Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:31:32 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: ./OsN2.save/ 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 15 10 3 403 228 37 Max 16 11 4 408 237 42 Sum 721 499 151 19409 11091 1885 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.7086 a.u. unit-cell volume = 200.4115 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.708617 celldm(2)= 1.000000 celldm(3)= 1.243940 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 1.243940 ) 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 0.803898 ) PseudoPot. # 1 for Os read from file: /home/autes/Pseudo/Os.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 1bcb72221b6b17e70f20dab4cda9aff7 Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1275 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 atomic species valence mass pseudopotential Os 16.00 190.23000 Os( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 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 = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 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 [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 467 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 2) = ( 0.0081967 0.0047324 -0.0000000), wk = 0.0021413 k( 3) = ( 0.0163934 0.0094648 -0.0000000), wk = 0.0021413 k( 4) = ( 0.0245902 0.0141971 -0.0000000), wk = 0.0021413 k( 5) = ( 0.0327869 0.0189295 -0.0000000), wk = 0.0021413 k( 6) = ( 0.0409836 0.0236619 -0.0000000), wk = 0.0021413 k( 7) = ( 0.0491803 0.0283943 -0.0000000), wk = 0.0021413 k( 8) = ( 0.0573770 0.0331267 -0.0000000), wk = 0.0021413 k( 9) = ( 0.0655738 0.0378590 -0.0000000), wk = 0.0021413 k( 10) = ( 0.0737705 0.0425914 -0.0000000), wk = 0.0021413 k( 11) = ( 0.0819672 0.0473238 -0.0000000), wk = 0.0021413 k( 12) = ( 0.0901639 0.0520562 -0.0000000), wk = 0.0021413 k( 13) = ( 0.0983607 0.0567886 -0.0000000), wk = 0.0021413 k( 14) = ( 0.1065574 0.0615209 -0.0000000), wk = 0.0021413 k( 15) = ( 0.1147541 0.0662533 -0.0000000), wk = 0.0021413 k( 16) = ( 0.1229508 0.0709857 -0.0000000), wk = 0.0021413 k( 17) = ( 0.1311475 0.0757181 -0.0000000), wk = 0.0021413 k( 18) = ( 0.1393443 0.0804504 -0.0000000), wk = 0.0021413 k( 19) = ( 0.1475410 0.0851828 -0.0000000), wk = 0.0021413 k( 20) = ( 0.1557377 0.0899152 -0.0000000), wk = 0.0021413 k( 21) = ( 0.1639344 0.0946476 -0.0000000), wk = 0.0021413 k( 22) = ( 0.1721312 0.0993800 -0.0000000), wk = 0.0021413 k( 23) = ( 0.1803279 0.1041123 -0.0000000), wk = 0.0021413 k( 24) = ( 0.1885246 0.1088447 -0.0000000), wk = 0.0021413 k( 25) = ( 0.1967213 0.1135771 -0.0000000), wk = 0.0021413 k( 26) = ( 0.2049180 0.1183095 -0.0000000), wk = 0.0021413 k( 27) = ( 0.2131147 0.1230419 -0.0000000), wk = 0.0021413 k( 28) = ( 0.2213115 0.1277742 -0.0000000), wk = 0.0021413 k( 29) = ( 0.2295082 0.1325066 -0.0000000), wk = 0.0021413 k( 30) = ( 0.2377049 0.1372390 -0.0000000), wk = 0.0021413 k( 31) = ( 0.2459016 0.1419714 -0.0000000), wk = 0.0021413 k( 32) = ( 0.2540984 0.1467038 -0.0000000), wk = 0.0021413 k( 33) = ( 0.2622951 0.1514361 -0.0000000), wk = 0.0021413 k( 34) = ( 0.2704918 0.1561685 -0.0000000), wk = 0.0021413 k( 35) = ( 0.2786885 0.1609009 -0.0000000), wk = 0.0021413 k( 36) = ( 0.2868852 0.1656333 -0.0000000), wk = 0.0021413 k( 37) = ( 0.2950820 0.1703657 -0.0000000), wk = 0.0021413 k( 38) = ( 0.3032787 0.1750980 -0.0000000), wk = 0.0021413 k( 39) = ( 0.3114754 0.1798304 -0.0000000), wk = 0.0021413 k( 40) = ( 0.3196721 0.1845628 -0.0000000), wk = 0.0021413 k( 41) = ( 0.3278688 0.1892952 -0.0000000), wk = 0.0021413 k( 42) = ( 0.3360656 0.1940275 -0.0000000), wk = 0.0021413 k( 43) = ( 0.3442623 0.1987599 -0.0000000), wk = 0.0021413 k( 44) = ( 0.3524590 0.2034923 -0.0000000), wk = 0.0021413 k( 45) = ( 0.3606557 0.2082247 -0.0000000), wk = 0.0021413 k( 46) = ( 0.3688525 0.2129571 -0.0000000), wk = 0.0021413 k( 47) = ( 0.3770492 0.2176894 -0.0000000), wk = 0.0021413 k( 48) = ( 0.3852459 0.2224218 -0.0000000), wk = 0.0021413 k( 49) = ( 0.3934426 0.2271542 -0.0000000), wk = 0.0021413 k( 50) = ( 0.4016393 0.2318866 -0.0000000), wk = 0.0021413 k( 51) = ( 0.4098361 0.2366190 -0.0000000), wk = 0.0021413 k( 52) = ( 0.4180328 0.2413513 -0.0000000), wk = 0.0021413 k( 53) = ( 0.4262295 0.2460837 -0.0000000), wk = 0.0021413 k( 54) = ( 0.4344262 0.2508161 -0.0000000), wk = 0.0021413 k( 55) = ( 0.4426230 0.2555485 -0.0000000), wk = 0.0021413 k( 56) = ( 0.4508197 0.2602809 -0.0000000), wk = 0.0021413 k( 57) = ( 0.4590164 0.2650132 -0.0000000), wk = 0.0021413 k( 58) = ( 0.4672131 0.2697456 -0.0000000), wk = 0.0021413 k( 59) = ( 0.4754098 0.2744780 -0.0000000), wk = 0.0021413 k( 60) = ( 0.4836066 0.2792104 -0.0000000), wk = 0.0021413 k( 61) = ( 0.4918033 0.2839428 -0.0000000), wk = 0.0021413 k( 62) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021413 k( 63) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021413 k( 64) = ( 0.4952381 0.2969230 -0.0000000), wk = 0.0021413 k( 65) = ( 0.4904762 0.3051709 -0.0000000), wk = 0.0021413 k( 66) = ( 0.4857143 0.3134187 -0.0000000), wk = 0.0021413 k( 67) = ( 0.4809524 0.3216666 -0.0000000), wk = 0.0021413 k( 68) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0021413 k( 69) = ( 0.4714286 0.3381623 -0.0000000), wk = 0.0021413 k( 70) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0021413 k( 71) = ( 0.4619048 0.3546580 -0.0000000), wk = 0.0021413 k( 72) = ( 0.4571429 0.3629059 -0.0000000), wk = 0.0021413 k( 73) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0021413 k( 74) = ( 0.4476191 0.3794016 -0.0000000), wk = 0.0021413 k( 75) = ( 0.4428571 0.3876495 -0.0000000), wk = 0.0021413 k( 76) = ( 0.4380952 0.3958973 -0.0000000), wk = 0.0021413 k( 77) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0021413 k( 78) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0021413 k( 79) = ( 0.4238095 0.4206409 -0.0000000), wk = 0.0021413 k( 80) = ( 0.4190476 0.4288888 -0.0000000), wk = 0.0021413 k( 81) = ( 0.4142857 0.4371366 -0.0000000), wk = 0.0021413 k( 82) = ( 0.4095238 0.4453845 -0.0000000), wk = 0.0021413 k( 83) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0021413 k( 84) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0021413 k( 85) = ( 0.3952381 0.4701281 -0.0000000), wk = 0.0021413 k( 86) = ( 0.3904762 0.4783759 -0.0000000), wk = 0.0021413 k( 87) = ( 0.3857143 0.4866238 -0.0000000), wk = 0.0021413 k( 88) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0021413 k( 89) = ( 0.3761905 0.5031195 -0.0000000), wk = 0.0021413 k( 90) = ( 0.3714286 0.5113674 -0.0000000), wk = 0.0021413 k( 91) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0021413 k( 92) = ( 0.3619048 0.5278631 -0.0000000), wk = 0.0021413 k( 93) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0021413 k( 94) = ( 0.3523810 0.5443588 -0.0000000), wk = 0.0021413 k( 95) = ( 0.3476190 0.5526067 -0.0000000), wk = 0.0021413 k( 96) = ( 0.3428571 0.5608545 -0.0000000), wk = 0.0021413 k( 97) = ( 0.3380952 0.5691024 -0.0000000), wk = 0.0021413 k( 98) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021413 k( 99) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021413 k( 100) = ( 0.3285714 0.5691024 -0.0000000), wk = 0.0021413 k( 101) = ( 0.3238095 0.5608545 -0.0000000), wk = 0.0021413 k( 102) = ( 0.3190476 0.5526067 -0.0000000), wk = 0.0021413 k( 103) = ( 0.3142857 0.5443588 -0.0000000), wk = 0.0021413 k( 104) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0021413 k( 105) = ( 0.3047619 0.5278631 -0.0000000), wk = 0.0021413 k( 106) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0021413 k( 107) = ( 0.2952381 0.5113674 -0.0000000), wk = 0.0021413 k( 108) = ( 0.2904762 0.5031195 -0.0000000), wk = 0.0021413 k( 109) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0021413 k( 110) = ( 0.2809524 0.4866238 -0.0000000), wk = 0.0021413 k( 111) = ( 0.2761905 0.4783759 -0.0000000), wk = 0.0021413 k( 112) = ( 0.2714286 0.4701281 -0.0000000), wk = 0.0021413 k( 113) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0021413 k( 114) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0021413 k( 115) = ( 0.2571429 0.4453845 -0.0000000), wk = 0.0021413 k( 116) = ( 0.2523809 0.4371366 -0.0000000), wk = 0.0021413 k( 117) = ( 0.2476191 0.4288888 -0.0000000), wk = 0.0021413 k( 118) = ( 0.2428571 0.4206409 -0.0000000), wk = 0.0021413 k( 119) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0021413 k( 120) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0021413 k( 121) = ( 0.2285714 0.3958973 -0.0000000), wk = 0.0021413 k( 122) = ( 0.2238095 0.3876495 -0.0000000), wk = 0.0021413 k( 123) = ( 0.2190476 0.3794016 -0.0000000), wk = 0.0021413 k( 124) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0021413 k( 125) = ( 0.2095238 0.3629059 -0.0000000), wk = 0.0021413 k( 126) = ( 0.2047619 0.3546580 -0.0000000), wk = 0.0021413 k( 127) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0021413 k( 128) = ( 0.1952381 0.3381623 -0.0000000), wk = 0.0021413 k( 129) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0021413 k( 130) = ( 0.1857143 0.3216666 -0.0000000), wk = 0.0021413 k( 131) = ( 0.1809524 0.3134187 -0.0000000), wk = 0.0021413 k( 132) = ( 0.1761905 0.3051709 -0.0000000), wk = 0.0021413 k( 133) = ( 0.1714286 0.2969230 -0.0000000), wk = 0.0021413 k( 134) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0021413 k( 135) = ( 0.1619048 0.2804273 -0.0000000), wk = 0.0021413 k( 136) = ( 0.1571429 0.2721794 -0.0000000), wk = 0.0021413 k( 137) = ( 0.1523809 0.2639315 -0.0000000), wk = 0.0021413 k( 138) = ( 0.1476191 0.2556837 -0.0000000), wk = 0.0021413 k( 139) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0021413 k( 140) = ( 0.1380952 0.2391880 -0.0000000), wk = 0.0021413 k( 141) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0021413 k( 142) = ( 0.1285714 0.2226922 -0.0000000), wk = 0.0021413 k( 143) = ( 0.1238095 0.2144444 -0.0000000), wk = 0.0021413 k( 144) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0021413 k( 145) = ( 0.1142857 0.1979487 -0.0000000), wk = 0.0021413 k( 146) = ( 0.1095238 0.1897008 -0.0000000), wk = 0.0021413 k( 147) = ( 0.1047619 0.1814529 -0.0000000), wk = 0.0021413 k( 148) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0021413 k( 149) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0021413 k( 150) = ( 0.0904762 0.1567094 -0.0000000), wk = 0.0021413 k( 151) = ( 0.0857143 0.1484615 -0.0000000), wk = 0.0021413 k( 152) = ( 0.0809524 0.1402136 -0.0000000), wk = 0.0021413 k( 153) = ( 0.0761905 0.1319658 -0.0000000), wk = 0.0021413 k( 154) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0021413 k( 155) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0021413 k( 156) = ( 0.0619048 0.1072222 -0.0000000), wk = 0.0021413 k( 157) = ( 0.0571429 0.0989743 -0.0000000), wk = 0.0021413 k( 158) = ( 0.0523810 0.0907265 -0.0000000), wk = 0.0021413 k( 159) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0021413 k( 160) = ( 0.0428571 0.0742307 -0.0000000), wk = 0.0021413 k( 161) = ( 0.0380952 0.0659829 -0.0000000), wk = 0.0021413 k( 162) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0021413 k( 163) = ( 0.0285714 0.0494872 -0.0000000), wk = 0.0021413 k( 164) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0021413 k( 165) = ( 0.0190476 0.0329914 -0.0000000), wk = 0.0021413 k( 166) = ( 0.0142857 0.0247436 -0.0000000), wk = 0.0021413 k( 167) = ( 0.0095238 0.0164957 -0.0000000), wk = 0.0021413 k( 168) = ( 0.0047619 0.0082479 -0.0000000), wk = 0.0021413 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 171) = ( 0.0000000 0.0000000 0.0095702), wk = 0.0021413 k( 172) = ( 0.0000000 0.0000000 0.0191404), wk = 0.0021413 k( 173) = ( 0.0000000 0.0000000 0.0287106), wk = 0.0021413 k( 174) = ( 0.0000000 0.0000000 0.0382808), wk = 0.0021413 k( 175) = ( 0.0000000 0.0000000 0.0478510), wk = 0.0021413 k( 176) = ( 0.0000000 0.0000000 0.0574212), wk = 0.0021413 k( 177) = ( 0.0000000 0.0000000 0.0669915), wk = 0.0021413 k( 178) = ( 0.0000000 0.0000000 0.0765617), wk = 0.0021413 k( 179) = ( 0.0000000 0.0000000 0.0861319), wk = 0.0021413 k( 180) = ( 0.0000000 0.0000000 0.0957021), wk = 0.0021413 k( 181) = ( 0.0000000 0.0000000 0.1052723), wk = 0.0021413 k( 182) = ( 0.0000000 0.0000000 0.1148425), wk = 0.0021413 k( 183) = ( 0.0000000 0.0000000 0.1244127), wk = 0.0021413 k( 184) = ( 0.0000000 0.0000000 0.1339829), wk = 0.0021413 k( 185) = ( 0.0000000 0.0000000 0.1435531), wk = 0.0021413 k( 186) = ( 0.0000000 0.0000000 0.1531233), wk = 0.0021413 k( 187) = ( 0.0000000 0.0000000 0.1626935), wk = 0.0021413 k( 188) = ( 0.0000000 0.0000000 0.1722637), wk = 0.0021413 k( 189) = ( 0.0000000 0.0000000 0.1818340), wk = 0.0021413 k( 190) = ( 0.0000000 0.0000000 0.1914042), wk = 0.0021413 k( 191) = ( 0.0000000 0.0000000 0.2009744), wk = 0.0021413 k( 192) = ( 0.0000000 0.0000000 0.2105446), wk = 0.0021413 k( 193) = ( 0.0000000 0.0000000 0.2201148), wk = 0.0021413 k( 194) = ( 0.0000000 0.0000000 0.2296850), wk = 0.0021413 k( 195) = ( 0.0000000 0.0000000 0.2392552), wk = 0.0021413 k( 196) = ( 0.0000000 0.0000000 0.2488254), wk = 0.0021413 k( 197) = ( 0.0000000 0.0000000 0.2583956), wk = 0.0021413 k( 198) = ( 0.0000000 0.0000000 0.2679658), wk = 0.0021413 k( 199) = ( 0.0000000 0.0000000 0.2775361), wk = 0.0021413 k( 200) = ( 0.0000000 0.0000000 0.2871063), wk = 0.0021413 k( 201) = ( 0.0000000 0.0000000 0.2966765), wk = 0.0021413 k( 202) = ( 0.0000000 0.0000000 0.3062467), wk = 0.0021413 k( 203) = ( 0.0000000 0.0000000 0.3158169), wk = 0.0021413 k( 204) = ( 0.0000000 0.0000000 0.3253871), wk = 0.0021413 k( 205) = ( 0.0000000 0.0000000 0.3349573), wk = 0.0021413 k( 206) = ( 0.0000000 0.0000000 0.3445275), wk = 0.0021413 k( 207) = ( 0.0000000 0.0000000 0.3540977), wk = 0.0021413 k( 208) = ( 0.0000000 0.0000000 0.3636679), wk = 0.0021413 k( 209) = ( 0.0000000 0.0000000 0.3732381), wk = 0.0021413 k( 210) = ( 0.0000000 0.0000000 0.3828083), wk = 0.0021413 k( 211) = ( 0.0000000 0.0000000 0.3923786), wk = 0.0021413 k( 212) = ( 0.0000000 0.0000000 0.4019488), wk = 0.0021413 k( 213) = ( 0.0000000 0.0000000 0.4019488), wk = 0.0021413 k( 214) = ( 0.0081967 0.0047324 0.4019488), wk = 0.0021413 k( 215) = ( 0.0163934 0.0094648 0.4019488), wk = 0.0021413 k( 216) = ( 0.0245902 0.0141971 0.4019488), wk = 0.0021413 k( 217) = ( 0.0327869 0.0189295 0.4019488), wk = 0.0021413 k( 218) = ( 0.0409836 0.0236619 0.4019488), wk = 0.0021413 k( 219) = ( 0.0491803 0.0283943 0.4019488), wk = 0.0021413 k( 220) = ( 0.0573770 0.0331267 0.4019488), wk = 0.0021413 k( 221) = ( 0.0655738 0.0378590 0.4019488), wk = 0.0021413 k( 222) = ( 0.0737705 0.0425914 0.4019488), wk = 0.0021413 k( 223) = ( 0.0819672 0.0473238 0.4019488), wk = 0.0021413 k( 224) = ( 0.0901639 0.0520562 0.4019488), wk = 0.0021413 k( 225) = ( 0.0983607 0.0567886 0.4019488), wk = 0.0021413 k( 226) = ( 0.1065574 0.0615209 0.4019488), wk = 0.0021413 k( 227) = ( 0.1147541 0.0662533 0.4019488), wk = 0.0021413 k( 228) = ( 0.1229508 0.0709857 0.4019488), wk = 0.0021413 k( 229) = ( 0.1311475 0.0757181 0.4019488), wk = 0.0021413 k( 230) = ( 0.1393443 0.0804504 0.4019488), wk = 0.0021413 k( 231) = ( 0.1475410 0.0851828 0.4019488), wk = 0.0021413 k( 232) = ( 0.1557377 0.0899152 0.4019488), wk = 0.0021413 k( 233) = ( 0.1639344 0.0946476 0.4019488), wk = 0.0021413 k( 234) = ( 0.1721312 0.0993800 0.4019488), wk = 0.0021413 k( 235) = ( 0.1803279 0.1041123 0.4019488), wk = 0.0021413 k( 236) = ( 0.1885246 0.1088447 0.4019488), wk = 0.0021413 k( 237) = ( 0.1967213 0.1135771 0.4019488), wk = 0.0021413 k( 238) = ( 0.2049180 0.1183095 0.4019488), wk = 0.0021413 k( 239) = ( 0.2131147 0.1230419 0.4019488), wk = 0.0021413 k( 240) = ( 0.2213115 0.1277742 0.4019488), wk = 0.0021413 k( 241) = ( 0.2295082 0.1325066 0.4019488), wk = 0.0021413 k( 242) = ( 0.2377049 0.1372390 0.4019488), wk = 0.0021413 k( 243) = ( 0.2459016 0.1419714 0.4019488), wk = 0.0021413 k( 244) = ( 0.2540984 0.1467038 0.4019488), wk = 0.0021413 k( 245) = ( 0.2622951 0.1514361 0.4019488), wk = 0.0021413 k( 246) = ( 0.2704918 0.1561685 0.4019488), wk = 0.0021413 k( 247) = ( 0.2786885 0.1609009 0.4019488), wk = 0.0021413 k( 248) = ( 0.2868852 0.1656333 0.4019488), wk = 0.0021413 k( 249) = ( 0.2950820 0.1703657 0.4019488), wk = 0.0021413 k( 250) = ( 0.3032787 0.1750980 0.4019488), wk = 0.0021413 k( 251) = ( 0.3114754 0.1798304 0.4019488), wk = 0.0021413 k( 252) = ( 0.3196721 0.1845628 0.4019488), wk = 0.0021413 k( 253) = ( 0.3278688 0.1892952 0.4019488), wk = 0.0021413 k( 254) = ( 0.3360656 0.1940275 0.4019488), wk = 0.0021413 k( 255) = ( 0.3442623 0.1987599 0.4019488), wk = 0.0021413 k( 256) = ( 0.3524590 0.2034923 0.4019488), wk = 0.0021413 k( 257) = ( 0.3606557 0.2082247 0.4019488), wk = 0.0021413 k( 258) = ( 0.3688525 0.2129571 0.4019488), wk = 0.0021413 k( 259) = ( 0.3770492 0.2176894 0.4019488), wk = 0.0021413 k( 260) = ( 0.3852459 0.2224218 0.4019488), wk = 0.0021413 k( 261) = ( 0.3934426 0.2271542 0.4019488), wk = 0.0021413 k( 262) = ( 0.4016393 0.2318866 0.4019488), wk = 0.0021413 k( 263) = ( 0.4098361 0.2366190 0.4019488), wk = 0.0021413 k( 264) = ( 0.4180328 0.2413513 0.4019488), wk = 0.0021413 k( 265) = ( 0.4262295 0.2460837 0.4019488), wk = 0.0021413 k( 266) = ( 0.4344262 0.2508161 0.4019488), wk = 0.0021413 k( 267) = ( 0.4426230 0.2555485 0.4019488), wk = 0.0021413 k( 268) = ( 0.4508197 0.2602809 0.4019488), wk = 0.0021413 k( 269) = ( 0.4590164 0.2650132 0.4019488), wk = 0.0021413 k( 270) = ( 0.4672131 0.2697456 0.4019488), wk = 0.0021413 k( 271) = ( 0.4754098 0.2744780 0.4019488), wk = 0.0021413 k( 272) = ( 0.4836066 0.2792104 0.4019488), wk = 0.0021413 k( 273) = ( 0.4918033 0.2839428 0.4019488), wk = 0.0021413 k( 274) = ( 0.5000000 0.2886751 0.4019488), wk = 0.0021413 k( 275) = ( 0.5000000 0.2886751 0.4019488), wk = 0.0021413 k( 276) = ( 0.4952381 0.2969230 0.4019488), wk = 0.0021413 k( 277) = ( 0.4904762 0.3051709 0.4019488), wk = 0.0021413 k( 278) = ( 0.4857143 0.3134187 0.4019488), wk = 0.0021413 k( 279) = ( 0.4809524 0.3216666 0.4019488), wk = 0.0021413 k( 280) = ( 0.4761905 0.3299144 0.4019488), wk = 0.0021413 k( 281) = ( 0.4714286 0.3381623 0.4019488), wk = 0.0021413 k( 282) = ( 0.4666667 0.3464102 0.4019488), wk = 0.0021413 k( 283) = ( 0.4619048 0.3546580 0.4019488), wk = 0.0021413 k( 284) = ( 0.4571429 0.3629059 0.4019488), wk = 0.0021413 k( 285) = ( 0.4523810 0.3711537 0.4019488), wk = 0.0021413 k( 286) = ( 0.4476191 0.3794016 0.4019488), wk = 0.0021413 k( 287) = ( 0.4428571 0.3876495 0.4019488), wk = 0.0021413 k( 288) = ( 0.4380952 0.3958973 0.4019488), wk = 0.0021413 k( 289) = ( 0.4333333 0.4041452 0.4019488), wk = 0.0021413 k( 290) = ( 0.4285714 0.4123930 0.4019488), wk = 0.0021413 k( 291) = ( 0.4238095 0.4206409 0.4019488), wk = 0.0021413 k( 292) = ( 0.4190476 0.4288888 0.4019488), wk = 0.0021413 k( 293) = ( 0.4142857 0.4371366 0.4019488), wk = 0.0021413 k( 294) = ( 0.4095238 0.4453845 0.4019488), wk = 0.0021413 k( 295) = ( 0.4047619 0.4536324 0.4019488), wk = 0.0021413 k( 296) = ( 0.4000000 0.4618802 0.4019488), wk = 0.0021413 k( 297) = ( 0.3952381 0.4701281 0.4019488), wk = 0.0021413 k( 298) = ( 0.3904762 0.4783759 0.4019488), wk = 0.0021413 k( 299) = ( 0.3857143 0.4866238 0.4019488), wk = 0.0021413 k( 300) = ( 0.3809524 0.4948717 0.4019488), wk = 0.0021413 k( 301) = ( 0.3761905 0.5031195 0.4019488), wk = 0.0021413 k( 302) = ( 0.3714286 0.5113674 0.4019488), wk = 0.0021413 k( 303) = ( 0.3666667 0.5196152 0.4019488), wk = 0.0021413 k( 304) = ( 0.3619048 0.5278631 0.4019488), wk = 0.0021413 k( 305) = ( 0.3571429 0.5361110 0.4019488), wk = 0.0021413 k( 306) = ( 0.3523810 0.5443588 0.4019488), wk = 0.0021413 k( 307) = ( 0.3476190 0.5526067 0.4019488), wk = 0.0021413 k( 308) = ( 0.3428571 0.5608545 0.4019488), wk = 0.0021413 k( 309) = ( 0.3380952 0.5691024 0.4019488), wk = 0.0021413 k( 310) = ( 0.3333333 0.5773503 0.4019488), wk = 0.0021413 k( 311) = ( 0.3333333 0.5773503 0.4019488), wk = 0.0021413 k( 312) = ( 0.3285714 0.5691024 0.4019488), wk = 0.0021413 k( 313) = ( 0.3238095 0.5608545 0.4019488), wk = 0.0021413 k( 314) = ( 0.3190476 0.5526067 0.4019488), wk = 0.0021413 k( 315) = ( 0.3142857 0.5443588 0.4019488), wk = 0.0021413 k( 316) = ( 0.3095238 0.5361110 0.4019488), wk = 0.0021413 k( 317) = ( 0.3047619 0.5278631 0.4019488), wk = 0.0021413 k( 318) = ( 0.3000000 0.5196152 0.4019488), wk = 0.0021413 k( 319) = ( 0.2952381 0.5113674 0.4019488), wk = 0.0021413 k( 320) = ( 0.2904762 0.5031195 0.4019488), wk = 0.0021413 k( 321) = ( 0.2857143 0.4948717 0.4019488), wk = 0.0021413 k( 322) = ( 0.2809524 0.4866238 0.4019488), wk = 0.0021413 k( 323) = ( 0.2761905 0.4783759 0.4019488), wk = 0.0021413 k( 324) = ( 0.2714286 0.4701281 0.4019488), wk = 0.0021413 k( 325) = ( 0.2666667 0.4618802 0.4019488), wk = 0.0021413 k( 326) = ( 0.2619048 0.4536324 0.4019488), wk = 0.0021413 k( 327) = ( 0.2571429 0.4453845 0.4019488), wk = 0.0021413 k( 328) = ( 0.2523809 0.4371366 0.4019488), wk = 0.0021413 k( 329) = ( 0.2476191 0.4288888 0.4019488), wk = 0.0021413 k( 330) = ( 0.2428571 0.4206409 0.4019488), wk = 0.0021413 k( 331) = ( 0.2380952 0.4123931 0.4019488), wk = 0.0021413 k( 332) = ( 0.2333333 0.4041452 0.4019488), wk = 0.0021413 k( 333) = ( 0.2285714 0.3958973 0.4019488), wk = 0.0021413 k( 334) = ( 0.2238095 0.3876495 0.4019488), wk = 0.0021413 k( 335) = ( 0.2190476 0.3794016 0.4019488), wk = 0.0021413 k( 336) = ( 0.2142857 0.3711537 0.4019488), wk = 0.0021413 k( 337) = ( 0.2095238 0.3629059 0.4019488), wk = 0.0021413 k( 338) = ( 0.2047619 0.3546580 0.4019488), wk = 0.0021413 k( 339) = ( 0.2000000 0.3464102 0.4019488), wk = 0.0021413 k( 340) = ( 0.1952381 0.3381623 0.4019488), wk = 0.0021413 k( 341) = ( 0.1904762 0.3299144 0.4019488), wk = 0.0021413 k( 342) = ( 0.1857143 0.3216666 0.4019488), wk = 0.0021413 k( 343) = ( 0.1809524 0.3134187 0.4019488), wk = 0.0021413 k( 344) = ( 0.1761905 0.3051709 0.4019488), wk = 0.0021413 k( 345) = ( 0.1714286 0.2969230 0.4019488), wk = 0.0021413 k( 346) = ( 0.1666667 0.2886751 0.4019488), wk = 0.0021413 k( 347) = ( 0.1619048 0.2804273 0.4019488), wk = 0.0021413 k( 348) = ( 0.1571429 0.2721794 0.4019488), wk = 0.0021413 k( 349) = ( 0.1523809 0.2639315 0.4019488), wk = 0.0021413 k( 350) = ( 0.1476191 0.2556837 0.4019488), wk = 0.0021413 k( 351) = ( 0.1428571 0.2474358 0.4019488), wk = 0.0021413 k( 352) = ( 0.1380952 0.2391880 0.4019488), wk = 0.0021413 k( 353) = ( 0.1333333 0.2309401 0.4019488), wk = 0.0021413 k( 354) = ( 0.1285714 0.2226922 0.4019488), wk = 0.0021413 k( 355) = ( 0.1238095 0.2144444 0.4019488), wk = 0.0021413 k( 356) = ( 0.1190476 0.2061965 0.4019488), wk = 0.0021413 k( 357) = ( 0.1142857 0.1979487 0.4019488), wk = 0.0021413 k( 358) = ( 0.1095238 0.1897008 0.4019488), wk = 0.0021413 k( 359) = ( 0.1047619 0.1814529 0.4019488), wk = 0.0021413 k( 360) = ( 0.1000000 0.1732051 0.4019488), wk = 0.0021413 k( 361) = ( 0.0952381 0.1649572 0.4019488), wk = 0.0021413 k( 362) = ( 0.0904762 0.1567094 0.4019488), wk = 0.0021413 k( 363) = ( 0.0857143 0.1484615 0.4019488), wk = 0.0021413 k( 364) = ( 0.0809524 0.1402136 0.4019488), wk = 0.0021413 k( 365) = ( 0.0761905 0.1319658 0.4019488), wk = 0.0021413 k( 366) = ( 0.0714286 0.1237179 0.4019488), wk = 0.0021413 k( 367) = ( 0.0666667 0.1154701 0.4019488), wk = 0.0021413 k( 368) = ( 0.0619048 0.1072222 0.4019488), wk = 0.0021413 k( 369) = ( 0.0571429 0.0989743 0.4019488), wk = 0.0021413 k( 370) = ( 0.0523810 0.0907265 0.4019488), wk = 0.0021413 k( 371) = ( 0.0476191 0.0824786 0.4019488), wk = 0.0021413 k( 372) = ( 0.0428571 0.0742307 0.4019488), wk = 0.0021413 k( 373) = ( 0.0380952 0.0659829 0.4019488), wk = 0.0021413 k( 374) = ( 0.0333333 0.0577350 0.4019488), wk = 0.0021413 k( 375) = ( 0.0285714 0.0494872 0.4019488), wk = 0.0021413 k( 376) = ( 0.0238095 0.0412393 0.4019488), wk = 0.0021413 k( 377) = ( 0.0190476 0.0329914 0.4019488), wk = 0.0021413 k( 378) = ( 0.0142857 0.0247436 0.4019488), wk = 0.0021413 k( 379) = ( 0.0095238 0.0164957 0.4019488), wk = 0.0021413 k( 380) = ( 0.0047619 0.0082479 0.4019488), wk = 0.0021413 k( 381) = ( 0.0000000 0.0000000 0.4019488), wk = 0.0021413 k( 382) = ( 0.5000000 0.2886751 0.4019488), wk = 0.0021413 k( 383) = ( 0.5000000 0.2886751 0.3923786), wk = 0.0021413 k( 384) = ( 0.5000000 0.2886751 0.3828083), wk = 0.0021413 k( 385) = ( 0.5000000 0.2886751 0.3732381), wk = 0.0021413 k( 386) = ( 0.5000000 0.2886751 0.3636679), wk = 0.0021413 k( 387) = ( 0.5000000 0.2886751 0.3540977), wk = 0.0021413 k( 388) = ( 0.5000000 0.2886751 0.3445275), wk = 0.0021413 k( 389) = ( 0.5000000 0.2886751 0.3349573), wk = 0.0021413 k( 390) = ( 0.5000000 0.2886751 0.3253871), wk = 0.0021413 k( 391) = ( 0.5000000 0.2886751 0.3158169), wk = 0.0021413 k( 392) = ( 0.5000000 0.2886751 0.3062467), wk = 0.0021413 k( 393) = ( 0.5000000 0.2886751 0.2966765), wk = 0.0021413 k( 394) = ( 0.5000000 0.2886751 0.2871063), wk = 0.0021413 k( 395) = ( 0.5000000 0.2886751 0.2775361), wk = 0.0021413 k( 396) = ( 0.5000000 0.2886751 0.2679658), wk = 0.0021413 k( 397) = ( 0.5000000 0.2886751 0.2583956), wk = 0.0021413 k( 398) = ( 0.5000000 0.2886751 0.2488254), wk = 0.0021413 k( 399) = ( 0.5000000 0.2886751 0.2392552), wk = 0.0021413 k( 400) = ( 0.5000000 0.2886751 0.2296850), wk = 0.0021413 k( 401) = ( 0.5000000 0.2886751 0.2201148), wk = 0.0021413 k( 402) = ( 0.5000000 0.2886751 0.2105446), wk = 0.0021413 k( 403) = ( 0.5000000 0.2886751 0.2009744), wk = 0.0021413 k( 404) = ( 0.5000000 0.2886751 0.1914042), wk = 0.0021413 k( 405) = ( 0.5000000 0.2886751 0.1818340), wk = 0.0021413 k( 406) = ( 0.5000000 0.2886751 0.1722637), wk = 0.0021413 k( 407) = ( 0.5000000 0.2886751 0.1626935), wk = 0.0021413 k( 408) = ( 0.5000000 0.2886751 0.1531233), wk = 0.0021413 k( 409) = ( 0.5000000 0.2886751 0.1435531), wk = 0.0021413 k( 410) = ( 0.5000000 0.2886751 0.1339829), wk = 0.0021413 k( 411) = ( 0.5000000 0.2886751 0.1244127), wk = 0.0021413 k( 412) = ( 0.5000000 0.2886751 0.1148425), wk = 0.0021413 k( 413) = ( 0.5000000 0.2886751 0.1052723), wk = 0.0021413 k( 414) = ( 0.5000000 0.2886751 0.0957021), wk = 0.0021413 k( 415) = ( 0.5000000 0.2886751 0.0861319), wk = 0.0021413 k( 416) = ( 0.5000000 0.2886751 0.0765617), wk = 0.0021413 k( 417) = ( 0.5000000 0.2886751 0.0669915), wk = 0.0021413 k( 418) = ( 0.5000000 0.2886751 0.0574212), wk = 0.0021413 k( 419) = ( 0.5000000 0.2886751 0.0478510), wk = 0.0021413 k( 420) = ( 0.5000000 0.2886751 0.0382808), wk = 0.0021413 k( 421) = ( 0.5000000 0.2886751 0.0287106), wk = 0.0021413 k( 422) = ( 0.5000000 0.2886751 0.0191404), wk = 0.0021413 k( 423) = ( 0.5000000 0.2886751 0.0095702), wk = 0.0021413 k( 424) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021413 k( 425) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021413 k( 426) = ( 0.3333333 0.5773503 0.0095702), wk = 0.0021413 k( 427) = ( 0.3333333 0.5773503 0.0191404), wk = 0.0021413 k( 428) = ( 0.3333333 0.5773503 0.0287106), wk = 0.0021413 k( 429) = ( 0.3333333 0.5773503 0.0382808), wk = 0.0021413 k( 430) = ( 0.3333333 0.5773503 0.0478510), wk = 0.0021413 k( 431) = ( 0.3333333 0.5773503 0.0574212), wk = 0.0021413 k( 432) = ( 0.3333333 0.5773503 0.0669915), wk = 0.0021413 k( 433) = ( 0.3333333 0.5773503 0.0765617), wk = 0.0021413 k( 434) = ( 0.3333333 0.5773503 0.0861319), wk = 0.0021413 k( 435) = ( 0.3333333 0.5773503 0.0957021), wk = 0.0021413 k( 436) = ( 0.3333333 0.5773503 0.1052723), wk = 0.0021413 k( 437) = ( 0.3333333 0.5773503 0.1148425), wk = 0.0021413 k( 438) = ( 0.3333333 0.5773503 0.1244127), wk = 0.0021413 k( 439) = ( 0.3333333 0.5773503 0.1339829), wk = 0.0021413 k( 440) = ( 0.3333333 0.5773503 0.1435531), wk = 0.0021413 k( 441) = ( 0.3333333 0.5773503 0.1531233), wk = 0.0021413 k( 442) = ( 0.3333333 0.5773503 0.1626935), wk = 0.0021413 k( 443) = ( 0.3333333 0.5773503 0.1722637), wk = 0.0021413 k( 444) = ( 0.3333333 0.5773503 0.1818340), wk = 0.0021413 k( 445) = ( 0.3333333 0.5773503 0.1914042), wk = 0.0021413 k( 446) = ( 0.3333333 0.5773503 0.2009744), wk = 0.0021413 k( 447) = ( 0.3333333 0.5773503 0.2105446), wk = 0.0021413 k( 448) = ( 0.3333333 0.5773503 0.2201148), wk = 0.0021413 k( 449) = ( 0.3333333 0.5773503 0.2296850), wk = 0.0021413 k( 450) = ( 0.3333333 0.5773503 0.2392552), wk = 0.0021413 k( 451) = ( 0.3333333 0.5773503 0.2488254), wk = 0.0021413 k( 452) = ( 0.3333333 0.5773503 0.2583956), wk = 0.0021413 k( 453) = ( 0.3333333 0.5773503 0.2679658), wk = 0.0021413 k( 454) = ( 0.3333333 0.5773503 0.2775361), wk = 0.0021413 k( 455) = ( 0.3333333 0.5773503 0.2871063), wk = 0.0021413 k( 456) = ( 0.3333333 0.5773503 0.2966765), wk = 0.0021413 k( 457) = ( 0.3333333 0.5773503 0.3062467), wk = 0.0021413 k( 458) = ( 0.3333333 0.5773503 0.3158169), wk = 0.0021413 k( 459) = ( 0.3333333 0.5773503 0.3253871), wk = 0.0021413 k( 460) = ( 0.3333333 0.5773503 0.3349573), wk = 0.0021413 k( 461) = ( 0.3333333 0.5773503 0.3445275), wk = 0.0021413 k( 462) = ( 0.3333333 0.5773503 0.3540977), wk = 0.0021413 k( 463) = ( 0.3333333 0.5773503 0.3636679), wk = 0.0021413 k( 464) = ( 0.3333333 0.5773503 0.3732381), wk = 0.0021413 k( 465) = ( 0.3333333 0.5773503 0.3828083), wk = 0.0021413 k( 466) = ( 0.3333333 0.5773503 0.3923786), wk = 0.0021413 k( 467) = ( 0.3333333 0.5773503 0.4019488), wk = 0.0021413 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 2) = ( 0.0081967 0.0000000 0.0000000), wk = 0.0021413 k( 3) = ( 0.0163934 0.0000000 0.0000000), wk = 0.0021413 k( 4) = ( 0.0245902 0.0000000 0.0000000), wk = 0.0021413 k( 5) = ( 0.0327869 0.0000000 0.0000000), wk = 0.0021413 k( 6) = ( 0.0409836 0.0000000 0.0000000), wk = 0.0021413 k( 7) = ( 0.0491803 0.0000000 0.0000000), wk = 0.0021413 k( 8) = ( 0.0573770 0.0000000 0.0000000), wk = 0.0021413 k( 9) = ( 0.0655738 0.0000000 0.0000000), wk = 0.0021413 k( 10) = ( 0.0737705 -0.0000000 0.0000000), wk = 0.0021413 k( 11) = ( 0.0819672 0.0000000 -0.0000000), wk = 0.0021413 k( 12) = ( 0.0901639 0.0000000 0.0000000), wk = 0.0021413 k( 13) = ( 0.0983607 0.0000000 0.0000000), wk = 0.0021413 k( 14) = ( 0.1065574 -0.0000000 0.0000000), wk = 0.0021413 k( 15) = ( 0.1147541 0.0000000 0.0000000), wk = 0.0021413 k( 16) = ( 0.1229508 0.0000000 0.0000000), wk = 0.0021413 k( 17) = ( 0.1311475 0.0000000 0.0000000), wk = 0.0021413 k( 18) = ( 0.1393443 0.0000000 0.0000000), wk = 0.0021413 k( 19) = ( 0.1475410 -0.0000000 0.0000000), wk = 0.0021413 k( 20) = ( 0.1557377 -0.0000000 0.0000000), wk = 0.0021413 k( 21) = ( 0.1639344 0.0000000 0.0000000), wk = 0.0021413 k( 22) = ( 0.1721312 0.0000000 0.0000000), wk = 0.0021413 k( 23) = ( 0.1803279 0.0000000 0.0000000), wk = 0.0021413 k( 24) = ( 0.1885246 0.0000000 0.0000000), wk = 0.0021413 k( 25) = ( 0.1967213 0.0000000 0.0000000), wk = 0.0021413 k( 26) = ( 0.2049180 -0.0000000 0.0000000), wk = 0.0021413 k( 27) = ( 0.2131147 -0.0000000 0.0000000), wk = 0.0021413 k( 28) = ( 0.2213115 0.0000000 0.0000000), wk = 0.0021413 k( 29) = ( 0.2295082 0.0000000 0.0000000), wk = 0.0021413 k( 30) = ( 0.2377049 0.0000000 0.0000000), wk = 0.0021413 k( 31) = ( 0.2459016 0.0000000 0.0000000), wk = 0.0021413 k( 32) = ( 0.2540984 0.0000000 0.0000000), wk = 0.0021413 k( 33) = ( 0.2622951 0.0000000 0.0000000), wk = 0.0021413 k( 34) = ( 0.2704918 0.0000000 0.0000000), wk = 0.0021413 k( 35) = ( 0.2786885 0.0000000 0.0000000), wk = 0.0021413 k( 36) = ( 0.2868852 0.0000000 0.0000000), wk = 0.0021413 k( 37) = ( 0.2950820 0.0000000 0.0000000), wk = 0.0021413 k( 38) = ( 0.3032787 -0.0000000 0.0000000), wk = 0.0021413 k( 39) = ( 0.3114754 0.0000000 0.0000000), wk = 0.0021413 k( 40) = ( 0.3196721 0.0000000 -0.0000000), wk = 0.0021413 k( 41) = ( 0.3278688 0.0000000 0.0000000), wk = 0.0021413 k( 42) = ( 0.3360656 0.0000000 -0.0000000), wk = 0.0021413 k( 43) = ( 0.3442623 0.0000000 0.0000000), wk = 0.0021413 k( 44) = ( 0.3524590 0.0000000 0.0000000), wk = 0.0021413 k( 45) = ( 0.3606557 0.0000000 0.0000000), wk = 0.0021413 k( 46) = ( 0.3688525 0.0000000 0.0000000), wk = 0.0021413 k( 47) = ( 0.3770492 0.0000000 0.0000000), wk = 0.0021413 k( 48) = ( 0.3852459 0.0000000 0.0000000), wk = 0.0021413 k( 49) = ( 0.3934426 0.0000000 0.0000000), wk = 0.0021413 k( 50) = ( 0.4016393 0.0000000 0.0000000), wk = 0.0021413 k( 51) = ( 0.4098361 0.0000000 0.0000000), wk = 0.0021413 k( 52) = ( 0.4180328 -0.0000000 0.0000000), wk = 0.0021413 k( 53) = ( 0.4262295 0.0000000 0.0000000), wk = 0.0021413 k( 54) = ( 0.4344262 -0.0000000 0.0000000), wk = 0.0021413 k( 55) = ( 0.4426230 0.0000000 -0.0000000), wk = 0.0021413 k( 56) = ( 0.4508197 0.0000000 -0.0000000), wk = 0.0021413 k( 57) = ( 0.4590164 0.0000000 -0.0000000), wk = 0.0021413 k( 58) = ( 0.4672131 0.0000000 0.0000000), wk = 0.0021413 k( 59) = ( 0.4754098 0.0000000 0.0000000), wk = 0.0021413 k( 60) = ( 0.4836066 0.0000000 0.0000000), wk = 0.0021413 k( 61) = ( 0.4918033 0.0000000 0.0000000), wk = 0.0021413 k( 62) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021413 k( 63) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021413 k( 64) = ( 0.4952381 0.0095238 0.0000000), wk = 0.0021413 k( 65) = ( 0.4904762 0.0190476 0.0000000), wk = 0.0021413 k( 66) = ( 0.4857143 0.0285714 0.0000000), wk = 0.0021413 k( 67) = ( 0.4809524 0.0380952 0.0000000), wk = 0.0021413 k( 68) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0021413 k( 69) = ( 0.4714286 0.0571429 -0.0000000), wk = 0.0021413 k( 70) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0021413 k( 71) = ( 0.4619048 0.0761905 0.0000000), wk = 0.0021413 k( 72) = ( 0.4571429 0.0857143 0.0000000), wk = 0.0021413 k( 73) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0021413 k( 74) = ( 0.4476191 0.1047619 0.0000000), wk = 0.0021413 k( 75) = ( 0.4428571 0.1142857 0.0000000), wk = 0.0021413 k( 76) = ( 0.4380952 0.1238095 0.0000000), wk = 0.0021413 k( 77) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0021413 k( 78) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0021413 k( 79) = ( 0.4238095 0.1523809 0.0000000), wk = 0.0021413 k( 80) = ( 0.4190476 0.1619048 -0.0000000), wk = 0.0021413 k( 81) = ( 0.4142857 0.1714286 0.0000000), wk = 0.0021413 k( 82) = ( 0.4095238 0.1809524 0.0000000), wk = 0.0021413 k( 83) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0021413 k( 84) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0021413 k( 85) = ( 0.3952381 0.2095238 0.0000000), wk = 0.0021413 k( 86) = ( 0.3904762 0.2190476 0.0000000), wk = 0.0021413 k( 87) = ( 0.3857143 0.2285714 0.0000000), wk = 0.0021413 k( 88) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0021413 k( 89) = ( 0.3761905 0.2476190 0.0000000), wk = 0.0021413 k( 90) = ( 0.3714286 0.2571429 0.0000000), wk = 0.0021413 k( 91) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0021413 k( 92) = ( 0.3619048 0.2761905 0.0000000), wk = 0.0021413 k( 93) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0021413 k( 94) = ( 0.3523810 0.2952381 0.0000000), wk = 0.0021413 k( 95) = ( 0.3476190 0.3047619 0.0000000), wk = 0.0021413 k( 96) = ( 0.3428571 0.3142857 0.0000000), wk = 0.0021413 k( 97) = ( 0.3380952 0.3238095 0.0000000), wk = 0.0021413 k( 98) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021413 k( 99) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021413 k( 100) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0021413 k( 101) = ( 0.3238095 0.3238095 0.0000000), wk = 0.0021413 k( 102) = ( 0.3190476 0.3190476 0.0000000), wk = 0.0021413 k( 103) = ( 0.3142857 0.3142857 0.0000000), wk = 0.0021413 k( 104) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0021413 k( 105) = ( 0.3047619 0.3047619 0.0000000), wk = 0.0021413 k( 106) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0021413 k( 107) = ( 0.2952381 0.2952381 0.0000000), wk = 0.0021413 k( 108) = ( 0.2904762 0.2904762 0.0000000), wk = 0.0021413 k( 109) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0021413 k( 110) = ( 0.2809524 0.2809524 0.0000000), wk = 0.0021413 k( 111) = ( 0.2761905 0.2761905 0.0000000), wk = 0.0021413 k( 112) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0021413 k( 113) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0021413 k( 114) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0021413 k( 115) = ( 0.2571429 0.2571429 0.0000000), wk = 0.0021413 k( 116) = ( 0.2523809 0.2523809 0.0000000), wk = 0.0021413 k( 117) = ( 0.2476191 0.2476190 0.0000000), wk = 0.0021413 k( 118) = ( 0.2428571 0.2428571 0.0000000), wk = 0.0021413 k( 119) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0021413 k( 120) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0021413 k( 121) = ( 0.2285714 0.2285714 -0.0000000), wk = 0.0021413 k( 122) = ( 0.2238095 0.2238095 0.0000000), wk = 0.0021413 k( 123) = ( 0.2190476 0.2190476 0.0000000), wk = 0.0021413 k( 124) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0021413 k( 125) = ( 0.2095238 0.2095238 0.0000000), wk = 0.0021413 k( 126) = ( 0.2047619 0.2047619 0.0000000), wk = 0.0021413 k( 127) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0021413 k( 128) = ( 0.1952381 0.1952381 0.0000000), wk = 0.0021413 k( 129) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0021413 k( 130) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0021413 k( 131) = ( 0.1809524 0.1809524 0.0000000), wk = 0.0021413 k( 132) = ( 0.1761905 0.1761905 -0.0000000), wk = 0.0021413 k( 133) = ( 0.1714286 0.1714286 0.0000000), wk = 0.0021413 k( 134) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0021413 k( 135) = ( 0.1619048 0.1619048 0.0000000), wk = 0.0021413 k( 136) = ( 0.1571429 0.1571429 0.0000000), wk = 0.0021413 k( 137) = ( 0.1523809 0.1523809 0.0000000), wk = 0.0021413 k( 138) = ( 0.1476191 0.1476190 0.0000000), wk = 0.0021413 k( 139) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0021413 k( 140) = ( 0.1380952 0.1380952 0.0000000), wk = 0.0021413 k( 141) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0021413 k( 142) = ( 0.1285714 0.1285714 0.0000000), wk = 0.0021413 k( 143) = ( 0.1238095 0.1238095 0.0000000), wk = 0.0021413 k( 144) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0021413 k( 145) = ( 0.1142857 0.1142857 0.0000000), wk = 0.0021413 k( 146) = ( 0.1095238 0.1095238 0.0000000), wk = 0.0021413 k( 147) = ( 0.1047619 0.1047619 0.0000000), wk = 0.0021413 k( 148) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0021413 k( 149) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0021413 k( 150) = ( 0.0904762 0.0904762 0.0000000), wk = 0.0021413 k( 151) = ( 0.0857143 0.0857143 0.0000000), wk = 0.0021413 k( 152) = ( 0.0809524 0.0809524 0.0000000), wk = 0.0021413 k( 153) = ( 0.0761905 0.0761905 0.0000000), wk = 0.0021413 k( 154) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0021413 k( 155) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0021413 k( 156) = ( 0.0619048 0.0619048 0.0000000), wk = 0.0021413 k( 157) = ( 0.0571429 0.0571429 0.0000000), wk = 0.0021413 k( 158) = ( 0.0523810 0.0523809 0.0000000), wk = 0.0021413 k( 159) = ( 0.0476191 0.0476190 0.0000000), wk = 0.0021413 k( 160) = ( 0.0428571 0.0428571 0.0000000), wk = 0.0021413 k( 161) = ( 0.0380952 0.0380952 0.0000000), wk = 0.0021413 k( 162) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0021413 k( 163) = ( 0.0285714 0.0285714 0.0000000), wk = 0.0021413 k( 164) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0021413 k( 165) = ( 0.0190476 0.0190476 0.0000000), wk = 0.0021413 k( 166) = ( 0.0142857 0.0142857 0.0000000), wk = 0.0021413 k( 167) = ( 0.0095238 0.0095238 0.0000000), wk = 0.0021413 k( 168) = ( 0.0047619 0.0047619 -0.0000000), wk = 0.0021413 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 171) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0021413 k( 172) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0021413 k( 173) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0021413 k( 174) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0021413 k( 175) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0021413 k( 176) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0021413 k( 177) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0021413 k( 178) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0021413 k( 179) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0021413 k( 180) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0021413 k( 181) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0021413 k( 182) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0021413 k( 183) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0021413 k( 184) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021413 k( 185) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0021413 k( 186) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0021413 k( 187) = ( 0.0000000 0.0000000 0.2023809), wk = 0.0021413 k( 188) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0021413 k( 189) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0021413 k( 190) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0021413 k( 191) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021413 k( 192) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0021413 k( 193) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0021413 k( 194) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0021413 k( 195) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0021413 k( 196) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0021413 k( 197) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0021413 k( 198) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021413 k( 199) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0021413 k( 200) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0021413 k( 201) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0021413 k( 202) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0021413 k( 203) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0021413 k( 204) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0021413 k( 205) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0021413 k( 206) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0021413 k( 207) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0021413 k( 208) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0021413 k( 209) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0021413 k( 210) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0021413 k( 211) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0021413 k( 212) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021413 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021413 k( 214) = ( 0.0081967 0.0000000 0.5000000), wk = 0.0021413 k( 215) = ( 0.0163934 0.0000000 0.5000000), wk = 0.0021413 k( 216) = ( 0.0245902 0.0000000 0.5000000), wk = 0.0021413 k( 217) = ( 0.0327869 0.0000000 0.5000000), wk = 0.0021413 k( 218) = ( 0.0409836 0.0000000 0.5000000), wk = 0.0021413 k( 219) = ( 0.0491803 0.0000000 0.5000000), wk = 0.0021413 k( 220) = ( 0.0573770 0.0000000 0.5000000), wk = 0.0021413 k( 221) = ( 0.0655738 0.0000000 0.5000000), wk = 0.0021413 k( 222) = ( 0.0737705 -0.0000000 0.5000000), wk = 0.0021413 k( 223) = ( 0.0819672 0.0000000 0.5000000), wk = 0.0021413 k( 224) = ( 0.0901639 0.0000000 0.5000000), wk = 0.0021413 k( 225) = ( 0.0983607 0.0000000 0.5000000), wk = 0.0021413 k( 226) = ( 0.1065574 -0.0000000 0.5000000), wk = 0.0021413 k( 227) = ( 0.1147541 0.0000000 0.5000000), wk = 0.0021413 k( 228) = ( 0.1229508 0.0000000 0.5000000), wk = 0.0021413 k( 229) = ( 0.1311475 0.0000000 0.5000000), wk = 0.0021413 k( 230) = ( 0.1393443 0.0000000 0.5000000), wk = 0.0021413 k( 231) = ( 0.1475410 -0.0000000 0.5000000), wk = 0.0021413 k( 232) = ( 0.1557377 -0.0000000 0.5000000), wk = 0.0021413 k( 233) = ( 0.1639344 0.0000000 0.5000000), wk = 0.0021413 k( 234) = ( 0.1721312 0.0000000 0.5000000), wk = 0.0021413 k( 235) = ( 0.1803279 0.0000000 0.5000000), wk = 0.0021413 k( 236) = ( 0.1885246 0.0000000 0.5000000), wk = 0.0021413 k( 237) = ( 0.1967213 0.0000000 0.5000000), wk = 0.0021413 k( 238) = ( 0.2049180 -0.0000000 0.5000000), wk = 0.0021413 k( 239) = ( 0.2131147 -0.0000000 0.5000000), wk = 0.0021413 k( 240) = ( 0.2213115 0.0000000 0.5000000), wk = 0.0021413 k( 241) = ( 0.2295082 0.0000000 0.5000000), wk = 0.0021413 k( 242) = ( 0.2377049 0.0000000 0.5000000), wk = 0.0021413 k( 243) = ( 0.2459016 0.0000000 0.5000000), wk = 0.0021413 k( 244) = ( 0.2540984 0.0000000 0.5000000), wk = 0.0021413 k( 245) = ( 0.2622951 0.0000000 0.5000000), wk = 0.0021413 k( 246) = ( 0.2704918 0.0000000 0.5000000), wk = 0.0021413 k( 247) = ( 0.2786885 0.0000000 0.5000000), wk = 0.0021413 k( 248) = ( 0.2868852 0.0000000 0.5000000), wk = 0.0021413 k( 249) = ( 0.2950820 0.0000000 0.5000000), wk = 0.0021413 k( 250) = ( 0.3032787 -0.0000000 0.5000000), wk = 0.0021413 k( 251) = ( 0.3114754 0.0000000 0.5000000), wk = 0.0021413 k( 252) = ( 0.3196721 0.0000000 0.5000000), wk = 0.0021413 k( 253) = ( 0.3278688 0.0000000 0.5000000), wk = 0.0021413 k( 254) = ( 0.3360656 0.0000000 0.5000000), wk = 0.0021413 k( 255) = ( 0.3442623 0.0000000 0.5000000), wk = 0.0021413 k( 256) = ( 0.3524590 0.0000000 0.5000000), wk = 0.0021413 k( 257) = ( 0.3606557 0.0000000 0.5000000), wk = 0.0021413 k( 258) = ( 0.3688525 0.0000000 0.5000000), wk = 0.0021413 k( 259) = ( 0.3770492 0.0000000 0.5000000), wk = 0.0021413 k( 260) = ( 0.3852459 0.0000000 0.5000000), wk = 0.0021413 k( 261) = ( 0.3934426 0.0000000 0.5000000), wk = 0.0021413 k( 262) = ( 0.4016393 0.0000000 0.5000000), wk = 0.0021413 k( 263) = ( 0.4098361 0.0000000 0.5000000), wk = 0.0021413 k( 264) = ( 0.4180328 -0.0000000 0.5000000), wk = 0.0021413 k( 265) = ( 0.4262295 0.0000000 0.5000000), wk = 0.0021413 k( 266) = ( 0.4344262 -0.0000000 0.5000000), wk = 0.0021413 k( 267) = ( 0.4426230 0.0000000 0.5000000), wk = 0.0021413 k( 268) = ( 0.4508197 0.0000000 0.5000000), wk = 0.0021413 k( 269) = ( 0.4590164 0.0000000 0.5000000), wk = 0.0021413 k( 270) = ( 0.4672131 0.0000000 0.5000000), wk = 0.0021413 k( 271) = ( 0.4754098 0.0000000 0.5000000), wk = 0.0021413 k( 272) = ( 0.4836066 0.0000000 0.5000000), wk = 0.0021413 k( 273) = ( 0.4918033 0.0000000 0.5000000), wk = 0.0021413 k( 274) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021413 k( 275) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021413 k( 276) = ( 0.4952381 0.0095238 0.5000000), wk = 0.0021413 k( 277) = ( 0.4904762 0.0190476 0.5000000), wk = 0.0021413 k( 278) = ( 0.4857143 0.0285714 0.5000000), wk = 0.0021413 k( 279) = ( 0.4809524 0.0380952 0.5000000), wk = 0.0021413 k( 280) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0021413 k( 281) = ( 0.4714286 0.0571429 0.5000000), wk = 0.0021413 k( 282) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0021413 k( 283) = ( 0.4619048 0.0761905 0.5000000), wk = 0.0021413 k( 284) = ( 0.4571429 0.0857143 0.5000000), wk = 0.0021413 k( 285) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0021413 k( 286) = ( 0.4476191 0.1047619 0.5000000), wk = 0.0021413 k( 287) = ( 0.4428571 0.1142857 0.5000000), wk = 0.0021413 k( 288) = ( 0.4380952 0.1238095 0.5000000), wk = 0.0021413 k( 289) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0021413 k( 290) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0021413 k( 291) = ( 0.4238095 0.1523809 0.5000000), wk = 0.0021413 k( 292) = ( 0.4190476 0.1619048 0.5000000), wk = 0.0021413 k( 293) = ( 0.4142857 0.1714286 0.5000000), wk = 0.0021413 k( 294) = ( 0.4095238 0.1809524 0.5000000), wk = 0.0021413 k( 295) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0021413 k( 296) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0021413 k( 297) = ( 0.3952381 0.2095238 0.5000000), wk = 0.0021413 k( 298) = ( 0.3904762 0.2190476 0.5000000), wk = 0.0021413 k( 299) = ( 0.3857143 0.2285714 0.5000000), wk = 0.0021413 k( 300) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0021413 k( 301) = ( 0.3761905 0.2476190 0.5000000), wk = 0.0021413 k( 302) = ( 0.3714286 0.2571429 0.5000000), wk = 0.0021413 k( 303) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0021413 k( 304) = ( 0.3619048 0.2761905 0.5000000), wk = 0.0021413 k( 305) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0021413 k( 306) = ( 0.3523810 0.2952381 0.5000000), wk = 0.0021413 k( 307) = ( 0.3476190 0.3047619 0.5000000), wk = 0.0021413 k( 308) = ( 0.3428571 0.3142857 0.5000000), wk = 0.0021413 k( 309) = ( 0.3380952 0.3238095 0.5000000), wk = 0.0021413 k( 310) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021413 k( 311) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021413 k( 312) = ( 0.3285714 0.3285714 0.5000000), wk = 0.0021413 k( 313) = ( 0.3238095 0.3238095 0.5000000), wk = 0.0021413 k( 314) = ( 0.3190476 0.3190476 0.5000000), wk = 0.0021413 k( 315) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0021413 k( 316) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0021413 k( 317) = ( 0.3047619 0.3047619 0.5000000), wk = 0.0021413 k( 318) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0021413 k( 319) = ( 0.2952381 0.2952381 0.5000000), wk = 0.0021413 k( 320) = ( 0.2904762 0.2904762 0.5000000), wk = 0.0021413 k( 321) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0021413 k( 322) = ( 0.2809524 0.2809524 0.5000000), wk = 0.0021413 k( 323) = ( 0.2761905 0.2761905 0.5000000), wk = 0.0021413 k( 324) = ( 0.2714286 0.2714286 0.5000000), wk = 0.0021413 k( 325) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0021413 k( 326) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0021413 k( 327) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0021413 k( 328) = ( 0.2523809 0.2523809 0.5000000), wk = 0.0021413 k( 329) = ( 0.2476191 0.2476190 0.5000000), wk = 0.0021413 k( 330) = ( 0.2428571 0.2428571 0.5000000), wk = 0.0021413 k( 331) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0021413 k( 332) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0021413 k( 333) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0021413 k( 334) = ( 0.2238095 0.2238095 0.5000000), wk = 0.0021413 k( 335) = ( 0.2190476 0.2190476 0.5000000), wk = 0.0021413 k( 336) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0021413 k( 337) = ( 0.2095238 0.2095238 0.5000000), wk = 0.0021413 k( 338) = ( 0.2047619 0.2047619 0.5000000), wk = 0.0021413 k( 339) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0021413 k( 340) = ( 0.1952381 0.1952381 0.5000000), wk = 0.0021413 k( 341) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0021413 k( 342) = ( 0.1857143 0.1857143 0.5000000), wk = 0.0021413 k( 343) = ( 0.1809524 0.1809524 0.5000000), wk = 0.0021413 k( 344) = ( 0.1761905 0.1761905 0.5000000), wk = 0.0021413 k( 345) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0021413 k( 346) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0021413 k( 347) = ( 0.1619048 0.1619048 0.5000000), wk = 0.0021413 k( 348) = ( 0.1571429 0.1571429 0.5000000), wk = 0.0021413 k( 349) = ( 0.1523809 0.1523809 0.5000000), wk = 0.0021413 k( 350) = ( 0.1476191 0.1476190 0.5000000), wk = 0.0021413 k( 351) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0021413 k( 352) = ( 0.1380952 0.1380952 0.5000000), wk = 0.0021413 k( 353) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0021413 k( 354) = ( 0.1285714 0.1285714 0.5000000), wk = 0.0021413 k( 355) = ( 0.1238095 0.1238095 0.5000000), wk = 0.0021413 k( 356) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0021413 k( 357) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0021413 k( 358) = ( 0.1095238 0.1095238 0.5000000), wk = 0.0021413 k( 359) = ( 0.1047619 0.1047619 0.5000000), wk = 0.0021413 k( 360) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0021413 k( 361) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0021413 k( 362) = ( 0.0904762 0.0904762 0.5000000), wk = 0.0021413 k( 363) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0021413 k( 364) = ( 0.0809524 0.0809524 0.5000000), wk = 0.0021413 k( 365) = ( 0.0761905 0.0761905 0.5000000), wk = 0.0021413 k( 366) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0021413 k( 367) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0021413 k( 368) = ( 0.0619048 0.0619048 0.5000000), wk = 0.0021413 k( 369) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0021413 k( 370) = ( 0.0523810 0.0523809 0.5000000), wk = 0.0021413 k( 371) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0021413 k( 372) = ( 0.0428571 0.0428571 0.5000000), wk = 0.0021413 k( 373) = ( 0.0380952 0.0380952 0.5000000), wk = 0.0021413 k( 374) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0021413 k( 375) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0021413 k( 376) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0021413 k( 377) = ( 0.0190476 0.0190476 0.5000000), wk = 0.0021413 k( 378) = ( 0.0142857 0.0142857 0.5000000), wk = 0.0021413 k( 379) = ( 0.0095238 0.0095238 0.5000000), wk = 0.0021413 k( 380) = ( 0.0047619 0.0047619 0.5000000), wk = 0.0021413 k( 381) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021413 k( 382) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021413 k( 383) = ( 0.5000000 0.0000000 0.4880952), wk = 0.0021413 k( 384) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0021413 k( 385) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0021413 k( 386) = ( 0.5000000 0.0000000 0.4523809), wk = 0.0021413 k( 387) = ( 0.5000000 0.0000000 0.4404762), wk = 0.0021413 k( 388) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0021413 k( 389) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0021413 k( 390) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0021413 k( 391) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0021413 k( 392) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0021413 k( 393) = ( 0.5000000 0.0000000 0.3690476), wk = 0.0021413 k( 394) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0021413 k( 395) = ( 0.5000000 0.0000000 0.3452381), wk = 0.0021413 k( 396) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0021413 k( 397) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0021413 k( 398) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0021413 k( 399) = ( 0.5000000 0.0000000 0.2976190), wk = 0.0021413 k( 400) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0021413 k( 401) = ( 0.5000000 0.0000000 0.2738095), wk = 0.0021413 k( 402) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0021413 k( 403) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0021413 k( 404) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0021413 k( 405) = ( 0.5000000 0.0000000 0.2261905), wk = 0.0021413 k( 406) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0021413 k( 407) = ( 0.5000000 0.0000000 0.2023809), wk = 0.0021413 k( 408) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0021413 k( 409) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0021413 k( 410) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0021413 k( 411) = ( 0.5000000 0.0000000 0.1547619), wk = 0.0021413 k( 412) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0021413 k( 413) = ( 0.5000000 0.0000000 0.1309524), wk = 0.0021413 k( 414) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0021413 k( 415) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0021413 k( 416) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0021413 k( 417) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0021413 k( 418) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0021413 k( 419) = ( 0.5000000 0.0000000 0.0595238), wk = 0.0021413 k( 420) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0021413 k( 421) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0021413 k( 422) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0021413 k( 423) = ( 0.5000000 0.0000000 0.0119048), wk = 0.0021413 k( 424) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021413 k( 425) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021413 k( 426) = ( 0.3333333 0.3333333 0.0119048), wk = 0.0021413 k( 427) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0021413 k( 428) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0021413 k( 429) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0021413 k( 430) = ( 0.3333333 0.3333333 0.0595238), wk = 0.0021413 k( 431) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0021413 k( 432) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0021413 k( 433) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0021413 k( 434) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0021413 k( 435) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0021413 k( 436) = ( 0.3333333 0.3333333 0.1309524), wk = 0.0021413 k( 437) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0021413 k( 438) = ( 0.3333333 0.3333333 0.1547619), wk = 0.0021413 k( 439) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0021413 k( 440) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0021413 k( 441) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0021413 k( 442) = ( 0.3333333 0.3333333 0.2023809), wk = 0.0021413 k( 443) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0021413 k( 444) = ( 0.3333333 0.3333333 0.2261905), wk = 0.0021413 k( 445) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0021413 k( 446) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0021413 k( 447) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0021413 k( 448) = ( 0.3333333 0.3333333 0.2738095), wk = 0.0021413 k( 449) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0021413 k( 450) = ( 0.3333333 0.3333333 0.2976190), wk = 0.0021413 k( 451) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0021413 k( 452) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0021413 k( 453) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0021413 k( 454) = ( 0.3333333 0.3333333 0.3452381), wk = 0.0021413 k( 455) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0021413 k( 456) = ( 0.3333333 0.3333333 0.3690476), wk = 0.0021413 k( 457) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0021413 k( 458) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0021413 k( 459) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0021413 k( 460) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0021413 k( 461) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0021413 k( 462) = ( 0.3333333 0.3333333 0.4404762), wk = 0.0021413 k( 463) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0021413 k( 464) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0021413 k( 465) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0021413 k( 466) = ( 0.3333333 0.3333333 0.4880952), wk = 0.0021413 k( 467) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021413 Dense grid: 19409 G-vectors FFT dimensions: ( 36, 36, 45) Smooth grid: 11091 G-vectors FFT dimensions: ( 27, 27, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 58, 34) NL pseudopotentials 0.03 Mb ( 29, 62) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 405) G-vector shells 0.00 Mb ( 165) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 58, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 62, 2, 34) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./OsN2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.4 secs Computing kpt #: 2 total cpu time spent up to now is 40.7 secs Computing kpt #: 3 total cpu time spent up to now is 40.9 secs Computing kpt #: 4 total cpu time spent up to now is 41.3 secs Computing kpt #: 5 total cpu time spent up to now is 41.6 secs Computing kpt #: 6 total cpu time spent up to now is 41.8 secs Computing kpt #: 7 total cpu time spent up to now is 42.1 secs Computing kpt #: 8 total cpu time spent up to now is 42.4 secs Computing kpt #: 9 total cpu time spent up to now is 42.7 secs Computing kpt #: 10 total cpu time spent up to now is 43.0 secs Computing kpt #: 11 total cpu time spent up to now is 43.3 secs Computing kpt #: 12 total cpu time spent up to now is 43.6 secs Computing kpt #: 13 total cpu time spent up to now is 43.9 secs Computing kpt #: 14 total cpu time spent up to now is 44.2 secs Computing kpt #: 15 total cpu time spent up to now is 44.5 secs Computing kpt #: 16 total cpu time spent up to now is 44.8 secs Computing kpt #: 17 total cpu time spent up to now is 45.1 secs Computing kpt #: 18 total cpu time spent up to now is 45.5 secs Computing kpt #: 19 total cpu time spent up to now is 45.8 secs Computing kpt #: 20 total cpu time spent up to now is 46.1 secs Computing kpt #: 21 total cpu time spent up to now is 46.4 secs Computing kpt #: 22 total cpu time spent up to now is 46.7 secs Computing kpt #: 23 total cpu time spent up to now is 47.0 secs Computing kpt #: 24 total cpu time spent up to now is 47.5 secs Computing kpt #: 25 total cpu time spent up to now is 47.9 secs Computing kpt #: 26 total cpu time spent up to now is 48.2 secs Computing kpt #: 27 total cpu time spent up to now is 48.5 secs Computing kpt #: 28 total cpu time spent up to now is 48.9 secs Computing kpt #: 29 total cpu time spent up to now is 49.2 secs Computing kpt #: 30 total cpu time spent up to now is 49.5 secs Computing kpt #: 31 total cpu time spent up to now is 49.9 secs Computing kpt #: 32 total cpu time spent up to now is 50.2 secs Computing kpt #: 33 total cpu time spent up to now is 50.6 secs Computing kpt #: 34 total cpu time spent up to now is 50.9 secs Computing kpt #: 35 total cpu time spent up to now is 51.2 secs Computing kpt #: 36 total cpu time spent up to now is 51.6 secs Computing kpt #: 37 total cpu time spent up to now is 51.9 secs Computing kpt #: 38 total cpu time spent up to now is 52.3 secs Computing kpt #: 39 total cpu time spent up to now is 52.6 secs Computing kpt #: 40 total cpu time spent up to now is 52.9 secs Computing kpt #: 41 total cpu time spent up to now is 53.2 secs Computing kpt #: 42 total cpu time spent up to now is 53.8 secs Computing kpt #: 43 total cpu time spent up to now is 54.2 secs Computing kpt #: 44 total cpu time spent up to now is 54.7 secs Computing kpt #: 45 total cpu time spent up to now is 55.1 secs Computing kpt #: 46 total cpu time spent up to now is 55.7 secs Computing kpt #: 47 total cpu time spent up to now is 56.4 secs Computing kpt #: 48 total cpu time spent up to now is 56.7 secs Computing kpt #: 49 total cpu time spent up to now is 57.0 secs Computing kpt #: 50 total cpu time spent up to now is 57.6 secs Computing kpt #: 51 total cpu time spent up to now is 58.2 secs Computing kpt #: 52 total cpu time spent up to now is 58.6 secs Computing kpt #: 53 total cpu time spent up to now is 59.1 secs Computing kpt #: 54 total cpu time spent up to now is 59.4 secs Computing kpt #: 55 total cpu time spent up to now is 59.9 secs Computing kpt #: 56 total cpu time spent up to now is 60.3 secs Computing kpt #: 57 total cpu time spent up to now is 60.6 secs Computing kpt #: 58 total cpu time spent up to now is 61.0 secs Computing kpt #: 59 total cpu time spent up to now is 61.5 secs Computing kpt #: 60 total cpu time spent up to now is 61.8 secs Computing kpt #: 61 total cpu time spent up to now is 62.1 secs Computing kpt #: 62 total cpu time spent up to now is 62.4 secs Computing kpt #: 63 total cpu time spent up to now is 62.7 secs Computing kpt #: 64 total cpu time spent up to now is 63.0 secs Computing kpt #: 65 total cpu time spent up to now is 63.3 secs Computing kpt #: 66 total cpu time spent up to now is 63.6 secs Computing kpt #: 67 total cpu time spent up to now is 64.0 secs Computing kpt #: 68 total cpu time spent up to now is 64.4 secs Computing kpt #: 69 total cpu time spent up to now is 64.8 secs Computing kpt #: 70 total cpu time spent up to now is 65.6 secs Computing kpt #: 71 total cpu time spent up to now is 66.1 secs Computing kpt #: 72 total cpu time spent up to now is 66.5 secs Computing kpt #: 73 total cpu time spent up to now is 66.9 secs Computing kpt #: 74 total cpu time spent up to now is 67.3 secs Computing kpt #: 75 total cpu time spent up to now is 67.7 secs Computing kpt #: 76 total cpu time spent up to now is 68.0 secs Computing kpt #: 77 total cpu time spent up to now is 68.6 secs Computing kpt #: 78 total cpu time spent up to now is 68.9 secs Computing kpt #: 79 total cpu time spent up to now is 69.3 secs Computing kpt #: 80 total cpu time spent up to now is 69.6 secs Computing kpt #: 81 total cpu time spent up to now is 70.1 secs Computing kpt #: 82 total cpu time spent up to now is 70.5 secs Computing kpt #: 83 total cpu time spent up to now is 70.8 secs Computing kpt #: 84 total cpu time spent up to now is 71.2 secs Computing kpt #: 85 total cpu time spent up to now is 71.5 secs Computing kpt #: 86 total cpu time spent up to now is 71.8 secs Computing kpt #: 87 total cpu time spent up to now is 72.2 secs Computing kpt #: 88 total cpu time spent up to now is 72.5 secs Computing kpt #: 89 total cpu time spent up to now is 72.8 secs Computing kpt #: 90 total cpu time spent up to now is 73.1 secs Computing kpt #: 91 total cpu time spent up to now is 73.5 secs Computing kpt #: 92 total cpu time spent up to now is 73.8 secs Computing kpt #: 93 total cpu time spent up to now is 74.2 secs Computing kpt #: 94 total cpu time spent up to now is 74.5 secs Computing kpt #: 95 total cpu time spent up to now is 74.9 secs Computing kpt #: 96 total cpu time spent up to now is 75.2 secs Computing kpt #: 97 total cpu time spent up to now is 75.7 secs Computing kpt #: 98 total cpu time spent up to now is 76.0 secs Computing kpt #: 99 total cpu time spent up to now is 76.4 secs Computing kpt #: 100 total cpu time spent up to now is 76.7 secs Computing kpt #: 101 total cpu time spent up to now is 77.1 secs Computing kpt #: 102 total cpu time spent up to now is 78.5 secs Computing kpt #: 103 total cpu time spent up to now is 79.2 secs Computing kpt #: 104 total cpu time spent up to now is 79.6 secs Computing kpt #: 105 total cpu time spent up to now is 80.2 secs Computing kpt #: 106 total cpu time spent up to now is 80.5 secs Computing kpt #: 107 total cpu time spent up to now is 80.8 secs Computing kpt #: 108 total cpu time spent up to now is 81.3 secs Computing kpt #: 109 total cpu time spent up to now is 81.6 secs Computing kpt #: 110 total cpu time spent up to now is 82.1 secs Computing kpt #: 111 total cpu time spent up to now is 82.5 secs Computing kpt #: 112 total cpu time spent up to now is 83.0 secs Computing kpt #: 113 total cpu time spent up to now is 83.5 secs Computing kpt #: 114 total cpu time spent up to now is 84.0 secs Computing kpt #: 115 total cpu time spent up to now is 84.3 secs Computing kpt #: 116 total cpu time spent up to now is 84.6 secs Computing kpt #: 117 total cpu time spent up to now is 85.3 secs Computing kpt #: 118 total cpu time spent up to now is 85.6 secs Computing kpt #: 119 total cpu time spent up to now is 86.0 secs Computing kpt #: 120 total cpu time spent up to now is 86.3 secs Computing kpt #: 121 total cpu time spent up to now is 87.0 secs Computing kpt #: 122 total cpu time spent up to now is 87.5 secs Computing kpt #: 123 total cpu time spent up to now is 87.8 secs Computing kpt #: 124 total cpu time spent up to now is 88.1 secs Computing kpt #: 125 total cpu time spent up to now is 88.6 secs Computing kpt #: 126 total cpu time spent up to now is 88.9 secs Computing kpt #: 127 total cpu time spent up to now is 89.3 secs Computing kpt #: 128 total cpu time spent up to now is 89.6 secs Computing kpt #: 129 total cpu time spent up to now is 90.0 secs Computing kpt #: 130 total cpu time spent up to now is 90.4 secs Computing kpt #: 131 total cpu time spent up to now is 90.7 secs Computing kpt #: 132 total cpu time spent up to now is 91.0 secs Computing kpt #: 133 total cpu time spent up to now is 91.8 secs Computing kpt #: 134 total cpu time spent up to now is 92.5 secs Computing kpt #: 135 total cpu time spent up to now is 93.2 secs Computing kpt #: 136 total cpu time spent up to now is 93.8 secs Computing kpt #: 137 total cpu time spent up to now is 94.2 secs Computing kpt #: 138 total cpu time spent up to now is 94.7 secs Computing kpt #: 139 total cpu time spent up to now is 95.1 secs Computing kpt #: 140 total cpu time spent up to now is 95.4 secs Computing kpt #: 141 total cpu time spent up to now is 95.7 secs Computing kpt #: 142 total cpu time spent up to now is 96.0 secs Computing kpt #: 143 total cpu time spent up to now is 96.6 secs Computing kpt #: 144 total cpu time spent up to now is 96.9 secs Computing kpt #: 145 total cpu time spent up to now is 97.2 secs Computing kpt #: 146 total cpu time spent up to now is 97.5 secs Computing kpt #: 147 total cpu time spent up to now is 97.9 secs Computing kpt #: 148 total cpu time spent up to now is 98.2 secs Computing kpt #: 149 total cpu time spent up to now is 98.8 secs Computing kpt #: 150 total cpu time spent up to now is 99.2 secs Computing kpt #: 151 total cpu time spent up to now is 99.5 secs Computing kpt #: 152 total cpu time spent up to now is 99.9 secs Computing kpt #: 153 total cpu time spent up to now is 100.2 secs Computing kpt #: 154 total cpu time spent up to now is 100.5 secs Computing kpt #: 155 total cpu time spent up to now is 100.8 secs Computing kpt #: 156 total cpu time spent up to now is 101.1 secs Computing kpt #: 157 total cpu time spent up to now is 101.4 secs Computing kpt #: 158 total cpu time spent up to now is 101.7 secs Computing kpt #: 159 total cpu time spent up to now is 102.0 secs Computing kpt #: 160 total cpu time spent up to now is 102.3 secs Computing kpt #: 161 total cpu time spent up to now is 102.7 secs Computing kpt #: 162 total cpu time spent up to now is 103.5 secs Computing kpt #: 163 total cpu time spent up to now is 103.9 secs Computing kpt #: 164 total cpu time spent up to now is 105.8 secs Computing kpt #: 165 total cpu time spent up to now is 106.6 secs Computing kpt #: 166 total cpu time spent up to now is 107.4 secs Computing kpt #: 167 total cpu time spent up to now is 108.2 secs Computing kpt #: 168 total cpu time spent up to now is 108.6 secs Computing kpt #: 169 total cpu time spent up to now is 108.9 secs Computing kpt #: 170 total cpu time spent up to now is 109.3 secs Computing kpt #: 171 total cpu time spent up to now is 109.6 secs Computing kpt #: 172 total cpu time spent up to now is 109.9 secs Computing kpt #: 173 total cpu time spent up to now is 110.2 secs Computing kpt #: 174 total cpu time spent up to now is 110.6 secs Computing kpt #: 175 total cpu time spent up to now is 111.0 secs Computing kpt #: 176 total cpu time spent up to now is 111.3 secs Computing kpt #: 177 total cpu time spent up to now is 111.6 secs Computing kpt #: 178 total cpu time spent up to now is 111.9 secs Computing kpt #: 179 total cpu time spent up to now is 112.2 secs Computing kpt #: 180 total cpu time spent up to now is 112.5 secs Computing kpt #: 181 total cpu time spent up to now is 112.8 secs Computing kpt #: 182 total cpu time spent up to now is 113.1 secs Computing kpt #: 183 total cpu time spent up to now is 113.4 secs Computing kpt #: 184 total cpu time spent up to now is 113.7 secs Computing kpt #: 185 total cpu time spent up to now is 114.1 secs Computing kpt #: 186 total cpu time spent up to now is 114.5 secs Computing kpt #: 187 total cpu time spent up to now is 114.8 secs Computing kpt #: 188 total cpu time spent up to now is 115.1 secs Computing kpt #: 189 total cpu time spent up to now is 115.5 secs Computing kpt #: 190 total cpu time spent up to now is 115.9 secs Computing kpt #: 191 total cpu time spent up to now is 116.3 secs Computing kpt #: 192 total cpu time spent up to now is 116.6 secs Computing kpt #: 193 total cpu time spent up to now is 117.0 secs Computing kpt #: 194 total cpu time spent up to now is 117.4 secs Computing kpt #: 195 total cpu time spent up to now is 117.7 secs Computing kpt #: 196 total cpu time spent up to now is 118.1 secs Computing kpt #: 197 total cpu time spent up to now is 118.5 secs Computing kpt #: 198 total cpu time spent up to now is 118.8 secs Computing kpt #: 199 total cpu time spent up to now is 119.2 secs Computing kpt #: 200 total cpu time spent up to now is 120.2 secs Computing kpt #: 201 total cpu time spent up to now is 120.5 secs Computing kpt #: 202 total cpu time spent up to now is 120.8 secs Computing kpt #: 203 total cpu time spent up to now is 121.1 secs Computing kpt #: 204 total cpu time spent up to now is 121.5 secs Computing kpt #: 205 total cpu time spent up to now is 121.8 secs Computing kpt #: 206 total cpu time spent up to now is 122.1 secs Computing kpt #: 207 total cpu time spent up to now is 122.5 secs Computing kpt #: 208 total cpu time spent up to now is 122.8 secs Computing kpt #: 209 total cpu time spent up to now is 123.2 secs Computing kpt #: 210 total cpu time spent up to now is 124.3 secs Computing kpt #: 211 total cpu time spent up to now is 125.3 secs Computing kpt #: 212 total cpu time spent up to now is 126.2 secs Computing kpt #: 213 total cpu time spent up to now is 127.0 secs Computing kpt #: 214 total cpu time spent up to now is 127.8 secs Computing kpt #: 215 total cpu time spent up to now is 128.6 secs Computing kpt #: 216 total cpu time spent up to now is 128.9 secs Computing kpt #: 217 total cpu time spent up to now is 129.2 secs Computing kpt #: 218 total cpu time spent up to now is 129.6 secs Computing kpt #: 219 total cpu time spent up to now is 129.9 secs Computing kpt #: 220 total cpu time spent up to now is 130.4 secs Computing kpt #: 221 total cpu time spent up to now is 130.8 secs Computing kpt #: 222 total cpu time spent up to now is 131.2 secs Computing kpt #: 223 total cpu time spent up to now is 131.6 secs Computing kpt #: 224 total cpu time spent up to now is 131.9 secs Computing kpt #: 225 total cpu time spent up to now is 132.3 secs Computing kpt #: 226 total cpu time spent up to now is 132.6 secs Computing kpt #: 227 total cpu time spent up to now is 133.0 secs Computing kpt #: 228 total cpu time spent up to now is 133.3 secs Computing kpt #: 229 total cpu time spent up to now is 133.7 secs Computing kpt #: 230 total cpu time spent up to now is 134.0 secs Computing kpt #: 231 total cpu time spent up to now is 134.4 secs Computing kpt #: 232 total cpu time spent up to now is 134.7 secs Computing kpt #: 233 total cpu time spent up to now is 135.4 secs Computing kpt #: 234 total cpu time spent up to now is 136.5 secs Computing kpt #: 235 total cpu time spent up to now is 137.7 secs Computing kpt #: 236 total cpu time spent up to now is 138.6 secs Computing kpt #: 237 total cpu time spent up to now is 139.3 secs Computing kpt #: 238 total cpu time spent up to now is 139.7 secs Computing kpt #: 239 total cpu time spent up to now is 140.1 secs Computing kpt #: 240 total cpu time spent up to now is 140.4 secs Computing kpt #: 241 total cpu time spent up to now is 140.8 secs Computing kpt #: 242 total cpu time spent up to now is 141.2 secs Computing kpt #: 243 total cpu time spent up to now is 141.5 secs Computing kpt #: 244 total cpu time spent up to now is 141.8 secs Computing kpt #: 245 total cpu time spent up to now is 142.2 secs Computing kpt #: 246 total cpu time spent up to now is 142.5 secs Computing kpt #: 247 total cpu time spent up to now is 142.9 secs Computing kpt #: 248 total cpu time spent up to now is 143.2 secs Computing kpt #: 249 total cpu time spent up to now is 143.6 secs Computing kpt #: 250 total cpu time spent up to now is 144.0 secs Computing kpt #: 251 total cpu time spent up to now is 144.4 secs Computing kpt #: 252 total cpu time spent up to now is 145.1 secs Computing kpt #: 253 total cpu time spent up to now is 146.0 secs Computing kpt #: 254 total cpu time spent up to now is 146.9 secs Computing kpt #: 255 total cpu time spent up to now is 147.9 secs Computing kpt #: 256 total cpu time spent up to now is 148.8 secs Computing kpt #: 257 total cpu time spent up to now is 149.4 secs Computing kpt #: 258 total cpu time spent up to now is 149.9 secs Computing kpt #: 259 total cpu time spent up to now is 150.5 secs Computing kpt #: 260 total cpu time spent up to now is 150.9 secs Computing kpt #: 261 total cpu time spent up to now is 151.3 secs Computing kpt #: 262 total cpu time spent up to now is 151.7 secs Computing kpt #: 263 total cpu time spent up to now is 152.0 secs Computing kpt #: 264 total cpu time spent up to now is 152.3 secs Computing kpt #: 265 total cpu time spent up to now is 152.7 secs Computing kpt #: 266 total cpu time spent up to now is 153.0 secs Computing kpt #: 267 total cpu time spent up to now is 153.4 secs Computing kpt #: 268 total cpu time spent up to now is 153.7 secs Computing kpt #: 269 total cpu time spent up to now is 154.0 secs Computing kpt #: 270 total cpu time spent up to now is 154.4 secs Computing kpt #: 271 total cpu time spent up to now is 154.7 secs Computing kpt #: 272 total cpu time spent up to now is 155.0 secs Computing kpt #: 273 total cpu time spent up to now is 155.4 secs Computing kpt #: 274 total cpu time spent up to now is 155.7 secs Computing kpt #: 275 total cpu time spent up to now is 156.0 secs Computing kpt #: 276 total cpu time spent up to now is 156.3 secs Computing kpt #: 277 total cpu time spent up to now is 156.7 secs Computing kpt #: 278 total cpu time spent up to now is 157.0 secs Computing kpt #: 279 total cpu time spent up to now is 157.3 secs Computing kpt #: 280 total cpu time spent up to now is 157.6 secs Computing kpt #: 281 total cpu time spent up to now is 158.0 secs Computing kpt #: 282 total cpu time spent up to now is 158.3 secs Computing kpt #: 283 total cpu time spent up to now is 158.6 secs Computing kpt #: 284 total cpu time spent up to now is 159.0 secs Computing kpt #: 285 total cpu time spent up to now is 159.3 secs Computing kpt #: 286 total cpu time spent up to now is 159.7 secs Computing kpt #: 287 total cpu time spent up to now is 160.0 secs Computing kpt #: 288 total cpu time spent up to now is 160.4 secs Computing kpt #: 289 total cpu time spent up to now is 160.8 secs Computing kpt #: 290 total cpu time spent up to now is 161.2 secs Computing kpt #: 291 total cpu time spent up to now is 161.6 secs Computing kpt #: 292 total cpu time spent up to now is 162.0 secs Computing kpt #: 293 total cpu time spent up to now is 162.4 secs Computing kpt #: 294 total cpu time spent up to now is 162.8 secs Computing kpt #: 295 total cpu time spent up to now is 163.2 secs Computing kpt #: 296 total cpu time spent up to now is 163.6 secs Computing kpt #: 297 total cpu time spent up to now is 163.9 secs Computing kpt #: 298 total cpu time spent up to now is 164.5 secs Computing kpt #: 299 total cpu time spent up to now is 164.9 secs Computing kpt #: 300 total cpu time spent up to now is 165.2 secs Computing kpt #: 301 total cpu time spent up to now is 165.6 secs Computing kpt #: 302 total cpu time spent up to now is 165.9 secs Computing kpt #: 303 total cpu time spent up to now is 166.3 secs Computing kpt #: 304 total cpu time spent up to now is 166.6 secs Computing kpt #: 305 total cpu time spent up to now is 167.1 secs Computing kpt #: 306 total cpu time spent up to now is 168.0 secs Computing kpt #: 307 total cpu time spent up to now is 169.0 secs Computing kpt #: 308 total cpu time spent up to now is 170.4 secs Computing kpt #: 309 total cpu time spent up to now is 171.3 secs Computing kpt #: 310 total cpu time spent up to now is 171.9 secs Computing kpt #: 311 total cpu time spent up to now is 172.6 secs Computing kpt #: 312 total cpu time spent up to now is 173.1 secs Computing kpt #: 313 total cpu time spent up to now is 173.6 secs Computing kpt #: 314 total cpu time spent up to now is 174.2 secs Computing kpt #: 315 total cpu time spent up to now is 174.8 secs Computing kpt #: 316 total cpu time spent up to now is 175.2 secs Computing kpt #: 317 total cpu time spent up to now is 175.9 secs Computing kpt #: 318 total cpu time spent up to now is 177.1 secs Computing kpt #: 319 total cpu time spent up to now is 177.6 secs Computing kpt #: 320 total cpu time spent up to now is 178.0 secs Computing kpt #: 321 total cpu time spent up to now is 178.3 secs Computing kpt #: 322 total cpu time spent up to now is 178.7 secs Computing kpt #: 323 total cpu time spent up to now is 179.0 secs Computing kpt #: 324 total cpu time spent up to now is 179.4 secs Computing kpt #: 325 total cpu time spent up to now is 179.8 secs Computing kpt #: 326 total cpu time spent up to now is 180.1 secs Computing kpt #: 327 total cpu time spent up to now is 180.5 secs Computing kpt #: 328 total cpu time spent up to now is 180.8 secs Computing kpt #: 329 total cpu time spent up to now is 181.2 secs Computing kpt #: 330 total cpu time spent up to now is 181.5 secs Computing kpt #: 331 total cpu time spent up to now is 181.9 secs Computing kpt #: 332 total cpu time spent up to now is 182.2 secs Computing kpt #: 333 total cpu time spent up to now is 182.6 secs Computing kpt #: 334 total cpu time spent up to now is 182.9 secs Computing kpt #: 335 total cpu time spent up to now is 183.3 secs Computing kpt #: 336 total cpu time spent up to now is 183.6 secs Computing kpt #: 337 total cpu time spent up to now is 184.0 secs Computing kpt #: 338 total cpu time spent up to now is 184.4 secs Computing kpt #: 339 total cpu time spent up to now is 185.3 secs Computing kpt #: 340 total cpu time spent up to now is 186.2 secs Computing kpt #: 341 total cpu time spent up to now is 187.1 secs Computing kpt #: 342 total cpu time spent up to now is 187.9 secs Computing kpt #: 343 total cpu time spent up to now is 188.8 secs Computing kpt #: 344 total cpu time spent up to now is 189.1 secs Computing kpt #: 345 total cpu time spent up to now is 189.5 secs Computing kpt #: 346 total cpu time spent up to now is 189.8 secs Computing kpt #: 347 total cpu time spent up to now is 190.2 secs Computing kpt #: 348 total cpu time spent up to now is 190.5 secs Computing kpt #: 349 total cpu time spent up to now is 190.9 secs Computing kpt #: 350 total cpu time spent up to now is 191.2 secs Computing kpt #: 351 total cpu time spent up to now is 191.6 secs Computing kpt #: 352 total cpu time spent up to now is 192.0 secs Computing kpt #: 353 total cpu time spent up to now is 192.5 secs Computing kpt #: 354 total cpu time spent up to now is 192.8 secs Computing kpt #: 355 total cpu time spent up to now is 193.3 secs Computing kpt #: 356 total cpu time spent up to now is 193.7 secs Computing kpt #: 357 total cpu time spent up to now is 194.0 secs Computing kpt #: 358 total cpu time spent up to now is 194.4 secs Computing kpt #: 359 total cpu time spent up to now is 194.7 secs Computing kpt #: 360 total cpu time spent up to now is 195.1 secs Computing kpt #: 361 total cpu time spent up to now is 195.5 secs Computing kpt #: 362 total cpu time spent up to now is 196.3 secs Computing kpt #: 363 total cpu time spent up to now is 196.6 secs Computing kpt #: 364 total cpu time spent up to now is 197.0 secs Computing kpt #: 365 total cpu time spent up to now is 197.3 secs Computing kpt #: 366 total cpu time spent up to now is 197.7 secs Computing kpt #: 367 total cpu time spent up to now is 198.0 secs Computing kpt #: 368 total cpu time spent up to now is 198.4 secs Computing kpt #: 369 total cpu time spent up to now is 198.7 secs Computing kpt #: 370 total cpu time spent up to now is 199.1 secs Computing kpt #: 371 total cpu time spent up to now is 199.4 secs Computing kpt #: 372 total cpu time spent up to now is 199.7 secs Computing kpt #: 373 total cpu time spent up to now is 200.1 secs Computing kpt #: 374 total cpu time spent up to now is 200.4 secs Computing kpt #: 375 total cpu time spent up to now is 200.7 secs Computing kpt #: 376 total cpu time spent up to now is 201.0 secs Computing kpt #: 377 total cpu time spent up to now is 201.4 secs Computing kpt #: 378 total cpu time spent up to now is 201.7 secs Computing kpt #: 379 total cpu time spent up to now is 202.0 secs Computing kpt #: 380 total cpu time spent up to now is 202.3 secs Computing kpt #: 381 total cpu time spent up to now is 202.6 secs Computing kpt #: 382 total cpu time spent up to now is 203.0 secs Computing kpt #: 383 total cpu time spent up to now is 203.3 secs Computing kpt #: 384 total cpu time spent up to now is 203.6 secs Computing kpt #: 385 total cpu time spent up to now is 204.0 secs Computing kpt #: 386 total cpu time spent up to now is 204.3 secs Computing kpt #: 387 total cpu time spent up to now is 204.6 secs Computing kpt #: 388 total cpu time spent up to now is 205.0 secs Computing kpt #: 389 total cpu time spent up to now is 205.3 secs Computing kpt #: 390 total cpu time spent up to now is 205.7 secs Computing kpt #: 391 total cpu time spent up to now is 206.2 secs Computing kpt #: 392 total cpu time spent up to now is 207.1 secs Computing kpt #: 393 total cpu time spent up to now is 208.1 secs Computing kpt #: 394 total cpu time spent up to now is 209.1 secs Computing kpt #: 395 total cpu time spent up to now is 210.1 secs Computing kpt #: 396 total cpu time spent up to now is 211.2 secs Computing kpt #: 397 total cpu time spent up to now is 212.1 secs Computing kpt #: 398 total cpu time spent up to now is 212.5 secs Computing kpt #: 399 total cpu time spent up to now is 213.2 secs Computing kpt #: 400 total cpu time spent up to now is 213.7 secs Computing kpt #: 401 total cpu time spent up to now is 214.1 secs Computing kpt #: 402 total cpu time spent up to now is 214.6 secs Computing kpt #: 403 total cpu time spent up to now is 215.1 secs Computing kpt #: 404 total cpu time spent up to now is 215.6 secs Computing kpt #: 405 total cpu time spent up to now is 216.0 secs Computing kpt #: 406 total cpu time spent up to now is 216.4 secs Computing kpt #: 407 total cpu time spent up to now is 216.8 secs Computing kpt #: 408 total cpu time spent up to now is 217.2 secs Computing kpt #: 409 total cpu time spent up to now is 217.6 secs Computing kpt #: 410 total cpu time spent up to now is 217.9 secs Computing kpt #: 411 total cpu time spent up to now is 218.3 secs Computing kpt #: 412 total cpu time spent up to now is 218.7 secs Computing kpt #: 413 total cpu time spent up to now is 219.0 secs Computing kpt #: 414 total cpu time spent up to now is 219.4 secs Computing kpt #: 415 total cpu time spent up to now is 219.7 secs Computing kpt #: 416 total cpu time spent up to now is 220.1 secs Computing kpt #: 417 total cpu time spent up to now is 220.4 secs Computing kpt #: 418 total cpu time spent up to now is 220.8 secs Computing kpt #: 419 total cpu time spent up to now is 221.1 secs Computing kpt #: 420 total cpu time spent up to now is 221.5 secs Computing kpt #: 421 total cpu time spent up to now is 221.9 secs Computing kpt #: 422 total cpu time spent up to now is 222.2 secs Computing kpt #: 423 total cpu time spent up to now is 222.5 secs Computing kpt #: 424 total cpu time spent up to now is 222.8 secs Computing kpt #: 425 total cpu time spent up to now is 223.1 secs Computing kpt #: 426 total cpu time spent up to now is 223.4 secs Computing kpt #: 427 total cpu time spent up to now is 223.8 secs Computing kpt #: 428 total cpu time spent up to now is 224.1 secs Computing kpt #: 429 total cpu time spent up to now is 224.5 secs Computing kpt #: 430 total cpu time spent up to now is 224.8 secs Computing kpt #: 431 total cpu time spent up to now is 225.1 secs Computing kpt #: 432 total cpu time spent up to now is 225.4 secs Computing kpt #: 433 total cpu time spent up to now is 225.8 secs Computing kpt #: 434 total cpu time spent up to now is 226.1 secs Computing kpt #: 435 total cpu time spent up to now is 226.4 secs Computing kpt #: 436 total cpu time spent up to now is 226.8 secs Computing kpt #: 437 total cpu time spent up to now is 227.1 secs Computing kpt #: 438 total cpu time spent up to now is 227.4 secs Computing kpt #: 439 total cpu time spent up to now is 227.8 secs Computing kpt #: 440 total cpu time spent up to now is 228.1 secs Computing kpt #: 441 total cpu time spent up to now is 228.5 secs Computing kpt #: 442 total cpu time spent up to now is 228.8 secs Computing kpt #: 443 total cpu time spent up to now is 229.2 secs Computing kpt #: 444 total cpu time spent up to now is 229.5 secs Computing kpt #: 445 total cpu time spent up to now is 229.9 secs Computing kpt #: 446 total cpu time spent up to now is 230.3 secs Computing kpt #: 447 total cpu time spent up to now is 230.6 secs Computing kpt #: 448 total cpu time spent up to now is 231.0 secs Computing kpt #: 449 total cpu time spent up to now is 232.1 secs Computing kpt #: 450 total cpu time spent up to now is 233.1 secs Computing kpt #: 451 total cpu time spent up to now is 234.2 secs Computing kpt #: 452 total cpu time spent up to now is 235.2 secs Computing kpt #: 453 total cpu time spent up to now is 236.2 secs Computing kpt #: 454 total cpu time spent up to now is 237.0 secs Computing kpt #: 455 total cpu time spent up to now is 237.6 secs Computing kpt #: 456 total cpu time spent up to now is 238.0 secs Computing kpt #: 457 total cpu time spent up to now is 238.8 secs Computing kpt #: 458 total cpu time spent up to now is 239.2 secs Computing kpt #: 459 total cpu time spent up to now is 239.8 secs Computing kpt #: 460 total cpu time spent up to now is 240.2 secs Computing kpt #: 461 total cpu time spent up to now is 240.7 secs Computing kpt #: 462 total cpu time spent up to now is 241.0 secs Computing kpt #: 463 total cpu time spent up to now is 241.4 secs Computing kpt #: 464 total cpu time spent up to now is 241.7 secs Computing kpt #: 465 total cpu time spent up to now is 242.2 secs Computing kpt #: 466 total cpu time spent up to now is 242.5 secs Computing kpt #: 467 total cpu time spent up to now is 242.9 secs ethr = 3.85E-11, avg # of iterations = 13.8 total cpu time spent up to now is 243.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1397 PWs) bands (ev): -69.4038 -69.4038 -37.7746 -37.7746 -25.6080 -25.6080 -25.5443 -25.5443 -4.4526 -4.4526 5.6206 5.6206 5.7639 5.7639 10.1507 10.1507 10.3398 10.3398 13.9337 13.9337 14.4108 14.4108 14.7970 14.7970 16.6980 16.6980 17.2537 17.2537 20.1254 20.1254 20.2249 20.2249 20.3973 20.3973 k = 0.0082 0.0047-0.0000 ( 1397 PWs) bands (ev): -69.4038 -69.4038 -37.7747 -37.7747 -25.6080 -25.6080 -25.5445 -25.5445 -4.4521 -4.4521 5.6199 5.6199 5.7650 5.7650 10.1498 10.1498 10.3389 10.3389 13.9333 13.9333 14.4103 14.4103 14.7960 14.7960 16.6985 16.6985 17.2539 17.2539 20.1276 20.1276 20.2275 20.2275 20.3979 20.3979 k = 0.0164 0.0095-0.0000 ( 1393 PWs) bands (ev): -69.4038 -69.4038 -37.7748 -37.7748 -25.6080 -25.6080 -25.5450 -25.5450 -4.4503 -4.4503 5.6179 5.6179 5.7683 5.7683 10.1470 10.1470 10.3364 10.3364 13.9320 13.9320 14.4086 14.4086 14.7930 14.7930 16.7001 16.7001 17.2543 17.2543 20.1337 20.1337 20.2355 20.2355 20.4000 20.4000 k = 0.0246 0.0142-0.0000 ( 1393 PWs) bands (ev): -69.4037 -69.4037 -37.7750 -37.7750 -25.6082 -25.6082 -25.5458 -25.5458 -4.4473 -4.4473 5.6146 5.6146 5.7738 5.7738 10.1419 10.1419 10.3327 10.3327 13.9298 13.9298 14.4060 14.4060 14.7880 14.7880 16.7027 16.7027 17.2551 17.2551 20.1424 20.1424 20.2498 20.2498 20.4039 20.4039 k = 0.0328 0.0189-0.0000 ( 1393 PWs) bands (ev): -69.4037 -69.4037 -37.7752 -37.7752 -25.6084 -25.6084 -25.5470 -25.5470 -4.4432 -4.4432 5.6100 5.6100 5.7814 5.7814 10.1336 10.1336 10.3287 10.3287 13.9266 13.9266 14.4023 14.4023 14.7810 14.7810 16.7063 16.7063 17.2562 17.2562 20.1516 20.1516 20.2717 20.2717 20.4103 20.4103 k = 0.0410 0.0237-0.0000 ( 1393 PWs) bands (ev): -69.4036 -69.4036 -37.7755 -37.7755 -25.6086 -25.6086 -25.5485 -25.5485 -4.4379 -4.4379 5.6042 5.6042 5.7911 5.7911 10.1215 10.1215 10.3252 10.3252 13.9222 13.9222 14.3978 14.3978 14.7721 14.7721 16.7110 16.7110 17.2578 17.2578 20.1596 20.1596 20.3016 20.3016 20.4202 20.4202 k = 0.0492 0.0284-0.0000 ( 1393 PWs) bands (ev): -69.4035 -69.4035 -37.7759 -37.7759 -25.6089 -25.6089 -25.5502 -25.5502 -4.4315 -4.4315 5.5973 5.5973 5.8028 5.8028 10.1047 10.1047 10.3233 10.3233 13.9165 13.9165 14.3924 14.3924 14.7614 14.7614 16.7167 16.7167 17.2600 17.2600 20.1653 20.1653 20.3392 20.3392 20.4351 20.4351 k = 0.0574 0.0331-0.0000 ( 1393 PWs) bands (ev): -69.4033 -69.4033 -37.7764 -37.7764 -25.6093 -25.6093 -25.5523 -25.5523 -4.4240 -4.4240 5.5892 5.5892 5.8165 5.8165 10.0828 10.0828 10.3235 10.3235 13.9095 13.9095 14.3863 14.3863 14.7489 14.7489 16.7233 16.7233 17.2629 17.2629 20.1682 20.1682 20.3816 20.3816 20.4579 20.4579 k = 0.0656 0.0379-0.0000 ( 1393 PWs) bands (ev): -69.4032 -69.4032 -37.7769 -37.7769 -25.6098 -25.6098 -25.5546 -25.5546 -4.4153 -4.4153 5.5800 5.5800 5.8321 5.8321 10.0555 10.0555 10.3262 10.3262 13.9009 13.9009 14.3796 14.3796 14.7348 14.7348 16.7308 16.7308 17.2665 17.2665 20.1682 20.1682 20.4233 20.4233 20.4941 20.4941 k = 0.0738 0.0426-0.0000 ( 1393 PWs) bands (ev): -69.4030 -69.4030 -37.7776 -37.7776 -25.6104 -25.6104 -25.5572 -25.5572 -4.4055 -4.4055 5.5698 5.5698 5.8495 5.8495 10.0232 10.0232 10.3315 10.3315 13.8907 13.8907 14.3724 14.3724 14.7194 14.7194 16.7391 16.7391 17.2710 17.2710 20.1655 20.1655 20.4598 20.4598 20.5475 20.5475 k = 0.0820 0.0473-0.0000 ( 1395 PWs) bands (ev): -69.4028 -69.4028 -37.7782 -37.7782 -25.6111 -25.6111 -25.5600 -25.5600 -4.3947 -4.3947 5.5586 5.5586 5.8687 5.8687 9.9861 9.9861 10.3392 10.3392 13.8786 13.8786 14.3646 14.3646 14.7027 14.7027 16.7482 16.7482 17.2765 17.2765 20.1605 20.1605 20.4938 20.4938 20.6149 20.6149 k = 0.0902 0.0521-0.0000 ( 1395 PWs) bands (ev): -69.4026 -69.4026 -37.7790 -37.7790 -25.6120 -25.6120 -25.5630 -25.5630 -4.3828 -4.3828 5.5464 5.5464 5.8897 5.8897 9.9448 9.9448 10.3490 10.3490 13.8646 13.8646 14.3561 14.3561 14.6852 14.6852 16.7579 16.7579 17.2831 17.2831 20.1537 20.1537 20.5287 20.5287 20.6921 20.6921 k = 0.0984 0.0568-0.0000 ( 1395 PWs) bands (ev): -69.4024 -69.4024 -37.7798 -37.7798 -25.6131 -25.6131 -25.5661 -25.5661 -4.3699 -4.3699 5.5333 5.5333 5.9123 5.9123 9.8997 9.8997 10.3607 10.3607 13.8487 13.8487 14.3469 14.3469 14.6671 14.6671 16.7682 16.7682 17.2908 17.2908 20.1454 20.1454 20.5659 20.5659 20.7770 20.7770 k = 0.1066 0.0615-0.0000 ( 1387 PWs) bands (ev): -69.4021 -69.4021 -37.7806 -37.7806 -25.6143 -25.6143 -25.5693 -25.5693 -4.3560 -4.3560 5.5193 5.5193 5.9365 5.9365 9.8513 9.8513 10.3741 10.3741 13.8308 13.8308 14.3369 14.3369 14.6489 14.6489 16.7790 16.7790 17.2999 17.2999 20.1361 20.1361 20.6058 20.6058 20.8685 20.8685 k = 0.1148 0.0663-0.0000 ( 1387 PWs) bands (ev): -69.4019 -69.4019 -37.7815 -37.7815 -25.6159 -25.6159 -25.5725 -25.5725 -4.3411 -4.3411 5.5045 5.5045 5.9622 5.9622 9.8000 9.8000 10.3890 10.3890 13.8109 13.8109 14.3256 14.3256 14.6309 14.6309 16.7902 16.7902 17.3100 17.3100 20.1261 20.1261 20.6485 20.6485 20.9657 20.9657 k = 0.1230 0.0710-0.0000 ( 1391 PWs) bands (ev): -69.4016 -69.4016 -37.7825 -37.7825 -25.6178 -25.6178 -25.5757 -25.5757 -4.3253 -4.3253 5.4889 5.4889 5.9893 5.9893 9.7461 9.7461 10.4052 10.4052 13.7892 13.7892 14.3128 14.3128 14.6136 14.6136 16.8015 16.8015 17.3214 17.3214 20.1159 20.1159 20.6937 20.6937 21.0682 21.0682 k = 0.1311 0.0757-0.0000 ( 1389 PWs) bands (ev): -69.4013 -69.4013 -37.7835 -37.7835 -25.6201 -25.6201 -25.5787 -25.5787 -4.3087 -4.3087 5.4726 5.4726 6.0177 6.0177 9.6901 9.6901 10.4226 10.4226 13.7658 13.7658 14.2983 14.2983 14.5975 14.5975 16.8132 16.8132 17.3340 17.3340 20.1057 20.1057 20.7413 20.7413 21.1755 21.1755 k = 0.1393 0.0805-0.0000 ( 1389 PWs) bands (ev): -69.4011 -69.4011 -37.7846 -37.7846 -25.6229 -25.6229 -25.5816 -25.5816 -4.2912 -4.2912 5.4555 5.4555 6.0473 6.0473 9.6324 9.6324 10.4412 10.4412 13.7407 13.7407 14.2819 14.2819 14.5828 14.5828 16.8249 16.8249 17.3478 17.3478 20.0960 20.0960 20.7910 20.7910 21.2872 21.2872 k = 0.1475 0.0852-0.0000 ( 1385 PWs) bands (ev): -69.4007 -69.4007 -37.7857 -37.7857 -25.6261 -25.6261 -25.5841 -25.5841 -4.2728 -4.2728 5.4379 5.4379 6.0780 6.0780 9.5731 9.5731 10.4607 10.4607 13.7141 13.7141 14.2634 14.2634 14.5697 14.5697 16.8369 16.8369 17.3626 17.3626 20.0869 20.0869 20.8428 20.8428 21.4028 21.4028 k = 0.1557 0.0899-0.0000 ( 1377 PWs) bands (ev): -69.4004 -69.4004 -37.7869 -37.7869 -25.6298 -25.6298 -25.5864 -25.5864 -4.2537 -4.2537 5.4197 5.4197 6.1096 6.1096 9.5127 9.5127 10.4811 10.4811 13.6864 13.6864 14.2429 14.2429 14.5585 14.5585 16.8490 16.8490 17.3784 17.3784 20.0787 20.0787 20.8963 20.8963 21.5218 21.5218 k = 0.1639 0.0946-0.0000 ( 1377 PWs) bands (ev): -69.4001 -69.4001 -37.7881 -37.7881 -25.6340 -25.6340 -25.5884 -25.5884 -4.2339 -4.2339 5.4010 5.4010 6.1421 6.1421 9.4514 9.4514 10.5023 10.5023 13.6574 13.6574 14.2205 14.2205 14.5488 14.5488 16.8612 16.8612 17.3950 17.3950 20.0715 20.0715 20.9513 20.9513 21.6440 21.6440 k = 0.1721 0.0994-0.0000 ( 1374 PWs) bands (ev): -69.3997 -69.3997 -37.7894 -37.7894 -25.6387 -25.6387 -25.5902 -25.5902 -4.2134 -4.2134 5.3818 5.3818 6.1753 6.1753 9.3895 9.3895 10.5242 10.5242 13.6275 13.6275 14.1965 14.1965 14.5406 14.5406 16.8735 16.8735 17.4124 17.4124 20.0657 20.0657 21.0077 21.0077 21.7689 21.7689 k = 0.1803 0.1041-0.0000 ( 1374 PWs) bands (ev): -69.3993 -69.3993 -37.7907 -37.7907 -25.6439 -25.6439 -25.5916 -25.5916 -4.1923 -4.1923 5.3622 5.3622 6.2091 6.2091 9.3272 9.3272 10.5466 10.5466 13.5969 13.5969 14.1712 14.1712 14.5336 14.5336 16.8860 16.8860 17.4303 17.4303 20.0613 20.0613 21.0652 21.0652 21.8961 21.8961 k = 0.1885 0.1088-0.0000 ( 1374 PWs) bands (ev): -69.3990 -69.3990 -37.7920 -37.7920 -25.6494 -25.6494 -25.5929 -25.5929 -4.1707 -4.1707 5.3423 5.3423 6.2432 6.2432 9.2648 9.2648 10.5695 10.5695 13.5656 13.5656 14.1450 14.1450 14.5276 14.5276 16.8987 16.8987 17.4487 17.4487 20.0586 20.0586 21.1237 21.1237 22.0251 22.0251 k = 0.1967 0.1136-0.0000 ( 1378 PWs) bands (ev): -69.3986 -69.3986 -37.7933 -37.7933 -25.6552 -25.6552 -25.5940 -25.5940 -4.1485 -4.1485 5.3221 5.3221 6.2776 6.2776 9.2026 9.2026 10.5928 10.5928 13.5340 13.5340 14.1183 14.1183 14.5222 14.5222 16.9117 16.9117 17.4673 17.4673 20.0577 20.0577 21.1830 21.1830 22.1556 22.1556 k = 0.2049 0.1183-0.0000 ( 1378 PWs) bands (ev): -69.3982 -69.3982 -37.7947 -37.7947 -25.6613 -25.6613 -25.5949 -25.5949 -4.1258 -4.1258 5.3017 5.3017 6.3121 6.3121 9.1407 9.1407 10.6165 10.6165 13.5021 13.5021 14.0914 14.0914 14.5173 14.5173 16.9249 16.9249 17.4861 17.4861 20.0586 20.0586 21.2428 21.2428 22.2870 22.2870 k = 0.2131 0.1230-0.0000 ( 1374 PWs) bands (ev): -69.3979 -69.3979 -37.7961 -37.7961 -25.6676 -25.6676 -25.5957 -25.5957 -4.1028 -4.1028 5.2811 5.2811 6.3466 6.3466 9.0793 9.0793 10.6405 10.6405 13.4700 13.4700 14.0647 14.0647 14.5126 14.5126 16.9386 16.9386 17.5050 17.5050 20.0615 20.0615 21.3032 21.3032 22.4190 22.4190 k = 0.2213 0.1278-0.0000 ( 1378 PWs) bands (ev): -69.3975 -69.3975 -37.7975 -37.7975 -25.6741 -25.6741 -25.5964 -25.5964 -4.0794 -4.0794 5.2604 5.2604 6.3808 6.3808 9.0188 9.0188 10.6645 10.6645 13.4380 13.4380 14.0385 14.0385 14.5078 14.5078 16.9526 16.9526 17.5238 17.5238 20.0663 20.0663 21.3637 21.3637 22.5509 22.5509 k = 0.2295 0.1325-0.0000 ( 1374 PWs) bands (ev): -69.3971 -69.3971 -37.7989 -37.7989 -25.6807 -25.6807 -25.5970 -25.5970 -4.0557 -4.0557 5.2397 5.2397 6.4145 6.4145 8.9592 8.9592 10.6887 10.6887 13.4061 13.4061 14.0131 14.0131 14.5030 14.5030 16.9670 16.9670 17.5426 17.5426 20.0732 20.0732 21.4244 21.4244 22.6825 22.6825 k = 0.2377 0.1372-0.0000 ( 1374 PWs) bands (ev): -69.3967 -69.3967 -37.8004 -37.8004 -25.6875 -25.6875 -25.5975 -25.5975 -4.0317 -4.0317 5.2190 5.2190 6.4477 6.4477 8.9008 8.9008 10.7129 10.7129 13.3745 13.3745 13.9888 13.9888 14.4979 14.4979 16.9818 16.9818 17.5611 17.5611 20.0821 20.0821 21.4850 21.4850 22.8130 22.8130 k = 0.2459 0.1420-0.0000 ( 1374 PWs) bands (ev): -69.3963 -69.3963 -37.8018 -37.8018 -25.6943 -25.6943 -25.5980 -25.5980 -4.0076 -4.0076 5.1983 5.1983 6.4801 6.4801 8.8438 8.8438 10.7370 10.7370 13.3432 13.3432 13.9657 13.9657 14.4924 14.4924 16.9970 16.9970 17.5793 17.5793 20.0931 20.0931 21.5454 21.5454 22.9419 22.9419 k = 0.2541 0.1467-0.0000 ( 1370 PWs) bands (ev): -69.3959 -69.3959 -37.8032 -37.8032 -25.7011 -25.7011 -25.5984 -25.5984 -3.9834 -3.9834 5.1777 5.1777 6.5115 6.5115 8.7883 8.7883 10.7610 10.7610 13.3124 13.3124 13.9441 13.9441 14.4865 14.4865 17.0127 17.0127 17.5972 17.5972 20.1060 20.1060 21.6054 21.6054 23.0686 23.0686 k = 0.2623 0.1514-0.0000 ( 1368 PWs) bands (ev): -69.3955 -69.3955 -37.8047 -37.8047 -25.7080 -25.7080 -25.5988 -25.5988 -3.9592 -3.9592 5.1574 5.1574 6.5419 6.5419 8.7344 8.7344 10.7848 10.7848 13.2820 13.2820 13.9241 13.9241 14.4802 14.4802 17.0288 17.0288 17.6148 17.6148 20.1208 20.1208 21.6650 21.6650 23.1925 23.1925 k = 0.2705 0.1562-0.0000 ( 1368 PWs) bands (ev): -69.3951 -69.3951 -37.8061 -37.8061 -25.7148 -25.7148 -25.5992 -25.5992 -3.9349 -3.9349 5.1372 5.1372 6.5709 6.5709 8.6824 8.6824 10.8083 10.8083 13.2522 13.2522 13.9059 13.9059 14.4734 14.4734 17.0451 17.0451 17.6319 17.6319 20.1375 20.1375 21.7238 21.7238 23.3128 23.3128 k = 0.2787 0.1609-0.0000 ( 1368 PWs) bands (ev): -69.3947 -69.3947 -37.8075 -37.8075 -25.7217 -25.7217 -25.5995 -25.5995 -3.9108 -3.9108 5.1173 5.1173 6.5986 6.5986 8.6324 8.6324 10.8314 10.8314 13.2229 13.2229 13.8897 13.8897 14.4661 14.4661 17.0618 17.0618 17.6488 17.6488 20.1559 20.1559 21.7819 21.7819 23.4290 23.4290 k = 0.2869 0.1656-0.0000 ( 1364 PWs) bands (ev): -69.3943 -69.3943 -37.8090 -37.8090 -25.7284 -25.7284 -25.5998 -25.5998 -3.8868 -3.8868 5.0977 5.0977 6.6246 6.6246 8.5844 8.5844 10.8541 10.8541 13.1944 13.1944 13.8756 13.8756 14.4585 14.4585 17.0787 17.0787 17.6652 17.6652 20.1760 20.1760 21.8391 21.8391 23.5402 23.5402 k = 0.2951 0.1704-0.0000 ( 1360 PWs) bands (ev): -69.3939 -69.3939 -37.8103 -37.8103 -25.7351 -25.7351 -25.6001 -25.6001 -3.8629 -3.8629 5.0784 5.0784 6.6490 6.6490 8.5388 8.5388 10.8764 10.8764 13.1666 13.1666 13.8635 13.8635 14.4504 14.4504 17.0958 17.0958 17.6814 17.6814 20.1976 20.1976 21.8952 21.8952 23.6456 23.6456 k = 0.3033 0.1751-0.0000 ( 1364 PWs) bands (ev): -69.3935 -69.3935 -37.8117 -37.8117 -25.7418 -25.7418 -25.6004 -25.6004 -3.8394 -3.8394 5.0596 5.0596 6.6715 6.6715 8.4954 8.4954 10.8980 10.8980 13.1395 13.1395 13.8536 13.8536 14.4419 14.4419 17.1130 17.1130 17.6972 17.6972 20.2205 20.2205 21.9502 21.9502 23.7445 23.7445 k = 0.3115 0.1798-0.0000 ( 1366 PWs) bands (ev): -69.3932 -69.3932 -37.8131 -37.8131 -25.7483 -25.7483 -25.6006 -25.6006 -3.8162 -3.8162 5.0412 5.0412 6.6921 6.6921 8.4544 8.4544 10.9191 10.9191 13.1131 13.1131 13.8459 13.8459 14.4331 14.4331 17.1301 17.1301 17.7127 17.7127 20.2446 20.2446 22.0038 22.0038 23.8362 23.8362 k = 0.3197 0.1846-0.0000 ( 1372 PWs) bands (ev): -69.3928 -69.3928 -37.8144 -37.8144 -25.7547 -25.7547 -25.6008 -25.6008 -3.7935 -3.7935 5.0233 5.0233 6.7107 6.7107 8.4159 8.4159 10.9396 10.9396 13.0876 13.0876 13.8404 13.8404 14.4241 14.4241 17.1471 17.1471 17.7279 17.7279 20.2697 20.2697 22.0560 22.0560 23.9197 23.9197 k = 0.3279 0.1893-0.0000 ( 1376 PWs) bands (ev): -69.3925 -69.3925 -37.8157 -37.8157 -25.7609 -25.7609 -25.6011 -25.6011 -3.7712 -3.7712 5.0059 5.0059 6.7273 6.7273 8.3799 8.3799 10.9593 10.9593 13.0629 13.0629 13.8369 13.8369 14.4149 14.4149 17.1638 17.1638 17.7430 17.7430 20.2956 20.2956 22.1068 22.1068 23.9946 23.9946 k = 0.3361 0.1940-0.0000 ( 1378 PWs) bands (ev): -69.3921 -69.3921 -37.8170 -37.8170 -25.7670 -25.7670 -25.6012 -25.6012 -3.7494 -3.7494 4.9891 4.9891 6.7419 6.7419 8.3464 8.3464 10.9784 10.9784 13.0391 13.0391 13.8356 13.8356 14.4057 14.4057 17.1802 17.1802 17.7578 17.7578 20.3223 20.3223 22.1559 22.1559 24.0603 24.0603 k = 0.3443 0.1988-0.0000 ( 1378 PWs) bands (ev): -69.3918 -69.3918 -37.8182 -37.8182 -25.7728 -25.7728 -25.6014 -25.6014 -3.7282 -3.7282 4.9729 4.9729 6.7544 6.7544 8.3155 8.3155 10.9967 10.9967 13.0162 13.0162 13.8362 13.8362 14.3966 14.3966 17.1961 17.1961 17.7726 17.7726 20.3494 20.3494 22.2032 22.2032 24.1163 24.1163 k = 0.3525 0.2035-0.0000 ( 1372 PWs) bands (ev): -69.3915 -69.3915 -37.8194 -37.8194 -25.7785 -25.7785 -25.6016 -25.6016 -3.7077 -3.7077 4.9573 4.9573 6.7650 6.7650 8.2871 8.2871 11.0141 11.0141 12.9943 12.9943 13.8386 13.8386 14.3876 14.3876 17.2116 17.2116 17.7873 17.7873 20.3768 20.3768 22.2488 22.2488 24.1625 24.1625 k = 0.3607 0.2082-0.0000 ( 1380 PWs) bands (ev): -69.3912 -69.3912 -37.8205 -37.8205 -25.7840 -25.7840 -25.6018 -25.6018 -3.6879 -3.6879 4.9423 4.9423 6.7737 6.7737 8.2611 8.2611 11.0307 11.0307 12.9733 12.9733 13.8426 13.8426 14.3787 14.3787 17.2261 17.2261 17.8018 17.8018 20.4043 20.4043 22.2924 22.2924 24.1990 24.1990 k = 0.3689 0.2130-0.0000 ( 1384 PWs) bands (ev): -69.3909 -69.3909 -37.8216 -37.8216 -25.7892 -25.7892 -25.6019 -25.6019 -3.6688 -3.6688 4.9281 4.9281 6.7805 6.7805 8.2376 8.2376 11.0465 11.0465 12.9532 12.9532 13.8481 13.8481 14.3700 14.3700 17.2400 17.2400 17.8161 17.8161 20.4315 20.4315 22.3340 22.3340 24.2260 24.2260 k = 0.3770 0.2177-0.0000 ( 1384 PWs) bands (ev): -69.3906 -69.3906 -37.8227 -37.8227 -25.7942 -25.7942 -25.6021 -25.6021 -3.6506 -3.6506 4.9146 4.9146 6.7857 6.7857 8.2163 8.2163 11.0615 11.0615 12.9343 12.9343 13.8549 13.8549 14.3618 14.3618 17.2531 17.2531 17.8304 17.8304 20.4585 20.4585 22.3735 22.3735 24.2442 24.2442 k = 0.3852 0.2224-0.0000 ( 1380 PWs) bands (ev): -69.3903 -69.3903 -37.8236 -37.8236 -25.7989 -25.7989 -25.6022 -25.6022 -3.6333 -3.6333 4.9018 4.9018 6.7894 6.7894 8.1972 8.1972 11.0755 11.0755 12.9165 12.9165 13.8627 13.8627 14.3540 14.3540 17.2653 17.2653 17.8445 17.8445 20.4849 20.4849 22.4109 22.4109 24.2542 24.2542 k = 0.3934 0.2272-0.0000 ( 1380 PWs) bands (ev): -69.3901 -69.3901 -37.8246 -37.8246 -25.8033 -25.8033 -25.6023 -25.6023 -3.6170 -3.6170 4.8898 4.8898 6.7918 6.7918 8.1802 8.1802 11.0886 11.0886 12.8997 12.8997 13.8712 13.8712 14.3468 14.3468 17.2765 17.2765 17.8583 17.8583 20.5106 20.5106 22.4461 22.4461 24.2570 24.2570 k = 0.4016 0.2319-0.0000 ( 1372 PWs) bands (ev): -69.3898 -69.3898 -37.8254 -37.8254 -25.8074 -25.8074 -25.6024 -25.6024 -3.6016 -3.6016 4.8786 4.8786 6.7930 6.7930 8.1652 8.1652 11.1008 11.1008 12.8840 12.8840 13.8803 13.8803 14.3402 14.3402 17.2868 17.2868 17.8718 17.8718 20.5354 20.5354 22.4789 22.4789 24.2537 24.2537 k = 0.4098 0.2366-0.0000 ( 1376 PWs) bands (ev): -69.3896 -69.3896 -37.8262 -37.8262 -25.8113 -25.8113 -25.6025 -25.6025 -3.5873 -3.5873 4.8682 4.8682 6.7932 6.7932 8.1519 8.1519 11.1120 11.1120 12.8695 12.8695 13.8895 13.8895 14.3341 14.3341 17.2960 17.2960 17.8849 17.8849 20.5588 20.5588 22.5093 22.5093 24.2454 24.2454 k = 0.4180 0.2414-0.0000 ( 1374 PWs) bands (ev): -69.3894 -69.3894 -37.8270 -37.8270 -25.8148 -25.8148 -25.6026 -25.6026 -3.5740 -3.5740 4.8587 4.8587 6.7926 6.7926 8.1403 8.1403 11.1223 11.1223 12.8562 12.8562 13.8988 13.8988 14.3288 14.3288 17.3042 17.3042 17.8974 17.8974 20.5810 20.5810 22.5373 22.5373 24.2334 24.2334 k = 0.4262 0.2461-0.0000 ( 1374 PWs) bands (ev): -69.3892 -69.3892 -37.8277 -37.8277 -25.8181 -25.8181 -25.6027 -25.6027 -3.5619 -3.5619 4.8500 4.8500 6.7914 6.7914 8.1302 8.1302 11.1317 11.1317 12.8440 12.8440 13.9079 13.9079 14.3242 14.3242 17.3115 17.3115 17.9093 17.9093 20.6017 20.6017 22.5628 22.5628 24.2187 24.2187 k = 0.4344 0.2508-0.0000 ( 1376 PWs) bands (ev): -69.3890 -69.3890 -37.8283 -37.8283 -25.8210 -25.8210 -25.6027 -25.6027 -3.5509 -3.5509 4.8422 4.8422 6.7898 6.7898 8.1215 8.1215 11.1400 11.1400 12.8331 12.8331 13.9165 13.9165 14.3202 14.3202 17.3178 17.3178 17.9203 17.9203 20.6207 20.6207 22.5857 22.5857 24.2024 24.2024 k = 0.4426 0.2555-0.0000 ( 1380 PWs) bands (ev): -69.3889 -69.3889 -37.8288 -37.8288 -25.8237 -25.8237 -25.6028 -25.6028 -3.5412 -3.5412 4.8353 4.8353 6.7880 6.7880 8.1142 8.1142 11.1474 11.1474 12.8234 12.8234 13.9245 13.9245 14.3169 14.3169 17.3232 17.3232 17.9303 17.9303 20.6378 20.6378 22.6060 22.6060 24.1856 24.1856 k = 0.4508 0.2603-0.0000 ( 1382 PWs) bands (ev): -69.3888 -69.3888 -37.8293 -37.8293 -25.8259 -25.8259 -25.6029 -25.6029 -3.5327 -3.5327 4.8292 4.8292 6.7861 6.7861 8.1080 8.1080 11.1538 11.1538 12.8149 12.8149 13.9317 13.9317 14.3143 14.3143 17.3278 17.3278 17.9394 17.9394 20.6530 20.6530 22.6237 22.6237 24.1692 24.1692 k = 0.4590 0.2650-0.0000 ( 1382 PWs) bands (ev): -69.3887 -69.3887 -37.8297 -37.8297 -25.8279 -25.8279 -25.6029 -25.6029 -3.5254 -3.5254 4.8241 4.8241 6.7842 6.7842 8.1029 8.1029 11.1592 11.1592 12.8078 12.8078 13.9379 13.9379 14.3122 14.3122 17.3315 17.3315 17.9473 17.9473 20.6660 20.6660 22.6388 22.6388 24.1539 24.1539 k = 0.4672 0.2697-0.0000 ( 1386 PWs) bands (ev): -69.3886 -69.3886 -37.8301 -37.8301 -25.8295 -25.8295 -25.6029 -25.6029 -3.5195 -3.5195 4.8199 4.8199 6.7825 6.7825 8.0989 8.0989 11.1636 11.1636 12.8019 12.8019 13.9431 13.9431 14.3107 14.3107 17.3345 17.3345 17.9539 17.9539 20.6768 20.6768 22.6511 22.6511 24.1405 24.1405 k = 0.4754 0.2745-0.0000 ( 1390 PWs) bands (ev): -69.3885 -69.3885 -37.8303 -37.8303 -25.8308 -25.8308 -25.6030 -25.6030 -3.5148 -3.5148 4.8166 4.8166 6.7811 6.7811 8.0958 8.0958 11.1671 11.1671 12.7973 12.7973 13.9473 13.9473 14.3096 14.3096 17.3367 17.3367 17.9591 17.9591 20.6854 20.6854 22.6608 22.6608 24.1294 24.1294 k = 0.4836 0.2792-0.0000 ( 1386 PWs) bands (ev): -69.3885 -69.3885 -37.8305 -37.8305 -25.8316 -25.8316 -25.6030 -25.6030 -3.5115 -3.5115 4.8143 4.8143 6.7800 6.7800 8.0937 8.0937 11.1696 11.1696 12.7940 12.7940 13.9503 13.9503 14.3089 14.3089 17.3384 17.3384 17.9629 17.9629 20.6916 20.6916 22.6677 22.6677 24.1213 24.1213 k = 0.4918 0.2839-0.0000 ( 1382 PWs) bands (ev): -69.3884 -69.3884 -37.8306 -37.8306 -25.8321 -25.8321 -25.6030 -25.6030 -3.5095 -3.5095 4.8129 4.8129 6.7793 6.7793 8.0924 8.0924 11.1710 11.1710 12.7920 12.7920 13.9521 13.9521 14.3085 14.3085 17.3394 17.3394 17.9653 17.9653 20.6953 20.6953 22.6718 22.6718 24.1162 24.1162 k = 0.5000 0.2887-0.0000 ( 1382 PWs) bands (ev): -69.3884 -69.3884 -37.8307 -37.8307 -25.8323 -25.8323 -25.6030 -25.6030 -3.5088 -3.5088 4.8124 4.8124 6.7791 6.7791 8.0920 8.0920 11.1715 11.1715 12.7914 12.7914 13.9527 13.9527 14.3084 14.3084 17.3397 17.3397 17.9661 17.9661 20.6965 20.6965 22.6732 22.6732 24.1145 24.1145 k = 0.5000 0.2887-0.0000 ( 1382 PWs) bands (ev): -69.3884 -69.3884 -37.8307 -37.8307 -25.8323 -25.8323 -25.6030 -25.6030 -3.5088 -3.5088 4.8124 4.8124 6.7791 6.7791 8.0920 8.0920 11.1715 11.1715 12.7914 12.7914 13.9527 13.9527 14.3084 14.3084 17.3397 17.3397 17.9661 17.9661 20.6965 20.6965 22.6732 22.6732 24.1145 24.1145 k = 0.4952 0.2969-0.0000 ( 1382 PWs) bands (ev): -69.3884 -69.3884 -37.8309 -37.8305 -25.8331 -25.8314 -25.6032 -25.6030 -3.5105 -3.5066 4.8115 4.8135 6.7780 6.7826 8.0913 8.0931 11.1587 11.1784 12.7658 12.8034 13.9402 13.9674 14.3025 14.3296 17.3043 17.3759 17.9127 18.0204 20.6800 20.7067 22.6617 22.6888 24.1156 24.1184 k = 0.4905 0.3052-0.0000 ( 1382 PWs) bands (ev): -69.3884 -69.3884 -37.8311 -37.8303 -25.8339 -25.8305 -25.6036 -25.6032 -3.5119 -3.5040 4.8106 4.8146 6.7793 6.7886 8.0912 8.0947 11.1400 11.1791 12.7285 12.8010 13.9341 13.9796 14.3151 14.3628 17.2697 17.4128 17.8603 18.0756 20.6574 20.7104 22.6545 22.7081 24.1218 24.1272 k = 0.4857 0.3134-0.0000 ( 1386 PWs) bands (ev): -69.3884 -69.3884 -37.8313 -37.8302 -25.8346 -25.8296 -25.6042 -25.6035 -3.5128 -3.5011 4.8099 4.8159 6.7830 6.7970 8.0916 8.0966 11.1156 11.1738 12.6815 12.7843 13.9361 13.9857 14.3478 14.4058 17.2357 17.4501 17.8091 18.1316 20.6290 20.7075 22.6516 22.7309 24.1328 24.1410 k = 0.4810 0.3217-0.0000 ( 1382 PWs) bands (ev): -69.3884 -69.3884 -37.8316 -37.8301 -25.8353 -25.8285 -25.6049 -25.6040 -3.5133 -3.4977 4.8093 4.8173 6.7890 6.8078 8.0925 8.0991 11.0858 11.1623 12.6269 12.7546 13.9464 13.9857 14.3987 14.4573 17.2023 17.4868 17.7605 18.1887 20.5953 20.6981 22.6530 22.7568 24.1487 24.1596 k = 0.4762 0.3299-0.0000 ( 1382 PWs) bands (ev): -69.3883 -69.3883 -37.8319 -37.8300 -25.8359 -25.8275 -25.6058 -25.6047 -3.5134 -3.4940 4.8088 4.8188 6.7973 6.8209 8.0940 8.1020 11.0508 11.1449 12.5666 12.7140 13.9636 13.9814 14.4639 14.5162 17.1692 17.5199 17.7171 18.2467 20.5567 20.6824 22.6585 22.7853 24.1693 24.1829 k = 0.4714 0.3382-0.0000 ( 1378 PWs) bands (ev): -69.3883 -69.3883 -37.8322 -37.8300 -25.8365 -25.8263 -25.6069 -25.6056 -3.5131 -3.4899 4.8084 4.8203 6.8077 6.8364 8.0962 8.1053 11.0109 11.1216 12.5022 12.6646 13.9752 13.9861 14.5397 14.5820 17.1364 17.5403 17.6878 18.3056 20.5137 20.6607 22.6679 22.8161 24.1945 24.2108 k = 0.4667 0.3464-0.0000 ( 1378 PWs) bands (ev): -69.3882 -69.3882 -37.8325 -37.8300 -25.8370 -25.8252 -25.6082 -25.6066 -3.5124 -3.4855 4.8081 4.8219 6.8202 6.8541 8.0991 8.1091 10.9664 11.0927 12.4350 12.6087 13.9687 14.0122 14.6230 14.6537 17.1036 17.5321 17.6886 18.3655 20.4666 20.6334 22.6809 22.8487 24.2240 24.2430 k = 0.4619 0.3547-0.0000 ( 1382 PWs) bands (ev): -69.3882 -69.3882 -37.8328 -37.8300 -25.8375 -25.8240 -25.6097 -25.6077 -3.5114 -3.4807 4.8078 4.8236 6.8346 6.8740 8.1027 8.1133 10.9176 11.0584 12.3660 12.5482 13.9628 14.0408 14.7119 14.7308 17.0705 17.4974 17.7171 18.4262 20.4160 20.6009 22.6970 22.8827 24.2577 24.2793 k = 0.4571 0.3629-0.0000 ( 1378 PWs) bands (ev): -69.3881 -69.3881 -37.8332 -37.8300 -25.8380 -25.8227 -25.6113 -25.6090 -3.5099 -3.4757 4.8077 4.8254 6.8508 6.8959 8.1071 8.1181 10.8648 11.0191 12.2962 12.4845 13.9582 14.0708 14.8047 14.8126 17.0373 17.4513 17.7583 18.4878 20.3622 20.5638 22.7159 22.9178 24.2954 24.3196 k = 0.4524 0.3712-0.0000 ( 1378 PWs) bands (ev): -69.3881 -69.3881 -37.8336 -37.8300 -25.8384 -25.8214 -25.6131 -25.6104 -3.5081 -3.4703 4.8076 4.8271 6.8687 6.9198 8.1124 8.1234 10.8085 10.9750 12.2262 12.4191 13.9552 14.1017 14.8982 14.9002 17.0036 17.4005 17.8050 18.5502 20.3058 20.5225 22.7372 22.9535 24.3367 24.3634 k = 0.4476 0.3794-0.0000 ( 1382 PWs) bands (ev): -69.3880 -69.3880 -37.8340 -37.8301 -25.8388 -25.8201 -25.6151 -25.6119 -3.5060 -3.4648 4.8075 4.8289 6.8881 6.9455 8.1187 8.1293 10.7489 10.9266 12.1566 12.3529 13.9541 14.1330 14.9868 14.9977 16.9695 17.3473 17.8547 18.6132 20.2469 20.4775 22.7603 22.9896 24.3813 24.4104 k = 0.4429 0.3876-0.0000 ( 1390 PWs) bands (ev): -69.3880 -69.3880 -37.8344 -37.8302 -25.8393 -25.8188 -25.6171 -25.6135 -3.5036 -3.4590 4.8076 4.8307 6.9088 6.9728 8.1261 8.1359 10.6864 10.8743 12.0877 12.2865 13.9548 14.1647 15.0780 15.0963 16.9346 17.2926 17.9064 18.6766 20.1862 20.4295 22.7849 23.0257 24.4289 24.4604 k = 0.4381 0.3959-0.0000 ( 1390 PWs) bands (ev): -69.3879 -69.3879 -37.8348 -37.8303 -25.8396 -25.8175 -25.6193 -25.6152 -3.5009 -3.4530 4.8076 4.8325 6.9305 7.0015 8.1346 8.1433 10.6213 10.8184 12.0201 12.2209 13.9575 14.1967 15.1709 15.1955 16.8992 17.2367 17.9595 18.7404 20.1240 20.3789 22.8107 23.0618 24.4792 24.5130 k = 0.4333 0.4041-0.0000 ( 1394 PWs) bands (ev): -69.3878 -69.3878 -37.8352 -37.8304 -25.8400 -25.8161 -25.6216 -25.6169 -3.4979 -3.4468 4.8077 4.8343 6.9532 7.0315 8.1445 8.1514 10.5541 10.7595 11.9541 12.1563 13.9621 14.2289 15.2649 15.2946 16.8630 17.1799 18.0135 18.8043 20.0605 20.3263 22.8372 23.0975 24.5319 24.5679 k = 0.4286 0.4124-0.0000 ( 1394 PWs) bands (ev): -69.3878 -69.3878 -37.8356 -37.8305 -25.8404 -25.8148 -25.6239 -25.6186 -3.4947 -3.4405 4.8078 4.8360 6.9764 7.0624 8.1556 8.1605 10.4849 10.6979 11.8900 12.0933 13.9686 14.2616 15.3596 15.3934 16.8262 17.1223 18.0682 18.8683 19.9962 20.2721 22.8642 23.1326 24.5865 24.6247 k = 0.4238 0.4206-0.0000 ( 1394 PWs) bands (ev): -69.3877 -69.3877 -37.8361 -37.8307 -25.8407 -25.8134 -25.6263 -25.6204 -3.4912 -3.4341 4.8078 4.8377 7.0001 7.0942 8.1683 8.1707 10.4143 10.6342 11.8279 12.0321 13.9769 14.2947 15.4542 15.4912 16.7888 17.0640 18.1232 18.9319 19.9314 20.2167 22.8914 23.1670 24.6428 24.6829 k = 0.4190 0.4289-0.0000 ( 1398 PWs) bands (ev): -69.3876 -69.3876 -37.8365 -37.8309 -25.8411 -25.8121 -25.6287 -25.6222 -3.4876 -3.4277 4.8079 4.8393 7.0239 7.1263 8.1820 8.1825 10.3425 10.5686 11.7681 11.9731 13.9869 14.3283 15.5483 15.5876 16.7507 17.0052 18.1782 18.9949 19.8664 20.1608 22.9184 23.2004 24.7004 24.7422 k = 0.4143 0.4371-0.0000 ( 1398 PWs) bands (ev): -69.3875 -69.3875 -37.8369 -37.8310 -25.8414 -25.8107 -25.6312 -25.6240 -3.4839 -3.4212 4.8080 4.8408 7.0475 7.1587 8.1946 8.1984 10.2698 10.5018 11.7108 11.9164 13.9985 14.3626 15.6412 15.6821 16.7123 16.9459 18.2329 19.0572 19.8015 20.1046 22.9451 23.2328 24.7588 24.8022 k = 0.4095 0.4454-0.0000 ( 1398 PWs) bands (ev): -69.3874 -69.3874 -37.8373 -37.8312 -25.8418 -25.8094 -25.6336 -25.6258 -3.4800 -3.4148 4.8080 4.8422 7.0708 7.1909 8.2087 8.2160 10.1966 10.4340 11.6561 11.8623 14.0117 14.3976 15.7326 15.7744 16.6735 16.8864 18.2869 19.1185 19.7372 20.0486 22.9712 23.2640 24.8177 24.8624 k = 0.4048 0.4536-0.0000 ( 1398 PWs) bands (ev): -69.3874 -69.3874 -37.8377 -37.8314 -25.8422 -25.8082 -25.6361 -25.6275 -3.4761 -3.4084 4.8080 4.8436 7.0935 7.2226 8.2245 8.2353 10.1233 10.3659 11.6042 11.8110 14.0262 14.4333 15.8217 15.8640 16.6346 16.8269 18.3400 19.1783 19.6737 19.9934 22.9966 23.2938 24.8769 24.9226 k = 0.4000 0.4619-0.0000 ( 1402 PWs) bands (ev): -69.3873 -69.3873 -37.8381 -37.8316 -25.8426 -25.8070 -25.6385 -25.6292 -3.4721 -3.4021 4.8079 4.8448 7.1152 7.2535 8.2419 8.2564 10.0501 10.2977 11.5552 11.7625 14.0419 14.4697 15.9079 15.9504 16.5957 16.7677 18.3919 19.2365 19.6115 19.9392 23.0210 23.3222 24.9358 24.9822 k = 0.3952 0.4701-0.0000 ( 1402 PWs) bands (ev): -69.3872 -69.3872 -37.8385 -37.8318 -25.8429 -25.8059 -25.6408 -25.6308 -3.4681 -3.3960 4.8078 4.8458 7.1359 7.2833 8.2612 8.2792 9.9775 10.2300 11.5092 11.7170 14.0587 14.5068 15.9907 16.0332 16.5572 16.7093 18.4422 19.2927 19.5509 19.8866 23.0443 23.3490 24.9942 25.0409 k = 0.3905 0.4784-0.0000 ( 1398 PWs) bands (ev): -69.3871 -69.3871 -37.8389 -37.8320 -25.8433 -25.8048 -25.6431 -25.6323 -3.4641 -3.3900 4.8076 4.8468 7.1553 7.3115 8.2825 8.3035 9.9059 10.1633 11.4664 11.6746 14.0764 14.5446 16.0690 16.1117 16.5194 16.6523 18.4907 19.3467 19.4923 19.8359 23.0665 23.3743 25.0518 25.0983 k = 0.3857 0.4866-0.0000 ( 1398 PWs) bands (ev): -69.3870 -69.3870 -37.8393 -37.8322 -25.8437 -25.8038 -25.6452 -25.6337 -3.4602 -3.3843 4.8074 4.8476 7.1733 7.3380 8.3056 8.3292 9.8355 10.0980 11.4268 11.6354 14.0946 14.5828 16.1415 16.1854 16.4828 16.5979 18.5369 19.3980 19.4362 19.7877 23.0873 23.3979 25.1082 25.1540 k = 0.3810 0.4949-0.0000 ( 1398 PWs) bands (ev): -69.3870 -69.3870 -37.8396 -37.8324 -25.8441 -25.8028 -25.6473 -25.6350 -3.4565 -3.3788 4.8071 4.8483 7.1897 7.3624 8.3305 8.3560 9.7670 10.0346 11.3904 11.5994 14.1131 14.6212 16.2059 16.2531 16.4484 16.5481 18.5806 19.3830 19.4462 19.7424 23.1067 23.4197 25.1631 25.2075 k = 0.3762 0.5031-0.0000 ( 1398 PWs) bands (ev): -69.3869 -69.3869 -37.8399 -37.8325 -25.8445 -25.8020 -25.6492 -25.6363 -3.4529 -3.3737 4.8068 4.8489 7.2044 7.3845 8.3570 8.3835 9.7007 9.9739 11.3574 11.5668 14.1317 14.6595 16.2576 16.3116 16.4193 16.5076 18.6215 19.3332 19.4911 19.7004 23.1246 23.4397 25.2161 25.2583 k = 0.3714 0.5114-0.0000 ( 1392 PWs) bands (ev): -69.3868 -69.3868 -37.8402 -37.8327 -25.8449 -25.8013 -25.6509 -25.6374 -3.4495 -3.3689 4.8065 4.8493 7.2175 7.4043 8.3847 8.4112 9.6373 9.9163 11.3278 11.5376 14.1501 14.6974 16.2870 16.3440 16.4125 16.4861 18.6594 19.2871 19.5321 19.6625 23.1409 23.4578 25.2667 25.3061 k = 0.3667 0.5196-0.0000 ( 1389 PWs) bands (ev): -69.3867 -69.3867 -37.8405 -37.8328 -25.8452 -25.8006 -25.6524 -25.6383 -3.4463 -3.3645 4.8061 4.8496 7.2289 7.4215 8.4132 8.4385 9.5774 9.8627 11.3017 11.5118 14.1677 14.7341 16.2852 16.3319 16.4463 16.4924 18.6938 19.2454 19.5675 19.6301 23.1555 23.4739 25.3146 25.3503 k = 0.3619 0.5279-0.0000 ( 1389 PWs) bands (ev): -69.3867 -69.3867 -37.8407 -37.8330 -25.8456 -25.8001 -25.6538 -25.6392 -3.4434 -3.3606 4.8057 4.8498 7.2385 7.4362 8.4416 8.4648 9.5219 9.8137 11.2790 11.4894 14.1843 14.7691 16.2609 16.3082 16.4878 16.5181 18.7244 19.2084 19.5838 19.6170 23.1683 23.4881 25.3590 25.3902 k = 0.3571 0.5361-0.0000 ( 1389 PWs) bands (ev): -69.3866 -69.3866 -37.8409 -37.8331 -25.8459 -25.7997 -25.6550 -25.6399 -3.4409 -3.3572 4.8053 4.8499 7.2465 7.4484 8.4691 8.4892 9.4717 9.7702 11.2599 11.4705 14.1994 14.8015 16.2288 16.2850 16.5253 16.5491 18.7510 19.1765 19.5658 19.6380 23.1792 23.5001 25.3992 25.4254 k = 0.3524 0.5444-0.0000 ( 1389 PWs) bands (ev): -69.3866 -69.3866 -37.8411 -37.8332 -25.8462 -25.7993 -25.6559 -25.6405 -3.4387 -3.3543 4.8049 4.8499 7.2529 7.4581 8.4945 8.5108 9.4280 9.7331 11.2442 11.4551 14.2126 14.8304 16.1969 16.2646 16.5565 16.5781 18.7734 19.1501 19.5460 19.6609 23.1883 23.5101 25.4344 25.4552 k = 0.3476 0.5526-0.0000 ( 1389 PWs) bands (ev): -69.3866 -69.3866 -37.8413 -37.8333 -25.8465 -25.7991 -25.6567 -25.6410 -3.4370 -3.3520 4.8046 4.8499 7.2577 7.4654 8.5164 8.5287 9.3920 9.7032 11.2320 11.4431 14.2235 14.8546 16.1690 16.2478 16.5810 16.6020 18.7911 19.1295 19.5302 19.6796 23.1955 23.5179 25.4634 25.4789 k = 0.3429 0.5609-0.0000 ( 1387 PWs) bands (ev): -69.3865 -69.3865 -37.8414 -37.8334 -25.8467 -25.7989 -25.6572 -25.6413 -3.4357 -3.3503 4.8043 4.8499 7.2611 7.4705 8.5334 8.5422 9.3651 9.6813 11.2234 11.4345 14.2316 14.8730 16.1474 16.2354 16.5984 16.6195 18.8040 19.1149 19.5189 19.6934 23.2007 23.5236 25.4852 25.4962 k = 0.3381 0.5691-0.0000 ( 1379 PWs) bands (ev): -69.3865 -69.3865 -37.8414 -37.8334 -25.8468 -25.7988 -25.6575 -25.6414 -3.4349 -3.3492 4.8042 4.8498 7.2631 7.4735 8.5442 8.5505 9.3484 9.6680 11.2183 11.4294 14.2368 14.8847 16.1338 16.2278 16.6088 16.6301 18.8118 19.1063 19.5123 19.7018 23.2039 23.5271 25.4986 25.5066 k = 0.3333 0.5774-0.0000 ( 1371 PWs) bands (ev): -69.3865 -69.3865 -37.8414 -37.8334 -25.8468 -25.7988 -25.6575 -25.6415 -3.4346 -3.3488 4.8041 4.8498 7.2638 7.4745 8.5479 8.5533 9.3428 9.6635 11.2166 11.4278 14.2386 14.8887 16.1291 16.2252 16.6122 16.6337 18.8145 19.1036 19.5103 19.7046 23.2050 23.5283 25.5031 25.5101 k = 0.3333 0.5774-0.0000 ( 1371 PWs) bands (ev): -69.3865 -69.3865 -37.8414 -37.8334 -25.8468 -25.7988 -25.6575 -25.6415 -3.4346 -3.3488 4.8041 4.8498 7.2638 7.4745 8.5479 8.5533 9.3428 9.6635 11.2166 11.4278 14.2386 14.8887 16.1291 16.2252 16.6122 16.6337 18.8145 19.1036 19.5103 19.7046 23.2050 23.5283 25.5031 25.5101 k = 0.3286 0.5691-0.0000 ( 1379 PWs) bands (ev): -69.3865 -69.3865 -37.8414 -37.8334 -25.8468 -25.7988 -25.6575 -25.6414 -3.4349 -3.3492 4.8042 4.8499 7.2631 7.4736 8.5442 8.5506 9.3483 9.6679 11.2183 11.4294 14.2367 14.8846 16.1339 16.2278 16.6089 16.6302 18.8118 19.1062 19.5122 19.7017 23.2039 23.5271 25.4988 25.5067 k = 0.3238 0.5609-0.0000 ( 1379 PWs) bands (ev): -69.3865 -69.3865 -37.8413 -37.8334 -25.8466 -25.7989 -25.6572 -25.6413 -3.4358 -3.3503 4.8044 4.8500 7.2613 7.4709 8.5337 8.5425 9.3644 9.6807 11.2233 11.4345 14.2312 14.8724 16.1481 16.2359 16.5992 16.6202 18.8041 19.1138 19.5181 19.6932 23.2006 23.5236 25.4863 25.4970 k = 0.3190 0.5526-0.0000 ( 1381 PWs) bands (ev): -69.3865 -69.3865 -37.8412 -37.8333 -25.8464 -25.7989 -25.6567 -25.6410 -3.4373 -3.3523 4.8049 4.8502 7.2585 7.4666 8.5174 8.5298 9.3897 9.7013 11.2318 11.4428 14.2220 14.8525 16.1712 16.2491 16.5835 16.6043 18.7912 19.1259 19.5274 19.6789 23.1952 23.5177 25.4672 25.4815 k = 0.3143 0.5444-0.0000 ( 1385 PWs) bands (ev): -69.3866 -69.3866 -37.8411 -37.8332 -25.8460 -25.7990 -25.6561 -25.6406 -3.4395 -3.3550 4.8056 4.8506 7.2546 7.4607 8.4967 8.5132 9.4229 9.7286 11.2435 11.4543 14.2092 14.8256 16.2019 16.2675 16.5623 16.5832 18.7733 19.1417 19.5393 19.6591 23.1876 23.5094 25.4427 25.4611 k = 0.3095 0.5361-0.0000 ( 1377 PWs) bands (ev): -69.3866 -69.3866 -37.8408 -37.8330 -25.8454 -25.7989 -25.6552 -25.6400 -3.4424 -3.3586 4.8066 4.8513 7.2497 7.4534 8.4729 8.4936 9.4624 9.7619 11.2584 11.4691 14.1931 14.7929 16.2386 16.2908 16.5362 16.5583 18.7507 19.1609 19.5526 19.6350 23.1777 23.4988 25.4145 25.4367 k = 0.3048 0.5279-0.0000 ( 1377 PWs) bands (ev): -69.3867 -69.3867 -37.8406 -37.8328 -25.8446 -25.7988 -25.6543 -25.6394 -3.4461 -3.3631 4.8079 4.8521 7.2439 7.4448 8.4474 8.4718 9.5067 9.8000 11.2765 11.4870 14.1738 14.7551 16.2782 16.3181 16.5059 16.5319 18.7232 19.1825 19.5620 19.6112 23.1656 23.4858 25.3837 25.4090 k = 0.3000 0.5196-0.0000 ( 1377 PWs) bands (ev): -69.3868 -69.3868 -37.8402 -37.8326 -25.8437 -25.7987 -25.6532 -25.6388 -3.4505 -3.3685 4.8096 4.8533 7.2373 7.4347 8.4211 8.4487 9.5548 9.8420 11.2976 11.5079 14.1516 14.7134 16.3151 16.3484 16.4727 16.5092 18.6911 19.2063 19.5474 19.6075 23.1511 23.4702 25.3511 25.3787 k = 0.2952 0.5114-0.0000 ( 1375 PWs) bands (ev): -69.3869 -69.3869 -37.8399 -37.8323 -25.8426 -25.7984 -25.6519 -25.6380 -3.4557 -3.3748 4.8116 4.8547 7.2297 7.4235 8.3950 8.4250 9.6057 9.8871 11.3218 11.5318 14.1270 14.6687 16.3365 16.3759 16.4425 16.5025 18.6545 19.2317 19.5099 19.6228 23.1344 23.4523 25.3176 25.3466 k = 0.2905 0.5031-0.0000 ( 1383 PWs) bands (ev): -69.3870 -69.3870 -37.8395 -37.8320 -25.8414 -25.7981 -25.6506 -25.6372 -3.4618 -3.3821 4.8140 4.8565 7.2214 7.4109 8.3696 8.4014 9.6584 9.9345 11.3488 11.5585 14.1003 14.6218 16.3288 16.3707 16.4446 16.5247 18.6136 19.2581 19.4633 19.6428 23.1153 23.4318 25.2834 25.3130 k = 0.2857 0.4949-0.0000 ( 1387 PWs) bands (ev): -69.3871 -69.3871 -37.8390 -37.8316 -25.8399 -25.7976 -25.6492 -25.6363 -3.4686 -3.3902 4.8169 4.8587 7.2122 7.3973 8.3457 8.3783 9.7124 9.9835 11.3786 11.5881 14.0720 14.5734 16.2980 16.3329 16.4795 16.5696 18.5686 19.2851 19.4109 19.6644 23.0939 23.4089 25.2490 25.2784 k = 0.2810 0.4866-0.0000 ( 1387 PWs) bands (ev): -69.3872 -69.3872 -37.8384 -37.8312 -25.8382 -25.7969 -25.6477 -25.6353 -3.4763 -3.3994 4.8203 4.8613 7.2022 7.3824 8.3235 8.3563 9.7671 10.0336 11.4112 11.6204 14.0425 14.5242 16.2559 16.2873 16.5220 16.6252 18.5200 19.3125 19.3537 19.6865 23.0702 23.3835 25.2144 25.2430 k = 0.2762 0.4784-0.0000 ( 1391 PWs) bands (ev): -69.3874 -69.3874 -37.8379 -37.8308 -25.8363 -25.7961 -25.6462 -25.6343 -3.4848 -3.4095 4.8242 4.8644 7.1914 7.3665 8.3034 8.3358 9.8220 10.0843 11.4464 11.6554 14.0122 14.4747 16.2081 16.2384 16.5674 16.6854 18.4679 19.2922 19.3398 19.7088 23.0440 23.3556 25.1797 25.2069 k = 0.2714 0.4701-0.0000 ( 1393 PWs) bands (ev): -69.3876 -69.3876 -37.8372 -37.8303 -25.8341 -25.7950 -25.6446 -25.6333 -3.4942 -3.4205 4.8287 4.8680 7.1797 7.3494 8.2857 8.3169 9.8768 10.1350 11.4841 11.6929 13.9815 14.4254 16.1569 16.1874 16.6144 16.7477 18.4127 19.2269 19.3669 19.7309 23.0156 23.3253 25.1446 25.1701 k = 0.2667 0.4619-0.0000 ( 1389 PWs) bands (ev): -69.3877 -69.3877 -37.8365 -37.8297 -25.8317 -25.7938 -25.6429 -25.6322 -3.5045 -3.4326 4.8338 4.8722 7.1673 7.3312 8.2707 8.3002 9.9311 10.1854 11.5243 11.7328 13.9509 14.3766 16.1036 16.1347 16.6623 16.8107 18.3550 19.1584 19.3934 19.7526 22.9849 23.2926 25.1092 25.1326 k = 0.2619 0.4536-0.0000 ( 1387 PWs) bands (ev): -69.3879 -69.3879 -37.8357 -37.8291 -25.8291 -25.7924 -25.6413 -25.6310 -3.5156 -3.4455 4.8394 4.8769 7.1540 7.3119 8.2583 8.2856 9.9846 10.2352 11.5667 11.7751 13.9207 14.3287 16.0488 16.0808 16.7106 16.8734 18.2948 19.0868 19.4192 19.7736 22.9519 23.2575 25.0730 25.0941 k = 0.2571 0.4454-0.0000 ( 1387 PWs) bands (ev): -69.3881 -69.3881 -37.8349 -37.8285 -25.8262 -25.7907 -25.6395 -25.6299 -3.5276 -3.4594 4.8457 4.8822 7.1397 7.2915 8.2488 8.2735 10.0369 10.2840 11.6113 11.8197 13.8911 14.2820 15.9930 16.0260 16.7587 16.9351 18.2327 19.0129 19.4441 19.7938 22.9165 23.2200 25.0359 25.0545 k = 0.2524 0.4371-0.0000 ( 1387 PWs) bands (ev): -69.3883 -69.3883 -37.8340 -37.8278 -25.8230 -25.7888 -25.6378 -25.6287 -3.5404 -3.4743 4.8526 4.8881 7.1246 7.2701 8.2423 8.2640 10.0879 10.3315 11.6580 11.8663 13.8627 14.2367 15.9365 15.9704 16.8062 16.9954 18.1692 18.9369 19.4680 19.8131 22.8789 23.1802 24.9974 25.0134 k = 0.2476 0.4289-0.0000 ( 1395 PWs) bands (ev): -69.3886 -69.3886 -37.8331 -37.8271 -25.8197 -25.7868 -25.6361 -25.6276 -3.5541 -3.4900 4.8602 4.8946 7.1085 7.2476 8.2388 8.2572 10.1373 10.3773 11.7065 11.9149 13.8355 14.1931 15.8797 15.9145 16.8527 17.0536 18.1045 18.8594 19.4908 19.8313 22.8391 23.1380 24.9570 24.9703 k = 0.2429 0.4206-0.0000 ( 1393 PWs) bands (ev): -69.3888 -69.3888 -37.8322 -37.8263 -25.8160 -25.7844 -25.6344 -25.6264 -3.5687 -3.5066 4.8685 4.9018 7.0915 7.2240 8.2383 8.2532 10.1849 10.4214 11.7570 11.9655 13.8100 14.1514 15.8228 15.8582 16.8979 17.1094 18.0393 18.7809 19.5125 19.8486 22.7970 23.0936 24.9145 24.9251 k = 0.2381 0.4124-0.0000 ( 1385 PWs) bands (ev): -69.3890 -69.3890 -37.8311 -37.8254 -25.8121 -25.7818 -25.6326 -25.6252 -3.5840 -3.5241 4.8775 4.9098 7.0735 7.1995 8.2410 8.2521 10.2306 10.4635 11.8092 12.0179 13.7865 14.1118 15.7660 15.8020 16.9414 17.1625 17.9741 18.7019 19.5331 19.8648 22.7529 23.0469 24.8692 24.8771 k = 0.2333 0.4041-0.0000 ( 1385 PWs) bands (ev): -69.3893 -69.3893 -37.8300 -37.8246 -25.8080 -25.7790 -25.6309 -25.6240 -3.6001 -3.5425 4.8872 4.9183 7.0544 7.1739 8.2467 8.2540 10.2741 10.5033 11.8629 12.0719 13.7651 14.0744 15.7095 15.7458 16.9829 17.2122 17.9093 18.6227 19.5525 19.8799 22.7066 22.9981 24.8208 24.8260 k = 0.2286 0.3959-0.0000 ( 1385 PWs) bands (ev): -69.3896 -69.3896 -37.8289 -37.8236 -25.8036 -25.7759 -25.6292 -25.6228 -3.6171 -3.5616 4.8977 4.9276 7.0343 7.1473 8.2555 8.2589 10.3153 10.5406 11.9181 12.1275 13.7461 14.0394 15.6535 15.6898 17.0221 17.2581 17.8455 18.5437 19.5707 19.8939 22.6583 22.9471 24.7686 24.7712 k = 0.2238 0.3876-0.0000 ( 1381 PWs) bands (ev): -69.3899 -69.3899 -37.8277 -37.8226 -25.7990 -25.7726 -25.6275 -25.6216 -3.6347 -3.5815 4.9088 4.9376 7.0131 7.1197 8.2668 8.2674 10.3540 10.5753 11.9746 12.1846 13.7296 14.0070 15.5981 15.6342 17.0589 17.2997 17.7836 18.4654 19.5878 19.9070 22.6080 22.8941 24.7122 24.7123 k = 0.2190 0.3794-0.0000 ( 1385 PWs) bands (ev): -69.3902 -69.3902 -37.8265 -37.8216 -25.7942 -25.7690 -25.6259 -25.6204 -3.6531 -3.6021 4.9207 4.9483 6.9908 7.0911 8.2778 8.2823 10.3902 10.6073 12.0323 12.2429 13.7159 13.9771 15.5434 15.5790 17.0928 17.3359 17.7245 18.3881 19.6038 19.9189 22.5558 22.8391 24.6487 24.6514 k = 0.2143 0.3712-0.0000 ( 1385 PWs) bands (ev): -69.3905 -69.3905 -37.8253 -37.8206 -25.7891 -25.7653 -25.6242 -25.6192 -3.6722 -3.6235 4.9332 4.9597 6.9675 7.0616 8.2919 8.3002 10.4236 10.6363 12.0911 12.3024 13.7051 13.9499 15.4895 15.5245 17.1239 17.3651 17.6704 18.3123 19.6189 19.9300 22.5017 22.7822 24.5803 24.5856 k = 0.2095 0.3629-0.0000 ( 1381 PWs) bands (ev): -69.3908 -69.3908 -37.8239 -37.8195 -25.7838 -25.7612 -25.6226 -25.6181 -3.6919 -3.6455 4.9465 4.9718 6.9430 7.0311 8.3090 8.3211 10.4542 10.6624 12.1508 12.3631 13.6974 13.9255 15.4366 15.4707 17.1520 17.3841 17.6246 18.2383 19.6331 19.9403 22.4458 22.7234 24.5067 24.5145 k = 0.2048 0.3547-0.0000 ( 1381 PWs) bands (ev): -69.3912 -69.3912 -37.8226 -37.8184 -25.7784 -25.7570 -25.6210 -25.6170 -3.7122 -3.6680 4.9605 4.9846 6.9175 6.9998 8.3292 8.3448 10.4820 10.6853 12.2112 12.4246 13.6927 13.9039 15.3848 15.4176 17.1769 17.3877 17.5924 18.1664 19.6464 19.9497 22.3883 22.6629 24.4277 24.4379 k = 0.2000 0.3464-0.0000 ( 1381 PWs) bands (ev): -69.3915 -69.3915 -37.8212 -37.8172 -25.7727 -25.7526 -25.6195 -25.6158 -3.7331 -3.6912 4.9752 4.9981 6.8908 6.9676 8.3523 8.3715 10.5068 10.7052 12.2723 12.4869 13.6913 13.8852 15.3341 15.3654 17.1985 17.3720 17.5780 18.0970 19.6590 19.9584 22.3292 22.6007 24.3431 24.3556 k = 0.1952 0.3382-0.0000 ( 1383 PWs) bands (ev): -69.3919 -69.3919 -37.8198 -37.8160 -25.7668 -25.7479 -25.6180 -25.6148 -3.7546 -3.7148 4.9905 5.0123 6.8632 6.9345 8.3784 8.4009 10.5286 10.7219 12.3339 12.5498 13.6932 13.8694 15.2846 15.3141 17.2166 17.3405 17.5781 18.0303 19.6709 19.9665 22.2687 22.5370 24.2530 24.2677 k = 0.1905 0.3299-0.0000 ( 1383 PWs) bands (ev): -69.3923 -69.3923 -37.8184 -37.8148 -25.7608 -25.7431 -25.6166 -25.6137 -3.7765 -3.7389 5.0064 5.0271 6.8345 6.9006 8.4073 8.4330 10.5475 10.7354 12.3959 12.6132 13.6983 13.8565 15.2365 15.2638 17.2312 17.3008 17.5853 17.9666 19.6823 19.9741 22.2067 22.4718 24.1575 24.1742 k = 0.1857 0.3217-0.0000 ( 1387 PWs) bands (ev): -69.3926 -69.3926 -37.8169 -37.8135 -25.7546 -25.7381 -25.6151 -25.6126 -3.7988 -3.7634 5.0230 5.0425 6.8047 6.8659 8.4391 8.4677 10.5634 10.7458 12.4581 12.6770 13.7067 13.8464 15.1898 15.2146 17.2423 17.2581 17.5946 17.9062 19.6932 19.9812 22.1435 22.4053 24.0566 24.0752 k = 0.1810 0.3134-0.0000 ( 1387 PWs) bands (ev): -69.3930 -69.3930 -37.8154 -37.8122 -25.7482 -25.7329 -25.6138 -25.6116 -3.8215 -3.7883 5.0401 5.0585 6.7741 6.8306 8.4736 8.5051 10.5764 10.7532 12.5204 12.7410 13.7184 13.8392 15.1445 15.1665 17.2151 17.2496 17.6035 17.8493 19.7039 19.9880 22.0791 22.3375 23.9508 23.9710 k = 0.1762 0.3052-0.0000 ( 1383 PWs) bands (ev): -69.3934 -69.3934 -37.8139 -37.8109 -25.7417 -25.7275 -25.6124 -25.6106 -3.8446 -3.8134 5.0579 5.0751 6.7426 6.7945 8.5107 8.5449 10.5866 10.7576 12.5826 12.8050 13.7334 13.8349 15.1009 15.1195 17.1733 17.2533 17.6108 17.7962 19.7144 19.9946 22.0138 22.2686 23.8402 23.8619 k = 0.1714 0.2969-0.0000 ( 1383 PWs) bands (ev): -69.3938 -69.3938 -37.8124 -37.8096 -25.7351 -25.7220 -25.6111 -25.6096 -3.8679 -3.8388 5.0761 5.0922 6.7102 6.7579 8.5505 8.5870 10.5939 10.7591 12.6447 12.8690 13.7514 13.8331 15.0588 15.0738 17.1332 17.2532 17.6159 17.7470 19.7248 20.0010 21.9476 22.1987 23.7252 23.7482 k = 0.1667 0.2887-0.0000 ( 1379 PWs) bands (ev): -69.3942 -69.3942 -37.8109 -37.8082 -25.7284 -25.7163 -25.6098 -25.6086 -3.8915 -3.8643 5.0948 5.1098 6.6770 6.7207 8.5927 8.6314 10.5986 10.7578 12.7065 12.9327 13.7724 13.8341 15.0185 15.0294 17.0955 17.2494 17.6186 17.7019 19.7352 20.0073 21.8806 22.1280 23.6063 23.6304 k = 0.1619 0.2804-0.0000 ( 1381 PWs) bands (ev): -69.3946 -69.3946 -37.8093 -37.8068 -25.7217 -25.7106 -25.6085 -25.6077 -3.9152 -3.8900 5.1139 5.1279 6.6431 6.6830 8.6372 8.6780 10.6006 10.7540 12.7678 12.9959 13.7963 13.8375 14.9800 14.9862 17.0601 17.2417 17.6187 17.6607 19.7458 20.0137 21.8130 22.0565 23.4839 23.5088 k = 0.1571 0.2722-0.0000 ( 1381 PWs) bands (ev): -69.3950 -69.3950 -37.8078 -37.8055 -25.7148 -25.7048 -25.6073 -25.6067 -3.9391 -3.9157 5.1334 5.1464 6.6086 6.6448 8.6840 8.7266 10.6002 10.7477 12.8286 13.0585 13.8230 13.8433 14.9433 14.9444 17.0272 17.2307 17.6164 17.6236 19.7566 20.0201 21.7449 21.9844 23.3584 23.3840 k = 0.1524 0.2639-0.0000 ( 1381 PWs) bands (ev): -69.3954 -69.3954 -37.8062 -37.8041 -25.7080 -25.6989 -25.6061 -25.6058 -3.9630 -3.9414 5.1533 5.1652 6.5735 6.6064 8.7329 8.7772 10.5976 10.7391 12.8888 13.1204 13.8515 13.8523 14.9039 14.9085 16.9969 17.2165 17.5902 17.6118 19.7677 20.0267 21.6766 21.9119 23.2303 23.2563 k = 0.1476 0.2557-0.0000 ( 1381 PWs) bands (ev): -69.3958 -69.3958 -37.8046 -37.8027 -25.7011 -25.6929 -25.6049 -25.6049 -3.9869 -3.9670 5.1735 5.1844 6.5380 6.5676 8.7838 8.8295 10.5927 10.7284 12.9482 13.1812 13.8619 13.8839 14.8648 14.8757 16.9692 17.1995 17.5602 17.6048 19.7792 20.0336 21.6081 21.8390 23.1001 23.1263 k = 0.1429 0.2474-0.0000 ( 1375 PWs) bands (ev): -69.3962 -69.3962 -37.8031 -37.8013 -25.6942 -25.6869 -25.6039 -25.6037 -4.0108 -3.9925 5.1939 5.2039 6.5021 6.5288 8.8365 8.8835 10.5860 10.7159 13.0068 13.2409 13.8743 13.9178 14.8272 14.8451 16.9439 17.1803 17.5332 17.5958 19.7913 20.0407 21.5396 21.7661 22.9681 22.9945 k = 0.1381 0.2392-0.0000 ( 1379 PWs) bands (ev): -69.3966 -69.3966 -37.8015 -37.7999 -25.6874 -25.6810 -25.6030 -25.6025 -4.0345 -4.0178 5.2144 5.2235 6.4658 6.4898 8.8910 8.9390 10.5774 10.7016 13.0644 13.2992 13.8886 13.9535 14.7909 14.8165 16.9210 17.1593 17.5088 17.5847 19.8038 20.0481 21.4713 21.6930 22.8350 22.8612 k = 0.1333 0.2309-0.0000 ( 1383 PWs) bands (ev): -69.3970 -69.3970 -37.8000 -37.7985 -25.6807 -25.6751 -25.6020 -25.6014 -4.0581 -4.0429 5.2351 5.2433 6.4295 6.4508 8.9470 8.9958 10.5672 10.6858 13.1210 13.3558 13.9046 13.9910 14.7562 14.7903 16.9004 17.1370 17.4865 17.5719 19.8170 20.0559 21.4033 21.6201 22.7010 22.7270 k = 0.1286 0.2227-0.0000 ( 1383 PWs) bands (ev): -69.3974 -69.3974 -37.7985 -37.7971 -25.6740 -25.6692 -25.6010 -25.6001 -4.0815 -4.0677 5.2559 5.2632 6.3931 6.4120 9.0043 9.0538 10.5556 10.6687 13.1765 13.4106 13.9223 14.0300 14.7229 14.7663 16.8819 17.1139 17.4659 17.5575 19.8308 20.0641 21.3359 21.5476 22.5666 22.5922 k = 0.1238 0.2144-0.0000 ( 1383 PWs) bands (ev): -69.3978 -69.3978 -37.7970 -37.7958 -25.6675 -25.6634 -25.6000 -25.5989 -4.1046 -4.0922 5.2766 5.2832 6.3567 6.3734 9.0629 9.1128 10.5428 10.6505 13.2308 13.4633 13.9415 14.0703 14.6911 14.7448 16.8655 17.0903 17.4468 17.5417 19.8452 20.0726 21.2692 21.4755 22.4323 22.4574 k = 0.1190 0.2062-0.0000 ( 1383 PWs) bands (ev): -69.3982 -69.3982 -37.7955 -37.7944 -25.6611 -25.6578 -25.5988 -25.5976 -4.1274 -4.1162 5.2973 5.3032 6.3205 6.3352 9.1224 9.1726 10.5290 10.6314 13.2838 13.5136 13.9622 14.1114 14.6609 14.7258 16.8508 17.0666 17.4288 17.5248 19.8604 20.0816 21.2034 21.4041 22.2984 22.3229 k = 0.1143 0.1979-0.0000 ( 1383 PWs) bands (ev): -69.3986 -69.3986 -37.7941 -37.7931 -25.6550 -25.6523 -25.5976 -25.5961 -4.1497 -4.1398 5.3179 5.3231 6.2845 6.2974 9.1828 9.2330 10.5143 10.6115 13.3355 13.5612 13.9841 14.1533 14.6323 14.7094 16.8378 17.0428 17.4119 17.5069 19.8762 20.0909 21.1386 21.3335 22.1653 22.1892 k = 0.1095 0.1897-0.0000 ( 1381 PWs) bands (ev): -69.3989 -69.3989 -37.7926 -37.7918 -25.6491 -25.6470 -25.5962 -25.5946 -4.1717 -4.1628 5.3383 5.3428 6.2489 6.2601 9.2437 9.2938 10.4990 10.5911 13.3858 13.6060 14.0073 14.1956 14.6052 14.6955 16.8263 17.0193 17.3959 17.4883 19.8927 20.1006 21.0752 21.2638 22.0335 22.0566 k = 0.1048 0.1815-0.0000 ( 1381 PWs) bands (ev): -69.3993 -69.3993 -37.7913 -37.7905 -25.6436 -25.6420 -25.5947 -25.5930 -4.1931 -4.1853 5.3585 5.3623 6.2139 6.2234 9.3051 9.3548 10.4832 10.5704 13.4345 13.6475 14.0315 14.2380 14.5799 14.6844 16.8161 16.9959 17.3808 17.4692 19.9099 20.1105 21.0132 21.1953 21.9034 21.9257 k = 0.1000 0.1732-0.0000 ( 1381 PWs) bands (ev): -69.3997 -69.3997 -37.7899 -37.7892 -25.6384 -25.6374 -25.5930 -25.5911 -4.2140 -4.2071 5.3783 5.3816 6.1794 6.1875 9.3666 9.4157 10.4671 10.5494 13.4815 13.6857 14.0568 14.2802 14.5562 14.6759 16.8069 16.9729 17.3666 17.4499 19.9276 20.1207 20.9529 21.1280 21.7752 21.7967 k = 0.0952 0.1650-0.0000 ( 1377 PWs) bands (ev): -69.4000 -69.4000 -37.7886 -37.7880 -25.6336 -25.6330 -25.5910 -25.5891 -4.2343 -4.2283 5.3978 5.4005 6.1456 6.1525 9.4280 9.4764 10.4509 10.5285 13.5269 13.7205 14.0828 14.3218 14.5345 14.6700 16.7987 16.9503 17.3533 17.4305 19.9458 20.1310 20.8945 21.0623 21.6494 21.6701 k = 0.0905 0.1567-0.0000 ( 1381 PWs) bands (ev): -69.4004 -69.4004 -37.7873 -37.7868 -25.6294 -25.6292 -25.5887 -25.5868 -4.2539 -4.2487 5.4168 5.4190 6.1126 6.1184 9.4890 9.5364 10.4348 10.5077 13.5703 13.7516 14.1094 14.3624 14.5148 14.6667 16.7912 16.9280 17.3409 17.4114 19.9645 20.1412 20.8383 20.9982 21.5264 21.5463 k = 0.0857 0.1485-0.0000 ( 1377 PWs) bands (ev): -69.4007 -69.4007 -37.7861 -37.7856 -25.6257 -25.6257 -25.5861 -25.5843 -4.2728 -4.2684 5.4353 5.4371 6.0806 6.0854 9.5495 9.5957 10.4190 10.4872 13.6118 13.7792 14.1364 14.4009 14.4981 14.6660 16.7843 16.9064 17.3294 17.3928 19.9834 20.1513 20.7843 20.9359 21.4065 21.4258 k = 0.0810 0.1402-0.0000 ( 1381 PWs) bands (ev): -69.4010 -69.4010 -37.7849 -37.7845 -25.6227 -25.6225 -25.5833 -25.5815 -4.2911 -4.2873 5.4532 5.4547 6.0496 6.0535 9.6090 9.6538 10.4035 10.4672 13.6511 13.8034 14.1634 14.4334 14.4879 14.6675 16.7778 16.8853 17.3188 17.3749 20.0025 20.1611 20.7330 20.8756 21.2901 21.3088 k = 0.0762 0.1320-0.0000 ( 1381 PWs) bands (ev): -69.4013 -69.4013 -37.7838 -37.7835 -25.6201 -25.6198 -25.5802 -25.5786 -4.3085 -4.3053 5.4705 5.4716 6.0198 6.0229 9.6672 9.7104 10.3887 10.4479 13.6881 13.8244 14.1901 14.4454 14.4987 14.6712 16.7716 16.8649 17.3092 17.3580 20.0217 20.1704 20.6846 20.8175 21.1776 21.1959 k = 0.0714 0.1237-0.0000 ( 1381 PWs) bands (ev): -69.4016 -69.4016 -37.7827 -37.7825 -25.6179 -25.6176 -25.5769 -25.5755 -4.3251 -4.3225 5.4871 5.4879 5.9912 5.9936 9.7240 9.7652 10.3746 10.4293 13.7228 13.8425 14.2163 14.4390 14.5283 14.6769 16.7655 16.8453 17.3004 17.3421 20.0406 20.1789 20.6392 20.7616 21.0693 21.0875 k = 0.0667 0.1155-0.0000 ( 1381 PWs) bands (ev): -69.4019 -69.4019 -37.7817 -37.7815 -25.6160 -25.6157 -25.5736 -25.5723 -4.3408 -4.3387 5.5030 5.5036 5.9639 5.9658 9.7788 9.8179 10.3614 10.4117 13.7549 13.8580 14.2415 14.4295 14.5610 14.6842 16.7595 16.8266 17.2927 17.3275 20.0593 20.1863 20.5973 20.7080 20.9657 20.9841 k = 0.0619 0.1072-0.0000 ( 1381 PWs) bands (ev): -69.4021 -69.4021 -37.7808 -37.7806 -25.6145 -25.6142 -25.5702 -25.5691 -4.3557 -4.3539 5.5180 5.5184 5.9380 5.9394 9.8313 9.8680 10.3494 10.3952 13.7842 13.8712 14.2655 14.4206 14.5930 14.6929 16.7536 16.8088 17.2858 17.3143 20.0773 20.1924 20.5591 20.6569 20.8672 20.8863 k = 0.0571 0.0990-0.0000 ( 1389 PWs) bands (ev): -69.4024 -69.4024 -37.7799 -37.7798 -25.6132 -25.6130 -25.5668 -25.5660 -4.3695 -4.3682 5.5322 5.5325 5.9137 5.9147 9.8811 9.9150 10.3388 10.3800 13.8108 13.8823 14.2880 14.4130 14.6233 14.7026 16.7475 16.7921 17.2797 17.3025 20.0943 20.1966 20.5250 20.6081 20.7741 20.7948 k = 0.0524 0.0907-0.0000 ( 1389 PWs) bands (ev): -69.4026 -69.4026 -37.7791 -37.7790 -25.6121 -25.6119 -25.5636 -25.5629 -4.3825 -4.3814 5.5455 5.5456 5.8909 5.8916 9.9279 9.9587 10.3298 10.3663 13.8345 13.8918 14.3089 14.4072 14.6515 14.7131 16.7416 16.7766 17.2745 17.2922 20.1103 20.1988 20.4953 20.5614 20.6869 20.7106 k = 0.0476 0.0825-0.0000 ( 1393 PWs) bands (ev): -69.4028 -69.4028 -37.7783 -37.7782 -25.6113 -25.6111 -25.5605 -25.5600 -4.3944 -4.3936 5.5579 5.5579 5.8698 5.8703 9.9711 9.9984 10.3226 10.3543 13.8554 13.8998 14.3278 14.4030 14.6774 14.7240 16.7356 16.7625 17.2701 17.2835 20.1246 20.1986 20.4699 20.5160 20.6061 20.6352 k = 0.0429 0.0742-0.0000 ( 1393 PWs) bands (ev): -69.4030 -69.4030 -37.7776 -37.7776 -25.6105 -25.6104 -25.5576 -25.5572 -4.4052 -4.4047 5.5692 5.5692 5.8504 5.8507 10.0103 10.0338 10.3176 10.3443 13.8733 13.9066 14.3449 14.4005 14.7009 14.7351 16.7298 16.7497 17.2663 17.2761 20.1369 20.1959 20.4488 20.4707 20.5326 20.5705 k = 0.0381 0.0660-0.0000 ( 1391 PWs) bands (ev): -69.4032 -69.4032 -37.7770 -37.7770 -25.6099 -25.6098 -25.5549 -25.5546 -4.4150 -4.4146 5.5795 5.5796 5.8328 5.8330 10.0450 10.0642 10.3151 10.3366 13.8885 13.9124 14.3599 14.3994 14.7218 14.7459 16.7242 16.7383 17.2633 17.2701 20.1467 20.1909 20.4245 20.4298 20.4686 20.5187 k = 0.0333 0.0577-0.0000 ( 1391 PWs) bands (ev): -69.4033 -69.4033 -37.7764 -37.7764 -25.6094 -25.6093 -25.5525 -25.5523 -4.4237 -4.4235 5.5888 5.5889 5.8171 5.8172 10.0746 10.0894 10.3150 10.3314 13.9011 13.9173 14.3729 14.3996 14.7401 14.7564 16.7189 16.7284 17.2607 17.2653 20.1534 20.1837 20.3783 20.3969 20.4301 20.4795 k = 0.0286 0.0495-0.0000 ( 1391 PWs) bands (ev): -69.4034 -69.4034 -37.7760 -37.7759 -25.6090 -25.6089 -25.5504 -25.5503 -4.4313 -4.4312 5.5970 5.5970 5.8033 5.8033 10.0989 10.1094 10.3173 10.3288 13.9111 13.9215 14.3838 14.4007 14.7558 14.7661 16.7139 16.7200 17.2587 17.2615 20.1562 20.1748 20.3352 20.3497 20.4174 20.4506 k = 0.0238 0.0412-0.0000 ( 1391 PWs) bands (ev): -69.4036 -69.4036 -37.7756 -37.7755 -25.6086 -25.6086 -25.5485 -25.5485 -4.4378 -4.4377 5.6040 5.6041 5.7914 5.7915 10.1178 10.1244 10.3215 10.3286 13.9190 13.9251 14.3927 14.4025 14.7688 14.7748 16.7094 16.7129 17.2571 17.2587 20.1550 20.1646 20.2984 20.3083 20.4102 20.4298 k = 0.0190 0.0330-0.0000 ( 1391 PWs) bands (ev): -69.4036 -69.4036 -37.7752 -37.7752 -25.6084 -25.6084 -25.5470 -25.5470 -4.4431 -4.4431 5.6099 5.6099 5.7816 5.7816 10.1316 10.1352 10.3266 10.3305 13.9249 13.9280 14.3997 14.4047 14.7793 14.7824 16.7055 16.7074 17.2558 17.2567 20.1498 20.1538 20.2695 20.2755 20.4053 20.4155 k = 0.0143 0.0247-0.0000 ( 1391 PWs) bands (ev): -69.4037 -69.4037 -37.7750 -37.7750 -25.6082 -25.6082 -25.5459 -25.5458 -4.4473 -4.4473 5.6145 5.6145 5.7739 5.7739 10.1410 10.1425 10.3318 10.3335 13.9291 13.9304 14.4048 14.4070 14.7873 14.7885 16.7024 16.7031 17.2549 17.2553 20.1419 20.1432 20.2487 20.2517 20.4018 20.4061 k = 0.0095 0.0165-0.0000 ( 1395 PWs) bands (ev): -69.4038 -69.4038 -37.7748 -37.7748 -25.6081 -25.6081 -25.5450 -25.5450 -4.4503 -4.4503 5.6179 5.6179 5.7684 5.7684 10.1468 10.1472 10.3361 10.3366 13.9318 13.9322 14.4083 14.4089 14.7927 14.7931 16.7000 16.7002 17.2543 17.2544 20.1337 20.1340 20.2351 20.2361 20.3994 20.4007 k = 0.0048 0.0082-0.0000 ( 1397 PWs) bands (ev): -69.4038 -69.4038 -37.7747 -37.7747 -25.6080 -25.6080 -25.5445 -25.5445 -4.4521 -4.4520 5.6199 5.6199 5.7650 5.7650 10.1498 10.1499 10.3389 10.3390 13.9333 13.9333 14.4102 14.4103 14.7959 14.7960 16.6985 16.6985 17.2539 17.2539 20.1276 20.1277 20.2274 20.2276 20.3978 20.3980 k = 0.0000 0.0000 0.0000 ( 1397 PWs) bands (ev): -69.4038 -69.4038 -37.7746 -37.7746 -25.6080 -25.6080 -25.5443 -25.5443 -4.4526 -4.4526 5.6206 5.6206 5.7639 5.7639 10.1507 10.1507 10.3398 10.3398 13.9337 13.9337 14.4108 14.4108 14.7970 14.7970 16.6980 16.6980 17.2537 17.2537 20.1254 20.1254 20.2249 20.2249 20.3973 20.3973 k = 0.0000 0.0000 0.0000 ( 1397 PWs) bands (ev): -69.4038 -69.4038 -37.7746 -37.7746 -25.6080 -25.6080 -25.5443 -25.5443 -4.4526 -4.4526 5.6206 5.6206 5.7639 5.7639 10.1507 10.1507 10.3398 10.3398 13.9337 13.9337 14.4108 14.4108 14.7970 14.7970 16.6980 16.6980 17.2537 17.2537 20.1254 20.1254 20.2249 20.2249 20.3973 20.3973 k = 0.0000 0.0000 0.0096 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7746 -37.7746 -25.6080 -25.6080 -25.5443 -25.5443 -4.4519 -4.4519 5.5246 5.5246 5.8611 5.8611 10.1480 10.1551 10.3406 10.3406 13.9323 13.9323 14.3784 14.4353 14.7962 14.7962 16.6624 16.7399 17.2548 17.2548 20.1261 20.1261 20.2253 20.2253 20.3835 20.4109 k = 0.0000 0.0000 0.0191 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7746 -37.7746 -25.6080 -25.6080 -25.5443 -25.5443 -4.4495 -4.4495 5.3820 5.3820 6.0074 6.0074 10.1468 10.1612 10.3428 10.3428 13.9277 13.9277 14.3387 14.4512 14.7936 14.7936 16.6339 16.7875 17.2581 17.2581 20.1280 20.1280 20.2263 20.2263 20.3696 20.4244 k = 0.0000 0.0000 0.0287 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7746 -37.7746 -25.6082 -25.6082 -25.5443 -25.5443 -4.4455 -4.4455 5.2358 5.2358 6.1596 6.1596 10.1473 10.1688 10.3464 10.3464 13.9201 13.9201 14.2926 14.4581 14.7894 14.7894 16.6129 16.8397 17.2635 17.2635 20.1311 20.1311 20.2280 20.2280 20.3558 20.4378 k = 0.0000 0.0000 0.0383 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7747 -37.7747 -25.6083 -25.6083 -25.5443 -25.5443 -4.4400 -4.4400 5.0897 5.0897 6.3142 6.3142 10.1495 10.1781 10.3515 10.3515 13.9093 13.9093 14.2407 14.4556 14.7838 14.7838 16.5998 16.8959 17.2707 17.2707 20.1355 20.1355 20.2305 20.2305 20.3422 20.4509 k = 0.0000 0.0000 0.0479 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7747 -37.7747 -25.6086 -25.6086 -25.5443 -25.5443 -4.4329 -4.4329 4.9446 4.9446 6.4702 6.4702 10.1532 10.1890 10.3581 10.3581 13.8954 13.8954 14.1839 14.4437 14.7768 14.7768 16.5945 16.9550 17.2796 17.2796 20.1410 20.1410 20.2341 20.2341 20.3289 20.4640 k = 0.0000 0.0000 0.0574 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7747 -37.7747 -25.6088 -25.6088 -25.5442 -25.5442 -4.4243 -4.4243 4.8009 4.8009 6.6273 6.6273 10.1586 10.2016 10.3661 10.3661 13.8782 13.8782 14.1229 14.4228 14.7689 14.7689 16.5968 17.0162 17.2898 17.2898 20.1477 20.1477 20.2388 20.2388 20.3162 20.4769 k = 0.0000 0.0000 0.0670 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7747 -37.7747 -25.6091 -25.6091 -25.5442 -25.5442 -4.4143 -4.4143 4.6588 4.6588 6.7852 6.7852 10.1656 10.2157 10.3755 10.3755 13.8578 13.8578 14.0582 14.3932 14.7601 14.7601 16.6063 17.0788 17.3010 17.3010 20.1554 20.1554 20.2449 20.2449 20.3041 20.4898 k = 0.0000 0.0000 0.0766 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7748 -37.7748 -25.6095 -25.6095 -25.5442 -25.5442 -4.4027 -4.4027 4.5183 4.5183 6.9438 6.9438 10.1742 10.2315 10.3863 10.3863 13.8341 13.8341 13.9905 14.3555 14.7507 14.7507 16.6222 17.1420 17.3129 17.3129 20.1640 20.1640 20.2528 20.2528 20.2931 20.5028 k = 0.0000 0.0000 0.0861 ( 1385 PWs) bands (ev): -69.4038 -69.4038 -37.7748 -37.7748 -25.6099 -25.6099 -25.5441 -25.5441 -4.3897 -4.3897 4.3797 4.3797 7.1030 7.1030 10.1844 10.2489 10.3986 10.3986 13.8072 13.8072 13.9203 14.3107 14.7409 14.7409 16.6438 17.2051 17.3251 17.3251 20.1733 20.1733 20.2628 20.2628 20.2833 20.5159 k = 0.0000 0.0000 0.0957 ( 1385 PWs) bands (ev): -69.4038 -69.4038 -37.7748 -37.7748 -25.6103 -25.6103 -25.5441 -25.5441 -4.3754 -4.3754 4.2431 4.2431 7.2626 7.2626 10.1961 10.2679 10.4122 10.4122 13.7770 13.7770 13.8479 14.2593 14.7307 14.7307 16.6702 17.2673 17.3372 17.3372 20.1832 20.1832 20.2749 20.2753 20.2753 20.5293 k = 0.0000 0.0000 0.1053 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7749 -37.7749 -25.6108 -25.6108 -25.5441 -25.5441 -4.3597 -4.3597 4.1085 4.1085 7.4225 7.4225 10.2095 10.2884 10.4271 10.4271 13.7437 13.7437 13.7738 14.2022 14.7202 14.7202 16.7006 17.3282 17.3490 17.3490 20.1934 20.1934 20.2683 20.2904 20.2904 20.5429 k = 0.0000 0.0000 0.1148 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7750 -37.7750 -25.6113 -25.6113 -25.5440 -25.5440 -4.3428 -4.3428 3.9761 3.9761 7.5827 7.5827 10.2244 10.3105 10.4434 10.4434 13.6983 13.7075 13.7075 14.1404 14.7095 14.7095 16.7341 17.3601 17.3601 17.3870 20.2042 20.2042 20.2639 20.3085 20.3085 20.5571 k = 0.0000 0.0000 0.1244 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7750 -37.7750 -25.6119 -25.6119 -25.5440 -25.5440 -4.3246 -4.3246 3.8459 3.8459 7.7429 7.7429 10.2409 10.3342 10.4610 10.4610 13.6218 13.6685 13.6685 14.0743 14.6985 14.6985 16.7699 17.3702 17.3702 17.4432 20.2155 20.2155 20.2618 20.3295 20.3295 20.5717 k = 0.0000 0.0000 0.1340 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7751 -37.7751 -25.6124 -25.6124 -25.5439 -25.5439 -4.3053 -4.3053 3.7181 3.7181 7.9030 7.9030 10.2589 10.3594 10.4799 10.4799 13.5446 13.6269 13.6269 14.0049 14.6871 14.6871 16.8074 17.3790 17.3790 17.4964 20.2276 20.2276 20.2623 20.3534 20.3534 20.5870 k = 0.0000 0.0000 0.1436 ( 1391 PWs) bands (ev): -69.4038 -69.4038 -37.7751 -37.7751 -25.6130 -25.6130 -25.5439 -25.5439 -4.2850 -4.2850 3.5929 3.5929 8.0630 8.0630 10.2785 10.3861 10.5000 10.5000 13.4667 13.5830 13.5830 13.9325 14.6752 14.6752 16.8460 17.3865 17.3865 17.5462 20.2407 20.2407 20.2657 20.3801 20.3801 20.6029 k = 0.0000 0.0000 0.1531 ( 1379 PWs) bands (ev): -69.4037 -69.4037 -37.7752 -37.7752 -25.6136 -25.6136 -25.5438 -25.5438 -4.2636 -4.2636 3.4702 3.4702 8.2228 8.2228 10.2996 10.4144 10.5214 10.5214 13.3888 13.5371 13.5371 13.8580 14.6625 14.6625 16.8851 17.3925 17.3925 17.5921 20.2551 20.2551 20.2722 20.4094 20.4094 20.6196 k = 0.0000 0.0000 0.1627 ( 1379 PWs) bands (ev): -69.4037 -69.4037 -37.7752 -37.7752 -25.6142 -25.6142 -25.5437 -25.5437 -4.2414 -4.2414 3.3503 3.3503 8.3819 8.3819 10.3221 10.4441 10.5438 10.5438 13.3105 13.4893 13.4893 13.7815 14.6488 14.6488 16.9242 17.3968 17.3968 17.6338 20.2711 20.2711 20.2820 20.4411 20.4411 20.6370 k = 0.0000 0.0000 0.1723 ( 1379 PWs) bands (ev): -69.4037 -69.4037 -37.7753 -37.7753 -25.6149 -25.6149 -25.5437 -25.5437 -4.2183 -4.2183 3.2332 3.2332 8.5404 8.5404 10.3462 10.4752 10.5674 10.5674 13.2323 13.4399 13.4399 13.7035 14.6340 14.6340 16.9630 17.3994 17.3994 17.6711 20.2889 20.2889 20.2951 20.4750 20.4750 20.6552 k = 0.0000 0.0000 0.1818 ( 1379 PWs) bands (ev): -69.4037 -69.4037 -37.7754 -37.7754 -25.6155 -25.6155 -25.5436 -25.5436 -4.1946 -4.1946 3.1191 3.1191 8.6981 8.6981 10.3717 10.5077 10.5920 10.5920 13.1544 13.3892 13.3892 13.6244 14.6178 14.6178 17.0012 17.4004 17.4004 17.7038 20.3089 20.3089 20.3115 20.5108 20.5108 20.6741 k = 0.0000 0.0000 0.1914 ( 1379 PWs) bands (ev): -69.4037 -69.4037 -37.7754 -37.7754 -25.6162 -25.6162 -25.5436 -25.5436 -4.1702 -4.1702 3.0081 3.0081 8.8548 8.8548 10.3986 10.5416 10.6176 10.6176 13.0768 13.3375 13.3375 13.5446 14.5999 14.5999 17.0384 17.3996 17.3996 17.7319 20.3312 20.3312 20.3313 20.5483 20.5483 20.6937 k = 0.0000 0.0000 0.2010 ( 1379 PWs) bands (ev): -69.4037 -69.4037 -37.7755 -37.7755 -25.6169 -25.6169 -25.5435 -25.5435 -4.1454 -4.1454 2.9004 2.9004 9.0103 9.0103 10.4269 10.5768 10.6442 10.6442 12.9998 13.2851 13.2851 13.4642 14.5801 14.5801 17.0746 17.3973 17.3973 17.7553 20.3543 20.3562 20.3562 20.5871 20.5871 20.7139 k = 0.0000 0.0000 0.2105 ( 1379 PWs) bands (ev): -69.4037 -69.4037 -37.7756 -37.7756 -25.6175 -25.6175 -25.5435 -25.5435 -4.1203 -4.1203 2.7960 2.7960 9.1643 9.1643 10.4566 10.6133 10.6716 10.6716 12.9234 13.2321 13.2321 13.3835 14.5584 14.5584 17.1096 17.3934 17.3934 17.7741 20.3802 20.3840 20.3840 20.6271 20.6271 20.7346 k = 0.0000 0.0000 0.2201 ( 1379 PWs) bands (ev): -69.4037 -69.4037 -37.7756 -37.7756 -25.6182 -25.6182 -25.5434 -25.5434 -4.0949 -4.0949 2.6952 2.6952 9.3165 9.3165 10.4876 10.6510 10.6998 10.6998 12.8479 13.1789 13.1789 13.3028 14.5343 14.5343 17.1433 17.3881 17.3881 17.7886 20.4089 20.4149 20.4149 20.6678 20.6678 20.7558 k = 0.0000 0.0000 0.2297 ( 1379 PWs) bands (ev): -69.4037 -69.4037 -37.7757 -37.7757 -25.6189 -25.6189 -25.5433 -25.5433 -4.0694 -4.0694 2.5981 2.5981 9.4668 9.4668 10.5200 10.6898 10.7287 10.7287 12.7733 13.1256 13.1256 13.2222 14.5078 14.5078 17.1756 17.3817 17.3817 17.7989 20.4400 20.4491 20.4491 20.7090 20.7090 20.7772 k = 0.0000 0.0000 0.2393 ( 1379 PWs) bands (ev): -69.4036 -69.4036 -37.7758 -37.7758 -25.6195 -25.6195 -25.5433 -25.5433 -4.0440 -4.0440 2.5049 2.5049 9.6148 9.6148 10.5536 10.7297 10.7581 10.7581 12.6998 13.0727 13.0727 13.1420 14.4788 14.4788 17.2066 17.3742 17.3742 17.8053 20.4731 20.4867 20.4867 20.7504 20.7504 20.7987 k = 0.0000 0.0000 0.2488 ( 1379 PWs) bands (ev): -69.4036 -69.4036 -37.7758 -37.7758 -25.6202 -25.6202 -25.5432 -25.5432 -4.0188 -4.0188 2.4156 2.4156 9.7601 9.7601 10.5885 10.7705 10.7881 10.7881 12.6276 13.0202 13.0202 13.0622 14.4473 14.4473 17.2363 17.3658 17.3658 17.8080 20.5078 20.5279 20.5279 20.7916 20.7916 20.8201 k = 0.0000 0.0000 0.2584 ( 1373 PWs) bands (ev): -69.4036 -69.4036 -37.7759 -37.7759 -25.6208 -25.6208 -25.5431 -25.5431 -3.9940 -3.9940 2.3306 2.3306 9.9024 9.9024 10.6246 10.8121 10.8183 10.8183 12.5570 12.9686 12.9686 12.9831 14.4134 14.4134 17.2647 17.3568 17.3568 17.8075 20.5437 20.5728 20.5728 20.8324 20.8324 20.8411 k = 0.0000 0.0000 0.2680 ( 1373 PWs) bands (ev): -69.4036 -69.4036 -37.7759 -37.7759 -25.6213 -25.6213 -25.5431 -25.5431 -3.9697 -3.9697 2.2500 2.2500 10.0412 10.0412 10.6617 10.8488 10.8488 10.8543 12.4879 12.9047 12.9179 12.9179 14.3771 14.3771 17.2918 17.3472 17.3472 17.8039 20.5804 20.6213 20.6213 20.8617 20.8723 20.8723 k = 0.0000 0.0000 0.2775 ( 1373 PWs) bands (ev): -69.4036 -69.4036 -37.7760 -37.7760 -25.6219 -25.6219 -25.5430 -25.5430 -3.9461 -3.9461 2.1738 2.1738 10.1759 10.1759 10.6999 10.8792 10.8792 10.8970 12.4208 12.8273 12.8685 12.8685 14.3385 14.3385 17.3178 17.3373 17.3373 17.7977 20.6175 20.6735 20.6735 20.8814 20.9112 20.9112 k = 0.0000 0.0000 0.2871 ( 1373 PWs) bands (ev): -69.4036 -69.4036 -37.7760 -37.7760 -25.6225 -25.6225 -25.5430 -25.5430 -3.9234 -3.9234 2.1024 2.1024 10.3061 10.3061 10.7391 10.9095 10.9095 10.9398 12.3558 12.7510 12.8207 12.8207 14.2981 14.2981 17.3272 17.3272 17.3427 17.7892 20.6544 20.7292 20.7292 20.9002 20.9487 20.9487 k = 0.0000 0.0000 0.2967 ( 1373 PWs) bands (ev): -69.4036 -69.4036 -37.7761 -37.7761 -25.6230 -25.6230 -25.5429 -25.5429 -3.9017 -3.9017 2.0359 2.0359 10.4310 10.4310 10.7790 10.9395 10.9395 10.9824 12.2934 12.6759 12.7748 12.7748 14.2561 14.2561 17.3172 17.3172 17.3666 17.7786 20.6908 20.7883 20.7883 20.9177 20.9847 20.9847 k = 0.0000 0.0000 0.3062 ( 1373 PWs) bands (ev): -69.4036 -69.4036 -37.7761 -37.7761 -25.6234 -25.6234 -25.5429 -25.5429 -3.8812 -3.8812 1.9745 1.9745 10.5498 10.5498 10.8198 10.9689 10.9689 11.0244 12.2341 12.6022 12.7312 12.7312 14.2131 14.2131 17.3075 17.3075 17.3897 17.7663 20.7263 20.8502 20.8502 20.9337 21.0190 21.0190 k = 0.0000 0.0000 0.3158 ( 1372 PWs) bands (ev): -69.4036 -69.4036 -37.7762 -37.7762 -25.6239 -25.6239 -25.5429 -25.5429 -3.8620 -3.8620 1.9183 1.9183 10.6617 10.6617 10.8611 10.9976 10.9976 11.0651 12.1784 12.5302 12.6901 12.6901 14.1697 14.1697 17.2981 17.2981 17.4120 17.7525 20.7606 20.9143 20.9143 20.9480 21.0517 21.0517 k = 0.0000 0.0000 0.3254 ( 1372 PWs) bands (ev): -69.4036 -69.4036 -37.7762 -37.7762 -25.6243 -25.6243 -25.5428 -25.5428 -3.8444 -3.8444 1.8675 1.8675 10.7654 10.7654 10.9027 11.0255 11.0255 11.1038 12.1272 12.4601 12.6520 12.6520 14.1266 14.1266 17.2893 17.2893 17.4337 17.7375 20.7932 20.9604 20.9790 20.9790 21.0833 21.0833 k = 0.0000 0.0000 0.3350 ( 1384 PWs) bands (ev): -69.4036 -69.4036 -37.7763 -37.7763 -25.6247 -25.6247 -25.5428 -25.5428 -3.8284 -3.8284 1.8222 1.8222 10.8596 10.8596 10.9445 11.0525 11.0525 11.1394 12.0814 12.3921 12.6172 12.6172 14.0846 14.0846 17.2810 17.2810 17.4547 17.7213 20.8239 20.9706 21.0409 21.0409 21.1164 21.1164 k = 0.0000 0.0000 0.3445 ( 1396 PWs) bands (ev): -69.4036 -69.4036 -37.7763 -37.7763 -25.6251 -25.6251 -25.5428 -25.5428 -3.8143 -3.8143 1.7826 1.7826 10.9423 10.9423 10.9860 11.0793 11.0793 11.1707 12.0424 12.3266 12.5861 12.5861 14.0449 14.0449 17.2735 17.2735 17.4752 17.7043 20.8525 20.9784 21.0915 21.0915 21.1579 21.1579 k = 0.0000 0.0000 0.3541 ( 1396 PWs) bands (ev): -69.4036 -69.4036 -37.7764 -37.7764 -25.6253 -25.6253 -25.5428 -25.5428 -3.8021 -3.8021 1.7489 1.7489 11.0102 11.0102 11.0269 11.1077 11.1077 11.1963 12.0117 12.2641 12.5592 12.5592 14.0085 14.0085 17.2671 17.2671 17.4955 17.6868 20.8787 20.9838 21.1245 21.1245 21.2122 21.2122 k = 0.0000 0.0000 0.3637 ( 1396 PWs) bands (ev): -69.4036 -69.4036 -37.7764 -37.7764 -25.6255 -25.6255 -25.5428 -25.5428 -3.7919 -3.7919 1.7212 1.7212 11.0590 11.0590 11.0666 11.1404 11.1404 11.2144 11.9909 12.2052 12.5367 12.5367 13.9765 13.9765 17.2617 17.2617 17.5156 17.6688 20.9024 20.9865 21.1460 21.1460 21.2706 21.2706 k = 0.0000 0.0000 0.3732 ( 1396 PWs) bands (ev): -69.4036 -69.4036 -37.7764 -37.7764 -25.6257 -25.6257 -25.5428 -25.5428 -3.7839 -3.7839 1.6995 1.6995 11.0890 11.0890 11.1045 11.1756 11.1756 11.2238 11.9813 12.1506 12.5189 12.5189 13.9502 13.9502 17.2575 17.2575 17.5353 17.6504 20.9232 20.9864 21.1612 21.1612 21.3248 21.3248 k = 0.0000 0.0000 0.3828 ( 1396 PWs) bands (ev): -69.4036 -69.4036 -37.7764 -37.7764 -25.6258 -25.6258 -25.5428 -25.5428 -3.7781 -3.7781 1.6839 1.6839 11.1063 11.1063 11.1394 11.2059 11.2059 11.2235 11.9837 12.1012 12.5060 12.5060 13.9307 13.9307 17.2544 17.2544 17.5550 17.6317 20.9412 20.9833 21.1715 21.1715 21.3689 21.3689 k = 0.0000 0.0000 0.3924 ( 1396 PWs) bands (ev): -69.4036 -69.4036 -37.7764 -37.7764 -25.6259 -25.6259 -25.5428 -25.5428 -3.7746 -3.7746 1.6746 1.6746 11.1155 11.1155 11.1702 11.2138 11.2257 11.2257 11.9981 12.0583 12.4983 12.4983 13.9185 13.9185 17.2525 17.2525 17.5744 17.6128 20.9562 20.9773 21.1776 21.1776 21.3980 21.3980 k = 0.0000 0.0000 0.4019 ( 1408 PWs) bands (ev): -69.4037 -69.4037 -37.7764 -37.7764 -25.6259 -25.6259 -25.5429 -25.5429 -3.7734 -3.7734 1.6715 1.6715 11.1184 11.1184 11.1955 11.1955 11.2325 11.2325 12.0233 12.0233 12.4956 12.4956 13.9143 13.9143 17.2518 17.2518 17.5936 17.5936 20.9682 20.9682 21.1795 21.1795 21.4082 21.4082 k = 0.0000 0.0000 0.4019 ( 1408 PWs) bands (ev): -69.4037 -69.4037 -37.7764 -37.7764 -25.6259 -25.6259 -25.5429 -25.5429 -3.7734 -3.7734 1.6715 1.6715 11.1184 11.1184 11.1955 11.1955 11.2325 11.2325 12.0233 12.0233 12.4956 12.4956 13.9143 13.9143 17.2518 17.2518 17.5936 17.5936 20.9682 20.9682 21.1795 21.1795 21.4082 21.4082 k = 0.0082 0.0047 0.4019 ( 1396 PWs) bands (ev): -69.4036 -69.4036 -37.7764 -37.7764 -25.6259 -25.6259 -25.5430 -25.5430 -3.7732 -3.7732 1.6726 1.6726 11.1151 11.1151 11.1905 11.1905 11.2368 11.2368 12.0233 12.0233 12.4955 12.4955 13.9154 13.9154 17.2533 17.2533 17.5950 17.5950 20.9647 20.9647 21.1766 21.1766 21.4150 21.4150 k = 0.0164 0.0095 0.4019 ( 1388 PWs) bands (ev): -69.4036 -69.4036 -37.7765 -37.7765 -25.6260 -25.6260 -25.5434 -25.5434 -3.7726 -3.7726 1.6760 1.6760 11.1052 11.1052 11.1797 11.1797 11.2456 11.2456 12.0227 12.0227 12.4950 12.4950 13.9188 13.9188 17.2575 17.2575 17.5990 17.5990 20.9541 20.9541 21.1687 21.1687 21.4345 21.4345 k = 0.0246 0.0142 0.4019 ( 1388 PWs) bands (ev): -69.4035 -69.4035 -37.7767 -37.7767 -25.6261 -25.6261 -25.5443 -25.5443 -3.7716 -3.7716 1.6816 1.6816 11.0885 11.0885 11.1675 11.1675 11.2543 11.2543 12.0216 12.0216 12.4944 12.4944 13.9244 13.9244 17.2645 17.2645 17.6055 17.6055 20.9369 20.9369 21.1572 21.1572 21.4647 21.4647 k = 0.0328 0.0189 0.4019 ( 1388 PWs) bands (ev): -69.4034 -69.4034 -37.7770 -37.7770 -25.6262 -25.6262 -25.5454 -25.5454 -3.7702 -3.7702 1.6895 1.6895 11.0659 11.0659 11.1547 11.1547 11.2616 11.2616 12.0196 12.0196 12.4942 12.4942 13.9322 13.9322 17.2742 17.2742 17.6147 17.6147 20.9136 20.9136 21.1435 21.1435 21.5035 21.5035 k = 0.0410 0.0237 0.4019 ( 1388 PWs) bands (ev): -69.4033 -69.4033 -37.7773 -37.7773 -25.6264 -25.6264 -25.5469 -25.5469 -3.7684 -3.7684 1.6996 1.6996 11.0382 11.0382 11.1413 11.1413 11.2669 11.2669 12.0165 12.0165 12.4947 12.4947 13.9422 13.9422 17.2867 17.2867 17.6265 17.6265 20.8849 20.8849 21.1283 21.1283 21.5497 21.5497 k = 0.0492 0.0284 0.4019 ( 1388 PWs) bands (ev): -69.4032 -69.4032 -37.7777 -37.7777 -25.6267 -25.6267 -25.5486 -25.5486 -3.7662 -3.7662 1.7118 1.7118 11.0063 11.0063 11.1267 11.1267 11.2700 11.2700 12.0117 12.0117 12.4965 12.4965 13.9542 13.9542 17.3018 17.3018 17.6408 17.6408 20.8514 20.8514 21.1117 21.1117 21.6025 21.6025 k = 0.0574 0.0331 0.4019 ( 1384 PWs) bands (ev): -69.4031 -69.4031 -37.7782 -37.7782 -25.6271 -25.6271 -25.5507 -25.5507 -3.7637 -3.7637 1.7263 1.7263 10.9707 10.9707 11.1108 11.1108 11.2707 11.2707 12.0048 12.0048 12.5004 12.5004 13.9682 13.9682 17.3196 17.3196 17.6577 17.6577 20.8134 20.8134 21.0939 21.0939 21.6612 21.6612 k = 0.0656 0.0379 0.4019 ( 1384 PWs) bands (ev): -69.4029 -69.4029 -37.7787 -37.7787 -25.6275 -25.6275 -25.5530 -25.5530 -3.7607 -3.7607 1.7428 1.7428 10.9318 10.9318 11.0932 11.0932 11.2691 11.2691 11.9955 11.9955 12.5070 12.5070 13.9843 13.9843 17.3400 17.3400 17.6770 17.6770 20.7713 20.7713 21.0746 21.0746 21.7255 21.7255 k = 0.0738 0.0426 0.4019 ( 1384 PWs) bands (ev): -69.4028 -69.4028 -37.7793 -37.7793 -25.6280 -25.6280 -25.5557 -25.5557 -3.7574 -3.7574 1.7614 1.7614 10.8900 10.8900 11.0739 11.0739 11.2653 11.2653 11.9833 11.9833 12.5166 12.5166 14.0023 14.0023 17.3628 17.3628 17.6987 17.6987 20.7253 20.7253 21.0539 21.0539 21.7952 21.7952 k = 0.0820 0.0473 0.4019 ( 1382 PWs) bands (ev): -69.4026 -69.4026 -37.7800 -37.7800 -25.6285 -25.6285 -25.5585 -25.5585 -3.7537 -3.7537 1.7820 1.7820 10.8455 10.8455 11.0530 11.0530 11.2593 11.2593 11.9682 11.9682 12.5299 12.5299 14.0221 14.0221 17.3881 17.3881 17.7229 17.7229 20.6755 20.6755 21.0316 21.0316 21.8700 21.8700 k = 0.0902 0.0521 0.4019 ( 1382 PWs) bands (ev): -69.4024 -69.4024 -37.7807 -37.7807 -25.6292 -25.6292 -25.5616 -25.5616 -3.7496 -3.7496 1.8046 1.8046 10.7984 10.7984 11.0304 11.0304 11.2512 11.2512 11.9500 11.9500 12.5471 12.5471 14.0437 14.0437 17.4157 17.4157 17.7492 17.7492 20.6222 20.6222 21.0077 21.0077 21.9497 21.9497 k = 0.0984 0.0568 0.4019 ( 1382 PWs) bands (ev): -69.4022 -69.4022 -37.7815 -37.7815 -25.6300 -25.6300 -25.5648 -25.5648 -3.7452 -3.7452 1.8291 1.8291 10.7489 10.7489 11.0063 11.0063 11.2411 11.2411 11.9289 11.9289 12.5683 12.5683 14.0671 14.0671 17.4456 17.4456 17.7778 17.7778 20.5654 20.5654 20.9822 20.9822 22.0340 22.0340 k = 0.1066 0.0615 0.4019 ( 1382 PWs) bands (ev): -69.4019 -69.4019 -37.7824 -37.7824 -25.6310 -25.6310 -25.5682 -25.5682 -3.7404 -3.7404 1.8555 1.8555 10.6972 10.6972 10.9807 10.9807 11.2291 11.2291 11.9052 11.9052 12.5935 12.5935 14.0920 14.0920 17.4777 17.4777 17.8085 17.8085 20.5053 20.5053 20.9551 20.9551 22.1225 22.1225 k = 0.1148 0.0663 0.4019 ( 1378 PWs) bands (ev): -69.4017 -69.4017 -37.7833 -37.7833 -25.6321 -25.6321 -25.5717 -25.5717 -3.7353 -3.7353 1.8836 1.8836 10.6434 10.6434 10.9537 10.9537 11.2153 11.2153 11.8791 11.8791 12.6226 12.6226 14.1185 14.1185 17.5119 17.5119 17.8411 17.8411 20.4420 20.4420 20.9264 20.9264 22.2151 22.2151 k = 0.1230 0.0710 0.4019 ( 1374 PWs) bands (ev): -69.4014 -69.4014 -37.7842 -37.7842 -25.6335 -25.6335 -25.5753 -25.5753 -3.7299 -3.7299 1.9134 1.9134 10.5877 10.5877 10.9255 10.9255 11.2000 11.2000 11.8510 11.8510 12.6556 12.6556 14.1465 14.1465 17.5481 17.5481 17.8756 17.8756 20.3758 20.3758 20.8960 20.8960 22.3113 22.3113 k = 0.1311 0.0757 0.4019 ( 1374 PWs) bands (ev): -69.4011 -69.4011 -37.7853 -37.7853 -25.6351 -25.6351 -25.5788 -25.5788 -3.7242 -3.7242 1.9448 1.9448 10.5302 10.5302 10.8961 10.8961 11.1832 11.1832 11.8213 11.8213 12.6923 12.6923 14.1759 14.1759 17.5861 17.5861 17.9118 17.9118 20.3068 20.3068 20.8640 20.8640 22.4108 22.4108 k = 0.1393 0.0805 0.4019 ( 1374 PWs) bands (ev): -69.4008 -69.4008 -37.7863 -37.7863 -25.6371 -25.6371 -25.5824 -25.5824 -3.7181 -3.7181 1.9777 1.9777 10.4710 10.4710 10.8656 10.8656 11.1650 11.1650 11.7903 11.7903 12.7324 12.7324 14.2066 14.2066 17.6258 17.6258 17.9496 17.9496 20.2353 20.2353 20.8304 20.8304 22.5130 22.5130 k = 0.1475 0.0852 0.4019 ( 1374 PWs) bands (ev): -69.4005 -69.4005 -37.7875 -37.7875 -25.6394 -25.6394 -25.5857 -25.5857 -3.7118 -3.7118 2.0121 2.0121 10.4104 10.4104 10.8343 10.8343 11.1457 11.1457 11.7586 11.7586 12.7759 12.7759 14.2385 14.2385 17.6672 17.6672 17.9888 17.9888 20.1614 20.1614 20.7952 20.7952 22.6177 22.6177 k = 0.1557 0.0899 0.4019 ( 1374 PWs) bands (ev): -69.4002 -69.4002 -37.7886 -37.7886 -25.6421 -25.6421 -25.5890 -25.5890 -3.7052 -3.7052 2.0478 2.0478 10.3485 10.3485 10.8021 10.8021 11.1253 11.1253 11.7264 11.7264 12.8226 12.8226 14.2716 14.2716 17.7101 17.7101 18.0293 18.0293 20.0854 20.0854 20.7585 20.7585 22.7242 22.7242 k = 0.1639 0.0946 0.4019 ( 1378 PWs) bands (ev): -69.3998 -69.3998 -37.7898 -37.7898 -25.6452 -25.6452 -25.5920 -25.5920 -3.6984 -3.6984 2.0847 2.0847 10.2854 10.2854 10.7693 10.7693 11.1039 11.1039 11.6940 11.6940 12.8722 12.8722 14.3058 14.3058 17.7544 17.7544 18.0708 18.0708 20.0075 20.0075 20.7201 20.7201 22.8322 22.8322 k = 0.1721 0.0994 0.4019 ( 1378 PWs) bands (ev): -69.3995 -69.3995 -37.7911 -37.7911 -25.6487 -25.6487 -25.5947 -25.5947 -3.6913 -3.6913 2.1228 2.1228 10.2213 10.2213 10.7358 10.7358 11.0818 11.0818 11.6618 11.6618 12.9247 12.9247 14.3408 14.3408 17.7999 17.7999 18.1132 18.1132 19.9282 19.9282 20.6803 20.6803 22.9411 22.9411 k = 0.1803 0.1041 0.4019 ( 1376 PWs) bands (ev): -69.3991 -69.3991 -37.7924 -37.7924 -25.6528 -25.6528 -25.5971 -25.5971 -3.6840 -3.6840 2.1619 2.1619 10.1564 10.1564 10.7020 10.7020 11.0589 11.0589 11.6301 11.6301 12.9800 12.9800 14.3768 14.3768 17.8464 17.8464 18.1564 18.1564 19.8477 19.8477 20.6390 20.6390 23.0502 23.0502 k = 0.1885 0.1088 0.4019 ( 1380 PWs) bands (ev): -69.3988 -69.3988 -37.7937 -37.7937 -25.6572 -25.6572 -25.5992 -25.5992 -3.6765 -3.6765 2.2018 2.2018 10.0908 10.0908 10.6677 10.6677 11.0355 11.0355 11.5991 11.5991 13.0380 13.0380 14.4134 14.4134 17.8939 17.8939 18.2000 18.2000 19.7662 19.7662 20.5962 20.5962 23.1591 23.1591 k = 0.1967 0.1136 0.4019 ( 1380 PWs) bands (ev): -69.3984 -69.3984 -37.7950 -37.7950 -25.6621 -25.6621 -25.6011 -25.6011 -3.6688 -3.6688 2.2426 2.2426 10.0247 10.0247 10.6332 10.6332 11.0117 11.0117 11.5691 11.5691 13.0984 13.0984 14.4506 14.4506 17.9421 17.9421 18.2439 18.2439 19.6842 19.6842 20.5520 20.5520 23.2671 23.2671 k = 0.2049 0.1183 0.4019 ( 1380 PWs) bands (ev): -69.3980 -69.3980 -37.7964 -37.7964 -25.6673 -25.6673 -25.6027 -25.6027 -3.6609 -3.6609 2.2840 2.2840 9.9583 9.9583 10.5986 10.5986 10.9876 10.9876 11.5404 11.5404 13.1612 13.1612 14.4882 14.4882 17.9909 17.9909 18.2878 18.2878 19.6022 19.6022 20.5064 20.5064 23.3736 23.3736 k = 0.2131 0.1230 0.4019 ( 1380 PWs) bands (ev): -69.3977 -69.3977 -37.7978 -37.7978 -25.6729 -25.6729 -25.6040 -25.6040 -3.6529 -3.6529 2.3260 2.3260 9.8917 9.8917 10.5639 10.5639 10.9632 10.9632 11.5130 11.5130 13.2262 13.2262 14.5261 14.5261 18.0401 18.0401 18.3314 18.3314 19.5206 19.5206 20.4595 20.4595 23.4778 23.4778 k = 0.2213 0.1278 0.4019 ( 1380 PWs) bands (ev): -69.3973 -69.3973 -37.7992 -37.7992 -25.6787 -25.6787 -25.6052 -25.6052 -3.6447 -3.6447 2.3684 2.3684 9.8251 9.8251 10.5292 10.5292 10.9387 10.9387 11.4874 11.4874 13.2934 13.2934 14.5641 14.5641 18.0895 18.0895 18.3742 18.3742 19.4401 19.4401 20.4113 20.4113 23.5792 23.5792 k = 0.2295 0.1325 0.4019 ( 1380 PWs) bands (ev): -69.3969 -69.3969 -37.8006 -37.8006 -25.6848 -25.6848 -25.6062 -25.6062 -3.6365 -3.6365 2.4112 2.4112 9.7586 9.7586 10.4947 10.4947 10.9141 10.9141 11.4635 11.4635 13.3626 13.3626 14.6020 14.6020 18.1389 18.1389 18.4157 18.4157 19.3615 19.3615 20.3619 20.3619 23.6769 23.6769 k = 0.2377 0.1372 0.4019 ( 1380 PWs) bands (ev): -69.3965 -69.3965 -37.8020 -37.8020 -25.6910 -25.6910 -25.6071 -25.6071 -3.6281 -3.6281 2.4541 2.4541 9.6924 9.6924 10.4604 10.4604 10.8896 10.8896 11.4416 11.4416 13.4337 13.4337 14.6395 14.6395 18.1879 18.1879 18.4553 18.4553 19.2857 19.2857 20.3113 20.3113 23.7703 23.7703 k = 0.2459 0.1420 0.4019 ( 1380 PWs) bands (ev): -69.3961 -69.3961 -37.8034 -37.8034 -25.6973 -25.6973 -25.6078 -25.6078 -3.6197 -3.6197 2.4970 2.4970 9.6266 9.6266 10.4265 10.4265 10.8653 10.8653 11.4218 11.4218 13.5066 13.5066 14.6766 14.6766 18.2363 18.2363 18.4918 18.4918 19.2143 19.2143 20.2596 20.2596 23.8587 23.8587 k = 0.2541 0.1467 0.4019 ( 1372 PWs) bands (ev): -69.3957 -69.3957 -37.8048 -37.8048 -25.7037 -25.7037 -25.6084 -25.6084 -3.6112 -3.6112 2.5399 2.5399 9.5614 9.5614 10.3929 10.3929 10.8412 10.8412 11.4042 11.4042 13.5811 13.5811 14.7130 14.7130 18.2837 18.2837 18.5241 18.5241 19.1490 19.1490 20.2069 20.2069 23.9414 23.9414 k = 0.2623 0.1514 0.4019 ( 1370 PWs) bands (ev): -69.3953 -69.3953 -37.8062 -37.8062 -25.7102 -25.7102 -25.6090 -25.6090 -3.6027 -3.6027 2.5826 2.5826 9.4970 9.4970 10.3598 10.3598 10.8174 10.8174 11.3889 11.3889 13.6571 13.6571 14.7483 14.7483 18.3290 18.3290 18.5501 18.5501 19.0927 19.0927 20.1533 20.1533 24.0179 24.0179 k = 0.2705 0.1562 0.4019 ( 1370 PWs) bands (ev): -69.3949 -69.3949 -37.8077 -37.8077 -25.7168 -25.7168 -25.6095 -25.6095 -3.5941 -3.5941 2.6249 2.6249 9.4334 9.4334 10.3272 10.3272 10.7940 10.7940 11.3760 11.3760 13.7345 13.7345 14.7823 14.7823 18.3709 18.3709 18.5681 18.5681 19.0486 19.0486 20.0990 20.0990 24.0873 24.0873 k = 0.2787 0.1609 0.4019 ( 1370 PWs) bands (ev): -69.3945 -69.3945 -37.8091 -37.8091 -25.7233 -25.7233 -25.6099 -25.6099 -3.5856 -3.5856 2.6668 2.6668 9.3707 9.3707 10.2952 10.2952 10.7709 10.7709 11.3655 11.3655 13.8130 13.8130 14.8148 14.8148 18.4063 18.4063 18.5781 18.5781 19.0200 19.0200 20.0439 20.0439 24.1494 24.1494 k = 0.2869 0.1656 0.4019 ( 1378 PWs) bands (ev): -69.3941 -69.3941 -37.8105 -37.8105 -25.7299 -25.7299 -25.6103 -25.6103 -3.5772 -3.5772 2.7082 2.7082 9.3092 9.3092 10.2638 10.2638 10.7484 10.7484 11.3575 11.3575 13.8926 13.8926 14.8455 14.8455 18.4286 18.4286 18.5851 18.5851 19.0083 19.0083 19.9881 19.9881 24.2036 24.2036 k = 0.2951 0.1704 0.4019 ( 1374 PWs) bands (ev): -69.3937 -69.3937 -37.8119 -37.8119 -25.7363 -25.7363 -25.6106 -25.6106 -3.5688 -3.5688 2.7488 2.7488 9.2490 9.2490 10.2332 10.2332 10.7264 10.7264 11.3521 11.3521 13.9730 13.9730 14.8740 14.8740 18.4294 18.4294 18.5995 18.5995 19.0121 19.0121 19.9321 19.9321 24.2498 24.2498 k = 0.3033 0.1751 0.4019 ( 1368 PWs) bands (ev): -69.3933 -69.3933 -37.8132 -37.8132 -25.7427 -25.7427 -25.6109 -25.6109 -3.5605 -3.5605 2.7887 2.7887 9.1902 9.1902 10.2034 10.2034 10.7051 10.7051 11.3492 11.3492 14.0542 14.0542 14.9002 14.9002 18.4081 18.4081 18.6256 18.6256 19.0274 19.0274 19.8760 19.8760 24.2876 24.2876 k = 0.3115 0.1798 0.4019 ( 1372 PWs) bands (ev): -69.3930 -69.3930 -37.8146 -37.8146 -25.7490 -25.7490 -25.6112 -25.6112 -3.5523 -3.5523 2.8277 2.8277 9.1329 9.1329 10.1743 10.1743 10.6843 10.6843 11.3488 11.3488 14.1357 14.1357 14.9236 14.9236 18.3729 18.3729 18.6587 18.6587 19.0502 19.0502 19.8200 19.8200 24.3172 24.3172 k = 0.3197 0.1846 0.4019 ( 1382 PWs) bands (ev): -69.3926 -69.3926 -37.8159 -37.8159 -25.7553 -25.7553 -25.6114 -25.6114 -3.5443 -3.5443 2.8656 2.8656 9.0771 9.0771 10.1462 10.1462 10.6642 10.6642 11.3509 11.3509 14.2173 14.2173 14.9443 14.9443 18.3313 18.3313 18.6946 18.6946 19.0774 19.0774 19.7645 19.7645 24.3387 24.3387 k = 0.3279 0.1893 0.4019 ( 1382 PWs) bands (ev): -69.3923 -69.3923 -37.8172 -37.8172 -25.7613 -25.7613 -25.6117 -25.6117 -3.5364 -3.5364 2.9025 2.9025 9.0231 9.0231 10.1190 10.1190 10.6449 10.6449 11.3553 11.3553 14.2990 14.2990 14.9619 14.9619 18.2879 18.2879 18.7311 18.7311 19.1069 19.1069 19.7101 19.7101 24.3522 24.3522 k = 0.3361 0.1940 0.4019 ( 1382 PWs) bands (ev): -69.3919 -69.3919 -37.8184 -37.8184 -25.7672 -25.7672 -25.6118 -25.6118 -3.5287 -3.5287 2.9382 2.9382 8.9709 8.9709 10.0928 10.0928 10.6262 10.6262 11.3621 11.3621 14.3802 14.3802 14.9764 14.9764 18.2449 18.2449 18.7667 18.7667 19.1366 19.1366 19.6575 19.6575 24.3581 24.3581 k = 0.3443 0.1988 0.4019 ( 1382 PWs) bands (ev): -69.3916 -69.3916 -37.8197 -37.8197 -25.7730 -25.7730 -25.6120 -25.6120 -3.5211 -3.5211 2.9725 2.9725 8.9207 8.9207 10.0676 10.0676 10.6084 10.6084 11.3710 11.3710 14.4606 14.4606 14.9879 14.9879 18.2041 18.2041 18.8007 18.8007 19.1651 19.1651 19.6079 19.6079 24.3571 24.3571 k = 0.3525 0.2035 0.4019 ( 1378 PWs) bands (ev): -69.3913 -69.3913 -37.8208 -37.8208 -25.7785 -25.7785 -25.6121 -25.6121 -3.5139 -3.5139 3.0056 3.0056 8.8724 8.8724 10.0435 10.0435 10.5914 10.5914 11.3821 11.3821 14.5394 14.5394 14.9966 14.9966 18.1663 18.1663 18.8324 18.8324 19.1906 19.1906 19.5627 19.5627 24.3496 24.3496 k = 0.3607 0.2082 0.4019 ( 1378 PWs) bands (ev): -69.3910 -69.3910 -37.8219 -37.8219 -25.7838 -25.7838 -25.6123 -25.6123 -3.5068 -3.5068 3.0371 3.0371 8.8263 8.8263 10.0205 10.0205 10.5752 10.5752 11.3950 11.3950 14.6160 14.6160 15.0031 15.0031 18.1319 18.1319 18.8611 18.8611 19.2107 19.2107 19.5246 19.5246 24.3362 24.3362 k = 0.3689 0.2130 0.4019 ( 1378 PWs) bands (ev): -69.3907 -69.3907 -37.8230 -37.8230 -25.7889 -25.7889 -25.6124 -25.6124 -3.5001 -3.5001 3.0672 3.0672 8.7823 8.7823 9.9986 9.9986 10.5598 10.5598 11.4096 11.4096 14.6887 14.6887 15.0086 15.0086 18.1015 18.1015 18.8859 18.8859 19.2231 19.2231 19.4968 19.4968 24.3178 24.3178 k = 0.3770 0.2177 0.4019 ( 1378 PWs) bands (ev): -69.3904 -69.3904 -37.8241 -37.8241 -25.7937 -25.7937 -25.6125 -25.6125 -3.4936 -3.4936 3.0957 3.0957 8.7406 8.7406 9.9779 9.9779 10.5453 10.5453 11.4257 11.4257 14.7549 14.7549 15.0157 15.0157 18.0750 18.0750 18.9055 18.9055 19.2258 19.2258 19.4820 19.4820 24.2949 24.2949 k = 0.3852 0.2224 0.4019 ( 1382 PWs) bands (ev): -69.3901 -69.3901 -37.8250 -37.8250 -25.7984 -25.7984 -25.6126 -25.6126 -3.4874 -3.4874 3.1225 3.1225 8.7013 8.7013 9.9584 9.9584 10.5317 10.5317 11.4431 11.4431 14.8100 14.8100 15.0289 15.0289 18.0523 18.0523 18.9184 18.9184 19.2202 19.2202 19.4804 19.4804 24.2685 24.2685 k = 0.3934 0.2272 0.4019 ( 1386 PWs) bands (ev): -69.3899 -69.3899 -37.8260 -37.8260 -25.8028 -25.8028 -25.6127 -25.6127 -3.4816 -3.4816 3.1477 3.1477 8.6643 8.6643 9.9401 9.9401 10.5189 10.5189 11.4613 11.4613 14.8476 14.8476 15.0546 15.0546 18.0334 18.0334 18.9227 18.9227 19.2111 19.2111 19.4890 19.4890 24.2394 24.2394 k = 0.4016 0.2319 0.4019 ( 1384 PWs) bands (ev): -69.3896 -69.3896 -37.8268 -37.8268 -25.8068 -25.8068 -25.6128 -25.6128 -3.4761 -3.4761 3.1712 3.1712 8.6298 8.6298 9.9230 9.9230 10.5071 10.5071 11.4803 11.4803 14.8651 14.8651 15.0956 15.0956 18.0180 18.0180 18.9174 18.9174 19.2040 19.2040 19.5040 19.5040 24.2083 24.2083 k = 0.4098 0.2366 0.4019 ( 1382 PWs) bands (ev): -69.3894 -69.3894 -37.8276 -37.8276 -25.8106 -25.8106 -25.6128 -25.6128 -3.4710 -3.4710 3.1929 3.1929 8.5979 8.5979 9.9073 9.9073 10.4962 10.4962 11.4997 11.4997 14.8671 14.8671 15.1470 15.1470 18.0057 18.0057 18.9027 18.9027 19.2017 19.2017 19.5221 19.5221 24.1761 24.1761 k = 0.4180 0.2414 0.4019 ( 1382 PWs) bands (ev): -69.3892 -69.3892 -37.8284 -37.8284 -25.8141 -25.8141 -25.6129 -25.6129 -3.4663 -3.4663 3.2128 3.2128 8.5686 8.5686 9.8928 9.8928 10.4862 10.4862 11.5190 11.5190 14.8601 14.8601 15.2026 15.2026 17.9960 17.9960 18.8805 18.8805 19.2045 19.2045 19.5413 19.5413 24.1436 24.1436 k = 0.4262 0.2461 0.4019 ( 1386 PWs) bands (ev): -69.3890 -69.3890 -37.8290 -37.8290 -25.8173 -25.8173 -25.6129 -25.6129 -3.4620 -3.4620 3.2309 3.2309 8.5419 8.5419 9.8797 9.8797 10.4771 10.4771 11.5380 11.5380 14.8480 14.8480 15.2584 15.2584 17.9885 17.9885 18.8536 18.8536 19.2110 19.2110 19.5605 19.5605 24.1114 24.1114 k = 0.4344 0.2508 0.4019 ( 1384 PWs) bands (ev): -69.3889 -69.3889 -37.8297 -37.8297 -25.8202 -25.8202 -25.6130 -25.6130 -3.4581 -3.4581 3.2471 3.2471 8.5179 8.5179 9.8679 9.8679 10.4690 10.4690 11.5563 11.5563 14.8335 14.8335 15.3121 15.3121 17.9829 17.9829 18.8249 18.8249 19.2196 19.2196 19.5788 19.5788 24.0805 24.0805 k = 0.4426 0.2555 0.4019 ( 1388 PWs) bands (ev): -69.3887 -69.3887 -37.8302 -37.8302 -25.8228 -25.8228 -25.6130 -25.6130 -3.4546 -3.4546 3.2614 3.2614 8.4966 8.4966 9.8574 9.8574 10.4618 10.4618 11.5736 11.5736 14.8181 14.8181 15.3620 15.3620 17.9786 17.9786 18.7963 18.7963 19.2291 19.2291 19.5957 19.5957 24.0513 24.0513 k = 0.4508 0.2603 0.4019 ( 1388 PWs) bands (ev): -69.3886 -69.3886 -37.8307 -37.8307 -25.8250 -25.8250 -25.6130 -25.6130 -3.4516 -3.4516 3.2739 3.2739 8.4780 8.4780 9.8483 9.8483 10.4555 10.4555 11.5894 11.5894 14.8028 14.8028 15.4073 15.4073 17.9755 17.9755 18.7692 18.7692 19.2384 19.2384 19.6109 19.6109 24.0247 24.0247 k = 0.4590 0.2650 0.4019 ( 1388 PWs) bands (ev): -69.3885 -69.3885 -37.8311 -37.8311 -25.8269 -25.8269 -25.6131 -25.6131 -3.4490 -3.4490 3.2845 3.2845 8.4623 8.4623 9.8406 9.8406 10.4502 10.4502 11.6035 11.6035 14.7885 14.7885 15.4471 15.4471 17.9732 17.9732 18.7449 18.7449 19.2470 19.2470 19.6241 19.6241 24.0011 24.0011 k = 0.4672 0.2697 0.4019 ( 1388 PWs) bands (ev): -69.3884 -69.3884 -37.8314 -37.8314 -25.8285 -25.8285 -25.6131 -25.6131 -3.4469 -3.4469 3.2932 3.2932 8.4494 8.4494 9.8343 9.8343 10.4459 10.4459 11.6155 11.6155 14.7758 14.7758 15.4806 15.4806 17.9715 17.9715 18.7241 18.7241 19.2545 19.2545 19.6351 19.6351 23.9810 23.9810 k = 0.4754 0.2745 0.4019 ( 1384 PWs) bands (ev): -69.3883 -69.3883 -37.8317 -37.8317 -25.8297 -25.8297 -25.6131 -25.6131 -3.4452 -3.4452 3.2999 3.2999 8.4393 8.4393 9.8293 9.8293 10.4426 10.4426 11.6252 11.6252 14.7654 14.7654 15.5074 15.5074 17.9703 17.9703 18.7075 18.7075 19.2606 19.2606 19.6438 19.6438 23.9650 23.9650 k = 0.4836 0.2792 0.4019 ( 1384 PWs) bands (ev): -69.3883 -69.3883 -37.8318 -37.8318 -25.8306 -25.8306 -25.6131 -25.6131 -3.4440 -3.4440 3.3048 3.3048 8.4321 8.4321 9.8258 9.8258 10.4401 10.4401 11.6323 11.6323 14.7577 14.7577 15.5268 15.5268 17.9694 17.9694 18.6953 18.6953 19.2651 19.2651 19.6501 19.6501 23.9533 23.9533 k = 0.4918 0.2839 0.4019 ( 1384 PWs) bands (ev): -69.3882 -69.3882 -37.8320 -37.8320 -25.8311 -25.8311 -25.6131 -25.6131 -3.4433 -3.4433 3.3077 3.3077 8.4278 8.4278 9.8237 9.8237 10.4387 10.4387 11.6366 11.6366 14.7529 14.7529 15.5386 15.5386 17.9688 17.9688 18.6879 18.6879 19.2678 19.2678 19.6539 19.6539 23.9462 23.9462 k = 0.5000 0.2887 0.4019 ( 1380 PWs) bands (ev): -69.3882 -69.3882 -37.8320 -37.8320 -25.8312 -25.8312 -25.6131 -25.6131 -3.4431 -3.4431 3.3086 3.3086 8.4264 8.4264 9.8230 9.8230 10.4382 10.4382 11.6380 11.6380 14.7513 14.7513 15.5426 15.5426 17.9687 17.9687 18.6855 18.6855 19.2688 19.2688 19.6552 19.6552 23.9438 23.9438 k = 0.5000 0.2887 0.4019 ( 1380 PWs) bands (ev): -69.3882 -69.3882 -37.8320 -37.8320 -25.8312 -25.8312 -25.6131 -25.6131 -3.4431 -3.4431 3.3086 3.3086 8.4264 8.4264 9.8230 9.8230 10.4382 10.4382 11.6380 11.6380 14.7513 14.7513 15.5426 15.5426 17.9687 17.9687 18.6855 18.6855 19.2688 19.2688 19.6552 19.6552 23.9438 23.9438 k = 0.4952 0.2969 0.4019 ( 1382 PWs) bands (ev): -69.3882 -69.3882 -37.8322 -37.8318 -25.8320 -25.8304 -25.6133 -25.6131 -3.4430 -3.4429 3.3022 3.3160 8.4239 8.4280 9.8187 9.8253 10.4381 10.4391 11.6383 11.6404 14.7456 14.7559 15.5405 15.5463 17.9423 17.9908 18.6429 18.7229 19.2635 19.2740 19.6535 19.6585 23.9364 23.9595 k = 0.4905 0.3052 0.4019 ( 1382 PWs) bands (ev): -69.3882 -69.3882 -37.8324 -37.8317 -25.8327 -25.8296 -25.6136 -25.6133 -3.4428 -3.4425 3.2966 3.3243 8.4207 8.4288 9.8124 9.8256 10.4388 10.4407 11.6412 11.6455 14.7387 14.7593 15.5402 15.5518 17.9118 18.0086 18.5956 18.7551 19.2588 19.2791 19.6538 19.6634 23.9373 23.9831 k = 0.4857 0.3134 0.4019 ( 1382 PWs) bands (ev): -69.3882 -69.3882 -37.8326 -37.8316 -25.8333 -25.8286 -25.6142 -25.6137 -3.4425 -3.4419 3.2921 3.3336 8.4166 8.4288 9.8044 9.8239 10.4402 10.4428 11.6468 11.6533 14.7308 14.7615 15.5415 15.5589 17.8774 18.0216 18.5439 18.7823 19.2547 19.2836 19.6560 19.6695 23.9465 24.0144 k = 0.4810 0.3217 0.4019 ( 1386 PWs) bands (ev): -69.3882 -69.3882 -37.8329 -37.8315 -25.8339 -25.8276 -25.6149 -25.6143 -3.4419 -3.4412 3.2884 3.3436 8.4117 8.4279 9.7947 9.8204 10.4422 10.4454 11.6551 11.6638 14.7216 14.7623 15.5445 15.5677 17.8392 18.0296 18.4885 18.8044 19.2515 19.2871 19.6605 19.6768 23.9640 24.0531 k = 0.4762 0.3299 0.4019 ( 1386 PWs) bands (ev): -69.3881 -69.3881 -37.8332 -37.8314 -25.8345 -25.8266 -25.6159 -25.6151 -3.4411 -3.4402 3.2857 3.3545 8.4059 8.4261 9.7838 9.8153 10.4447 10.4482 11.6661 11.6769 14.7114 14.7618 15.5491 15.5782 17.7975 18.0318 18.4306 18.8218 19.2494 19.2895 19.6672 19.6849 23.9897 24.0987 k = 0.4714 0.3382 0.4019 ( 1386 PWs) bands (ev): -69.3881 -69.3881 -37.8335 -37.8313 -25.8349 -25.8255 -25.6170 -25.6160 -3.4402 -3.4391 3.2839 3.3662 8.3993 8.4235 9.7718 9.8088 10.4476 10.4510 11.6797 11.6928 14.7000 14.7598 15.5554 15.5904 17.7524 18.0273 18.3718 18.8348 19.2486 19.2903 19.6763 19.6938 24.0233 24.1509 k = 0.4667 0.3464 0.4019 ( 1386 PWs) bands (ev): -69.3881 -69.3881 -37.8338 -37.8313 -25.8354 -25.8243 -25.6183 -25.6171 -3.4391 -3.4378 3.2830 3.3787 8.3918 8.4199 9.7591 9.8012 10.4505 10.4536 11.6960 11.7115 14.6874 14.7562 15.5632 15.6042 17.7043 18.0145 18.3140 18.8436 19.2491 19.2898 19.6876 19.7033 24.0645 24.2091 k = 0.4619 0.3547 0.4019 ( 1382 PWs) bands (ev): -69.3880 -69.3880 -37.8342 -37.8313 -25.8358 -25.8231 -25.6198 -25.6183 -3.4378 -3.4364 3.2829 3.3918 8.3834 8.4154 9.7459 9.7930 10.4533 10.4559 11.7151 11.7329 14.6735 14.7509 15.5726 15.6196 17.6535 17.9912 18.2603 18.8484 19.2510 19.2878 19.7011 19.7132 24.1129 24.2729 k = 0.4571 0.3629 0.4019 ( 1380 PWs) bands (ev): -69.3879 -69.3879 -37.8345 -37.8313 -25.8361 -25.8218 -25.6214 -25.6196 -3.4364 -3.4348 3.2837 3.4055 8.3741 8.4100 9.7327 9.7842 10.4559 10.4576 11.7368 11.7571 14.6580 14.7436 15.5835 15.6366 17.6002 17.9554 18.2131 18.8494 19.2545 19.2845 19.7166 19.7234 24.1681 24.3417 k = 0.4524 0.3712 0.4019 ( 1376 PWs) bands (ev): -69.3879 -69.3879 -37.8349 -37.8314 -25.8364 -25.8205 -25.6231 -25.6210 -3.4348 -3.4330 3.2852 3.4198 8.3640 8.4035 9.7196 9.7753 10.4580 10.4586 11.7613 11.7840 14.6411 14.7343 15.5957 15.6551 17.5450 17.9066 18.1738 18.8470 19.2595 19.2801 19.7337 19.7340 24.2295 24.4151 k = 0.4476 0.3794 0.4019 ( 1380 PWs) bands (ev): -69.3878 -69.3878 -37.8353 -37.8314 -25.8367 -25.8192 -25.6251 -25.6226 -3.4331 -3.4311 3.2875 3.4345 8.3530 8.3961 9.7069 9.7665 10.4588 10.4594 11.7885 11.8137 14.6224 14.7226 15.6093 15.6752 17.4883 17.8469 18.1407 18.8410 19.2659 19.2748 19.7441 19.7530 24.2966 24.4926 k = 0.4429 0.3876 0.4019 ( 1384 PWs) bands (ev): -69.3878 -69.3878 -37.8357 -37.8315 -25.8370 -25.8179 -25.6272 -25.6243 -3.4312 -3.4291 3.2905 3.4497 8.3411 8.3877 9.6949 9.7580 10.4579 10.4600 11.8185 11.8463 14.6017 14.7083 15.6241 15.6967 17.4305 17.7796 18.1114 18.8318 19.2690 19.2738 19.7544 19.7735 24.3689 24.5737 k = 0.4381 0.3959 0.4019 ( 1384 PWs) bands (ev): -69.3877 -69.3877 -37.8361 -37.8316 -25.8372 -25.8165 -25.6294 -25.6260 -3.4293 -3.4271 3.2940 3.4652 8.3285 8.3784 9.6838 9.7501 10.4561 10.4598 11.8513 11.8818 14.5790 14.6913 15.6403 15.7197 17.3722 17.7078 18.0838 18.8195 19.2629 19.2831 19.7645 19.7951 24.4458 24.6580 k = 0.4333 0.4041 0.4019 ( 1388 PWs) bands (ev): -69.3876 -69.3876 -37.8365 -37.8318 -25.8375 -25.8151 -25.6317 -25.6278 -3.4273 -3.4249 3.2982 3.4809 8.3150 8.3682 9.6737 9.7430 10.4531 10.4585 11.8869 11.9202 14.5540 14.6712 15.6576 15.7441 17.3139 17.6336 18.0561 18.8042 19.2569 19.2939 19.7743 19.8178 24.5267 24.7449 k = 0.4286 0.4124 0.4019 ( 1388 PWs) bands (ev): -69.3875 -69.3875 -37.8369 -37.8319 -25.8377 -25.8136 -25.6340 -25.6297 -3.4251 -3.4226 3.3028 3.4967 8.3009 8.3571 9.6649 9.7368 10.4490 10.4561 11.9253 11.9614 14.5265 14.6478 15.6760 15.7699 17.2561 17.5587 18.0275 18.7861 19.2512 19.3061 19.7837 19.8412 24.6111 24.8340 k = 0.4238 0.4206 0.4019 ( 1388 PWs) bands (ev): -69.3875 -69.3875 -37.8373 -37.8320 -25.8379 -25.8122 -25.6365 -25.6315 -3.4229 -3.4202 3.3079 3.5126 8.2862 8.3451 9.6574 9.7317 10.4437 10.4527 11.9666 12.0055 14.4962 14.6209 15.6955 15.7971 17.1994 17.4844 17.9974 18.7653 19.2461 19.3196 19.7926 19.8652 24.6983 24.9249 k = 0.4190 0.4289 0.4019 ( 1388 PWs) bands (ev): -69.3874 -69.3874 -37.8378 -37.8322 -25.8381 -25.8108 -25.6390 -25.6334 -3.4207 -3.4179 3.3133 3.5285 8.2710 8.3325 9.6512 9.7278 10.4373 10.4481 12.0107 12.0525 14.4629 14.5902 15.7159 15.8256 17.1444 17.4115 17.9656 18.7421 19.2416 19.3344 19.8010 19.8894 24.7877 25.0171 k = 0.4143 0.4371 0.4019 ( 1392 PWs) bands (ev): -69.3873 -69.3873 -37.8382 -37.8324 -25.8384 -25.8094 -25.6415 -25.6353 -3.4184 -3.4154 3.3191 3.5442 8.2553 8.3193 9.6466 9.7250 10.4297 10.4423 12.0576 12.1024 14.4265 14.5554 15.7371 15.8554 17.0913 17.3409 17.9320 18.7166 19.2378 19.3502 19.8086 19.9138 24.8787 25.1101 k = 0.4095 0.4454 0.4019 ( 1392 PWs) bands (ev): -69.3872 -69.3872 -37.8386 -37.8326 -25.8386 -25.8080 -25.6441 -25.6371 -3.4161 -3.4130 3.3250 3.5597 8.2394 8.3056 9.6433 9.7235 10.4212 10.4355 12.1074 12.1552 14.3866 14.5164 15.7592 15.8863 17.0408 17.2733 17.8967 18.6893 19.2348 19.3670 19.8156 19.9380 24.9708 25.2034 k = 0.4048 0.4536 0.4019 ( 1388 PWs) bands (ev): -69.3871 -69.3871 -37.8390 -37.8327 -25.8388 -25.8066 -25.6466 -25.6389 -3.4138 -3.4106 3.3312 3.5750 8.2233 8.2915 9.6416 9.7232 10.4116 10.4277 12.1600 12.2109 14.3432 14.4729 15.7820 15.9185 16.9932 17.2091 17.8597 18.6604 19.2327 19.3848 19.8218 19.9620 25.0632 25.2966 k = 0.4000 0.4619 0.4019 ( 1380 PWs) bands (ev): -69.3870 -69.3870 -37.8394 -37.8329 -25.8390 -25.8053 -25.6490 -25.6406 -3.4115 -3.4082 3.3374 3.5897 8.2072 8.2772 9.6412 9.7241 10.4012 10.4189 12.2154 12.2694 14.2961 14.4249 15.8053 15.9519 16.9488 17.1487 17.8213 18.6304 19.2315 19.4033 19.8272 19.9854 25.1553 25.3891 k = 0.3952 0.4701 0.4019 ( 1380 PWs) bands (ev): -69.3869 -69.3869 -37.8398 -37.8331 -25.8393 -25.8040 -25.6514 -25.6423 -3.4093 -3.4059 3.3436 3.6040 8.1913 8.2629 9.6420 9.7261 10.3900 10.4093 12.2736 12.3308 14.2451 14.3724 15.8291 15.9863 16.9078 17.0924 17.7814 18.5995 19.2308 19.4223 19.8316 20.0080 25.2465 25.4804 k = 0.3905 0.4784 0.4019 ( 1376 PWs) bands (ev): -69.3868 -69.3868 -37.8401 -37.8333 -25.8395 -25.8028 -25.6538 -25.6439 -3.4071 -3.4035 3.3498 3.6177 8.1756 8.2486 9.6441 9.7292 10.3782 10.3989 12.3345 12.3950 14.1903 14.3153 15.8532 16.0216 16.8705 17.0404 17.7407 18.5681 19.2309 19.4418 19.8350 20.0298 25.3359 25.5699 k = 0.3857 0.4866 0.4019 ( 1380 PWs) bands (ev): -69.3868 -69.3868 -37.8405 -37.8335 -25.8398 -25.8017 -25.6561 -25.6454 -3.4050 -3.4013 3.3559 3.6308 8.1603 8.2347 9.6472 9.7332 10.3660 10.3879 12.3980 12.4619 14.1317 14.2538 15.8773 16.0578 16.8365 16.9926 17.6991 18.5366 19.2315 19.4614 19.8374 20.0504 25.4228 25.6569 k = 0.3810 0.4949 0.4019 ( 1380 PWs) bands (ev): -69.3867 -69.3867 -37.8409 -37.8337 -25.8401 -25.8006 -25.6582 -25.6468 -3.4030 -3.3992 3.3617 3.6430 8.1457 8.2211 9.6512 9.7381 10.3535 10.3766 12.4640 12.5316 14.0694 14.1880 15.9015 16.0948 16.8061 16.9491 17.6574 18.5055 19.2327 19.4811 19.8388 20.0699 25.5065 25.7407 k = 0.3762 0.5031 0.4019 ( 1384 PWs) bands (ev): -69.3866 -69.3866 -37.8412 -37.8339 -25.8404 -25.7997 -25.6602 -25.6481 -3.4011 -3.3972 3.3673 3.6544 8.1318 8.2082 9.6559 9.7435 10.3409 10.3650 12.5325 12.6038 14.0036 14.1181 15.9254 16.1325 16.7791 16.9095 17.6157 18.4751 19.2342 19.5006 19.8391 20.0879 25.5861 25.8206 k = 0.3714 0.5114 0.4019 ( 1388 PWs) bands (ev): -69.3866 -69.3866 -37.8415 -37.8341 -25.8407 -25.7989 -25.6620 -25.6493 -3.3993 -3.3954 3.3725 3.6649 8.1188 8.1960 9.6612 9.7494 10.3285 10.3534 12.6031 12.6785 13.9347 14.0445 15.9488 16.1706 16.7554 16.8736 17.5750 18.4461 19.2360 19.5198 19.8385 20.1044 25.6606 25.8956 k = 0.3667 0.5196 0.4019 ( 1384 PWs) bands (ev): -69.3865 -69.3865 -37.8418 -37.8342 -25.8410 -25.7982 -25.6637 -25.6503 -3.3977 -3.3937 3.3774 3.6743 8.1069 8.1847 9.6667 9.7556 10.3165 10.3421 12.6759 12.7556 13.8629 13.9675 15.9714 16.2092 16.7349 16.8409 17.5359 18.4188 19.2381 19.5383 19.8369 20.1193 25.7293 25.9650 k = 0.3619 0.5279 0.4019 ( 1382 PWs) bands (ev): -69.3865 -69.3865 -37.8420 -37.8343 -25.8413 -25.7975 -25.6651 -25.6512 -3.3962 -3.3922 3.3818 3.6827 8.0961 8.1745 9.6723 9.7617 10.3053 10.3313 12.7503 12.8351 13.7886 13.8875 15.9928 16.2476 16.7172 16.8109 17.4991 18.3938 19.2402 19.5560 19.8345 20.1325 25.7911 26.0277 k = 0.3571 0.5361 0.4019 ( 1382 PWs) bands (ev): -69.3864 -69.3864 -37.8422 -37.8345 -25.8416 -25.7970 -25.6663 -25.6520 -3.3949 -3.3908 3.3856 3.6900 8.0867 8.1656 9.6776 9.7677 10.2950 10.3214 12.8260 12.9166 13.7127 13.8049 16.0125 16.2855 16.7022 16.7828 17.4655 18.3715 19.2424 19.5724 19.8314 20.1438 25.8450 26.0828 k = 0.3524 0.5444 0.4019 ( 1382 PWs) bands (ev): -69.3864 -69.3864 -37.8424 -37.8346 -25.8419 -25.7966 -25.6674 -25.6526 -3.3938 -3.3897 3.3889 3.6961 8.0788 8.1580 9.6826 9.7731 10.2860 10.3126 12.9021 12.9999 13.6361 13.7202 16.0301 16.3221 16.6898 16.7564 17.4362 18.3523 19.2443 19.5871 19.8279 20.1531 25.8904 26.1293 k = 0.3476 0.5526 0.4019 ( 1382 PWs) bands (ev): -69.3863 -69.3863 -37.8425 -37.8347 -25.8421 -25.7964 -25.6682 -25.6531 -3.3929 -3.3888 3.3916 3.7009 8.0724 8.1518 9.6868 9.7777 10.2785 10.3052 12.9772 13.0847 13.5603 13.6340 16.0450 16.3562 16.6799 16.7319 17.4121 18.3367 19.2461 19.5996 19.8244 20.1605 25.9264 26.1664 k = 0.3429 0.5609 0.4019 ( 1374 PWs) bands (ev): -69.3863 -69.3863 -37.8426 -37.8347 -25.8422 -25.7961 -25.6687 -25.6534 -3.3923 -3.3881 3.3935 3.7044 8.0677 8.1474 9.6900 9.7813 10.2730 10.2997 13.0481 13.1701 13.4888 13.5474 16.0565 16.3857 16.6727 16.7102 17.3942 18.3252 19.2476 19.6093 19.8215 20.1659 25.9524 26.1934 k = 0.3381 0.5691 0.4019 ( 1374 PWs) bands (ev): -69.3863 -69.3863 -37.8427 -37.8348 -25.8423 -25.7960 -25.6690 -25.6536 -3.3919 -3.3877 3.3947 3.7065 8.0648 8.1446 9.6921 9.7835 10.2695 10.2962 13.1063 13.2527 13.4302 13.4640 16.0639 16.4069 16.6682 16.6941 17.3832 18.3181 19.2485 19.6155 19.8193 20.1691 25.9681 26.2096 k = 0.3333 0.5774 0.4019 ( 1374 PWs) bands (ev): -69.3863 -69.3863 -37.8427 -37.8348 -25.8424 -25.7960 -25.6691 -25.6536 -3.3918 -3.3876 3.3952 3.7072 8.0639 8.1436 9.6928 9.7843 10.2683 10.2949 13.1315 13.3046 13.4048 13.4118 16.0665 16.4150 16.6666 16.6878 17.3794 18.3157 19.2488 19.6177 19.8185 20.1701 25.9733 26.2151 k = 0.3333 0.5774 0.4019 ( 1374 PWs) bands (ev): -69.3863 -69.3863 -37.8427 -37.8348 -25.8424 -25.7960 -25.6691 -25.6536 -3.3918 -3.3876 3.3952 3.7072 8.0639 8.1436 9.6928 9.7843 10.2683 10.2949 13.1315 13.3046 13.4048 13.4118 16.0665 16.4150 16.6666 16.6878 17.3794 18.3157 19.2488 19.6177 19.8185 20.1701 25.9733 26.2151 k = 0.3286 0.5691 0.4019 ( 1374 PWs) bands (ev): -69.3863 -69.3863 -37.8427 -37.8348 -25.8423 -25.7960 -25.6690 -25.6536 -3.3919 -3.3877 3.3947 3.7065 8.0649 8.1446 9.6920 9.7835 10.2695 10.2962 13.1059 13.2520 13.4305 13.4647 16.0637 16.4062 16.6683 16.6947 17.3832 18.3181 19.2485 19.6154 19.8194 20.1691 25.9682 26.2097 k = 0.3238 0.5609 0.4019 ( 1378 PWs) bands (ev): -69.3863 -69.3863 -37.8426 -37.8347 -25.8422 -25.7961 -25.6687 -25.6534 -3.3923 -3.3882 3.3934 3.7043 8.0679 8.1476 9.6898 9.7810 10.2732 10.3000 13.0460 13.1669 13.4910 13.5508 16.0550 16.3808 16.6732 16.7146 17.3943 18.3257 19.2472 19.6086 19.8218 20.1658 25.9532 26.1942 k = 0.3190 0.5526 0.4019 ( 1378 PWs) bands (ev): -69.3863 -69.3863 -37.8425 -37.8347 -25.8419 -25.7962 -25.6682 -25.6531 -3.3931 -3.3889 3.3911 3.7005 8.0732 8.1527 9.6862 9.7770 10.2795 10.3064 12.9721 13.0777 13.5660 13.6420 16.0401 16.3424 16.6814 16.7439 17.4125 18.3384 19.2452 19.5975 19.8255 20.1604 25.9289 26.1691 k = 0.3143 0.5444 0.4019 ( 1380 PWs) bands (ev): -69.3864 -69.3864 -37.8423 -37.8345 -25.8416 -25.7963 -25.6675 -25.6527 -3.3941 -3.3900 3.3879 3.6952 8.0806 8.1599 9.6812 9.7714 10.2882 10.3153 12.8927 12.9876 13.6468 13.7348 16.0190 16.2948 16.6929 16.7792 17.4373 18.3561 19.2421 19.5825 19.8302 20.1529 25.8961 26.1354 k = 0.3095 0.5361 0.4019 ( 1384 PWs) bands (ev): -69.3864 -69.3864 -37.8421 -37.8344 -25.8411 -25.7963 -25.6667 -25.6522 -3.3954 -3.3913 3.3837 3.6884 8.0903 8.1694 9.6750 9.7645 10.2993 10.3265 12.8112 12.8977 13.7300 13.8282 15.9917 16.2405 16.7075 16.8182 17.4681 18.3787 19.2380 19.5640 19.8351 20.1432 25.8560 26.0944 k = 0.3048 0.5279 0.4019 ( 1384 PWs) bands (ev): -69.3865 -69.3865 -37.8419 -37.8342 -25.8404 -25.7963 -25.6657 -25.6515 -3.3971 -3.3930 3.3784 3.6799 8.1023 8.1812 9.6679 9.7565 10.3124 10.3399 12.7292 12.8085 13.8138 13.9216 15.9586 16.1815 16.7249 16.8598 17.5047 18.4062 19.2328 19.5424 19.8399 20.1315 25.8095 26.0473 k = 0.3000 0.5196 0.4019 ( 1380 PWs) bands (ev): -69.3866 -69.3866 -37.8415 -37.8340 -25.8395 -25.7962 -25.6645 -25.6508 -3.3991 -3.3951 3.3720 3.6699 8.1167 8.1952 9.6600 9.7477 10.3276 10.3553 12.6476 12.7205 13.8974 14.0147 15.9202 16.1188 16.7449 16.9031 17.5465 18.4383 19.2263 19.5181 19.8441 20.1177 25.7578 25.9952 k = 0.2952 0.5114 0.4019 ( 1376 PWs) bands (ev): -69.3866 -69.3866 -37.8412 -37.8337 -25.8384 -25.7960 -25.6633 -25.6500 -3.4014 -3.3975 3.3645 3.6582 8.1336 8.2117 9.6516 9.7383 10.3445 10.3725 12.5669 12.6337 13.9798 14.1069 15.8767 16.0533 16.7672 16.9477 17.5928 18.4745 19.2186 19.4914 19.8475 20.1019 25.7021 25.9393 k = 0.2905 0.5031 0.4019 ( 1372 PWs) bands (ev): -69.3867 -69.3867 -37.8407 -37.8334 -25.8372 -25.7957 -25.6619 -25.6492 -3.4040 -3.4002 3.3558 3.6448 8.1528 8.2306 9.6430 9.7286 10.3630 10.3911 12.4876 12.5486 14.0605 14.1977 15.8288 15.9857 16.7916 16.9934 17.6433 18.5145 19.2097 19.4625 19.8497 20.0842 25.6433 25.8808 k = 0.2857 0.4949 0.4019 ( 1372 PWs) bands (ev): -69.3869 -69.3869 -37.8403 -37.8330 -25.8358 -25.7952 -25.6604 -25.6483 -3.4070 -3.4033 3.3460 3.6298 8.1745 8.2519 9.6343 9.7188 10.3828 10.4111 12.4099 12.4652 14.1387 14.2869 15.7769 15.9166 16.8180 17.0401 17.6974 18.5578 19.1996 19.4316 19.8505 20.0644 25.5826 25.8206 k = 0.2810 0.4866 0.4019 ( 1372 PWs) bands (ev): -69.3870 -69.3870 -37.8397 -37.8326 -25.8342 -25.7947 -25.6589 -25.6473 -3.4104 -3.4067 3.3349 3.6132 8.1986 8.2756 9.6258 9.7091 10.4038 10.4322 12.3342 12.3838 14.2138 14.3738 15.7213 15.8463 16.8462 17.0879 17.7548 18.6039 19.1883 19.3989 19.8498 20.0428 25.5208 25.7596 k = 0.2762 0.4784 0.4019 ( 1372 PWs) bands (ev): -69.3871 -69.3871 -37.8391 -37.8321 -25.8323 -25.7939 -25.6573 -25.6463 -3.4140 -3.4105 3.3226 3.5949 8.2252 8.3017 9.6177 9.6998 10.4258 10.4543 12.2606 12.3047 14.2852 14.4580 15.6624 15.7755 16.8764 17.1367 17.8152 18.6524 19.1761 19.3645 19.8473 20.0194 25.4589 25.6985 k = 0.2714 0.4701 0.4019 ( 1368 PWs) bands (ev): -69.3873 -69.3873 -37.8385 -37.8316 -25.8302 -25.7930 -25.6557 -25.6452 -3.4180 -3.4146 3.3091 3.5750 8.2543 8.3303 9.6101 9.6911 10.4486 10.4772 12.1894 12.2280 14.3522 14.5390 15.6008 15.7046 16.9085 17.1867 17.8782 18.7025 19.1632 19.3285 19.8431 19.9941 25.3975 25.6382 k = 0.2667 0.4619 0.4019 ( 1364 PWs) bands (ev): -69.3874 -69.3874 -37.8378 -37.8311 -25.8279 -25.7918 -25.6539 -25.6440 -3.4224 -3.4190 3.2942 3.5534 8.2859 8.3614 9.6033 9.6831 10.4720 10.5007 12.1208 12.1539 14.4140 14.6161 15.5366 15.6340 16.9429 17.2380 17.9434 18.7532 19.1503 19.2912 19.8372 19.9673 25.3372 25.5790 k = 0.2619 0.4536 0.4019 ( 1372 PWs) bands (ev): -69.3877 -69.3877 -37.8370 -37.8305 -25.8254 -25.7905 -25.6522 -25.6429 -3.4270 -3.4238 3.2780 3.5301 8.3199 8.3948 9.5973 9.6759 10.4960 10.5247 12.0548 12.0823 14.4697 14.6888 15.4702 15.5645 16.9795 17.2907 18.0104 18.8030 19.1383 19.2525 19.8292 19.9387 25.2787 25.5214 k = 0.2571 0.4454 0.4019 ( 1372 PWs) bands (ev): -69.3879 -69.3879 -37.8362 -37.8299 -25.8227 -25.7890 -25.6505 -25.6418 -3.4320 -3.4289 3.2605 3.5053 8.3563 8.4308 9.5924 9.6698 10.5204 10.5490 11.9918 12.0137 14.5184 14.7567 15.4019 15.4966 17.0188 17.3450 18.0791 18.8498 19.1292 19.2125 19.8194 19.9086 25.2222 25.4657 k = 0.2524 0.4371 0.4019 ( 1376 PWs) bands (ev): -69.3881 -69.3881 -37.8354 -37.8292 -25.8197 -25.7872 -25.6488 -25.6406 -3.4374 -3.4343 3.2416 3.4788 8.3952 8.4691 9.5887 9.6648 10.5451 10.5737 11.9317 11.9481 14.5591 14.8189 15.3319 15.4314 17.0609 17.4010 18.1491 18.8894 19.1267 19.1715 19.8076 19.8771 25.1682 25.4121 k = 0.2476 0.4289 0.4019 ( 1372 PWs) bands (ev): -69.3883 -69.3883 -37.8344 -37.8284 -25.8164 -25.7852 -25.6470 -25.6394 -3.4430 -3.4400 3.2214 3.4508 8.4365 8.5098 9.5862 9.6611 10.5700 10.5986 11.8748 11.8856 14.5903 14.8751 15.2608 15.3698 17.1063 17.4589 18.2201 18.9161 19.1295 19.1361 19.7940 19.8445 25.1166 25.3607 k = 0.2429 0.4206 0.4019 ( 1372 PWs) bands (ev): -69.3885 -69.3885 -37.8335 -37.8276 -25.8129 -25.7830 -25.6453 -25.6382 -3.4489 -3.4461 3.1999 3.4212 8.4801 8.5528 9.5850 9.6587 10.5949 10.6235 11.8211 11.8263 14.6107 14.9241 15.1891 15.3133 17.1551 17.5187 18.2918 18.9259 19.0866 19.1610 19.7786 19.8109 25.0676 25.3113 k = 0.2381 0.4124 0.4019 ( 1372 PWs) bands (ev): -69.3888 -69.3888 -37.8324 -37.8268 -25.8091 -25.7805 -25.6435 -25.6370 -3.4551 -3.4524 3.1769 3.3900 8.5260 8.5981 9.5854 9.6578 10.6199 10.6485 11.7703 11.7707 14.6188 14.9640 15.1188 15.2632 17.2075 17.5805 18.3639 18.9206 19.0430 19.1989 19.7615 19.7768 25.0211 25.2640 k = 0.2333 0.4041 0.4019 ( 1380 PWs) bands (ev): -69.3891 -69.3891 -37.8314 -37.8260 -25.8052 -25.7779 -25.6418 -25.6359 -3.4616 -3.4591 3.1527 3.3574 8.5742 8.6456 9.5872 9.6583 10.6449 10.6734 11.7178 11.7237 14.6134 14.9832 15.0613 15.2204 17.2635 17.6442 18.4359 18.9052 18.9986 19.2439 19.7428 19.7430 24.9769 25.2183 k = 0.2286 0.3959 0.4019 ( 1380 PWs) bands (ev): -69.3894 -69.3894 -37.8303 -37.8250 -25.8009 -25.7749 -25.6401 -25.6347 -3.4684 -3.4659 3.1271 3.3234 8.6246 8.6954 9.5907 9.6605 10.6697 10.6982 11.6687 11.6801 14.5944 14.9427 15.0556 15.1855 17.3236 17.7100 18.5076 18.8838 18.9538 19.2907 19.7109 19.7229 24.9348 25.1741 k = 0.2238 0.3876 0.4019 ( 1380 PWs) bands (ev): -69.3897 -69.3897 -37.8291 -37.8241 -25.7965 -25.7718 -25.6384 -25.6335 -3.4754 -3.4731 3.1001 3.2879 8.6772 8.7473 9.5958 9.6643 10.6944 10.7228 11.6232 11.6401 14.5624 14.8722 15.0721 15.1576 17.3874 17.7777 18.5784 18.8585 18.9087 19.3343 19.6832 19.7019 24.8942 25.1307 k = 0.2190 0.3794 0.4019 ( 1380 PWs) bands (ev): -69.3900 -69.3900 -37.8279 -37.8231 -25.7918 -25.7683 -25.6367 -25.6323 -3.4827 -3.4805 3.0719 3.2511 8.7318 8.8012 9.6026 9.6699 10.7188 10.7471 11.5812 11.6036 14.5192 14.7966 15.0864 15.1352 17.4550 17.8472 18.6479 18.8305 18.8635 19.3687 19.6646 19.6804 24.8548 25.0878 k = 0.2143 0.3712 0.4019 ( 1378 PWs) bands (ev): -69.3903 -69.3903 -37.8266 -37.8220 -25.7869 -25.7647 -25.6351 -25.6311 -3.4901 -3.4881 3.0424 3.2131 8.7885 8.8571 9.6112 9.6772 10.7429 10.7712 11.5430 11.5706 14.4671 14.7192 15.0951 15.1162 17.5261 17.9182 18.7153 18.8007 18.8185 19.3862 19.6589 19.6621 24.8159 25.0448 k = 0.2095 0.3629 0.4019 ( 1374 PWs) bands (ev): -69.3906 -69.3906 -37.8253 -37.8209 -25.7818 -25.7608 -25.6334 -25.6300 -3.4978 -3.4958 3.0116 3.1738 8.8471 8.9150 9.6216 9.6864 10.7668 10.7949 11.5085 11.5412 14.4083 14.6410 15.0979 15.0987 17.6006 17.9902 18.7695 18.7715 18.7823 19.3821 19.6382 19.6801 24.7769 25.0009 k = 0.2048 0.3547 0.4019 ( 1378 PWs) bands (ev): -69.3910 -69.3910 -37.8240 -37.8198 -25.7765 -25.7568 -25.6319 -25.6288 -3.5057 -3.5038 2.9796 3.1333 8.9075 8.9747 9.6337 9.6973 10.7902 10.8182 11.4776 11.5154 14.3444 14.5622 15.0813 15.0949 17.6778 18.0626 18.7300 18.7372 18.8409 19.3594 19.6193 19.7151 24.7371 24.9555 k = 0.2000 0.3464 0.4019 ( 1374 PWs) bands (ev): -69.3913 -69.3913 -37.8226 -37.8186 -25.7710 -25.7525 -25.6303 -25.6277 -3.5137 -3.5120 2.9465 3.0918 8.9697 9.0361 9.6478 9.7101 10.8133 10.8411 11.4505 11.4932 14.2771 14.4831 15.0629 15.0865 17.7575 18.1342 18.6887 18.7042 18.8961 19.3248 19.6039 19.7606 24.6959 24.9080 k = 0.1952 0.3382 0.4019 ( 1374 PWs) bands (ev): -69.3917 -69.3917 -37.8212 -37.8174 -25.7653 -25.7480 -25.6288 -25.6266 -3.5219 -3.5203 2.9122 3.0492 9.0335 9.0992 9.6637 9.7248 10.8360 10.8636 11.4271 11.4744 14.2073 14.4039 15.0427 15.0730 17.8391 18.2030 18.6512 18.6709 18.9439 19.2832 19.5938 19.8116 24.6525 24.8578 k = 0.1905 0.3299 0.4019 ( 1374 PWs) bands (ev): -69.3920 -69.3920 -37.8198 -37.8162 -25.7594 -25.7434 -25.6273 -25.6255 -3.5303 -3.5288 2.8768 3.0057 9.0989 9.1638 9.6815 9.7414 10.8583 10.8856 11.4074 11.4591 14.1358 14.3246 15.0205 15.0548 17.9217 18.2647 18.6215 18.6376 18.9825 19.2375 19.5913 19.8653 24.6062 24.8041 k = 0.1857 0.3217 0.4019 ( 1378 PWs) bands (ev): -69.3924 -69.3924 -37.8184 -37.8150 -25.7535 -25.7386 -25.6259 -25.6245 -3.5388 -3.5374 2.8405 2.9614 9.1657 9.2299 9.7011 9.7600 10.8802 10.9070 11.3913 11.4471 14.0632 14.2454 14.9960 15.0324 18.0045 18.3115 18.6048 18.6071 19.0098 19.1894 19.5985 19.9202 24.5564 24.7465 k = 0.1810 0.3134 0.4019 ( 1378 PWs) bands (ev): -69.3928 -69.3928 -37.8169 -37.8137 -25.7473 -25.7336 -25.6244 -25.6234 -3.5474 -3.5461 2.8032 2.9164 9.2338 9.2972 9.7227 9.7804 10.9016 10.9279 11.3790 11.4385 13.9901 14.1664 14.9693 15.0064 18.0859 18.3327 18.5734 18.6178 19.0254 19.1403 19.6167 19.9756 24.5026 24.6844 k = 0.1762 0.3052 0.4019 ( 1378 PWs) bands (ev): -69.3932 -69.3932 -37.8154 -37.8124 -25.7411 -25.7284 -25.6230 -25.6224 -3.5560 -3.5548 2.7651 2.8707 9.3031 9.3657 9.7461 9.8029 10.9226 10.9482 11.3702 11.4332 13.9167 14.0877 14.9403 14.9772 18.1634 18.3261 18.5450 18.6545 19.0307 19.0914 19.6459 20.0309 24.4443 24.6176 k = 0.1714 0.2969 0.4019 ( 1374 PWs) bands (ev): -69.3936 -69.3936 -37.8139 -37.8111 -25.7348 -25.7232 -25.6216 -25.6213 -3.5648 -3.5637 2.7262 2.8245 9.3734 9.4353 9.7714 9.8272 10.9432 10.9679 11.3650 11.4310 13.8434 14.0095 14.9094 14.9451 18.2323 18.3009 18.5226 18.7052 19.0298 19.0445 19.6845 20.0859 24.3812 24.5458 k = 0.1667 0.2887 0.4019 ( 1374 PWs) bands (ev): -69.3940 -69.3940 -37.8124 -37.8097 -25.7283 -25.7178 -25.6202 -25.6202 -3.5735 -3.5725 2.6867 2.7778 9.4446 9.5059 9.7985 9.8535 10.9633 10.9871 11.3633 11.4319 13.7704 13.9318 14.8766 14.9107 18.2661 18.2835 18.5127 18.7550 19.0022 19.0305 19.7304 20.1401 24.3129 24.4688 k = 0.1619 0.2804 0.4019 ( 1378 PWs) bands (ev): -69.3944 -69.3944 -37.8108 -37.8084 -25.7219 -25.7124 -25.6192 -25.6189 -3.5823 -3.5814 2.6465 2.7308 9.5164 9.5771 9.8274 9.8818 10.9830 11.0056 11.3649 11.4358 13.6980 13.8547 14.8421 14.8743 18.2265 18.3065 18.5210 18.7887 18.9695 19.0451 19.7816 20.1935 24.2395 24.3866 k = 0.1571 0.2722 0.4019 ( 1380 PWs) bands (ev): -69.3948 -69.3948 -37.8093 -37.8070 -25.7154 -25.7069 -25.6181 -25.6175 -3.5911 -3.5903 2.6058 2.6835 9.5887 9.6490 9.8581 9.9121 11.0023 11.0234 11.3698 11.4424 13.6262 13.7785 14.8063 14.8362 18.1847 18.3022 18.5392 18.7955 18.9539 19.0838 19.8364 20.2460 24.1608 24.2994 k = 0.1524 0.2639 0.4019 ( 1380 PWs) bands (ev): -69.3952 -69.3952 -37.8078 -37.8056 -25.7089 -25.7014 -25.6170 -25.6161 -3.5999 -3.5992 2.5648 2.6362 9.6612 9.7213 9.8905 9.9444 11.0211 11.0407 11.3778 11.4518 13.5553 13.7031 14.7693 14.7969 18.1417 18.2820 18.5472 18.7784 18.9640 19.1436 19.8936 20.2975 24.0772 24.2073 k = 0.1476 0.2557 0.4019 ( 1376 PWs) bands (ev): -69.3956 -69.3956 -37.8062 -37.8043 -25.7024 -25.6958 -25.6159 -25.6147 -3.6087 -3.6080 2.5234 2.5888 9.7336 9.7938 9.9247 9.9788 11.0394 11.0574 11.3889 11.4639 13.4856 13.6289 14.7314 14.7567 18.0982 18.2544 18.5339 18.7466 19.0024 19.2155 19.9522 20.3479 23.9888 24.1107 k = 0.1429 0.2474 0.4019 ( 1376 PWs) bands (ev): -69.3960 -69.3960 -37.8047 -37.8029 -25.6960 -25.6903 -25.6147 -25.6132 -3.6174 -3.6168 2.4819 2.5415 9.8056 9.8664 9.9606 10.0155 11.0573 11.0734 11.4029 11.4784 13.4170 13.5557 14.6928 14.7157 18.0547 18.2233 18.5020 18.7062 19.0627 19.2937 20.0115 20.3971 23.8959 24.0100 k = 0.1381 0.2392 0.4019 ( 1372 PWs) bands (ev): -69.3964 -69.3964 -37.8031 -37.8015 -25.6897 -25.6848 -25.6135 -25.6117 -3.6261 -3.6255 2.4403 2.4945 9.8766 9.9386 9.9983 10.0547 11.0746 11.0887 11.4197 11.4953 13.3497 13.4838 14.6537 14.6743 18.0114 18.1904 18.4579 18.6607 19.1367 19.3749 20.0709 20.4450 23.7991 23.9055 k = 0.1333 0.2309 0.4019 ( 1372 PWs) bands (ev): -69.3968 -69.3968 -37.8016 -37.8001 -25.6835 -25.6794 -25.6121 -25.6101 -3.6346 -3.6341 2.3987 2.4477 9.9461 10.0096 10.0385 10.0968 11.0913 11.1035 11.4390 11.5144 13.2839 13.4133 14.6144 14.6328 17.9684 18.1565 18.4069 18.6118 19.2184 19.4576 20.1301 20.4916 23.6986 23.7977 k = 0.1286 0.2227 0.4019 ( 1372 PWs) bands (ev): -69.3972 -69.3972 -37.8001 -37.7987 -25.6775 -25.6742 -25.6107 -25.6085 -3.6430 -3.6426 2.3573 2.4015 10.0130 10.0707 10.0894 10.1424 11.1074 11.1176 11.4608 11.5356 13.2197 13.3443 14.5749 14.5913 17.9260 18.1220 18.3520 18.5607 19.3045 19.5408 20.1888 20.5369 23.5951 23.6873 k = 0.1238 0.2144 0.4019 ( 1378 PWs) bands (ev): -69.3976 -69.3976 -37.7986 -37.7974 -25.6717 -25.6692 -25.6091 -25.6067 -3.6514 -3.6510 2.3161 2.3557 10.0764 10.1156 10.1572 10.1922 11.1229 11.1310 11.4847 11.5587 13.1573 13.2770 14.5355 14.5500 17.8842 18.0870 18.2952 18.5079 19.3927 19.6238 20.2468 20.5807 23.4890 23.5746 k = 0.1190 0.2062 0.4019 ( 1378 PWs) bands (ev): -69.3980 -69.3980 -37.7972 -37.7961 -25.6662 -25.6643 -25.6073 -25.6048 -3.6595 -3.6592 2.2753 2.3107 10.1356 10.1590 10.2268 10.2467 11.1377 11.1439 11.5107 11.5836 13.0968 13.2115 14.4964 14.5091 17.8432 18.0514 18.2379 18.4543 19.4820 19.7062 20.3039 20.6231 23.3809 23.4602 k = 0.1143 0.1979 0.4019 ( 1378 PWs) bands (ev): -69.3983 -69.3983 -37.7957 -37.7947 -25.6610 -25.6597 -25.6054 -25.6027 -3.6675 -3.6672 2.2350 2.2664 10.1907 10.2031 10.2958 10.3053 11.1519 11.1561 11.5386 11.6101 13.0383 13.1479 14.4578 14.4688 17.8030 18.0149 18.1812 18.4001 19.5715 19.7878 20.3599 20.6640 23.2714 23.3448 k = 0.1095 0.1897 0.4019 ( 1374 PWs) bands (ev): -69.3987 -69.3987 -37.7943 -37.7934 -25.6562 -25.6554 -25.6031 -25.6003 -3.6753 -3.6751 2.1953 2.2230 10.2428 10.2481 10.3635 10.3668 11.1654 11.1677 11.5680 11.6378 12.9820 13.0864 14.4197 14.4292 17.7639 17.9774 18.1262 18.3457 19.6607 19.8681 20.4148 20.7034 23.1610 23.2288 k = 0.1048 0.1815 0.4019 ( 1378 PWs) bands (ev): -69.3991 -69.3991 -37.7929 -37.7922 -25.6518 -25.6515 -25.6006 -25.5978 -3.6830 -3.6827 2.1563 2.1806 10.2929 10.2939 10.4296 10.4297 11.1782 11.1787 11.5988 11.6667 12.9279 13.0270 14.3822 14.3904 17.7256 17.9380 18.0740 18.2915 19.7490 19.9469 20.4684 20.7411 23.0502 23.1127 k = 0.1000 0.1732 0.4019 ( 1378 PWs) bands (ev): -69.3995 -69.3995 -37.7916 -37.7909 -25.6479 -25.6479 -25.5978 -25.5951 -3.6904 -3.6902 2.1181 2.1394 10.3405 10.3419 10.4925 10.4941 11.1892 11.1903 11.6306 11.6963 12.8763 12.9700 14.3456 14.3526 17.6885 17.8962 18.0255 18.2377 19.8362 20.0239 20.5206 20.7773 22.9396 22.9970 k = 0.0952 0.1650 0.4019 ( 1378 PWs) bands (ev): -69.3998 -69.3998 -37.7903 -37.7897 -25.6447 -25.6445 -25.5947 -25.5921 -3.6975 -3.6974 2.0809 2.0993 10.3876 10.3903 10.5547 10.5565 11.1990 11.2017 11.6632 11.7265 12.8273 12.9155 14.3099 14.3159 17.6525 17.8517 17.9815 18.1847 19.9219 20.0991 20.5715 20.8118 22.8296 22.8823 k = 0.0905 0.1567 0.4019 ( 1378 PWs) bands (ev): -69.4001 -69.4001 -37.7890 -37.7885 -25.6418 -25.6414 -25.5914 -25.5890 -3.7045 -3.7043 2.0447 2.0605 10.4353 10.4385 10.6153 10.6166 11.2082 11.2125 11.6963 11.7569 12.7810 12.8636 14.2753 14.2803 17.6177 17.8050 17.9419 18.1327 20.0058 20.1721 20.6208 20.8448 22.7209 22.7691 k = 0.0857 0.1485 0.4019 ( 1378 PWs) bands (ev): -69.4005 -69.4005 -37.7878 -37.7874 -25.6393 -25.6389 -25.5879 -25.5856 -3.7111 -3.7110 2.0097 2.0232 10.4832 10.4864 10.6740 10.6742 11.2169 11.2225 11.7296 11.7872 12.7377 12.8146 14.2417 14.2459 17.5842 17.7568 17.9063 18.0818 20.0877 20.2427 20.6686 20.8760 22.6138 22.6577 k = 0.0810 0.1402 0.4019 ( 1378 PWs) bands (ev): -69.4008 -69.4008 -37.7867 -37.7863 -25.6372 -25.6367 -25.5842 -25.5822 -3.7175 -3.7174 1.9759 1.9873 10.5313 10.5341 10.7291 10.7304 11.2250 11.2319 11.7627 11.8169 12.6975 12.7684 14.2094 14.2128 17.5520 17.7082 17.8738 18.0325 20.1674 20.3108 20.7147 20.9056 22.5088 22.5487 k = 0.0762 0.1320 0.4019 ( 1374 PWs) bands (ev): -69.4011 -69.4011 -37.7855 -37.7852 -25.6353 -25.6348 -25.5804 -25.5786 -3.7236 -3.7235 1.9435 1.9530 10.5793 10.5816 10.7810 10.7840 11.2325 11.2406 11.7952 11.8458 12.6605 12.7255 14.1784 14.1812 17.5212 17.6601 17.8439 17.9849 20.2447 20.3762 20.7591 20.9335 22.4063 22.4425 k = 0.0714 0.1237 0.4019 ( 1374 PWs) bands (ev): -69.4014 -69.4014 -37.7845 -37.7842 -25.6337 -25.6332 -25.5766 -25.5751 -3.7294 -3.7293 1.9125 1.9203 10.6271 10.6287 10.8299 10.8347 11.2395 11.2485 11.8268 11.8734 12.6271 12.6858 14.1487 14.1509 17.4918 17.6132 17.8160 17.9393 20.3192 20.4388 20.8018 20.9597 22.3068 22.3394 k = 0.0667 0.1155 0.4019 ( 1374 PWs) bands (ev): -69.4016 -69.4016 -37.7835 -37.7833 -25.6323 -25.6319 -25.5728 -25.5715 -3.7349 -3.7348 1.8830 1.8894 10.6745 10.6753 10.8754 10.8821 11.2459 11.2557 11.8570 11.8993 12.5973 12.6497 14.1205 14.1222 17.4639 17.5682 17.7900 17.8958 20.3910 20.4985 20.8427 20.9842 22.2106 22.2399 k = 0.0619 0.1072 0.4019 ( 1382 PWs) bands (ev): -69.4019 -69.4019 -37.7825 -37.7824 -25.6312 -25.6309 -25.5691 -25.5681 -3.7400 -3.7400 1.8552 1.8603 10.7211 10.7212 10.9176 10.9259 11.2516 11.2621 11.8854 11.9230 12.5713 12.6172 14.0937 14.0951 17.4373 17.5252 17.7654 17.8545 20.4596 20.5551 20.8816 21.0071 22.1182 22.1442 k = 0.0571 0.0990 0.4019 ( 1384 PWs) bands (ev): -69.4022 -69.4022 -37.7817 -37.7815 -25.6302 -25.6299 -25.5656 -25.5647 -3.7448 -3.7448 1.8291 1.8331 10.7661 10.7671 10.9563 10.9661 11.2567 11.2676 11.9117 11.9444 12.5492 12.5887 14.0685 14.0696 17.4123 17.4848 17.7425 17.8159 20.5251 20.6086 20.9186 21.0283 22.0298 22.0528 k = 0.0524 0.0907 0.4019 ( 1384 PWs) bands (ev): -69.4024 -69.4024 -37.7808 -37.7807 -25.6293 -25.6291 -25.5622 -25.5615 -3.7493 -3.7493 1.8047 1.8078 10.8100 10.8118 10.9915 11.0025 11.2611 11.2721 11.9354 11.9631 12.5312 12.5642 14.0450 14.0458 17.3890 17.4474 17.7210 17.7801 20.5872 20.6589 20.9535 21.0480 21.9458 21.9660 k = 0.0476 0.0825 0.4019 ( 1380 PWs) bands (ev): -69.4026 -69.4026 -37.7801 -37.7800 -25.6286 -25.6285 -25.5589 -25.5585 -3.7534 -3.7534 1.7822 1.7846 10.8527 10.8552 11.0232 11.0351 11.2647 11.2755 11.9562 11.9789 12.5171 12.5438 14.0232 14.0238 17.3672 17.4129 17.7009 17.7472 20.6457 20.7060 20.9863 21.0661 21.8665 21.8839 k = 0.0429 0.0742 0.4019 ( 1384 PWs) bands (ev): -69.4028 -69.4028 -37.7794 -37.7793 -25.6280 -25.6279 -25.5560 -25.5556 -3.7572 -3.7572 1.7617 1.7634 10.8938 10.8968 11.0515 11.0638 11.2673 11.2777 11.9739 11.9917 12.5066 12.5274 14.0032 14.0036 17.3471 17.3817 17.6823 17.7173 20.7004 20.7499 21.0170 21.0828 21.7920 21.8069 k = 0.0381 0.0660 0.4019 ( 1388 PWs) bands (ev): -69.4029 -69.4029 -37.7788 -37.7787 -25.6275 -25.6275 -25.5533 -25.5531 -3.7605 -3.7605 1.7431 1.7443 10.9330 10.9365 11.0765 11.0888 11.2689 11.2784 11.9884 12.0017 12.4995 12.5149 13.9850 13.9853 17.3285 17.3537 17.6651 17.6906 20.7513 20.7904 21.0455 21.0981 21.7228 21.7351 k = 0.0333 0.0577 0.4019 ( 1384 PWs) bands (ev): -69.4031 -69.4031 -37.7782 -37.7782 -25.6271 -25.6270 -25.5509 -25.5507 -3.7635 -3.7635 1.7265 1.7273 10.9702 10.9739 11.0986 11.1102 11.2691 11.2775 11.9999 12.0092 12.4952 12.5060 13.9689 13.9690 17.3118 17.3292 17.6496 17.6672 20.7979 20.8276 21.0718 21.1121 21.6589 21.6689 k = 0.0286 0.0495 0.4019 ( 1384 PWs) bands (ev): -69.4032 -69.4032 -37.7777 -37.7777 -25.6267 -25.6267 -25.5487 -25.5486 -3.7661 -3.7661 1.7121 1.7126 11.0048 11.0085 11.1181 11.1284 11.2678 11.2749 12.0085 12.0145 12.4931 12.5001 13.9546 13.9547 17.2969 17.3081 17.6357 17.6471 20.8401 20.8612 21.0958 21.1252 21.6007 21.6084 k = 0.0238 0.0412 0.4019 ( 1384 PWs) bands (ev): -69.4033 -69.4033 -37.7773 -37.7773 -25.6264 -25.6264 -25.5469 -25.5469 -3.7684 -3.7684 1.6998 1.7001 11.0364 11.0398 11.1352 11.1439 11.2648 11.2704 12.0146 12.0182 12.4926 12.4968 13.9425 13.9426 17.2838 17.2905 17.6235 17.6302 20.8773 20.8912 21.1177 21.1374 21.5485 21.5541 k = 0.0190 0.0330 0.4019 ( 1384 PWs) bands (ev): -69.4034 -69.4034 -37.7770 -37.7770 -25.6262 -25.6262 -25.5454 -25.5454 -3.7702 -3.7702 1.6896 1.6898 11.0643 11.0669 11.1507 11.1572 11.2600 11.2639 12.0187 12.0205 12.4931 12.4952 13.9324 13.9325 17.2728 17.2763 17.6132 17.6167 20.9091 20.9171 21.1372 21.1490 21.5028 21.5064 k = 0.0143 0.0247 0.4019 ( 1388 PWs) bands (ev): -69.4035 -69.4035 -37.7767 -37.7767 -25.6261 -25.6261 -25.5443 -25.5443 -3.7716 -3.7716 1.6817 1.6818 11.0874 11.0890 11.1651 11.1691 11.2533 11.2557 12.0212 12.0220 12.4940 12.4949 13.9246 13.9246 17.2639 17.2654 17.6049 17.6064 20.9346 20.9384 21.1540 21.1598 21.4644 21.4663 k = 0.0095 0.0165 0.4019 ( 1388 PWs) bands (ev): -69.4036 -69.4036 -37.7765 -37.7765 -25.6260 -25.6260 -25.5434 -25.5434 -3.7726 -3.7726 1.6760 1.6760 11.1047 11.1053 11.1787 11.1804 11.2451 11.2462 12.0226 12.0228 12.4949 12.4952 13.9189 13.9189 17.2574 17.2578 17.5988 17.5993 20.9533 20.9546 21.1676 21.1695 21.4345 21.4352 k = 0.0048 0.0082 0.4019 ( 1400 PWs) bands (ev): -69.4036 -69.4036 -37.7765 -37.7765 -25.6259 -25.6259 -25.5430 -25.5430 -3.7732 -3.7732 1.6726 1.6726 11.1150 11.1151 11.1903 11.1906 11.2368 11.2370 12.0232 12.0232 12.4954 12.4955 13.9154 13.9154 17.2532 17.2533 17.5949 17.5950 20.9645 20.9647 21.1765 21.1767 21.4150 21.4151 k = 0.0000 0.0000 0.4019 ( 1408 PWs) bands (ev): -69.4037 -69.4037 -37.7764 -37.7764 -25.6259 -25.6259 -25.5429 -25.5429 -3.7734 -3.7734 1.6715 1.6715 11.1184 11.1184 11.1955 11.1955 11.2325 11.2325 12.0233 12.0233 12.4956 12.4956 13.9143 13.9143 17.2518 17.2518 17.5936 17.5936 20.9682 20.9682 21.1795 21.1795 21.4082 21.4082 k = 0.5000 0.2887 0.4019 ( 1380 PWs) bands (ev): -69.3882 -69.3882 -37.8320 -37.8320 -25.8312 -25.8312 -25.6131 -25.6131 -3.4431 -3.4431 3.3086 3.3086 8.4264 8.4264 9.8230 9.8230 10.4382 10.4382 11.6380 11.6380 14.7513 14.7513 15.5426 15.5426 17.9687 17.9687 18.6855 18.6855 19.2688 19.2688 19.6552 19.6552 23.9438 23.9438 k = 0.5000 0.2887 0.3924 ( 1382 PWs) bands (ev): -69.3882 -69.3882 -37.8320 -37.8320 -25.8313 -25.8312 -25.6131 -25.6131 -3.4442 -3.4421 3.3089 3.3109 8.4205 8.4314 9.8236 9.8247 10.4073 10.4473 11.6178 11.6783 14.7479 14.7515 15.5380 15.5408 17.9456 17.9879 18.6288 18.7332 19.2446 19.3071 19.6572 19.6606 23.9416 23.9527 k = 0.5000 0.2887 0.3828 ( 1382 PWs) bands (ev): -69.3882 -69.3882 -37.8320 -37.8320 -25.8313 -25.8312 -25.6131 -25.6130 -3.4455 -3.4413 3.3117 3.3158 8.4138 8.4354 9.8263 9.8286 10.3579 10.4330 11.6190 11.7352 14.7414 14.7485 15.5272 15.5326 17.9193 18.0023 18.5693 18.7647 19.2419 19.3532 19.6660 19.6749 23.9462 23.9684 k = 0.5000 0.2887 0.3732 ( 1382 PWs) bands (ev): -69.3882 -69.3882 -37.8320 -37.8320 -25.8313 -25.8312 -25.6130 -25.6130 -3.4470 -3.4407 3.3172 3.3232 8.4062 8.4385 9.8313 9.8346 10.2936 10.3963 11.6410 11.8050 14.7319 14.7423 15.5102 15.5181 17.8906 18.0108 18.5113 18.7750 19.2652 19.4014 19.6812 19.7000 23.9575 23.9906 k = 0.5000 0.2887 0.3637 ( 1382 PWs) bands (ev): -69.3882 -69.3882 -37.8320 -37.8320 -25.8313 -25.8312 -25.6129 -25.6129 -3.4487 -3.4404 3.3252 3.3332 8.3979 8.4405 9.8385 9.8426 10.2180 10.3404 11.6806 11.8842 14.7194 14.7331 15.4873 15.4971 17.8600 18.0125 18.4581 18.7658 19.3117 19.4477 19.7031 19.7379 23.9756 24.0194 k = 0.5000 0.2887 0.3541 ( 1382 PWs) bands (ev): -69.3882 -69.3882 -37.8320 -37.8319 -25.8314 -25.8312 -25.6128 -25.6128 -3.4505 -3.4402 3.3357 3.3458 8.3888 8.4416 9.8479 9.8525 10.1339 10.2691 11.7341 11.9700 14.7041 14.7208 15.4587 15.4698 17.8283 18.0065 18.4117 18.7430 19.3738 19.4892 19.7325 19.7896 24.0005 24.0548 k = 0.5000 0.2887 0.3445 ( 1386 PWs) bands (ev): -69.3882 -69.3882 -37.8319 -37.8319 -25.8314 -25.8312 -25.6127 -25.6126 -3.4524 -3.4402 3.3488 3.3608 8.3790 8.4417 9.8593 9.8636 10.0434 10.1867 11.7979 12.0602 14.6862 14.7056 15.4246 15.4362 17.7958 17.9923 18.3734 18.7125 19.4433 19.5258 19.7707 19.8545 24.0322 24.0966 k = 0.5000 0.2887 0.3350 ( 1384 PWs) bands (ev): -69.3882 -69.3882 -37.8319 -37.8319 -25.8314 -25.8312 -25.6125 -25.6124 -3.4545 -3.4404 3.3645 3.3784 8.3686 8.4407 9.8721 9.8746 9.9488 10.0977 11.8690 12.1533 14.6660 14.6877 15.3854 15.3966 17.7631 17.9706 18.3431 18.6782 19.5136 19.5586 19.8200 19.9304 24.0707 24.1447 k = 0.5000 0.2887 0.3254 ( 1384 PWs) bands (ev): -69.3882 -69.3882 -37.8319 -37.8319 -25.8315 -25.8312 -25.6123 -25.6122 -3.4567 -3.4408 3.3827 3.3984 8.3575 8.4387 9.8435 9.8788 9.8940 10.0109 11.9451 12.2481 14.6437 14.6671 15.3415 15.3511 17.7305 17.9428 18.3199 18.6424 19.5794 19.5893 19.8823 20.0147 24.1158 24.1992 k = 0.5000 0.2887 0.3158 ( 1380 PWs) bands (ev): -69.3882 -69.3882 -37.8319 -37.8318 -25.8315 -25.8312 -25.6120 -25.6120 -3.4590 -3.4415 3.4035 3.4209 8.3460 8.4357 9.7432 9.8435 9.9100 9.9609 12.0244 12.3437 14.6194 14.6440 15.2933 15.3001 17.6983 17.9112 18.3019 18.6064 19.6191 19.6384 19.9580 20.1055 24.1674 24.2598 k = 0.5000 0.2887 0.3062 ( 1382 PWs) bands (ev): -69.3882 -69.3882 -37.8318 -37.8318 -25.8315 -25.8312 -25.6118 -25.6118 -3.4614 -3.4423 3.4267 3.4458 8.3340 8.4317 9.6385 9.7540 9.9302 9.9633 12.1057 12.4395 14.5935 14.6184 15.2414 15.2437 17.6669 17.8776 18.2873 18.5708 19.6489 19.6906 20.0456 20.2011 24.2255 24.3265 k = 0.5000 0.2887 0.2967 ( 1382 PWs) bands (ev): -69.3882 -69.3882 -37.8318 -37.8318 -25.8316 -25.8312 -25.6115 -25.6115 -3.4638 -3.4433 3.4524 3.4732 8.3216 8.4267 9.5317 9.6477 9.9528 9.9818 12.1881 12.5349 14.5661 14.5904 15.1824 15.1864 17.6364 17.8437 18.2746 18.5359 19.6792 19.7377 20.1422 20.3004 24.2897 24.3991 k = 0.5000 0.2887 0.2871 ( 1386 PWs) bands (ev): -69.3883 -69.3883 -37.8318 -37.8317 -25.8316 -25.8312 -25.6113 -25.6112 -3.4664 -3.4445 3.4805 3.5029 8.3088 8.4207 9.4233 9.5359 9.9776 10.0058 12.2708 12.6296 14.5375 14.5599 15.1165 15.1288 17.6069 17.8104 18.2628 18.5021 19.7103 19.7816 20.2452 20.4026 24.3598 24.4774 k = 0.5000 0.2887 0.2775 ( 1388 PWs) bands (ev): -69.3883 -69.3883 -37.8317 -37.8317 -25.8316 -25.8313 -25.6110 -25.6109 -3.4690 -3.4458 3.5111 3.5349 8.2958 8.4138 9.3137 9.4214 10.0046 10.0331 12.3532 12.7230 14.5077 14.5269 15.0467 15.0695 17.5786 17.7786 18.2513 18.4693 19.7422 19.8236 20.3527 20.5070 24.4356 24.5611 k = 0.5000 0.2887 0.2680 ( 1390 PWs) bands (ev): -69.3883 -69.3883 -37.8317 -37.8316 -25.8317 -25.8313 -25.6107 -25.6106 -3.4716 -3.4474 3.5440 3.5693 8.2825 8.4059 9.2032 9.3051 10.0336 10.0630 12.4348 12.8151 14.4771 14.4913 14.9733 15.0094 17.5516 17.7487 18.2396 18.4377 19.7750 19.8645 20.4631 20.6130 24.5166 24.6501 k = 0.5000 0.2887 0.2584 ( 1390 PWs) bands (ev): -69.3883 -69.3883 -37.8316 -37.8316 -25.8317 -25.8313 -25.6104 -25.6103 -3.4742 -3.4490 3.5792 3.6058 8.2691 8.3971 9.0920 9.1879 10.0647 10.0952 12.5152 12.9054 14.4455 14.4528 14.8969 14.9493 17.5259 17.7207 18.2276 18.4072 19.8087 19.9049 20.5753 20.7201 24.6022 24.7439 k = 0.5000 0.2887 0.2488 ( 1390 PWs) bands (ev): -69.3883 -69.3883 -37.8316 -37.8316 -25.8318 -25.8313 -25.6100 -25.6099 -3.4769 -3.4509 3.6168 3.6446 8.2555 8.3875 8.9805 9.0699 10.0978 10.1296 12.5940 12.9938 14.4112 14.4130 14.8184 14.8903 17.5015 17.6948 18.2150 18.3779 19.8432 19.9449 20.6886 20.8278 24.6918 24.8423 k = 0.5000 0.2887 0.2393 ( 1390 PWs) bands (ev): -69.3883 -69.3883 -37.8315 -37.8315 -25.8318 -25.8314 -25.6097 -25.6096 -3.4795 -3.4529 3.6565 3.6855 8.2419 8.3772 8.8687 8.9517 10.1328 10.1661 12.6708 13.0801 14.3660 14.3792 14.7386 14.8332 17.4784 17.6709 18.2018 18.3496 19.8786 19.9848 20.8023 20.9358 24.7844 24.9448 k = 0.5000 0.2887 0.2297 ( 1378 PWs) bands (ev): -69.3883 -69.3883 -37.8315 -37.8314 -25.8318 -25.8314 -25.6092 -25.6092 -3.4821 -3.4550 3.6985 3.7284 8.2282 8.3660 8.7571 8.8336 10.1698 10.2046 12.7453 13.1641 14.3173 14.3437 14.6586 14.7791 17.4568 17.6490 18.1883 18.3225 19.9149 20.0248 20.9161 21.0438 24.8783 25.0506 k = 0.5000 0.2887 0.2201 ( 1382 PWs) bands (ev): -69.3883 -69.3883 -37.8314 -37.8314 -25.8319 -25.8314 -25.6089 -25.6088 -3.4847 -3.4572 3.7425 3.7734 8.2145 8.3540 8.6457 8.7158 10.2085 10.2448 12.8170 13.2456 14.2648 14.3051 14.5800 14.7285 17.4363 17.6286 18.1741 18.2963 19.9518 20.0646 21.0293 21.1511 24.9709 25.1580 k = 0.5000 0.2887 0.2105 ( 1382 PWs) bands (ev): -69.3883 -69.3883 -37.8314 -37.8313 -25.8319 -25.8315 -25.6085 -25.6084 -3.4873 -3.4595 3.7885 3.8202 8.2006 8.3412 8.5351 8.5987 10.2490 10.2869 12.8855 13.3245 14.2089 14.2619 14.5052 14.6820 17.4173 17.6099 18.1596 18.2712 19.9894 20.1044 21.1416 21.2576 25.0570 25.2530 k = 0.5000 0.2887 0.2010 ( 1378 PWs) bands (ev): -69.3883 -69.3883 -37.8313 -37.8313 -25.8319 -25.8315 -25.6081 -25.6080 -3.4898 -3.4620 3.8365 3.8688 8.1860 8.3268 8.4258 8.4833 10.2912 10.3307 12.9502 13.4006 14.1504 14.2114 14.4374 14.6398 17.3996 17.5926 18.1448 18.2472 20.0276 20.1441 21.2526 21.3629 25.1261 25.2338 k = 0.5000 0.2887 0.1914 ( 1378 PWs) bands (ev): -69.3883 -69.3883 -37.8313 -37.8312 -25.8320 -25.8315 -25.6077 -25.6076 -3.4922 -3.4645 3.8863 3.9191 8.1693 8.3062 8.3197 8.3745 10.3349 10.3760 13.0104 13.4738 14.0902 14.1513 14.3792 14.6018 17.3833 17.5765 18.1298 18.2242 20.0664 20.1836 21.3620 21.4666 25.1606 25.1636 k = 0.5000 0.2887 0.1818 ( 1382 PWs) bands (ev): -69.3883 -69.3883 -37.8312 -37.8312 -25.8320 -25.8316 -25.6074 -25.6073 -3.4945 -3.4671 3.9378 3.9709 8.1414 8.2262 8.2373 8.3148 10.3802 10.4228 13.0652 13.5440 14.0296 14.0813 14.3314 14.5678 17.3683 17.5614 18.1148 18.2021 20.1056 20.2229 21.4694 21.5684 25.0884 25.1500 k = 0.5000 0.2887 0.1723 ( 1378 PWs) bands (ev): -69.3883 -69.3883 -37.8312 -37.8311 -25.8321 -25.8316 -25.6070 -25.6069 -3.4967 -3.4697 3.9908 4.0242 8.0717 8.1292 8.1759 8.2953 10.4268 10.4709 13.1134 13.6109 13.9705 14.0036 14.2924 14.5376 17.3547 17.5473 18.0999 18.1810 20.1454 20.2620 21.5744 21.6680 25.0115 25.1052 k = 0.5000 0.2887 0.1627 ( 1378 PWs) bands (ev): -69.3883 -69.3883 -37.8311 -37.8311 -25.8321 -25.8317 -25.6066 -25.6065 -3.4988 -3.4723 4.0452 4.0788 7.9736 8.0184 8.1559 8.2800 10.4746 10.5202 13.1534 13.6744 13.9151 13.9209 14.2597 14.5106 17.3425 17.5338 18.0852 18.1609 20.1855 20.3007 21.6767 21.7649 24.9342 25.0423 k = 0.5000 0.2887 0.1531 ( 1376 PWs) bands (ev): -69.3883 -69.3883 -37.8311 -37.8310 -25.8321 -25.8317 -25.6062 -25.6062 -3.5008 -3.4750 4.1009 4.1344 7.8710 7.9085 8.1426 8.2654 10.5236 10.5705 13.1830 13.7336 13.8362 13.8660 14.2318 14.4867 17.3317 17.5210 18.0709 18.1418 20.2258 20.3389 21.7760 21.8588 24.8570 24.9705 k = 0.5000 0.2887 0.1436 ( 1380 PWs) bands (ev): -69.3884 -69.3884 -37.8310 -37.8310 -25.8322 -25.8318 -25.6059 -25.6058 -3.5026 -3.4777 4.1576 4.1908 7.7686 7.8005 8.1316 8.2510 10.5735 10.6215 13.2000 13.7429 13.7963 13.8261 14.2075 14.4655 17.3222 17.5085 18.0569 18.1235 20.2662 20.3764 21.8719 21.9495 24.7807 24.8946 k = 0.5000 0.2887 0.1340 ( 1372 PWs) bands (ev): -69.3883 -69.3883 -37.8310 -37.8309 -25.8322 -25.8318 -25.6055 -25.6054 -3.5043 -3.4804 4.2150 4.2478 7.6676 7.6946 8.1220 8.2370 10.6241 10.6732 13.2024 13.6584 13.7980 13.8462 14.1863 14.4468 17.3143 17.4965 18.0437 18.1063 20.3066 20.4132 21.9641 22.0364 24.7058 24.8174 k = 0.5000 0.2887 0.1244 ( 1376 PWs) bands (ev): -69.3884 -69.3884 -37.8309 -37.8309 -25.8322 -25.8318 -25.6052 -25.6052 -3.5058 -3.4830 4.2729 4.3051 7.5688 7.5915 8.1134 8.2231 10.6752 10.7251 13.1895 13.5718 13.7825 13.8944 14.1680 14.4303 17.3076 17.4846 18.0311 18.0900 20.3465 20.4489 22.0522 22.1193 24.6328 24.7402 k = 0.5000 0.2887 0.1148 ( 1388 PWs) bands (ev): -69.3884 -69.3884 -37.8309 -37.8309 -25.8323 -25.8319 -25.6050 -25.6049 -3.5072 -3.4856 4.3310 4.3624 7.4727 7.4914 8.1058 8.2095 10.7264 10.7768 13.1629 13.4860 13.7789 13.9378 14.1530 14.4158 17.3023 17.4728 18.0193 18.0745 20.3858 20.4833 22.1357 22.1976 24.5623 24.6642 k = 0.5000 0.2887 0.1053 ( 1392 PWs) bands (ev): -69.3884 -69.3884 -37.8309 -37.8309 -25.8323 -25.8320 -25.6047 -25.6046 -3.5084 -3.4882 4.3887 4.4191 7.3798 7.3949 8.0991 8.1963 10.7776 10.8282 13.1258 13.4020 13.7846 13.9749 14.1426 14.4031 17.2985 17.4612 18.0084 18.0601 20.4244 20.5163 22.2144 22.2712 24.4950 24.5906 k = 0.5000 0.2887 0.0957 ( 1392 PWs) bands (ev): -69.3884 -69.3884 -37.8309 -37.8308 -25.8323 -25.8320 -25.6044 -25.6044 -3.5094 -3.4906 4.4458 4.4749 7.2906 7.3025 8.0935 8.1835 10.8284 10.8787 13.0818 13.3203 13.7966 14.0032 14.1391 14.3921 17.2961 17.4496 17.9986 18.0466 20.4619 20.5476 22.2880 22.3397 24.4314 24.5199 k = 0.5000 0.2887 0.0861 ( 1392 PWs) bands (ev): -69.3884 -69.3884 -37.8308 -37.8308 -25.8324 -25.8321 -25.6042 -25.6041 -3.5102 -3.4930 4.5016 4.5292 7.2058 7.2149 8.0888 8.1711 10.8783 10.9277 13.0343 13.2415 13.8122 14.0198 14.1451 14.3825 17.2951 17.4380 17.9899 18.0340 20.4979 20.5768 22.3561 22.4026 24.3721 24.4529 k = 0.5000 0.2887 0.0766 ( 1394 PWs) bands (ev): -69.3884 -69.3884 -37.8308 -37.8308 -25.8324 -25.8321 -25.6039 -25.6039 -3.5108 -3.4953 4.5554 4.5812 7.1261 7.1327 8.0851 8.1594 10.9267 10.9745 12.9861 13.1664 13.8297 14.0247 14.1605 14.3739 17.2953 17.4264 17.9824 18.0224 20.5321 20.6037 22.4183 22.4598 24.3176 24.3904 k = 0.5000 0.2887 0.0670 ( 1394 PWs) bands (ev): -69.3884 -69.3884 -37.8308 -37.8308 -25.8324 -25.8322 -25.6037 -25.6037 -3.5112 -3.4975 4.6066 4.6303 7.0522 7.0568 8.0823 8.1482 10.9731 11.0185 12.9394 13.0955 13.8476 14.0219 14.1813 14.3662 17.2970 17.4148 17.9760 18.0118 20.5641 20.6279 22.4744 22.5107 24.2684 24.3329 k = 0.5000 0.2887 0.0574 ( 1394 PWs) bands (ev): -69.3884 -69.3884 -37.8308 -37.8307 -25.8324 -25.8322 -25.6036 -25.6035 -3.5115 -3.4996 4.6543 4.6755 6.9851 6.9879 8.0807 8.1377 11.0167 11.0588 12.8962 13.0297 13.8653 14.0150 14.2038 14.3590 17.2999 17.4033 17.9709 18.0022 20.5934 20.6490 22.5240 22.5552 24.2252 24.2810 k = 0.5000 0.2887 0.0479 ( 1390 PWs) bands (ev): -69.3884 -69.3884 -37.8307 -37.8307 -25.8324 -25.8322 -25.6034 -25.6034 -3.5115 -3.5015 4.6975 4.7159 6.9257 6.9272 8.0800 8.1280 11.0567 11.0945 12.8582 12.9698 13.8823 14.0062 14.2257 14.3521 17.3040 17.3920 17.9671 17.9936 20.6199 20.6668 22.5669 22.5929 24.1885 24.2353 k = 0.5000 0.2887 0.0383 ( 1390 PWs) bands (ev): -69.3884 -69.3884 -37.8307 -37.8307 -25.8324 -25.8322 -25.6033 -25.6032 -3.5114 -3.5033 4.7353 4.7505 6.8749 6.8756 8.0804 8.1190 11.0923 11.1245 12.8268 12.9168 13.8983 13.9965 14.2462 14.3449 17.3092 17.3808 17.9644 17.9859 20.6431 20.6810 22.6028 22.6236 24.1586 24.1963 k = 0.5000 0.2887 0.0287 ( 1390 PWs) bands (ev): -69.3884 -69.3884 -37.8307 -37.8307 -25.8324 -25.8323 -25.6032 -25.6031 -3.5110 -3.5049 4.7665 4.7783 6.8340 6.8341 8.0817 8.1109 11.1225 11.1479 12.8035 12.8715 13.9132 13.9862 14.2647 14.3373 17.3155 17.3699 17.9630 17.9793 20.6625 20.6912 22.6315 22.6472 24.1360 24.1644 k = 0.5000 0.2887 0.0191 ( 1382 PWs) bands (ev): -69.3884 -69.3884 -37.8307 -37.8307 -25.8323 -25.8323 -25.6031 -25.6030 -3.5105 -3.5064 4.7903 4.7984 6.8038 6.8039 8.0842 8.1037 11.1463 11.1639 12.7894 12.8351 13.9273 13.9755 14.2812 14.3289 17.3227 17.3593 17.9629 17.9738 20.6781 20.6974 22.6529 22.6634 24.1210 24.1400 k = 0.5000 0.2887 0.0096 ( 1382 PWs) bands (ev): -69.3884 -69.3884 -37.8307 -37.8307 -25.8323 -25.8323 -25.6030 -25.6030 -3.5097 -3.5077 4.8058 4.8099 6.7853 6.7854 8.0876 8.0974 11.1629 11.1719 12.7851 12.8081 13.9404 13.9643 14.2958 14.3194 17.3308 17.3492 17.9639 17.9694 20.6895 20.6992 22.6668 22.6721 24.1138 24.1233 k = 0.5000 0.2887-0.0000 ( 1382 PWs) bands (ev): -69.3884 -69.3884 -37.8307 -37.8307 -25.8323 -25.8323 -25.6030 -25.6030 -3.5088 -3.5088 4.8124 4.8124 6.7791 6.7791 8.0920 8.0920 11.1715 11.1715 12.7914 12.7914 13.9527 13.9527 14.3084 14.3084 17.3397 17.3397 17.9661 17.9661 20.6965 20.6965 22.6732 22.6732 24.1145 24.1145 k = 0.3333 0.5774-0.0000 ( 1371 PWs) bands (ev): -69.3865 -69.3865 -37.8414 -37.8334 -25.8468 -25.7988 -25.6575 -25.6415 -3.4346 -3.3488 4.8041 4.8498 7.2638 7.4745 8.5479 8.5533 9.3428 9.6635 11.2166 11.4278 14.2386 14.8887 16.1291 16.2252 16.6122 16.6337 18.8145 19.1036 19.5103 19.7046 23.2050 23.5283 25.5031 25.5101 k = 0.3333 0.5774 0.0096 ( 1383 PWs) bands (ev): -69.3865 -69.3865 -37.8414 -37.8334 -25.8468 -25.7988 -25.6576 -25.6415 -3.4345 -3.3489 4.8005 4.8471 7.2685 7.4786 8.5495 8.5549 9.3393 9.6588 11.2211 11.4336 14.2394 14.8895 16.1296 16.2257 16.6080 16.6295 18.8113 19.1020 19.5124 19.7054 23.1973 23.5214 25.5072 25.5140 k = 0.3333 0.5774 0.0191 ( 1383 PWs) bands (ev): -69.3865 -69.3865 -37.8414 -37.8334 -25.8468 -25.7988 -25.6577 -25.6416 -3.4343 -3.3490 4.7899 4.8389 7.2828 7.4909 8.5544 8.5598 9.3288 9.6448 11.2346 11.4508 14.2421 14.8922 16.1312 16.2272 16.5955 16.6170 18.8023 19.0976 19.5190 19.7078 23.1747 23.5012 25.5195 25.5258 k = 0.3333 0.5774 0.0287 ( 1383 PWs) bands (ev): -69.3865 -69.3865 -37.8415 -37.8335 -25.8468 -25.7988 -25.6578 -25.6417 -3.4341 -3.3493 4.7725 4.8255 7.3062 7.5113 8.5626 8.5678 9.3116 9.6220 11.2567 11.4790 14.2466 14.8965 16.1339 16.2297 16.5748 16.5965 18.7875 19.0903 19.5297 19.7116 23.1377 23.4680 25.5399 25.5453 k = 0.3333 0.5774 0.0383 ( 1374 PWs) bands (ev): -69.3865 -69.3865 -37.8414 -37.8334 -25.8467 -25.7987 -25.6578 -25.6417 -3.4336 -3.3497 4.7489 4.8072 7.3385 7.5393 8.5741 8.5791 9.2884 9.5916 11.2870 11.5170 14.2530 14.9026 16.1375 16.2331 16.5461 16.5682 18.7677 19.0806 19.5440 19.7168 23.0874 23.4226 25.5681 25.5725 k = 0.3333 0.5774 0.0479 ( 1374 PWs) bands (ev): -69.3865 -69.3865 -37.8415 -37.8335 -25.8467 -25.7987 -25.6580 -25.6419 -3.4331 -3.3501 4.7194 4.7842 7.3788 7.5746 8.5888 8.5935 9.2597 9.5543 11.3246 11.5639 14.2613 14.9105 16.1419 16.2368 16.5098 16.5327 18.7433 19.0682 19.5612 19.7231 23.0247 23.3656 25.6039 25.6071 k = 0.3333 0.5774 0.0574 ( 1374 PWs) bands (ev): -69.3865 -69.3865 -37.8415 -37.8335 -25.8466 -25.7987 -25.6581 -25.6421 -3.4325 -3.3507 4.6848 4.7572 7.4266 7.6167 8.6067 8.6110 9.2263 9.5113 11.3688 11.6183 14.2716 14.9203 16.1467 16.2405 16.4666 16.4907 18.7150 19.0535 19.5807 19.7304 22.9508 23.2981 25.6470 25.6488 k = 0.3333 0.5774 0.0670 ( 1380 PWs) bands (ev): -69.3865 -69.3865 -37.8415 -37.8335 -25.8466 -25.7986 -25.6584 -25.6423 -3.4318 -3.3514 4.6458 4.7265 7.4811 7.6650 8.6278 8.6317 9.1889 9.4638 11.4187 11.6790 14.2839 14.9318 16.1513 16.2427 16.4173 16.4440 18.6832 19.0368 19.6019 19.7383 22.8671 23.2211 25.6968 25.6974 k = 0.3333 0.5774 0.0766 ( 1374 PWs) bands (ev): -69.3865 -69.3865 -37.8415 -37.8335 -25.8465 -25.7986 -25.6586 -25.6425 -3.4310 -3.3521 4.6030 4.6927 7.5417 7.7190 8.6521 8.6554 9.1482 9.4126 11.4737 11.7451 14.2983 14.9452 16.1542 16.2399 16.3640 16.3966 18.6485 19.0183 19.6247 19.7468 22.7749 23.1356 25.7524 25.7531 k = 0.3333 0.5774 0.0861 ( 1374 PWs) bands (ev): -69.3864 -69.3864 -37.8416 -37.8336 -25.8464 -25.7985 -25.6588 -25.6428 -3.4301 -3.3530 4.5571 4.6562 7.6075 7.7782 8.6795 8.6822 9.1050 9.3588 11.5329 11.8155 14.3151 14.9606 16.1509 16.2228 16.3111 16.3579 18.6115 18.9983 19.6483 19.7557 22.6753 23.0426 25.8133 25.8153 k = 0.3333 0.5774 0.0957 ( 1380 PWs) bands (ev): -69.3865 -69.3865 -37.8416 -37.8336 -25.8463 -25.7985 -25.6591 -25.6431 -3.4290 -3.3539 4.5087 4.6175 7.6779 7.8419 8.7100 8.7118 9.0599 9.3029 11.5957 11.8891 14.3342 14.9779 16.1308 16.1807 16.2699 16.3389 18.5722 18.9768 19.6724 19.7645 22.5692 22.9429 25.8797 25.8828 k = 0.3333 0.5774 0.1053 ( 1383 PWs) bands (ev): -69.3865 -69.3865 -37.8416 -37.8337 -25.8462 -25.7984 -25.6594 -25.6434 -3.4279 -3.3549 4.4584 4.5770 7.7523 7.9096 8.7434 8.7442 9.0134 9.2458 11.6613 11.9651 14.3559 14.9973 16.0827 16.1169 16.2519 16.3371 18.5313 18.9541 19.6968 19.7734 22.4578 22.8375 25.9508 25.9550 k = 0.3333 0.5774 0.1148 ( 1377 PWs) bands (ev): -69.3864 -69.3864 -37.8417 -37.8337 -25.8460 -25.7983 -25.6597 -25.6438 -3.4268 -3.3560 4.4067 4.5353 7.8300 7.9809 8.7790 8.7799 8.9665 9.1880 11.7292 12.0428 14.3804 15.0187 16.0126 16.0404 16.2517 16.3437 18.4889 18.9304 19.7214 19.7821 22.3419 22.7271 26.0262 26.0314 k = 0.3333 0.5774 0.1244 ( 1377 PWs) bands (ev): -69.3864 -69.3864 -37.8417 -37.8337 -25.8459 -25.7982 -25.6601 -25.6441 -3.4255 -3.3571 4.3540 4.4927 7.9105 8.0551 8.8149 8.8192 8.9208 9.1299 11.7988 12.1214 14.4077 15.0423 15.9303 15.9558 16.2596 16.3544 18.4452 18.9059 19.7458 19.7906 22.2219 22.6123 26.1052 26.1113 k = 0.3333 0.5774 0.1340 ( 1377 PWs) bands (ev): -69.3864 -69.3864 -37.8417 -37.8338 -25.8458 -25.7982 -25.6604 -25.6445 -3.4242 -3.3584 4.3008 4.4494 7.9932 8.1318 8.8394 8.8614 8.8890 9.0719 11.8696 12.2003 14.4382 15.0680 15.8406 15.8655 16.2714 16.3675 18.4005 18.8806 19.7699 19.7985 22.0988 22.4939 26.1872 26.1940 k = 0.3333 0.5774 0.1436 ( 1383 PWs) bands (ev): -69.3864 -69.3864 -37.8418 -37.8338 -25.8456 -25.7981 -25.6609 -25.6450 -3.4228 -3.3596 4.2474 4.4060 8.0775 8.2104 8.8110 8.9062 8.9129 9.0145 11.9410 12.2788 14.4719 15.0959 15.7454 15.7706 16.2854 16.3821 18.3549 18.8547 19.7935 19.8060 21.9730 22.3722 26.2715 26.2787 k = 0.3333 0.5774 0.1531 ( 1383 PWs) bands (ev): -69.3864 -69.3864 -37.8418 -37.8339 -25.8455 -25.7980 -25.6613 -25.6454 -3.4213 -3.3609 4.1942 4.3625 8.1633 8.2906 8.7658 8.9537 8.9565 8.9578 12.0128 12.3563 14.5091 15.1257 15.6459 15.6722 16.3010 16.3980 18.3086 18.8283 19.8129 19.8166 21.8451 22.2481 26.3575 26.3648 k = 0.3333 0.5774 0.1627 ( 1383 PWs) bands (ev): -69.3864 -69.3864 -37.8419 -37.8339 -25.8453 -25.7979 -25.6617 -25.6458 -3.4198 -3.3623 4.1415 4.3194 8.2498 8.3719 8.7193 8.9023 9.0038 9.0046 12.0844 12.4323 14.5499 15.1571 15.5429 15.5714 16.3178 16.4147 18.2618 18.8016 19.8191 19.8391 21.7156 22.1218 26.4444 26.4512 k = 0.3333 0.5774 0.1723 ( 1383 PWs) bands (ev): -69.3864 -69.3864 -37.8419 -37.8340 -25.8451 -25.7978 -25.6621 -25.6462 -3.4183 -3.3637 4.0894 4.2767 8.3369 8.4537 8.6730 8.8483 9.0556 9.0562 12.1554 12.5064 14.5946 15.1888 15.4370 15.4702 16.3355 16.4322 18.2145 18.7746 19.8246 19.8608 21.5848 21.9938 26.5315 26.5371 k = 0.3333 0.5774 0.1818 ( 1377 PWs) bands (ev): -69.3864 -69.3864 -37.8420 -37.8340 -25.8450 -25.7976 -25.6625 -25.6467 -3.4168 -3.3651 4.0383 4.2348 8.4240 8.5352 8.6276 8.7965 9.1090 9.1109 12.2256 12.5779 14.6432 15.2143 15.3288 15.3755 16.3541 16.4504 18.1671 18.7475 19.8294 19.8818 21.4532 21.8646 26.6183 26.6212 k = 0.3333 0.5774 0.1914 ( 1389 PWs) bands (ev): -69.3864 -69.3864 -37.8420 -37.8341 -25.8449 -25.7976 -25.6630 -25.6471 -3.4152 -3.3666 3.9882 4.1937 8.5108 8.5831 8.6135 8.7494 9.1647 9.1677 12.2944 12.6466 14.6957 15.1966 15.2186 15.3247 16.3731 16.4687 18.1193 18.7203 19.8333 19.9018 21.3212 21.7346 26.7015 26.7038 k = 0.3333 0.5774 0.2010 ( 1383 PWs) bands (ev): -69.3864 -69.3864 -37.8421 -37.8341 -25.8447 -25.7975 -25.6634 -25.6476 -3.4136 -3.3680 3.9395 4.1537 8.5399 8.5970 8.6624 8.7331 9.2223 9.2265 12.3618 12.7122 14.7525 15.1071 15.1107 15.3437 16.3925 16.4874 18.0718 18.6931 19.8366 19.9209 21.1891 21.6044 26.7755 26.7876 k = 0.3333 0.5774 0.2105 ( 1383 PWs) bands (ev): -69.3864 -69.3864 -37.8421 -37.8342 -25.8445 -25.7974 -25.6638 -25.6480 -3.4120 -3.3694 3.8923 4.1148 8.4981 8.6336 8.6822 8.7956 9.2818 9.2871 12.4273 12.7743 14.8132 14.9946 15.0055 15.3838 16.4123 16.5061 18.0244 18.6661 19.8392 19.9391 21.0573 21.4741 26.8377 26.8687 k = 0.3333 0.5774 0.2201 ( 1383 PWs) bands (ev): -69.3864 -69.3864 -37.8422 -37.8342 -25.8443 -25.7973 -25.6642 -25.6485 -3.4104 -3.3709 3.8466 4.0773 8.4578 8.5905 8.7660 8.8732 9.3428 9.3492 12.4907 12.8327 14.8778 14.8817 14.8960 15.4305 16.4323 16.5248 17.9772 18.6392 19.8410 19.9562 20.9260 21.3442 26.8776 26.9465 k = 0.3333 0.5774 0.2297 ( 1380 PWs) bands (ev): -69.3864 -69.3864 -37.8422 -37.8343 -25.8442 -25.7971 -25.6646 -25.6489 -3.4088 -3.3723 3.8027 4.0412 8.4191 8.5472 8.8481 8.9517 9.4052 9.4127 12.5517 12.8874 14.7688 14.7852 14.9461 15.4811 16.4524 16.5433 17.9306 18.6126 19.8422 19.9722 20.7958 21.2154 26.8795 27.0203 k = 0.3333 0.5774 0.2393 ( 1380 PWs) bands (ev): -69.3864 -69.3864 -37.8423 -37.8343 -25.8440 -25.7970 -25.6650 -25.6493 -3.4072 -3.3737 3.7606 4.0067 8.3821 8.5053 8.9282 9.0291 9.4686 9.4773 12.6102 12.9381 14.6563 14.6742 15.0178 15.5349 16.4725 16.5614 17.8845 18.5865 19.8427 19.9868 20.6669 21.0880 26.8379 27.0894 k = 0.3333 0.5774 0.2488 ( 1389 PWs) bands (ev): -69.3864 -69.3864 -37.8423 -37.8344 -25.8439 -25.7970 -25.6655 -25.6498 -3.4057 -3.3751 3.7204 3.9736 8.3469 8.4653 9.0059 9.1046 9.5329 9.5427 12.6658 12.9850 14.5448 14.5639 15.0925 15.5913 16.4923 16.5789 17.8391 18.5607 19.8426 20.0000 20.5397 20.9625 26.7686 27.0721 k = 0.3333 0.5774 0.2584 ( 1383 PWs) bands (ev): -69.3864 -69.3864 -37.8424 -37.8344 -25.8437 -25.7968 -25.6659 -25.6502 -3.4042 -3.3765 3.6824 3.9424 8.3136 8.4274 9.0811 9.1779 9.5976 9.6086 12.7186 13.0281 14.4348 14.4548 15.1698 15.6501 16.5119 16.5958 17.7947 18.5356 19.8420 20.0116 20.4148 20.8399 26.6883 26.9731 k = 0.3333 0.5774 0.2680 ( 1383 PWs) bands (ev): -69.3863 -69.3863 -37.8424 -37.8345 -25.8435 -25.7967 -25.6663 -25.6506 -3.4028 -3.3778 3.6464 3.9128 8.2821 8.3916 9.1532 9.2486 9.6625 9.6747 12.7684 13.0674 14.3267 14.3476 15.2490 15.7110 16.5311 16.6118 17.7514 18.5112 19.8410 20.0213 20.2925 20.7208 26.6055 26.8793 k = 0.3333 0.5774 0.2775 ( 1380 PWs) bands (ev): -69.3863 -69.3863 -37.8424 -37.8345 -25.8434 -25.7967 -25.6666 -25.6510 -3.4014 -3.3790 3.6126 3.8851 8.2526 8.3580 9.2220 9.3162 9.7271 9.7405 12.8151 13.1031 14.2212 14.2428 15.3297 15.7734 16.5499 16.6269 17.7092 18.4876 19.8395 20.0283 20.1733 20.6065 26.5243 26.7908 k = 0.3333 0.5774 0.2871 ( 1380 PWs) bands (ev): -69.3863 -69.3863 -37.8425 -37.8345 -25.8433 -25.7966 -25.6670 -25.6514 -3.4001 -3.3802 3.5811 3.8593 8.2251 8.3267 9.2872 9.3805 9.7909 9.8055 12.8585 13.1354 14.1188 14.1410 15.4109 15.8371 16.5679 16.6406 17.6685 18.4650 19.8377 20.0315 20.0578 20.4987 26.4466 26.7080 k = 0.3333 0.5774 0.2967 ( 1380 PWs) bands (ev): -69.3863 -69.3863 -37.8425 -37.8346 -25.8431 -25.7965 -25.6673 -25.6517 -3.3989 -3.3813 3.5519 3.8354 8.1997 8.2978 9.3484 9.4410 9.8535 9.8694 12.8988 13.1643 14.0201 14.0427 15.4921 15.9015 16.5852 16.6529 17.6294 18.4434 19.8357 19.9466 20.0290 20.4001 26.3736 26.6311 k = 0.3333 0.5774 0.3062 ( 1374 PWs) bands (ev): -69.3863 -69.3863 -37.8425 -37.8346 -25.8430 -25.7964 -25.6676 -25.6520 -3.3977 -3.3823 3.5251 3.8134 8.1764 8.2713 9.4055 9.4976 9.9143 9.9315 12.9359 13.1901 13.9259 13.9487 15.5722 15.9661 16.6015 16.6635 17.5921 18.4231 19.8336 19.8405 20.0169 20.3153 26.3059 26.5603 k = 0.3333 0.5774 0.3158 ( 1374 PWs) bands (ev): -69.3863 -69.3863 -37.8426 -37.8346 -25.8429 -25.7963 -25.6678 -25.6523 -3.3966 -3.3833 3.5006 3.7934 8.1552 8.2473 9.4581 9.5498 9.9726 9.9911 12.9698 13.2129 13.8369 13.8596 15.6502 16.0303 16.6168 16.6722 17.5568 18.4040 19.7401 19.8314 19.9894 20.2507 26.2439 26.4957 k = 0.3333 0.5774 0.3254 ( 1374 PWs) bands (ev): -69.3863 -69.3863 -37.8426 -37.8347 -25.8428 -25.7963 -25.6681 -25.6526 -3.3956 -3.3841 3.4787 3.7755 8.1362 8.2256 9.5059 9.5974 10.0279 10.0477 13.0006 13.2329 13.7538 13.7762 15.7253 16.0932 16.6309 16.6789 17.5236 18.3865 19.6462 19.8291 19.9441 20.2098 26.1878 26.4375 k = 0.3333 0.5774 0.3350 ( 1374 PWs) bands (ev): -69.3863 -69.3863 -37.8426 -37.8347 -25.8427 -25.7962 -25.6683 -25.6528 -3.3947 -3.3849 3.4592 3.7595 8.1193 8.2065 9.5487 9.6401 10.0792 10.1003 13.0283 13.2502 13.6776 13.6991 15.7960 16.1541 16.6437 16.6832 17.4930 18.3706 19.5599 19.8270 19.8864 20.1880 26.1380 26.3859 k = 0.3333 0.5774 0.3445 ( 1374 PWs) bands (ev): -69.3863 -69.3863 -37.8426 -37.8347 -25.8426 -25.7962 -25.6685 -25.6530 -3.3940 -3.3856 3.4423 3.7457 8.1047 8.1899 9.5863 9.6776 10.1260 10.1483 13.0530 13.2650 13.6090 13.6292 15.8614 16.2119 16.6550 16.6852 17.4652 18.3565 19.4820 19.8249 19.8251 20.1776 26.0946 26.3409 k = 0.3333 0.5774 0.3541 ( 1380 PWs) bands (ev): -69.3863 -69.3863 -37.8427 -37.8348 -25.8426 -25.7961 -25.6687 -25.6532 -3.3933 -3.3862 3.4279 3.7340 8.0922 8.1758 9.6184 9.7098 10.1673 10.1909 13.0747 13.2772 13.5489 13.5673 15.9199 16.2656 16.6647 16.6846 17.4405 18.3443 19.4137 19.7669 19.8230 20.1727 26.0577 26.3026 k = 0.3333 0.5774 0.3637 ( 1380 PWs) bands (ev): -69.3863 -69.3863 -37.8427 -37.8348 -25.8425 -25.7961 -25.6689 -25.6534 -3.3928 -3.3867 3.4162 3.7244 8.0820 8.1642 9.6450 9.7364 10.2025 10.2271 13.0935 13.2872 13.4983 13.5142 15.9704 16.3138 16.6729 16.6819 17.4194 18.3341 19.3560 19.7157 19.8214 20.1707 26.0274 26.2712 k = 0.3333 0.5774 0.3732 ( 1380 PWs) bands (ev): -69.3863 -69.3863 -37.8427 -37.8348 -25.8425 -25.7961 -25.6690 -25.6535 -3.3923 -3.3871 3.4070 3.7169 8.0741 8.1552 9.6658 9.7572 10.2307 10.2562 13.1091 13.2948 13.4580 13.4710 16.0113 16.3549 16.6775 16.6793 17.4024 18.3261 19.3098 19.6738 19.8202 20.1701 26.0038 26.2467 k = 0.3333 0.5774 0.3828 ( 1380 PWs) bands (ev): -69.3863 -69.3863 -37.8427 -37.8348 -25.8424 -25.7960 -25.6691 -25.6536 -3.3920 -3.3874 3.4004 3.7115 8.0684 8.1488 9.6807 9.7723 10.2514 10.2775 13.1211 13.3002 13.4286 13.4388 16.0416 16.3870 16.6725 16.6840 17.3898 18.3203 19.2761 19.6429 19.8192 20.1700 25.9869 26.2291 k = 0.3333 0.5774 0.3924 ( 1374 PWs) bands (ev): -69.3863 -69.3863 -37.8427 -37.8348 -25.8424 -25.7960 -25.6691 -25.6536 -3.3918 -3.3875 3.3965 3.7083 8.0650 8.1449 9.6898 9.7813 10.2640 10.2906 13.1288 13.3035 13.4108 13.4187 16.0602 16.4078 16.6683 16.6868 17.3821 18.3168 19.2557 19.6241 19.8187 20.1701 25.9767 26.2186 k = 0.3333 0.5774 0.4019 ( 1374 PWs) bands (ev): -69.3863 -69.3863 -37.8427 -37.8348 -25.8424 -25.7960 -25.6691 -25.6536 -3.3918 -3.3876 3.3952 3.7072 8.0639 8.1436 9.6928 9.7843 10.2683 10.2949 13.1315 13.3046 13.4048 13.4118 16.0665 16.4150 16.6666 16.6878 17.3794 18.3157 19.2488 19.6177 19.8185 20.1701 25.9733 26.2151 Writing output data file OsN2.save init_run : 2.88s CPU 13.22s WALL ( 1 calls) electrons : 201.11s CPU 206.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.34s CPU 1.43s WALL ( 1 calls) Called by electrons: c_bands : 201.07s CPU 205.75s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.84s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.10s CPU 0.52s WALL ( 1 calls) newd : 0.14s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.08s WALL ( 467 calls) cegterg : 161.68s CPU 163.11s WALL ( 467 calls) Called by sum_band: Called by *egterg: h_psi : 68.51s CPU 72.49s WALL ( 7377 calls) s_psi : 5.00s CPU 5.56s WALL ( 7377 calls) g_psi : 0.10s CPU 0.14s WALL ( 6443 calls) cdiaghg : 70.03s CPU 69.33s WALL ( 6910 calls) cegterg:over : 14.82s CPU 13.00s WALL ( 6443 calls) cegterg:upda : 0.79s CPU 1.77s WALL ( 6443 calls) cegterg:last : 0.84s CPU 1.29s WALL ( 1402 calls) Called by h_psi: h_psi:vloc : 57.53s CPU 61.02s WALL ( 7377 calls) h_psi:vnl : 10.96s CPU 11.33s WALL ( 7377 calls) add_vuspsi : 1.85s CPU 3.97s WALL ( 7377 calls) General routines calbec : 9.10s CPU 7.24s WALL ( 7377 calls) fft : 0.36s CPU 1.28s WALL ( 19 calls) ffts : 0.00s CPU 0.04s WALL ( 4 calls) fftw : 55.78s CPU 58.45s WALL ( 667548 calls) interpolate : 0.11s CPU 0.15s WALL ( 4 calls) davcio : 0.03s CPU 1.90s WALL ( 934 calls) Parallel routines fft_scatter : 40.99s CPU 41.48s WALL ( 667571 calls) PWSCF : 4m13.08s CPU 6m16.09s WALL This run was terminated on: 17:37:48 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=