13.6044 13.6046 13.6046 14.6227 14.6227 14.6254 14.6254 k = 0.1429 0.0825 0.3154 ( 2334 PWs) bands (ev): -30.8768 -30.8768 -30.8768 -30.8768 -12.0104 -12.0104 -11.9622 -11.9622 -10.7157 -10.7157 -10.6436 -10.6436 -10.4461 -10.4461 -10.4413 -10.4413 -2.2986 -2.2986 -2.2590 -2.2590 6.9127 6.9127 6.9159 6.9159 7.7348 7.7348 7.7629 7.7629 7.7851 7.7851 7.7897 7.7897 13.6195 13.6195 13.6208 13.6208 14.6113 14.6113 14.6131 14.6131 k = 0.1531 0.0884 0.3154 ( 2326 PWs) bands (ev): -30.8757 -30.8757 -30.8757 -30.8757 -12.0166 -12.0166 -11.9662 -11.9662 -10.7246 -10.7246 -10.6488 -10.6488 -10.4509 -10.4509 -10.4456 -10.4456 -2.2820 -2.2820 -2.2405 -2.2405 6.8948 6.8948 6.8988 6.8988 7.7522 7.7522 7.7807 7.7807 7.8089 7.8089 7.8138 7.8138 13.6283 13.6283 13.6314 13.6314 14.6060 14.6060 14.6069 14.6069 k = 0.1633 0.0943 0.3154 ( 2326 PWs) bands (ev): -30.8747 -30.8747 -30.8747 -30.8747 -12.0231 -12.0231 -11.9705 -11.9705 -10.7337 -10.7337 -10.6546 -10.6546 -10.4556 -10.4556 -10.4499 -10.4499 -2.2647 -2.2647 -2.2216 -2.2216 6.8774 6.8774 6.8821 6.8821 7.7702 7.7702 7.7989 7.7989 7.8339 7.8339 7.8389 7.8389 13.6302 13.6302 13.6351 13.6351 14.6074 14.6074 14.6074 14.6074 k = 0.1735 0.1002 0.3154 ( 2332 PWs) bands (ev): -30.8735 -30.8735 -30.8735 -30.8735 -12.0297 -12.0297 -11.9753 -11.9753 -10.7431 -10.7431 -10.6611 -10.6611 -10.4601 -10.4601 -10.4541 -10.4541 -2.2468 -2.2468 -2.2023 -2.2023 6.8606 6.8606 6.8659 6.8659 7.7888 7.7888 7.8175 7.8175 7.8601 7.8601 7.8651 7.8651 13.6248 13.6248 13.6317 13.6317 14.6149 14.6149 14.6157 14.6157 k = 0.1837 0.1060 0.3154 ( 2336 PWs) bands (ev): -30.8724 -30.8724 -30.8724 -30.8724 -12.0365 -12.0365 -11.9804 -11.9804 -10.7526 -10.7526 -10.6681 -10.6681 -10.4645 -10.4645 -10.4582 -10.4582 -2.2285 -2.2285 -2.1826 -2.1826 6.8444 6.8444 6.8502 6.8502 7.8079 7.8079 7.8366 7.8366 7.8872 7.8872 7.8922 7.8922 13.6124 13.6124 13.6210 13.6210 14.6292 14.6292 14.6305 14.6305 k = 0.1939 0.1119 0.3154 ( 2336 PWs) bands (ev): -30.8712 -30.8712 -30.8712 -30.8712 -12.0434 -12.0434 -11.9859 -11.9859 -10.7621 -10.7621 -10.6757 -10.6757 -10.4687 -10.4687 -10.4622 -10.4622 -2.2097 -2.2097 -2.1628 -2.1628 6.8289 6.8289 6.8353 6.8353 7.8276 7.8276 7.8561 7.8561 7.9152 7.9152 7.9202 7.9202 13.5935 13.5935 13.6038 13.6038 14.6493 14.6493 14.6509 14.6509 k = 0.2041 0.1178 0.3154 ( 2332 PWs) bands (ev): -30.8699 -30.8699 -30.8699 -30.8699 -12.0504 -12.0504 -11.9918 -11.9918 -10.7718 -10.7718 -10.6838 -10.6838 -10.4726 -10.4726 -10.4661 -10.4661 -2.1906 -2.1906 -2.1429 -2.1429 6.8143 6.8143 6.8211 6.8211 7.8479 7.8479 7.8761 7.8761 7.9439 7.9439 7.9489 7.9489 13.5690 13.5690 13.5807 13.5807 14.6738 14.6738 14.6748 14.6748 k = 0.2143 0.1237 0.3154 ( 2326 PWs) bands (ev): -30.8687 -30.8687 -30.8687 -30.8687 -12.0575 -12.0575 -11.9980 -11.9980 -10.7814 -10.7814 -10.6924 -10.6924 -10.4763 -10.4763 -10.4699 -10.4699 -2.1714 -2.1714 -2.1229 -2.1229 6.8006 6.8006 6.8078 6.8078 7.8688 7.8688 7.8966 7.8966 7.9732 7.9732 7.9782 7.9782 13.5399 13.5399 13.5528 13.5528 14.6951 14.6951 14.7001 14.7001 k = 0.2245 0.1296 0.3154 ( 2330 PWs) bands (ev): -30.8674 -30.8674 -30.8674 -30.8674 -12.0647 -12.0647 -12.0046 -12.0046 -10.7910 -10.7910 -10.7014 -10.7014 -10.4797 -10.4797 -10.4735 -10.4735 -2.1520 -2.1520 -2.1031 -2.1031 6.7878 6.7878 6.7952 6.7952 7.8902 7.8902 7.9176 7.9176 8.0030 8.0030 8.0079 8.0079 13.5072 13.5072 13.5213 13.5213 14.7019 14.7019 14.7193 14.7193 k = 0.2347 0.1355 0.3154 ( 2326 PWs) bands (ev): -30.8661 -30.8661 -30.8661 -30.8661 -12.0719 -12.0719 -12.0114 -12.0114 -10.8005 -10.8005 -10.7108 -10.7108 -10.4829 -10.4829 -10.4770 -10.4770 -2.1326 -2.1326 -2.0835 -2.0835 6.7759 6.7759 6.7836 6.7836 7.9121 7.9121 7.9390 7.9390 8.0331 8.0331 8.0380 8.0380 13.4720 13.4720 13.4870 13.4870 14.7064 14.7064 14.7279 14.7279 k = 0.2449 0.1414 0.3154 ( 2322 PWs) bands (ev): -30.8648 -30.8648 -30.8648 -30.8648 -12.0791 -12.0791 -12.0185 -12.0185 -10.8098 -10.8098 -10.7204 -10.7204 -10.4859 -10.4859 -10.4803 -10.4803 -2.1133 -2.1133 -2.0641 -2.0641 6.7651 6.7651 6.7728 6.7728 7.9346 7.9346 7.9609 7.9609 8.0634 8.0634 8.0683 8.0683 13.4351 13.4351 13.4510 13.4510 14.7124 14.7124 14.7352 14.7352 k = 0.2551 0.1473 0.3154 ( 2324 PWs) bands (ev): -30.8635 -30.8635 -30.8635 -30.8635 -12.0863 -12.0863 -12.0259 -12.0259 -10.8190 -10.8190 -10.7302 -10.7302 -10.4886 -10.4886 -10.4834 -10.4834 -2.0942 -2.0942 -2.0451 -2.0451 6.7552 6.7552 6.7630 6.7630 7.9575 7.9575 7.9832 7.9832 8.0938 8.0938 8.0986 8.0986 13.3974 13.3974 13.4140 13.4140 14.7205 14.7205 14.7440 14.7440 k = 0.2653 0.1532 0.3154 ( 2326 PWs) bands (ev): -30.8622 -30.8622 -30.8622 -30.8622 -12.0935 -12.0935 -12.0335 -12.0335 -10.8279 -10.8279 -10.7403 -10.7403 -10.4912 -10.4912 -10.4864 -10.4864 -2.0753 -2.0753 -2.0266 -2.0266 6.7462 6.7462 6.7540 6.7540 7.9809 7.9809 8.0059 8.0059 8.1242 8.1242 8.1289 8.1289 13.3595 13.3595 13.3767 13.3767 14.7309 14.7309 14.7550 14.7550 k = 0.2755 0.1591 0.3154 ( 2326 PWs) bands (ev): -30.8609 -30.8609 -30.8609 -30.8609 -12.1006 -12.1006 -12.0413 -12.0413 -10.8365 -10.8365 -10.7504 -10.7504 -10.4935 -10.4935 -10.4892 -10.4892 -2.0567 -2.0567 -2.0085 -2.0085 6.7382 6.7382 6.7460 6.7460 8.0047 8.0047 8.0290 8.0290 8.1543 8.1543 8.1590 8.1590 13.3219 13.3219 13.3397 13.3397 14.7438 14.7438 14.7682 14.7682 k = 0.2857 0.1650 0.3154 ( 2334 PWs) bands (ev): -30.8597 -30.8597 -30.8597 -30.8597 -12.1075 -12.1075 -12.0492 -12.0492 -10.8449 -10.8449 -10.7605 -10.7605 -10.4956 -10.4956 -10.4918 -10.4918 -2.0384 -2.0384 -1.9910 -1.9910 6.7312 6.7312 6.7388 6.7388 8.0287 8.0287 8.0522 8.0523 8.1841 8.1841 8.1887 8.1887 13.2853 13.2853 13.3035 13.3035 14.7591 14.7591 14.7837 14.7837 k = 0.2959 0.1708 0.3154 ( 2326 PWs) bands (ev): -30.8584 -30.8584 -30.8584 -30.8584 -12.1143 -12.1143 -12.0571 -12.0571 -10.8528 -10.8528 -10.7706 -10.7706 -10.4976 -10.4976 -10.4943 -10.4943 -2.0206 -2.0206 -1.9742 -1.9742 6.7250 6.7250 6.7324 6.7324 8.0531 8.0531 8.0758 8.0758 8.2135 8.2135 8.2180 8.2180 13.2500 13.2500 13.2686 13.2686 14.7769 14.7769 14.8017 14.8017 k = 0.3061 0.1767 0.3154 ( 2326 PWs) bands (ev): -30.8572 -30.8572 -30.8572 -30.8572 -12.1210 -12.1210 -12.0652 -12.0652 -10.8604 -10.8604 -10.7807 -10.7807 -10.4994 -10.4994 -10.4966 -10.4966 -2.0034 -2.0034 -1.9580 -1.9580 6.7196 6.7196 6.7268 6.7268 8.0776 8.0776 8.0994 8.0994 8.2423 8.2423 8.2467 8.2467 13.2163 13.2163 13.2352 13.2352 14.7971 14.7971 14.8220 14.8220 k = 0.3163 0.1826 0.3154 ( 2322 PWs) bands (ev): -30.8560 -30.8560 -30.8560 -30.8560 -12.1275 -12.1275 -12.0733 -12.0733 -10.8676 -10.8676 -10.7906 -10.7906 -10.5011 -10.5011 -10.4988 -10.4988 -1.9866 -1.9866 -1.9426 -1.9426 6.7150 6.7150 6.7219 6.7219 8.1021 8.1021 8.1230 8.1230 8.2705 8.2705 8.2747 8.2747 13.1845 13.1845 13.2037 13.2037 14.8198 14.8198 14.8446 14.8446 k = 0.3265 0.1885 0.3154 ( 2320 PWs) bands (ev): -30.8548 -30.8548 -30.8548 -30.8548 -12.1337 -12.1337 -12.0813 -12.0813 -10.8743 -10.8743 -10.8004 -10.8004 -10.5026 -10.5026 -10.5007 -10.5007 -1.9705 -1.9705 -1.9279 -1.9279 6.7111 6.7111 6.7177 6.7177 8.1266 8.1266 8.1465 8.1465 8.2978 8.2978 8.3020 8.3020 13.1550 13.1550 13.1743 13.1743 14.8449 14.8449 14.8695 14.8695 k = 0.3367 0.1944 0.3154 ( 2320 PWs) bands (ev): -30.8537 -30.8537 -30.8537 -30.8537 -12.1396 -12.1396 -12.0893 -12.0893 -10.8806 -10.8806 -10.8099 -10.8099 -10.5040 -10.5040 -10.5026 -10.5026 -1.9550 -1.9550 -1.9141 -1.9141 6.7079 6.7079 6.7142 6.7142 8.1509 8.1509 8.1698 8.1698 8.3242 8.3242 8.3282 8.3282 13.1279 13.1279 13.1472 13.1472 14.8721 14.8721 14.8963 14.8963 k = 0.3469 0.2003 0.3154 ( 2306 PWs) bands (ev): -30.8525 -30.8525 -30.8525 -30.8525 -12.1453 -12.1453 -12.0972 -12.0972 -10.8864 -10.8864 -10.8192 -10.8192 -10.5053 -10.5053 -10.5042 -10.5042 -1.9403 -1.9403 -1.9011 -1.9011 6.7053 6.7053 6.7112 6.7112 8.1749 8.1749 8.1927 8.1927 8.3497 8.3497 8.3535 8.3535 13.1033 13.1033 13.1225 13.1225 14.9014 14.9014 14.9246 14.9246 k = 0.3571 0.2062 0.3154 ( 2312 PWs) bands (ev): -30.8515 -30.8515 -30.8515 -30.8515 -12.1506 -12.1506 -12.1050 -12.1050 -10.8917 -10.8917 -10.8282 -10.8282 -10.5065 -10.5065 -10.5058 -10.5058 -1.9262 -1.9262 -1.8889 -1.8889 6.7032 6.7032 6.7088 6.7088 8.1983 8.1983 8.2150 8.2150 8.3739 8.3739 8.3776 8.3776 13.0813 13.0813 13.1002 13.1002 14.9322 14.9322 14.9522 14.9522 k = 0.3673 0.2121 0.3154 ( 2316 PWs) bands (ev): -30.8505 -30.8505 -30.8505 -30.8505 -12.1556 -12.1556 -12.1125 -12.1125 -10.8966 -10.8966 -10.8369 -10.8369 -10.5076 -10.5076 -10.5072 -10.5072 -1.9129 -1.9129 -1.8777 -1.8777 6.7016 6.7016 6.7068 6.7068 8.2211 8.2211 8.2367 8.2367 8.3969 8.3969 8.4004 8.4004 13.0620 13.0620 13.0806 13.0806 14.9590 14.9590 14.9634 14.9634 k = 0.3776 0.2180 0.3154 ( 2308 PWs) bands (ev): -30.8496 -30.8496 -30.8496 -30.8496 -12.1601 -12.1601 -12.1198 -12.1198 -10.9009 -10.9009 -10.8452 -10.8452 -10.5086 -10.5086 -10.5084 -10.5084 -1.9004 -1.9004 -1.8674 -1.8674 6.7005 6.7005 6.7052 6.7052 8.2431 8.2431 8.2576 8.2576 8.4187 8.4187 8.4220 8.4220 13.0454 13.0454 13.0635 13.0635 14.9521 14.9521 14.9550 14.9550 k = 0.3878 0.2239 0.3154 ( 2308 PWs) bands (ev): -30.8487 -30.8487 -30.8487 -30.8487 -12.1643 -12.1643 -12.1269 -12.1269 -10.9047 -10.9047 -10.8531 -10.8531 -10.5095 -10.5095 -10.5095 -10.5095 -1.8887 -1.8887 -1.8580 -1.8580 6.6996 6.6996 6.7040 6.7040 8.2641 8.2641 8.2775 8.2775 8.4390 8.4390 8.4421 8.4421 13.0313 13.0313 13.0488 13.0488 14.9381 14.9381 14.9410 14.9410 k = 0.3980 0.2298 0.3154 ( 2306 PWs) bands (ev): -30.8479 -30.8479 -30.8479 -30.8479 -12.1680 -12.1680 -12.1336 -12.1336 -10.9079 -10.9079 -10.8607 -10.8607 -10.5105 -10.5105 -10.5104 -10.5104 -1.8778 -1.8778 -1.8496 -1.8496 6.6991 6.6991 6.7030 6.7030 8.2841 8.2841 8.2962 8.2962 8.4579 8.4579 8.4607 8.4607 13.0198 13.0198 13.0365 13.0365 14.9212 14.9212 14.9240 14.9240 k = 0.4082 0.2357 0.3154 ( 2312 PWs) bands (ev): -30.8471 -30.8471 -30.8471 -30.8471 -12.1713 -12.1713 -12.1400 -12.1400 -10.9106 -10.9106 -10.8678 -10.8678 -10.5114 -10.5114 -10.5111 -10.5111 -1.8678 -1.8678 -1.8421 -1.8421 6.6988 6.6988 6.7023 6.7023 8.3027 8.3027 8.3137 8.3137 8.4752 8.4752 8.4777 8.4777 13.0107 13.0107 13.0264 13.0264 14.9025 14.9025 14.9049 14.9049 k = 0.4184 0.2415 0.3154 ( 2308 PWs) bands (ev): -30.8465 -30.8465 -30.8465 -30.8465 -12.1741 -12.1741 -12.1460 -12.1460 -10.9128 -10.9128 -10.8745 -10.8745 -10.5122 -10.5122 -10.5118 -10.5118 -1.8586 -1.8586 -1.8355 -1.8355 6.6987 6.6987 6.7018 6.7018 8.3199 8.3199 8.3297 8.3297 8.4909 8.4909 8.4932 8.4932 13.0037 13.0037 13.0183 13.0183 14.8826 14.8826 14.8846 14.8846 k = 0.4286 0.2474 0.3154 ( 2308 PWs) bands (ev): -30.8459 -30.8459 -30.8459 -30.8459 -12.1764 -12.1764 -12.1516 -12.1516 -10.9144 -10.9144 -10.8807 -10.8807 -10.5128 -10.5128 -10.5124 -10.5124 -1.8503 -1.8503 -1.8299 -1.8299 6.6988 6.6988 6.7015 6.7015 8.3355 8.3355 8.3441 8.3441 8.5049 8.5049 8.5069 8.5069 12.9987 12.9987 13.0120 13.0120 14.8623 14.8623 14.8639 14.8639 k = 0.4388 0.2533 0.3154 ( 2308 PWs) bands (ev): -30.8453 -30.8453 -30.8453 -30.8453 -12.1782 -12.1782 -12.1568 -12.1568 -10.9155 -10.9155 -10.8865 -10.8865 -10.5133 -10.5133 -10.5129 -10.5129 -1.8429 -1.8429 -1.8253 -1.8253 6.6989 6.6989 6.7012 6.7012 8.3495 8.3495 8.3568 8.3568 8.5171 8.5171 8.5189 8.5189 12.9953 12.9953 13.0071 13.0071 14.8426 14.8426 14.8438 14.8438 k = 0.4490 0.2592 0.3154 ( 2308 PWs) bands (ev): -30.8449 -30.8449 -30.8449 -30.8449 -12.1794 -12.1794 -12.1615 -12.1615 -10.9160 -10.9160 -10.8918 -10.8918 -10.5138 -10.5138 -10.5134 -10.5134 -1.8364 -1.8364 -1.8216 -1.8216 6.6991 6.6991 6.7011 6.7011 8.3615 8.3615 8.3676 8.3676 8.5276 8.5276 8.5291 8.5291 12.9933 12.9933 13.0034 13.0034 14.8241 14.8241 14.8250 14.8250 k = 0.4592 0.2651 0.3154 ( 2312 PWs) bands (ev): -30.8445 -30.8445 -30.8445 -30.8445 -12.1801 -12.1801 -12.1657 -12.1657 -10.9160 -10.9160 -10.8965 -10.8965 -10.5141 -10.5141 -10.5138 -10.5138 -1.8307 -1.8307 -1.8189 -1.8189 6.6994 6.6994 6.7009 6.7009 8.3717 8.3717 8.3766 8.3766 8.5363 8.5363 8.5375 8.5375 12.9924 12.9924 13.0007 13.0007 14.8078 14.8078 14.8084 14.8084 k = 0.4694 0.2710 0.3154 ( 2308 PWs) bands (ev): -30.8442 -30.8442 -30.8442 -30.8442 -12.1802 -12.1802 -12.1694 -12.1694 -10.9155 -10.9155 -10.9008 -10.9008 -10.5143 -10.5143 -10.5141 -10.5141 -1.8260 -1.8260 -1.8171 -1.8171 6.6997 6.6997 6.7008 6.7008 8.3798 8.3798 8.3835 8.3835 8.5431 8.5431 8.5440 8.5440 12.9923 12.9923 12.9987 12.9987 14.7943 14.7943 14.7947 14.7947 k = 0.4796 0.2769 0.3154 ( 2308 PWs) bands (ev): -30.8440 -30.8440 -30.8440 -30.8440 -12.1798 -12.1798 -12.1726 -12.1726 -10.9144 -10.9144 -10.9046 -10.9046 -10.5145 -10.5145 -10.5143 -10.5143 -1.8222 -1.8222 -1.8162 -1.8162 6.6999 6.6999 6.7007 6.7007 8.3858 8.3858 8.3883 8.3883 8.5480 8.5480 8.5486 8.5486 12.9928 12.9928 12.9971 12.9971 14.7842 14.7842 14.7844 14.7844 k = 0.4898 0.2828 0.3154 ( 2312 PWs) bands (ev): -30.8439 -30.8439 -30.8439 -30.8439 -12.1788 -12.1788 -12.1752 -12.1752 -10.9127 -10.9127 -10.9078 -10.9078 -10.5146 -10.5146 -10.5145 -10.5145 -1.8193 -1.8193 -1.8163 -1.8163 6.7002 6.7002 6.7005 6.7005 8.3897 8.3897 8.3909 8.3909 8.5511 8.5511 8.5514 8.5514 12.9935 12.9935 12.9957 12.9957 14.7779 14.7779 14.7780 14.7780 k = 0.5000 0.2887 0.3154 ( 2312 PWs) bands (ev): -30.8439 -30.8439 -30.8439 -30.8439 -12.1773 -12.1773 -12.1773 -12.1773 -10.9105 -10.9105 -10.9105 -10.9105 -10.5146 -10.5146 -10.5146 -10.5146 -1.8174 -1.8174 -1.8174 -1.8174 6.7004 6.7004 6.7004 6.7004 8.3914 8.3914 8.3914 8.3914 8.5522 8.5522 8.5522 8.5522 12.9946 12.9946 12.9946 12.9946 14.7759 14.7759 14.7759 14.7759 k = 0.5000 0.2887 0.3154 ( 2312 PWs) bands (ev): -30.8439 -30.8439 -30.8439 -30.8439 -12.1773 -12.1773 -12.1773 -12.1773 -10.9105 -10.9105 -10.9105 -10.9105 -10.5146 -10.5146 -10.5146 -10.5146 -1.8174 -1.8174 -1.8174 -1.8174 6.7004 6.7004 6.7004 6.7004 8.3914 8.3914 8.3914 8.3914 8.5522 8.5522 8.5522 8.5522 12.9946 12.9946 12.9946 12.9946 14.7759 14.7759 14.7759 14.7759 k = 0.4943 0.2986 0.3154 ( 2308 PWs) bands (ev): -30.8438 -30.8438 -30.8438 -30.8438 -12.1817 -12.1817 -12.1729 -12.1729 -10.9186 -10.9186 -10.9026 -10.9026 -10.5171 -10.5171 -10.5124 -10.5124 -1.8202 -1.8202 -1.8139 -1.8139 6.7006 6.7006 6.7026 6.7026 8.3845 8.3845 8.3956 8.3956 8.5484 8.5484 8.5568 8.5568 12.9916 12.9916 12.9955 12.9955 14.7693 14.7693 14.7742 14.7742 k = 0.4885 0.3086 0.3154 ( 2312 PWs) bands (ev): -30.8438 -30.8438 -30.8438 -30.8438 -12.1860 -12.1860 -12.1685 -12.1685 -10.9268 -10.9268 -10.8947 -10.8947 -10.5202 -10.5202 -10.5106 -10.5106 -1.8224 -1.8224 -1.8100 -1.8100 6.7033 6.7033 6.7073 6.7073 8.3752 8.3752 8.3968 8.3968 8.5455 8.5455 8.5617 8.5617 12.9867 12.9867 12.9944 12.9944 14.7551 14.7551 14.7645 14.7645 k = 0.4828 0.3185 0.3154 ( 2308 PWs) bands (ev): -30.8437 -30.8437 -30.8437 -30.8437 -12.1902 -12.1902 -12.1640 -12.1640 -10.9351 -10.9351 -10.8870 -10.8870 -10.5236 -10.5236 -10.5092 -10.5092 -1.8241 -1.8241 -1.8055 -1.8055 6.7084 6.7084 6.7145 6.7145 8.3637 8.3637 8.3948 8.3948 8.5439 8.5439 8.5669 8.5669 12.9797 12.9797 12.9911 12.9911 14.7349 14.7349 14.7481 14.7481 k = 0.4770 0.3285 0.3154 ( 2316 PWs) bands (ev): -30.8436 -30.8436 -30.8436 -30.8436 -12.1944 -12.1944 -12.1596 -12.1596 -10.9435 -10.9435 -10.8793 -10.8793 -10.5275 -10.5275 -10.5082 -10.5082 -1.8252 -1.8252 -1.8005 -1.8005 6.7160 6.7160 6.7241 6.7241 8.3503 8.3503 8.3895 8.3895 8.5436 8.5436 8.5720 8.5720 12.9705 12.9705 12.9856 12.9856 14.7105 14.7105 14.7268 14.7268 k = 0.4713 0.3384 0.3154 ( 2322 PWs) bands (ev): -30.8435 -30.8435 -30.8435 -30.8435 -12.1985 -12.1985 -12.1551 -12.1551 -10.9520 -10.9520 -10.8718 -10.8718 -10.5317 -10.5317 -10.5075 -10.5075 -1.8257 -1.8257 -1.7950 -1.7950 6.7259 6.7259 6.7360 6.7360 8.3351 8.3351 8.3812 8.3812 8.5446 8.5446 8.5771 8.5771 12.9590 12.9590 12.9776 12.9776 14.6837 14.6837 14.7024 14.7024 k = 0.4655 0.3484 0.3154 ( 2322 PWs) bands (ev): -30.8434 -30.8434 -30.8434 -30.8434 -12.2025 -12.2025 -12.1507 -12.1507 -10.9605 -10.9605 -10.8643 -10.8643 -10.5365 -10.5365 -10.5071 -10.5071 -1.8257 -1.8257 -1.7891 -1.7891 6.7383 6.7383 6.7503 6.7503 8.3184 8.3184 8.3700 8.3700 8.5466 8.5466 8.5820 8.5820 12.9450 12.9450 12.9669 12.9669 14.6562 14.6562 14.6768 14.6768 k = 0.4598 0.3584 0.3154 ( 2318 PWs) bands (ev): -30.8432 -30.8432 -30.8432 -30.8432 -12.2064 -12.2064 -12.1463 -12.1463 -10.9691 -10.9691 -10.8570 -10.8570 -10.5416 -10.5416 -10.5070 -10.5070 -1.8251 -1.8251 -1.7828 -1.7828 6.7528 6.7528 6.7667 6.7667 8.3002 8.3002 8.3564 8.3564 8.5495 8.5495 8.5868 8.5868 12.9283 12.9283 12.9534 12.9534 14.6295 14.6295 14.6514 14.6514 k = 0.4540 0.3683 0.3154 ( 2316 PWs) bands (ev): -30.8431 -30.8431 -30.8431 -30.8431 -12.2103 -12.2103 -12.1419 -12.1419 -10.9778 -10.9778 -10.8497 -10.8497 -10.5471 -10.5471 -10.5072 -10.5072 -1.8241 -1.8241 -1.7762 -1.7762 6.7696 6.7696 6.7853 6.7853 8.2807 8.2807 8.3405 8.3405 8.5531 8.5531 8.5913 8.5913 12.9088 12.9088 12.9368 12.9368 14.6047 14.6047 14.6275 14.6275 k = 0.4483 0.3783 0.3154 ( 2316 PWs) bands (ev): -30.8429 -30.8429 -30.8429 -30.8429 -12.2140 -12.2140 -12.1377 -12.1377 -10.9865 -10.9865 -10.8425 -10.8425 -10.5530 -10.5530 -10.5075 -10.5075 -1.8226 -1.8226 -1.7693 -1.7693 6.7884 6.7884 6.8059 6.8059 8.2599 8.2599 8.3228 8.3228 8.5571 8.5571 8.5957 8.5957 12.8865 12.8865 12.9171 12.9171 14.5827 14.5827 14.6060 14.6060 k = 0.4425 0.3882 0.3154 ( 2316 PWs) bands (ev): -30.8426 -30.8426 -30.8426 -30.8426 -12.2177 -12.2177 -12.1335 -12.1335 -10.9951 -10.9951 -10.8353 -10.8353 -10.5592 -10.5592 -10.5081 -10.5081 -1.8207 -1.8207 -1.7621 -1.7621 6.8093 6.8093 6.8283 6.8283 8.2379 8.2379 8.3035 8.3035 8.5615 8.5615 8.6000 8.6000 12.8612 12.8612 12.8943 12.8943 14.5642 14.5642 14.5878 14.5878 k = 0.4368 0.3982 0.3154 ( 2308 PWs) bands (ev): -30.8424 -30.8424 -30.8424 -30.8424 -12.2212 -12.2212 -12.1294 -12.1294 -11.0038 -11.0038 -10.8282 -10.8282 -10.5658 -10.5658 -10.5088 -10.5088 -1.8184 -1.8184 -1.7548 -1.7548 6.8319 6.8319 6.8526 6.8526 8.2150 8.2150 8.2828 8.2828 8.5663 8.5663 8.6042 8.6042 12.8332 12.8332 12.8683 12.8683 14.5497 14.5497 14.5732 14.5732 k = 0.4310 0.4081 0.3154 ( 2308 PWs) bands (ev): -30.8422 -30.8422 -30.8421 -30.8421 -12.2246 -12.2246 -12.1254 -12.1254 -11.0123 -11.0123 -10.8212 -10.8212 -10.5727 -10.5727 -10.5096 -10.5096 -1.8158 -1.8158 -1.7474 -1.7474 6.8562 6.8562 6.8784 6.8784 8.1912 8.1912 8.2609 8.2609 8.5712 8.5712 8.6083 8.6083 12.8027 12.8027 12.8395 12.8395 14.5393 14.5393 14.5626 14.5626 k = 0.4253 0.4181 0.3154 ( 2308 PWs) bands (ev): -30.8419 -30.8419 -30.8419 -30.8419 -12.2279 -12.2279 -12.1216 -12.1216 -11.0207 -11.0207 -10.8142 -10.8142 -10.5798 -10.5798 -10.5105 -10.5105 -1.8130 -1.8130 -1.7400 -1.7400 6.8821 6.8821 6.9055 6.9055 8.1666 8.1666 8.2381 8.2381 8.5763 8.5763 8.6124 8.6124 12.7697 12.7697 12.8080 12.8080 14.5332 14.5332 14.5560 14.5560 k = 0.4195 0.4280 0.3154 ( 2312 PWs) bands (ev): -30.8416 -30.8416 -30.8416 -30.8416 -12.2311 -12.2311 -12.1180 -12.1180 -11.0290 -11.0290 -10.8072 -10.8072 -10.5872 -10.5872 -10.5115 -10.5115 -1.8099 -1.8099 -1.7326 -1.7326 6.9092 6.9092 6.9339 6.9339 8.1413 8.1413 8.2145 8.2145 8.5816 8.5816 8.6165 8.6165 12.7349 12.7349 12.7744 12.7744 14.5311 14.5311 14.5534 14.5534 k = 0.4138 0.4380 0.3154 ( 2316 PWs) bands (ev): -30.8414 -30.8414 -30.8414 -30.8414 -12.2341 -12.2341 -12.1145 -12.1145 -11.0370 -11.0370 -10.8003 -10.8003 -10.5948 -10.5948 -10.5126 -10.5126 -1.8066 -1.8066 -1.7253 -1.7253 6.9375 6.9375 6.9632 6.9632 8.1157 8.1157 8.1903 8.1903 8.5871 8.5871 8.6206 8.6206 12.6986 12.6986 12.7390 12.7390 14.5330 14.5330 14.5546 14.5546 k = 0.4080 0.4479 0.3154 ( 2302 PWs) bands (ev): -30.8411 -30.8411 -30.8411 -30.8411 -12.2370 -12.2370 -12.1112 -12.1112 -11.0448 -11.0448 -10.7934 -10.7934 -10.6026 -10.6026 -10.5136 -10.5136 -1.8033 -1.8033 -1.7181 -1.7181 6.9665 6.9665 6.9932 6.9932 8.0898 8.0898 8.1659 8.1659 8.5929 8.5929 8.6248 8.6248 12.6613 12.6613 12.7024 12.7024 14.5383 14.5383 14.5594 14.5594 k = 0.4023 0.4579 0.3154 ( 2302 PWs) bands (ev): -30.8408 -30.8408 -30.8408 -30.8408 -12.2398 -12.2398 -12.1082 -12.1082 -11.0523 -11.0523 -10.7865 -10.7865 -10.6105 -10.6105 -10.5147 -10.5147 -1.7999 -1.7999 -1.7112 -1.7112 6.9962 6.9962 7.0236 7.0236 8.0637 8.0637 8.1413 8.1413 8.5987 8.5987 8.6289 8.6289 12.6235 12.6235 12.6652 12.6652 14.5467 14.5467 14.5672 14.5672 k = 0.3966 0.4679 0.3154 ( 2302 PWs) bands (ev): -30.8406 -30.8406 -30.8406 -30.8406 -12.2424 -12.2424 -12.1053 -12.1053 -11.0594 -11.0594 -10.7797 -10.7797 -10.6185 -10.6185 -10.5157 -10.5157 -1.7965 -1.7965 -1.7046 -1.7046 7.0260 7.0260 7.0540 7.0540 8.0379 8.0379 8.1169 8.1169 8.6046 8.6046 8.6331 8.6331 12.5860 12.5860 12.6281 12.6281 14.5576 14.5576 14.5778 14.5778 k = 0.3908 0.4778 0.3154 ( 2304 PWs) bands (ev): -30.8403 -30.8403 -30.8403 -30.8403 -12.2448 -12.2448 -12.1028 -12.1028 -11.0661 -11.0661 -10.7728 -10.7728 -10.6265 -10.6265 -10.5167 -10.5167 -1.7931 -1.7931 -1.6983 -1.6983 7.0557 7.0557 7.0841 7.0841 8.0124 8.0124 8.0929 8.0929 8.6106 8.6106 8.6372 8.6372 12.5492 12.5492 12.5915 12.5915 14.5704 14.5704 14.5904 14.5904 k = 0.3851 0.4878 0.3154 ( 2308 PWs) bands (ev): -30.8401 -30.8401 -30.8400 -30.8400 -12.2471 -12.2471 -12.1005 -12.1005 -11.0724 -11.0724 -10.7660 -10.7660 -10.6346 -10.6346 -10.5176 -10.5176 -1.7899 -1.7899 -1.6924 -1.6924 7.0849 7.0849 7.1136 7.1136 7.9876 7.9876 8.0696 8.0696 8.6165 8.6165 8.6412 8.6412 12.5137 12.5137 12.5562 12.5562 14.5847 14.5847 14.6047 14.6047 k = 0.3793 0.4977 0.3154 ( 2308 PWs) bands (ev): -30.8398 -30.8398 -30.8398 -30.8398 -12.2491 -12.2491 -12.0984 -12.0984 -11.0781 -11.0781 -10.7592 -10.7592 -10.6427 -10.6427 -10.5185 -10.5185 -1.7868 -1.7868 -1.6869 -1.6869 7.1131 7.1131 7.1418 7.1418 7.9638 7.9638 8.0473 8.0473 8.6225 8.6225 8.6451 8.6451 12.4801 12.4801 12.5227 12.5227 14.5997 14.5997 14.6199 14.6199 k = 0.3736 0.5077 0.3154 ( 2308 PWs) bands (ev): -30.8396 -30.8396 -30.8396 -30.8396 -12.2510 -12.2510 -12.0966 -12.0966 -11.0833 -11.0833 -10.7524 -10.7524 -10.6507 -10.6507 -10.5192 -10.5192 -1.7839 -1.7839 -1.6820 -1.6820 7.1399 7.1399 7.1685 7.1685 7.9415 7.9415 8.0265 8.0265 8.6282 8.6282 8.6487 8.6487 12.4489 12.4489 12.4915 12.4915 14.6148 14.6148 14.6356 14.6356 k = 0.3678 0.5176 0.3154 ( 2308 PWs) bands (ev): -30.8394 -30.8394 -30.8394 -30.8394 -12.2527 -12.2527 -12.0951 -12.0951 -11.0879 -11.0879 -10.7457 -10.7457 -10.6586 -10.6586 -10.5199 -10.5199 -1.7813 -1.7813 -1.6776 -1.6776 7.1647 7.1647 7.1930 7.1930 7.9209 7.9209 8.0075 8.0075 8.6337 8.6337 8.6520 8.6520 12.4207 12.4207 12.4633 12.4633 14.6296 14.6296 14.6509 14.6509 k = 0.3621 0.5276 0.3154 ( 2306 PWs) bands (ev): -30.8392 -30.8392 -30.8392 -30.8392 -12.2542 -12.2542 -12.0939 -12.0939 -11.0919 -11.0919 -10.7390 -10.7390 -10.6664 -10.6664 -10.5205 -10.5205 -1.7790 -1.7790 -1.6738 -1.6738 7.1868 7.1868 7.2149 7.2149 7.9025 7.9025 7.9907 7.9907 8.6389 8.6389 8.6549 8.6549 12.3959 12.3959 12.4384 12.4384 14.6433 14.6433 14.6655 14.6655 k = 0.3563 0.5375 0.3154 ( 2302 PWs) bands (ev): -30.8391 -30.8391 -30.8391 -30.8391 -12.2554 -12.2554 -12.0929 -12.0929 -11.0952 -11.0952 -10.7324 -10.7324 -10.6739 -10.6739 -10.5210 -10.5210 -1.7770 -1.7770 -1.6707 -1.6707 7.2059 7.2059 7.2336 7.2336 7.8869 7.8869 7.9766 7.9766 8.6435 8.6435 8.6573 8.6573 12.3750 12.3750 12.4174 12.4174 14.6555 14.6555 14.6785 14.6785 k = 0.3506 0.5475 0.3154 ( 2290 PWs) bands (ev): -30.8389 -30.8389 -30.8389 -30.8389 -12.2563 -12.2563 -12.0922 -12.0922 -11.0978 -11.0978 -10.7259 -10.7259 -10.6812 -10.6812 -10.5213 -10.5213 -1.7754 -1.7754 -1.6681 -1.6681 7.2213 7.2213 7.2487 7.2487 7.8743 7.8743 7.9653 7.9653 8.6475 8.6475 8.6592 8.6592 12.3582 12.3582 12.4006 12.4006 14.6656 14.6656 14.6893 14.6893 k = 0.3448 0.5574 0.3154 ( 2286 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2571 -12.2571 -12.0917 -12.0917 -11.0996 -11.0996 -10.7197 -10.7197 -10.6880 -10.6880 -10.5216 -10.5216 -1.7743 -1.7743 -1.6663 -1.6663 7.2325 7.2325 7.2596 7.2596 7.8653 7.8653 7.9573 7.9573 8.6506 8.6506 8.6604 8.6604 12.3460 12.3460 12.3883 12.3883 14.6732 14.6732 14.6976 14.6976 k = 0.3391 0.5674 0.3154 ( 2286 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2575 -12.2575 -12.0914 -12.0914 -11.1007 -11.1007 -10.7143 -10.7143 -10.6937 -10.6937 -10.5217 -10.5217 -1.7735 -1.7735 -1.6652 -1.6652 7.2393 7.2393 7.2663 7.2663 7.8598 7.8598 7.9525 7.9525 8.6527 8.6527 8.6611 8.6611 12.3386 12.3386 12.3807 12.3807 14.6778 14.6778 14.7027 14.7027 k = 0.3333 0.5774 0.3154 ( 2280 PWs) bands (ev): -30.8387 -30.8387 -30.8387 -30.8387 -12.2576 -12.2576 -12.0913 -12.0913 -11.1011 -11.1011 -10.7117 -10.7117 -10.6964 -10.6964 -10.5218 -10.5218 -1.7733 -1.7733 -1.6648 -1.6648 7.2415 7.2415 7.2685 7.2685 7.8581 7.8581 7.9510 7.9510 8.6535 8.6535 8.6614 8.6614 12.3361 12.3361 12.3782 12.3782 14.6795 14.6795 14.7044 14.7044 k = 0.3333 0.5774 0.3154 ( 2280 PWs) bands (ev): -30.8387 -30.8387 -30.8387 -30.8387 -12.2576 -12.2576 -12.0913 -12.0913 -11.1011 -11.1011 -10.7117 -10.7117 -10.6964 -10.6964 -10.5218 -10.5218 -1.7733 -1.7733 -1.6648 -1.6648 7.2415 7.2415 7.2685 7.2685 7.8581 7.8581 7.9510 7.9510 8.6535 8.6535 8.6614 8.6614 12.3361 12.3361 12.3782 12.3782 14.6795 14.6795 14.7044 14.7044 k = 0.3275 0.5672 0.3154 ( 2284 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2575 -12.2575 -12.0914 -12.0914 -11.1007 -11.1007 -10.7143 -10.7143 -10.6937 -10.6937 -10.5217 -10.5217 -1.7736 -1.7736 -1.6652 -1.6652 7.2393 7.2393 7.2663 7.2663 7.8598 7.8598 7.9524 7.9524 8.6527 8.6527 8.6611 8.6611 12.3387 12.3387 12.3809 12.3809 14.6778 14.6778 14.7026 14.7026 k = 0.3216 0.5571 0.3154 ( 2292 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2570 -12.2570 -12.0916 -12.0916 -11.0996 -11.0996 -10.7194 -10.7194 -10.6882 -10.6882 -10.5216 -10.5216 -1.7744 -1.7744 -1.6664 -1.6664 7.2327 7.2327 7.2598 7.2598 7.8646 7.8646 7.9566 7.9566 8.6504 8.6504 8.6603 8.6603 12.3465 12.3465 12.3888 12.3888 14.6728 14.6728 14.6971 14.6971 k = 0.3158 0.5470 0.3154 ( 2292 PWs) bands (ev): -30.8390 -30.8390 -30.8390 -30.8390 -12.2562 -12.2562 -12.0919 -12.0919 -11.0976 -11.0976 -10.7249 -10.7249 -10.6820 -10.6820 -10.5213 -10.5213 -1.7758 -1.7758 -1.6684 -1.6684 7.2224 7.2224 7.2497 7.2497 7.8720 7.8720 7.9629 7.9629 8.6467 8.6467 8.6586 8.6586 12.3596 12.3596 12.4021 12.4021 14.6646 14.6646 14.6882 14.6882 k = 0.3099 0.5368 0.3154 ( 2292 PWs) bands (ev): -30.8391 -30.8391 -30.8391 -30.8391 -12.2550 -12.2550 -12.0923 -12.0923 -11.0949 -11.0949 -10.7304 -10.7304 -10.6754 -10.6754 -10.5210 -10.5210 -1.7777 -1.7777 -1.6712 -1.6712 7.2089 7.2089 7.2363 7.2363 7.8813 7.8813 7.9708 7.9708 8.6418 8.6418 8.6561 8.6561 12.3777 12.3777 12.4205 12.4205 14.6535 14.6535 14.6762 14.6762 k = 0.3041 0.5267 0.3154 ( 2290 PWs) bands (ev): -30.8393 -30.8393 -30.8393 -30.8393 -12.2534 -12.2534 -12.0927 -12.0927 -11.0914 -11.0914 -10.7357 -10.7357 -10.6688 -10.6688 -10.5205 -10.5205 -1.7803 -1.7803 -1.6748 -1.6748 7.1927 7.1927 7.2203 7.2203 7.8918 7.8918 7.9796 7.9796 8.6359 8.6359 8.6525 8.6525 12.4005 12.4005 12.4438 12.4438 14.6397 14.6397 14.6613 14.6613 k = 0.2982 0.5166 0.3154 ( 2296 PWs) bands (ev): -30.8396 -30.8396 -30.8396 -30.8396 -12.2515 -12.2515 -12.0931 -12.0931 -11.0872 -11.0872 -10.7406 -10.7406 -10.6621 -10.6621 -10.5200 -10.5200 -1.7835 -1.7835 -1.6792 -1.6792 7.1744 7.1744 7.2021 7.2021 7.9029 7.9029 7.9888 7.9888 8.6289 8.6289 8.6480 8.6480 12.4279 12.4279 12.4717 12.4717 14.6234 14.6234 14.6439 14.6439 k = 0.2924 0.5064 0.3154 ( 2296 PWs) bands (ev): -30.8399 -30.8399 -30.8399 -30.8399 -12.2492 -12.2492 -12.0934 -12.0934 -11.0823 -11.0823 -10.7452 -10.7452 -10.6554 -10.6554 -10.5193 -10.5193 -1.7874 -1.7874 -1.6844 -1.6844 7.1544 7.1544 7.1823 7.1823 7.9139 7.9139 7.9977 7.9977 8.6211 8.6211 8.6426 8.6426 12.4594 12.4594 12.5039 12.5039 14.6051 14.6051 14.6245 14.6245 k = 0.2865 0.4963 0.3154 ( 2296 PWs) bands (ev): -30.8403 -30.8403 -30.8403 -30.8403 -12.2465 -12.2465 -12.0937 -12.0937 -11.0767 -11.0767 -10.7495 -10.7495 -10.6487 -10.6487 -10.5186 -10.5186 -1.7919 -1.7919 -1.6905 -1.6905 7.1333 7.1333 7.1612 7.1612 7.9245 7.9245 8.0060 8.0060 8.6126 8.6126 8.6362 8.6362 12.4946 12.4946 12.5399 12.5399 14.5849 14.5849 14.6033 14.6033 k = 0.2807 0.4862 0.3154 ( 2292 PWs) bands (ev): -30.8407 -30.8407 -30.8407 -30.8407 -12.2434 -12.2434 -12.0938 -12.0938 -11.0704 -11.0704 -10.7533 -10.7533 -10.6420 -10.6420 -10.5178 -10.5178 -1.7971 -1.7971 -1.6973 -1.6973 7.1114 7.1114 7.1392 7.1392 7.9342 7.9342 8.0131 8.0131 8.6033 8.6033 8.6291 8.6291 12.5331 12.5331 12.5793 12.5793 14.5632 14.5632 14.5809 14.5809 k = 0.2749 0.4761 0.3154 ( 2292 PWs) bands (ev): -30.8412 -30.8412 -30.8412 -30.8412 -12.2399 -12.2399 -12.0937 -12.0937 -11.0635 -11.0635 -10.7568 -10.7568 -10.6354 -10.6354 -10.5169 -10.5169 -1.8029 -1.8029 -1.7049 -1.7049 7.0890 7.0890 7.1167 7.1167 7.9428 7.9428 8.0189 8.0189 8.5935 8.5935 8.6212 8.6212 12.5744 12.5744 12.6215 12.6215 14.5402 14.5402 14.5575 14.5575 k = 0.2690 0.4659 0.3154 ( 2300 PWs) bands (ev): -30.8417 -30.8417 -30.8417 -30.8417 -12.2359 -12.2359 -12.0934 -12.0934 -11.0561 -11.0561 -10.7598 -10.7598 -10.6288 -10.6288 -10.5160 -10.5160 -1.8094 -1.8094 -1.7134 -1.7134 7.0663 7.0663 7.0938 7.0938 7.9499 7.9499 8.0231 8.0231 8.5831 8.5831 8.6126 8.6126 12.6178 12.6178 12.6660 12.6660 14.5164 14.5164 14.5334 14.5334 k = 0.2632 0.4558 0.3154 ( 2304 PWs) bands (ev): -30.8423 -30.8423 -30.8423 -30.8423 -12.2316 -12.2316 -12.0929 -12.0929 -11.0480 -11.0480 -10.7624 -10.7624 -10.6222 -10.6222 -10.5150 -10.5150 -1.8166 -1.8166 -1.7225 -1.7225 7.0437 7.0437 7.0710 7.0710 7.9555 7.9555 8.0254 8.0254 8.5723 8.5723 8.6034 8.6034 12.6630 12.6630 12.7122 12.7122 14.4919 14.4919 14.5090 14.5090 k = 0.2573 0.4457 0.3154 ( 2314 PWs) bands (ev): -30.8430 -30.8430 -30.8430 -30.8430 -12.2270 -12.2270 -12.0921 -12.0921 -11.0395 -11.0395 -10.7645 -10.7645 -10.6157 -10.6157 -10.5139 -10.5139 -1.8245 -1.8245 -1.7325 -1.7325 7.0214 7.0214 7.0483 7.0483 7.9594 7.9594 8.0259 8.0259 8.5609 8.5609 8.5935 8.5935 12.7095 12.7095 12.7596 12.7596 14.4672 14.4672 14.4846 14.4846 k = 0.2515 0.4355 0.3154 ( 2310 PWs) bands (ev): -30.8437 -30.8437 -30.8437 -30.8437 -12.2219 -12.2219 -12.0910 -12.0910 -11.0305 -11.0305 -10.7662 -10.7662 -10.6092 -10.6092 -10.5127 -10.5127 -1.8331 -1.8331 -1.7432 -1.7432 6.9995 6.9995 7.0260 7.0260 7.9616 7.9616 8.0246 8.0246 8.5491 8.5491 8.5830 8.5830 12.7567 12.7567 12.8077 12.8077 14.4426 14.4426 14.4605 14.4605 k = 0.2456 0.4254 0.3154 ( 2318 PWs) bands (ev): -30.8444 -30.8444 -30.8444 -30.8444 -12.2164 -12.2164 -12.0896 -12.0896 -11.0210 -11.0210 -10.7674 -10.7674 -10.6028 -10.6028 -10.5115 -10.5115 -1.8424 -1.8424 -1.7546 -1.7546 6.9781 6.9781 7.0042 7.0042 7.9621 7.9621 8.0214 8.0214 8.5367 8.5367 8.5717 8.5717 12.8043 12.8043 12.8560 12.8560 14.4184 14.4184 14.4369 14.4369 k = 0.2398 0.4153 0.3154 ( 2322 PWs) bands (ev): -30.8453 -30.8453 -30.8453 -30.8453 -12.2106 -12.2106 -12.0878 -12.0878 -11.0111 -11.0111 -10.7681 -10.7681 -10.5964 -10.5964 -10.5103 -10.5103 -1.8524 -1.8524 -1.7667 -1.7667 6.9575 6.9575 6.9831 6.9831 7.9610 7.9610 8.0165 8.0165 8.5236 8.5236 8.5597 8.5597 12.8519 12.8519 12.9042 12.9042 14.3949 14.3949 14.4140 14.4140 k = 0.2339 0.4052 0.3154 ( 2318 PWs) bands (ev): -30.8461 -30.8461 -30.8461 -30.8461 -12.2045 -12.2045 -12.0857 -12.0857 -11.0009 -11.0009 -10.7683 -10.7683 -10.5902 -10.5902 -10.5090 -10.5090 -1.8631 -1.8631 -1.7796 -1.7796 6.9377 6.9377 6.9628 6.9628 7.9584 7.9584 8.0100 8.0100 8.5097 8.5097 8.5468 8.5468 12.8992 12.8992 12.9519 12.9519 14.3725 14.3725 14.3923 14.3923 k = 0.2281 0.3950 0.3154 ( 2318 PWs) bands (ev): -30.8470 -30.8470 -30.8470 -30.8470 -12.1980 -12.1980 -12.0833 -12.0833 -10.9903 -10.9903 -10.7681 -10.7681 -10.5839 -10.5839 -10.5076 -10.5076 -1.8744 -1.8744 -1.7931 -1.7931 6.9188 6.9188 6.9435 6.9435 7.9544 7.9544 8.0022 8.0022 8.4949 8.4949 8.5328 8.5328 12.9460 12.9460 12.9988 12.9988 14.3514 14.3514 14.3718 14.3718 k = 0.2222 0.3849 0.3154 ( 2314 PWs) bands (ev): -30.8480 -30.8480 -30.8480 -30.8480 -12.1913 -12.1913 -12.0805 -12.0805 -10.9794 -10.9794 -10.7673 -10.7673 -10.5777 -10.5777 -10.5062 -10.5062 -1.8865 -1.8865 -1.8073 -1.8073 6.9010 6.9010 6.9251 6.9251 7.9491 7.9491 7.9931 7.9931 8.4791 8.4791 8.5177 8.5177 12.9921 12.9921 13.0447 13.0447 14.3319 14.3319 14.3529 14.3529 k = 0.2164 0.3748 0.3154 ( 2314 PWs) bands (ev): -30.8490 -30.8490 -30.8490 -30.8490 -12.1843 -12.1843 -12.0773 -12.0773 -10.9683 -10.9683 -10.7661 -10.7661 -10.5716 -10.5716 -10.5047 -10.5047 -1.8993 -1.8993 -1.8221 -1.8221 6.8843 6.8843 6.9079 6.9079 7.9428 7.9428 7.9831 7.9831 8.4620 8.4620 8.5013 8.5013 13.0374 13.0374 13.0896 13.0896 14.3142 14.3142 14.3357 14.3357 k = 0.2105 0.3646 0.3154 ( 2322 PWs) bands (ev): -30.8501 -30.8501 -30.8501 -30.8501 -12.1770 -12.1770 -12.0738 -12.0738 -10.9570 -10.9570 -10.7643 -10.7643 -10.5656 -10.5656 -10.5031 -10.5031 -1.9127 -1.9127 -1.8375 -1.8375 6.8689 6.8689 6.8919 6.8919 7.9354 7.9354 7.9721 7.9721 8.4436 8.4436 8.4834 8.4834 13.0817 13.0817 13.1332 13.1332 14.2985 14.2985 14.3204 14.3204 k = 0.2047 0.3545 0.3154 ( 2330 PWs) bands (ev): -30.8512 -30.8512 -30.8512 -30.8512 -12.1695 -12.1695 -12.0699 -12.0699 -10.9454 -10.9454 -10.7620 -10.7620 -10.5597 -10.5597 -10.5015 -10.5015 -1.9268 -1.9268 -1.8535 -1.8535 6.8548 6.8548 6.8772 6.8772 7.9273 7.9273 7.9606 7.9606 8.4239 8.4239 8.4641 8.4641 13.1251 13.1251 13.1758 13.1758 14.2851 14.2851 14.3072 14.3072 k = 0.1988 0.3444 0.3154 ( 2330 PWs) bands (ev): -30.8523 -30.8523 -30.8523 -30.8523 -12.1619 -12.1619 -12.0657 -12.0657 -10.9338 -10.9338 -10.7592 -10.7592 -10.5538 -10.5538 -10.4998 -10.4998 -1.9415 -1.9415 -1.8702 -1.8702 6.8420 6.8420 6.8639 6.8639 7.9185 7.9185 7.9485 7.9485 8.4027 8.4027 8.4433 8.4433 13.1677 13.1677 13.2171 13.2171 14.2740 14.2740 14.2962 14.2962 k = 0.1930 0.3343 0.3154 ( 2330 PWs) bands (ev): -30.8535 -30.8535 -30.8535 -30.8535 -12.1540 -12.1540 -12.0612 -12.0612 -10.9220 -10.9220 -10.7559 -10.7559 -10.5479 -10.5479 -10.4981 -10.4981 -1.9569 -1.9569 -1.8873 -1.8873 6.8308 6.8308 6.8521 6.8521 7.9092 7.9092 7.9362 7.9362 8.3801 8.3801 8.4208 8.4208 13.2094 13.2094 13.2574 13.2574 14.2653 14.2653 14.2875 14.2875 k = 0.1871 0.3241 0.3154 ( 2330 PWs) bands (ev): -30.8547 -30.8547 -30.8547 -30.8547 -12.1461 -12.1461 -12.0563 -12.0563 -10.9101 -10.9101 -10.7521 -10.7520 -10.5422 -10.5422 -10.4963 -10.4963 -1.9728 -1.9728 -1.9050 -1.9050 6.8210 6.8210 6.8418 6.8418 7.8995 7.8995 7.9236 7.9236 8.3560 8.3560 8.3967 8.3967 13.2503 13.2503 13.2967 13.2967 14.2592 14.2592 14.2813 14.2813 k = 0.1813 0.3140 0.3154 ( 2322 PWs) bands (ev): -30.8559 -30.8559 -30.8559 -30.8559 -12.1380 -12.1380 -12.0512 -12.0512 -10.8982 -10.8982 -10.7477 -10.7477 -10.5365 -10.5365 -10.4944 -10.4944 -1.9893 -1.9893 -1.9231 -1.9231 6.8129 6.8129 6.8331 6.8331 7.8895 7.8895 7.9110 7.9110 8.3305 8.3305 8.3711 8.3711 13.2903 13.2903 13.3350 13.3350 14.2556 14.2556 14.2776 14.2776 k = 0.1754 0.3039 0.3154 ( 2326 PWs) bands (ev): -30.8572 -30.8572 -30.8572 -30.8572 -12.1300 -12.1300 -12.0459 -12.0459 -10.8864 -10.8864 -10.7429 -10.7429 -10.5309 -10.5309 -10.4924 -10.4924 -2.0064 -2.0064 -1.9417 -1.9417 6.8063 6.8063 6.8259 6.8259 7.8792 7.8792 7.8983 7.8983 8.3035 8.3035 8.3439 8.3439 13.3295 13.3295 13.3723 13.3723 14.2547 14.2547 14.2764 14.2764 k = 0.1696 0.2937 0.3154 ( 2322 PWs) bands (ev): -30.8585 -30.8585 -30.8585 -30.8585 -12.1218 -12.1218 -12.0404 -12.0404 -10.8745 -10.8745 -10.7376 -10.7376 -10.5253 -10.5253 -10.4903 -10.4903 -2.0239 -2.0239 -1.9607 -1.9607 6.8014 6.8014 6.8204 6.8204 7.8688 7.8688 7.8857 7.8857 8.2754 8.2754 8.3153 8.3153 13.3679 13.3679 13.4086 13.4086 14.2563 14.2563 14.2777 14.2777 k = 0.1637 0.2836 0.3154 ( 2330 PWs) bands (ev): -30.8598 -30.8598 -30.8598 -30.8598 -12.1137 -12.1137 -12.0347 -12.0347 -10.8627 -10.8627 -10.7319 -10.7319 -10.5198 -10.5198 -10.4880 -10.4880 -2.0418 -2.0418 -1.9801 -1.9801 6.7981 6.7981 6.8165 6.8165 7.8582 7.8582 7.8732 7.8732 8.2459 8.2459 8.2854 8.2854 13.4052 13.4052 13.4438 13.4438 14.2605 14.2605 14.2815 14.2815 k = 0.1579 0.2735 0.3154 ( 2334 PWs) bands (ev): -30.8611 -30.8611 -30.8611 -30.8611 -12.1056 -12.1056 -12.0289 -12.0289 -10.8510 -10.8510 -10.7258 -10.7258 -10.5143 -10.5143 -10.4857 -10.4857 -2.0602 -2.0602 -1.9999 -1.9999 6.7966 6.7966 6.8144 6.8144 7.8474 7.8474 7.8610 7.8610 8.2155 8.2155 8.2543 8.2543 13.4414 13.4414 13.4778 13.4778 14.2672 14.2672 14.2879 14.2879 k = 0.1520 0.2634 0.3154 ( 2326 PWs) bands (ev): -30.8624 -30.8624 -30.8624 -30.8624 -12.0975 -12.0975 -12.0230 -12.0230 -10.8394 -10.8394 -10.7194 -10.7194 -10.5089 -10.5089 -10.4832 -10.4832 -2.0788 -2.0788 -2.0199 -2.0199 6.7967 6.7967 6.8139 6.8139 7.8367 7.8367 7.8490 7.8490 8.1842 8.1842 8.2222 8.2222 13.4762 13.4762 13.5104 13.5104 14.2764 14.2764 14.2967 14.2967 k = 0.1462 0.2532 0.3154 ( 2330 PWs) bands (ev): -30.8637 -30.8637 -30.8637 -30.8637 -12.0894 -12.0894 -12.0171 -12.0171 -10.8280 -10.8280 -10.7127 -10.7127 -10.5036 -10.5036 -10.4806 -10.4806 -2.0978 -2.0978 -2.0402 -2.0402 6.7986 6.7986 6.8151 6.8151 7.8258 7.8258 7.8373 7.8373 8.1521 8.1521 8.1892 8.1893 13.5093 13.5093 13.5412 13.5412 14.2879 14.2879 14.3080 14.3080 k = 0.1404 0.2431 0.3154 ( 2326 PWs) bands (ev): -30.8650 -30.8650 -30.8650 -30.8650 -12.0815 -12.0815 -12.0111 -12.0111 -10.8167 -10.8167 -10.7057 -10.7057 -10.4982 -10.4982 -10.4778 -10.4778 -2.1169 -2.1169 -2.0606 -2.0606 6.8021 6.8021 6.8180 6.8180 7.8148 7.8148 7.8259 7.8259 8.1195 8.1195 8.1557 8.1557 13.5404 13.5404 13.5700 13.5700 14.3019 14.3019 14.3216 14.3216 k = 0.1345 0.2330 0.3154 ( 2334 PWs) bands (ev): -30.8663 -30.8663 -30.8663 -30.8663 -12.0736 -12.0736 -12.0053 -12.0053 -10.8055 -10.8055 -10.6987 -10.6987 -10.4929 -10.4929 -10.4749 -10.4749 -2.1361 -2.1361 -2.0812 -2.0812 6.8073 6.8073 6.8224 6.8224 7.8037 7.8037 7.8147 7.8147 8.0864 8.0864 8.1216 8.1216 13.5689 13.5689 13.5961 13.5961 14.3180 14.3180 14.3374 14.3374 k = 0.1287 0.2228 0.3154 ( 2330 PWs) bands (ev): -30.8676 -30.8676 -30.8676 -30.8676 -12.0659 -12.0659 -11.9995 -11.9995 -10.7946 -10.7946 -10.6916 -10.6916 -10.4877 -10.4877 -10.4718 -10.4718 -2.1553 -2.1553 -2.1018 -2.1018 6.8141 6.8141 6.8284 6.8284 7.7927 7.7927 7.8038 7.8038 8.0533 8.0533 8.0873 8.0873 13.5944 13.5944 13.6192 13.6192 14.3364 14.3364 14.3555 14.3555 k = 0.1228 0.2127 0.3154 ( 2330 PWs) bands (ev): -30.8688 -30.8688 -30.8688 -30.8688 -12.0583 -12.0583 -11.9939 -11.9939 -10.7838 -10.7838 -10.6845 -10.6845 -10.4824 -10.4824 -10.4685 -10.4685 -2.1746 -2.1746 -2.1224 -2.1224 6.8225 6.8225 6.8360 6.8360 7.7816 7.7816 7.7931 7.7931 8.0201 8.0201 8.0529 8.0529 13.6162 13.6162 13.6385 13.6385 14.3567 14.3567 14.3755 14.3755 k = 0.1170 0.2026 0.3154 ( 2326 PWs) bands (ev): -30.8701 -30.8701 -30.8701 -30.8701 -12.0509 -12.0509 -11.9885 -11.9885 -10.7733 -10.7733 -10.6776 -10.6776 -10.4772 -10.4772 -10.4650 -10.4650 -2.1937 -2.1937 -2.1430 -2.1430 6.8323 6.8323 6.8450 6.8450 7.7704 7.7704 7.7825 7.7825 7.9871 7.9871 8.0186 8.0186 13.6337 13.6337 13.6536 13.6536 14.3791 14.3791 14.3975 14.3975 k = 0.1111 0.1925 0.3154 ( 2318 PWs) bands (ev): -30.8713 -30.8713 -30.8713 -30.8713 -12.0436 -12.0436 -11.9832 -11.9832 -10.7629 -10.7629 -10.6708 -10.6708 -10.4720 -10.4720 -10.4613 -10.4613 -2.2125 -2.2125 -2.1634 -2.1634 6.8436 6.8436 6.8554 6.8554 7.7594 7.7594 7.7721 7.7721 7.9545 7.9545 7.9848 7.9848 13.6464 13.6464 13.6637 13.6637 14.4032 14.4032 14.4214 14.4214 k = 0.1053 0.1823 0.3154 ( 2326 PWs) bands (ev): -30.8725 -30.8725 -30.8725 -30.8725 -12.0365 -12.0365 -11.9783 -11.9783 -10.7528 -10.7528 -10.6643 -10.6643 -10.4668 -10.4668 -10.4574 -10.4574 -2.2311 -2.2311 -2.1836 -2.1836 6.8561 6.8561 6.8669 6.8669 7.7483 7.7483 7.7616 7.7616 7.9225 7.9225 7.9514 7.9514 13.6538 13.6538 13.6685 13.6685 14.4290 14.4290 14.4468 14.4468 k = 0.0994 0.1722 0.3154 ( 2318 PWs) bands (ev): -30.8737 -30.8737 -30.8737 -30.8737 -12.0295 -12.0295 -11.9736 -11.9736 -10.7430 -10.7430 -10.6582 -10.6582 -10.4616 -10.4616 -10.4535 -10.4535 -2.2492 -2.2492 -2.2035 -2.2035 6.8699 6.8699 6.8797 6.8797 7.7372 7.7372 7.7512 7.7512 7.8913 7.8913 7.9188 7.9188 13.6555 13.6555 13.6677 13.6677 14.4563 14.4563 14.4737 14.4737 k = 0.0936 0.1621 0.3154 ( 2322 PWs) bands (ev): -30.8748 -30.8748 -30.8748 -30.8748 -12.0228 -12.0228 -11.9692 -11.9692 -10.7334 -10.7334 -10.6525 -10.6525 -10.4565 -10.4565 -10.4493 -10.4493 -2.2669 -2.2669 -2.2230 -2.2230 6.8847 6.8847 6.8935 6.8935 7.7262 7.7262 7.7408 7.7408 7.8611 7.8611 7.8871 7.8871 13.6513 13.6513 13.6612 13.6612 14.4849 14.4849 14.5019 14.5019 k = 0.0877 0.1519 0.3154 ( 2322 PWs) bands (ev): -30.8758 -30.8758 -30.8758 -30.8758 -12.0163 -12.0163 -11.9652 -11.9652 -10.7241 -10.7241 -10.6472 -10.6472 -10.4513 -10.4513 -10.4452 -10.4452 -2.2839 -2.2839 -2.2420 -2.2420 6.9004 6.9004 6.9082 6.9082 7.7152 7.7152 7.7304 7.7304 7.8319 7.8319 7.8565 7.8565 13.6416 13.6416 13.6494 13.6494 14.5145 14.5145 14.5311 14.5311 k = 0.0819 0.1418 0.3154 ( 2326 PWs) bands (ev): -30.8769 -30.8769 -30.8769 -30.8769 -12.0100 -12.0100 -11.9615 -11.9615 -10.7152 -10.7152 -10.6424 -10.6424 -10.4462 -10.4462 -10.4409 -10.4409 -2.3003 -2.3003 -2.2604 -2.2604 6.9168 6.9168 6.9236 6.9236 7.7042 7.7042 7.7199 7.7199 7.8040 7.8040 7.8271 7.8271 13.6267 13.6267 13.6327 13.6327 14.5450 14.5450 14.5611 14.5611 k = 0.0760 0.1317 0.3154 ( 2330 PWs) bands (ev): -30.8779 -30.8779 -30.8779 -30.8779 -12.0039 -12.0039 -11.9582 -11.9582 -10.7065 -10.7065 -10.6382 -10.6382 -10.4412 -10.4412 -10.4367 -10.4367 -2.3159 -2.3159 -2.2782 -2.2782 6.9338 6.9338 6.9395 6.9395 7.6933 7.6933 7.7093 7.7093 7.7776 7.7776 7.7991 7.7991 13.6073 13.6073 13.6121 13.6121 14.5759 14.5759 14.5917 14.5917 k = 0.0702 0.1215 0.3154 ( 2332 PWs) bands (ev): -30.8788 -30.8788 -30.8788 -30.8788 -11.9981 -11.9981 -11.9552 -11.9552 -10.6983 -10.6983 -10.6346 -10.6346 -10.4362 -10.4362 -10.4325 -10.4325 -2.3306 -2.3306 -2.2952 -2.2952 6.9511 6.9511 6.9558 6.9558 7.6825 7.6825 7.6988 7.6988 7.7528 7.7528 7.7727 7.7727 13.5843 13.5843 13.5884 13.5884 14.6071 14.6071 14.6224 14.6224 k = 0.0643 0.1114 0.3154 ( 2336 PWs) bands (ev): -30.8796 -30.8796 -30.8796 -30.8796 -11.9926 -11.9926 -11.9527 -11.9527 -10.6904 -10.6904 -10.6314 -10.6314 -10.4314 -10.4314 -10.4284 -10.4284 -2.3444 -2.3444 -2.3114 -2.3114 6.9685 6.9685 6.9723 6.9723 7.6718 7.6718 7.6882 7.6882 7.7297 7.7297 7.7480 7.7480 13.5587 13.5587 13.5626 13.5626 14.6381 14.6381 14.6528 14.6528 k = 0.0585 0.1013 0.3154 ( 2344 PWs) bands (ev): -30.8804 -30.8804 -30.8804 -30.8804 -11.9873 -11.9873 -11.9505 -11.9505 -10.6829 -10.6829 -10.6289 -10.6289 -10.4268 -10.4268 -10.4244 -10.4244 -2.3571 -2.3571 -2.3267 -2.3267 6.9858 6.9858 6.9888 6.9888 7.6613 7.6613 7.6777 7.6777 7.7085 7.7085 7.7250 7.7250 13.5317 13.5317 13.5356 13.5356 14.6685 14.6685 14.6826 14.6826 k = 0.0526 0.0912 0.3154 ( 2340 PWs) bands (ev): -30.8812 -30.8812 -30.8812 -30.8812 -11.9823 -11.9823 -11.9488 -11.9488 -10.6758 -10.6758 -10.6269 -10.6269 -10.4225 -10.4225 -10.4206 -10.4206 -2.3687 -2.3687 -2.3410 -2.3410 7.0027 7.0027 7.0050 7.0050 7.6510 7.6510 7.6672 7.6672 7.6893 7.6893 7.7040 7.7040 13.5043 13.5043 13.5083 13.5083 14.6979 14.6979 14.7114 14.7114 k = 0.0468 0.0810 0.3154 ( 2348 PWs) bands (ev): -30.8818 -30.8818 -30.8818 -30.8818 -11.9775 -11.9775 -11.9474 -11.9474 -10.6692 -10.6692 -10.6254 -10.6254 -10.4184 -10.4184 -10.4171 -10.4171 -2.3791 -2.3791 -2.3541 -2.3541 7.0188 7.0188 7.0207 7.0207 7.6411 7.6411 7.6568 7.6568 7.6724 7.6724 7.6850 7.6850 13.4774 13.4774 13.4815 13.4815 14.7259 14.7259 14.7385 14.7385 k = 0.0409 0.0709 0.3154 ( 2348 PWs) bands (ev): -30.8824 -30.8824 -30.8824 -30.8824 -11.9731 -11.9731 -11.9465 -11.9465 -10.6630 -10.6630 -10.6245 -10.6245 -10.4147 -10.4147 -10.4138 -10.4138 -2.3883 -2.3883 -2.3662 -2.3662 7.0339 7.0339 7.0357 7.0357 7.6317 7.6317 7.6465 7.6465 7.6578 7.6578 7.6681 7.6681 13.4520 13.4520 13.4560 13.4560 14.7520 14.7520 14.7637 14.7637 k = 0.0351 0.0608 0.3154 ( 2352 PWs) bands (ev): -30.8829 -30.8829 -30.8829 -30.8829 -11.9689 -11.9689 -11.9460 -11.9460 -10.6572 -10.6572 -10.6241 -10.6241 -10.4114 -10.4114 -10.4108 -10.4108 -2.3961 -2.3961 -2.3770 -2.3770 7.0478 7.0478 7.0496 7.0496 7.6230 7.6230 7.6365 7.6365 7.6456 7.6456 7.6533 7.6533 13.4287 13.4287 13.4324 13.4324 14.7758 14.7758 14.7862 14.7862 k = 0.0292 0.0506 0.3154 ( 2356 PWs) bands (ev): -30.8834 -30.8834 -30.8834 -30.8834 -11.9651 -11.9651 -11.9458 -11.9458 -10.6519 -10.6519 -10.6243 -10.6243 -10.4085 -10.4085 -10.4082 -10.4082 -2.4026 -2.4026 -2.3865 -2.3865 7.0602 7.0602 7.0620 7.0620 7.6152 7.6152 7.6271 7.6271 7.6356 7.6356 7.6407 7.6407 13.4081 13.4081 13.4114 13.4114 14.7966 14.7966 14.8057 14.8057 k = 0.0234 0.0405 0.3154 ( 2364 PWs) bands (ev): -30.8838 -30.8838 -30.8838 -30.8838 -11.9616 -11.9616 -11.9461 -11.9461 -10.6470 -10.6470 -10.6249 -10.6249 -10.4062 -10.4062 -10.4060 -10.4060 -2.4076 -2.4076 -2.3947 -2.3947 7.0709 7.0709 7.0726 7.0726 7.6088 7.6088 7.6188 7.6188 7.6274 7.6274 7.6303 7.6303 13.3907 13.3907 13.3935 13.3935 14.8140 14.8140 14.8215 14.8215 k = 0.0175 0.0304 0.3154 ( 2372 PWs) bands (ev): -30.8840 -30.8840 -30.8840 -30.8840 -11.9585 -11.9585 -11.9468 -11.9468 -10.6426 -10.6426 -10.6260 -10.6260 -10.4043 -10.4043 -10.4042 -10.4042 -2.4112 -2.4112 -2.4014 -2.4014 7.0797 7.0797 7.0811 7.0811 7.6039 7.6039 7.6119 7.6119 7.6208 7.6208 7.6222 7.6222 13.3768 13.3768 13.3790 13.3790 14.8275 14.8275 14.8332 14.8332 k = 0.0117 0.0203 0.3154 ( 2376 PWs) bands (ev): -30.8842 -30.8842 -30.8842 -30.8842 -11.9556 -11.9556 -11.9478 -11.9478 -10.6387 -10.6387 -10.6276 -10.6276 -10.4029 -10.4029 -10.4029 -10.4029 -2.4133 -2.4133 -2.4068 -2.4068 7.0862 7.0862 7.0872 7.0872 7.6007 7.6007 7.6064 7.6064 7.6160 7.6160 7.6164 7.6164 13.3668 13.3668 13.3684 13.3684 14.8368 14.8368 14.8409 14.8409 k = 0.0058 0.0101 0.3154 ( 2380 PWs) bands (ev): -30.8844 -30.8844 -30.8844 -30.8844 -11.9531 -11.9531 -11.9492 -11.9492 -10.6352 -10.6352 -10.6297 -10.6297 -10.4021 -10.4021 -10.4021 -10.4021 -2.4139 -2.4139 -2.4107 -2.4107 7.0903 7.0903 7.0909 7.0909 7.5994 7.5994 7.6024 7.6024 7.6129 7.6129 7.6130 7.6130 13.3609 13.3609 13.3617 13.3617 14.8425 14.8425 14.8446 14.8446 k = 0.0000 0.0000 0.3154 ( 2388 PWs) bands (ev): -30.8844 -30.8844 -30.8844 -30.8844 -11.9510 -11.9510 -11.9510 -11.9510 -10.6322 -10.6322 -10.6322 -10.6322 -10.4019 -10.4019 -10.4019 -10.4019 -2.4131 -2.4131 -2.4131 -2.4131 7.0919 7.0919 7.0919 7.0919 7.6000 7.6000 7.6000 7.6000 7.6119 7.6119 7.6119 7.6119 13.3592 13.3592 13.3592 13.3592 14.8450 14.8450 14.8450 14.8450 k = 0.5000 0.2887 0.3154 ( 2312 PWs) bands (ev): -30.8439 -30.8439 -30.8439 -30.8439 -12.1773 -12.1773 -12.1773 -12.1773 -10.9105 -10.9105 -10.9105 -10.9105 -10.5146 -10.5146 -10.5146 -10.5146 -1.8174 -1.8174 -1.8174 -1.8174 6.7004 6.7004 6.7004 6.7004 8.3914 8.3914 8.3914 8.3914 8.5522 8.5522 8.5522 8.5522 12.9946 12.9946 12.9946 12.9946 14.7759 14.7759 14.7759 14.7759 k = 0.5000 0.2887 0.3037 ( 2312 PWs) bands (ev): -30.8446 -30.8446 -30.8431 -30.8431 -12.1812 -12.1812 -12.1732 -12.1732 -10.9152 -10.9152 -10.9058 -10.9058 -10.5200 -10.5200 -10.5094 -10.5094 -1.8248 -1.8248 -1.8101 -1.8101 6.6969 6.6969 6.7063 6.7063 8.3850 8.3850 8.3983 8.3983 8.5253 8.5253 8.5795 8.5795 12.9597 12.9597 13.0258 13.0258 14.7704 14.7704 14.7766 14.7766 k = 0.5000 0.2887 0.2921 ( 2316 PWs) bands (ev): -30.8453 -30.8453 -30.8425 -30.8425 -12.1850 -12.1850 -12.1689 -12.1689 -10.9199 -10.9199 -10.9010 -10.9010 -10.5257 -10.5257 -10.5046 -10.5046 -1.8325 -1.8325 -1.8031 -1.8031 6.6959 6.6959 6.7147 6.7147 8.3791 8.3791 8.4055 8.4055 8.4991 8.4991 8.6070 8.6070 12.9212 12.9212 13.0534 13.0534 14.7598 14.7598 14.7728 14.7728 k = 0.5000 0.2887 0.2804 ( 2312 PWs) bands (ev): -30.8460 -30.8460 -30.8418 -30.8418 -12.1885 -12.1885 -12.1645 -12.1645 -10.9244 -10.9244 -10.8961 -10.8961 -10.5317 -10.5317 -10.5001 -10.5001 -1.8404 -1.8404 -1.7963 -1.7963 6.6974 6.6974 6.7256 6.7256 8.3735 8.3735 8.4128 8.4128 8.4744 8.4744 8.6347 8.6347 12.8792 12.8792 13.0775 13.0775 14.7431 14.7431 14.7654 14.7654 k = 0.5000 0.2887 0.2687 ( 2312 PWs) bands (ev): -30.8466 -30.8466 -30.8411 -30.8411 -12.1918 -12.1918 -12.1599 -12.1599 -10.9289 -10.9289 -10.8911 -10.8911 -10.5379 -10.5379 -10.4959 -10.4959 -1.8484 -1.8484 -1.7899 -1.7899 6.7012 6.7012 6.7388 6.7388 8.3679 8.3679 8.4181 8.4181 8.4534 8.4534 8.6622 8.6622 12.8340 12.8340 13.0982 13.0982 14.7184 14.7184 14.7559 14.7559 k = 0.5000 0.2887 0.2570 ( 2316 PWs) bands (ev): -30.8473 -30.8473 -30.8404 -30.8404 -12.1950 -12.1950 -12.1552 -12.1552 -10.9333 -10.9333 -10.8862 -10.8862 -10.5443 -10.5443 -10.4921 -10.4921 -1.8565 -1.8565 -1.7838 -1.7838 6.7073 6.7073 6.7543 6.7543 8.3615 8.3615 8.4136 8.4136 8.4449 8.4449 8.6896 8.6896 12.7858 12.7858 13.1157 13.1157 14.6843 14.6843 14.7458 14.7458 k = 0.5000 0.2887 0.2453 ( 2318 PWs) bands (ev): -30.8480 -30.8480 -30.8397 -30.8397 -12.1979 -12.1979 -12.1505 -12.1505 -10.9376 -10.9376 -10.8811 -10.8811 -10.5509 -10.5509 -10.4886 -10.4886 -1.8646 -1.8646 -1.7780 -1.7780 6.7156 6.7156 6.7719 6.7719 8.3527 8.3527 8.3996 8.3996 8.4502 8.4502 8.7167 8.7167 12.7349 12.7349 13.1304 13.1304 14.6404 14.6404 14.7357 14.7357 k = 0.5000 0.2887 0.2336 ( 2322 PWs) bands (ev): -30.8487 -30.8487 -30.8391 -30.8391 -12.2005 -12.2005 -12.1457 -12.1457 -10.9418 -10.9418 -10.8760 -10.8760 -10.5577 -10.5577 -10.4854 -10.4854 -1.8727 -1.8727 -1.7725 -1.7725 6.7258 6.7258 6.7915 6.7915 8.3395 8.3395 8.3879 8.3879 8.4596 8.4596 8.7434 8.7434 12.6818 12.6818 13.1423 13.1423 14.5870 14.5870 14.7260 14.7260 k = 0.5000 0.2887 0.2220 ( 2318 PWs) bands (ev): -30.8493 -30.8493 -30.8384 -30.8384 -12.2030 -12.2030 -12.1408 -12.1408 -10.9460 -10.9460 -10.8709 -10.8709 -10.5646 -10.5646 -10.4826 -10.4826 -1.8808 -1.8808 -1.7674 -1.7674 6.7379 6.7379 6.8129 6.8129 8.3220 8.3220 8.3813 8.3813 8.4704 8.4704 8.7696 8.7696 12.6269 12.6269 13.1520 13.1520 14.5249 14.5249 14.7170 14.7170 k = 0.5000 0.2887 0.2103 ( 2318 PWs) bands (ev): -30.8499 -30.8499 -30.8378 -30.8378 -12.2053 -12.2053 -12.1359 -12.1359 -10.9500 -10.9500 -10.8657 -10.8657 -10.5716 -10.5716 -10.4801 -10.4801 -1.8888 -1.8888 -1.7626 -1.7626 6.7517 6.7517 6.8359 6.8359 8.3020 8.3020 8.3782 8.3782 8.4820 8.4820 8.7952 8.7952 12.5708 12.5708 13.1594 13.1594 14.4552 14.4552 14.7085 14.7085 k = 0.5000 0.2887 0.1986 ( 2318 PWs) bands (ev): -30.8505 -30.8505 -30.8372 -30.8372 -12.2073 -12.2073 -12.1310 -12.1310 -10.9539 -10.9539 -10.8605 -10.8605 -10.5787 -10.5787 -10.4779 -10.4779 -1.8967 -1.8967 -1.7582 -1.7582 6.7668 6.7668 6.8603 6.8603 8.2814 8.2814 8.3773 8.3773 8.4942 8.4942 8.8200 8.8200 12.5138 12.5138 13.1651 13.1651 14.3793 14.3793 14.7006 14.7006 k = 0.5000 0.2887 0.1869 ( 2316 PWs) bands (ev): -30.8511 -30.8511 -30.8366 -30.8366 -12.2092 -12.2092 -12.1262 -12.1262 -10.9577 -10.9577 -10.8553 -10.8553 -10.5859 -10.5859 -10.4760 -10.4760 -1.9045 -1.9045 -1.7541 -1.7541 6.7832 6.7832 6.8857 6.8857 8.2609 8.2609 8.3778 8.3778 8.5067 8.5067 8.8441 8.8441 12.4565 12.4565 13.1691 13.1691 14.2990 14.2990 14.6932 14.6932 k = 0.5000 0.2887 0.1752 ( 2312 PWs) bands (ev): -30.8516 -30.8516 -30.8361 -30.8361 -12.2108 -12.2108 -12.1214 -12.1214 -10.9614 -10.9614 -10.8500 -10.8500 -10.5930 -10.5930 -10.4744 -10.4744 -1.9120 -1.9120 -1.7503 -1.7503 6.8006 6.8006 6.9119 6.9119 8.2410 8.2410 8.3794 8.3794 8.5196 8.5196 8.8673 8.8673 12.3995 12.3995 13.1717 13.1717 14.2156 14.2156 14.6860 14.6860 k = 0.5000 0.2887 0.1635 ( 2320 PWs) bands (ev): -30.8522 -30.8522 -30.8356 -30.8356 -12.2123 -12.2123 -12.1168 -12.1168 -10.9650 -10.9650 -10.8448 -10.8448 -10.6001 -10.6001 -10.4730 -10.4730 -1.9192 -1.9192 -1.7468 -1.7468 6.8186 6.8186 6.9386 6.9386 8.2219 8.2219 8.3818 8.3818 8.5326 8.5326 8.8894 8.8894 12.3431 12.3431 13.1731 13.1731 14.1306 14.1306 14.6790 14.6790 k = 0.5000 0.2887 0.1519 ( 2318 PWs) bands (ev): -30.8527 -30.8527 -30.8351 -30.8351 -12.2136 -12.2136 -12.1123 -12.1123 -10.9684 -10.9684 -10.8395 -10.8395 -10.6071 -10.6071 -10.4719 -10.4719 -1.9262 -1.9262 -1.7437 -1.7437 6.8371 6.8371 6.9654 6.9654 8.2037 8.2037 8.3849 8.3849 8.5456 8.5456 8.9105 8.9105 12.2881 12.2881 13.1735 13.1735 14.0455 14.0455 14.6719 14.6719 k = 0.5000 0.2887 0.1402 ( 2318 PWs) bands (ev): -30.8531 -30.8531 -30.8346 -30.8346 -12.2148 -12.2148 -12.1080 -12.1080 -10.9716 -10.9716 -10.8343 -10.8343 -10.6141 -10.6141 -10.4710 -10.4710 -1.9328 -1.9328 -1.7409 -1.7409 6.8558 6.8558 6.9921 6.9921 8.1866 8.1866 8.3887 8.3887 8.5586 8.5586 8.9304 8.9304 12.2347 12.2347 13.1730 13.1730 13.9615 13.9615 14.6647 14.6647 k = 0.5000 0.2887 0.1285 ( 2316 PWs) bands (ev): -30.8536 -30.8536 -30.8342 -30.8342 -12.2158 -12.2158 -12.1038 -12.1038 -10.9747 -10.9747 -10.8292 -10.8292 -10.6209 -10.6209 -10.4703 -10.4703 -1.9391 -1.9391 -1.7384 -1.7384 6.8743 6.8743 7.0182 7.0182 8.1706 8.1706 8.3929 8.3929 8.5713 8.5713 8.9491 8.9491 12.1835 12.1835 13.1718 13.1718 13.8800 13.8800 14.6571 14.6571 k = 0.5000 0.2887 0.1168 ( 2306 PWs) bands (ev): -30.8540 -30.8540 -30.8337 -30.8337 -12.2166 -12.2166 -12.0999 -12.0999 -10.9775 -10.9775 -10.8241 -10.8241 -10.6275 -10.6275 -10.4697 -10.4697 -1.9449 -1.9449 -1.7361 -1.7361 6.8924 6.8924 7.0435 7.0435 8.1558 8.1558 8.3975 8.3975 8.5838 8.5838 8.9665 8.9665 12.1350 12.1350 13.1700 13.1700 13.8020 13.8020 14.6490 14.6490 k = 0.5000 0.2887 0.1051 ( 2306 PWs) bands (ev): -30.8543 -30.8543 -30.8334 -30.8334 -12.2173 -12.2173 -12.0963 -12.0963 -10.9802 -10.9802 -10.8191 -10.8191 -10.6338 -10.6338 -10.4693 -10.4693 -1.9503 -1.9503 -1.7341 -1.7341 6.9098 6.9098 7.0676 7.0676 8.1423 8.1423 8.4023 8.4023 8.5956 8.5956 8.9824 8.9824 12.0895 12.0895 13.1677 13.1677 13.7285 13.7285 14.6386 14.6386 k = 0.5000 0.2887 0.0935 ( 2306 PWs) bands (ev): -30.8547 -30.8547 -30.8330 -30.8330 -12.2180 -12.2180 -12.0930 -12.0930 -10.9826 -10.9826 -10.8144 -10.8144 -10.6399 -10.6399 -10.4690 -10.4690 -1.9552 -1.9552 -1.7324 -1.7324 6.9262 6.9262 7.0901 7.0901 8.1300 8.1300 8.4072 8.4072 8.6068 8.6068 8.9969 8.9969 12.0476 12.0476 13.1650 13.1650 13.6606 13.6606 14.6224 14.6224 k = 0.5000 0.2887 0.0818 ( 2310 PWs) bands (ev): -30.8550 -30.8550 -30.8328 -30.8328 -12.2185 -12.2185 -12.0900 -12.0900 -10.9848 -10.9848 -10.8098 -10.8098 -10.6456 -10.6456 -10.4688 -10.4688 -1.9596 -1.9596 -1.7309 -1.7309 6.9414 6.9414 7.1108 7.1108 8.1192 8.1192 8.4121 8.4121 8.6171 8.6171 9.0098 9.0098 12.0095 12.0095 13.1618 13.1618 13.5989 13.5989 14.6054 14.6054 k = 0.5000 0.2887 0.0701 ( 2310 PWs) bands (ev): -30.8552 -30.8552 -30.8325 -30.8325 -12.2189 -12.2189 -12.0873 -12.0873 -10.9867 -10.9867 -10.8056 -10.8056 -10.6508 -10.6508 -10.4687 -10.4687 -1.9635 -1.9635 -1.7296 -1.7296 6.9551 6.9551 7.1293 7.1293 8.1097 8.1097 8.4167 8.4167 8.6265 8.6265 9.0211 9.0211 11.9757 11.9757 13.1584 13.1584 13.5445 13.5445 14.5903 14.5903 k = 0.5000 0.2887 0.0584 ( 2310 PWs) bands (ev): -30.8555 -30.8555 -30.8323 -30.8323 -12.2193 -12.2193 -12.0851 -12.0851 -10.9884 -10.9884 -10.8018 -10.8018 -10.6555 -10.6555 -10.4687 -10.4687 -1.9668 -1.9668 -1.7286 -1.7286 6.9671 6.9671 7.1455 7.1455 8.1016 8.1016 8.4210 8.4210 8.6348 8.6348 9.0308 9.0308 11.9465 11.9465 13.1548 13.1548 13.4978 13.4978 14.5773 14.5773 k = 0.5000 0.2887 0.0467 ( 2310 PWs) bands (ev): -30.8556 -30.8556 -30.8321 -30.8321 -12.2195 -12.2195 -12.0832 -12.0832 -10.9898 -10.9898 -10.7984 -10.7984 -10.6596 -10.6596 -10.4686 -10.4686 -1.9696 -1.9696 -1.7277 -1.7277 6.9772 6.9772 7.1590 7.1590 8.0949 8.0949 8.4247 8.4247 8.6417 8.6417 9.0387 9.0387 11.9222 11.9222 13.1512 13.1512 13.4594 13.4594 14.5666 14.5666 k = 0.5000 0.2887 0.0350 ( 2318 PWs) bands (ev): -30.8558 -30.8558 -30.8320 -30.8320 -12.2197 -12.2197 -12.0817 -12.0817 -10.9908 -10.9908 -10.7956 -10.7956 -10.6629 -10.6629 -10.4686 -10.4686 -1.9717 -1.9717 -1.7271 -1.7271 6.9853 6.9853 7.1697 7.1697 8.0897 8.0897 8.4278 8.4278 8.6473 8.6473 9.0449 9.0449 11.9030 11.9030 13.1478 13.1478 13.4294 13.4294 14.5582 14.5582 k = 0.5000 0.2887 0.0234 ( 2318 PWs) bands (ev): -30.8559 -30.8559 -30.8319 -30.8319 -12.2199 -12.2199 -12.0806 -12.0806 -10.9916 -10.9916 -10.7936 -10.7936 -10.6654 -10.6654 -10.4686 -10.4686 -1.9733 -1.9733 -1.7266 -1.7266 6.9911 6.9911 7.1775 7.1775 8.0860 8.0860 8.4301 8.4301 8.6513 8.6513 9.0494 9.0494 11.8892 11.8892 13.1449 13.1449 13.4082 13.4082 14.5522 14.5522 k = 0.5000 0.2887 0.0117 ( 2318 PWs) bands (ev): -30.8560 -30.8560 -30.8318 -30.8318 -12.2200 -12.2200 -12.0799 -12.0799 -10.9921 -10.9921 -10.7923 -10.7923 -10.6669 -10.6669 -10.4687 -10.4687 -1.9742 -1.9742 -1.7264 -1.7264 6.9947 6.9947 7.1822 7.1822 8.0837 8.0837 8.4315 8.4315 8.6538 8.6538 9.0521 9.0521 11.8808 11.8808 13.1430 13.1430 13.3955 13.3955 14.5486 14.5486 k = 0.5000 0.2887-0.0000 ( 2324 PWs) bands (ev): -30.8560 -30.8560 -30.8318 -30.8318 -12.2200 -12.2200 -12.0797 -12.0797 -10.9923 -10.9923 -10.7919 -10.7919 -10.6675 -10.6675 -10.4687 -10.4687 -1.9745 -1.9745 -1.7263 -1.7263 6.9958 6.9958 7.1838 7.1838 8.0830 8.0830 8.4320 8.4320 8.6546 8.6546 9.0530 9.0530 11.8780 11.8780 13.1423 13.1423 13.3913 13.3913 14.5474 14.5474 k = 0.3333 0.5774-0.0000 ( 2298 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2968 -12.1407 -12.0790 -12.0790 -11.0195 -11.0195 -10.8582 -10.7366 -10.7366 -10.6341 -10.6023 -10.6023 -1.8745 -1.7310 -1.6878 -1.6878 7.3803 7.3803 7.9887 8.0516 8.0516 8.0752 8.4152 8.4152 8.4233 8.4442 8.4442 8.4475 11.9473 11.9473 12.8054 12.8462 12.8462 12.8597 13.0679 13.0679 k = 0.3333 0.5774 0.0117 ( 2304 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2968 -12.1410 -12.0790 -12.0790 -11.0199 -11.0199 -10.8578 -10.7364 -10.7364 -10.6341 -10.6021 -10.6021 -1.8742 -1.7310 -1.6877 -1.6877 7.3812 7.3812 7.9839 8.0466 8.0466 8.0698 8.4139 8.4139 8.4260 8.4476 8.4476 8.4505 11.9479 11.9479 12.8104 12.8512 12.8512 12.8646 13.0661 13.0661 k = 0.3333 0.5774 0.0234 ( 2304 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2967 -12.1419 -12.0792 -12.0792 -11.0211 -11.0211 -10.8567 -10.7357 -10.7357 -10.6342 -10.6014 -10.6014 -1.8736 -1.7311 -1.6874 -1.6874 7.3838 7.3838 7.9700 8.0320 8.0320 8.0542 8.4104 8.4104 8.4336 8.4565 8.4565 8.4592 11.9494 11.9494 12.8254 12.8660 12.8660 12.8795 13.0610 13.0610 k = 0.3333 0.5774 0.0350 ( 2313 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2967 -12.1433 -12.0794 -12.0794 -11.0229 -11.0229 -10.8548 -10.7346 -10.7346 -10.6344 -10.6003 -10.6003 -1.8725 -1.7312 -1.6871 -1.6871 7.3882 7.3882 7.9481 8.0093 8.0093 8.0300 8.4055 8.4055 8.4452 8.4693 8.4693 8.4720 11.9520 11.9520 12.8502 12.8903 12.8903 12.9042 13.0526 13.0526 k = 0.3333 0.5774 0.0467 ( 2307 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2966 -12.1453 -12.0796 -12.0796 -11.0254 -11.0254 -10.8522 -10.7332 -10.7332 -10.6346 -10.5987 -10.5987 -1.8710 -1.7314 -1.6866 -1.6866 7.3943 7.3943 7.9197 7.9799 7.9799 7.9989 8.3992 8.3992 8.4595 8.4846 8.4846 8.4874 11.9557 11.9557 12.8846 12.9238 12.9238 12.9383 13.0414 13.0414 k = 0.3333 0.5774 0.0584 ( 2307 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2964 -12.1478 -12.0800 -12.0800 -11.0285 -11.0285 -10.8488 -10.7315 -10.7315 -10.6350 -10.5966 -10.5966 -1.8691 -1.7316 -1.6859 -1.6859 7.4021 7.4021 7.8863 7.9454 7.9454 7.9627 8.3916 8.3916 8.4754 8.5009 8.5009 8.5040 11.9604 11.9604 12.9282 12.9643 12.9643 12.9817 13.0293 13.0293 k = 0.3333 0.5774 0.0701 ( 2316 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2962 -12.1508 -12.0804 -12.0804 -11.0321 -11.0321 -10.8448 -10.7296 -10.7296 -10.6354 -10.5941 -10.5941 -1.8669 -1.7318 -1.6851 -1.6851 7.4116 7.4116 7.8489 7.9071 7.9071 7.9226 8.3824 8.3824 8.4918 8.5175 8.5175 8.5209 11.9662 11.9662 12.9805 12.9929 12.9929 13.0337 13.0350 13.0350 k = 0.3333 0.5774 0.0818 ( 2310 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2960 -12.1543 -12.0809 -12.0809 -11.0361 -11.0361 -10.8402 -10.7276 -10.7276 -10.6359 -10.5911 -10.5911 -1.8642 -1.7322 -1.6842 -1.6842 7.4227 7.4227 7.8089 7.8661 7.8661 7.8798 8.3718 8.3718 8.5083 8.5338 8.5338 8.5373 11.9732 11.9732 12.9808 12.9808 13.0411 13.0870 13.0870 13.0941 k = 0.3333 0.5774 0.0935 ( 2310 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2956 -12.1582 -12.0814 -12.0814 -11.0405 -11.0405 -10.8350 -10.7256 -10.7256 -10.6366 -10.5877 -10.5877 -1.8612 -1.7326 -1.6832 -1.6832 7.4355 7.4355 7.7670 7.8233 7.8233 7.8351 8.3597 8.3597 8.5241 8.5494 8.5494 8.5529 11.9812 11.9812 12.9595 12.9595 13.1095 13.1537 13.1537 13.1622 k = 0.3333 0.5774 0.1051 ( 2310 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2952 -12.1625 -12.0820 -12.0820 -11.0450 -11.0450 -10.8292 -10.7236 -10.7236 -10.6374 -10.5840 -10.5840 -1.8578 -1.7331 -1.6821 -1.6821 7.4498 7.4498 7.7240 7.7794 7.7794 7.7893 8.3462 8.3462 8.5391 8.5639 8.5639 8.5673 11.9904 11.9904 12.9350 12.9350 13.1850 13.2286 13.2286 13.2374 k = 0.3333 0.5774 0.1168 ( 2310 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2947 -12.1671 -12.0827 -12.0827 -11.0497 -11.0497 -10.8230 -10.7218 -10.7218 -10.6384 -10.5799 -10.5799 -1.8542 -1.7337 -1.6809 -1.6809 7.4655 7.4655 7.6805 7.7350 7.7350 7.7429 8.3311 8.3311 8.5531 8.5772 8.5772 8.5805 12.0007 12.0007 12.9083 12.9083 13.2669 13.3103 13.3103 13.3190 k = 0.3333 0.5774 0.1285 ( 2310 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2941 -12.1720 -12.0833 -12.0833 -11.0545 -11.0545 -10.8164 -10.7201 -10.7201 -10.6396 -10.5755 -10.5755 -1.8502 -1.7345 -1.6797 -1.6797 7.4827 7.4827 7.6371 7.6908 7.6908 7.6966 8.3147 8.3147 8.5661 8.5894 8.5894 8.5923 12.0121 12.0121 12.8799 12.8799 13.3545 13.3979 13.3979 13.4064 k = 0.3333 0.5774 0.1402 ( 2316 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2934 -12.1772 -12.0840 -12.0840 -11.0593 -11.0593 -10.8093 -10.7185 -10.7185 -10.6409 -10.5709 -10.5709 -1.8460 -1.7354 -1.6784 -1.6784 7.5011 7.5011 7.5944 7.6473 7.6473 7.6509 8.2969 8.2969 8.5778 8.6003 8.6003 8.6029 12.0248 12.0248 12.8500 12.8500 13.4472 13.4905 13.4905 13.4988 k = 0.3333 0.5774 0.1519 ( 2316 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2925 -12.1826 -12.0847 -12.0847 -11.0640 -11.0640 -10.8020 -10.7172 -10.7172 -10.6425 -10.5661 -10.5661 -1.8415 -1.7364 -1.6771 -1.6771 7.5203 7.5203 7.5526 7.6053 7.6053 7.6060 8.2778 8.2778 8.5884 8.6100 8.6100 8.6122 12.0386 12.0386 12.8190 12.8190 13.5440 13.5875 13.5875 13.5954 k = 0.3333 0.5774 0.1635 ( 2316 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2914 -12.1882 -12.0855 -12.0855 -11.0686 -11.0686 -10.7944 -10.7161 -10.7161 -10.6443 -10.5613 -10.5613 -1.8369 -1.7377 -1.6757 -1.6757 7.5123 7.5368 7.5368 7.5625 7.5686 7.5686 8.2574 8.2574 8.5980 8.6187 8.6187 8.6203 12.0536 12.0536 12.7870 12.7870 13.6442 13.6879 13.6879 13.6953 k = 0.3333 0.5774 0.1752 ( 2316 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2902 -12.1939 -12.0862 -12.0862 -11.0730 -11.0730 -10.7866 -10.7151 -10.7151 -10.6464 -10.5565 -10.5565 -1.8321 -1.7390 -1.6744 -1.6744 7.4739 7.5184 7.5184 7.5207 7.5698 7.5698 8.2359 8.2359 8.6065 8.6262 8.6262 8.6274 12.0698 12.0698 12.7543 12.7543 13.7470 13.7908 13.7908 13.7976 k = 0.3333 0.5774 0.1869 ( 2310 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2888 -12.1996 -12.0869 -12.0869 -11.0772 -11.0772 -10.7787 -10.7143 -10.7143 -10.6488 -10.5517 -10.5517 -1.8272 -1.7406 -1.6731 -1.6731 7.4376 7.4809 7.4827 7.4827 7.5914 7.5914 8.2132 8.2132 8.6142 8.6329 8.6329 8.6334 12.0873 12.0873 12.7210 12.7210 13.8513 13.8952 13.8952 13.9013 k = 0.3333 0.5774 0.1986 ( 2310 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2872 -12.2054 -12.0876 -12.0876 -11.0812 -11.0812 -10.7707 -10.7136 -10.7136 -10.6514 -10.5472 -10.5472 -1.8221 -1.7424 -1.6718 -1.6718 7.4036 7.4434 7.4480 7.4480 7.6154 7.6154 8.1894 8.1894 8.6209 8.6385 8.6385 8.6385 12.1059 12.1059 12.6873 12.6873 13.9561 14.0001 14.0001 14.0053 k = 0.3333 0.5774 0.2103 ( 2310 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2854 -12.2112 -12.0882 -12.0882 -11.0848 -11.0848 -10.7627 -10.7131 -10.7131 -10.6544 -10.5428 -10.5428 -1.8170 -1.7445 -1.6706 -1.6706 7.3724 7.4086 7.4155 7.4155 7.6407 7.6407 8.1648 8.1648 8.6268 8.6427 8.6434 8.6434 12.1258 12.1258 12.6533 12.6533 14.0602 14.1042 14.1042 14.1082 k = 0.3333 0.5774 0.2220 ( 2313 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2833 -12.2170 -12.0888 -12.0888 -11.0881 -11.0881 -10.7546 -10.7127 -10.7127 -10.6576 -10.5387 -10.5387 -1.8119 -1.7467 -1.6695 -1.6695 7.3441 7.3765 7.3857 7.3857 7.6668 7.6668 8.1393 8.1393 8.6319 8.6461 8.6476 8.6476 12.1468 12.1468 12.6193 12.6193 14.1623 14.2061 14.2061 14.2087 k = 0.3333 0.5774 0.2336 ( 2307 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2810 -12.2226 -12.0894 -12.0894 -11.0911 -11.0911 -10.7467 -10.7124 -10.7124 -10.6613 -10.5349 -10.5349 -1.8068 -1.7492 -1.6685 -1.6685 7.3189 7.3474 7.3590 7.3590 7.6936 7.6936 8.1131 8.1131 8.6364 8.6489 8.6510 8.6510 12.1690 12.1690 12.5854 12.5854 14.2609 14.3043 14.3043 14.3052 k = 0.3333 0.5774 0.2453 ( 2301 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2784 -12.2282 -12.0899 -12.0899 -11.0937 -11.0937 -10.7389 -10.7122 -10.7122 -10.6652 -10.5316 -10.5316 -1.8017 -1.7519 -1.6676 -1.6676 7.2970 7.3216 7.3354 7.3354 7.7209 7.7209 8.0863 8.0863 8.6403 8.6511 8.6540 8.6540 12.1923 12.1923 12.5517 12.5517 14.3544 14.3956 14.3969 14.3969 k = 0.3333 0.5774 0.2570 ( 2301 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2756 -12.2336 -12.0903 -12.0903 -11.0960 -11.0960 -10.7312 -10.7120 -10.7120 -10.6695 -10.5287 -10.5287 -1.7966 -1.7549 -1.6668 -1.6668 7.2785 7.2992 7.3152 7.3152 7.7486 7.7486 8.0592 8.0592 8.6437 8.6526 8.6563 8.6563 12.2167 12.2167 12.5184 12.5184 14.4405 14.4777 14.4818 14.4818 k = 0.3333 0.5774 0.2687 ( 2298 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2726 -12.2388 -12.0907 -12.0907 -11.0978 -11.0978 -10.7237 -10.7119 -10.7119 -10.6742 -10.5263 -10.5263 -1.7917 -1.7581 -1.6661 -1.6661 7.2636 7.2802 7.2985 7.2985 7.7762 7.7762 8.0320 8.0320 8.6465 8.6537 8.6582 8.6582 12.2421 12.2421 12.4856 12.4856 14.5171 14.5492 14.5565 14.5565 k = 0.3333 0.5774 0.2804 ( 2292 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2692 -12.2438 -12.0910 -12.0910 -11.0993 -11.0993 -10.7165 -10.7118 -10.7118 -10.6792 -10.5243 -10.5243 -1.7868 -1.7616 -1.6655 -1.6655 7.2524 7.2649 7.2854 7.2854 7.8032 7.8032 8.0053 8.0053 8.6489 8.6543 8.6596 8.6596 12.2683 12.2683 12.4535 12.4535 14.5818 14.6074 14.6186 14.6186 k = 0.3333 0.5774 0.2921 ( 2283 PWs) bands (ev): -30.8388 -30.8388 -30.8388 -30.8388 -12.2656 -12.2487 -12.0912 -12.0912 -11.1003 -11.1003 -10.7118 -10.7118 -10.7095 -10.6846 -10.5229 -10.5229 -1.7822 -1.7652 -1.6652 -1.6652 7.2450 7.2534 7.2760 7.2760 7.8285 7.8285 7.9803 7.9803 8.6509 8.6545 8.6606 8.6606 12.2950 12.2950 12.4227 12.4227 14.6319 14.6499 14.6654 14.6654 k = 0.3333 0.5774 0.3037 ( 2277 PWs) bands (ev): -30.8387 -30.8387 -30.8387 -30.8387 -12.2618 -12.2533 -12.0913 -12.0913 -11.1009 -11.1009 -10.7117 -10.7117 -10.7028 -10.6903 -10.5221 -10.5221 -1.7776 -1.7692 -1.6649 -1.6649 7.2414 7.2455 7.2704 7.2704 7.8491 7.8491 7.9598 7.9598 8.6524 8.6542 8.6612 8.6612 12.3208 12.3208 12.3944 12.3944 14.6650 14.6743 14.6945 14.6945 k = 0.3333 0.5774 0.3154 ( 2280 PWs) bands (ev): -30.8387 -30.8387 -30.8387 -30.8387 -12.2576 -12.2576 -12.0913 -12.0913 -11.1011 -11.1011 -10.7117 -10.7117 -10.6964 -10.6964 -10.5218 -10.5218 -1.7733 -1.7733 -1.6648 -1.6648 7.2415 7.2415 7.2685 7.2685 7.8581 7.8581 7.9510 7.9510 8.6535 8.6535 8.6614 8.6614 12.3361 12.3361 12.3782 12.3782 14.6795 14.6795 14.7044 14.7044 Writing output data file YN.save init_run : 3.74s CPU 13.69s WALL ( 1 calls) electrons : 343.81s CPU 350.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.63s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 343.76s CPU 350.15s WALL ( 1 calls) v_of_rho : 0.38s CPU 0.81s WALL ( 1 calls) v_h : 0.04s CPU 0.07s WALL ( 1 calls) v_xc : 0.34s CPU 0.55s WALL ( 1 calls) newd : 0.30s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 360 calls) cegterg : 271.18s CPU 273.92s WALL ( 732 calls) Called by sum_band: Called by *egterg: h_psi : 110.98s CPU 116.92s WALL ( 11375 calls) s_psi : 12.91s CPU 13.64s WALL ( 11375 calls) g_psi : 0.25s CPU 0.31s WALL ( 10283 calls) cdiaghg : 112.86s CPU 111.41s WALL ( 10643 calls) cegterg:over : 25.15s CPU 22.21s WALL ( 10283 calls) cegterg:upda : 2.56s CPU 4.85s WALL ( 10283 calls) cegterg:last : 2.87s CPU 3.53s WALL ( 1823 calls) Called by h_psi: h_psi:vloc : 85.17s CPU 90.58s WALL ( 11375 calls) h_psi:vnl : 25.70s CPU 25.93s WALL ( 11375 calls) add_vuspsi : 6.83s CPU 10.02s WALL ( 11375 calls) General routines calbec : 18.84s CPU 15.81s WALL ( 11375 calls) fft : 0.59s CPU 1.57s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 80.47s CPU 84.94s WALL ( 925460 calls) interpolate : 0.02s CPU 0.07s WALL ( 4 calls) davcio : 0.02s CPU 2.21s WALL ( 720 calls) Parallel routines fft_scatter : 54.96s CPU 59.09s WALL ( 925483 calls) PWSCF : 6m34.27s CPU 8m35.93s WALL This run was terminated on: 11:11:55 23Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=