Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:30:50 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: ./PtC.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 7 2 473 105 20 Max 20 8 3 482 120 23 Sum 955 367 121 22961 5345 1021 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.6786 a.u. unit-cell volume = 151.4072 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.678627 celldm(2)= 1.000000 celldm(3)= 0.954742 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 0.954742 ) 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 1.047403 ) PseudoPot. # 1 for Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pt 10.00 195.08400 Pt( 1.00) C 4.00 12.01070 C( 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= 506 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 2) = ( 0.0081967 0.0047324 -0.0000000), wk = 0.0019763 k( 3) = ( 0.0163934 0.0094648 -0.0000000), wk = 0.0019763 k( 4) = ( 0.0245902 0.0141971 -0.0000000), wk = 0.0019763 k( 5) = ( 0.0327869 0.0189295 -0.0000000), wk = 0.0019763 k( 6) = ( 0.0409836 0.0236619 -0.0000000), wk = 0.0019763 k( 7) = ( 0.0491803 0.0283943 -0.0000000), wk = 0.0019763 k( 8) = ( 0.0573770 0.0331267 -0.0000000), wk = 0.0019763 k( 9) = ( 0.0655738 0.0378590 -0.0000000), wk = 0.0019763 k( 10) = ( 0.0737705 0.0425914 -0.0000000), wk = 0.0019763 k( 11) = ( 0.0819672 0.0473238 -0.0000000), wk = 0.0019763 k( 12) = ( 0.0901639 0.0520562 -0.0000000), wk = 0.0019763 k( 13) = ( 0.0983607 0.0567886 -0.0000000), wk = 0.0019763 k( 14) = ( 0.1065574 0.0615209 -0.0000000), wk = 0.0019763 k( 15) = ( 0.1147541 0.0662533 -0.0000000), wk = 0.0019763 k( 16) = ( 0.1229508 0.0709857 -0.0000000), wk = 0.0019763 k( 17) = ( 0.1311475 0.0757181 -0.0000000), wk = 0.0019763 k( 18) = ( 0.1393443 0.0804504 -0.0000000), wk = 0.0019763 k( 19) = ( 0.1475410 0.0851828 -0.0000000), wk = 0.0019763 k( 20) = ( 0.1557377 0.0899152 -0.0000000), wk = 0.0019763 k( 21) = ( 0.1639344 0.0946476 -0.0000000), wk = 0.0019763 k( 22) = ( 0.1721312 0.0993800 -0.0000000), wk = 0.0019763 k( 23) = ( 0.1803279 0.1041123 -0.0000000), wk = 0.0019763 k( 24) = ( 0.1885246 0.1088447 -0.0000000), wk = 0.0019763 k( 25) = ( 0.1967213 0.1135771 -0.0000000), wk = 0.0019763 k( 26) = ( 0.2049180 0.1183095 -0.0000000), wk = 0.0019763 k( 27) = ( 0.2131147 0.1230419 -0.0000000), wk = 0.0019763 k( 28) = ( 0.2213115 0.1277742 -0.0000000), wk = 0.0019763 k( 29) = ( 0.2295082 0.1325066 -0.0000000), wk = 0.0019763 k( 30) = ( 0.2377049 0.1372390 -0.0000000), wk = 0.0019763 k( 31) = ( 0.2459016 0.1419714 -0.0000000), wk = 0.0019763 k( 32) = ( 0.2540984 0.1467038 -0.0000000), wk = 0.0019763 k( 33) = ( 0.2622951 0.1514361 -0.0000000), wk = 0.0019763 k( 34) = ( 0.2704918 0.1561685 -0.0000000), wk = 0.0019763 k( 35) = ( 0.2786885 0.1609009 -0.0000000), wk = 0.0019763 k( 36) = ( 0.2868852 0.1656333 -0.0000000), wk = 0.0019763 k( 37) = ( 0.2950820 0.1703657 -0.0000000), wk = 0.0019763 k( 38) = ( 0.3032787 0.1750980 -0.0000000), wk = 0.0019763 k( 39) = ( 0.3114754 0.1798304 -0.0000000), wk = 0.0019763 k( 40) = ( 0.3196721 0.1845628 -0.0000000), wk = 0.0019763 k( 41) = ( 0.3278688 0.1892952 -0.0000000), wk = 0.0019763 k( 42) = ( 0.3360656 0.1940275 -0.0000000), wk = 0.0019763 k( 43) = ( 0.3442623 0.1987599 -0.0000000), wk = 0.0019763 k( 44) = ( 0.3524590 0.2034923 -0.0000000), wk = 0.0019763 k( 45) = ( 0.3606557 0.2082247 -0.0000000), wk = 0.0019763 k( 46) = ( 0.3688525 0.2129571 -0.0000000), wk = 0.0019763 k( 47) = ( 0.3770492 0.2176894 -0.0000000), wk = 0.0019763 k( 48) = ( 0.3852459 0.2224218 -0.0000000), wk = 0.0019763 k( 49) = ( 0.3934426 0.2271542 -0.0000000), wk = 0.0019763 k( 50) = ( 0.4016393 0.2318866 -0.0000000), wk = 0.0019763 k( 51) = ( 0.4098361 0.2366190 -0.0000000), wk = 0.0019763 k( 52) = ( 0.4180328 0.2413513 -0.0000000), wk = 0.0019763 k( 53) = ( 0.4262295 0.2460837 -0.0000000), wk = 0.0019763 k( 54) = ( 0.4344262 0.2508161 -0.0000000), wk = 0.0019763 k( 55) = ( 0.4426230 0.2555485 -0.0000000), wk = 0.0019763 k( 56) = ( 0.4508197 0.2602809 -0.0000000), wk = 0.0019763 k( 57) = ( 0.4590164 0.2650132 -0.0000000), wk = 0.0019763 k( 58) = ( 0.4672131 0.2697456 -0.0000000), wk = 0.0019763 k( 59) = ( 0.4754098 0.2744780 -0.0000000), wk = 0.0019763 k( 60) = ( 0.4836066 0.2792104 -0.0000000), wk = 0.0019763 k( 61) = ( 0.4918033 0.2839428 -0.0000000), wk = 0.0019763 k( 62) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019763 k( 63) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019763 k( 64) = ( 0.4952381 0.2969230 -0.0000000), wk = 0.0019763 k( 65) = ( 0.4904762 0.3051709 -0.0000000), wk = 0.0019763 k( 66) = ( 0.4857143 0.3134187 -0.0000000), wk = 0.0019763 k( 67) = ( 0.4809524 0.3216666 -0.0000000), wk = 0.0019763 k( 68) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0019763 k( 69) = ( 0.4714286 0.3381623 -0.0000000), wk = 0.0019763 k( 70) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0019763 k( 71) = ( 0.4619048 0.3546580 -0.0000000), wk = 0.0019763 k( 72) = ( 0.4571429 0.3629059 -0.0000000), wk = 0.0019763 k( 73) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0019763 k( 74) = ( 0.4476191 0.3794016 -0.0000000), wk = 0.0019763 k( 75) = ( 0.4428571 0.3876495 -0.0000000), wk = 0.0019763 k( 76) = ( 0.4380952 0.3958973 -0.0000000), wk = 0.0019763 k( 77) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0019763 k( 78) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0019763 k( 79) = ( 0.4238095 0.4206409 -0.0000000), wk = 0.0019763 k( 80) = ( 0.4190476 0.4288888 -0.0000000), wk = 0.0019763 k( 81) = ( 0.4142857 0.4371366 -0.0000000), wk = 0.0019763 k( 82) = ( 0.4095238 0.4453845 -0.0000000), wk = 0.0019763 k( 83) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0019763 k( 84) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0019763 k( 85) = ( 0.3952381 0.4701281 -0.0000000), wk = 0.0019763 k( 86) = ( 0.3904762 0.4783759 -0.0000000), wk = 0.0019763 k( 87) = ( 0.3857143 0.4866238 -0.0000000), wk = 0.0019763 k( 88) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0019763 k( 89) = ( 0.3761905 0.5031195 -0.0000000), wk = 0.0019763 k( 90) = ( 0.3714286 0.5113674 -0.0000000), wk = 0.0019763 k( 91) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0019763 k( 92) = ( 0.3619048 0.5278631 -0.0000000), wk = 0.0019763 k( 93) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0019763 k( 94) = ( 0.3523810 0.5443588 -0.0000000), wk = 0.0019763 k( 95) = ( 0.3476190 0.5526067 -0.0000000), wk = 0.0019763 k( 96) = ( 0.3428571 0.5608545 -0.0000000), wk = 0.0019763 k( 97) = ( 0.3380952 0.5691024 -0.0000000), wk = 0.0019763 k( 98) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019763 k( 99) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019763 k( 100) = ( 0.3285714 0.5691024 -0.0000000), wk = 0.0019763 k( 101) = ( 0.3238095 0.5608545 -0.0000000), wk = 0.0019763 k( 102) = ( 0.3190476 0.5526067 -0.0000000), wk = 0.0019763 k( 103) = ( 0.3142857 0.5443588 -0.0000000), wk = 0.0019763 k( 104) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0019763 k( 105) = ( 0.3047619 0.5278631 -0.0000000), wk = 0.0019763 k( 106) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0019763 k( 107) = ( 0.2952381 0.5113674 -0.0000000), wk = 0.0019763 k( 108) = ( 0.2904762 0.5031195 -0.0000000), wk = 0.0019763 k( 109) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0019763 k( 110) = ( 0.2809524 0.4866238 -0.0000000), wk = 0.0019763 k( 111) = ( 0.2761905 0.4783759 -0.0000000), wk = 0.0019763 k( 112) = ( 0.2714286 0.4701281 -0.0000000), wk = 0.0019763 k( 113) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0019763 k( 114) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0019763 k( 115) = ( 0.2571429 0.4453845 -0.0000000), wk = 0.0019763 k( 116) = ( 0.2523809 0.4371366 -0.0000000), wk = 0.0019763 k( 117) = ( 0.2476191 0.4288888 -0.0000000), wk = 0.0019763 k( 118) = ( 0.2428571 0.4206409 -0.0000000), wk = 0.0019763 k( 119) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0019763 k( 120) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0019763 k( 121) = ( 0.2285714 0.3958973 -0.0000000), wk = 0.0019763 k( 122) = ( 0.2238095 0.3876495 -0.0000000), wk = 0.0019763 k( 123) = ( 0.2190476 0.3794016 -0.0000000), wk = 0.0019763 k( 124) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0019763 k( 125) = ( 0.2095238 0.3629059 -0.0000000), wk = 0.0019763 k( 126) = ( 0.2047619 0.3546580 -0.0000000), wk = 0.0019763 k( 127) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0019763 k( 128) = ( 0.1952381 0.3381623 -0.0000000), wk = 0.0019763 k( 129) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0019763 k( 130) = ( 0.1857143 0.3216666 -0.0000000), wk = 0.0019763 k( 131) = ( 0.1809524 0.3134187 -0.0000000), wk = 0.0019763 k( 132) = ( 0.1761905 0.3051709 -0.0000000), wk = 0.0019763 k( 133) = ( 0.1714286 0.2969230 -0.0000000), wk = 0.0019763 k( 134) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0019763 k( 135) = ( 0.1619048 0.2804273 -0.0000000), wk = 0.0019763 k( 136) = ( 0.1571429 0.2721794 -0.0000000), wk = 0.0019763 k( 137) = ( 0.1523809 0.2639315 -0.0000000), wk = 0.0019763 k( 138) = ( 0.1476191 0.2556837 -0.0000000), wk = 0.0019763 k( 139) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0019763 k( 140) = ( 0.1380952 0.2391880 -0.0000000), wk = 0.0019763 k( 141) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0019763 k( 142) = ( 0.1285714 0.2226922 -0.0000000), wk = 0.0019763 k( 143) = ( 0.1238095 0.2144444 -0.0000000), wk = 0.0019763 k( 144) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0019763 k( 145) = ( 0.1142857 0.1979487 -0.0000000), wk = 0.0019763 k( 146) = ( 0.1095238 0.1897008 -0.0000000), wk = 0.0019763 k( 147) = ( 0.1047619 0.1814529 -0.0000000), wk = 0.0019763 k( 148) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0019763 k( 149) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0019763 k( 150) = ( 0.0904762 0.1567094 -0.0000000), wk = 0.0019763 k( 151) = ( 0.0857143 0.1484615 -0.0000000), wk = 0.0019763 k( 152) = ( 0.0809524 0.1402136 -0.0000000), wk = 0.0019763 k( 153) = ( 0.0761905 0.1319658 -0.0000000), wk = 0.0019763 k( 154) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0019763 k( 155) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0019763 k( 156) = ( 0.0619048 0.1072222 -0.0000000), wk = 0.0019763 k( 157) = ( 0.0571429 0.0989743 -0.0000000), wk = 0.0019763 k( 158) = ( 0.0523810 0.0907265 -0.0000000), wk = 0.0019763 k( 159) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0019763 k( 160) = ( 0.0428571 0.0742307 -0.0000000), wk = 0.0019763 k( 161) = ( 0.0380952 0.0659829 -0.0000000), wk = 0.0019763 k( 162) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0019763 k( 163) = ( 0.0285714 0.0494872 -0.0000000), wk = 0.0019763 k( 164) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0019763 k( 165) = ( 0.0190476 0.0329914 -0.0000000), wk = 0.0019763 k( 166) = ( 0.0142857 0.0247436 -0.0000000), wk = 0.0019763 k( 167) = ( 0.0095238 0.0164957 -0.0000000), wk = 0.0019763 k( 168) = ( 0.0047619 0.0082479 -0.0000000), wk = 0.0019763 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 171) = ( 0.0000000 0.0000000 0.0095218), wk = 0.0019763 k( 172) = ( 0.0000000 0.0000000 0.0190437), wk = 0.0019763 k( 173) = ( 0.0000000 0.0000000 0.0285655), wk = 0.0019763 k( 174) = ( 0.0000000 0.0000000 0.0380874), wk = 0.0019763 k( 175) = ( 0.0000000 0.0000000 0.0476092), wk = 0.0019763 k( 176) = ( 0.0000000 0.0000000 0.0571311), wk = 0.0019763 k( 177) = ( 0.0000000 0.0000000 0.0666529), wk = 0.0019763 k( 178) = ( 0.0000000 0.0000000 0.0761748), wk = 0.0019763 k( 179) = ( 0.0000000 0.0000000 0.0856966), wk = 0.0019763 k( 180) = ( 0.0000000 0.0000000 0.0952185), wk = 0.0019763 k( 181) = ( 0.0000000 0.0000000 0.1047403), wk = 0.0019763 k( 182) = ( 0.0000000 0.0000000 0.1142622), wk = 0.0019763 k( 183) = ( 0.0000000 0.0000000 0.1237840), wk = 0.0019763 k( 184) = ( 0.0000000 0.0000000 0.1333059), wk = 0.0019763 k( 185) = ( 0.0000000 0.0000000 0.1428277), wk = 0.0019763 k( 186) = ( 0.0000000 0.0000000 0.1523496), wk = 0.0019763 k( 187) = ( 0.0000000 0.0000000 0.1618714), wk = 0.0019763 k( 188) = ( 0.0000000 0.0000000 0.1713933), wk = 0.0019763 k( 189) = ( 0.0000000 0.0000000 0.1809151), wk = 0.0019763 k( 190) = ( 0.0000000 0.0000000 0.1904370), wk = 0.0019763 k( 191) = ( 0.0000000 0.0000000 0.1999588), wk = 0.0019763 k( 192) = ( 0.0000000 0.0000000 0.2094807), wk = 0.0019763 k( 193) = ( 0.0000000 0.0000000 0.2190025), wk = 0.0019763 k( 194) = ( 0.0000000 0.0000000 0.2285244), wk = 0.0019763 k( 195) = ( 0.0000000 0.0000000 0.2380462), wk = 0.0019763 k( 196) = ( 0.0000000 0.0000000 0.2475681), wk = 0.0019763 k( 197) = ( 0.0000000 0.0000000 0.2570899), wk = 0.0019763 k( 198) = ( 0.0000000 0.0000000 0.2666117), wk = 0.0019763 k( 199) = ( 0.0000000 0.0000000 0.2761336), wk = 0.0019763 k( 200) = ( 0.0000000 0.0000000 0.2856554), wk = 0.0019763 k( 201) = ( 0.0000000 0.0000000 0.2951773), wk = 0.0019763 k( 202) = ( 0.0000000 0.0000000 0.3046991), wk = 0.0019763 k( 203) = ( 0.0000000 0.0000000 0.3142210), wk = 0.0019763 k( 204) = ( 0.0000000 0.0000000 0.3237428), wk = 0.0019763 k( 205) = ( 0.0000000 0.0000000 0.3332647), wk = 0.0019763 k( 206) = ( 0.0000000 0.0000000 0.3427865), wk = 0.0019763 k( 207) = ( 0.0000000 0.0000000 0.3523084), wk = 0.0019763 k( 208) = ( 0.0000000 0.0000000 0.3618302), wk = 0.0019763 k( 209) = ( 0.0000000 0.0000000 0.3713521), wk = 0.0019763 k( 210) = ( 0.0000000 0.0000000 0.3808739), wk = 0.0019763 k( 211) = ( 0.0000000 0.0000000 0.3903958), wk = 0.0019763 k( 212) = ( 0.0000000 0.0000000 0.3999176), wk = 0.0019763 k( 213) = ( 0.0000000 0.0000000 0.4094395), wk = 0.0019763 k( 214) = ( 0.0000000 0.0000000 0.4189613), wk = 0.0019763 k( 215) = ( 0.0000000 0.0000000 0.4284832), wk = 0.0019763 k( 216) = ( 0.0000000 0.0000000 0.4380050), wk = 0.0019763 k( 217) = ( 0.0000000 0.0000000 0.4475269), wk = 0.0019763 k( 218) = ( 0.0000000 0.0000000 0.4570487), wk = 0.0019763 k( 219) = ( 0.0000000 0.0000000 0.4665706), wk = 0.0019763 k( 220) = ( 0.0000000 0.0000000 0.4760924), wk = 0.0019763 k( 221) = ( 0.0000000 0.0000000 0.4856142), wk = 0.0019763 k( 222) = ( 0.0000000 0.0000000 0.4951361), wk = 0.0019763 k( 223) = ( 0.0000000 0.0000000 0.5046579), wk = 0.0019763 k( 224) = ( 0.0000000 0.0000000 0.5141798), wk = 0.0019763 k( 225) = ( 0.0000000 0.0000000 0.5237016), wk = 0.0019763 k( 226) = ( 0.0000000 0.0000000 0.5237016), wk = 0.0019763 k( 227) = ( 0.0081967 0.0047324 0.5237016), wk = 0.0019763 k( 228) = ( 0.0163934 0.0094648 0.5237016), wk = 0.0019763 k( 229) = ( 0.0245902 0.0141971 0.5237016), wk = 0.0019763 k( 230) = ( 0.0327869 0.0189295 0.5237016), wk = 0.0019763 k( 231) = ( 0.0409836 0.0236619 0.5237016), wk = 0.0019763 k( 232) = ( 0.0491803 0.0283943 0.5237016), wk = 0.0019763 k( 233) = ( 0.0573770 0.0331267 0.5237016), wk = 0.0019763 k( 234) = ( 0.0655738 0.0378590 0.5237016), wk = 0.0019763 k( 235) = ( 0.0737705 0.0425914 0.5237016), wk = 0.0019763 k( 236) = ( 0.0819672 0.0473238 0.5237016), wk = 0.0019763 k( 237) = ( 0.0901639 0.0520562 0.5237016), wk = 0.0019763 k( 238) = ( 0.0983607 0.0567886 0.5237016), wk = 0.0019763 k( 239) = ( 0.1065574 0.0615209 0.5237016), wk = 0.0019763 k( 240) = ( 0.1147541 0.0662533 0.5237016), wk = 0.0019763 k( 241) = ( 0.1229508 0.0709857 0.5237016), wk = 0.0019763 k( 242) = ( 0.1311475 0.0757181 0.5237016), wk = 0.0019763 k( 243) = ( 0.1393443 0.0804504 0.5237016), wk = 0.0019763 k( 244) = ( 0.1475410 0.0851828 0.5237016), wk = 0.0019763 k( 245) = ( 0.1557377 0.0899152 0.5237016), wk = 0.0019763 k( 246) = ( 0.1639344 0.0946476 0.5237016), wk = 0.0019763 k( 247) = ( 0.1721312 0.0993800 0.5237016), wk = 0.0019763 k( 248) = ( 0.1803279 0.1041123 0.5237016), wk = 0.0019763 k( 249) = ( 0.1885246 0.1088447 0.5237016), wk = 0.0019763 k( 250) = ( 0.1967213 0.1135771 0.5237016), wk = 0.0019763 k( 251) = ( 0.2049180 0.1183095 0.5237016), wk = 0.0019763 k( 252) = ( 0.2131147 0.1230419 0.5237016), wk = 0.0019763 k( 253) = ( 0.2213115 0.1277742 0.5237016), wk = 0.0019763 k( 254) = ( 0.2295082 0.1325066 0.5237016), wk = 0.0019763 k( 255) = ( 0.2377049 0.1372390 0.5237016), wk = 0.0019763 k( 256) = ( 0.2459016 0.1419714 0.5237016), wk = 0.0019763 k( 257) = ( 0.2540984 0.1467038 0.5237016), wk = 0.0019763 k( 258) = ( 0.2622951 0.1514361 0.5237016), wk = 0.0019763 k( 259) = ( 0.2704918 0.1561685 0.5237016), wk = 0.0019763 k( 260) = ( 0.2786885 0.1609009 0.5237016), wk = 0.0019763 k( 261) = ( 0.2868852 0.1656333 0.5237016), wk = 0.0019763 k( 262) = ( 0.2950820 0.1703657 0.5237016), wk = 0.0019763 k( 263) = ( 0.3032787 0.1750980 0.5237016), wk = 0.0019763 k( 264) = ( 0.3114754 0.1798304 0.5237016), wk = 0.0019763 k( 265) = ( 0.3196721 0.1845628 0.5237016), wk = 0.0019763 k( 266) = ( 0.3278688 0.1892952 0.5237016), wk = 0.0019763 k( 267) = ( 0.3360656 0.1940275 0.5237016), wk = 0.0019763 k( 268) = ( 0.3442623 0.1987599 0.5237016), wk = 0.0019763 k( 269) = ( 0.3524590 0.2034923 0.5237016), wk = 0.0019763 k( 270) = ( 0.3606557 0.2082247 0.5237016), wk = 0.0019763 k( 271) = ( 0.3688525 0.2129571 0.5237016), wk = 0.0019763 k( 272) = ( 0.3770492 0.2176894 0.5237016), wk = 0.0019763 k( 273) = ( 0.3852459 0.2224218 0.5237016), wk = 0.0019763 k( 274) = ( 0.3934426 0.2271542 0.5237016), wk = 0.0019763 k( 275) = ( 0.4016393 0.2318866 0.5237016), wk = 0.0019763 k( 276) = ( 0.4098361 0.2366190 0.5237016), wk = 0.0019763 k( 277) = ( 0.4180328 0.2413513 0.5237016), wk = 0.0019763 k( 278) = ( 0.4262295 0.2460837 0.5237016), wk = 0.0019763 k( 279) = ( 0.4344262 0.2508161 0.5237016), wk = 0.0019763 k( 280) = ( 0.4426230 0.2555485 0.5237016), wk = 0.0019763 k( 281) = ( 0.4508197 0.2602809 0.5237016), wk = 0.0019763 k( 282) = ( 0.4590164 0.2650132 0.5237016), wk = 0.0019763 k( 283) = ( 0.4672131 0.2697456 0.5237016), wk = 0.0019763 k( 284) = ( 0.4754098 0.2744780 0.5237016), wk = 0.0019763 k( 285) = ( 0.4836066 0.2792104 0.5237016), wk = 0.0019763 k( 286) = ( 0.4918033 0.2839428 0.5237016), wk = 0.0019763 k( 287) = ( 0.5000000 0.2886751 0.5237016), wk = 0.0019763 k( 288) = ( 0.5000000 0.2886751 0.5237016), wk = 0.0019763 k( 289) = ( 0.4952381 0.2969230 0.5237016), wk = 0.0019763 k( 290) = ( 0.4904762 0.3051709 0.5237016), wk = 0.0019763 k( 291) = ( 0.4857143 0.3134187 0.5237016), wk = 0.0019763 k( 292) = ( 0.4809524 0.3216666 0.5237016), wk = 0.0019763 k( 293) = ( 0.4761905 0.3299144 0.5237016), wk = 0.0019763 k( 294) = ( 0.4714286 0.3381623 0.5237016), wk = 0.0019763 k( 295) = ( 0.4666667 0.3464102 0.5237016), wk = 0.0019763 k( 296) = ( 0.4619048 0.3546580 0.5237016), wk = 0.0019763 k( 297) = ( 0.4571429 0.3629059 0.5237016), wk = 0.0019763 k( 298) = ( 0.4523810 0.3711537 0.5237016), wk = 0.0019763 k( 299) = ( 0.4476191 0.3794016 0.5237016), wk = 0.0019763 k( 300) = ( 0.4428571 0.3876495 0.5237016), wk = 0.0019763 k( 301) = ( 0.4380952 0.3958973 0.5237016), wk = 0.0019763 k( 302) = ( 0.4333333 0.4041452 0.5237016), wk = 0.0019763 k( 303) = ( 0.4285714 0.4123930 0.5237016), wk = 0.0019763 k( 304) = ( 0.4238095 0.4206409 0.5237016), wk = 0.0019763 k( 305) = ( 0.4190476 0.4288888 0.5237016), wk = 0.0019763 k( 306) = ( 0.4142857 0.4371366 0.5237016), wk = 0.0019763 k( 307) = ( 0.4095238 0.4453845 0.5237016), wk = 0.0019763 k( 308) = ( 0.4047619 0.4536324 0.5237016), wk = 0.0019763 k( 309) = ( 0.4000000 0.4618802 0.5237016), wk = 0.0019763 k( 310) = ( 0.3952381 0.4701281 0.5237016), wk = 0.0019763 k( 311) = ( 0.3904762 0.4783759 0.5237016), wk = 0.0019763 k( 312) = ( 0.3857143 0.4866238 0.5237016), wk = 0.0019763 k( 313) = ( 0.3809524 0.4948717 0.5237016), wk = 0.0019763 k( 314) = ( 0.3761905 0.5031195 0.5237016), wk = 0.0019763 k( 315) = ( 0.3714286 0.5113674 0.5237016), wk = 0.0019763 k( 316) = ( 0.3666667 0.5196152 0.5237016), wk = 0.0019763 k( 317) = ( 0.3619048 0.5278631 0.5237016), wk = 0.0019763 k( 318) = ( 0.3571429 0.5361110 0.5237016), wk = 0.0019763 k( 319) = ( 0.3523810 0.5443588 0.5237016), wk = 0.0019763 k( 320) = ( 0.3476190 0.5526067 0.5237016), wk = 0.0019763 k( 321) = ( 0.3428571 0.5608545 0.5237016), wk = 0.0019763 k( 322) = ( 0.3380952 0.5691024 0.5237016), wk = 0.0019763 k( 323) = ( 0.3333333 0.5773503 0.5237016), wk = 0.0019763 k( 324) = ( 0.3333333 0.5773503 0.5237016), wk = 0.0019763 k( 325) = ( 0.3285714 0.5691024 0.5237016), wk = 0.0019763 k( 326) = ( 0.3238095 0.5608545 0.5237016), wk = 0.0019763 k( 327) = ( 0.3190476 0.5526067 0.5237016), wk = 0.0019763 k( 328) = ( 0.3142857 0.5443588 0.5237016), wk = 0.0019763 k( 329) = ( 0.3095238 0.5361110 0.5237016), wk = 0.0019763 k( 330) = ( 0.3047619 0.5278631 0.5237016), wk = 0.0019763 k( 331) = ( 0.3000000 0.5196152 0.5237016), wk = 0.0019763 k( 332) = ( 0.2952381 0.5113674 0.5237016), wk = 0.0019763 k( 333) = ( 0.2904762 0.5031195 0.5237016), wk = 0.0019763 k( 334) = ( 0.2857143 0.4948717 0.5237016), wk = 0.0019763 k( 335) = ( 0.2809524 0.4866238 0.5237016), wk = 0.0019763 k( 336) = ( 0.2761905 0.4783759 0.5237016), wk = 0.0019763 k( 337) = ( 0.2714286 0.4701281 0.5237016), wk = 0.0019763 k( 338) = ( 0.2666667 0.4618802 0.5237016), wk = 0.0019763 k( 339) = ( 0.2619048 0.4536324 0.5237016), wk = 0.0019763 k( 340) = ( 0.2571429 0.4453845 0.5237016), wk = 0.0019763 k( 341) = ( 0.2523809 0.4371366 0.5237016), wk = 0.0019763 k( 342) = ( 0.2476191 0.4288888 0.5237016), wk = 0.0019763 k( 343) = ( 0.2428571 0.4206409 0.5237016), wk = 0.0019763 k( 344) = ( 0.2380952 0.4123931 0.5237016), wk = 0.0019763 k( 345) = ( 0.2333333 0.4041452 0.5237016), wk = 0.0019763 k( 346) = ( 0.2285714 0.3958973 0.5237016), wk = 0.0019763 k( 347) = ( 0.2238095 0.3876495 0.5237016), wk = 0.0019763 k( 348) = ( 0.2190476 0.3794016 0.5237016), wk = 0.0019763 k( 349) = ( 0.2142857 0.3711537 0.5237016), wk = 0.0019763 k( 350) = ( 0.2095238 0.3629059 0.5237016), wk = 0.0019763 k( 351) = ( 0.2047619 0.3546580 0.5237016), wk = 0.0019763 k( 352) = ( 0.2000000 0.3464102 0.5237016), wk = 0.0019763 k( 353) = ( 0.1952381 0.3381623 0.5237016), wk = 0.0019763 k( 354) = ( 0.1904762 0.3299144 0.5237016), wk = 0.0019763 k( 355) = ( 0.1857143 0.3216666 0.5237016), wk = 0.0019763 k( 356) = ( 0.1809524 0.3134187 0.5237016), wk = 0.0019763 k( 357) = ( 0.1761905 0.3051709 0.5237016), wk = 0.0019763 k( 358) = ( 0.1714286 0.2969230 0.5237016), wk = 0.0019763 k( 359) = ( 0.1666667 0.2886751 0.5237016), wk = 0.0019763 k( 360) = ( 0.1619048 0.2804273 0.5237016), wk = 0.0019763 k( 361) = ( 0.1571429 0.2721794 0.5237016), wk = 0.0019763 k( 362) = ( 0.1523809 0.2639315 0.5237016), wk = 0.0019763 k( 363) = ( 0.1476191 0.2556837 0.5237016), wk = 0.0019763 k( 364) = ( 0.1428571 0.2474358 0.5237016), wk = 0.0019763 k( 365) = ( 0.1380952 0.2391880 0.5237016), wk = 0.0019763 k( 366) = ( 0.1333333 0.2309401 0.5237016), wk = 0.0019763 k( 367) = ( 0.1285714 0.2226922 0.5237016), wk = 0.0019763 k( 368) = ( 0.1238095 0.2144444 0.5237016), wk = 0.0019763 k( 369) = ( 0.1190476 0.2061965 0.5237016), wk = 0.0019763 k( 370) = ( 0.1142857 0.1979487 0.5237016), wk = 0.0019763 k( 371) = ( 0.1095238 0.1897008 0.5237016), wk = 0.0019763 k( 372) = ( 0.1047619 0.1814529 0.5237016), wk = 0.0019763 k( 373) = ( 0.1000000 0.1732051 0.5237016), wk = 0.0019763 k( 374) = ( 0.0952381 0.1649572 0.5237016), wk = 0.0019763 k( 375) = ( 0.0904762 0.1567094 0.5237016), wk = 0.0019763 k( 376) = ( 0.0857143 0.1484615 0.5237016), wk = 0.0019763 k( 377) = ( 0.0809524 0.1402136 0.5237016), wk = 0.0019763 k( 378) = ( 0.0761905 0.1319658 0.5237016), wk = 0.0019763 k( 379) = ( 0.0714286 0.1237179 0.5237016), wk = 0.0019763 k( 380) = ( 0.0666667 0.1154701 0.5237016), wk = 0.0019763 k( 381) = ( 0.0619048 0.1072222 0.5237016), wk = 0.0019763 k( 382) = ( 0.0571429 0.0989743 0.5237016), wk = 0.0019763 k( 383) = ( 0.0523810 0.0907265 0.5237016), wk = 0.0019763 k( 384) = ( 0.0476191 0.0824786 0.5237016), wk = 0.0019763 k( 385) = ( 0.0428571 0.0742307 0.5237016), wk = 0.0019763 k( 386) = ( 0.0380952 0.0659829 0.5237016), wk = 0.0019763 k( 387) = ( 0.0333333 0.0577350 0.5237016), wk = 0.0019763 k( 388) = ( 0.0285714 0.0494872 0.5237016), wk = 0.0019763 k( 389) = ( 0.0238095 0.0412393 0.5237016), wk = 0.0019763 k( 390) = ( 0.0190476 0.0329914 0.5237016), wk = 0.0019763 k( 391) = ( 0.0142857 0.0247436 0.5237016), wk = 0.0019763 k( 392) = ( 0.0095238 0.0164957 0.5237016), wk = 0.0019763 k( 393) = ( 0.0047619 0.0082479 0.5237016), wk = 0.0019763 k( 394) = ( 0.0000000 0.0000000 0.5237016), wk = 0.0019763 k( 395) = ( 0.5000000 0.2886751 0.5237016), wk = 0.0019763 k( 396) = ( 0.5000000 0.2886751 0.5141798), wk = 0.0019763 k( 397) = ( 0.5000000 0.2886751 0.5046579), wk = 0.0019763 k( 398) = ( 0.5000000 0.2886751 0.4951361), wk = 0.0019763 k( 399) = ( 0.5000000 0.2886751 0.4856142), wk = 0.0019763 k( 400) = ( 0.5000000 0.2886751 0.4760924), wk = 0.0019763 k( 401) = ( 0.5000000 0.2886751 0.4665706), wk = 0.0019763 k( 402) = ( 0.5000000 0.2886751 0.4570487), wk = 0.0019763 k( 403) = ( 0.5000000 0.2886751 0.4475269), wk = 0.0019763 k( 404) = ( 0.5000000 0.2886751 0.4380050), wk = 0.0019763 k( 405) = ( 0.5000000 0.2886751 0.4284832), wk = 0.0019763 k( 406) = ( 0.5000000 0.2886751 0.4189613), wk = 0.0019763 k( 407) = ( 0.5000000 0.2886751 0.4094395), wk = 0.0019763 k( 408) = ( 0.5000000 0.2886751 0.3999176), wk = 0.0019763 k( 409) = ( 0.5000000 0.2886751 0.3903958), wk = 0.0019763 k( 410) = ( 0.5000000 0.2886751 0.3808739), wk = 0.0019763 k( 411) = ( 0.5000000 0.2886751 0.3713521), wk = 0.0019763 k( 412) = ( 0.5000000 0.2886751 0.3618302), wk = 0.0019763 k( 413) = ( 0.5000000 0.2886751 0.3523084), wk = 0.0019763 k( 414) = ( 0.5000000 0.2886751 0.3427865), wk = 0.0019763 k( 415) = ( 0.5000000 0.2886751 0.3332647), wk = 0.0019763 k( 416) = ( 0.5000000 0.2886751 0.3237428), wk = 0.0019763 k( 417) = ( 0.5000000 0.2886751 0.3142210), wk = 0.0019763 k( 418) = ( 0.5000000 0.2886751 0.3046991), wk = 0.0019763 k( 419) = ( 0.5000000 0.2886751 0.2951773), wk = 0.0019763 k( 420) = ( 0.5000000 0.2886751 0.2856554), wk = 0.0019763 k( 421) = ( 0.5000000 0.2886751 0.2761336), wk = 0.0019763 k( 422) = ( 0.5000000 0.2886751 0.2666117), wk = 0.0019763 k( 423) = ( 0.5000000 0.2886751 0.2570899), wk = 0.0019763 k( 424) = ( 0.5000000 0.2886751 0.2475681), wk = 0.0019763 k( 425) = ( 0.5000000 0.2886751 0.2380462), wk = 0.0019763 k( 426) = ( 0.5000000 0.2886751 0.2285244), wk = 0.0019763 k( 427) = ( 0.5000000 0.2886751 0.2190025), wk = 0.0019763 k( 428) = ( 0.5000000 0.2886751 0.2094807), wk = 0.0019763 k( 429) = ( 0.5000000 0.2886751 0.1999588), wk = 0.0019763 k( 430) = ( 0.5000000 0.2886751 0.1904370), wk = 0.0019763 k( 431) = ( 0.5000000 0.2886751 0.1809151), wk = 0.0019763 k( 432) = ( 0.5000000 0.2886751 0.1713933), wk = 0.0019763 k( 433) = ( 0.5000000 0.2886751 0.1618714), wk = 0.0019763 k( 434) = ( 0.5000000 0.2886751 0.1523496), wk = 0.0019763 k( 435) = ( 0.5000000 0.2886751 0.1428277), wk = 0.0019763 k( 436) = ( 0.5000000 0.2886751 0.1333059), wk = 0.0019763 k( 437) = ( 0.5000000 0.2886751 0.1237840), wk = 0.0019763 k( 438) = ( 0.5000000 0.2886751 0.1142622), wk = 0.0019763 k( 439) = ( 0.5000000 0.2886751 0.1047403), wk = 0.0019763 k( 440) = ( 0.5000000 0.2886751 0.0952185), wk = 0.0019763 k( 441) = ( 0.5000000 0.2886751 0.0856966), wk = 0.0019763 k( 442) = ( 0.5000000 0.2886751 0.0761748), wk = 0.0019763 k( 443) = ( 0.5000000 0.2886751 0.0666529), wk = 0.0019763 k( 444) = ( 0.5000000 0.2886751 0.0571311), wk = 0.0019763 k( 445) = ( 0.5000000 0.2886751 0.0476092), wk = 0.0019763 k( 446) = ( 0.5000000 0.2886751 0.0380874), wk = 0.0019763 k( 447) = ( 0.5000000 0.2886751 0.0285655), wk = 0.0019763 k( 448) = ( 0.5000000 0.2886751 0.0190437), wk = 0.0019763 k( 449) = ( 0.5000000 0.2886751 0.0095218), wk = 0.0019763 k( 450) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019763 k( 451) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019763 k( 452) = ( 0.3333333 0.5773503 0.0095218), wk = 0.0019763 k( 453) = ( 0.3333333 0.5773503 0.0190437), wk = 0.0019763 k( 454) = ( 0.3333333 0.5773503 0.0285655), wk = 0.0019763 k( 455) = ( 0.3333333 0.5773503 0.0380874), wk = 0.0019763 k( 456) = ( 0.3333333 0.5773503 0.0476092), wk = 0.0019763 k( 457) = ( 0.3333333 0.5773503 0.0571311), wk = 0.0019763 k( 458) = ( 0.3333333 0.5773503 0.0666529), wk = 0.0019763 k( 459) = ( 0.3333333 0.5773503 0.0761748), wk = 0.0019763 k( 460) = ( 0.3333333 0.5773503 0.0856966), wk = 0.0019763 k( 461) = ( 0.3333333 0.5773503 0.0952185), wk = 0.0019763 k( 462) = ( 0.3333333 0.5773503 0.1047403), wk = 0.0019763 k( 463) = ( 0.3333333 0.5773503 0.1142622), wk = 0.0019763 k( 464) = ( 0.3333333 0.5773503 0.1237840), wk = 0.0019763 k( 465) = ( 0.3333333 0.5773503 0.1333059), wk = 0.0019763 k( 466) = ( 0.3333333 0.5773503 0.1428277), wk = 0.0019763 k( 467) = ( 0.3333333 0.5773503 0.1523496), wk = 0.0019763 k( 468) = ( 0.3333333 0.5773503 0.1618714), wk = 0.0019763 k( 469) = ( 0.3333333 0.5773503 0.1713933), wk = 0.0019763 k( 470) = ( 0.3333333 0.5773503 0.1809151), wk = 0.0019763 k( 471) = ( 0.3333333 0.5773503 0.1904370), wk = 0.0019763 k( 472) = ( 0.3333333 0.5773503 0.1999588), wk = 0.0019763 k( 473) = ( 0.3333333 0.5773503 0.2094807), wk = 0.0019763 k( 474) = ( 0.3333333 0.5773503 0.2190025), wk = 0.0019763 k( 475) = ( 0.3333333 0.5773503 0.2285244), wk = 0.0019763 k( 476) = ( 0.3333333 0.5773503 0.2380462), wk = 0.0019763 k( 477) = ( 0.3333333 0.5773503 0.2475681), wk = 0.0019763 k( 478) = ( 0.3333333 0.5773503 0.2570899), wk = 0.0019763 k( 479) = ( 0.3333333 0.5773503 0.2666117), wk = 0.0019763 k( 480) = ( 0.3333333 0.5773503 0.2761336), wk = 0.0019763 k( 481) = ( 0.3333333 0.5773503 0.2856554), wk = 0.0019763 k( 482) = ( 0.3333333 0.5773503 0.2951773), wk = 0.0019763 k( 483) = ( 0.3333333 0.5773503 0.3046991), wk = 0.0019763 k( 484) = ( 0.3333333 0.5773503 0.3142210), wk = 0.0019763 k( 485) = ( 0.3333333 0.5773503 0.3237428), wk = 0.0019763 k( 486) = ( 0.3333333 0.5773503 0.3332647), wk = 0.0019763 k( 487) = ( 0.3333333 0.5773503 0.3427865), wk = 0.0019763 k( 488) = ( 0.3333333 0.5773503 0.3523084), wk = 0.0019763 k( 489) = ( 0.3333333 0.5773503 0.3618302), wk = 0.0019763 k( 490) = ( 0.3333333 0.5773503 0.3713521), wk = 0.0019763 k( 491) = ( 0.3333333 0.5773503 0.3808739), wk = 0.0019763 k( 492) = ( 0.3333333 0.5773503 0.3903958), wk = 0.0019763 k( 493) = ( 0.3333333 0.5773503 0.3999176), wk = 0.0019763 k( 494) = ( 0.3333333 0.5773503 0.4094395), wk = 0.0019763 k( 495) = ( 0.3333333 0.5773503 0.4189613), wk = 0.0019763 k( 496) = ( 0.3333333 0.5773503 0.4284832), wk = 0.0019763 k( 497) = ( 0.3333333 0.5773503 0.4380050), wk = 0.0019763 k( 498) = ( 0.3333333 0.5773503 0.4475269), wk = 0.0019763 k( 499) = ( 0.3333333 0.5773503 0.4570487), wk = 0.0019763 k( 500) = ( 0.3333333 0.5773503 0.4665706), wk = 0.0019763 k( 501) = ( 0.3333333 0.5773503 0.4760924), wk = 0.0019763 k( 502) = ( 0.3333333 0.5773503 0.4856142), wk = 0.0019763 k( 503) = ( 0.3333333 0.5773503 0.4951361), wk = 0.0019763 k( 504) = ( 0.3333333 0.5773503 0.5046579), wk = 0.0019763 k( 505) = ( 0.3333333 0.5773503 0.5141798), wk = 0.0019763 k( 506) = ( 0.3333333 0.5773503 0.5237016), wk = 0.0019763 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 2) = ( 0.0081967 0.0000000 0.0000000), wk = 0.0019763 k( 3) = ( 0.0163934 0.0000000 0.0000000), wk = 0.0019763 k( 4) = ( 0.0245902 0.0000000 -0.0000000), wk = 0.0019763 k( 5) = ( 0.0327869 0.0000000 -0.0000000), wk = 0.0019763 k( 6) = ( 0.0409836 0.0000000 0.0000000), wk = 0.0019763 k( 7) = ( 0.0491803 0.0000000 0.0000000), wk = 0.0019763 k( 8) = ( 0.0573770 0.0000000 0.0000000), wk = 0.0019763 k( 9) = ( 0.0655738 0.0000000 -0.0000000), wk = 0.0019763 k( 10) = ( 0.0737705 0.0000000 0.0000000), wk = 0.0019763 k( 11) = ( 0.0819672 0.0000000 0.0000000), wk = 0.0019763 k( 12) = ( 0.0901639 0.0000000 0.0000000), wk = 0.0019763 k( 13) = ( 0.0983607 0.0000000 0.0000000), wk = 0.0019763 k( 14) = ( 0.1065574 0.0000000 0.0000000), wk = 0.0019763 k( 15) = ( 0.1147541 0.0000000 0.0000000), wk = 0.0019763 k( 16) = ( 0.1229508 0.0000000 0.0000000), wk = 0.0019763 k( 17) = ( 0.1311475 0.0000000 -0.0000000), wk = 0.0019763 k( 18) = ( 0.1393443 0.0000000 -0.0000000), wk = 0.0019763 k( 19) = ( 0.1475410 0.0000000 0.0000000), wk = 0.0019763 k( 20) = ( 0.1557377 -0.0000000 0.0000000), wk = 0.0019763 k( 21) = ( 0.1639344 0.0000000 -0.0000000), wk = 0.0019763 k( 22) = ( 0.1721312 -0.0000000 0.0000000), wk = 0.0019763 k( 23) = ( 0.1803279 0.0000000 0.0000000), wk = 0.0019763 k( 24) = ( 0.1885246 -0.0000000 0.0000000), wk = 0.0019763 k( 25) = ( 0.1967213 0.0000000 -0.0000000), wk = 0.0019763 k( 26) = ( 0.2049180 0.0000000 0.0000000), wk = 0.0019763 k( 27) = ( 0.2131147 -0.0000000 0.0000000), wk = 0.0019763 k( 28) = ( 0.2213115 0.0000000 0.0000000), wk = 0.0019763 k( 29) = ( 0.2295082 0.0000000 0.0000000), wk = 0.0019763 k( 30) = ( 0.2377049 -0.0000000 0.0000000), wk = 0.0019763 k( 31) = ( 0.2459016 0.0000000 0.0000000), wk = 0.0019763 k( 32) = ( 0.2540984 0.0000000 0.0000000), wk = 0.0019763 k( 33) = ( 0.2622951 0.0000000 -0.0000000), wk = 0.0019763 k( 34) = ( 0.2704918 0.0000000 0.0000000), wk = 0.0019763 k( 35) = ( 0.2786885 0.0000000 -0.0000000), wk = 0.0019763 k( 36) = ( 0.2868852 -0.0000000 -0.0000000), wk = 0.0019763 k( 37) = ( 0.2950820 -0.0000000 -0.0000000), wk = 0.0019763 k( 38) = ( 0.3032787 0.0000000 0.0000000), wk = 0.0019763 k( 39) = ( 0.3114754 0.0000000 0.0000000), wk = 0.0019763 k( 40) = ( 0.3196721 0.0000000 0.0000000), wk = 0.0019763 k( 41) = ( 0.3278688 0.0000000 0.0000000), wk = 0.0019763 k( 42) = ( 0.3360656 0.0000000 0.0000000), wk = 0.0019763 k( 43) = ( 0.3442623 -0.0000000 0.0000000), wk = 0.0019763 k( 44) = ( 0.3524590 -0.0000000 -0.0000000), wk = 0.0019763 k( 45) = ( 0.3606557 0.0000000 0.0000000), wk = 0.0019763 k( 46) = ( 0.3688525 0.0000000 0.0000000), wk = 0.0019763 k( 47) = ( 0.3770492 -0.0000000 0.0000000), wk = 0.0019763 k( 48) = ( 0.3852459 0.0000000 0.0000000), wk = 0.0019763 k( 49) = ( 0.3934426 0.0000000 -0.0000000), wk = 0.0019763 k( 50) = ( 0.4016393 0.0000000 0.0000000), wk = 0.0019763 k( 51) = ( 0.4098361 -0.0000000 -0.0000000), wk = 0.0019763 k( 52) = ( 0.4180328 0.0000000 0.0000000), wk = 0.0019763 k( 53) = ( 0.4262295 0.0000000 0.0000000), wk = 0.0019763 k( 54) = ( 0.4344262 -0.0000000 0.0000000), wk = 0.0019763 k( 55) = ( 0.4426230 0.0000000 0.0000000), wk = 0.0019763 k( 56) = ( 0.4508197 0.0000000 -0.0000000), wk = 0.0019763 k( 57) = ( 0.4590164 -0.0000000 0.0000000), wk = 0.0019763 k( 58) = ( 0.4672131 0.0000000 -0.0000000), wk = 0.0019763 k( 59) = ( 0.4754098 -0.0000000 0.0000000), wk = 0.0019763 k( 60) = ( 0.4836066 -0.0000000 -0.0000000), wk = 0.0019763 k( 61) = ( 0.4918033 0.0000000 0.0000000), wk = 0.0019763 k( 62) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019763 k( 63) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019763 k( 64) = ( 0.4952381 0.0095238 0.0000000), wk = 0.0019763 k( 65) = ( 0.4904762 0.0190476 -0.0000000), wk = 0.0019763 k( 66) = ( 0.4857143 0.0285714 -0.0000000), wk = 0.0019763 k( 67) = ( 0.4809524 0.0380952 0.0000000), wk = 0.0019763 k( 68) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0019763 k( 69) = ( 0.4714286 0.0571429 -0.0000000), wk = 0.0019763 k( 70) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0019763 k( 71) = ( 0.4619048 0.0761905 -0.0000000), wk = 0.0019763 k( 72) = ( 0.4571429 0.0857143 -0.0000000), wk = 0.0019763 k( 73) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0019763 k( 74) = ( 0.4476191 0.1047619 0.0000000), wk = 0.0019763 k( 75) = ( 0.4428571 0.1142857 0.0000000), wk = 0.0019763 k( 76) = ( 0.4380952 0.1238095 0.0000000), wk = 0.0019763 k( 77) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0019763 k( 78) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0019763 k( 79) = ( 0.4238095 0.1523809 0.0000000), wk = 0.0019763 k( 80) = ( 0.4190476 0.1619048 0.0000000), wk = 0.0019763 k( 81) = ( 0.4142857 0.1714286 0.0000000), wk = 0.0019763 k( 82) = ( 0.4095238 0.1809524 0.0000000), wk = 0.0019763 k( 83) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0019763 k( 84) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0019763 k( 85) = ( 0.3952381 0.2095238 0.0000000), wk = 0.0019763 k( 86) = ( 0.3904762 0.2190476 0.0000000), wk = 0.0019763 k( 87) = ( 0.3857143 0.2285714 0.0000000), wk = 0.0019763 k( 88) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0019763 k( 89) = ( 0.3761905 0.2476191 0.0000000), wk = 0.0019763 k( 90) = ( 0.3714286 0.2571429 -0.0000000), wk = 0.0019763 k( 91) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0019763 k( 92) = ( 0.3619048 0.2761905 0.0000000), wk = 0.0019763 k( 93) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0019763 k( 94) = ( 0.3523810 0.2952381 0.0000000), wk = 0.0019763 k( 95) = ( 0.3476190 0.3047619 0.0000000), wk = 0.0019763 k( 96) = ( 0.3428571 0.3142857 0.0000000), wk = 0.0019763 k( 97) = ( 0.3380952 0.3238095 0.0000000), wk = 0.0019763 k( 98) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019763 k( 99) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019763 k( 100) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0019763 k( 101) = ( 0.3238095 0.3238095 0.0000000), wk = 0.0019763 k( 102) = ( 0.3190476 0.3190476 -0.0000000), wk = 0.0019763 k( 103) = ( 0.3142857 0.3142857 0.0000000), wk = 0.0019763 k( 104) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0019763 k( 105) = ( 0.3047619 0.3047619 -0.0000000), wk = 0.0019763 k( 106) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0019763 k( 107) = ( 0.2952381 0.2952381 0.0000000), wk = 0.0019763 k( 108) = ( 0.2904762 0.2904762 0.0000000), wk = 0.0019763 k( 109) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0019763 k( 110) = ( 0.2809524 0.2809524 0.0000000), wk = 0.0019763 k( 111) = ( 0.2761905 0.2761905 0.0000000), wk = 0.0019763 k( 112) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0019763 k( 113) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0019763 k( 114) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0019763 k( 115) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0019763 k( 116) = ( 0.2523809 0.2523809 0.0000000), wk = 0.0019763 k( 117) = ( 0.2476191 0.2476191 0.0000000), wk = 0.0019763 k( 118) = ( 0.2428571 0.2428571 0.0000000), wk = 0.0019763 k( 119) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0019763 k( 120) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0019763 k( 121) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0019763 k( 122) = ( 0.2238095 0.2238095 0.0000000), wk = 0.0019763 k( 123) = ( 0.2190476 0.2190476 0.0000000), wk = 0.0019763 k( 124) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0019763 k( 125) = ( 0.2095238 0.2095238 0.0000000), wk = 0.0019763 k( 126) = ( 0.2047619 0.2047619 -0.0000000), wk = 0.0019763 k( 127) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0019763 k( 128) = ( 0.1952381 0.1952381 0.0000000), wk = 0.0019763 k( 129) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0019763 k( 130) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0019763 k( 131) = ( 0.1809524 0.1809524 -0.0000000), wk = 0.0019763 k( 132) = ( 0.1761905 0.1761905 -0.0000000), wk = 0.0019763 k( 133) = ( 0.1714286 0.1714286 0.0000000), wk = 0.0019763 k( 134) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0019763 k( 135) = ( 0.1619048 0.1619048 0.0000000), wk = 0.0019763 k( 136) = ( 0.1571429 0.1571429 0.0000000), wk = 0.0019763 k( 137) = ( 0.1523809 0.1523809 -0.0000000), wk = 0.0019763 k( 138) = ( 0.1476191 0.1476191 0.0000000), wk = 0.0019763 k( 139) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0019763 k( 140) = ( 0.1380952 0.1380952 0.0000000), wk = 0.0019763 k( 141) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0019763 k( 142) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0019763 k( 143) = ( 0.1238095 0.1238095 -0.0000000), wk = 0.0019763 k( 144) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0019763 k( 145) = ( 0.1142857 0.1142857 0.0000000), wk = 0.0019763 k( 146) = ( 0.1095238 0.1095238 0.0000000), wk = 0.0019763 k( 147) = ( 0.1047619 0.1047619 0.0000000), wk = 0.0019763 k( 148) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0019763 k( 149) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0019763 k( 150) = ( 0.0904762 0.0904762 -0.0000000), wk = 0.0019763 k( 151) = ( 0.0857143 0.0857143 0.0000000), wk = 0.0019763 k( 152) = ( 0.0809524 0.0809524 0.0000000), wk = 0.0019763 k( 153) = ( 0.0761905 0.0761905 0.0000000), wk = 0.0019763 k( 154) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0019763 k( 155) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0019763 k( 156) = ( 0.0619048 0.0619048 -0.0000000), wk = 0.0019763 k( 157) = ( 0.0571429 0.0571429 0.0000000), wk = 0.0019763 k( 158) = ( 0.0523810 0.0523810 0.0000000), wk = 0.0019763 k( 159) = ( 0.0476191 0.0476190 0.0000000), wk = 0.0019763 k( 160) = ( 0.0428571 0.0428571 0.0000000), wk = 0.0019763 k( 161) = ( 0.0380952 0.0380952 0.0000000), wk = 0.0019763 k( 162) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0019763 k( 163) = ( 0.0285714 0.0285714 0.0000000), wk = 0.0019763 k( 164) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0019763 k( 165) = ( 0.0190476 0.0190476 0.0000000), wk = 0.0019763 k( 166) = ( 0.0142857 0.0142857 0.0000000), wk = 0.0019763 k( 167) = ( 0.0095238 0.0095238 0.0000000), wk = 0.0019763 k( 168) = ( 0.0047619 0.0047619 -0.0000000), wk = 0.0019763 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 171) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0019763 k( 172) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0019763 k( 173) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0019763 k( 174) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0019763 k( 175) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0019763 k( 176) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0019763 k( 177) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0019763 k( 178) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0019763 k( 179) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0019763 k( 180) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0019763 k( 181) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0019763 k( 182) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0019763 k( 183) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0019763 k( 184) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0019763 k( 185) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0019763 k( 186) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0019763 k( 187) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0019763 k( 188) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0019763 k( 189) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0019763 k( 190) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0019763 k( 191) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0019763 k( 192) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0019763 k( 193) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0019763 k( 194) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0019763 k( 195) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0019763 k( 196) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0019763 k( 197) = ( 0.0000000 0.0000000 0.2454545), wk = 0.0019763 k( 198) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0019763 k( 199) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0019763 k( 200) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0019763 k( 201) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0019763 k( 202) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0019763 k( 203) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0019763 k( 204) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0019763 k( 205) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0019763 k( 206) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0019763 k( 207) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0019763 k( 208) = ( 0.0000000 0.0000000 0.3454545), wk = 0.0019763 k( 209) = ( 0.0000000 0.0000000 0.3545454), wk = 0.0019763 k( 210) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0019763 k( 211) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0019763 k( 212) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0019763 k( 213) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0019763 k( 214) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0019763 k( 215) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0019763 k( 216) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0019763 k( 217) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0019763 k( 218) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0019763 k( 219) = ( 0.0000000 0.0000000 0.4454545), wk = 0.0019763 k( 220) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0019763 k( 221) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0019763 k( 222) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0019763 k( 223) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0019763 k( 224) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0019763 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019763 k( 226) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019763 k( 227) = ( 0.0081967 0.0000000 0.5000000), wk = 0.0019763 k( 228) = ( 0.0163934 0.0000000 0.5000000), wk = 0.0019763 k( 229) = ( 0.0245902 0.0000000 0.5000000), wk = 0.0019763 k( 230) = ( 0.0327869 0.0000000 0.5000000), wk = 0.0019763 k( 231) = ( 0.0409836 0.0000000 0.5000000), wk = 0.0019763 k( 232) = ( 0.0491803 0.0000000 0.5000000), wk = 0.0019763 k( 233) = ( 0.0573770 0.0000000 0.5000000), wk = 0.0019763 k( 234) = ( 0.0655738 0.0000000 0.5000000), wk = 0.0019763 k( 235) = ( 0.0737705 0.0000000 0.5000000), wk = 0.0019763 k( 236) = ( 0.0819672 0.0000000 0.5000000), wk = 0.0019763 k( 237) = ( 0.0901639 0.0000000 0.5000000), wk = 0.0019763 k( 238) = ( 0.0983607 0.0000000 0.5000000), wk = 0.0019763 k( 239) = ( 0.1065574 0.0000000 0.5000000), wk = 0.0019763 k( 240) = ( 0.1147541 0.0000000 0.5000000), wk = 0.0019763 k( 241) = ( 0.1229508 0.0000000 0.5000000), wk = 0.0019763 k( 242) = ( 0.1311475 0.0000000 0.5000000), wk = 0.0019763 k( 243) = ( 0.1393443 0.0000000 0.5000000), wk = 0.0019763 k( 244) = ( 0.1475410 0.0000000 0.5000000), wk = 0.0019763 k( 245) = ( 0.1557377 -0.0000000 0.5000000), wk = 0.0019763 k( 246) = ( 0.1639344 0.0000000 0.5000000), wk = 0.0019763 k( 247) = ( 0.1721312 -0.0000000 0.5000000), wk = 0.0019763 k( 248) = ( 0.1803279 0.0000000 0.5000000), wk = 0.0019763 k( 249) = ( 0.1885246 -0.0000000 0.5000000), wk = 0.0019763 k( 250) = ( 0.1967213 0.0000000 0.5000000), wk = 0.0019763 k( 251) = ( 0.2049180 0.0000000 0.5000000), wk = 0.0019763 k( 252) = ( 0.2131147 -0.0000000 0.5000000), wk = 0.0019763 k( 253) = ( 0.2213115 0.0000000 0.5000000), wk = 0.0019763 k( 254) = ( 0.2295082 0.0000000 0.5000000), wk = 0.0019763 k( 255) = ( 0.2377049 -0.0000000 0.5000000), wk = 0.0019763 k( 256) = ( 0.2459016 0.0000000 0.5000000), wk = 0.0019763 k( 257) = ( 0.2540984 0.0000000 0.5000000), wk = 0.0019763 k( 258) = ( 0.2622951 0.0000000 0.5000000), wk = 0.0019763 k( 259) = ( 0.2704918 0.0000000 0.5000000), wk = 0.0019763 k( 260) = ( 0.2786885 0.0000000 0.5000000), wk = 0.0019763 k( 261) = ( 0.2868852 -0.0000000 0.5000000), wk = 0.0019763 k( 262) = ( 0.2950820 -0.0000000 0.5000000), wk = 0.0019763 k( 263) = ( 0.3032787 0.0000000 0.5000000), wk = 0.0019763 k( 264) = ( 0.3114754 0.0000000 0.5000000), wk = 0.0019763 k( 265) = ( 0.3196721 0.0000000 0.5000000), wk = 0.0019763 k( 266) = ( 0.3278688 0.0000000 0.5000000), wk = 0.0019763 k( 267) = ( 0.3360656 0.0000000 0.5000000), wk = 0.0019763 k( 268) = ( 0.3442623 -0.0000000 0.5000000), wk = 0.0019763 k( 269) = ( 0.3524590 -0.0000000 0.5000000), wk = 0.0019763 k( 270) = ( 0.3606557 0.0000000 0.5000000), wk = 0.0019763 k( 271) = ( 0.3688525 0.0000000 0.5000000), wk = 0.0019763 k( 272) = ( 0.3770492 -0.0000000 0.5000000), wk = 0.0019763 k( 273) = ( 0.3852459 0.0000000 0.5000000), wk = 0.0019763 k( 274) = ( 0.3934426 0.0000000 0.5000000), wk = 0.0019763 k( 275) = ( 0.4016393 0.0000000 0.5000000), wk = 0.0019763 k( 276) = ( 0.4098361 -0.0000000 0.5000000), wk = 0.0019763 k( 277) = ( 0.4180328 0.0000000 0.5000000), wk = 0.0019763 k( 278) = ( 0.4262295 0.0000000 0.5000000), wk = 0.0019763 k( 279) = ( 0.4344262 -0.0000000 0.5000000), wk = 0.0019763 k( 280) = ( 0.4426230 0.0000000 0.5000000), wk = 0.0019763 k( 281) = ( 0.4508197 0.0000000 0.5000000), wk = 0.0019763 k( 282) = ( 0.4590164 -0.0000000 0.5000000), wk = 0.0019763 k( 283) = ( 0.4672131 0.0000000 0.5000000), wk = 0.0019763 k( 284) = ( 0.4754098 -0.0000000 0.5000000), wk = 0.0019763 k( 285) = ( 0.4836066 -0.0000000 0.5000000), wk = 0.0019763 k( 286) = ( 0.4918033 0.0000000 0.5000000), wk = 0.0019763 k( 287) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019763 k( 288) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019763 k( 289) = ( 0.4952381 0.0095238 0.5000000), wk = 0.0019763 k( 290) = ( 0.4904762 0.0190476 0.5000000), wk = 0.0019763 k( 291) = ( 0.4857143 0.0285714 0.5000000), wk = 0.0019763 k( 292) = ( 0.4809524 0.0380952 0.5000000), wk = 0.0019763 k( 293) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0019763 k( 294) = ( 0.4714286 0.0571429 0.5000000), wk = 0.0019763 k( 295) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0019763 k( 296) = ( 0.4619048 0.0761905 0.5000000), wk = 0.0019763 k( 297) = ( 0.4571429 0.0857143 0.5000000), wk = 0.0019763 k( 298) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0019763 k( 299) = ( 0.4476191 0.1047619 0.5000000), wk = 0.0019763 k( 300) = ( 0.4428571 0.1142857 0.5000000), wk = 0.0019763 k( 301) = ( 0.4380952 0.1238095 0.5000000), wk = 0.0019763 k( 302) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0019763 k( 303) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0019763 k( 304) = ( 0.4238095 0.1523809 0.5000000), wk = 0.0019763 k( 305) = ( 0.4190476 0.1619048 0.5000000), wk = 0.0019763 k( 306) = ( 0.4142857 0.1714286 0.5000000), wk = 0.0019763 k( 307) = ( 0.4095238 0.1809524 0.5000000), wk = 0.0019763 k( 308) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0019763 k( 309) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0019763 k( 310) = ( 0.3952381 0.2095238 0.5000000), wk = 0.0019763 k( 311) = ( 0.3904762 0.2190476 0.5000000), wk = 0.0019763 k( 312) = ( 0.3857143 0.2285714 0.5000000), wk = 0.0019763 k( 313) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0019763 k( 314) = ( 0.3761905 0.2476191 0.5000000), wk = 0.0019763 k( 315) = ( 0.3714286 0.2571429 0.5000000), wk = 0.0019763 k( 316) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0019763 k( 317) = ( 0.3619048 0.2761905 0.5000000), wk = 0.0019763 k( 318) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0019763 k( 319) = ( 0.3523810 0.2952381 0.5000000), wk = 0.0019763 k( 320) = ( 0.3476190 0.3047619 0.5000000), wk = 0.0019763 k( 321) = ( 0.3428571 0.3142857 0.5000000), wk = 0.0019763 k( 322) = ( 0.3380952 0.3238095 0.5000000), wk = 0.0019763 k( 323) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019763 k( 324) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019763 k( 325) = ( 0.3285714 0.3285714 0.5000000), wk = 0.0019763 k( 326) = ( 0.3238095 0.3238095 0.5000000), wk = 0.0019763 k( 327) = ( 0.3190476 0.3190476 0.5000000), wk = 0.0019763 k( 328) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0019763 k( 329) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0019763 k( 330) = ( 0.3047619 0.3047619 0.5000000), wk = 0.0019763 k( 331) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0019763 k( 332) = ( 0.2952381 0.2952381 0.5000000), wk = 0.0019763 k( 333) = ( 0.2904762 0.2904762 0.5000000), wk = 0.0019763 k( 334) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0019763 k( 335) = ( 0.2809524 0.2809524 0.5000000), wk = 0.0019763 k( 336) = ( 0.2761905 0.2761905 0.5000000), wk = 0.0019763 k( 337) = ( 0.2714286 0.2714286 0.5000000), wk = 0.0019763 k( 338) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0019763 k( 339) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0019763 k( 340) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0019763 k( 341) = ( 0.2523809 0.2523809 0.5000000), wk = 0.0019763 k( 342) = ( 0.2476191 0.2476191 0.5000000), wk = 0.0019763 k( 343) = ( 0.2428571 0.2428571 0.5000000), wk = 0.0019763 k( 344) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0019763 k( 345) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0019763 k( 346) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0019763 k( 347) = ( 0.2238095 0.2238095 0.5000000), wk = 0.0019763 k( 348) = ( 0.2190476 0.2190476 0.5000000), wk = 0.0019763 k( 349) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0019763 k( 350) = ( 0.2095238 0.2095238 0.5000000), wk = 0.0019763 k( 351) = ( 0.2047619 0.2047619 0.5000000), wk = 0.0019763 k( 352) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0019763 k( 353) = ( 0.1952381 0.1952381 0.5000000), wk = 0.0019763 k( 354) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0019763 k( 355) = ( 0.1857143 0.1857143 0.5000000), wk = 0.0019763 k( 356) = ( 0.1809524 0.1809524 0.5000000), wk = 0.0019763 k( 357) = ( 0.1761905 0.1761905 0.5000000), wk = 0.0019763 k( 358) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0019763 k( 359) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0019763 k( 360) = ( 0.1619048 0.1619048 0.5000000), wk = 0.0019763 k( 361) = ( 0.1571429 0.1571429 0.5000000), wk = 0.0019763 k( 362) = ( 0.1523809 0.1523809 0.5000000), wk = 0.0019763 k( 363) = ( 0.1476191 0.1476191 0.5000000), wk = 0.0019763 k( 364) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0019763 k( 365) = ( 0.1380952 0.1380952 0.5000000), wk = 0.0019763 k( 366) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0019763 k( 367) = ( 0.1285714 0.1285714 0.5000000), wk = 0.0019763 k( 368) = ( 0.1238095 0.1238095 0.5000000), wk = 0.0019763 k( 369) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0019763 k( 370) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0019763 k( 371) = ( 0.1095238 0.1095238 0.5000000), wk = 0.0019763 k( 372) = ( 0.1047619 0.1047619 0.5000000), wk = 0.0019763 k( 373) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0019763 k( 374) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0019763 k( 375) = ( 0.0904762 0.0904762 0.5000000), wk = 0.0019763 k( 376) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0019763 k( 377) = ( 0.0809524 0.0809524 0.5000000), wk = 0.0019763 k( 378) = ( 0.0761905 0.0761905 0.5000000), wk = 0.0019763 k( 379) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0019763 k( 380) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0019763 k( 381) = ( 0.0619048 0.0619048 0.5000000), wk = 0.0019763 k( 382) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0019763 k( 383) = ( 0.0523810 0.0523810 0.5000000), wk = 0.0019763 k( 384) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0019763 k( 385) = ( 0.0428571 0.0428571 0.5000000), wk = 0.0019763 k( 386) = ( 0.0380952 0.0380952 0.5000000), wk = 0.0019763 k( 387) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0019763 k( 388) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0019763 k( 389) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0019763 k( 390) = ( 0.0190476 0.0190476 0.5000000), wk = 0.0019763 k( 391) = ( 0.0142857 0.0142857 0.5000000), wk = 0.0019763 k( 392) = ( 0.0095238 0.0095238 0.5000000), wk = 0.0019763 k( 393) = ( 0.0047619 0.0047619 0.5000000), wk = 0.0019763 k( 394) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019763 k( 395) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019763 k( 396) = ( 0.5000000 0.0000000 0.4909091), wk = 0.0019763 k( 397) = ( 0.5000000 0.0000000 0.4818182), wk = 0.0019763 k( 398) = ( 0.5000000 0.0000000 0.4727273), wk = 0.0019763 k( 399) = ( 0.5000000 0.0000000 0.4636364), wk = 0.0019763 k( 400) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0019763 k( 401) = ( 0.5000000 0.0000000 0.4454545), wk = 0.0019763 k( 402) = ( 0.5000000 0.0000000 0.4363636), wk = 0.0019763 k( 403) = ( 0.5000000 0.0000000 0.4272727), wk = 0.0019763 k( 404) = ( 0.5000000 0.0000000 0.4181818), wk = 0.0019763 k( 405) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0019763 k( 406) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0019763 k( 407) = ( 0.5000000 0.0000000 0.3909091), wk = 0.0019763 k( 408) = ( 0.5000000 0.0000000 0.3818182), wk = 0.0019763 k( 409) = ( 0.5000000 0.0000000 0.3727273), wk = 0.0019763 k( 410) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0019763 k( 411) = ( 0.5000000 0.0000000 0.3545454), wk = 0.0019763 k( 412) = ( 0.5000000 0.0000000 0.3454546), wk = 0.0019763 k( 413) = ( 0.5000000 0.0000000 0.3363636), wk = 0.0019763 k( 414) = ( 0.5000000 0.0000000 0.3272727), wk = 0.0019763 k( 415) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0019763 k( 416) = ( 0.5000000 0.0000000 0.3090909), wk = 0.0019763 k( 417) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0019763 k( 418) = ( 0.5000000 0.0000000 0.2909091), wk = 0.0019763 k( 419) = ( 0.5000000 0.0000000 0.2818182), wk = 0.0019763 k( 420) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0019763 k( 421) = ( 0.5000000 0.0000000 0.2636364), wk = 0.0019763 k( 422) = ( 0.5000000 0.0000000 0.2545455), wk = 0.0019763 k( 423) = ( 0.5000000 0.0000000 0.2454545), wk = 0.0019763 k( 424) = ( 0.5000000 0.0000000 0.2363636), wk = 0.0019763 k( 425) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0019763 k( 426) = ( 0.5000000 0.0000000 0.2181818), wk = 0.0019763 k( 427) = ( 0.5000000 0.0000000 0.2090909), wk = 0.0019763 k( 428) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0019763 k( 429) = ( 0.5000000 0.0000000 0.1909091), wk = 0.0019763 k( 430) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0019763 k( 431) = ( 0.5000000 0.0000000 0.1727273), wk = 0.0019763 k( 432) = ( 0.5000000 0.0000000 0.1636364), wk = 0.0019763 k( 433) = ( 0.5000000 0.0000000 0.1545454), wk = 0.0019763 k( 434) = ( 0.5000000 0.0000000 0.1454545), wk = 0.0019763 k( 435) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0019763 k( 436) = ( 0.5000000 0.0000000 0.1272727), wk = 0.0019763 k( 437) = ( 0.5000000 0.0000000 0.1181818), wk = 0.0019763 k( 438) = ( 0.5000000 0.0000000 0.1090909), wk = 0.0019763 k( 439) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0019763 k( 440) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0019763 k( 441) = ( 0.5000000 0.0000000 0.0818182), wk = 0.0019763 k( 442) = ( 0.5000000 0.0000000 0.0727273), wk = 0.0019763 k( 443) = ( 0.5000000 0.0000000 0.0636364), wk = 0.0019763 k( 444) = ( 0.5000000 0.0000000 0.0545455), wk = 0.0019763 k( 445) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0019763 k( 446) = ( 0.5000000 0.0000000 0.0363636), wk = 0.0019763 k( 447) = ( 0.5000000 0.0000000 0.0272727), wk = 0.0019763 k( 448) = ( 0.5000000 0.0000000 0.0181818), wk = 0.0019763 k( 449) = ( 0.5000000 0.0000000 0.0090909), wk = 0.0019763 k( 450) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019763 k( 451) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019763 k( 452) = ( 0.3333333 0.3333333 0.0090909), wk = 0.0019763 k( 453) = ( 0.3333333 0.3333333 0.0181818), wk = 0.0019763 k( 454) = ( 0.3333333 0.3333333 0.0272727), wk = 0.0019763 k( 455) = ( 0.3333333 0.3333333 0.0363636), wk = 0.0019763 k( 456) = ( 0.3333333 0.3333333 0.0454545), wk = 0.0019763 k( 457) = ( 0.3333333 0.3333333 0.0545454), wk = 0.0019763 k( 458) = ( 0.3333333 0.3333333 0.0636364), wk = 0.0019763 k( 459) = ( 0.3333333 0.3333333 0.0727273), wk = 0.0019763 k( 460) = ( 0.3333333 0.3333333 0.0818182), wk = 0.0019763 k( 461) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0019763 k( 462) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0019763 k( 463) = ( 0.3333333 0.3333333 0.1090909), wk = 0.0019763 k( 464) = ( 0.3333333 0.3333333 0.1181818), wk = 0.0019763 k( 465) = ( 0.3333333 0.3333333 0.1272727), wk = 0.0019763 k( 466) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0019763 k( 467) = ( 0.3333333 0.3333333 0.1454545), wk = 0.0019763 k( 468) = ( 0.3333333 0.3333333 0.1545455), wk = 0.0019763 k( 469) = ( 0.3333333 0.3333333 0.1636364), wk = 0.0019763 k( 470) = ( 0.3333333 0.3333333 0.1727273), wk = 0.0019763 k( 471) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0019763 k( 472) = ( 0.3333333 0.3333333 0.1909091), wk = 0.0019763 k( 473) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0019763 k( 474) = ( 0.3333333 0.3333333 0.2090909), wk = 0.0019763 k( 475) = ( 0.3333333 0.3333333 0.2181818), wk = 0.0019763 k( 476) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0019763 k( 477) = ( 0.3333333 0.3333333 0.2363636), wk = 0.0019763 k( 478) = ( 0.3333333 0.3333333 0.2454545), wk = 0.0019763 k( 479) = ( 0.3333333 0.3333333 0.2545455), wk = 0.0019763 k( 480) = ( 0.3333333 0.3333333 0.2636364), wk = 0.0019763 k( 481) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0019763 k( 482) = ( 0.3333333 0.3333333 0.2818182), wk = 0.0019763 k( 483) = ( 0.3333333 0.3333333 0.2909091), wk = 0.0019763 k( 484) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0019763 k( 485) = ( 0.3333333 0.3333333 0.3090909), wk = 0.0019763 k( 486) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0019763 k( 487) = ( 0.3333333 0.3333333 0.3272727), wk = 0.0019763 k( 488) = ( 0.3333333 0.3333333 0.3363636), wk = 0.0019763 k( 489) = ( 0.3333333 0.3333333 0.3454546), wk = 0.0019763 k( 490) = ( 0.3333333 0.3333333 0.3545454), wk = 0.0019763 k( 491) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0019763 k( 492) = ( 0.3333333 0.3333333 0.3727273), wk = 0.0019763 k( 493) = ( 0.3333333 0.3333333 0.3818182), wk = 0.0019763 k( 494) = ( 0.3333333 0.3333333 0.3909091), wk = 0.0019763 k( 495) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0019763 k( 496) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0019763 k( 497) = ( 0.3333333 0.3333333 0.4181818), wk = 0.0019763 k( 498) = ( 0.3333333 0.3333333 0.4272727), wk = 0.0019763 k( 499) = ( 0.3333333 0.3333333 0.4363636), wk = 0.0019763 k( 500) = ( 0.3333333 0.3333333 0.4454545), wk = 0.0019763 k( 501) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0019763 k( 502) = ( 0.3333333 0.3333333 0.4636364), wk = 0.0019763 k( 503) = ( 0.3333333 0.3333333 0.4727273), wk = 0.0019763 k( 504) = ( 0.3333333 0.3333333 0.4818182), wk = 0.0019763 k( 505) = ( 0.3333333 0.3333333 0.4909091), wk = 0.0019763 k( 506) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019763 Dense grid: 22961 G-vectors FFT dimensions: ( 40, 40, 36) Smooth grid: 5345 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 32, 22) NL pseudopotentials 0.01 Mb ( 16, 48) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 482) G-vector shells 0.00 Mb ( 233) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.04 Mb ( 32, 88) Each subspace H/S matrix 0.12 Mb ( 88, 88) Each matrix 0.03 Mb ( 48, 2, 22) The potential is recalculated from file : ./PtC.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.9 secs Computing kpt #: 2 total cpu time spent up to now is 42.2 secs Computing kpt #: 3 total cpu time spent up to now is 42.5 secs Computing kpt #: 4 total cpu time spent up to now is 42.8 secs Computing kpt #: 5 total cpu time spent up to now is 43.1 secs Computing kpt #: 6 total cpu time spent up to now is 43.4 secs Computing kpt #: 7 total cpu time spent up to now is 43.6 secs Computing kpt #: 8 total cpu time spent up to now is 43.9 secs Computing kpt #: 9 total cpu time spent up to now is 44.2 secs Computing kpt #: 10 total cpu time spent up to now is 44.4 secs Computing kpt #: 11 total cpu time spent up to now is 44.7 secs Computing kpt #: 12 total cpu time spent up to now is 45.0 secs Computing kpt #: 13 total cpu time spent up to now is 45.3 secs Computing kpt #: 14 total cpu time spent up to now is 45.5 secs Computing kpt #: 15 total cpu time spent up to now is 45.8 secs Computing kpt #: 16 total cpu time spent up to now is 46.0 secs Computing kpt #: 17 total cpu time spent up to now is 46.3 secs Computing kpt #: 18 total cpu time spent up to now is 46.5 secs Computing kpt #: 19 total cpu time spent up to now is 46.7 secs Computing kpt #: 20 total cpu time spent up to now is 47.0 secs Computing kpt #: 21 total cpu time spent up to now is 47.2 secs Computing kpt #: 22 total cpu time spent up to now is 47.4 secs Computing kpt #: 23 total cpu time spent up to now is 47.7 secs Computing kpt #: 24 total cpu time spent up to now is 47.9 secs Computing kpt #: 25 total cpu time spent up to now is 48.2 secs Computing kpt #: 26 total cpu time spent up to now is 48.4 secs Computing kpt #: 27 total cpu time spent up to now is 48.6 secs Computing kpt #: 28 total cpu time spent up to now is 48.8 secs Computing kpt #: 29 total cpu time spent up to now is 49.1 secs Computing kpt #: 30 total cpu time spent up to now is 49.3 secs Computing kpt #: 31 total cpu time spent up to now is 49.5 secs Computing kpt #: 32 total cpu time spent up to now is 49.8 secs Computing kpt #: 33 total cpu time spent up to now is 50.0 secs Computing kpt #: 34 total cpu time spent up to now is 50.3 secs Computing kpt #: 35 total cpu time spent up to now is 50.5 secs Computing kpt #: 36 total cpu time spent up to now is 50.7 secs Computing kpt #: 37 total cpu time spent up to now is 50.9 secs Computing kpt #: 38 total cpu time spent up to now is 51.2 secs Computing kpt #: 39 total cpu time spent up to now is 51.4 secs Computing kpt #: 40 total cpu time spent up to now is 51.6 secs Computing kpt #: 41 total cpu time spent up to now is 51.9 secs Computing kpt #: 42 total cpu time spent up to now is 52.1 secs Computing kpt #: 43 total cpu time spent up to now is 52.3 secs Computing kpt #: 44 total cpu time spent up to now is 52.5 secs Computing kpt #: 45 total cpu time spent up to now is 52.7 secs Computing kpt #: 46 total cpu time spent up to now is 52.9 secs Computing kpt #: 47 total cpu time spent up to now is 53.3 secs Computing kpt #: 48 total cpu time spent up to now is 53.5 secs Computing kpt #: 49 total cpu time spent up to now is 53.8 secs Computing kpt #: 50 total cpu time spent up to now is 54.2 secs Computing kpt #: 51 total cpu time spent up to now is 54.4 secs Computing kpt #: 52 total cpu time spent up to now is 54.6 secs Computing kpt #: 53 total cpu time spent up to now is 54.9 secs Computing kpt #: 54 total cpu time spent up to now is 55.2 secs Computing kpt #: 55 total cpu time spent up to now is 55.4 secs Computing kpt #: 56 total cpu time spent up to now is 55.6 secs Computing kpt #: 57 total cpu time spent up to now is 55.9 secs Computing kpt #: 58 total cpu time spent up to now is 56.1 secs Computing kpt #: 59 total cpu time spent up to now is 56.3 secs Computing kpt #: 60 total cpu time spent up to now is 56.5 secs Computing kpt #: 61 total cpu time spent up to now is 56.8 secs Computing kpt #: 62 total cpu time spent up to now is 57.0 secs Computing kpt #: 63 total cpu time spent up to now is 57.2 secs Computing kpt #: 64 total cpu time spent up to now is 57.5 secs Computing kpt #: 65 total cpu time spent up to now is 57.7 secs Computing kpt #: 66 total cpu time spent up to now is 57.9 secs Computing kpt #: 67 total cpu time spent up to now is 58.2 secs Computing kpt #: 68 total cpu time spent up to now is 58.5 secs Computing kpt #: 69 total cpu time spent up to now is 58.7 secs Computing kpt #: 70 total cpu time spent up to now is 59.0 secs Computing kpt #: 71 total cpu time spent up to now is 59.2 secs Computing kpt #: 72 total cpu time spent up to now is 59.4 secs Computing kpt #: 73 total cpu time spent up to now is 59.6 secs Computing kpt #: 74 total cpu time spent up to now is 59.9 secs Computing kpt #: 75 total cpu time spent up to now is 60.1 secs Computing kpt #: 76 total cpu time spent up to now is 60.3 secs Computing kpt #: 77 total cpu time spent up to now is 60.6 secs Computing kpt #: 78 total cpu time spent up to now is 60.8 secs Computing kpt #: 79 total cpu time spent up to now is 61.0 secs Computing kpt #: 80 total cpu time spent up to now is 61.3 secs Computing kpt #: 81 total cpu time spent up to now is 61.5 secs Computing kpt #: 82 total cpu time spent up to now is 61.7 secs Computing kpt #: 83 total cpu time spent up to now is 61.9 secs Computing kpt #: 84 total cpu time spent up to now is 62.2 secs Computing kpt #: 85 total cpu time spent up to now is 62.4 secs Computing kpt #: 86 total cpu time spent up to now is 62.6 secs Computing kpt #: 87 total cpu time spent up to now is 62.9 secs Computing kpt #: 88 total cpu time spent up to now is 63.1 secs Computing kpt #: 89 total cpu time spent up to now is 63.3 secs Computing kpt #: 90 total cpu time spent up to now is 63.6 secs Computing kpt #: 91 total cpu time spent up to now is 63.8 secs Computing kpt #: 92 total cpu time spent up to now is 64.0 secs Computing kpt #: 93 total cpu time spent up to now is 64.3 secs Computing kpt #: 94 total cpu time spent up to now is 64.6 secs Computing kpt #: 95 total cpu time spent up to now is 65.0 secs Computing kpt #: 96 total cpu time spent up to now is 65.3 secs Computing kpt #: 97 total cpu time spent up to now is 65.6 secs Computing kpt #: 98 total cpu time spent up to now is 66.0 secs Computing kpt #: 99 total cpu time spent up to now is 66.3 secs Computing kpt #: 100 total cpu time spent up to now is 66.6 secs Computing kpt #: 101 total cpu time spent up to now is 66.9 secs Computing kpt #: 102 total cpu time spent up to now is 67.1 secs Computing kpt #: 103 total cpu time spent up to now is 67.4 secs Computing kpt #: 104 total cpu time spent up to now is 67.7 secs Computing kpt #: 105 total cpu time spent up to now is 67.9 secs Computing kpt #: 106 total cpu time spent up to now is 68.2 secs Computing kpt #: 107 total cpu time spent up to now is 68.6 secs Computing kpt #: 108 total cpu time spent up to now is 68.9 secs Computing kpt #: 109 total cpu time spent up to now is 69.1 secs Computing kpt #: 110 total cpu time spent up to now is 69.5 secs Computing kpt #: 111 total cpu time spent up to now is 69.8 secs Computing kpt #: 112 total cpu time spent up to now is 70.1 secs Computing kpt #: 113 total cpu time spent up to now is 70.5 secs Computing kpt #: 114 total cpu time spent up to now is 70.7 secs Computing kpt #: 115 total cpu time spent up to now is 71.1 secs Computing kpt #: 116 total cpu time spent up to now is 71.4 secs Computing kpt #: 117 total cpu time spent up to now is 71.8 secs Computing kpt #: 118 total cpu time spent up to now is 72.1 secs Computing kpt #: 119 total cpu time spent up to now is 72.4 secs Computing kpt #: 120 total cpu time spent up to now is 72.6 secs Computing kpt #: 121 total cpu time spent up to now is 72.9 secs Computing kpt #: 122 total cpu time spent up to now is 73.1 secs Computing kpt #: 123 total cpu time spent up to now is 73.4 secs Computing kpt #: 124 total cpu time spent up to now is 73.6 secs Computing kpt #: 125 total cpu time spent up to now is 73.9 secs Computing kpt #: 126 total cpu time spent up to now is 74.1 secs Computing kpt #: 127 total cpu time spent up to now is 74.4 secs Computing kpt #: 128 total cpu time spent up to now is 74.6 secs Computing kpt #: 129 total cpu time spent up to now is 74.9 secs Computing kpt #: 130 total cpu time spent up to now is 75.1 secs Computing kpt #: 131 total cpu time spent up to now is 75.4 secs Computing kpt #: 132 total cpu time spent up to now is 75.6 secs Computing kpt #: 133 total cpu time spent up to now is 76.0 secs Computing kpt #: 134 total cpu time spent up to now is 76.3 secs Computing kpt #: 135 total cpu time spent up to now is 76.6 secs Computing kpt #: 136 total cpu time spent up to now is 77.0 secs Computing kpt #: 137 total cpu time spent up to now is 77.3 secs Computing kpt #: 138 total cpu time spent up to now is 77.6 secs Computing kpt #: 139 total cpu time spent up to now is 77.8 secs Computing kpt #: 140 total cpu time spent up to now is 78.3 secs Computing kpt #: 141 total cpu time spent up to now is 78.7 secs Computing kpt #: 142 total cpu time spent up to now is 78.9 secs Computing kpt #: 143 total cpu time spent up to now is 79.3 secs Computing kpt #: 144 total cpu time spent up to now is 79.7 secs Computing kpt #: 145 total cpu time spent up to now is 80.0 secs Computing kpt #: 146 total cpu time spent up to now is 80.3 secs Computing kpt #: 147 total cpu time spent up to now is 80.7 secs Computing kpt #: 148 total cpu time spent up to now is 81.0 secs Computing kpt #: 149 total cpu time spent up to now is 81.4 secs Computing kpt #: 150 total cpu time spent up to now is 81.7 secs Computing kpt #: 151 total cpu time spent up to now is 82.2 secs Computing kpt #: 152 total cpu time spent up to now is 82.5 secs Computing kpt #: 153 total cpu time spent up to now is 82.9 secs Computing kpt #: 154 total cpu time spent up to now is 83.2 secs Computing kpt #: 155 total cpu time spent up to now is 83.5 secs Computing kpt #: 156 total cpu time spent up to now is 83.8 secs Computing kpt #: 157 total cpu time spent up to now is 84.2 secs Computing kpt #: 158 total cpu time spent up to now is 84.4 secs Computing kpt #: 159 total cpu time spent up to now is 84.7 secs Computing kpt #: 160 total cpu time spent up to now is 85.0 secs Computing kpt #: 161 total cpu time spent up to now is 85.2 secs Computing kpt #: 162 total cpu time spent up to now is 85.5 secs Computing kpt #: 163 total cpu time spent up to now is 85.8 secs Computing kpt #: 164 total cpu time spent up to now is 86.1 secs Computing kpt #: 165 total cpu time spent up to now is 86.3 secs Computing kpt #: 166 total cpu time spent up to now is 86.6 secs Computing kpt #: 167 total cpu time spent up to now is 86.9 secs Computing kpt #: 168 total cpu time spent up to now is 87.2 secs Computing kpt #: 169 total cpu time spent up to now is 87.5 secs Computing kpt #: 170 total cpu time spent up to now is 88.0 secs Computing kpt #: 171 total cpu time spent up to now is 88.5 secs Computing kpt #: 172 total cpu time spent up to now is 89.0 secs Computing kpt #: 173 total cpu time spent up to now is 89.4 secs Computing kpt #: 174 total cpu time spent up to now is 89.7 secs Computing kpt #: 175 total cpu time spent up to now is 90.1 secs Computing kpt #: 176 total cpu time spent up to now is 90.5 secs Computing kpt #: 177 total cpu time spent up to now is 91.0 secs Computing kpt #: 178 total cpu time spent up to now is 91.4 secs Computing kpt #: 179 total cpu time spent up to now is 91.8 secs Computing kpt #: 180 total cpu time spent up to now is 92.1 secs Computing kpt #: 181 total cpu time spent up to now is 92.5 secs Computing kpt #: 182 total cpu time spent up to now is 92.8 secs Computing kpt #: 183 total cpu time spent up to now is 93.2 secs Computing kpt #: 184 total cpu time spent up to now is 93.5 secs Computing kpt #: 185 total cpu time spent up to now is 93.9 secs Computing kpt #: 186 total cpu time spent up to now is 94.3 secs Computing kpt #: 187 total cpu time spent up to now is 94.6 secs Computing kpt #: 188 total cpu time spent up to now is 95.0 secs Computing kpt #: 189 total cpu time spent up to now is 95.4 secs Computing kpt #: 190 total cpu time spent up to now is 95.8 secs Computing kpt #: 191 total cpu time spent up to now is 96.1 secs Computing kpt #: 192 total cpu time spent up to now is 96.5 secs Computing kpt #: 193 total cpu time spent up to now is 96.9 secs Computing kpt #: 194 total cpu time spent up to now is 97.2 secs Computing kpt #: 195 total cpu time spent up to now is 97.8 secs Computing kpt #: 196 total cpu time spent up to now is 98.1 secs Computing kpt #: 197 total cpu time spent up to now is 98.9 secs Computing kpt #: 198 total cpu time spent up to now is 99.7 secs Computing kpt #: 199 total cpu time spent up to now is 100.0 secs Computing kpt #: 200 total cpu time spent up to now is 100.4 secs Computing kpt #: 201 total cpu time spent up to now is 100.8 secs Computing kpt #: 202 total cpu time spent up to now is 101.0 secs Computing kpt #: 203 total cpu time spent up to now is 101.3 secs Computing kpt #: 204 total cpu time spent up to now is 101.6 secs Computing kpt #: 205 total cpu time spent up to now is 101.9 secs Computing kpt #: 206 total cpu time spent up to now is 102.1 secs Computing kpt #: 207 total cpu time spent up to now is 102.3 secs Computing kpt #: 208 total cpu time spent up to now is 102.5 secs Computing kpt #: 209 total cpu time spent up to now is 102.7 secs Computing kpt #: 210 total cpu time spent up to now is 103.0 secs Computing kpt #: 211 total cpu time spent up to now is 103.2 secs Computing kpt #: 212 total cpu time spent up to now is 103.4 secs Computing kpt #: 213 total cpu time spent up to now is 103.6 secs Computing kpt #: 214 total cpu time spent up to now is 103.8 secs Computing kpt #: 215 total cpu time spent up to now is 104.1 secs Computing kpt #: 216 total cpu time spent up to now is 104.3 secs Computing kpt #: 217 total cpu time spent up to now is 104.5 secs Computing kpt #: 218 total cpu time spent up to now is 104.7 secs Computing kpt #: 219 total cpu time spent up to now is 104.9 secs Computing kpt #: 220 total cpu time spent up to now is 105.2 secs Computing kpt #: 221 total cpu time spent up to now is 105.5 secs Computing kpt #: 222 total cpu time spent up to now is 105.8 secs Computing kpt #: 223 total cpu time spent up to now is 106.0 secs Computing kpt #: 224 total cpu time spent up to now is 106.2 secs Computing kpt #: 225 total cpu time spent up to now is 106.5 secs Computing kpt #: 226 total cpu time spent up to now is 106.7 secs Computing kpt #: 227 total cpu time spent up to now is 107.0 secs Computing kpt #: 228 total cpu time spent up to now is 107.3 secs Computing kpt #: 229 total cpu time spent up to now is 107.5 secs Computing kpt #: 230 total cpu time spent up to now is 108.5 secs Computing kpt #: 231 total cpu time spent up to now is 108.8 secs Computing kpt #: 232 total cpu time spent up to now is 109.1 secs Computing kpt #: 233 total cpu time spent up to now is 109.5 secs Computing kpt #: 234 total cpu time spent up to now is 109.7 secs Computing kpt #: 235 total cpu time spent up to now is 109.9 secs Computing kpt #: 236 total cpu time spent up to now is 110.2 secs Computing kpt #: 237 total cpu time spent up to now is 110.4 secs Computing kpt #: 238 total cpu time spent up to now is 110.6 secs Computing kpt #: 239 total cpu time spent up to now is 110.8 secs Computing kpt #: 240 total cpu time spent up to now is 111.0 secs Computing kpt #: 241 total cpu time spent up to now is 111.2 secs Computing kpt #: 242 total cpu time spent up to now is 111.4 secs Computing kpt #: 243 total cpu time spent up to now is 111.6 secs Computing kpt #: 244 total cpu time spent up to now is 111.8 secs Computing kpt #: 245 total cpu time spent up to now is 112.0 secs Computing kpt #: 246 total cpu time spent up to now is 112.2 secs Computing kpt #: 247 total cpu time spent up to now is 112.4 secs Computing kpt #: 248 total cpu time spent up to now is 112.6 secs Computing kpt #: 249 total cpu time spent up to now is 112.9 secs Computing kpt #: 250 total cpu time spent up to now is 113.2 secs Computing kpt #: 251 total cpu time spent up to now is 113.4 secs Computing kpt #: 252 total cpu time spent up to now is 113.7 secs Computing kpt #: 253 total cpu time spent up to now is 114.0 secs Computing kpt #: 254 total cpu time spent up to now is 114.2 secs Computing kpt #: 255 total cpu time spent up to now is 114.5 secs Computing kpt #: 256 total cpu time spent up to now is 114.9 secs Computing kpt #: 257 total cpu time spent up to now is 115.2 secs Computing kpt #: 258 total cpu time spent up to now is 115.6 secs Computing kpt #: 259 total cpu time spent up to now is 115.9 secs Computing kpt #: 260 total cpu time spent up to now is 116.2 secs Computing kpt #: 261 total cpu time spent up to now is 116.5 secs Computing kpt #: 262 total cpu time spent up to now is 116.9 secs Computing kpt #: 263 total cpu time spent up to now is 117.1 secs Computing kpt #: 264 total cpu time spent up to now is 117.4 secs Computing kpt #: 265 total cpu time spent up to now is 117.6 secs Computing kpt #: 266 total cpu time spent up to now is 117.9 secs Computing kpt #: 267 total cpu time spent up to now is 118.2 secs Computing kpt #: 268 total cpu time spent up to now is 118.4 secs Computing kpt #: 269 total cpu time spent up to now is 118.7 secs Computing kpt #: 270 total cpu time spent up to now is 119.0 secs Computing kpt #: 271 total cpu time spent up to now is 119.2 secs Computing kpt #: 272 total cpu time spent up to now is 119.6 secs Computing kpt #: 273 total cpu time spent up to now is 119.9 secs Computing kpt #: 274 total cpu time spent up to now is 120.1 secs Computing kpt #: 275 total cpu time spent up to now is 120.5 secs Computing kpt #: 276 total cpu time spent up to now is 121.2 secs Computing kpt #: 277 total cpu time spent up to now is 121.6 secs Computing kpt #: 278 total cpu time spent up to now is 121.9 secs Computing kpt #: 279 total cpu time spent up to now is 122.3 secs Computing kpt #: 280 total cpu time spent up to now is 122.6 secs Computing kpt #: 281 total cpu time spent up to now is 122.9 secs Computing kpt #: 282 total cpu time spent up to now is 123.2 secs Computing kpt #: 283 total cpu time spent up to now is 123.5 secs Computing kpt #: 284 total cpu time spent up to now is 123.8 secs Computing kpt #: 285 total cpu time spent up to now is 124.1 secs Computing kpt #: 286 total cpu time spent up to now is 124.4 secs Computing kpt #: 287 total cpu time spent up to now is 124.7 secs Computing kpt #: 288 total cpu time spent up to now is 124.9 secs Computing kpt #: 289 total cpu time spent up to now is 125.1 secs Computing kpt #: 290 total cpu time spent up to now is 125.4 secs Computing kpt #: 291 total cpu time spent up to now is 125.6 secs Computing kpt #: 292 total cpu time spent up to now is 125.9 secs Computing kpt #: 293 total cpu time spent up to now is 126.2 secs Computing kpt #: 294 total cpu time spent up to now is 126.4 secs Computing kpt #: 295 total cpu time spent up to now is 126.7 secs Computing kpt #: 296 total cpu time spent up to now is 126.9 secs Computing kpt #: 297 total cpu time spent up to now is 127.3 secs Computing kpt #: 298 total cpu time spent up to now is 127.6 secs Computing kpt #: 299 total cpu time spent up to now is 127.9 secs Computing kpt #: 300 total cpu time spent up to now is 128.4 secs Computing kpt #: 301 total cpu time spent up to now is 128.8 secs Computing kpt #: 302 total cpu time spent up to now is 129.2 secs Computing kpt #: 303 total cpu time spent up to now is 129.5 secs Computing kpt #: 304 total cpu time spent up to now is 129.8 secs Computing kpt #: 305 total cpu time spent up to now is 130.2 secs Computing kpt #: 306 total cpu time spent up to now is 130.6 secs Computing kpt #: 307 total cpu time spent up to now is 130.8 secs Computing kpt #: 308 total cpu time spent up to now is 131.1 secs Computing kpt #: 309 total cpu time spent up to now is 131.4 secs Computing kpt #: 310 total cpu time spent up to now is 131.6 secs Computing kpt #: 311 total cpu time spent up to now is 131.9 secs Computing kpt #: 312 total cpu time spent up to now is 132.2 secs Computing kpt #: 313 total cpu time spent up to now is 132.4 secs Computing kpt #: 314 total cpu time spent up to now is 132.8 secs Computing kpt #: 315 total cpu time spent up to now is 133.0 secs Computing kpt #: 316 total cpu time spent up to now is 133.2 secs Computing kpt #: 317 total cpu time spent up to now is 133.4 secs Computing kpt #: 318 total cpu time spent up to now is 133.5 secs Computing kpt #: 319 total cpu time spent up to now is 133.7 secs Computing kpt #: 320 total cpu time spent up to now is 133.9 secs Computing kpt #: 321 total cpu time spent up to now is 134.1 secs Computing kpt #: 322 total cpu time spent up to now is 134.3 secs Computing kpt #: 323 total cpu time spent up to now is 134.5 secs Computing kpt #: 324 total cpu time spent up to now is 134.7 secs Computing kpt #: 325 total cpu time spent up to now is 134.9 secs Computing kpt #: 326 total cpu time spent up to now is 135.1 secs Computing kpt #: 327 total cpu time spent up to now is 135.3 secs Computing kpt #: 328 total cpu time spent up to now is 135.5 secs Computing kpt #: 329 total cpu time spent up to now is 135.7 secs Computing kpt #: 330 total cpu time spent up to now is 135.9 secs Computing kpt #: 331 total cpu time spent up to now is 136.7 secs Computing kpt #: 332 total cpu time spent up to now is 137.0 secs Computing kpt #: 333 total cpu time spent up to now is 137.4 secs Computing kpt #: 334 total cpu time spent up to now is 137.6 secs Computing kpt #: 335 total cpu time spent up to now is 137.9 secs Computing kpt #: 336 total cpu time spent up to now is 138.1 secs Computing kpt #: 337 total cpu time spent up to now is 138.3 secs Computing kpt #: 338 total cpu time spent up to now is 138.6 secs Computing kpt #: 339 total cpu time spent up to now is 138.9 secs Computing kpt #: 340 total cpu time spent up to now is 139.2 secs Computing kpt #: 341 total cpu time spent up to now is 139.7 secs Computing kpt #: 342 total cpu time spent up to now is 140.0 secs Computing kpt #: 343 total cpu time spent up to now is 140.3 secs Computing kpt #: 344 total cpu time spent up to now is 140.6 secs Computing kpt #: 345 total cpu time spent up to now is 140.9 secs Computing kpt #: 346 total cpu time spent up to now is 141.1 secs Computing kpt #: 347 total cpu time spent up to now is 141.4 secs Computing kpt #: 348 total cpu time spent up to now is 141.6 secs Computing kpt #: 349 total cpu time spent up to now is 141.9 secs Computing kpt #: 350 total cpu time spent up to now is 142.2 secs Computing kpt #: 351 total cpu time spent up to now is 142.6 secs Computing kpt #: 352 total cpu time spent up to now is 142.9 secs Computing kpt #: 353 total cpu time spent up to now is 143.2 secs Computing kpt #: 354 total cpu time spent up to now is 143.5 secs Computing kpt #: 355 total cpu time spent up to now is 143.8 secs Computing kpt #: 356 total cpu time spent up to now is 144.1 secs Computing kpt #: 357 total cpu time spent up to now is 144.4 secs Computing kpt #: 358 total cpu time spent up to now is 144.7 secs Computing kpt #: 359 total cpu time spent up to now is 145.0 secs Computing kpt #: 360 total cpu time spent up to now is 145.4 secs Computing kpt #: 361 total cpu time spent up to now is 146.0 secs Computing kpt #: 362 total cpu time spent up to now is 146.5 secs Computing kpt #: 363 total cpu time spent up to now is 146.8 secs Computing kpt #: 364 total cpu time spent up to now is 147.1 secs Computing kpt #: 365 total cpu time spent up to now is 147.5 secs Computing kpt #: 366 total cpu time spent up to now is 147.8 secs Computing kpt #: 367 total cpu time spent up to now is 148.3 secs Computing kpt #: 368 total cpu time spent up to now is 148.8 secs Computing kpt #: 369 total cpu time spent up to now is 149.1 secs Computing kpt #: 370 total cpu time spent up to now is 149.3 secs Computing kpt #: 371 total cpu time spent up to now is 149.7 secs Computing kpt #: 372 total cpu time spent up to now is 150.0 secs Computing kpt #: 373 total cpu time spent up to now is 150.8 secs Computing kpt #: 374 total cpu time spent up to now is 151.3 secs Computing kpt #: 375 total cpu time spent up to now is 151.5 secs Computing kpt #: 376 total cpu time spent up to now is 151.7 secs Computing kpt #: 377 total cpu time spent up to now is 151.9 secs Computing kpt #: 378 total cpu time spent up to now is 152.1 secs Computing kpt #: 379 total cpu time spent up to now is 152.3 secs Computing kpt #: 380 total cpu time spent up to now is 152.6 secs Computing kpt #: 381 total cpu time spent up to now is 152.8 secs Computing kpt #: 382 total cpu time spent up to now is 153.0 secs Computing kpt #: 383 total cpu time spent up to now is 153.2 secs Computing kpt #: 384 total cpu time spent up to now is 153.4 secs Computing kpt #: 385 total cpu time spent up to now is 153.6 secs Computing kpt #: 386 total cpu time spent up to now is 153.8 secs Computing kpt #: 387 total cpu time spent up to now is 154.0 secs Computing kpt #: 388 total cpu time spent up to now is 154.2 secs Computing kpt #: 389 total cpu time spent up to now is 154.4 secs Computing kpt #: 390 total cpu time spent up to now is 154.6 secs Computing kpt #: 391 total cpu time spent up to now is 154.8 secs Computing kpt #: 392 total cpu time spent up to now is 155.0 secs Computing kpt #: 393 total cpu time spent up to now is 155.3 secs Computing kpt #: 394 total cpu time spent up to now is 155.5 secs Computing kpt #: 395 total cpu time spent up to now is 155.8 secs Computing kpt #: 396 total cpu time spent up to now is 156.1 secs Computing kpt #: 397 total cpu time spent up to now is 156.5 secs Computing kpt #: 398 total cpu time spent up to now is 157.0 secs Computing kpt #: 399 total cpu time spent up to now is 157.3 secs Computing kpt #: 400 total cpu time spent up to now is 157.5 secs Computing kpt #: 401 total cpu time spent up to now is 157.8 secs Computing kpt #: 402 total cpu time spent up to now is 158.0 secs Computing kpt #: 403 total cpu time spent up to now is 158.3 secs Computing kpt #: 404 total cpu time spent up to now is 158.6 secs Computing kpt #: 405 total cpu time spent up to now is 158.8 secs Computing kpt #: 406 total cpu time spent up to now is 159.1 secs Computing kpt #: 407 total cpu time spent up to now is 159.3 secs Computing kpt #: 408 total cpu time spent up to now is 159.7 secs Computing kpt #: 409 total cpu time spent up to now is 160.0 secs Computing kpt #: 410 total cpu time spent up to now is 160.4 secs Computing kpt #: 411 total cpu time spent up to now is 160.7 secs Computing kpt #: 412 total cpu time spent up to now is 161.0 secs Computing kpt #: 413 total cpu time spent up to now is 161.4 secs Computing kpt #: 414 total cpu time spent up to now is 161.7 secs Computing kpt #: 415 total cpu time spent up to now is 162.1 secs Computing kpt #: 416 total cpu time spent up to now is 162.4 secs Computing kpt #: 417 total cpu time spent up to now is 162.9 secs Computing kpt #: 418 total cpu time spent up to now is 163.4 secs Computing kpt #: 419 total cpu time spent up to now is 163.7 secs Computing kpt #: 420 total cpu time spent up to now is 164.1 secs Computing kpt #: 421 total cpu time spent up to now is 164.5 secs Computing kpt #: 422 total cpu time spent up to now is 164.8 secs Computing kpt #: 423 total cpu time spent up to now is 165.0 secs Computing kpt #: 424 total cpu time spent up to now is 165.3 secs Computing kpt #: 425 total cpu time spent up to now is 165.5 secs Computing kpt #: 426 total cpu time spent up to now is 166.1 secs Computing kpt #: 427 total cpu time spent up to now is 166.3 secs Computing kpt #: 428 total cpu time spent up to now is 166.5 secs Computing kpt #: 429 total cpu time spent up to now is 166.8 secs Computing kpt #: 430 total cpu time spent up to now is 167.0 secs Computing kpt #: 431 total cpu time spent up to now is 167.2 secs Computing kpt #: 432 total cpu time spent up to now is 167.4 secs Computing kpt #: 433 total cpu time spent up to now is 167.6 secs Computing kpt #: 434 total cpu time spent up to now is 167.8 secs Computing kpt #: 435 total cpu time spent up to now is 168.0 secs Computing kpt #: 436 total cpu time spent up to now is 168.2 secs Computing kpt #: 437 total cpu time spent up to now is 168.7 secs Computing kpt #: 438 total cpu time spent up to now is 169.1 secs Computing kpt #: 439 total cpu time spent up to now is 169.4 secs Computing kpt #: 440 total cpu time spent up to now is 169.7 secs Computing kpt #: 441 total cpu time spent up to now is 169.9 secs Computing kpt #: 442 total cpu time spent up to now is 170.2 secs Computing kpt #: 443 total cpu time spent up to now is 170.5 secs Computing kpt #: 444 total cpu time spent up to now is 170.8 secs Computing kpt #: 445 total cpu time spent up to now is 171.1 secs Computing kpt #: 446 total cpu time spent up to now is 171.4 secs Computing kpt #: 447 total cpu time spent up to now is 171.7 secs Computing kpt #: 448 total cpu time spent up to now is 172.0 secs Computing kpt #: 449 total cpu time spent up to now is 172.2 secs Computing kpt #: 450 total cpu time spent up to now is 172.4 secs Computing kpt #: 451 total cpu time spent up to now is 172.7 secs Computing kpt #: 452 total cpu time spent up to now is 173.1 secs Computing kpt #: 453 total cpu time spent up to now is 173.4 secs Computing kpt #: 454 total cpu time spent up to now is 173.7 secs Computing kpt #: 455 total cpu time spent up to now is 174.1 secs Computing kpt #: 456 total cpu time spent up to now is 174.4 secs Computing kpt #: 457 total cpu time spent up to now is 174.7 secs Computing kpt #: 458 total cpu time spent up to now is 175.0 secs Computing kpt #: 459 total cpu time spent up to now is 175.4 secs Computing kpt #: 460 total cpu time spent up to now is 175.7 secs Computing kpt #: 461 total cpu time spent up to now is 176.0 secs Computing kpt #: 462 total cpu time spent up to now is 176.3 secs Computing kpt #: 463 total cpu time spent up to now is 176.6 secs Computing kpt #: 464 total cpu time spent up to now is 176.9 secs Computing kpt #: 465 total cpu time spent up to now is 177.5 secs Computing kpt #: 466 total cpu time spent up to now is 178.0 secs Computing kpt #: 467 total cpu time spent up to now is 178.3 secs Computing kpt #: 468 total cpu time spent up to now is 178.7 secs Computing kpt #: 469 total cpu time spent up to now is 179.2 secs Computing kpt #: 470 total cpu time spent up to now is 179.6 secs Computing kpt #: 471 total cpu time spent up to now is 180.1 secs Computing kpt #: 472 total cpu time spent up to now is 180.7 secs Computing kpt #: 473 total cpu time spent up to now is 181.2 secs Computing kpt #: 474 total cpu time spent up to now is 181.5 secs Computing kpt #: 475 total cpu time spent up to now is 181.9 secs Computing kpt #: 476 total cpu time spent up to now is 182.2 secs Computing kpt #: 477 total cpu time spent up to now is 182.6 secs Computing kpt #: 478 total cpu time spent up to now is 182.9 secs Computing kpt #: 479 total cpu time spent up to now is 183.2 secs Computing kpt #: 480 total cpu time spent up to now is 183.5 secs Computing kpt #: 481 total cpu time spent up to now is 183.7 secs Computing kpt #: 482 total cpu time spent up to now is 184.1 secs Computing kpt #: 483 total cpu time spent up to now is 184.4 secs Computing kpt #: 484 total cpu time spent up to now is 184.9 secs Computing kpt #: 485 total cpu time spent up to now is 185.1 secs Computing kpt #: 486 total cpu time spent up to now is 185.4 secs Computing kpt #: 487 total cpu time spent up to now is 185.9 secs Computing kpt #: 488 total cpu time spent up to now is 186.1 secs Computing kpt #: 489 total cpu time spent up to now is 186.3 secs Computing kpt #: 490 total cpu time spent up to now is 186.6 secs Computing kpt #: 491 total cpu time spent up to now is 186.9 secs Computing kpt #: 492 total cpu time spent up to now is 187.2 secs Computing kpt #: 493 total cpu time spent up to now is 187.7 secs Computing kpt #: 494 total cpu time spent up to now is 188.0 secs Computing kpt #: 495 total cpu time spent up to now is 188.2 secs Computing kpt #: 496 total cpu time spent up to now is 188.4 secs Computing kpt #: 497 total cpu time spent up to now is 188.9 secs Computing kpt #: 498 total cpu time spent up to now is 189.1 secs Computing kpt #: 499 total cpu time spent up to now is 189.3 secs Computing kpt #: 500 total cpu time spent up to now is 189.5 secs Computing kpt #: 501 total cpu time spent up to now is 189.7 secs Computing kpt #: 502 total cpu time spent up to now is 189.9 secs Computing kpt #: 503 total cpu time spent up to now is 190.1 secs Computing kpt #: 504 total cpu time spent up to now is 190.3 secs Computing kpt #: 505 total cpu time spent up to now is 190.5 secs Computing kpt #: 506 total cpu time spent up to now is 190.7 secs ethr = 7.14E-11, avg # of iterations = 24.3 total cpu time spent up to now is 190.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 665 PWs) bands (ev): 0.8039 0.8039 9.2850 9.2850 9.7978 9.7978 10.6013 10.6013 13.1672 13.1672 13.7528 13.7528 14.9465 14.9465 18.2625 18.2625 18.4661 18.4661 20.1974 20.1974 28.4951 28.4951 k = 0.0082 0.0047-0.0000 ( 669 PWs) bands (ev): 0.8052 0.8052 9.2853 9.2853 9.7978 9.7978 10.6011 10.6011 13.1638 13.1638 13.7476 13.7476 14.9557 14.9557 18.2583 18.2583 18.4629 18.4629 20.2032 20.2032 28.4854 28.4854 k = 0.0164 0.0095-0.0000 ( 668 PWs) bands (ev): 0.8093 0.8093 9.2862 9.2862 9.7979 9.7979 10.6006 10.6006 13.1535 13.1535 13.7327 13.7327 14.9828 14.9828 18.2455 18.2455 18.4539 18.4539 20.2203 20.2203 28.4575 28.4575 k = 0.0246 0.0142-0.0000 ( 666 PWs) bands (ev): 0.8162 0.8162 9.2877 9.2877 9.7979 9.7979 10.5999 10.5999 13.1360 13.1360 13.7103 13.7103 15.0259 15.0259 18.2241 18.2241 18.4396 18.4396 20.2481 20.2481 28.4147 28.4147 k = 0.0328 0.0189-0.0000 ( 666 PWs) bands (ev): 0.8258 0.8258 9.2897 9.2897 9.7979 9.7979 10.5991 10.5991 13.1110 13.1110 13.6829 13.6829 15.0827 15.0827 18.1937 18.1937 18.4209 18.4209 20.2859 20.2859 28.3608 28.3608 k = 0.0410 0.0237-0.0000 ( 666 PWs) bands (ev): 0.8381 0.8381 9.2920 9.2920 9.7977 9.7977 10.5984 10.5984 13.0781 13.0781 13.6535 13.6535 15.1507 15.1507 18.1546 18.1546 18.3989 18.3989 20.3326 20.3326 28.2992 28.2992 k = 0.0492 0.0284-0.0000 ( 666 PWs) bands (ev): 0.8531 0.8531 9.2945 9.2945 9.7972 9.7972 10.5983 10.5983 13.0374 13.0374 13.6241 13.6241 15.2278 15.2278 18.1072 18.1072 18.3742 18.3742 20.3872 20.3872 28.2328 28.2328 k = 0.0574 0.0331-0.0000 ( 666 PWs) bands (ev): 0.8708 0.8708 9.2971 9.2971 9.7965 9.7965 10.5989 10.5989 12.9890 12.9890 13.5964 13.5964 15.3120 15.3120 18.0521 18.0521 18.3471 18.3471 20.4486 20.4486 28.1636 28.1636 k = 0.0656 0.0379-0.0000 ( 666 PWs) bands (ev): 0.8912 0.8912 9.2994 9.2994 9.7953 9.7953 10.6006 10.6006 12.9337 12.9337 13.5712 13.5712 15.4019 15.4019 17.9902 17.9902 18.3177 18.3177 20.5159 20.5159 28.0934 28.0934 k = 0.0738 0.0426-0.0000 ( 668 PWs) bands (ev): 0.9142 0.9142 9.3011 9.3011 9.7937 9.7937 10.6039 10.6039 12.8725 12.8725 13.5486 13.5486 15.4963 15.4963 17.9223 17.9223 18.2860 18.2860 20.5882 20.5882 28.0234 28.0234 k = 0.0820 0.0473-0.0000 ( 668 PWs) bands (ev): 0.9398 0.9398 9.3020 9.3020 9.7918 9.7918 10.6091 10.6091 12.8063 12.8063 13.5286 13.5286 15.5942 15.5942 17.8493 17.8493 18.2521 18.2521 20.6646 20.6646 27.9546 27.9546 k = 0.0902 0.0521-0.0000 ( 668 PWs) bands (ev): 0.9681 0.9681 9.3015 9.3015 9.7896 9.7896 10.6165 10.6165 12.7363 12.7363 13.5107 13.5107 15.6949 15.6949 17.7721 17.7721 18.2159 18.2159 20.7445 20.7445 27.8878 27.8878 k = 0.0984 0.0568-0.0000 ( 664 PWs) bands (ev): 0.9990 0.9990 9.2992 9.2992 9.7875 9.7875 10.6265 10.6265 12.6634 12.6634 13.4947 13.4947 15.7977 15.7977 17.6912 17.6912 18.1774 18.1774 20.8273 20.8273 27.8235 27.8235 k = 0.1066 0.0615-0.0000 ( 664 PWs) bands (ev): 1.0323 1.0323 9.2946 9.2946 9.7857 9.7857 10.6392 10.6392 12.5885 12.5885 13.4801 13.4801 15.9022 15.9022 17.6071 17.6071 18.1366 18.1366 20.9123 20.9123 27.7622 27.7622 k = 0.1148 0.0663-0.0000 ( 664 PWs) bands (ev): 1.0682 1.0682 9.2871 9.2871 9.7845 9.7845 10.6549 10.6549 12.5122 12.5122 13.4667 13.4667 16.0079 16.0079 17.5204 17.5204 18.0935 18.0935 20.9990 20.9990 27.7044 27.7044 k = 0.1230 0.0710-0.0000 ( 664 PWs) bands (ev): 1.1065 1.1065 9.2762 9.2762 9.7845 9.7845 10.6737 10.6737 12.4351 12.4351 13.4541 13.4541 16.1143 16.1143 17.4315 17.4315 18.0482 18.0482 21.0870 21.0870 27.6504 27.6504 k = 0.1311 0.0757-0.0000 ( 664 PWs) bands (ev): 1.1472 1.1472 9.2617 9.2617 9.7859 9.7859 10.6957 10.6957 12.3577 12.3577 13.4422 13.4422 16.2211 16.2211 17.3410 17.3410 18.0009 18.0009 21.1758 21.1758 27.6003 27.6003 k = 0.1393 0.0805-0.0000 ( 658 PWs) bands (ev): 1.1904 1.1904 9.2431 9.2431 9.7890 9.7890 10.7208 10.7208 12.2805 12.2805 13.4308 13.4308 16.3279 16.3279 17.2495 17.2495 17.9517 17.9517 21.2649 21.2649 27.5545 27.5545 k = 0.1475 0.0852-0.0000 ( 662 PWs) bands (ev): 1.2358 1.2358 9.2204 9.2204 9.7940 9.7940 10.7489 10.7489 12.2036 12.2036 13.4199 13.4199 16.4339 16.4339 17.1573 17.1573 17.9004 17.9004 21.3540 21.3540 27.5130 27.5130 k = 0.1557 0.0899-0.0000 ( 666 PWs) bands (ev): 1.2835 1.2835 9.1935 9.1935 9.8010 9.8010 10.7800 10.7800 12.1275 12.1275 13.4092 13.4092 16.5379 16.5379 17.0659 17.0659 17.8475 17.8475 21.4427 21.4427 27.4758 27.4758 k = 0.1639 0.0946-0.0000 ( 666 PWs) bands (ev): 1.3334 1.3334 9.1628 9.1628 9.8099 9.8099 10.8139 10.8139 12.0524 12.0524 13.3988 13.3988 16.6371 16.6371 16.9784 16.9784 17.7932 17.7932 21.5306 21.5306 27.4431 27.4431 k = 0.1721 0.0994-0.0000 ( 670 PWs) bands (ev): 1.3854 1.3854 9.1283 9.1283 9.8204 9.8204 10.8504 10.8504 11.9786 11.9786 13.3886 13.3886 16.7170 16.7170 16.9088 16.9088 17.7376 17.7376 21.6173 21.6173 27.4146 27.4146 k = 0.1803 0.1041-0.0000 ( 670 PWs) bands (ev): 1.4395 1.4395 9.0905 9.0905 9.8324 9.8324 10.8893 10.8893 11.9064 11.9064 13.3785 13.3785 16.7192 16.7192 16.9158 16.9158 17.6813 17.6813 21.7025 21.7025 27.3904 27.3904 k = 0.1885 0.1088-0.0000 ( 670 PWs) bands (ev): 1.4956 1.4956 9.0497 9.0497 9.8456 9.8456 10.9302 10.9302 11.8360 11.8360 13.3686 13.3686 16.6481 16.6481 16.9943 16.9943 17.6248 17.6248 21.7860 21.7860 27.3701 27.3701 k = 0.1967 0.1136-0.0000 ( 674 PWs) bands (ev): 1.5537 1.5537 9.0063 9.0063 9.8597 9.8597 10.9727 10.9727 11.7678 11.7678 13.3589 13.3589 16.5608 16.5608 17.0858 17.0858 17.5695 17.5695 21.8675 21.8675 27.3534 27.3534 k = 0.2049 0.1183-0.0000 ( 674 PWs) bands (ev): 1.6136 1.6136 8.9605 8.9605 9.8743 9.8743 11.0162 11.0162 11.7025 11.7025 13.3493 13.3493 16.4703 16.4703 17.1741 17.1741 17.5192 17.5192 21.9466 21.9466 27.3399 27.3399 k = 0.2131 0.1230-0.0000 ( 672 PWs) bands (ev): 1.6753 1.6753 8.9128 8.9128 9.8893 9.8893 11.0598 11.0598 11.6409 11.6409 13.3398 13.3398 16.3794 16.3794 17.2450 17.2450 17.4856 17.4856 22.0233 22.0233 27.3291 27.3291 k = 0.2213 0.1278-0.0000 ( 678 PWs) bands (ev): 1.7386 1.7386 8.8634 8.8634 9.9043 9.9043 11.1018 11.1018 11.5846 11.5846 13.3304 13.3304 16.2893 16.2893 17.2693 17.2693 17.4967 17.4967 22.0972 22.0972 27.3204 27.3204 k = 0.2295 0.1325-0.0000 ( 678 PWs) bands (ev): 1.8036 1.8036 8.8125 8.8125 9.9191 9.9191 11.1393 11.1393 11.5364 11.5364 13.3212 13.3212 16.2006 16.2006 17.2410 17.2410 17.5583 17.5583 22.1683 22.1683 27.3129 27.3129 k = 0.2377 0.1372-0.0000 ( 678 PWs) bands (ev): 1.8700 1.8700 8.7606 8.7606 9.9334 9.9334 11.1669 11.1669 11.5016 11.5016 13.3122 13.3122 16.1138 16.1138 17.1890 17.1890 17.6413 17.6413 22.2364 22.2364 27.3058 27.3058 k = 0.2459 0.1420-0.0000 ( 674 PWs) bands (ev): 1.9378 1.9378 8.7076 8.7076 9.9470 9.9470 11.1773 11.1773 11.4876 11.4876 13.3033 13.3033 16.0292 16.0292 17.1285 17.1285 17.7305 17.7305 22.3015 22.3015 27.2981 27.2981 k = 0.2541 0.1467-0.0000 ( 670 PWs) bands (ev): 2.0069 2.0069 8.6540 8.6540 9.9597 9.9597 11.1662 11.1662 11.4985 11.4985 13.2945 13.2945 15.9471 15.9471 17.0642 17.0642 17.8208 17.8208 22.3636 22.3636 27.2886 27.2886 k = 0.2623 0.1514-0.0000 ( 670 PWs) bands (ev): 2.0771 2.0771 8.5998 8.5998 9.9714 9.9714 11.1373 11.1373 11.5303 11.5303 13.2860 13.2860 15.8679 15.8679 16.9977 16.9977 17.9107 17.9107 22.4226 22.4226 27.2761 27.2761 k = 0.2705 0.1562-0.0000 ( 670 PWs) bands (ev): 2.1483 2.1483 8.5453 8.5453 9.9818 9.9818 11.0980 11.0980 11.5756 11.5756 13.2776 13.2776 15.7917 15.7917 16.9298 16.9298 17.9994 17.9994 22.4786 22.4786 27.2593 27.2593 k = 0.2787 0.1609-0.0000 ( 670 PWs) bands (ev): 2.2203 2.2203 8.4905 8.4905 9.9908 9.9908 11.0537 11.0537 11.6290 11.6290 13.2694 13.2694 15.7189 15.7189 16.8609 16.8609 18.0862 18.0862 22.5316 22.5316 27.2372 27.2372 k = 0.2869 0.1656-0.0000 ( 670 PWs) bands (ev): 2.2931 2.2931 8.4357 8.4357 9.9983 9.9983 11.0071 11.0071 11.6874 11.6874 13.2615 13.2615 15.6497 15.6497 16.7915 16.7915 18.1710 18.1710 22.5819 22.5819 27.2085 27.2085 k = 0.2951 0.1704-0.0000 ( 670 PWs) bands (ev): 2.3665 2.3665 8.3809 8.3809 10.0042 10.0042 10.9600 10.9600 11.7491 11.7491 13.2538 13.2538 15.5841 15.5841 16.7216 16.7216 18.2534 18.2534 22.6294 22.6294 27.1726 27.1726 k = 0.3033 0.1751-0.0000 ( 672 PWs) bands (ev): 2.4403 2.4403 8.3263 8.3263 10.0085 10.0085 10.9131 10.9131 11.8131 11.8131 13.2463 13.2463 15.5224 15.5224 16.6515 16.6515 18.3334 18.3334 22.6744 22.6744 27.1287 27.1287 k = 0.3115 0.1798-0.0000 ( 676 PWs) bands (ev): 2.5142 2.5142 8.2720 8.2720 10.0111 10.0111 10.8669 10.8669 11.8788 11.8788 13.2391 13.2391 15.4646 15.4646 16.5813 16.5813 18.4108 18.4108 22.7170 22.7170 27.0765 27.0765 k = 0.3197 0.1846-0.0000 ( 676 PWs) bands (ev): 2.5883 2.5883 8.2182 8.2182 10.0121 10.0121 10.8217 10.8217 11.9456 11.9456 13.2322 13.2322 15.4108 15.4108 16.5113 16.5113 18.4854 18.4854 22.7574 22.7574 27.0164 27.0164 k = 0.3279 0.1893-0.0000 ( 676 PWs) bands (ev): 2.6621 2.6621 8.1649 8.1649 10.0115 10.0115 10.7777 10.7777 12.0133 12.0133 13.2257 13.2257 15.3611 15.3611 16.4416 16.4416 18.5571 18.5571 22.7958 22.7958 26.9485 26.9485 k = 0.3361 0.1940-0.0000 ( 678 PWs) bands (ev): 2.7356 2.7356 8.1123 8.1123 10.0094 10.0094 10.7349 10.7349 12.0814 12.0814 13.2196 13.2196 15.3154 15.3154 16.3723 16.3723 18.6259 18.6259 22.8323 22.8323 26.8737 26.8737 k = 0.3443 0.1988-0.0000 ( 674 PWs) bands (ev): 2.8085 2.8085 8.0606 8.0606 10.0058 10.0058 10.6934 10.6934 12.1496 12.1496 13.2139 13.2139 15.2736 15.2736 16.3036 16.3036 18.6917 18.6917 22.8672 22.8672 26.7929 26.7929 k = 0.3525 0.2035-0.0000 ( 670 PWs) bands (ev): 2.8805 2.8805 8.0097 8.0097 10.0010 10.0010 10.6534 10.6534 12.2177 12.2177 13.2087 13.2087 15.2355 15.2355 16.2358 16.2358 18.7544 18.7544 22.9006 22.9006 26.7073 26.7073 k = 0.3607 0.2082-0.0000 ( 670 PWs) bands (ev): 2.9514 2.9514 7.9599 7.9599 9.9950 9.9950 10.6148 10.6148 12.2853 12.2853 13.2042 13.2042 15.2010 15.2010 16.1692 16.1692 18.8139 18.8139 22.9327 22.9327 26.6175 26.6175 k = 0.3689 0.2130-0.0000 ( 670 PWs) bands (ev): 3.0209 3.0209 7.9113 7.9113 9.9880 9.9880 10.5778 10.5778 12.3520 12.3520 13.2004 13.2004 15.1697 15.1697 16.1038 16.1038 18.8702 18.8702 22.9635 22.9635 26.5251 26.5251 k = 0.3770 0.2177-0.0000 ( 670 PWs) bands (ev): 3.0887 3.0887 7.8640 7.8640 9.9802 9.9802 10.5423 10.5423 12.4175 12.4175 13.1975 13.1975 15.1414 15.1414 16.0402 16.0402 18.9232 18.9232 22.9933 22.9933 26.4311 26.4311 k = 0.3852 0.2224-0.0000 ( 672 PWs) bands (ev): 3.1546 3.1546 7.8182 7.8182 9.9717 9.9717 10.5084 10.5084 12.4812 12.4812 13.1956 13.1956 15.1157 15.1157 15.9785 15.9785 18.9730 18.9730 23.0219 23.0219 26.3369 26.3369 k = 0.3934 0.2272-0.0000 ( 672 PWs) bands (ev): 3.2181 3.2181 7.7741 7.7741 9.9629 9.9629 10.4763 10.4763 12.5427 12.5427 13.1951 13.1951 15.0923 15.0923 15.9192 15.9192 19.0193 19.0193 23.0496 23.0496 26.2432 26.2432 k = 0.4016 0.2319-0.0000 ( 672 PWs) bands (ev): 3.2790 3.2790 7.7320 7.7320 9.9538 9.9538 10.4461 10.4461 12.6014 12.6014 13.1961 13.1961 15.0709 15.0709 15.8626 15.8626 19.0623 19.0623 23.0764 23.0764 26.1513 26.1513 k = 0.4098 0.2366-0.0000 ( 672 PWs) bands (ev): 3.3369 3.3369 7.6919 7.6919 9.9446 9.9446 10.4177 10.4177 12.6567 12.6567 13.1988 13.1988 15.0511 15.0511 15.8092 15.8092 19.1019 19.1019 23.1021 23.1021 26.0621 26.0621 k = 0.4180 0.2414-0.0000 ( 672 PWs) bands (ev): 3.3914 3.3914 7.6542 7.6542 9.9355 9.9355 10.3914 10.3914 12.7077 12.7077 13.2037 13.2037 15.0324 15.0324 15.7593 15.7593 19.1381 19.1381 23.1268 23.1268 25.9767 25.9767 k = 0.4262 0.2461-0.0000 ( 672 PWs) bands (ev): 3.4422 3.4422 7.6191 7.6191 9.9267 9.9267 10.3672 10.3672 12.7539 12.7539 13.2109 13.2109 15.0148 15.0148 15.7135 15.7135 19.1708 19.1708 23.1503 23.1503 25.8960 25.8960 k = 0.4344 0.2508-0.0000 ( 672 PWs) bands (ev): 3.4890 3.4890 7.5867 7.5867 9.9183 9.9183 10.3453 10.3453 12.7945 12.7945 13.2206 13.2206 14.9978 14.9978 15.6720 15.6720 19.2001 19.2001 23.1724 23.1724 25.8208 25.8208 k = 0.4426 0.2555-0.0000 ( 670 PWs) bands (ev): 3.5313 3.5313 7.5574 7.5574 9.9105 9.9105 10.3257 10.3257 12.8292 12.8292 13.2325 13.2325 14.9817 14.9817 15.6352 15.6352 19.2260 19.2260 23.1928 23.1928 25.7520 25.7520 k = 0.4508 0.2603-0.0000 ( 666 PWs) bands (ev): 3.5688 3.5688 7.5314 7.5314 9.9035 9.9035 10.3085 10.3085 12.8579 12.8579 13.2462 13.2462 14.9663 14.9663 15.6033 15.6033 19.2487 19.2487 23.2115 23.2115 25.6904 25.6904 k = 0.4590 0.2650-0.0000 ( 664 PWs) bands (ev): 3.6011 3.6011 7.5090 7.5090 9.8973 9.8973 10.2939 10.2939 12.8807 12.8807 13.2609 13.2609 14.9521 14.9521 15.5765 15.5765 19.2676 19.2676 23.2280 23.2280 25.6367 25.6367 k = 0.4672 0.2697-0.0000 ( 664 PWs) bands (ev): 3.6281 3.6281 7.4903 7.4903 9.8921 9.8921 10.2818 10.2818 12.8980 12.8980 13.2753 13.2753 14.9394 14.9394 15.5548 15.5548 19.2832 19.2832 23.2420 23.2420 25.5917 25.5917 k = 0.4754 0.2745-0.0000 ( 664 PWs) bands (ev): 3.6493 3.6493 7.4755 7.4755 9.8879 9.8879 10.2723 10.2723 12.9107 12.9107 13.2883 13.2883 14.9287 14.9287 15.5380 15.5380 19.2952 19.2952 23.2533 23.2533 25.5559 25.5559 k = 0.4836 0.2792-0.0000 ( 664 PWs) bands (ev): 3.6646 3.6646 7.4648 7.4648 9.8849 9.8849 10.2655 10.2655 12.9192 12.9192 13.2985 13.2985 14.9206 14.9206 15.5262 15.5262 19.3039 19.3039 23.2616 23.2616 25.5300 25.5300 k = 0.4918 0.2839-0.0000 ( 664 PWs) bands (ev): 3.6739 3.6739 7.4583 7.4583 9.8830 9.8830 10.2614 10.2614 12.9241 12.9241 13.3050 13.3050 14.9155 14.9155 15.5191 15.5191 19.3090 19.3090 23.2667 23.2667 25.5143 25.5143 k = 0.5000 0.2887-0.0000 ( 668 PWs) bands (ev): 3.6770 3.6770 7.4562 7.4562 9.8824 9.8824 10.2600 10.2600 12.9257 12.9257 13.3073 13.3073 14.9137 14.9137 15.5168 15.5168 19.3107 19.3107 23.2684 23.2684 25.5089 25.5089 k = 0.5000 0.2887-0.0000 ( 668 PWs) bands (ev): 3.6770 3.6770 7.4562 7.4562 9.8824 9.8824 10.2600 10.2600 12.9257 12.9257 13.3073 13.3073 14.9137 14.9137 15.5168 15.5168 19.3107 19.3107 23.2684 23.2684 25.5089 25.5089 k = 0.4952 0.2969-0.0000 ( 664 PWs) bands (ev): 3.6739 3.6818 7.4565 7.4566 9.8784 9.8869 10.2590 10.2617 12.9164 12.9329 13.3015 13.3113 14.9023 14.9215 15.4866 15.5424 19.3047 19.3204 23.2603 23.2871 25.5080 25.5141 k = 0.4905 0.3052-0.0000 ( 664 PWs) bands (ev): 3.6725 3.6884 7.4576 7.4578 9.8748 9.8920 10.2587 10.2643 12.9050 12.9381 13.2940 13.3136 14.8873 14.9253 15.4520 15.5633 19.3023 19.3336 23.2629 23.3162 25.5110 25.5232 k = 0.4857 0.3134-0.0000 ( 664 PWs) bands (ev): 3.6728 3.6966 7.4595 7.4598 9.8718 9.8974 10.2590 10.2676 12.8914 12.9412 13.2850 13.3141 14.8686 14.9252 15.4134 15.5793 19.3035 19.3503 23.2763 23.3556 25.5181 25.5363 k = 0.4810 0.3217-0.0000 ( 664 PWs) bands (ev): 3.6748 3.7065 7.4621 7.4625 9.8694 9.9032 10.2600 10.2718 12.8755 12.9423 13.2747 13.3129 14.8466 14.9210 15.3714 15.5906 19.3083 19.3703 23.3002 23.4048 25.5292 25.5533 k = 0.4762 0.3299-0.0000 ( 664 PWs) bands (ev): 3.6785 3.7181 7.4655 7.4660 9.8675 9.9093 10.2614 10.2768 12.8571 12.9411 13.2635 13.3104 14.8212 14.9125 15.3265 15.5972 19.3165 19.3936 23.3345 23.4635 25.5441 25.5740 k = 0.4714 0.3382-0.0000 ( 668 PWs) bands (ev): 3.6838 3.7313 7.4697 7.4703 9.8660 9.9156 10.2633 10.2828 12.8361 12.9377 13.2515 13.3068 14.7926 14.8994 15.2795 15.5993 19.3280 19.4198 23.3788 23.5311 25.5628 25.5983 k = 0.4667 0.3464-0.0000 ( 668 PWs) bands (ev): 3.6907 3.7460 7.4745 7.4752 9.8650 9.9220 10.2657 10.2898 12.8125 12.9317 13.2390 13.3024 14.7611 14.8814 15.2313 15.5972 19.3428 19.4490 23.4329 23.6072 25.5852 25.6260 k = 0.4619 0.3547-0.0000 ( 668 PWs) bands (ev): 3.6991 3.7622 7.4800 7.4809 9.8645 9.9283 10.2684 10.2978 12.7862 12.9232 13.2265 13.2977 14.7268 14.8581 15.1829 15.5912 19.3605 19.4807 23.4963 23.6911 25.6111 25.6570 k = 0.4571 0.3629-0.0000 ( 668 PWs) bands (ev): 3.7090 3.7799 7.4862 7.4872 9.8643 9.9345 10.2714 10.3068 12.7572 12.9118 13.2140 13.2932 14.6902 14.8291 15.1352 15.5815 19.3811 19.5149 23.5685 23.7824 25.6402 25.6910 k = 0.4524 0.3712-0.0000 ( 672 PWs) bands (ev): 3.7203 3.7989 7.4930 7.4941 9.8644 9.9404 10.2745 10.3169 12.7255 12.8975 13.2018 13.2892 14.6514 14.7944 15.0889 15.5684 19.4042 19.5512 23.6491 23.8805 25.6724 25.7276 k = 0.4476 0.3794-0.0000 ( 672 PWs) bands (ev): 3.7329 3.8192 7.5005 7.5017 9.8648 9.9458 10.2776 10.3280 12.6912 12.8803 13.1901 13.2861 14.6109 14.7540 15.0446 15.5523 19.4297 19.5893 23.7374 23.9846 25.7073 25.7668 k = 0.4429 0.3876-0.0000 ( 672 PWs) bands (ev): 3.7467 3.8406 7.5084 7.5098 9.8653 9.9507 10.2808 10.3403 12.6546 12.8601 13.1791 13.2844 14.5691 14.7088 15.0022 15.5335 19.4572 19.6290 23.8329 24.0943 25.7448 25.8081 k = 0.4381 0.3959-0.0000 ( 672 PWs) bands (ev): 3.7618 3.8631 7.5169 7.5185 9.8660 9.9548 10.2838 10.3537 12.6157 12.8372 13.1688 13.2842 14.5263 14.6595 14.9615 15.5123 19.4864 19.6699 23.9351 24.2090 25.7846 25.8513 k = 0.4333 0.4041-0.0000 ( 676 PWs) bands (ev): 3.7778 3.8866 7.5259 7.5276 9.8667 9.9581 10.2866 10.3682 12.5747 12.8118 13.1593 13.2857 14.4830 14.6073 14.9217 15.4889 19.5171 19.7117 24.0433 24.3281 25.8262 25.8959 k = 0.4286 0.4124-0.0000 ( 676 PWs) bands (ev): 3.7948 3.9109 7.5352 7.5372 9.8674 9.9604 10.2890 10.3837 12.5321 12.7841 13.1507 13.2891 14.4397 14.5535 14.8825 15.4637 19.5489 19.7541 24.1572 24.4510 25.8694 25.9417 k = 0.4238 0.4206-0.0000 ( 680 PWs) bands (ev): 3.8126 3.9359 7.5449 7.5470 9.8680 9.9617 10.2910 10.4003 12.4881 12.7547 13.1431 13.2944 14.3968 14.4992 14.8431 15.4368 19.5813 19.7966 24.2761 24.5773 25.9137 25.9882 k = 0.4190 0.4289-0.0000 ( 680 PWs) bands (ev): 3.8311 3.9615 7.5548 7.5572 9.8684 9.9618 10.2924 10.4177 12.4429 12.7240 13.1364 13.3017 14.3547 14.4452 14.8033 15.4086 19.6145 19.8393 24.3996 24.7064 25.9590 26.0352 k = 0.4143 0.4371-0.0000 ( 680 PWs) bands (ev): 3.8502 3.9874 7.5649 7.5676 9.8686 9.9607 10.2931 10.4360 12.3969 12.6923 13.1308 13.3111 14.3138 14.3924 14.7627 15.3793 19.6480 19.8818 24.5272 24.8378 26.0047 26.0822 k = 0.4095 0.4454-0.0000 ( 680 PWs) bands (ev): 3.8697 4.0137 7.5751 7.5781 9.8684 9.9585 10.2931 10.4549 12.3505 12.6603 13.1262 13.3225 14.2745 14.3413 14.7211 15.3491 19.6813 19.9236 24.6585 24.9711 26.0505 26.1289 k = 0.4048 0.4536-0.0000 ( 680 PWs) bands (ev): 3.8894 4.0400 7.5854 7.5886 9.8679 9.9550 10.2924 10.4744 12.3040 12.6283 13.1226 13.3360 14.2370 14.2926 14.6783 15.3184 19.7144 19.9644 24.7929 25.1057 26.0961 26.1750 k = 0.4000 0.4619-0.0000 ( 680 PWs) bands (ev): 3.9093 4.0661 7.5955 7.5990 9.8669 9.9504 10.2908 10.4943 12.2578 12.5968 13.1202 13.3517 14.2018 14.2465 14.6345 15.2872 19.7467 20.0041 24.9301 25.2411 26.1411 26.2201 k = 0.3952 0.4701-0.0000 ( 676 PWs) bands (ev): 3.9291 4.0921 7.6054 7.6093 9.8655 9.9448 10.2884 10.5143 12.2123 12.5662 13.1188 13.3696 14.1689 14.2035 14.5894 15.2560 19.7782 20.0424 25.0699 25.3771 26.1853 26.2640 k = 0.3905 0.4784-0.0000 ( 680 PWs) bands (ev): 3.9487 4.1175 7.6150 7.6193 9.8636 9.9381 10.2853 10.5343 12.1678 12.5370 13.1186 13.3896 14.1385 14.1638 14.5433 15.2250 19.8084 20.0788 25.2115 25.5126 26.2280 26.3062 k = 0.3857 0.4866-0.0000 ( 680 PWs) bands (ev): 3.9678 4.1422 7.6242 7.6289 9.8612 9.9306 10.2814 10.5540 12.1248 12.5095 13.1194 13.4118 14.1107 14.1274 14.4961 15.1944 19.8372 20.1133 25.3549 25.6475 26.2693 26.3468 k = 0.3810 0.4949-0.0000 ( 680 PWs) bands (ev): 3.9864 4.1660 7.6329 7.6380 9.8583 9.9225 10.2770 10.5732 12.0838 12.4840 13.1213 13.4364 14.0856 14.0945 14.4480 15.1645 19.8644 20.1457 25.4996 25.7808 26.3090 26.3856 k = 0.3762 0.5031-0.0000 ( 682 PWs) bands (ev): 4.0042 4.1887 7.6409 7.6465 9.8550 9.9139 10.2720 10.5915 12.0450 12.4606 13.1241 13.4632 14.0632 14.0649 14.3994 15.1358 19.8897 20.1756 25.6451 25.9117 26.3468 26.4225 k = 0.3714 0.5114-0.0000 ( 682 PWs) bands (ev): 4.0211 4.2101 7.6482 7.6543 9.8514 9.9051 10.2668 10.6088 12.0090 12.4398 13.1279 13.4923 14.0386 14.0434 14.3504 15.1085 19.9128 20.2028 25.7911 26.0392 26.3825 26.4574 k = 0.3667 0.5196-0.0000 ( 682 PWs) bands (ev): 4.0367 4.2298 7.6547 7.6613 9.8475 9.8964 10.2615 10.6247 11.9763 12.4215 13.1323 13.5238 14.0150 14.0262 14.3016 15.0831 19.9337 20.2274 25.9368 26.1619 26.4161 26.4906 k = 0.3619 0.5279-0.0000 ( 678 PWs) bands (ev): 4.0510 4.2477 7.6603 7.6674 9.8436 9.8880 10.2562 10.6390 11.9471 12.4058 13.1372 13.5575 13.9936 14.0116 14.2537 15.0598 19.9524 20.2491 26.0814 26.2779 26.4476 26.5227 k = 0.3571 0.5361-0.0000 ( 682 PWs) bands (ev): 4.0636 4.2635 7.6650 7.6726 9.8398 9.8801 10.2512 10.6514 11.9218 12.3927 13.1424 13.5935 13.9732 13.9992 14.2081 15.0391 19.9683 20.2676 26.2225 26.3844 26.4770 26.5550 k = 0.3524 0.5444-0.0000 ( 682 PWs) bands (ev): 4.0744 4.2770 7.6686 7.6767 9.8362 9.8731 10.2467 10.6618 11.9008 12.3823 13.1475 13.6316 13.9520 13.9892 14.1667 15.0214 19.9817 20.2830 26.3554 26.4759 26.5065 26.5918 k = 0.3476 0.5526-0.0000 ( 682 PWs) bands (ev): 4.0832 4.2879 7.6713 7.6798 9.8331 9.8673 10.2429 10.6699 11.8843 12.3745 13.1522 13.6717 13.9275 13.9813 14.1321 15.0070 19.9922 20.2951 26.4658 26.5227 26.5618 26.6456 k = 0.3429 0.5609-0.0000 ( 680 PWs) bands (ev): 4.0898 4.2960 7.6732 7.6820 9.8307 9.8629 10.2400 10.6756 11.8725 12.3690 13.1562 13.7134 13.8974 13.9757 14.1070 14.9964 19.9998 20.3039 26.5335 26.5450 26.6174 26.7332 k = 0.3381 0.5691-0.0000 ( 676 PWs) bands (ev): 4.0939 4.3011 7.6742 7.6832 9.8292 9.8601 10.2381 10.6790 11.8655 12.3659 13.1589 13.7550 13.8621 13.9723 14.0927 14.9899 20.0044 20.3091 26.5617 26.5652 26.6496 26.8359 k = 0.3333 0.5774-0.0000 ( 672 PWs) bands (ev): 4.0953 4.3028 7.6745 7.6837 9.8287 9.8592 10.2374 10.6801 11.8631 12.3649 13.1600 13.7820 13.8369 13.9712 14.0883 14.9877 20.0060 20.3109 26.5694 26.5756 26.6586 26.8915 k = 0.3333 0.5774-0.0000 ( 672 PWs) bands (ev): 4.0953 4.3028 7.6745 7.6837 9.8287 9.8592 10.2374 10.6801 11.8631 12.3649 13.1600 13.7820 13.8369 13.9712 14.0883 14.9877 20.0060 20.3109 26.5694 26.5756 26.6586 26.8915 k = 0.3286 0.5691-0.0000 ( 676 PWs) bands (ev): 4.0938 4.3010 7.6743 7.6833 9.8293 9.8602 10.2381 10.6791 11.8654 12.3659 13.1588 13.7525 13.8652 13.9724 14.0921 14.9899 20.0044 20.3091 26.5559 26.5610 26.6560 26.8440 k = 0.3238 0.5609-0.0000 ( 676 PWs) bands (ev): 4.0893 4.2955 7.6737 7.6824 9.8310 9.8632 10.2404 10.6761 11.8721 12.3685 13.1551 13.7029 13.9121 13.9761 14.1027 14.9969 19.9997 20.3038 26.5030 26.5080 26.6589 26.7808 k = 0.3190 0.5526-0.0000 ( 676 PWs) bands (ev): 4.0815 4.2861 7.6731 7.6812 9.8340 9.8685 10.2444 10.6715 11.8829 12.3726 13.1484 13.6492 13.9627 13.9825 14.1191 15.0086 19.9917 20.2948 26.3962 26.4300 26.6684 26.7516 k = 0.3143 0.5444-0.0000 ( 678 PWs) bands (ev): 4.0704 4.2726 7.6726 7.6799 9.8380 9.8758 10.2502 10.6655 11.8975 12.3779 13.1386 13.5937 13.9916 14.0149 14.1406 15.0249 19.9806 20.2823 26.2625 26.3315 26.6806 26.7449 k = 0.3095 0.5361-0.0000 ( 678 PWs) bands (ev): 4.0557 4.2550 7.6726 7.6788 9.8432 9.8853 10.2579 10.6585 11.9155 12.3841 13.1254 13.5376 14.0037 14.0680 14.1672 15.0458 19.9663 20.2661 26.1187 26.2194 26.6939 26.7477 k = 0.3048 0.5279-0.0000 ( 678 PWs) bands (ev): 4.0374 4.2332 7.6732 7.6781 9.8494 9.8967 10.2677 10.6508 11.9366 12.3909 13.1088 13.4814 14.0187 14.1212 14.1990 15.0712 19.9487 20.2464 25.9718 26.0984 26.7077 26.7545 k = 0.3000 0.5196-0.0000 ( 672 PWs) bands (ev): 4.0154 4.2070 7.6750 7.6781 9.8564 9.9100 10.2797 10.6427 11.9603 12.3980 13.0889 13.4256 14.0366 14.1731 14.2369 15.1008 19.9282 20.2235 25.8248 25.9720 26.7220 26.7634 k = 0.2952 0.5114-0.0000 ( 672 PWs) bands (ev): 3.9896 4.1765 7.6779 7.6790 9.8641 9.9249 10.2938 10.6347 11.9863 12.4048 13.0658 13.3707 14.0573 14.2224 14.2817 15.1345 19.9043 20.1967 25.6789 25.8421 26.7366 26.7738 k = 0.2905 0.5031-0.0000 ( 672 PWs) bands (ev): 3.9601 4.1417 7.6812 7.6824 9.8724 9.9413 10.3101 10.6268 12.0142 12.4110 13.0398 13.3173 14.0808 14.2692 14.3332 15.1718 19.8771 20.1665 25.5353 25.7108 26.7519 26.7853 k = 0.2857 0.4949-0.0000 ( 676 PWs) bands (ev): 3.9267 4.1027 7.6848 7.6885 9.8811 9.9589 10.3285 10.6196 12.0435 12.4160 13.0113 13.2658 14.1068 14.3150 14.3894 15.2127 19.8468 20.1328 25.3944 25.5792 26.7678 26.7977 k = 0.2810 0.4866-0.0000 ( 676 PWs) bands (ev): 3.8896 4.0596 7.6901 7.6966 9.8902 9.9775 10.3489 10.6131 12.0739 12.4191 12.9807 13.2170 14.1353 14.3614 14.4485 15.2568 19.8134 20.0958 25.2567 25.4483 26.7847 26.8114 k = 0.2762 0.4784-0.0000 ( 676 PWs) bands (ev): 3.8488 4.0124 7.6973 7.7066 9.8995 9.9966 10.3712 10.6076 12.1049 12.4197 12.9484 13.1716 14.1660 14.4091 14.5096 15.3038 19.7769 20.0554 25.1224 25.3189 26.8027 26.8263 k = 0.2714 0.4701-0.0000 ( 676 PWs) bands (ev): 3.8044 3.9615 7.7065 7.7189 9.9090 10.0161 10.3952 10.6035 12.1360 12.4169 12.9150 13.1303 14.1989 14.4585 14.5722 15.3536 19.7374 20.0118 24.9918 25.1915 26.8218 26.8425 k = 0.2667 0.4619-0.0000 ( 676 PWs) bands (ev): 3.7565 3.9068 7.7178 7.7334 9.9186 10.0356 10.4208 10.6008 12.1667 12.4098 12.8810 13.0940 14.2337 14.5096 14.6359 15.4059 19.6949 19.9651 24.8649 25.0665 26.8423 26.8601 k = 0.2619 0.4536-0.0000 ( 676 PWs) bands (ev): 3.7054 3.8488 7.7315 7.7501 9.9284 10.0548 10.4476 10.5997 12.1963 12.3978 12.8472 13.0633 14.2704 14.5625 14.7006 15.4605 19.6494 19.9151 24.7418 24.9441 26.8641 26.8790 k = 0.2571 0.4454-0.0000 ( 682 PWs) bands (ev): 3.6511 3.7875 7.7474 7.7692 9.9383 10.0732 10.4756 10.6006 12.2239 12.3804 12.8145 13.0387 14.3089 14.6169 14.7664 15.5171 19.6010 19.8621 24.6225 24.8245 26.8871 26.8992 k = 0.2524 0.4371-0.0000 ( 680 PWs) bands (ev): 3.5938 3.7234 7.7657 7.7906 9.9482 10.0907 10.5044 10.6035 12.2485 12.3571 12.7839 13.0205 14.3492 14.6728 14.8333 15.5758 19.5498 19.8062 24.5071 24.7080 26.9118 26.9210 k = 0.2476 0.4289-0.0000 ( 680 PWs) bands (ev): 3.5338 3.6565 7.7864 7.8142 9.9582 10.1067 10.5339 10.6087 12.2685 12.3283 12.7569 13.0086 14.3912 14.7300 14.9013 15.6362 19.4957 19.7473 24.3954 24.5945 26.9377 26.9441 k = 0.2429 0.4206-0.0000 ( 676 PWs) bands (ev): 3.4714 3.5872 7.8095 7.8401 9.9682 10.1211 10.5639 10.6163 12.2824 12.2942 12.7352 13.0024 14.4351 14.7884 14.9706 15.6983 19.4390 19.6855 24.2874 24.4840 26.9651 26.9684 k = 0.2381 0.4124-0.0000 ( 676 PWs) bands (ev): 3.4065 3.5157 7.8349 7.8682 9.9781 10.1336 10.5942 10.6263 12.2556 12.2881 12.7205 13.0013 14.4807 14.8479 15.0412 15.7619 19.3795 19.6209 24.1829 24.3765 26.9934 26.9938 k = 0.2333 0.4041-0.0000 ( 676 PWs) bands (ev): 3.3396 3.4423 7.8626 7.8984 9.9878 10.1439 10.6248 10.6390 12.2132 12.2846 12.7141 13.0045 14.5282 14.9083 15.1131 15.8269 19.3173 19.5536 24.0817 24.2719 27.0199 27.0227 k = 0.2286 0.3959-0.0000 ( 674 PWs) bands (ev): 3.2709 3.3672 7.8926 7.9307 9.9973 10.1520 10.6543 10.6555 12.1677 12.2713 12.7162 13.0113 14.5778 14.9697 15.1866 15.8933 19.2524 19.4835 23.9836 24.1700 27.0466 27.0527 k = 0.2238 0.3876-0.0000 ( 676 PWs) bands (ev): 3.2005 3.2906 7.9248 7.9649 10.0064 10.1576 10.6723 10.6864 12.1196 12.2492 12.7261 13.0209 14.6293 15.0319 15.2616 15.9609 19.1851 19.4109 23.8884 24.0707 27.0736 27.0829 k = 0.2190 0.3794-0.0000 ( 672 PWs) bands (ev): 3.1287 3.2129 7.9590 8.0009 10.0150 10.1608 10.6928 10.7175 12.0697 12.2197 12.7421 13.0327 14.6831 15.0949 15.3381 16.0297 19.1154 19.3359 23.7959 23.9738 27.1003 27.1132 k = 0.2143 0.3712-0.0000 ( 672 PWs) bands (ev): 3.0557 3.1343 7.9953 8.0387 10.0230 10.1616 10.7158 10.7488 12.0183 12.1844 12.7625 13.0464 14.7390 15.1588 15.4162 16.0995 19.0432 19.2583 23.7057 23.8790 27.1265 27.1429 k = 0.2095 0.3629-0.0000 ( 672 PWs) bands (ev): 2.9817 3.0549 8.0335 8.0782 10.0301 10.1601 10.7413 10.7804 11.9658 12.1448 12.7859 13.0614 14.7974 15.2236 15.4959 16.1704 18.9687 19.1784 23.6176 23.7860 27.1516 27.1718 k = 0.2048 0.3547-0.0000 ( 672 PWs) bands (ev): 2.9070 2.9750 8.0735 8.1193 10.0362 10.1562 10.7690 10.8125 11.9124 12.1020 12.8113 13.0775 14.8581 15.2894 15.5770 16.2421 18.8919 19.0962 23.5313 23.6947 27.1753 27.1993 k = 0.2000 0.3464-0.0000 ( 672 PWs) bands (ev): 2.8316 2.8947 8.1152 8.1617 10.0411 10.1502 10.7989 10.8453 11.8584 12.0568 12.8378 13.0943 14.9214 15.3562 15.6595 16.3145 18.8128 19.0117 23.4465 23.6048 27.1971 27.2250 k = 0.1952 0.3382-0.0000 ( 674 PWs) bands (ev): 2.7559 2.8143 8.1585 8.2055 10.0447 10.1422 10.8307 10.8789 11.8040 12.0098 12.8648 13.1117 14.9872 15.4241 15.7432 16.3877 18.7316 18.9252 23.3629 23.5161 27.2166 27.2485 k = 0.1905 0.3299-0.0000 ( 674 PWs) bands (ev): 2.6800 2.7339 8.2033 8.2506 10.0469 10.1323 10.8644 10.9136 11.7494 11.9615 12.8919 13.1295 15.0556 15.4933 15.8282 16.4614 18.6482 18.8365 23.2802 23.4282 27.2336 27.2694 k = 0.1857 0.3217-0.0000 ( 674 PWs) bands (ev): 2.6041 2.6538 8.2495 8.2967 10.0475 10.1207 10.8998 10.9495 11.6946 11.9124 12.9189 13.1475 15.1266 15.5637 15.9143 16.5356 18.5629 18.7459 23.1982 23.3409 27.2479 27.2875 k = 0.1810 0.3134-0.0000 ( 678 PWs) bands (ev): 2.5282 2.5740 8.2969 8.3438 10.0464 10.1074 10.9365 10.9869 11.6399 11.8630 12.9455 13.1655 15.2002 15.6355 16.0013 16.6100 18.4755 18.6534 23.1165 23.2539 27.2595 27.3027 k = 0.1762 0.3052-0.0000 ( 678 PWs) bands (ev): 2.4527 2.4948 8.3454 8.3918 10.0436 10.0926 10.9744 11.0259 11.5853 11.8137 12.9717 13.1835 15.2764 15.7086 16.0890 16.6846 18.3863 18.5592 23.0349 23.1672 27.2684 27.3149 k = 0.1714 0.2969-0.0000 ( 678 PWs) bands (ev): 2.3777 2.4162 8.3948 8.4404 10.0390 10.0766 11.0129 11.0666 11.5310 11.7651 12.9973 13.2014 15.3551 15.7831 16.1775 16.7591 18.2952 18.4634 22.9533 23.0804 27.2747 27.3243 k = 0.1667 0.2887-0.0000 ( 678 PWs) bands (ev): 2.3032 2.3384 8.4451 8.4897 10.0328 10.0594 11.0515 11.1091 11.4772 11.7181 13.0223 13.2191 15.4362 15.8591 16.2664 16.8335 18.2025 18.3661 22.8713 22.9934 27.2789 27.3310 k = 0.1619 0.2804-0.0000 ( 676 PWs) bands (ev): 2.2295 2.2616 8.4961 8.5394 10.0249 10.0412 11.0889 11.1532 11.4243 11.6739 13.0466 13.2366 15.5197 15.9365 16.3557 16.9073 18.1081 18.2675 22.7890 22.9059 27.2814 27.3355 k = 0.1571 0.2722-0.0000 ( 676 PWs) bands (ev): 2.1567 2.1859 8.5476 8.5894 10.0154 10.0221 11.1236 11.1982 11.3731 11.6343 13.0703 13.2537 15.6053 16.0151 16.4451 16.9805 18.0121 18.1678 22.7059 22.8179 27.2826 27.3382 k = 0.1524 0.2639-0.0000 ( 674 PWs) bands (ev): 2.0848 2.1113 8.5995 8.6394 10.0025 10.0046 11.1530 11.2395 11.3286 11.6022 13.0932 13.2704 15.6931 16.0951 16.5345 17.0524 17.9146 18.0674 22.6220 22.7292 27.2830 27.3396 k = 0.1476 0.2557-0.0000 ( 670 PWs) bands (ev): 2.0140 2.0380 8.6515 8.6894 9.9823 9.9925 11.1733 11.2437 11.3242 11.5813 13.1155 13.2867 15.7827 16.1763 16.6238 17.1227 17.8158 17.9669 22.5373 22.6396 27.2834 27.3403 k = 0.1429 0.2474-0.0000 ( 670 PWs) bands (ev): 1.9445 1.9661 8.7034 8.7391 9.9618 9.9793 11.1806 11.2029 11.3678 11.5757 13.1372 13.3026 15.8740 16.2585 16.7127 17.1901 17.7157 17.8671 22.4516 22.5492 27.2842 27.3410 k = 0.1381 0.2392-0.0000 ( 670 PWs) bands (ev): 1.8762 1.8957 8.7551 8.7883 9.9412 9.9653 11.1554 11.1731 11.4216 11.5874 13.1582 13.3180 15.9669 16.3418 16.8010 17.2526 17.6143 17.7703 22.3648 22.4579 27.2861 27.3420 k = 0.1333 0.2309-0.0000 ( 674 PWs) bands (ev): 1.8094 1.8269 8.8063 8.8367 9.9207 9.9506 11.1074 11.1524 11.4792 11.6150 13.1786 13.3328 16.0610 16.4258 16.8887 17.3048 17.5119 17.6816 22.2770 22.3656 27.2895 27.3442 k = 0.1286 0.2227-0.0000 ( 674 PWs) bands (ev): 1.7441 1.7597 8.8567 8.8842 9.9004 9.9355 11.0602 11.1221 11.5395 11.6549 13.1984 13.3472 16.1563 16.5105 16.9754 17.3325 17.4088 17.6155 22.1883 22.2724 27.2950 27.3480 k = 0.1238 0.2144-0.0000 ( 674 PWs) bands (ev): 1.6805 1.6943 8.9061 8.9305 9.8807 9.9202 11.0143 11.0861 11.6022 11.7036 13.2176 13.3611 16.2523 16.5954 17.0611 17.3050 17.3107 17.5968 22.0986 22.1784 27.3030 27.3539 k = 0.1190 0.2062-0.0000 ( 670 PWs) bands (ev): 1.6185 1.6308 8.9542 8.9753 9.8616 9.9050 10.9699 11.0468 11.6672 11.7587 13.2363 13.3745 16.3487 16.6800 17.1455 17.2014 17.2415 17.6238 22.0080 22.0835 27.3140 27.3624 k = 0.1143 0.1979-0.0000 ( 670 PWs) bands (ev): 1.5584 1.5692 9.0006 9.0182 9.8435 9.8900 10.9273 11.0060 11.7343 11.8184 13.2545 13.3874 16.4448 16.7626 17.0990 17.1507 17.2289 17.6711 21.9166 21.9879 27.3284 27.3739 k = 0.1095 0.1897-0.0000 ( 670 PWs) bands (ev): 1.5001 1.5095 9.0449 9.0590 9.8266 9.8757 10.8866 10.9650 11.8033 11.8818 13.2723 13.3998 16.5391 16.8351 17.0066 17.0530 17.3103 17.7250 21.8245 21.8917 27.3464 27.3888 k = 0.1048 0.1815-0.0000 ( 669 PWs) bands (ev): 1.4437 1.4520 9.0869 9.0974 9.8112 9.8621 10.8481 10.9245 11.8741 11.9480 13.2897 13.4118 16.6271 16.8374 16.9577 16.9837 17.3901 17.7808 21.7319 21.7950 27.3682 27.4073 k = 0.1000 0.1732-0.0000 ( 669 PWs) bands (ev): 1.3893 1.3965 9.1259 9.1329 9.7975 9.8496 10.8120 10.8853 11.9466 12.0166 13.3067 13.4233 16.6880 16.7503 16.8874 17.0498 17.4680 17.8364 21.6390 21.6981 27.3941 27.4298 k = 0.0952 0.1650-0.0000 ( 669 PWs) bands (ev): 1.3371 1.3432 9.1616 9.1653 9.7858 9.8384 10.7785 10.8476 12.0206 12.0871 13.3234 13.4345 16.6473 16.6616 16.9029 17.1311 17.5438 17.8907 21.5458 21.6009 27.4243 27.4564 k = 0.0905 0.1567-0.0000 ( 669 PWs) bands (ev): 1.2869 1.2922 9.1937 9.1944 9.7765 9.8285 10.7476 10.8120 12.0960 12.1593 13.3399 13.4454 16.5409 16.5727 16.9799 17.2150 17.6175 17.9434 21.4527 21.5039 27.4587 27.4872 k = 0.0857 0.1485-0.0000 ( 665 PWs) bands (ev): 1.2390 1.2435 9.2198 9.2216 9.7696 9.8203 10.7196 10.7787 12.1726 12.2328 13.3563 13.4560 16.4336 16.4690 17.0710 17.2993 17.6889 17.9940 21.3599 21.4072 27.4975 27.5223 k = 0.0810 0.1402-0.0000 ( 665 PWs) bands (ev): 1.1933 1.1971 9.2414 9.2453 9.7653 9.8137 10.6945 10.7480 12.2500 12.3072 13.3727 13.4664 16.3259 16.3611 17.1654 17.3828 17.7579 18.0423 21.2676 21.3110 27.5406 27.5619 k = 0.0762 0.1320-0.0000 ( 665 PWs) bands (ev): 1.1500 1.1531 9.2593 9.2645 9.7634 9.8086 10.6725 10.7202 12.3282 12.3822 13.3892 13.4768 16.2184 16.2518 17.2603 17.4653 17.8244 18.0881 21.1761 21.2156 27.5880 27.6058 k = 0.0714 0.1237-0.0000 ( 665 PWs) bands (ev): 1.1090 1.1116 9.2735 9.2794 9.7638 9.8050 10.6536 10.6953 12.4067 12.4575 13.4060 13.4873 16.1112 16.1422 17.3548 17.5463 17.8884 18.1313 21.0856 21.1213 27.6395 27.6540 k = 0.0667 0.1155-0.0000 ( 669 PWs) bands (ev): 1.0704 1.0725 9.2842 9.2903 9.7661 9.8026 10.6377 10.6735 12.4852 12.5325 13.4232 13.4981 16.0048 16.0329 17.4480 17.6253 17.9497 18.1717 20.9965 21.0284 27.6949 27.7063 k = 0.0619 0.1072-0.0000 ( 669 PWs) bands (ev): 1.0343 1.0360 9.2919 9.2976 9.7697 9.8012 10.6247 10.6548 12.5631 12.6068 13.4412 13.5094 15.8993 15.9245 17.5396 17.7021 18.0084 18.2094 20.9092 20.9374 27.7540 27.7626 k = 0.0571 0.0990-0.0000 ( 669 PWs) bands (ev): 1.0007 1.0020 9.2968 9.3019 9.7741 9.8005 10.6146 10.6393 12.6400 12.6798 13.4602 13.5214 15.7952 15.8173 17.6291 17.7760 18.0646 18.2442 20.8240 20.8485 27.8164 27.8225 k = 0.0524 0.0907-0.0000 ( 673 PWs) bands (ev): 0.9696 0.9706 9.2995 9.3038 9.7787 9.8001 10.6070 10.6267 12.7152 12.7507 13.4806 13.5346 15.6928 15.7119 17.7157 17.8466 18.1180 18.2762 20.7414 20.7622 27.8818 27.8858 k = 0.0476 0.0825-0.0000 ( 673 PWs) bands (ev): 0.9411 0.9419 9.3004 9.3039 9.7833 9.8000 10.6017 10.6170 12.7877 12.8186 13.5028 13.5493 15.5926 15.6087 17.7992 17.9134 18.1690 18.3055 20.6619 20.6792 27.9497 27.9518 k = 0.0429 0.0742-0.0000 ( 669 PWs) bands (ev): 0.9153 0.9158 9.3000 9.3026 9.7873 9.7999 10.5984 10.6098 12.8566 12.8826 13.5271 13.5659 15.4953 15.5084 17.8789 17.9758 18.2174 18.3320 20.5859 20.5999 28.0195 28.0202 k = 0.0381 0.0660-0.0000 ( 669 PWs) bands (ev): 0.8920 0.8924 9.2986 9.3005 9.7907 9.7997 10.5966 10.6048 12.9208 12.9417 13.5539 13.5850 15.4014 15.4118 17.9537 18.0330 18.2631 18.3559 20.5142 20.5251 28.0900 28.0902 k = 0.0333 0.0577-0.0000 ( 669 PWs) bands (ev): 0.8715 0.8717 9.2965 9.2979 9.7933 9.7995 10.5961 10.6017 12.9790 12.9949 13.5832 13.6068 15.3119 15.3198 18.0228 18.0845 18.3058 18.3773 20.4475 20.4556 28.1602 28.1611 k = 0.0286 0.0495-0.0000 ( 669 PWs) bands (ev): 0.8536 0.8538 9.2942 9.2950 9.7952 9.7992 10.5965 10.6000 13.0302 13.0414 13.6146 13.6312 15.2280 15.2336 18.0852 18.1300 18.3451 18.3965 20.3866 20.3922 28.2297 28.2308 k = 0.0238 0.0412-0.0000 ( 669 PWs) bands (ev): 0.8384 0.8385 9.2918 9.2923 9.7965 9.7988 10.5974 10.5994 13.0735 13.0805 13.6472 13.6578 15.1512 15.1548 18.1396 18.1691 18.3802 18.4139 20.3324 20.3359 28.2967 28.2978 k = 0.0190 0.0330-0.0000 ( 669 PWs) bands (ev): 0.8260 0.8261 9.2896 9.2899 9.7973 9.7985 10.5985 10.5996 13.1084 13.1122 13.6792 13.6851 15.0832 15.0853 18.1848 18.2016 18.4104 18.4296 20.2860 20.2879 28.3589 28.3598 k = 0.0143 0.0247-0.0000 ( 669 PWs) bands (ev): 0.8163 0.8163 9.2877 9.2878 9.7977 9.7982 10.5996 10.6001 13.1348 13.1365 13.7085 13.7111 15.0263 15.0273 18.2197 18.2275 18.4347 18.4435 20.2483 20.2492 28.4136 28.4141 k = 0.0095 0.0165-0.0000 ( 669 PWs) bands (ev): 0.8094 0.8094 9.2862 9.2863 9.7978 9.7979 10.6005 10.6006 13.1531 13.1536 13.7321 13.7329 14.9830 14.9833 18.2441 18.2465 18.4523 18.4551 20.2204 20.2207 28.4570 28.4572 k = 0.0048 0.0082-0.0000 ( 667 PWs) bands (ev): 0.8052 0.8052 9.2853 9.2853 9.7978 9.7978 10.6011 10.6011 13.1638 13.1638 13.7475 13.7476 14.9558 14.9559 18.2581 18.2584 18.4628 18.4631 20.2032 20.2033 28.4852 28.4853 k = 0.0000 0.0000 0.0000 ( 665 PWs) bands (ev): 0.8039 0.8039 9.2850 9.2850 9.7978 9.7978 10.6013 10.6013 13.1672 13.1672 13.7528 13.7528 14.9465 14.9465 18.2625 18.2625 18.4661 18.4661 20.1974 20.1974 28.4951 28.4951 k = 0.0000 0.0000 0.0000 ( 665 PWs) bands (ev): 0.8039 0.8039 9.2850 9.2850 9.7978 9.7978 10.6013 10.6013 13.1672 13.1672 13.7528 13.7528 14.9465 14.9465 18.2625 18.2625 18.4661 18.4661 20.1974 20.1974 28.4951 28.4951 k = 0.0000 0.0000 0.0095 ( 671 PWs) bands (ev): 0.8054 0.8054 9.2851 9.2851 9.7929 9.8039 10.6019 10.6019 13.1648 13.1648 13.7325 13.7678 14.9428 14.9428 18.2470 18.2801 18.4668 18.4668 20.2009 20.2009 28.4989 28.4989 k = 0.0000 0.0000 0.0190 ( 671 PWs) bands (ev): 0.8102 0.8102 9.2853 9.2853 9.7892 9.8114 10.6037 10.6037 13.1577 13.1577 13.7070 13.7775 14.9321 14.9321 18.2339 18.2996 18.4689 18.4689 20.2111 20.2111 28.5103 28.5103 k = 0.0000 0.0000 0.0286 ( 671 PWs) bands (ev): 0.8182 0.8182 9.2856 9.2856 9.7868 9.8200 10.6068 10.6068 13.1459 13.1459 13.6766 13.7818 14.9144 14.9144 18.2230 18.3210 18.4724 18.4724 20.2280 20.2280 28.5291 28.5291 k = 0.0000 0.0000 0.0381 ( 671 PWs) bands (ev): 0.8294 0.8294 9.2860 9.2860 9.7856 9.8300 10.6111 10.6111 13.1295 13.1295 13.6414 13.7808 14.8901 14.8901 18.2144 18.3439 18.4772 18.4772 20.2514 20.2514 28.5554 28.5554 k = 0.0000 0.0000 0.0476 ( 671 PWs) bands (ev): 0.8438 0.8438 9.2862 9.2862 9.7856 9.8412 10.6165 10.6165 13.1086 13.1086 13.6017 13.7745 14.8596 14.8596 18.2081 18.3680 18.4832 18.4832 20.2808 20.2808 28.5888 28.5888 k = 0.0000 0.0000 0.0571 ( 671 PWs) bands (ev): 0.8614 0.8614 9.2863 9.2863 9.7867 9.8537 10.6231 10.6231 13.0835 13.0835 13.5577 13.7629 14.8235 14.8235 18.2040 18.3931 18.4902 18.4902 20.3160 20.3160 28.6290 28.6290 k = 0.0000 0.0000 0.0667 ( 671 PWs) bands (ev): 0.8821 0.8821 9.2860 9.2860 9.7891 9.8674 10.6309 10.6309 13.0542 13.0542 13.5098 13.7464 14.7824 14.7824 18.2019 18.4188 18.4981 18.4981 20.3565 20.3565 28.6758 28.6758 k = 0.0000 0.0000 0.0762 ( 665 PWs) bands (ev): 0.9059 0.9059 9.2851 9.2851 9.7926 9.8824 10.6398 10.6398 13.0210 13.0210 13.4583 13.7251 14.7370 14.7370 18.2016 18.4448 18.5067 18.5067 20.4018 20.4018 28.7288 28.7288 k = 0.0000 0.0000 0.0857 ( 665 PWs) bands (ev): 0.9329 0.9329 9.2835 9.2835 9.7972 9.8987 10.6497 10.6497 12.9842 12.9842 13.4034 13.6993 14.6879 14.6879 18.2029 18.4707 18.5156 18.5156 20.4515 20.4515 28.7872 28.7872 k = 0.0000 0.0000 0.0952 ( 665 PWs) bands (ev): 0.9629 0.9629 9.2809 9.2809 9.8029 9.9162 10.6606 10.6606 12.9441 12.9441 13.3454 13.6691 14.6360 14.6360 18.2056 18.4962 18.5248 18.5248 20.5051 20.5051 28.8506 28.8506 k = 0.0000 0.0000 0.1047 ( 665 PWs) bands (ev): 0.9961 0.9961 9.2769 9.2769 9.8097 9.9349 10.6724 10.6724 12.9008 12.9008 13.2847 13.6350 14.5820 14.5820 18.2092 18.5210 18.5339 18.5339 20.5621 20.5621 28.9181 28.9181 k = 0.0000 0.0000 0.1143 ( 665 PWs) bands (ev): 1.0322 1.0322 9.2714 9.2714 9.8175 9.9548 10.6852 10.6852 12.8548 12.8548 13.2216 13.5973 14.5268 14.5268 18.2137 18.5426 18.5426 18.5447 20.6222 20.6222 28.9887 28.9887 k = 0.0000 0.0000 0.1238 ( 665 PWs) bands (ev): 1.0714 1.0714 9.2640 9.2640 9.8263 9.9759 10.6987 10.6987 12.8064 12.8064 13.1564 13.5562 14.4712 14.4712 18.2186 18.5507 18.5507 18.5671 20.6850 20.6850 29.0614 29.0614 k = 0.0000 0.0000 0.1333 ( 665 PWs) bands (ev): 1.1135 1.1135 9.2542 9.2542 9.8361 9.9981 10.7129 10.7129 12.7559 12.7559 13.0894 13.5122 14.4159 14.4159 18.2238 18.5579 18.5579 18.5878 20.7500 20.7500 29.1345 29.1345 k = 0.0000 0.0000 0.1428 ( 665 PWs) bands (ev): 1.1586 1.1586 9.2419 9.2419 9.8468 10.0215 10.7277 10.7277 12.7037 12.7037 13.0207 13.4655 14.3618 14.3618 18.2288 18.5640 18.5640 18.6067 20.8169 20.8169 29.2062 29.2062 k = 0.0000 0.0000 0.1523 ( 665 PWs) bands (ev): 1.2066 1.2066 9.2266 9.2266 9.8584 10.0461 10.7429 10.7429 12.6502 12.6502 12.9509 13.4164 14.3096 14.3096 18.2335 18.5688 18.5688 18.6235 20.8855 20.8855 29.2744 29.2744 k = 0.0000 0.0000 0.1619 ( 665 PWs) bands (ev): 1.2575 1.2575 9.2079 9.2079 9.8708 10.0717 10.7585 10.7585 12.5960 12.5960 12.8799 13.3654 14.2599 14.2599 18.2377 18.5719 18.5719 18.6379 20.9556 20.9556 29.3366 29.3366 k = 0.0000 0.0000 0.1714 ( 677 PWs) bands (ev): 1.3111 1.3111 9.1854 9.1854 9.8841 10.0983 10.7742 10.7742 12.5413 12.5413 12.8082 13.3126 14.2132 14.2132 18.2410 18.5731 18.5731 18.6498 21.0268 21.0268 29.3903 29.3903 k = 0.0000 0.0000 0.1809 ( 677 PWs) bands (ev): 1.3675 1.3675 9.1588 9.1588 9.8981 10.1260 10.7899 10.7899 12.4867 12.4867 12.7360 13.2585 14.1704 14.1704 18.2433 18.5725 18.5725 18.6592 21.0990 21.0990 29.4334 29.4334 k = 0.0000 0.0000 0.1904 ( 677 PWs) bands (ev): 1.4267 1.4267 9.1278 9.1278 9.9129 10.1547 10.8054 10.8054 12.4328 12.4328 12.6634 13.2033 14.1318 14.1318 18.2446 18.5697 18.5697 18.6658 21.1720 21.1720 29.4639 29.4639 k = 0.0000 0.0000 0.2000 ( 671 PWs) bands (ev): 1.4885 1.4885 9.0921 9.0921 9.9283 10.1843 10.8205 10.8205 12.3799 12.3799 12.5907 13.1472 14.0980 14.0980 18.2446 18.5648 18.5648 18.6697 21.2460 21.2460 29.4810 29.4810 k = 0.0000 0.0000 0.2095 ( 671 PWs) bands (ev): 1.5529 1.5529 9.0512 9.0512 9.9444 10.2148 10.8349 10.8349 12.3287 12.3287 12.5181 13.0905 14.0691 14.0691 18.2432 18.5575 18.5575 18.6707 21.3204 21.3204 29.4821 29.4821 k = 0.0000 0.0000 0.2190 ( 671 PWs) bands (ev): 1.6199 1.6199 9.0052 9.0052 9.9611 10.2461 10.8483 10.8483 12.2796 12.2796 12.4458 13.0334 14.0456 14.0456 18.2404 18.5479 18.5479 18.6689 21.3954 21.3954 29.4667 29.4667 k = 0.0000 0.0000 0.2285 ( 671 PWs) bands (ev): 1.6893 1.6893 8.9537 8.9537 9.9783 10.2783 10.8605 10.8605 12.2332 12.2332 12.3739 12.9761 14.0275 14.0275 18.2360 18.5359 18.5359 18.6643 21.4708 21.4708 29.4339 29.4339 k = 0.0000 0.0000 0.2380 ( 671 PWs) bands (ev): 1.7612 1.7612 8.8968 8.8968 9.9960 10.3112 10.8713 10.8713 12.1899 12.1899 12.3026 12.9190 14.0150 14.0150 18.2302 18.5216 18.5216 18.6569 21.5468 21.5468 29.3836 29.3836 k = 0.0000 0.0000 0.2476 ( 671 PWs) bands (ev): 1.8354 1.8354 8.8343 8.8343 10.0142 10.3447 10.8803 10.8803 12.1502 12.1502 12.2321 12.8620 14.0082 14.0082 18.2230 18.5050 18.5050 18.6468 21.6231 21.6231 29.3159 29.3159 k = 0.0000 0.0000 0.2571 ( 659 PWs) bands (ev): 1.9120 1.9120 8.7664 8.7664 10.0328 10.3789 10.8873 10.8873 12.1144 12.1144 12.1626 12.8054 14.0070 14.0070 18.2144 18.4863 18.4863 18.6343 21.7000 21.7000 29.2318 29.2318 k = 0.0000 0.0000 0.2666 ( 659 PWs) bands (ev): 1.9907 1.9907 8.6932 8.6932 10.0517 10.4136 10.8920 10.8920 12.0828 12.0828 12.0940 12.7494 14.0113 14.0113 18.2044 18.4653 18.4653 18.6191 21.7772 21.7772 29.1324 29.1324 k = 0.0000 0.0000 0.2761 ( 659 PWs) bands (ev): 2.0715 2.0715 8.6148 8.6148 10.0709 10.4487 10.8942 10.8942 12.0267 12.0558 12.0558 12.6940 14.0210 14.0210 18.1930 18.4424 18.4424 18.6016 21.8549 21.8549 29.0194 29.0194 k = 0.0000 0.0000 0.2857 ( 659 PWs) bands (ev): 2.1543 2.1543 8.5315 8.5315 10.0905 10.4842 10.8939 10.8939 11.9608 12.0334 12.0334 12.6393 14.0358 14.0358 18.1805 18.4176 18.4176 18.5820 21.9330 21.9330 28.8943 28.8943 k = 0.0000 0.0000 0.2952 ( 671 PWs) bands (ev): 2.2390 2.2390 8.4436 8.4436 10.1102 10.5199 10.8909 10.8909 11.8964 12.0156 12.0156 12.5855 14.0555 14.0555 18.1668 18.3909 18.3909 18.5601 22.0116 22.0116 28.7587 28.7587 k = 0.0000 0.0000 0.3047 ( 671 PWs) bands (ev): 2.3255 2.3255 8.3514 8.3514 10.1302 10.5558 10.8853 10.8853 11.8336 12.0024 12.0024 12.5327 14.0796 14.0796 18.1523 18.3630 18.3630 18.5366 22.0908 22.0908 28.6145 28.6145 k = 0.0000 0.0000 0.3142 ( 671 PWs) bands (ev): 2.4137 2.4137 8.2554 8.2554 10.1503 10.5915 10.8773 10.8773 11.7727 11.9936 11.9936 12.4809 14.1079 14.1079 18.1372 18.3339 18.3339 18.5114 22.1706 22.1706 28.4630 28.4630 k = 0.0000 0.0000 0.3237 ( 683 PWs) bands (ev): 2.5035 2.5035 8.1558 8.1558 10.1706 10.6271 10.8671 10.8671 11.7138 11.9890 11.9890 12.4301 14.1399 14.1399 18.1213 18.3036 18.3036 18.4848 22.2508 22.2508 28.3053 28.3053 k = 0.0000 0.0000 0.3333 ( 683 PWs) bands (ev): 2.5947 2.5947 8.0532 8.0532 10.1910 10.6623 10.8549 10.8549 11.6571 11.9881 11.9881 12.3804 14.1751 14.1751 18.1052 18.2726 18.2726 18.4570 22.3318 22.3318 28.1433 28.1433 k = 0.0000 0.0000 0.3428 ( 683 PWs) bands (ev): 2.6871 2.6871 7.9481 7.9481 10.2115 10.6967 10.8410 10.8410 11.6030 11.9905 11.9905 12.3319 14.2132 14.2132 18.0889 18.2410 18.2410 18.4283 22.4136 22.4136 27.9777 27.9777 k = 0.0000 0.0000 0.3523 ( 677 PWs) bands (ev): 2.7807 2.7807 7.8408 7.8408 10.2321 10.7301 10.8258 10.8258 11.5516 11.9958 11.9958 12.2844 14.2536 14.2536 18.0726 18.2091 18.2091 18.3988 22.4962 22.4962 27.8097 27.8097 k = 0.0000 0.0000 0.3618 ( 677 PWs) bands (ev): 2.8750 2.8750 7.7319 7.7319 10.2529 10.7620 10.8095 10.8095 11.5036 12.0036 12.0036 12.2381 14.2957 14.2957 18.0564 18.1772 18.1772 18.3688 22.5794 22.5794 27.6401 27.6401 k = 0.0000 0.0000 0.3714 ( 677 PWs) bands (ev): 2.9700 2.9700 7.6218 7.6218 10.2737 10.7919 10.7926 10.7926 11.4593 12.0134 12.0134 12.1929 14.3391 14.3391 18.0405 18.1454 18.1454 18.3384 22.6635 22.6635 27.4699 27.4699 k = 0.0000 0.0000 0.3809 ( 677 PWs) bands (ev): 3.0654 3.0654 7.5111 7.5111 10.2946 10.7754 10.7754 10.8188 11.4197 12.0248 12.0248 12.1488 14.3832 14.3832 18.0252 18.1140 18.1140 18.3078 22.7484 22.7484 27.2998 27.2998 k = 0.0000 0.0000 0.3904 ( 677 PWs) bands (ev): 3.1608 3.1608 7.4003 7.4003 10.3157 10.7581 10.7581 10.8419 11.3855 12.0373 12.0373 12.1056 14.4276 14.4276 18.0106 18.0834 18.0834 18.2774 22.8340 22.8340 27.1306 27.1306 k = 0.0000 0.0000 0.3999 ( 671 PWs) bands (ev): 3.2559 3.2559 7.2901 7.2901 10.3369 10.7410 10.7410 10.8599 11.3581 12.0506 12.0506 12.0635 14.4717 14.4717 17.9969 18.0537 18.0537 18.2474 22.9203 22.9203 26.9632 26.9632 k = 0.0000 0.0000 0.4094 ( 671 PWs) bands (ev): 3.3503 3.3503 7.1809 7.1809 10.3583 10.7244 10.7244 10.8716 11.3386 12.0223 12.0643 12.0643 14.5149 14.5149 17.9843 18.0251 18.0251 18.2178 23.0072 23.0072 26.7984 26.7984 k = 0.0000 0.0000 0.4190 ( 671 PWs) bands (ev): 3.4433 3.4433 7.0736 7.0736 10.3799 10.7084 10.7084 10.8760 11.3279 11.9820 12.0781 12.0781 14.5568 14.5568 17.9729 17.9979 17.9979 18.1889 23.0944 23.0944 26.6369 26.6369 k = 0.0000 0.0000 0.4285 ( 671 PWs) bands (ev): 3.5344 3.5344 6.9690 6.9690 10.4017 10.6933 10.6933 10.8727 11.3263 11.9424 12.0917 12.0917 14.5969 14.5969 17.9629 17.9723 17.9723 18.1609 23.1817 23.1817 26.4798 26.4798 k = 0.0000 0.0000 0.4380 ( 665 PWs) bands (ev): 3.6230 3.6230 6.8679 6.8679 10.4238 10.6792 10.6792 10.8624 11.3332 11.9036 12.1048 12.1048 14.6348 14.6348 17.9485 17.9485 17.9544 18.1339 23.2686 23.2686 26.3279 26.3279 k = 0.0000 0.0000 0.4475 ( 659 PWs) bands (ev): 3.7080 3.7080 6.7713 6.7713 10.4463 10.6662 10.6662 10.8462 11.3474 11.8655 12.1172 12.1172 14.6700 14.6700 17.9267 17.9267 17.9475 18.1082 23.3545 23.3545 26.1825 26.1825 k = 0.0000 0.0000 0.4570 ( 659 PWs) bands (ev): 3.7884 3.7884 6.6804 6.6804 10.4691 10.6545 10.6545 10.8257 11.3672 11.8280 12.1287 12.1287 14.7020 14.7020 17.9070 17.9070 17.9424 18.0839 23.4383 23.4383 26.0449 26.0449 k = 0.0000 0.0000 0.4666 ( 659 PWs) bands (ev): 3.8630 3.8630 6.5965 6.5965 10.4923 10.6442 10.6442 10.8021 11.3913 11.7910 12.1390 12.1390 14.7305 14.7305 17.8897 17.8897 17.9392 18.0611 23.5189 23.5189 25.9169 25.9169 k = 0.0000 0.0000 0.4761 ( 659 PWs) bands (ev): 3.9302 3.9302 6.5212 6.5212 10.5160 10.6353 10.6353 10.7767 11.4185 11.7545 12.1480 12.1480 14.7553 14.7553 17.8747 17.8747 17.9380 18.0400 23.5945 23.5945 25.8004 25.8004 k = 0.0000 0.0000 0.4856 ( 659 PWs) bands (ev): 3.9886 3.9886 6.4562 6.4562 10.5402 10.6279 10.6279 10.7501 11.4479 11.7184 12.1556 12.1556 14.7759 14.7759 17.8624 17.8624 17.9387 18.0207 23.6629 23.6629 25.6981 25.6981 k = 0.0000 0.0000 0.4951 ( 659 PWs) bands (ev): 4.0364 4.0364 6.4031 6.4031 10.5649 10.6221 10.6221 10.7231 11.4790 11.6827 12.1616 12.1616 14.7922 14.7922 17.8527 17.8527 17.9416 18.0032 23.7213 23.7213 25.6130 25.6130 k = 0.0000 0.0000 0.5047 ( 660 PWs) bands (ev): 4.0721 4.0721 6.3637 6.3637 10.5901 10.6180 10.6180 10.6959 11.5113 11.6475 12.1660 12.1660 14.8040 14.8040 17.8457 17.8457 17.9466 17.9877 23.7664 23.7664 25.5487 25.5487 k = 0.0000 0.0000 0.5142 ( 660 PWs) bands (ev): 4.0941 4.0941 6.3394 6.3394 10.6155 10.6155 10.6159 10.6689 11.5444 11.6127 12.1686 12.1686 14.8111 14.8111 17.8415 17.8415 17.9537 17.9743 23.7952 23.7952 25.5083 25.5083 k = 0.0000 0.0000 0.5237 ( 660 PWs) bands (ev): 4.1016 4.1016 6.3312 6.3312 10.6146 10.6146 10.6422 10.6422 11.5783 11.5783 12.1695 12.1695 14.8135 14.8135 17.8400 17.8400 17.9629 17.9629 23.8051 23.8051 25.4946 25.4946 k = 0.0000 0.0000 0.5237 ( 660 PWs) bands (ev): 4.1016 4.1016 6.3312 6.3312 10.6146 10.6146 10.6422 10.6422 11.5783 11.5783 12.1695 12.1695 14.8135 14.8135 17.8400 17.8400 17.9629 17.9629 23.8051 23.8051 25.4946 25.4946 k = 0.0082 0.0047 0.5237 ( 660 PWs) bands (ev): 4.1014 4.1014 6.3329 6.3329 10.6139 10.6139 10.6422 10.6422 11.5779 11.5779 12.1695 12.1695 14.8139 14.8139 17.8400 17.8400 17.9630 17.9630 23.8064 23.8064 25.4981 25.4981 k = 0.0164 0.0095 0.5237 ( 662 PWs) bands (ev): 4.1011 4.1011 6.3380 6.3380 10.6117 10.6117 10.6422 10.6422 11.5767 11.5767 12.1695 12.1695 14.8153 14.8153 17.8395 17.8395 17.9636 17.9636 23.8104 23.8104 25.5089 25.5089 k = 0.0246 0.0142 0.5237 ( 666 PWs) bands (ev): 4.1005 4.1005 6.3465 6.3465 10.6080 10.6080 10.6423 10.6423 11.5746 11.5746 12.1696 12.1696 14.8177 14.8177 17.8377 17.8377 17.9657 17.9657 23.8169 23.8169 25.5266 25.5266 k = 0.0328 0.0189 0.5237 ( 666 PWs) bands (ev): 4.0997 4.0997 6.3584 6.3584 10.6028 10.6028 10.6425 10.6425 11.5718 11.5718 12.1700 12.1700 14.8209 14.8209 17.8334 17.8334 17.9706 17.9706 23.8260 23.8260 25.5513 25.5513 k = 0.0410 0.0237 0.5237 ( 666 PWs) bands (ev): 4.0987 4.0987 6.3736 6.3736 10.5959 10.5959 10.6428 10.6428 11.5680 11.5680 12.1708 12.1708 14.8250 14.8250 17.8254 17.8254 17.9797 17.9797 23.8374 23.8374 25.5826 25.5826 k = 0.0492 0.0284 0.5237 ( 666 PWs) bands (ev): 4.0975 4.0975 6.3922 6.3922 10.5874 10.5874 10.6432 10.6432 11.5632 11.5632 12.1722 12.1722 14.8299 14.8299 17.8131 17.8131 17.9934 17.9934 23.8510 23.8510 25.6204 25.6204 k = 0.0574 0.0331 0.5237 ( 666 PWs) bands (ev): 4.0961 4.0961 6.4140 6.4140 10.5773 10.5773 10.6436 10.6436 11.5574 11.5574 12.1746 12.1746 14.8356 14.8356 17.7967 17.7967 18.0120 18.0120 23.8667 23.8667 25.6643 25.6643 k = 0.0656 0.0379 0.5237 ( 666 PWs) bands (ev): 4.0945 4.0945 6.4390 6.4390 10.5655 10.5655 10.6440 10.6440 11.5505 11.5505 12.1782 12.1782 14.8420 14.8420 17.7766 17.7766 18.0351 18.0351 23.8842 23.8842 25.7140 25.7140 k = 0.0738 0.0426 0.5237 ( 666 PWs) bands (ev): 4.0927 4.0927 6.4671 6.4671 10.5521 10.5521 10.6443 10.6443 11.5425 11.5425 12.1832 12.1832 14.8491 14.8491 17.7533 17.7533 18.0623 18.0623 23.9032 23.9032 25.7691 25.7691 k = 0.0820 0.0473 0.5237 ( 666 PWs) bands (ev): 4.0907 4.0907 6.4983 6.4983 10.5372 10.5372 10.6445 10.6445 11.5333 11.5333 12.1901 12.1901 14.8567 14.8567 17.7274 17.7274 18.0932 18.0932 23.9234 23.9234 25.8291 25.8291 k = 0.0902 0.0521 0.5237 ( 666 PWs) bands (ev): 4.0886 4.0886 6.5325 6.5325 10.5207 10.5207 10.6446 10.6446 11.5229 11.5229 12.1990 12.1990 14.8649 14.8649 17.6995 17.6995 18.1276 18.1276 23.9446 23.9446 25.8935 25.8935 k = 0.0984 0.0568 0.5237 ( 668 PWs) bands (ev): 4.0863 4.0863 6.5696 6.5696 10.5027 10.5027 10.6443 10.6443 11.5113 11.5113 12.2103 12.2103 14.8735 14.8735 17.6699 17.6699 18.1651 18.1651 23.9662 23.9662 25.9619 25.9619 k = 0.1066 0.0615 0.5237 ( 668 PWs) bands (ev): 4.0839 4.0839 6.6094 6.6094 10.4832 10.4832 10.6437 10.6437 11.4986 11.4986 12.2240 12.2240 14.8826 14.8826 17.6391 17.6391 18.2055 18.2055 23.9880 23.9880 26.0337 26.0337 k = 0.1148 0.0663 0.5237 ( 668 PWs) bands (ev): 4.0814 4.0814 6.6519 6.6519 10.4624 10.4624 10.6428 10.6428 11.4849 11.4849 12.2404 12.2404 14.8919 14.8919 17.6076 17.6076 18.2485 18.2485 24.0095 24.0095 26.1082 26.1082 k = 0.1230 0.0710 0.5237 ( 670 PWs) bands (ev): 4.0788 4.0788 6.6969 6.6969 10.4403 10.4403 10.6415 10.6415 11.4703 11.4703 12.2596 12.2596 14.9015 14.9015 17.5756 17.5756 18.2940 18.2940 24.0300 24.0300 26.1849 26.1849 k = 0.1311 0.0757 0.5237 ( 670 PWs) bands (ev): 4.0761 4.0761 6.7442 6.7442 10.4169 10.4169 10.6398 10.6398 11.4550 11.4550 12.2816 12.2816 14.9113 14.9113 17.5437 17.5437 18.3416 18.3416 24.0493 24.0493 26.2630 26.2630 k = 0.1393 0.0805 0.5237 ( 666 PWs) bands (ev): 4.0734 4.0734 6.7937 6.7937 10.3924 10.3924 10.6376 10.6376 11.4392 11.4392 12.3065 12.3065 14.9212 14.9212 17.5121 17.5121 18.3913 18.3913 24.0666 24.0666 26.3419 26.3419 k = 0.1475 0.0852 0.5237 ( 666 PWs) bands (ev): 4.0706 4.0706 6.8452 6.8452 10.3669 10.3669 10.6350 10.6350 11.4231 11.4231 12.3342 12.3342 14.9312 14.9312 17.4810 17.4810 18.4428 18.4428 24.0814 24.0814 26.4206 26.4206 k = 0.1557 0.0899 0.5237 ( 666 PWs) bands (ev): 4.0677 4.0677 6.8986 6.8986 10.3405 10.3405 10.6319 10.6319 11.4070 11.4070 12.3647 12.3647 14.9412 14.9412 17.4508 17.4508 18.4960 18.4960 24.0929 24.0929 26.4984 26.4984 k = 0.1639 0.0946 0.5237 ( 666 PWs) bands (ev): 4.0649 4.0649 6.9535 6.9535 10.3132 10.3132 10.6285 10.6285 11.3911 11.3911 12.3980 12.3980 14.9511 14.9511 17.4218 17.4218 18.5505 18.5505 24.1005 24.1005 26.5743 26.5743 k = 0.1721 0.0994 0.5237 ( 666 PWs) bands (ev): 4.0620 4.0620 7.0097 7.0097 10.2852 10.2852 10.6246 10.6246 11.3758 11.3758 12.4340 12.4340 14.9609 14.9609 17.3942 17.3942 18.6063 18.6063 24.1035 24.1035 26.6474 26.6474 k = 0.1803 0.1041 0.5237 ( 672 PWs) bands (ev): 4.0591 4.0591 7.0670 7.0670 10.2566 10.2566 10.6204 10.6204 11.3613 11.3613 12.4725 12.4725 14.9705 14.9705 17.3682 17.3682 18.6632 18.6632 24.1010 24.1010 26.7165 26.7165 k = 0.1885 0.1088 0.5237 ( 672 PWs) bands (ev): 4.0563 4.0563 7.1251 7.1251 10.2275 10.2275 10.6160 10.6160 11.3480 11.3480 12.5135 12.5135 14.9800 14.9800 17.3440 17.3440 18.7209 18.7209 24.0923 24.0923 26.7807 26.7807 k = 0.1967 0.1136 0.5237 ( 676 PWs) bands (ev): 4.0535 4.0535 7.1837 7.1837 10.1980 10.1980 10.6114 10.6114 11.3362 11.3362 12.5568 12.5568 14.9892 14.9892 17.3219 17.3219 18.7794 18.7794 24.0766 24.0766 26.8386 26.8386 k = 0.2049 0.1183 0.5237 ( 676 PWs) bands (ev): 4.0508 4.0508 7.2425 7.2425 10.1682 10.1682 10.6066 10.6066 11.3262 11.3262 12.6022 12.6022 14.9981 14.9981 17.3019 17.3019 18.8384 18.8384 24.0533 24.0533 26.8894 26.8894 k = 0.2131 0.1230 0.5237 ( 676 PWs) bands (ev): 4.0481 4.0481 7.3012 7.3012 10.1382 10.1382 10.6016 10.6016 11.3185 11.3185 12.6498 12.6498 15.0067 15.0067 17.2842 17.2842 18.8978 18.8978 24.0214 24.0214 26.9317 26.9317 k = 0.2213 0.1278 0.5237 ( 676 PWs) bands (ev): 4.0455 4.0455 7.3594 7.3594 10.1080 10.1080 10.5965 10.5965 11.3135 11.3135 12.6993 12.6993 15.0150 15.0150 17.2688 17.2688 18.9573 18.9573 23.9802 23.9802 26.9648 26.9648 k = 0.2295 0.1325 0.5237 ( 676 PWs) bands (ev): 4.0429 4.0429 7.4167 7.4167 10.0779 10.0779 10.5912 10.5912 11.3117 11.3117 12.7505 12.7505 15.0228 15.0228 17.2558 17.2558 19.0169 19.0169 23.9293 23.9293 26.9879 26.9879 k = 0.2377 0.1372 0.5237 ( 676 PWs) bands (ev): 4.0405 4.0405 7.4729 7.4729 10.0478 10.0478 10.5858 10.5858 11.3136 11.3136 12.8033 12.8033 15.0302 15.0302 17.2452 17.2452 19.0764 19.0764 23.8680 23.8680 27.0005 27.0005 k = 0.2459 0.1420 0.5237 ( 676 PWs) bands (ev): 4.0382 4.0382 7.5275 7.5275 10.0177 10.0177 10.5800 10.5800 11.3197 11.3197 12.8576 12.8576 15.0372 15.0372 17.2371 17.2371 19.1355 19.1355 23.7961 23.7961 27.0025 27.0025 k = 0.2541 0.1467 0.5237 ( 676 PWs) bands (ev): 4.0359 4.0359 7.5802 7.5802 9.9879 9.9879 10.5737 10.5737 11.3306 11.3306 12.9131 12.9131 15.0437 15.0437 17.2314 17.2314 19.1943 19.1943 23.7132 23.7132 26.9939 26.9939 k = 0.2623 0.1514 0.5237 ( 680 PWs) bands (ev): 4.0338 4.0338 7.6307 7.6307 9.9584 9.9584 10.5669 10.5669 11.3468 11.3468 12.9697 12.9697 15.0496 15.0496 17.2281 17.2281 19.2525 19.2525 23.6195 23.6195 26.9753 26.9753 k = 0.2705 0.1562 0.5237 ( 680 PWs) bands (ev): 4.0318 4.0318 7.6788 7.6788 9.9292 9.9292 10.5594 10.5594 11.3689 11.3689 13.0273 13.0273 15.0549 15.0549 17.2271 17.2271 19.3099 19.3099 23.5151 23.5151 26.9474 26.9474 k = 0.2787 0.1609 0.5237 ( 676 PWs) bands (ev): 4.0299 4.0299 7.7241 7.7241 9.9003 9.9003 10.5510 10.5510 11.3972 11.3972 13.0856 13.0856 15.0595 15.0595 17.2285 17.2285 19.3665 19.3665 23.4004 23.4004 26.9112 26.9112 k = 0.2869 0.1656 0.5237 ( 672 PWs) bands (ev): 4.0282 4.0282 7.7664 7.7664 9.8720 9.8720 10.5416 10.5416 11.4322 11.4322 13.1444 13.1444 15.0635 15.0635 17.2320 17.2320 19.4221 19.4221 23.2760 23.2760 26.8675 26.8675 k = 0.2951 0.1704 0.5237 ( 672 PWs) bands (ev): 4.0266 4.0266 7.8056 7.8056 9.8441 9.8441 10.5312 10.5312 11.4741 11.4741 13.2036 13.2036 15.0667 15.0667 17.2375 17.2375 19.4766 19.4766 23.1426 23.1426 26.8174 26.8174 k = 0.3033 0.1751 0.5237 ( 672 PWs) bands (ev): 4.0251 4.0251 7.8416 7.8416 9.8168 9.8168 10.5198 10.5198 11.5230 11.5230 13.2629 13.2629 15.0690 15.0690 17.2450 17.2450 19.5298 19.5298 23.0010 23.0010 26.7619 26.7619 k = 0.3115 0.1798 0.5237 ( 672 PWs) bands (ev): 4.0238 4.0238 7.8744 7.8744 9.7902 9.7902 10.5073 10.5073 11.5790 11.5790 13.3221 13.3221 15.0704 15.0704 17.2543 17.2543 19.5816 19.5816 22.8524 22.8524 26.7019 26.7019 k = 0.3197 0.1846 0.5237 ( 676 PWs) bands (ev): 4.0225 4.0225 7.9039 7.9039 9.7642 9.7642 10.4939 10.4939 11.6419 11.6419 13.3811 13.3811 15.0708 15.0708 17.2653 17.2653 19.6319 19.6319 22.6977 22.6977 26.6384 26.6384 k = 0.3279 0.1893 0.5237 ( 676 PWs) bands (ev): 4.0214 4.0214 7.9302 7.9302 9.7390 9.7390 10.4798 10.4798 11.7115 11.7115 13.4395 13.4395 15.0701 15.0701 17.2777 17.2777 19.6806 19.6806 22.5382 22.5382 26.5721 26.5721 k = 0.3361 0.1940 0.5237 ( 672 PWs) bands (ev): 4.0204 4.0204 7.9534 7.9534 9.7146 9.7146 10.4650 10.4650 11.7875 11.7875 13.4972 13.4972 15.0682 15.0682 17.2915 17.2915 19.7276 19.7276 22.3749 22.3749 26.5039 26.5039 k = 0.3443 0.1988 0.5237 ( 672 PWs) bands (ev): 4.0195 4.0195 7.9737 7.9737 9.6911 9.6911 10.4497 10.4497 11.8695 11.8695 13.5539 13.5539 15.0650 15.0650 17.3065 17.3065 19.7727 19.7727 22.2091 22.2091 26.4346 26.4346 k = 0.3525 0.2035 0.5237 ( 672 PWs) bands (ev): 4.0187 4.0187 7.9912 7.9912 9.6684 9.6684 10.4341 10.4341 11.9570 11.9570 13.6094 13.6094 15.0603 15.0603 17.3223 17.3223 19.8158 19.8158 22.0419 22.0419 26.3648 26.3648 k = 0.3607 0.2082 0.5237 ( 668 PWs) bands (ev): 4.0180 4.0180 8.0062 8.0062 9.6467 9.6467 10.4183 10.4183 12.0495 12.0495 13.6633 13.6633 15.0542 15.0542 17.3390 17.3390 19.8569 19.8569 21.8746 21.8746 26.2952 26.2952 k = 0.3689 0.2130 0.5237 ( 668 PWs) bands (ev): 4.0174 4.0174 8.0189 8.0189 9.6260 9.6260 10.4024 10.4024 12.1464 12.1464 13.7155 13.7155 15.0463 15.0463 17.3562 17.3562 19.8956 19.8956 21.7084 21.7084 26.2265 26.2265 k = 0.3770 0.2177 0.5237 ( 672 PWs) bands (ev): 4.0169 4.0169 8.0294 8.0294 9.6063 9.6063 10.3867 10.3867 12.2469 12.2469 13.7657 13.7657 15.0367 15.0367 17.3737 17.3737 19.9317 19.9317 21.5445 21.5445 26.1591 26.1591 k = 0.3852 0.2224 0.5237 ( 668 PWs) bands (ev): 4.0165 4.0165 8.0381 8.0381 9.5877 9.5877 10.3714 10.3714 12.3506 12.3506 13.8135 13.8135 15.0252 15.0252 17.3915 17.3915 19.9653 19.9653 21.3843 21.3843 26.0937 26.0937 k = 0.3934 0.2272 0.5237 ( 672 PWs) bands (ev): 4.0161 4.0161 8.0451 8.0451 9.5702 9.5702 10.3564 10.3564 12.4565 12.4565 13.8586 13.8586 15.0118 15.0118 17.4092 17.4092 19.9960 19.9960 21.2290 21.2290 26.0306 26.0306 k = 0.4016 0.2319 0.5237 ( 672 PWs) bands (ev): 4.0158 4.0158 8.0507 8.0507 9.5538 9.5538 10.3420 10.3420 12.5638 12.5638 13.9008 13.9008 14.9964 14.9964 17.4267 17.4267 20.0236 20.0236 21.0800 21.0800 25.9705 25.9705 k = 0.4098 0.2366 0.5237 ( 676 PWs) bands (ev): 4.0156 4.0156 8.0551 8.0551 9.5387 9.5387 10.3283 10.3283 12.6718 12.6718 13.9397 13.9397 14.9790 14.9790 17.4437 17.4437 20.0474 20.0474 20.9390 20.9390 25.9137 25.9137 k = 0.4180 0.2414 0.5237 ( 672 PWs) bands (ev): 4.0154 4.0154 8.0584 8.0584 9.5247 9.5247 10.3154 10.3154 12.7794 12.7794 13.9750 13.9750 14.9598 14.9598 17.4602 17.4602 20.0669 20.0669 20.8076 20.8076 25.8606 25.8606 k = 0.4262 0.2461 0.5237 ( 672 PWs) bands (ev): 4.0153 4.0153 8.0609 8.0609 9.5120 9.5120 10.3035 10.3035 12.8855 12.8855 14.0064 14.0064 14.9389 14.9389 17.4758 17.4758 20.0810 20.0810 20.6880 20.6880 25.8114 25.8114 k = 0.4344 0.2508 0.5237 ( 672 PWs) bands (ev): 4.0152 4.0152 8.0627 8.0627 9.5006 9.5006 10.2925 10.2925 12.9891 12.9891 14.0333 14.0333 14.9167 14.9167 17.4904 17.4904 20.0881 20.0881 20.5830 20.5830 25.7667 25.7667 k = 0.4426 0.2555 0.5237 ( 676 PWs) bands (ev): 4.0151 4.0151 8.0639 8.0639 9.4905 9.4905 10.2826 10.2826 13.0887 13.0887 14.0557 14.0557 14.8936 14.8936 17.5038 17.5038 20.0858 20.0858 20.4957 20.4957 25.7265 25.7265 k = 0.4508 0.2603 0.5237 ( 676 PWs) bands (ev): 4.0150 4.0150 8.0648 8.0648 9.4817 9.4817 10.2739 10.2739 13.1828 13.1828 14.0731 14.0731 14.8704 14.8704 17.5158 17.5158 20.0722 20.0722 20.4293 20.4293 25.6912 25.6912 k = 0.4590 0.2650 0.5237 ( 676 PWs) bands (ev): 4.0150 4.0150 8.0653 8.0653 9.4742 9.4742 10.2664 10.2664 13.2696 13.2696 14.0855 14.0855 14.8480 14.8480 17.5263 17.5263 20.0476 20.0476 20.3844 20.3844 25.6610 25.6610 k = 0.4672 0.2697 0.5237 ( 676 PWs) bands (ev): 4.0150 4.0150 8.0656 8.0656 9.4680 9.4680 10.2602 10.2602 13.3469 13.3469 14.0931 14.0931 14.8273 14.8273 17.5352 17.5352 20.0162 20.0162 20.3575 20.3575 25.6360 25.6360 k = 0.4754 0.2745 0.5237 ( 670 PWs) bands (ev): 4.0150 4.0150 8.0657 8.0657 9.4633 9.4633 10.2554 10.2554 13.4120 13.4120 14.0965 14.0965 14.8096 14.8096 17.5422 17.5422 19.9847 19.9847 20.3430 20.3430 25.6164 25.6164 k = 0.4836 0.2792 0.5237 ( 668 PWs) bands (ev): 4.0150 4.0150 8.0658 8.0658 9.4598 9.4598 10.2519 10.2519 13.4619 13.4619 14.0970 14.0970 14.7960 14.7960 17.5473 17.5473 19.9586 19.9586 20.3357 20.3357 25.6024 25.6024 k = 0.4918 0.2839 0.5237 ( 668 PWs) bands (ev): 4.0150 4.0150 8.0658 8.0658 9.4578 9.4578 10.2498 10.2498 13.4936 13.4936 14.0963 14.0963 14.7874 14.7874 17.5504 17.5504 19.9417 19.9417 20.3324 20.3324 25.5939 25.5939 k = 0.5000 0.2887 0.5237 ( 672 PWs) bands (ev): 4.0150 4.0150 8.0658 8.0658 9.4571 9.4571 10.2490 10.2490 13.5045 13.5045 14.0958 14.0958 14.7845 14.7845 17.5514 17.5514 19.9358 19.9358 20.3314 20.3314 25.5910 25.5910 k = 0.5000 0.2887 0.5237 ( 672 PWs) bands (ev): 4.0150 4.0150 8.0658 8.0658 9.4571 9.4571 10.2490 10.2490 13.5045 13.5045 14.0958 14.0958 14.7845 14.7845 17.5514 17.5514 19.9358 19.9358 20.3314 20.3314 25.5910 25.5910 k = 0.4952 0.2969 0.5237 ( 668 PWs) bands (ev): 4.0137 4.0172 8.0652 8.0689 9.4178 9.4741 10.2363 10.2854 13.4099 13.5876 14.0486 14.1505 14.7480 14.8279 17.5376 17.5604 19.9315 19.9406 20.3204 20.3426 25.5799 25.6075 k = 0.4905 0.3052 0.5237 ( 668 PWs) bands (ev): 4.0133 4.0204 8.0670 8.0746 9.3617 9.4665 10.2495 10.3399 13.3110 13.6441 14.0255 14.2044 14.7171 14.8795 17.5191 17.5645 19.9275 19.9456 20.3095 20.3538 25.5729 25.6298 k = 0.4857 0.3134 0.5237 ( 668 PWs) bands (ev): 4.0138 4.0245 8.0712 8.0828 9.2940 9.4364 10.2867 10.4073 13.2107 13.6543 14.0476 14.2534 14.6904 14.9404 17.4960 17.5635 19.9240 19.9509 20.2990 20.3649 25.5687 25.6583 k = 0.4810 0.3217 0.5237 ( 664 PWs) bands (ev): 4.0153 4.0296 8.0777 8.0935 9.2188 9.3891 10.3426 10.4834 13.1105 13.6200 14.1139 14.2958 14.6671 15.0107 17.4687 17.5576 19.9209 19.9565 20.2890 20.3758 25.5648 25.6933 k = 0.4762 0.3299 0.5237 ( 664 PWs) bands (ev): 4.0176 4.0355 8.0862 8.1066 9.1390 9.3301 10.4115 10.5654 13.0112 13.5610 14.2053 14.3311 14.6463 15.0901 17.4373 17.5468 19.9183 19.9623 20.2794 20.3862 25.5575 25.7345 k = 0.4714 0.3382 0.5237 ( 664 PWs) bands (ev): 4.0209 4.0424 8.0966 8.1222 9.0565 9.2641 10.4892 10.6512 12.9135 13.4913 14.3083 14.3596 14.6280 15.1777 17.4022 17.5313 19.9162 19.9684 20.2705 20.3963 25.5413 25.7818 k = 0.4667 0.3464 0.5237 ( 664 PWs) bands (ev): 4.0249 4.0501 8.1087 8.1401 8.9725 9.1940 10.5726 10.7396 12.8177 13.4171 14.3821 14.4149 14.6135 15.2724 17.3637 17.5112 19.9146 19.9747 20.2622 20.4058 25.5086 25.8349 k = 0.4619 0.3547 0.5237 ( 664 PWs) bands (ev): 4.0298 4.0586 8.1221 8.1603 8.8881 9.1222 10.6595 10.8295 12.7239 13.3416 14.3996 14.5110 14.6139 15.3728 17.3222 17.4869 19.9137 19.9813 20.2546 20.4148 25.4504 25.8927 k = 0.4571 0.3629 0.5237 ( 664 PWs) bands (ev): 4.0354 4.0679 8.1365 8.1824 8.8040 9.0501 10.7487 10.9204 12.6326 13.2665 14.4129 14.5447 14.6796 15.4780 17.2780 17.4586 19.9132 19.9882 20.2477 20.4231 25.3600 25.9531 k = 0.4524 0.3712 0.5237 ( 664 PWs) bands (ev): 4.0418 4.0779 8.1513 8.2064 8.7206 8.9793 10.8390 11.0115 12.5438 13.1928 14.4226 14.5364 14.7890 15.5869 17.2314 17.4266 19.9134 19.9954 20.2417 20.4307 25.2369 26.0086 k = 0.4476 0.3794 0.5237 ( 664 PWs) bands (ev): 4.0488 4.0886 8.1658 8.2318 8.6387 8.9108 10.9296 11.1025 12.4578 13.1212 14.4295 14.5212 14.9064 15.6987 17.1829 17.3914 19.9141 20.0030 20.2364 20.4376 25.0864 26.0240 k = 0.4429 0.3876 0.5237 ( 656 PWs) bands (ev): 4.0565 4.1000 8.1792 8.2580 8.5591 8.8460 11.0201 11.1930 12.3746 13.0523 14.4340 14.5040 15.0264 15.8129 17.1328 17.3534 19.9154 20.0111 20.2322 20.4439 24.9160 25.9095 k = 0.4381 0.3959 0.5237 ( 656 PWs) bands (ev): 4.0647 4.1120 8.1900 8.2834 8.4835 8.7862 11.1097 11.2824 12.2946 12.9866 14.4363 14.4857 15.1475 15.9287 17.0815 17.3130 19.9172 20.0197 20.2287 20.4493 24.7324 25.7148 k = 0.4333 0.4041 0.5237 ( 652 PWs) bands (ev): 4.0735 4.1244 8.1968 8.3009 8.4188 8.7332 11.1980 11.3706 12.2178 12.9244 14.4369 14.4668 15.2690 16.0457 17.0294 17.2706 19.9195 20.0288 20.2261 20.4540 24.5403 25.5032 k = 0.4286 0.4124 0.5237 ( 652 PWs) bands (ev): 4.0826 4.1373 8.1976 8.2835 8.3922 8.6890 11.2845 11.4572 12.1444 12.8661 14.4360 14.4472 15.3905 16.1634 16.9769 17.2266 19.9223 20.0386 20.2246 20.4581 24.3432 25.2880 k = 0.4238 0.4206 0.5237 ( 652 PWs) bands (ev): 4.0921 4.1505 8.1905 8.2266 8.4083 8.6554 11.3689 11.5419 12.0746 12.8121 14.4270 14.4337 15.5117 16.2812 16.9244 17.1816 19.9257 20.0492 20.2240 20.4615 24.1434 25.0729 k = 0.4190 0.4289 0.5237 ( 646 PWs) bands (ev): 4.1019 4.1640 8.1603 8.1744 8.4368 8.6336 11.4506 11.6243 12.0085 12.7626 14.4063 14.4303 15.6322 16.3989 16.8722 17.1360 19.9295 20.0606 20.2247 20.4644 23.9424 24.8593 k = 0.4143 0.4371 0.5237 ( 654 PWs) bands (ev): 4.1119 4.1777 8.0936 8.1495 8.4685 8.6231 11.5292 11.7041 11.9463 12.7180 14.3851 14.4259 15.7516 16.5158 16.8207 17.0903 19.9336 20.0728 20.2263 20.4665 23.7416 24.6480 k = 0.4095 0.4454 0.5237 ( 654 PWs) bands (ev): 4.1219 4.1914 8.0286 8.1175 8.5014 8.6224 11.6042 11.7809 11.8885 12.6786 14.3634 14.4206 15.8696 16.6317 16.7704 17.0449 19.9382 20.0861 20.2293 20.4682 23.5421 24.4397 k = 0.4048 0.4536 0.5237 ( 654 PWs) bands (ev): 4.1320 4.2051 7.9661 8.0806 8.5344 8.6290 11.6751 11.8309 11.8584 12.6447 14.3414 14.4145 15.9856 16.7216 16.7457 17.0005 19.9430 20.1005 20.2336 20.4695 23.3446 24.2350 k = 0.4000 0.4619 0.5237 ( 654 PWs) bands (ev): 4.1421 4.2186 7.9065 8.0409 8.5671 8.6407 11.7414 11.7834 11.9267 12.6165 14.3191 14.4078 16.0992 16.6750 16.8564 16.9585 19.9481 20.1159 20.2394 20.4705 23.1500 24.0346 k = 0.3952 0.4701 0.5237 ( 654 PWs) bands (ev): 4.1519 4.2319 7.8500 8.0002 8.5989 8.6556 11.7382 11.8026 11.9934 12.5943 14.2967 14.4006 16.2094 16.6311 16.9088 16.9738 19.9533 20.1326 20.2466 20.4711 22.9592 23.8391 k = 0.3905 0.4784 0.5237 ( 654 PWs) bands (ev): 4.1615 4.2449 7.7968 7.9598 8.6296 8.6723 11.6973 11.8582 12.0562 12.5782 14.2743 14.3930 16.3148 16.5913 16.8718 17.0773 19.9586 20.1503 20.2554 20.4715 22.7728 23.6493 k = 0.3857 0.4866 0.5237 ( 654 PWs) bands (ev): 4.1708 4.2573 7.7473 7.9207 8.6588 8.6896 11.6608 11.9080 12.1149 12.5680 14.2521 14.3852 16.4097 16.5610 16.8344 17.1798 19.9637 20.1692 20.2657 20.4719 22.5920 23.4661 k = 0.3810 0.4949 0.5237 ( 654 PWs) bands (ev): 4.1795 4.2691 7.7014 7.8836 8.6862 8.7069 11.6288 11.9517 12.1690 12.5636 14.2304 14.3772 16.4637 16.5702 16.7992 17.2782 19.9685 20.1889 20.2774 20.4721 22.4177 23.2906 k = 0.3762 0.5031 0.5237 ( 654 PWs) bands (ev): 4.1878 4.2802 7.6595 7.8490 8.7114 8.7236 11.6012 11.9895 12.2185 12.5642 14.2093 14.3692 16.4533 16.6419 16.7667 17.3718 19.9731 20.2093 20.2903 20.4726 22.2511 23.1238 k = 0.3714 0.5114 0.5237 ( 654 PWs) bands (ev): 4.1954 4.2905 7.6216 7.8173 8.7344 8.7391 11.5780 12.0217 12.2630 12.5692 14.1891 14.3614 16.4283 16.7258 16.7374 17.4595 19.9771 20.2298 20.3041 20.4732 22.0937 22.9674 k = 0.3667 0.5196 0.5237 ( 658 PWs) bands (ev): 4.2023 4.2998 7.5878 7.7888 8.7531 8.7547 11.5589 12.0488 12.3023 12.5772 14.1701 14.3538 16.4033 16.7114 16.8066 17.5407 19.9806 20.2499 20.3181 20.4743 21.9470 22.8228 k = 0.3619 0.5279 0.5237 ( 658 PWs) bands (ev): 4.2085 4.3081 7.5583 7.7637 8.7655 8.7724 11.5437 12.0714 12.3365 12.5872 14.1526 14.3468 16.3807 16.6888 16.8810 17.6143 19.9835 20.2688 20.3317 20.4760 21.8132 22.6920 k = 0.3571 0.5361 0.5237 ( 654 PWs) bands (ev): 4.2138 4.3152 7.5333 7.7423 8.7760 8.7873 11.5321 12.0900 12.3654 12.5980 14.1370 14.3403 16.3615 16.6698 16.9471 17.6795 19.9857 20.2854 20.3443 20.4783 21.6944 22.5771 k = 0.3524 0.5444 0.5237 ( 654 PWs) bands (ev): 4.2182 4.3212 7.5126 7.7246 8.7846 8.7993 11.5237 12.1051 12.3889 12.6083 14.1236 14.3347 16.3458 16.6545 17.0037 17.7352 19.9873 20.2989 20.3549 20.4814 21.5932 22.4799 k = 0.3476 0.5526 0.5237 ( 654 PWs) bands (ev): 4.2217 4.3259 7.4966 7.7107 8.7912 8.8085 11.5181 12.1170 12.4070 12.6172 14.1126 14.3300 16.3338 16.6427 17.0496 17.7804 19.9883 20.3084 20.3629 20.4847 21.5120 22.4025 k = 0.3429 0.5609 0.5237 ( 654 PWs) bands (ev): 4.2242 4.3292 7.4851 7.7008 8.7959 8.8150 11.5147 12.1256 12.4197 12.6242 14.1045 14.3265 16.3254 16.6345 17.0835 17.8139 19.9887 20.3139 20.3680 20.4876 21.4532 22.3464 k = 0.3381 0.5691 0.5237 ( 654 PWs) bands (ev): 4.2257 4.3312 7.4782 7.6948 8.7986 8.8188 11.5132 12.1310 12.4273 12.6286 14.0995 14.3243 16.3205 16.6297 17.1044 17.8347 19.9888 20.3160 20.3704 20.4895 21.4180 22.3127 k = 0.3333 0.5774 0.5237 ( 654 PWs) bands (ev): 4.2262 4.3319 7.4759 7.6929 8.7995 8.8200 11.5128 12.1328 12.4298 12.6301 14.0978 14.3235 16.3189 16.6282 17.1115 17.8419 19.9888 20.3163 20.3710 20.4902 21.4065 22.3015 k = 0.3333 0.5774 0.5237 ( 654 PWs) bands (ev): 4.2262 4.3319 7.4759 7.6929 8.7995 8.8200 11.5128 12.1328 12.4298 12.6301 14.0978 14.3235 16.3189 16.6282 17.1115 17.8419 19.9888 20.3163 20.3710 20.4902 21.4065 22.3015 k = 0.3286 0.5691 0.5237 ( 654 PWs) bands (ev): 4.2257 4.3313 7.4782 7.6948 8.7986 8.8188 11.5130 12.1309 12.4273 12.6285 14.0995 14.3243 16.3203 16.6296 17.1043 17.8345 19.9889 20.3168 20.3710 20.4897 21.4174 22.3124 k = 0.3238 0.5609 0.5237 ( 654 PWs) bands (ev): 4.2242 4.3293 7.4850 7.7007 8.7962 8.8154 11.5132 12.1249 12.4203 12.6238 14.1049 14.3268 16.3245 16.6339 17.0826 17.8121 19.9897 20.3197 20.3720 20.4887 21.4483 22.3439 k = 0.3190 0.5526 0.5237 ( 652 PWs) bands (ev): 4.2218 4.3260 7.4963 7.7105 8.7922 8.8100 11.5129 12.1148 12.4088 12.6158 14.1138 14.3311 16.3309 16.6406 17.0468 17.7746 19.9915 20.3271 20.3760 20.4881 21.4966 22.3945 k = 0.3143 0.5444 0.5237 ( 652 PWs) bands (ev): 4.2185 4.3216 7.5119 7.7240 8.7870 8.8027 11.5116 12.1002 12.3932 12.6047 14.1262 14.3371 16.3389 16.6495 16.9977 17.7223 19.9943 20.3402 20.3846 20.4888 21.5597 22.4622 k = 0.3095 0.5361 0.5237 ( 652 PWs) bands (ev): 4.2144 4.3159 7.5318 7.7412 8.7805 8.7937 11.5089 12.0813 12.3737 12.5903 14.1420 14.3448 16.3476 16.6602 16.9368 17.6558 19.9983 20.3590 20.3993 20.4926 21.6354 22.5450 k = 0.3048 0.5279 0.5237 ( 656 PWs) bands (ev): 4.2094 4.3093 7.5558 7.7619 8.7730 8.7831 11.5042 12.0581 12.3507 12.5727 14.1609 14.3543 16.3557 16.6724 16.8664 17.5764 20.0030 20.3806 20.4213 20.5032 21.7217 22.6411 k = 0.3000 0.5196 0.5237 ( 660 PWs) bands (ev): 4.2038 4.3017 7.5838 7.7859 8.7647 8.7712 11.4973 12.0307 12.3245 12.5520 14.1825 14.3652 16.3609 16.6858 16.7899 17.4855 20.0080 20.3996 20.4516 20.5263 21.8172 22.7488 k = 0.2952 0.5114 0.5237 ( 660 PWs) bands (ev): 4.1975 4.2932 7.6157 7.8131 8.7557 8.7580 11.4879 11.9995 12.2954 12.5283 14.2063 14.3775 16.3586 16.7000 16.7129 17.3848 20.0127 20.4109 20.4909 20.5670 21.9207 22.8668 k = 0.2905 0.5031 0.5237 ( 660 PWs) bands (ev): 4.1907 4.2840 7.6512 7.8432 8.7437 8.7461 11.4759 11.9647 12.2637 12.5017 14.2320 14.3908 16.3403 16.6454 16.7144 17.2761 20.0167 20.4148 20.5394 20.6243 22.0314 22.9938 k = 0.2857 0.4949 0.5237 ( 660 PWs) bands (ev): 4.1835 4.2742 7.6903 7.8761 8.7284 8.7362 11.4611 11.9266 12.2298 12.4721 14.2590 14.4049 16.2948 16.5996 16.7284 17.1614 20.0193 20.4139 20.5971 20.6953 22.1484 23.1288 k = 0.2810 0.4866 0.5237 ( 660 PWs) bands (ev): 4.1758 4.2638 7.7327 7.9113 8.7121 8.7261 11.4436 11.8858 12.1939 12.4399 14.2866 14.4194 16.2193 16.5796 16.7405 17.0435 20.0205 20.4099 20.6638 20.7775 22.2711 23.2709 k = 0.2762 0.4784 0.5237 ( 652 PWs) bands (ev): 4.1679 4.2530 7.7783 7.9487 8.6948 8.7161 11.4233 11.8424 12.1564 12.4053 14.3142 14.4339 16.1228 16.5776 16.7454 16.9291 20.0201 20.4036 20.7392 20.8694 22.3992 23.4194 k = 0.2714 0.4701 0.5237 ( 650 PWs) bands (ev): 4.1597 4.2420 7.8268 7.9876 8.6767 8.7065 11.4005 11.7969 12.1175 12.3683 14.3411 14.4479 16.0145 16.5852 16.7167 16.8455 20.0177 20.3953 20.8226 20.9698 22.5321 23.5737 k = 0.2667 0.4619 0.5237 ( 654 PWs) bands (ev): 4.1514 4.2307 7.8781 8.0275 8.6576 8.6977 11.3752 11.7495 12.0774 12.3293 14.3665 14.4608 15.9005 16.5977 16.6214 16.8269 20.0133 20.3849 20.9135 21.0779 22.6695 23.7332 k = 0.2619 0.4536 0.5237 ( 654 PWs) bands (ev): 4.1430 4.2193 7.9321 8.0679 8.6377 8.6900 11.3477 11.7007 12.0364 12.2885 14.3897 14.4721 15.7844 16.5005 16.6126 16.8335 20.0070 20.3726 21.0114 21.1929 22.8112 23.8975 k = 0.2571 0.4454 0.5237 ( 654 PWs) bands (ev): 4.1347 4.2079 7.9884 8.1078 8.6168 8.6843 11.3182 11.6507 11.9947 12.2461 14.4095 14.4812 15.6686 16.3748 16.6288 16.8453 19.9985 20.3583 21.1157 21.3140 22.9572 24.0662 k = 0.2524 0.4371 0.5237 ( 650 PWs) bands (ev): 4.1264 4.1966 8.0469 8.1461 8.5948 8.6814 11.2871 11.5999 11.9527 12.2026 14.4247 14.4873 15.5554 16.2494 16.6454 16.8586 19.9879 20.3421 21.2259 21.4406 23.1072 24.2392 k = 0.2476 0.4289 0.5237 ( 654 PWs) bands (ev): 4.1183 4.1855 8.1075 8.1814 8.5719 8.6825 11.2546 11.5485 11.9103 12.1581 14.4338 14.4896 15.4469 16.1263 16.6622 16.8722 19.9750 20.3234 21.3413 21.5717 23.2612 24.4160 k = 0.2429 0.4206 0.5237 ( 654 PWs) bands (ev): 4.1104 4.1745 8.1698 8.2120 8.5478 8.6890 11.2211 11.4968 11.8680 12.1129 14.4348 14.4873 15.3457 16.0071 16.6788 16.8858 19.9597 20.3025 21.4614 21.7067 23.4193 24.5964 k = 0.2381 0.4124 0.5237 ( 656 PWs) bands (ev): 4.1028 4.1639 8.2335 8.2361 8.5227 8.7024 11.1870 11.4451 11.8259 12.0673 14.4252 14.4793 15.2544 15.8933 16.6950 16.8992 19.9420 20.2791 21.5857 21.8447 23.5815 24.7804 k = 0.2333 0.4041 0.5237 ( 656 PWs) bands (ev): 4.0954 4.1536 8.2524 8.2981 8.4969 8.7239 11.1525 11.3936 11.7841 12.0216 14.4027 14.4646 15.1760 15.7862 16.7109 16.9123 19.9217 20.2532 21.7133 21.9847 23.7480 24.9676 k = 0.2286 0.3959 0.5237 ( 656 PWs) bands (ev): 4.0885 4.1437 8.2601 8.3612 8.4722 8.7538 11.1181 11.3426 11.7428 11.9761 14.3654 14.4421 15.1126 15.6872 16.7265 16.9251 19.8989 20.2248 21.8438 22.1260 23.9187 25.1579 k = 0.2238 0.3876 0.5237 ( 656 PWs) bands (ev): 4.0819 4.1343 8.2595 8.4049 8.4665 8.7916 11.0841 11.2924 11.7021 11.9310 14.3127 14.4109 15.0647 15.5973 16.7416 16.9377 19.8734 20.1936 21.9765 22.2676 24.0940 25.3512 k = 0.2190 0.3794 0.5237 ( 656 PWs) bands (ev): 4.0757 4.1253 8.2513 8.3916 8.5169 8.8363 11.0509 11.2431 11.6623 11.8866 14.2464 14.3703 15.0312 15.5175 16.7563 16.9502 19.8453 20.1598 22.1106 22.4084 24.2737 25.5471 k = 0.2143 0.3712 0.5237 ( 658 PWs) bands (ev): 4.0699 4.1169 8.2365 8.3607 8.5839 8.8866 11.0187 11.1950 11.6235 11.8431 14.1691 14.3200 15.0094 15.4482 16.7708 16.9625 19.8145 20.1233 22.2455 22.5477 24.4581 25.7454 k = 0.2095 0.3629 0.5237 ( 662 PWs) bands (ev): 4.0646 4.1089 8.2160 8.3253 8.6540 8.9412 10.9878 11.1484 11.5857 11.8008 14.0840 14.2605 14.9962 15.3891 16.7851 16.9748 19.7810 20.0840 22.3804 22.6845 24.6471 25.9456 k = 0.2048 0.3547 0.5237 ( 662 PWs) bands (ev): 4.0598 4.1015 8.1907 8.2871 8.7253 8.9991 10.9586 11.1034 11.5492 11.7598 13.9940 14.1926 14.9891 15.3396 16.7992 16.9872 19.7449 20.0421 22.5146 22.8179 24.8405 26.1471 k = 0.2000 0.3464 0.5237 ( 662 PWs) bands (ev): 4.0555 4.0947 8.1611 8.2463 8.7973 9.0596 10.9312 11.0603 11.5141 11.7203 13.9014 14.1175 14.9861 15.2987 16.8134 16.9997 19.7062 19.9977 22.6473 22.9471 25.0380 26.3487 k = 0.1952 0.3382 0.5237 ( 662 PWs) bands (ev): 4.0517 4.0885 8.1276 8.2030 8.8697 9.1219 10.9059 11.0191 11.4805 11.6826 13.8076 14.0367 14.9855 15.2648 16.8276 17.0124 19.6650 19.9506 22.7777 23.0715 25.2390 26.5483 k = 0.1905 0.3299 0.5237 ( 662 PWs) bands (ev): 4.0484 4.0828 8.0906 8.1573 8.9423 9.1855 10.8826 10.9801 11.4486 11.6467 13.7139 13.9518 14.9864 15.2367 16.8420 17.0254 19.6214 19.9012 22.9051 23.1904 25.4427 26.7423 k = 0.1857 0.3217 0.5237 ( 662 PWs) bands (ev): 4.0456 4.0777 8.0502 8.1093 9.0148 9.2499 10.8617 10.9435 11.4185 11.6130 13.6211 13.8640 14.9881 15.2132 16.8568 17.0389 19.5755 19.8494 23.0287 23.3031 25.6479 26.9240 k = 0.1810 0.3134 0.5237 ( 662 PWs) bands (ev): 4.0433 4.0732 8.0068 8.0589 9.0872 9.3149 10.8430 10.9091 11.3904 11.5814 13.5298 13.7747 14.9901 15.1931 16.8720 17.0530 19.5274 19.7954 23.1479 23.4094 25.8528 27.0821 k = 0.1762 0.3052 0.5237 ( 662 PWs) bands (ev): 4.0414 4.0693 7.9605 8.0063 9.1592 9.3800 10.8265 10.8772 11.3644 11.5521 13.4405 13.6846 14.9921 15.1757 16.8878 17.0677 19.4771 19.7392 23.2618 23.5087 26.0549 27.2032 k = 0.1714 0.2969 0.5237 ( 662 PWs) bands (ev): 4.0400 4.0659 7.9115 7.9517 9.2307 9.4450 10.8121 10.8477 11.3407 11.5252 13.3534 13.5948 14.9937 15.1602 16.9042 17.0830 19.4251 19.6813 23.3699 23.6010 26.2509 27.2816 k = 0.1667 0.2887 0.5237 ( 662 PWs) bands (ev): 4.0391 4.0630 7.8600 7.8951 9.3015 9.5096 10.7997 10.8206 11.3195 11.5009 13.2689 13.5058 14.9949 15.1461 16.9215 17.0992 19.3713 19.6216 23.4716 23.6858 26.4363 27.3246 k = 0.1619 0.2804 0.5237 ( 666 PWs) bands (ev): 4.0385 4.0606 7.8063 7.8367 9.3714 9.5737 10.7891 10.7958 11.3009 11.4792 13.1871 13.4180 14.9955 15.1329 16.9396 17.1163 19.3160 19.5604 23.5663 23.7632 26.6054 27.3428 k = 0.1571 0.2722 0.5237 ( 666 PWs) bands (ev): 4.0384 4.0588 7.7506 7.7769 9.4404 9.6369 10.7734 10.7801 11.2852 11.4601 13.1081 13.3321 14.9955 15.1205 16.9588 17.1343 19.2593 19.4977 23.6537 23.8329 26.7519 27.3435 k = 0.1524 0.2639 0.5237 ( 670 PWs) bands (ev): 4.0387 4.0574 7.6930 7.7156 9.5082 9.6991 10.7531 10.7724 11.2724 11.4437 13.0321 13.2482 14.9948 15.1084 16.9791 17.1534 19.2014 19.4339 23.7334 23.8951 26.8700 27.3310 k = 0.1476 0.2557 0.5237 ( 674 PWs) bands (ev): 4.0394 4.0565 7.6340 7.6533 9.5748 9.7601 10.7348 10.7658 11.2627 11.4300 12.9591 13.1667 14.9935 15.0966 17.0006 17.1735 19.1424 19.3690 23.8051 23.9498 26.9561 27.3075 k = 0.1429 0.2474 0.5237 ( 678 PWs) bands (ev): 4.0404 4.0560 7.5738 7.5901 9.6399 9.8198 10.7185 10.7599 11.2563 11.4189 12.8892 13.0877 14.9915 15.0850 17.0232 17.1946 19.0828 19.3034 23.8688 23.9971 27.0103 27.2746 k = 0.1381 0.2392 0.5237 ( 678 PWs) bands (ev): 4.0417 4.0559 7.5126 7.5263 9.7035 9.8779 10.7039 10.7545 11.2531 11.4106 12.8226 13.0115 14.9888 15.0734 17.0473 17.2170 19.0226 19.2372 23.9243 24.0373 27.0356 27.2333 k = 0.1333 0.2309 0.5237 ( 678 PWs) bands (ev): 4.0433 4.0561 7.4507 7.4622 9.7655 9.9343 10.6910 10.7495 11.2532 11.4049 12.7591 12.9382 14.9854 15.0618 17.0727 17.2406 18.9621 19.1706 23.9719 24.0705 27.0364 27.1844 k = 0.1286 0.2227 0.5237 ( 678 PWs) bands (ev): 4.0452 4.0567 7.3884 7.3979 9.8257 9.9888 10.6796 10.7445 11.2566 11.4017 12.6990 12.8680 14.9813 15.0501 17.0995 17.2653 18.9014 19.1039 24.0116 24.0969 27.0174 27.1288 k = 0.1238 0.2144 0.5237 ( 678 PWs) bands (ev): 4.0473 4.0577 7.3260 7.3338 9.8840 10.0414 10.6695 10.7396 11.2630 11.4008 12.6421 12.8009 14.9767 15.0384 17.1278 17.2911 18.8408 19.0371 24.0438 24.1170 26.9827 27.0672 k = 0.1190 0.2062 0.5237 ( 678 PWs) bands (ev): 4.0496 4.0589 7.2637 7.2701 9.9403 10.0919 10.6607 10.7345 11.2722 11.4022 12.5886 12.7370 14.9714 15.0265 17.1574 17.3181 18.7805 18.9706 24.0687 24.1311 26.9357 27.0003 k = 0.1143 0.1979 0.5237 ( 672 PWs) bands (ev): 4.0521 4.0603 7.2018 7.2070 9.9946 10.1402 10.6530 10.7294 11.2841 11.4057 12.5385 12.6765 14.9657 15.0146 17.1885 17.3463 18.7207 18.9045 24.0869 24.1396 26.8791 26.9290 k = 0.1095 0.1897 0.5237 ( 672 PWs) bands (ev): 4.0547 4.0620 7.1406 7.1447 10.0468 10.1862 10.6463 10.7242 11.2982 11.4110 12.4918 12.6193 14.9593 15.0026 17.2207 17.3753 18.6615 18.8390 24.0986 24.1429 26.8150 26.8539 k = 0.1048 0.1815 0.5237 ( 672 PWs) bands (ev): 4.0575 4.0639 7.0803 7.0836 10.0968 10.2298 10.6406 10.7189 11.3142 11.4180 12.4485 12.5657 14.9525 14.9906 17.2542 17.4052 18.6033 18.7744 24.1045 24.1413 26.7451 26.7757 k = 0.1000 0.1732 0.5237 ( 676 PWs) bands (ev): 4.0603 4.0659 7.0211 7.0237 10.1444 10.2710 10.6356 10.7136 11.3318 11.4263 12.4086 12.5155 14.9453 14.9786 17.2888 17.4359 18.5461 18.7106 24.1050 24.1355 26.6708 26.6951 k = 0.0952 0.1650 0.5237 ( 676 PWs) bands (ev): 4.0632 4.0680 6.9633 6.9653 10.1898 10.3097 10.6315 10.7084 11.3505 11.4357 12.3722 12.4689 14.9377 14.9665 17.3244 17.4673 18.4903 18.6482 24.1009 24.1259 26.5935 26.6129 k = 0.0905 0.1567 0.5237 ( 676 PWs) bands (ev): 4.0661 4.0703 6.9070 6.9086 10.2329 10.3459 10.6281 10.7031 11.3700 11.4461 12.3392 12.4259 14.9298 14.9546 17.3608 17.4991 18.4360 18.5872 24.0927 24.1130 26.5140 26.5296 k = 0.0857 0.1485 0.5237 ( 672 PWs) bands (ev): 4.0691 4.0726 6.8526 6.8538 10.2736 10.3796 10.6254 10.6980 11.3899 11.4570 12.3097 12.3866 14.9216 14.9428 17.3979 17.5313 18.3835 18.5278 24.0809 24.0973 26.4334 26.4460 k = 0.0810 0.1402 0.5237 ( 668 PWs) bands (ev): 4.0720 4.0750 6.8001 6.8010 10.3119 10.4108 10.6233 10.6931 11.4098 11.4683 12.2834 12.3509 14.9133 14.9312 17.4355 17.5635 18.3329 18.4701 24.0661 24.0792 26.3524 26.3626 k = 0.0762 0.1320 0.5237 ( 668 PWs) bands (ev): 4.0749 4.0774 6.7497 6.7504 10.3478 10.4394 10.6218 10.6883 11.4294 11.4797 12.2604 12.3189 14.9048 14.9197 17.4732 17.5956 18.2845 18.4145 24.0489 24.0593 26.2717 26.2800 k = 0.0714 0.1237 0.5237 ( 668 PWs) bands (ev): 4.0778 4.0798 6.7016 6.7021 10.3813 10.4656 10.6208 10.6836 11.4484 11.4909 12.2406 12.2905 14.8962 14.9086 17.5110 17.6273 18.2385 18.3610 24.0298 24.0379 26.1922 26.1989 k = 0.0667 0.1155 0.5237 ( 664 PWs) bands (ev): 4.0805 4.0822 6.6560 6.6563 10.4124 10.4893 10.6204 10.6792 11.4665 11.5019 12.2238 12.2657 14.8877 14.8978 17.5484 17.6584 18.1950 18.3099 24.0094 24.0157 26.1144 26.1198 k = 0.0619 0.1072 0.5237 ( 668 PWs) bands (ev): 4.0831 4.0845 6.6129 6.6131 10.4411 10.5106 10.6205 10.6749 11.4835 11.5123 12.2098 12.2443 14.8792 14.8873 17.5851 17.6883 18.1543 18.2614 23.9881 23.9930 26.0388 26.0432 k = 0.0571 0.0990 0.5237 ( 664 PWs) bands (ev): 4.0857 4.0867 6.5726 6.5727 10.4675 10.5295 10.6211 10.6708 11.4991 11.5221 12.1985 12.2263 14.8710 14.8774 17.6211 17.7169 18.1166 18.2156 23.9666 23.9702 25.9663 25.9697 k = 0.0524 0.0907 0.5237 ( 664 PWs) bands (ev): 4.0881 4.0889 6.5350 6.5351 10.4916 10.5461 10.6221 10.6669 11.5133 11.5312 12.1896 12.2114 14.8630 14.8679 17.6557 17.7438 18.0823 18.1727 23.9450 23.9477 25.8973 25.8999 k = 0.0476 0.0825 0.5237 ( 664 PWs) bands (ev): 4.0903 4.0909 6.5004 6.5005 10.5134 10.5605 10.6237 10.6632 11.5260 11.5395 12.1827 12.1993 14.8554 14.8591 17.6887 17.7685 18.0515 18.1331 23.9239 23.9258 25.8322 25.8342 k = 0.0429 0.0742 0.5237 ( 664 PWs) bands (ev): 4.0924 4.0928 6.4688 6.4689 10.5330 10.5726 10.6258 10.6597 11.5372 11.5470 12.1777 12.1899 14.8481 14.8508 17.7197 17.7904 18.0248 18.0968 23.9037 23.9050 25.7717 25.7732 k = 0.0381 0.0660 0.5237 ( 664 PWs) bands (ev): 4.0942 4.0946 6.4403 6.4403 10.5504 10.5826 10.6282 10.6564 11.5467 11.5537 12.1741 12.1828 14.8414 14.8433 17.7481 17.8090 18.0025 18.0642 23.8847 23.8856 25.7162 25.7172 k = 0.0333 0.0577 0.5237 ( 664 PWs) bands (ev): 4.0959 4.0961 6.4150 6.4150 10.5657 10.5907 10.6310 10.6532 11.5549 11.5595 12.1718 12.1777 14.8352 14.8365 17.7736 17.8235 17.9851 18.0356 23.8671 23.8677 25.6660 25.6667 k = 0.0286 0.0495 0.5237 ( 664 PWs) bands (ev): 4.0974 4.0975 6.3929 6.3929 10.5790 10.5972 10.6339 10.6503 11.5616 11.5645 12.1704 12.1741 14.8297 14.8305 17.7955 17.8335 17.9730 18.0114 23.8514 23.8518 25.6217 25.6222 k = 0.0238 0.0412 0.5237 ( 664 PWs) bands (ev): 4.0987 4.0987 6.3742 6.3742 10.5902 10.6024 10.6366 10.6477 11.5670 11.5687 12.1697 12.1719 14.8249 14.8254 17.8132 17.8391 17.9660 17.9921 23.8377 23.8379 25.5836 25.5838 k = 0.0190 0.0330 0.5237 ( 664 PWs) bands (ev): 4.0997 4.0997 6.3587 6.3587 10.5993 10.6065 10.6389 10.6455 11.5713 11.5721 12.1694 12.1705 14.8209 14.8211 17.8261 17.8411 17.9629 17.9780 23.8262 23.8263 25.5519 25.5520 k = 0.0143 0.0247 0.5237 ( 664 PWs) bands (ev): 4.1005 4.1005 6.3467 6.3467 10.6063 10.6097 10.6406 10.6438 11.5744 11.5748 12.1694 12.1699 14.8177 14.8178 17.8343 17.8412 17.9623 17.9692 23.8170 23.8171 25.5270 25.5270 k = 0.0095 0.0165 0.5237 ( 664 PWs) bands (ev): 4.1011 4.1011 6.3381 6.3381 10.6111 10.6123 10.6417 10.6427 11.5766 11.5767 12.1694 12.1696 14.8153 14.8154 17.8384 17.8405 17.9625 17.9647 23.8104 23.8104 25.5090 25.5090 k = 0.0048 0.0082 0.5237 ( 660 PWs) bands (ev): 4.1014 4.1014 6.3329 6.3329 10.6138 10.6140 10.6421 10.6422 11.5779 11.5779 12.1695 12.1695 14.8139 14.8139 17.8399 17.8401 17.9629 17.9632 23.8064 23.8064 25.4982 25.4982 k = 0.0000 0.0000 0.5237 ( 660 PWs) bands (ev): 4.1016 4.1016 6.3312 6.3312 10.6146 10.6146 10.6422 10.6422 11.5783 11.5783 12.1695 12.1695 14.8135 14.8135 17.8400 17.8400 17.9629 17.9629 23.8051 23.8051 25.4946 25.4946 k = 0.5000 0.2887 0.5237 ( 672 PWs) bands (ev): 4.0150 4.0150 8.0658 8.0658 9.4571 9.4571 10.2490 10.2490 13.5045 13.5045 14.0958 14.0958 14.7845 14.7845 17.5514 17.5514 19.9358 19.9358 20.3314 20.3314 25.5910 25.5910 k = 0.5000 0.2887 0.5142 ( 670 PWs) bands (ev): 4.0147 4.0154 8.0559 8.0729 9.4548 9.4618 10.2359 10.2629 13.4969 13.5080 14.0943 14.0954 14.7655 14.8024 17.5220 17.5772 19.9353 19.9447 20.3277 20.3315 25.5814 25.6070 k = 0.5000 0.2887 0.5047 ( 670 PWs) bands (ev): 4.0145 4.0160 8.0433 8.0772 9.4552 9.4690 10.2235 10.2773 13.4856 13.5074 14.0909 14.0927 14.7460 14.8190 17.4894 17.5987 19.9427 19.9604 20.3216 20.3278 25.5777 25.6293 k = 0.5000 0.2887 0.4951 ( 670 PWs) bands (ev): 4.0144 4.0168 8.0281 8.0786 9.4582 9.4785 10.2120 10.2920 13.4704 13.5027 14.0859 14.0879 14.7264 14.8339 17.4544 17.6160 19.9565 19.9795 20.3165 20.3217 25.5798 25.6580 k = 0.5000 0.2887 0.4856 ( 670 PWs) bands (ev): 4.0145 4.0177 8.0105 8.0771 9.4639 9.4902 10.2013 10.3066 13.4515 13.4938 14.0794 14.0807 14.7071 14.8468 17.4179 17.6291 19.9732 19.9956 20.3163 20.3184 25.5870 25.6929 k = 0.5000 0.2887 0.4761 ( 674 PWs) bands (ev): 4.0147 4.0187 7.9907 8.0730 9.4723 9.5040 10.1913 10.3210 13.4291 13.4805 14.0713 14.0718 14.6887 14.8577 17.3809 17.6383 19.9869 20.0000 20.3167 20.3354 25.5988 25.7338 k = 0.5000 0.2887 0.4666 ( 670 PWs) bands (ev): 4.0149 4.0198 7.9691 8.0662 9.4836 9.5200 10.1819 10.3347 13.4033 13.4629 14.0599 14.0633 14.6713 14.8664 17.3443 17.6441 19.9860 19.9900 20.3303 20.3738 25.6147 25.7802 k = 0.5000 0.2887 0.4570 ( 672 PWs) bands (ev): 4.0151 4.0209 7.9458 8.0569 9.4976 9.5378 10.1729 10.3475 13.3743 13.4410 14.0465 14.0540 14.6555 14.8732 17.3091 17.6471 19.9531 19.9763 20.3626 20.4332 25.6337 25.8316 k = 0.5000 0.2887 0.4475 ( 674 PWs) bands (ev): 4.0152 4.0221 7.9211 8.0455 9.5142 9.5576 10.1641 10.3590 13.3421 13.4146 14.0315 14.0442 14.6413 14.8781 17.2759 17.6477 19.9048 19.9449 20.4140 20.5096 25.6552 25.8871 k = 0.5000 0.2887 0.4380 ( 674 PWs) bands (ev): 4.0153 4.0232 7.8954 8.0320 9.5336 9.5792 10.1551 10.3689 13.3071 13.3840 14.0153 14.0340 14.6291 14.8814 17.2454 17.6467 19.8446 19.8985 20.4816 20.5989 25.6783 25.9457 k = 0.5000 0.2887 0.4285 ( 674 PWs) bands (ev): 4.0153 4.0243 7.8689 8.0167 9.5555 9.6024 10.1459 10.3770 13.2694 13.3490 13.9982 14.0235 14.6189 14.8835 17.2183 17.6445 19.7748 19.8403 20.5617 20.6981 25.7019 26.0063 k = 0.5000 0.2887 0.4190 ( 670 PWs) bands (ev): 4.0150 4.0252 7.8419 8.0000 9.5798 9.6270 10.1364 10.3832 13.2291 13.3099 13.9806 14.0128 14.6108 14.8848 17.1949 17.6418 19.6970 19.7727 20.6518 20.8053 25.7252 26.0674 k = 0.5000 0.2887 0.4094 ( 674 PWs) bands (ev): 4.0146 4.0259 7.8146 7.9819 9.6063 9.6527 10.1264 10.3871 13.1864 13.2667 13.9630 14.0020 14.6049 14.8858 17.1755 17.6390 19.6123 19.6972 20.7499 20.9189 25.7470 26.1273 k = 0.5000 0.2887 0.3999 ( 674 PWs) bands (ev): 4.0138 4.0265 7.7875 7.9628 9.6348 9.6790 10.1164 10.3890 13.1415 13.2196 13.9459 13.9910 14.6010 14.8868 17.1604 17.6365 19.5216 19.6150 20.8547 21.0377 25.7666 26.1841 k = 0.5000 0.2887 0.3904 ( 678 PWs) bands (ev): 4.0126 4.0266 7.7606 7.9430 9.6650 9.7051 10.1068 10.3889 13.0944 13.1688 13.9296 13.9800 14.5994 14.8884 17.1497 17.6348 19.4256 19.5271 20.9653 21.1609 25.7828 26.2358 k = 0.5000 0.2887 0.3809 ( 674 PWs) bands (ev): 4.0110 4.0265 7.7343 7.9228 9.6964 9.7298 10.0987 10.3870 13.0453 13.1146 13.9144 13.9690 14.5999 14.8909 17.1436 17.6342 19.3247 19.4340 21.0809 21.2878 25.7950 26.2804 k = 0.5000 0.2887 0.3714 ( 674 PWs) bands (ev): 4.0090 4.0259 7.7087 7.9022 9.7286 9.7514 10.0938 10.3839 12.9942 13.0570 13.9006 13.9578 14.6025 14.8946 17.1419 17.6349 19.2194 19.3364 21.2009 21.4178 25.8023 26.3158 k = 0.5000 0.2887 0.3618 ( 674 PWs) bands (ev): 4.0064 4.0248 7.6841 7.8817 9.7607 9.7676 10.0944 10.3804 12.9411 12.9964 13.8885 13.9464 14.6073 14.8999 17.1447 17.6373 19.1103 19.2347 21.3246 21.5503 25.8039 26.3403 k = 0.5000 0.2887 0.3523 ( 674 PWs) bands (ev): 4.0032 4.0232 7.6606 7.8613 9.7760 9.7918 10.1028 10.3774 12.8861 12.9330 13.8782 13.9350 14.6142 14.9069 17.1521 17.6416 18.9976 19.1294 21.4516 21.6849 25.7993 26.3528 k = 0.5000 0.2887 0.3428 ( 678 PWs) bands (ev): 3.9993 4.0209 7.6383 7.8413 9.7750 9.8206 10.1209 10.3763 12.8292 12.8671 13.8697 13.9233 14.6233 14.9156 17.1640 17.6480 18.8818 19.0209 21.5816 21.8213 25.7881 26.3526 k = 0.5000 0.2887 0.3333 ( 682 PWs) bands (ev): 3.9947 4.0180 7.6174 7.8219 9.7648 9.8456 10.1486 10.3789 12.7705 12.7989 13.8630 13.9114 14.6345 14.9261 17.1802 17.6567 18.7632 18.9096 21.7141 21.9591 25.7700 26.3395 k = 0.5000 0.2887 0.3237 ( 682 PWs) bands (ev): 3.9895 4.0144 7.5980 7.8031 9.7468 9.8650 10.1848 10.3872 12.7100 12.7286 13.8580 13.8993 14.6477 14.9383 17.2009 17.6678 18.6421 18.7959 21.8488 22.0980 25.7447 26.3141 k = 0.5000 0.2887 0.3142 ( 674 PWs) bands (ev): 3.9835 4.0101 7.5802 7.7851 9.7228 9.8775 10.2281 10.4028 12.6478 12.6566 13.8546 13.8870 14.6630 14.9521 17.2260 17.6816 18.5191 18.6804 21.9854 22.2378 25.7124 26.2769 k = 0.5000 0.2887 0.3047 ( 674 PWs) bands (ev): 3.9767 4.0049 7.5639 7.7679 9.6944 9.8822 10.2771 10.4269 12.5830 12.5841 13.8525 13.8743 14.6803 14.9671 17.2553 17.6979 18.3942 18.5630 22.1235 22.3781 25.6729 26.2289 k = 0.5000 0.2887 0.2952 ( 674 PWs) bands (ev): 3.9692 3.9990 7.5493 7.7516 9.6632 9.8791 10.3305 10.4598 12.5081 12.5188 13.8515 13.8614 14.6993 14.9832 17.2887 17.7168 18.2680 18.4445 22.2628 22.5187 25.6265 26.1710 k = 0.5000 0.2887 0.2857 ( 672 PWs) bands (ev): 3.9608 3.9922 7.5362 7.7363 9.6301 9.8690 10.3878 10.5010 12.4322 12.4522 13.8481 13.8516 14.7200 15.0001 17.3258 17.7378 18.1415 18.3254 22.4031 22.6595 25.5733 26.1043 k = 0.5000 0.2887 0.2761 ( 674 PWs) bands (ev): 3.9518 3.9846 7.5248 7.7218 9.5963 9.8533 10.4483 10.5494 12.3555 12.3844 13.8345 13.8523 14.7423 15.0175 17.3662 17.7590 18.0168 18.2064 22.5439 22.8001 25.5136 26.0294 k = 0.5000 0.2887 0.2666 ( 674 PWs) bands (ev): 3.9420 3.9762 7.5148 7.7083 9.5624 9.8335 10.5116 10.6039 12.2783 12.3157 13.8205 13.8535 14.7658 15.0351 17.4087 17.7690 17.9058 18.0888 22.6852 22.9404 25.4479 25.9475 k = 0.5000 0.2887 0.2571 ( 674 PWs) bands (ev): 3.9315 3.9669 7.5063 7.6956 9.5291 9.8109 10.5773 10.6634 12.2010 12.2462 13.8061 13.8551 14.7903 15.0525 17.4508 17.7107 17.8657 17.9754 22.8265 23.0801 25.3765 25.8593 k = 0.5000 0.2887 0.2476 ( 674 PWs) bands (ev): 3.9203 3.9569 7.4991 7.6837 9.4972 9.7868 10.6450 10.7269 12.1239 12.1763 13.7914 13.8569 14.8157 15.0696 17.4861 17.5934 17.8727 17.8877 22.9675 23.2189 25.2999 25.7654 k = 0.5000 0.2887 0.2380 ( 674 PWs) bands (ev): 3.9086 3.9462 7.4931 7.6724 9.4670 9.7621 10.7142 10.7933 12.0475 12.1062 13.7762 13.8586 14.8415 15.0859 17.4651 17.4971 17.7984 17.9240 23.1080 23.3567 25.2185 25.6665 k = 0.5000 0.2887 0.2285 ( 674 PWs) bands (ev): 3.8963 3.9347 7.4883 7.6617 9.4392 9.7377 10.7846 10.8616 11.9726 12.0364 13.7605 13.8603 14.8676 15.1014 17.3342 17.4567 17.7794 17.9666 23.2474 23.4931 25.1330 25.5633 k = 0.5000 0.2887 0.2190 ( 670 PWs) bands (ev): 3.8836 3.9226 7.4843 7.6515 9.4143 9.7143 10.8555 10.9304 11.9001 11.9676 13.7443 13.8618 14.8937 15.1159 17.2025 17.3704 17.8108 18.0137 23.3854 23.6279 25.0439 25.4564 k = 0.5000 0.2887 0.2095 ( 670 PWs) bands (ev): 3.8706 3.9100 7.4812 7.6416 9.3925 9.6927 10.9258 10.9980 11.8317 11.9007 13.7275 13.8630 14.9194 15.1290 17.0708 17.2635 17.8667 18.0648 23.5215 23.7607 24.9520 25.3463 k = 0.5000 0.2887 0.2000 ( 670 PWs) bands (ev): 3.8572 3.8968 7.4786 7.6318 9.3743 9.6733 10.9943 11.0613 11.7703 11.8371 13.7101 13.8638 14.9445 15.1407 16.9394 17.1491 17.9343 18.1196 23.6548 23.8911 24.8581 25.2336 k = 0.5000 0.2887 0.1904 ( 674 PWs) bands (ev): 3.8436 3.8833 7.4766 7.6222 9.3601 9.6566 11.0585 11.1155 11.7206 11.7790 13.6921 13.8641 14.9686 15.1508 16.8090 17.0319 18.0087 18.1779 23.7842 24.0187 24.7637 25.1190 k = 0.5000 0.2887 0.1809 ( 678 PWs) bands (ev): 3.8300 3.8694 7.4748 7.6125 9.3500 9.6430 11.1146 11.1531 11.6900 11.7305 13.6732 13.8639 14.9916 15.1593 16.6798 16.9142 18.0878 18.2393 23.9077 24.1427 24.6709 25.0035 k = 0.5000 0.2887 0.1714 ( 678 PWs) bands (ev): 3.8164 3.8553 7.4733 7.6028 9.3442 9.6329 11.1564 11.1657 11.6868 11.6975 13.6535 13.8631 15.0132 15.1660 16.5523 16.7971 18.1701 18.3037 24.0208 24.2619 24.5846 24.8884 k = 0.5000 0.2887 0.1619 ( 682 PWs) bands (ev): 3.8028 3.8411 7.4719 7.5930 9.3430 9.6264 11.1501 11.1765 11.6875 11.7141 13.6329 13.8615 15.0331 15.1707 16.4271 16.6815 18.2549 18.3706 24.1115 24.3731 24.5167 24.7771 k = 0.5000 0.2887 0.1523 ( 682 PWs) bands (ev): 3.7896 3.8270 7.4704 7.5830 9.3463 9.6239 11.1115 11.1705 11.7050 11.7668 13.6112 13.8589 15.0510 15.1734 16.3049 16.5680 18.3414 18.4398 24.1516 24.4615 24.4960 24.6846 k = 0.5000 0.2887 0.1428 ( 682 PWs) bands (ev): 3.7766 3.8129 7.4689 7.5730 9.3542 9.6254 11.0578 11.1411 11.7470 11.8368 13.5882 13.8552 15.0664 15.1740 16.1863 16.4573 18.4289 18.5107 24.1220 24.4609 24.5416 24.6773 k = 0.5000 0.2887 0.1333 ( 682 PWs) bands (ev): 3.7640 3.7990 7.4673 7.5628 9.3667 9.6311 10.9953 11.0953 11.8066 11.9180 13.5639 13.8500 15.0789 15.1722 16.0724 16.3500 18.5168 18.5830 24.0512 24.3714 24.6254 24.7552 k = 0.5000 0.2887 0.1238 ( 682 PWs) bands (ev): 3.7520 3.7854 7.4655 7.5526 9.3837 9.6409 10.9277 11.0394 11.8774 12.0063 13.5379 13.8430 15.0879 15.1678 15.9644 16.2469 18.6042 18.6560 23.9656 24.2633 24.7212 24.8484 k = 0.5000 0.2887 0.1143 ( 678 PWs) bands (ev): 3.7406 3.7722 7.4636 7.5424 9.4051 9.6549 10.8574 10.9776 11.9551 12.0995 13.5103 13.8338 15.0926 15.1607 15.8637 16.1485 18.6905 18.7291 23.8759 24.1525 24.8187 24.9410 k = 0.5000 0.2887 0.1047 ( 678 PWs) bands (ev): 3.7299 3.7596 7.4616 7.5323 9.4307 9.6728 10.7858 10.9125 12.0369 12.1961 13.4806 13.8218 15.0920 15.1505 15.7723 16.0558 18.7748 18.8017 23.7865 24.0429 24.9139 25.0294 k = 0.5000 0.2887 0.0952 ( 678 PWs) bands (ev): 3.7199 3.7475 7.4596 7.5225 9.4603 9.6945 10.7139 10.8456 12.1213 12.2951 13.4487 13.8063 15.0850 15.1371 15.6922 15.9695 18.8563 18.8729 23.6997 23.9363 25.0048 25.1123 k = 0.5000 0.2887 0.0857 ( 674 PWs) bands (ev): 3.7108 3.7362 7.4576 7.5130 9.4936 9.7197 10.6424 10.7781 12.2071 12.3956 13.4144 13.7865 15.0708 15.1203 15.6255 15.8903 18.9342 18.9422 23.6172 23.8338 25.0902 25.1887 k = 0.5000 0.2887 0.0762 ( 674 PWs) bands (ev): 3.7027 3.7256 7.4557 7.5040 9.5305 9.7480 10.5719 10.7106 12.2933 12.4972 13.3775 13.7616 15.0494 15.1001 15.5734 15.8189 19.0072 19.0083 23.5406 23.7366 25.1693 25.2582 k = 0.5000 0.2887 0.0667 ( 674 PWs) bands (ev): 3.6955 3.7158 7.4541 7.4954 9.5705 9.7789 10.5033 10.6437 12.3794 12.5989 13.3377 13.7306 15.0224 15.0766 15.5356 15.7558 19.0704 19.0746 23.4709 23.6456 25.2413 25.3200 k = 0.5000 0.2887 0.0571 ( 674 PWs) bands (ev): 3.6894 3.7071 7.4527 7.4875 9.6133 9.8115 10.4374 10.5781 12.4646 12.7002 13.2952 13.6926 14.9927 15.0507 15.5107 15.7010 19.1276 19.1353 23.4095 23.5619 25.3057 25.3738 k = 0.5000 0.2887 0.0476 ( 674 PWs) bands (ev): 3.6844 3.6993 7.4518 7.4803 9.6585 9.8444 10.3756 10.5142 12.5485 12.7997 13.2503 13.6470 14.9639 15.0231 15.4962 15.6542 19.1787 19.1883 23.3574 23.4865 25.3619 25.4192 k = 0.5000 0.2887 0.0381 ( 668 PWs) bands (ev): 3.6806 3.6925 7.4513 7.4738 9.7054 9.8754 10.3203 10.4527 12.6304 12.8951 13.2046 13.5933 14.9392 14.9953 15.4899 15.6150 19.2229 19.2327 23.3157 23.4206 25.4097 25.4558 k = 0.5000 0.2887 0.0286 ( 668 PWs) bands (ev): 3.6779 3.6869 7.4515 7.4681 9.7532 9.9002 10.2755 10.3946 12.7099 12.9785 13.1652 13.5317 14.9209 14.9689 15.4897 15.5824 19.2590 19.2677 23.2854 23.3650 25.4485 25.4833 k = 0.5000 0.2887 0.0190 ( 668 PWs) bands (ev): 3.6763 3.6824 7.4523 7.4633 9.8005 9.9128 10.2475 10.3413 12.7862 13.0157 13.1654 13.4626 14.9103 14.9454 15.4945 15.5556 19.2863 19.2928 23.2670 23.3206 25.4781 25.5014 k = 0.5000 0.2887 0.0095 ( 668 PWs) bands (ev): 3.6760 3.6791 7.4538 7.4593 9.8449 9.9069 10.2422 10.2951 12.8586 12.9837 13.2274 13.3872 14.9080 14.9266 15.5036 15.5340 19.3037 19.3071 23.2613 23.2882 25.4983 25.5099 k = 0.5000 0.2887-0.0000 ( 668 PWs) bands (ev): 3.6770 3.6770 7.4562 7.4562 9.8824 9.8824 10.2600 10.2600 12.9257 12.9257 13.3073 13.3073 14.9137 14.9137 15.5168 15.5168 19.3107 19.3107 23.2684 23.2684 25.5089 25.5089 k = 0.3333 0.5774-0.0000 ( 672 PWs) bands (ev): 4.0953 4.3028 7.6745 7.6837 9.8287 9.8592 10.2374 10.6801 11.8631 12.3649 13.1600 13.7820 13.8369 13.9712 14.0883 14.9877 20.0060 20.3109 26.5694 26.5756 26.6586 26.8915 k = 0.3333 0.5774 0.0095 ( 672 PWs) bands (ev): 4.0954 4.3029 7.6770 7.6862 9.8252 9.8572 10.2359 10.6774 11.8636 12.3527 13.1751 13.7827 13.8372 13.9760 14.0920 14.9895 20.0030 20.3081 26.5642 26.5698 26.6575 26.8900 k = 0.3333 0.5774 0.0190 ( 672 PWs) bands (ev): 4.0958 4.3031 7.6844 7.6937 9.8149 9.8514 10.2314 10.6691 11.8651 12.3187 13.2178 13.7846 13.8381 13.9903 14.1031 14.9950 19.9942 20.2996 26.5489 26.5529 26.6538 26.8855 k = 0.3333 0.5774 0.0286 ( 672 PWs) bands (ev): 4.0964 4.3034 7.6967 7.7062 9.7977 9.8416 10.2239 10.6555 11.8675 12.2689 13.2819 13.7878 13.8396 14.0140 14.1217 15.0042 19.9799 20.2859 26.5236 26.5258 26.6466 26.8779 k = 0.3333 0.5774 0.0381 ( 672 PWs) bands (ev): 4.0973 4.3039 7.7140 7.7237 9.7742 9.8280 10.2134 10.6367 11.8709 12.2096 13.3611 13.7923 13.8418 14.0469 14.1478 15.0169 19.9596 20.2663 26.4889 26.4893 26.6352 26.8674 k = 0.3333 0.5774 0.0476 ( 672 PWs) bands (ev): 4.0985 4.3045 7.7362 7.7462 9.7445 9.8104 10.2001 10.6128 11.8751 12.1454 13.4503 13.7980 13.8447 14.0886 14.1815 15.0329 19.9339 20.2414 26.4439 26.4450 26.6192 26.8537 k = 0.3333 0.5774 0.0571 ( 672 PWs) bands (ev): 4.0998 4.3052 7.7632 7.7736 9.7091 9.7889 10.1841 10.5843 11.8802 12.0796 13.5459 13.8049 13.8483 14.1387 14.2229 15.0522 19.9029 20.2114 26.3898 26.3922 26.5985 26.8370 k = 0.3333 0.5774 0.0667 ( 678 PWs) bands (ev): 4.1014 4.3060 7.7950 7.8059 9.6685 9.7634 10.1654 10.5513 11.8862 12.0144 13.6450 13.8131 13.8526 14.1968 14.2723 15.0746 19.8671 20.1765 26.3271 26.3308 26.5730 26.8171 k = 0.3333 0.5774 0.0762 ( 678 PWs) bands (ev): 4.1033 4.3069 7.8316 7.8432 9.6233 9.7339 10.1444 10.5144 11.8929 11.9512 13.7455 13.8224 13.8577 14.2625 14.3302 15.0998 19.8266 20.1369 26.2563 26.2612 26.5427 26.7939 k = 0.3333 0.5774 0.0857 ( 672 PWs) bands (ev): 4.1054 4.3080 7.8729 7.8852 9.5738 9.7006 10.1212 10.4738 11.8910 11.9004 13.8330 13.8455 13.8636 14.3352 14.3970 15.1277 19.7820 20.0929 26.1773 26.1835 26.5077 26.7676 k = 0.3333 0.5774 0.0952 ( 672 PWs) bands (ev): 4.1077 4.3092 7.9189 7.9321 9.5207 9.6635 10.0959 10.4299 11.8344 11.9086 13.8446 13.8703 13.9433 14.4145 14.4732 15.1579 19.7334 20.0448 26.0904 26.0980 26.4677 26.7378 k = 0.3333 0.5774 0.1047 ( 675 PWs) bands (ev): 4.1102 4.3104 7.9693 7.9836 9.4644 9.6227 10.0687 10.3831 11.7818 11.9175 13.8573 13.8779 14.0378 14.4998 14.5590 15.1903 19.6810 19.9927 25.9958 26.0049 26.4229 26.7045 k = 0.3333 0.5774 0.1143 ( 675 PWs) bands (ev): 4.1129 4.3117 8.0243 8.0398 9.4054 9.5784 10.0400 10.3339 11.7335 11.9270 13.8711 13.8863 14.1283 14.5907 14.6543 15.2247 19.6258 19.9372 25.8939 25.9046 26.3734 26.6676 k = 0.3333 0.5774 0.1238 ( 675 PWs) bands (ev): 4.1158 4.3130 8.0836 8.1005 9.3442 9.5307 10.0099 10.2826 11.6895 11.9372 13.8860 13.8956 14.2148 14.6868 14.7585 15.2607 19.5678 19.8786 25.7848 25.7974 26.3189 26.6271 k = 0.3333 0.5774 0.1333 ( 675 PWs) bands (ev): 4.1188 4.3144 8.1470 8.1657 9.2813 9.4800 9.9787 10.2295 11.6498 11.9480 13.9018 13.9056 14.2975 14.7877 14.8707 15.2982 19.5074 19.8170 25.6691 25.6835 26.2596 26.5829 k = 0.3333 0.5774 0.1428 ( 675 PWs) bands (ev): 4.1220 4.3159 8.2146 8.2352 9.2171 9.4265 9.9467 10.1752 11.6143 11.9593 13.9165 13.9185 14.3770 14.8929 14.9898 15.3369 19.4450 19.7529 25.5469 25.5633 26.1954 26.5347 k = 0.3333 0.5774 0.1523 ( 672 PWs) bands (ev): 4.1253 4.3174 8.2859 8.3087 9.1521 9.3704 9.9142 10.1198 11.5828 11.9711 13.9282 13.9361 14.4540 15.0022 15.1146 15.3767 19.3810 19.6865 25.4187 25.4372 26.1264 26.4826 k = 0.3333 0.5774 0.1619 ( 672 PWs) bands (ev): 4.1288 4.3188 8.3608 8.3860 9.0869 9.3122 9.8816 10.0638 11.5551 11.9835 13.9406 13.9545 14.5290 15.1152 15.2441 15.4172 19.3156 19.6181 25.2848 25.3055 26.0523 26.4263 k = 0.3333 0.5774 0.1714 ( 678 PWs) bands (ev): 4.1323 4.3203 8.4390 8.4664 9.0223 9.2521 9.8492 10.0073 11.5310 11.9963 13.9536 13.9736 14.6024 15.2315 15.3773 15.4582 19.2492 19.5479 25.1455 25.1684 25.9733 26.3656 k = 0.3333 0.5774 0.1809 ( 678 PWs) bands (ev): 4.1360 4.3218 8.5200 8.5487 8.9598 9.1905 9.8176 9.9508 11.5102 12.0096 13.9673 13.9934 14.6747 15.3510 15.4996 15.5138 19.1823 19.4763 25.0014 25.0266 25.8894 26.3006 k = 0.3333 0.5774 0.1904 ( 678 PWs) bands (ev): 4.1397 4.3233 8.6033 8.6286 8.9037 9.1277 9.7873 9.8944 11.4925 12.0232 13.9815 14.0138 14.7460 15.4734 15.5412 15.6528 19.1149 19.4035 24.8528 24.8803 25.8007 26.2313 k = 0.3333 0.5774 0.2000 ( 678 PWs) bands (ev): 4.1436 4.3247 8.6880 8.6895 8.8708 9.0640 9.7593 9.8383 11.4776 12.0373 13.9962 14.0347 14.8165 15.5828 15.5984 15.7939 19.0476 19.3299 24.7001 24.7299 25.7073 26.1573 k = 0.3333 0.5774 0.2095 ( 678 PWs) bands (ev): 4.1474 4.3261 8.6913 8.7732 8.9012 8.9997 9.7345 9.7827 11.4653 12.0517 14.0113 14.0561 14.8862 15.6243 15.7258 15.9367 18.9804 19.2557 24.5436 24.5758 25.6092 26.0788 k = 0.3333 0.5774 0.2190 ( 678 PWs) bands (ev): 4.1513 4.3274 8.6468 8.8572 8.9352 8.9822 9.7148 9.7279 11.4553 12.0664 14.0267 14.0778 14.9552 15.6653 15.8555 16.0809 18.9138 19.1811 24.3839 24.4183 25.5065 25.9956 k = 0.3333 0.5774 0.2285 ( 678 PWs) bands (ev): 4.1552 4.3286 8.5895 8.8706 8.9375 9.0803 9.6740 9.7024 11.4473 12.0814 14.0423 14.0997 15.0235 15.7059 15.9872 16.2261 18.8479 19.1064 24.2212 24.2579 25.3993 25.9078 k = 0.3333 0.5774 0.2380 ( 684 PWs) bands (ev): 4.1591 4.3298 8.5290 8.8063 9.0108 9.1860 9.6210 9.7007 11.4413 12.0967 14.0579 14.1218 15.0911 15.7458 16.1209 16.3720 18.7829 19.0319 24.0560 24.0949 25.2878 25.8153 k = 0.3333 0.5774 0.2476 ( 684 PWs) bands (ev): 4.1630 4.3309 8.4678 8.7425 9.0729 9.2966 9.5692 9.7140 11.4369 12.1121 14.0736 14.1439 15.1580 15.7849 16.2563 16.5184 18.7192 18.9580 23.8888 23.9296 25.1721 25.7182 k = 0.3333 0.5774 0.2571 ( 678 PWs) bands (ev): 4.1668 4.3319 8.4071 8.6794 9.1197 9.4110 9.5186 9.7462 11.4339 12.1277 14.0891 14.1660 15.2242 15.8231 16.3933 16.6648 18.6570 18.8851 23.7198 23.7626 25.0526 25.6166 k = 0.3333 0.5774 0.2666 ( 678 PWs) bands (ev): 4.1707 4.3328 8.3472 8.6172 9.1490 9.4694 9.5287 9.7994 11.4324 12.1435 14.1043 14.1878 15.2896 15.8602 16.5318 16.8109 18.5963 18.8134 23.5494 23.5941 24.9293 25.5105 k = 0.3333 0.5774 0.2761 ( 672 PWs) bands (ev): 4.1744 4.3337 8.2885 8.5561 9.1622 9.4217 9.6492 9.8721 11.4319 12.1594 14.1192 14.2093 15.3543 15.8962 16.6718 16.9562 18.5375 18.7437 23.3782 23.4246 24.8025 25.4002 k = 0.3333 0.5774 0.2857 ( 663 PWs) bands (ev): 4.1782 4.3344 8.2312 8.4963 9.1626 9.3754 9.7723 9.9609 11.4325 12.1753 14.1335 14.2304 15.4181 15.9310 16.8130 17.0998 18.4806 18.6766 23.2065 23.2544 24.6724 25.2857 k = 0.3333 0.5774 0.2952 ( 663 PWs) bands (ev): 4.1817 4.3350 8.1753 8.4379 9.1542 9.3307 9.8976 10.0616 11.4340 12.1913 14.1471 14.2508 15.4811 15.9644 16.9553 17.2406 18.4257 18.6133 23.0347 23.0840 24.5392 25.1673 k = 0.3333 0.5774 0.3047 ( 663 PWs) bands (ev): 4.1852 4.3355 8.1212 8.3811 9.1398 9.2877 10.0247 10.1711 11.4362 12.2073 14.1600 14.2705 15.5433 15.9964 17.0987 17.3768 18.3731 18.5555 22.8633 22.9137 24.4031 25.0451 k = 0.3333 0.5774 0.3142 ( 663 PWs) bands (ev): 4.1886 4.3359 8.0688 8.3259 9.1219 9.2463 10.1534 10.2870 11.4390 12.2233 14.1719 14.2892 15.6046 16.0269 17.2430 17.5056 18.3229 18.5064 22.6927 22.7441 24.2645 24.9195 k = 0.3333 0.5774 0.3237 ( 663 PWs) bands (ev): 4.1919 4.3362 8.0183 8.2726 9.1017 9.2066 10.2832 10.4075 11.4424 12.2392 14.1827 14.3069 15.6650 16.0559 17.3882 17.6219 18.2751 18.4707 22.5233 22.5755 24.1236 24.7906 k = 0.3333 0.5774 0.3333 ( 663 PWs) bands (ev): 4.1950 4.3364 7.9697 8.2211 9.0804 9.1688 10.4138 10.5314 11.4462 12.2551 14.1924 14.3234 15.7247 16.0833 17.5341 17.7179 18.2298 18.4563 22.3557 22.4084 23.9805 24.6589 k = 0.3333 0.5774 0.3428 ( 663 PWs) bands (ev): 4.1981 4.3365 7.9230 8.1717 9.0586 9.1327 10.5448 10.6576 11.4504 12.2710 14.2006 14.3385 15.7834 16.1091 17.6807 17.7838 18.1872 18.4729 22.1904 22.2434 23.8356 24.5245 k = 0.3333 0.5774 0.3523 ( 663 PWs) bands (ev): 4.2009 4.3365 7.8785 8.1244 9.0368 9.0984 10.6757 10.7853 11.4548 12.2869 14.2073 14.3520 15.8413 16.1332 17.8138 17.8278 18.1473 18.5264 22.0278 22.0809 23.6892 24.3878 k = 0.3333 0.5774 0.3618 ( 663 PWs) bands (ev): 4.2037 4.3364 7.8361 8.0792 9.0154 9.0660 10.8060 10.9138 11.4595 12.3028 14.2125 14.3639 15.8984 16.1557 17.8116 17.9753 18.1100 18.6130 21.8686 21.9214 23.5414 24.2492 k = 0.3333 0.5774 0.3714 ( 663 PWs) bands (ev): 4.2062 4.3363 7.7958 8.0363 8.9945 9.0354 10.9351 11.0423 11.4642 12.3187 14.2158 14.3739 15.9546 16.1765 17.7869 18.0755 18.1230 18.7229 21.7133 21.7656 23.3925 24.1090 k = 0.3333 0.5774 0.3809 ( 663 PWs) bands (ev): 4.2087 4.3360 7.7578 7.9956 8.9745 9.0066 11.0623 11.1703 11.4689 12.3348 14.2173 14.3819 16.0100 16.1957 17.7486 18.0437 18.2710 18.8470 21.5625 21.6140 23.2429 23.9676 k = 0.3333 0.5774 0.3904 ( 663 PWs) bands (ev): 4.2109 4.3358 7.7221 7.9574 8.9554 8.9798 11.1870 11.2970 11.4737 12.3511 14.2169 14.3878 16.0645 16.2133 17.7024 18.0146 18.4188 18.9794 21.4170 21.4673 23.0927 23.8254 k = 0.3333 0.5774 0.3999 ( 660 PWs) bands (ev): 4.2131 4.3355 7.6886 7.9215 8.9374 8.9549 11.3082 11.4217 11.4783 12.3678 14.2145 14.3916 16.1182 16.2293 17.6520 17.9881 18.5663 19.1163 21.2772 21.3261 22.9422 23.6828 k = 0.3333 0.5774 0.4094 ( 660 PWs) bands (ev): 4.2150 4.3351 7.6575 7.8882 8.9204 8.9318 11.4251 11.4828 11.5437 12.3852 14.2101 14.3931 16.1710 16.2438 17.5992 17.9641 18.7133 19.2556 21.1441 21.1912 22.7919 23.5404 k = 0.3333 0.5774 0.4190 ( 660 PWs) bands (ev): 4.2168 4.3348 7.6288 7.8574 8.9047 8.9105 11.4872 11.5366 11.6622 12.4034 14.2037 14.3924 16.2229 16.2568 17.5455 17.9427 18.8595 19.3955 21.0183 21.0631 22.6422 23.3987 k = 0.3333 0.5774 0.4285 ( 660 PWs) bands (ev): 4.2185 4.3344 7.6024 7.8291 8.8902 8.8912 11.4913 11.6414 11.7762 12.4228 14.1955 14.3896 16.2684 16.2737 17.4916 17.9236 19.0042 19.5348 20.9007 20.9428 22.4934 23.2584 k = 0.3333 0.5774 0.4380 ( 654 PWs) bands (ev): 4.2199 4.3340 7.5786 7.8034 8.8737 8.8770 11.4951 11.7383 11.8849 12.4437 14.1855 14.3848 16.2786 16.3235 17.4383 17.9069 19.1470 19.6722 20.7920 20.8309 22.3462 23.1205 k = 0.3333 0.5774 0.4475 ( 654 PWs) bands (ev): 4.2213 4.3336 7.5571 7.7804 8.8581 8.8651 11.4986 11.8259 11.9871 12.4665 14.1741 14.3782 16.2875 16.3719 17.3861 17.8923 19.2868 19.8066 20.6932 20.7281 22.2013 22.9858 k = 0.3333 0.5774 0.4570 ( 654 PWs) bands (ev): 4.2224 4.3333 7.5382 7.7599 8.8443 8.8546 11.5018 11.9029 12.0819 12.4912 14.1617 14.3702 16.2952 16.4188 17.3354 17.8798 19.4225 19.9364 20.6053 20.6353 22.0597 22.8558 k = 0.3333 0.5774 0.4666 ( 654 PWs) bands (ev): 4.2234 4.3329 7.5217 7.7422 8.8324 8.8455 11.5047 11.9684 12.1679 12.5176 14.1487 14.3613 16.3017 16.4637 17.2870 17.8693 19.5523 20.0599 20.5295 20.5531 21.9229 22.7323 k = 0.3333 0.5774 0.4761 ( 654 PWs) bands (ev): 4.2243 4.3326 7.5077 7.7272 8.8223 8.8377 11.5071 12.0221 12.2438 12.5448 14.1358 14.3521 16.3071 16.5059 17.2416 17.8607 19.6733 20.1746 20.4670 20.4822 21.7930 22.6174 k = 0.3333 0.5774 0.4856 ( 654 PWs) bands (ev): 4.2249 4.3324 7.4963 7.7148 8.8141 8.8313 11.5091 12.0641 12.3085 12.5713 14.1236 14.3431 16.3114 16.5445 17.2003 17.8538 19.7815 20.2776 20.4195 20.4233 21.6730 22.5143 k = 0.3333 0.5774 0.4951 ( 654 PWs) bands (ev): 4.2255 4.3322 7.4874 7.7052 8.8077 8.8264 11.5107 12.0952 12.3605 12.5950 14.1130 14.3352 16.3147 16.5781 17.1645 17.8485 19.8715 20.3651 20.3768 20.3884 21.5673 22.4268 k = 0.3333 0.5774 0.5047 ( 654 PWs) bands (ev): 4.2259 4.3320 7.4810 7.6984 8.8031 8.8228 11.5118 12.1164 12.3986 12.6138 14.1048 14.3289 16.3170 16.6047 17.1363 17.8448 19.9375 20.3433 20.3736 20.4325 21.4824 22.3593 k = 0.3333 0.5774 0.5142 ( 654 PWs) bands (ev): 4.2261 4.3320 7.4772 7.6942 8.8004 8.8207 11.5125 12.1288 12.4219 12.6259 14.0996 14.3249 16.3184 16.6221 17.1179 17.8426 19.9763 20.3231 20.3705 20.4754 21.4263 22.3163 k = 0.3333 0.5774 0.5237 ( 654 PWs) bands (ev): 4.2262 4.3319 7.4759 7.6929 8.7995 8.8200 11.5128 12.1328 12.4298 12.6301 14.0978 14.3235 16.3189 16.6282 17.1115 17.8419 19.9888 20.3163 20.3710 20.4902 21.4065 22.3015 Writing output data file PtC.save init_run : 4.46s CPU 13.71s WALL ( 1 calls) electrons : 146.95s CPU 152.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.27s CPU 1.39s WALL ( 1 calls) Called by electrons: c_bands : 146.92s CPU 151.94s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.81s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.43s WALL ( 1 calls) newd : 0.17s CPU 0.58s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 506 calls) cegterg : 114.92s CPU 116.34s WALL ( 837 calls) Called by sum_band: Called by *egterg: h_psi : 55.09s CPU 60.91s WALL ( 13623 calls) s_psi : 3.08s CPU 4.53s WALL ( 13623 calls) g_psi : 0.03s CPU 0.09s WALL ( 12280 calls) cdiaghg : 37.80s CPU 36.45s WALL ( 12786 calls) cegterg:over : 10.76s CPU 8.27s WALL ( 12280 calls) cegterg:upda : 0.22s CPU 0.70s WALL ( 12280 calls) cegterg:last : 0.11s CPU 0.57s WALL ( 2812 calls) Called by h_psi: h_psi:vloc : 45.94s CPU 51.98s WALL ( 13623 calls) h_psi:vnl : 9.13s CPU 8.78s WALL ( 13623 calls) add_vuspsi : 1.00s CPU 2.93s WALL ( 13623 calls) General routines calbec : 8.11s CPU 5.79s WALL ( 13623 calls) fft : 0.33s CPU 1.19s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 44.21s CPU 49.49s WALL ( 741484 calls) interpolate : 0.09s CPU 0.09s WALL ( 4 calls) davcio : 0.03s CPU 1.82s WALL ( 1012 calls) Parallel routines fft_scatter : 34.08s CPU 37.50s WALL ( 741507 calls) PWSCF : 3m 1.67s CPU 5m51.48s WALL This run was terminated on: 17:36:40 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=