Program PWSCF v.5.1.1 starts on 30Jul2015 at 17:31:25 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: ./MoC.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 14 8 2 284 130 22 Max 15 9 3 289 141 27 Sum 673 421 127 13759 6587 1195 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.4764 a.u. unit-cell volume = 137.8719 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.476426 celldm(2)= 1.000000 celldm(3)= 0.969289 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 0.969289 ) 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 1.031684 ) PseudoPot. # 1 for Mo read from file: /home/autes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 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 Mo 14.00 95.94000 Mo( 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= 523 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 2) = ( 0.0079365 0.0045821 -0.0000000), wk = 0.0019120 k( 3) = ( 0.0158730 0.0091643 -0.0000000), wk = 0.0019120 k( 4) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0019120 k( 5) = ( 0.0317460 0.0183286 -0.0000000), wk = 0.0019120 k( 6) = ( 0.0396825 0.0229107 -0.0000000), wk = 0.0019120 k( 7) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0019120 k( 8) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0019120 k( 9) = ( 0.0634921 0.0366572 -0.0000000), wk = 0.0019120 k( 10) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0019120 k( 11) = ( 0.0793651 0.0458215 -0.0000000), wk = 0.0019120 k( 12) = ( 0.0873016 0.0504036 -0.0000000), wk = 0.0019120 k( 13) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0019120 k( 14) = ( 0.1031746 0.0595679 -0.0000000), wk = 0.0019120 k( 15) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0019120 k( 16) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0019120 k( 17) = ( 0.1269841 0.0733143 -0.0000000), wk = 0.0019120 k( 18) = ( 0.1349206 0.0778965 -0.0000000), wk = 0.0019120 k( 19) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0019120 k( 20) = ( 0.1507937 0.0870608 -0.0000000), wk = 0.0019120 k( 21) = ( 0.1587302 0.0916429 -0.0000000), wk = 0.0019120 k( 22) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0019120 k( 23) = ( 0.1746032 0.1008072 -0.0000000), wk = 0.0019120 k( 24) = ( 0.1825397 0.1053893 -0.0000000), wk = 0.0019120 k( 25) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0019120 k( 26) = ( 0.1984127 0.1145536 -0.0000000), wk = 0.0019120 k( 27) = ( 0.2063492 0.1191358 -0.0000000), wk = 0.0019120 k( 28) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0019120 k( 29) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0019120 k( 30) = ( 0.2301587 0.1328822 -0.0000000), wk = 0.0019120 k( 31) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0019120 k( 32) = ( 0.2460317 0.1420465 -0.0000000), wk = 0.0019120 k( 33) = ( 0.2539683 0.1466286 -0.0000000), wk = 0.0019120 k( 34) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0019120 k( 35) = ( 0.2698413 0.1557929 -0.0000000), wk = 0.0019120 k( 36) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0019120 k( 37) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0019120 k( 38) = ( 0.2936508 0.1695394 -0.0000000), wk = 0.0019120 k( 39) = ( 0.3015873 0.1741215 -0.0000000), wk = 0.0019120 k( 40) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0019120 k( 41) = ( 0.3174603 0.1832858 -0.0000000), wk = 0.0019120 k( 42) = ( 0.3253968 0.1878679 -0.0000000), wk = 0.0019120 k( 43) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0019120 k( 44) = ( 0.3412698 0.1970322 -0.0000000), wk = 0.0019120 k( 45) = ( 0.3492063 0.2016144 -0.0000000), wk = 0.0019120 k( 46) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0019120 k( 47) = ( 0.3650794 0.2107787 -0.0000000), wk = 0.0019120 k( 48) = ( 0.3730159 0.2153608 -0.0000000), wk = 0.0019120 k( 49) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0019120 k( 50) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0019120 k( 51) = ( 0.3968254 0.2291073 -0.0000000), wk = 0.0019120 k( 52) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0019120 k( 53) = ( 0.4126984 0.2382715 -0.0000000), wk = 0.0019120 k( 54) = ( 0.4206349 0.2428537 -0.0000000), wk = 0.0019120 k( 55) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0019120 k( 56) = ( 0.4365079 0.2520180 -0.0000000), wk = 0.0019120 k( 57) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0019120 k( 58) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0019120 k( 59) = ( 0.4603175 0.2657644 -0.0000000), wk = 0.0019120 k( 60) = ( 0.4682540 0.2703466 -0.0000000), wk = 0.0019120 k( 61) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0019120 k( 62) = ( 0.4841270 0.2795108 -0.0000000), wk = 0.0019120 k( 63) = ( 0.4920635 0.2840930 -0.0000000), wk = 0.0019120 k( 64) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019120 k( 65) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019120 k( 66) = ( 0.4954955 0.2964772 -0.0000000), wk = 0.0019120 k( 67) = ( 0.4909910 0.3042792 -0.0000000), wk = 0.0019120 k( 68) = ( 0.4864865 0.3120812 -0.0000000), wk = 0.0019120 k( 69) = ( 0.4819820 0.3198833 -0.0000000), wk = 0.0019120 k( 70) = ( 0.4774775 0.3276853 -0.0000000), wk = 0.0019120 k( 71) = ( 0.4729730 0.3354873 -0.0000000), wk = 0.0019120 k( 72) = ( 0.4684685 0.3432893 -0.0000000), wk = 0.0019120 k( 73) = ( 0.4639640 0.3510914 -0.0000000), wk = 0.0019120 k( 74) = ( 0.4594595 0.3588934 -0.0000000), wk = 0.0019120 k( 75) = ( 0.4549550 0.3666954 -0.0000000), wk = 0.0019120 k( 76) = ( 0.4504505 0.3744975 -0.0000000), wk = 0.0019120 k( 77) = ( 0.4459459 0.3822995 -0.0000000), wk = 0.0019120 k( 78) = ( 0.4414414 0.3901015 -0.0000000), wk = 0.0019120 k( 79) = ( 0.4369369 0.3979036 -0.0000000), wk = 0.0019120 k( 80) = ( 0.4324324 0.4057056 -0.0000000), wk = 0.0019120 k( 81) = ( 0.4279279 0.4135076 -0.0000000), wk = 0.0019120 k( 82) = ( 0.4234234 0.4213097 -0.0000000), wk = 0.0019120 k( 83) = ( 0.4189189 0.4291117 -0.0000000), wk = 0.0019120 k( 84) = ( 0.4144144 0.4369137 -0.0000000), wk = 0.0019120 k( 85) = ( 0.4099099 0.4447157 -0.0000000), wk = 0.0019120 k( 86) = ( 0.4054054 0.4525178 -0.0000000), wk = 0.0019120 k( 87) = ( 0.4009009 0.4603198 -0.0000000), wk = 0.0019120 k( 88) = ( 0.3963964 0.4681218 -0.0000000), wk = 0.0019120 k( 89) = ( 0.3918919 0.4759239 -0.0000000), wk = 0.0019120 k( 90) = ( 0.3873874 0.4837259 -0.0000000), wk = 0.0019120 k( 91) = ( 0.3828829 0.4915279 -0.0000000), wk = 0.0019120 k( 92) = ( 0.3783784 0.4993300 -0.0000000), wk = 0.0019120 k( 93) = ( 0.3738739 0.5071320 -0.0000000), wk = 0.0019120 k( 94) = ( 0.3693694 0.5149340 -0.0000000), wk = 0.0019120 k( 95) = ( 0.3648649 0.5227361 -0.0000000), wk = 0.0019120 k( 96) = ( 0.3603604 0.5305381 -0.0000000), wk = 0.0019120 k( 97) = ( 0.3558559 0.5383401 -0.0000000), wk = 0.0019120 k( 98) = ( 0.3513514 0.5461421 -0.0000000), wk = 0.0019120 k( 99) = ( 0.3468468 0.5539442 -0.0000000), wk = 0.0019120 k( 100) = ( 0.3423423 0.5617462 -0.0000000), wk = 0.0019120 k( 101) = ( 0.3378378 0.5695482 -0.0000000), wk = 0.0019120 k( 102) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019120 k( 103) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019120 k( 104) = ( 0.3287671 0.5694414 -0.0000000), wk = 0.0019120 k( 105) = ( 0.3242009 0.5615324 -0.0000000), wk = 0.0019120 k( 106) = ( 0.3196347 0.5536235 -0.0000000), wk = 0.0019120 k( 107) = ( 0.3150685 0.5457146 -0.0000000), wk = 0.0019120 k( 108) = ( 0.3105023 0.5378057 -0.0000000), wk = 0.0019120 k( 109) = ( 0.3059361 0.5298968 -0.0000000), wk = 0.0019120 k( 110) = ( 0.3013699 0.5219879 -0.0000000), wk = 0.0019120 k( 111) = ( 0.2968036 0.5140790 -0.0000000), wk = 0.0019120 k( 112) = ( 0.2922374 0.5061701 -0.0000000), wk = 0.0019120 k( 113) = ( 0.2876712 0.4982612 -0.0000000), wk = 0.0019120 k( 114) = ( 0.2831050 0.4903523 -0.0000000), wk = 0.0019120 k( 115) = ( 0.2785388 0.4824434 -0.0000000), wk = 0.0019120 k( 116) = ( 0.2739726 0.4745345 -0.0000000), wk = 0.0019120 k( 117) = ( 0.2694064 0.4666256 -0.0000000), wk = 0.0019120 k( 118) = ( 0.2648402 0.4587166 -0.0000000), wk = 0.0019120 k( 119) = ( 0.2602740 0.4508077 -0.0000000), wk = 0.0019120 k( 120) = ( 0.2557078 0.4428988 -0.0000000), wk = 0.0019120 k( 121) = ( 0.2511415 0.4349899 -0.0000000), wk = 0.0019120 k( 122) = ( 0.2465753 0.4270810 -0.0000000), wk = 0.0019120 k( 123) = ( 0.2420091 0.4191721 -0.0000000), wk = 0.0019120 k( 124) = ( 0.2374429 0.4112632 -0.0000000), wk = 0.0019120 k( 125) = ( 0.2328767 0.4033543 -0.0000000), wk = 0.0019120 k( 126) = ( 0.2283105 0.3954454 -0.0000000), wk = 0.0019120 k( 127) = ( 0.2237443 0.3875365 -0.0000000), wk = 0.0019120 k( 128) = ( 0.2191781 0.3796276 -0.0000000), wk = 0.0019120 k( 129) = ( 0.2146119 0.3717187 -0.0000000), wk = 0.0019120 k( 130) = ( 0.2100457 0.3638098 -0.0000000), wk = 0.0019120 k( 131) = ( 0.2054795 0.3559008 -0.0000000), wk = 0.0019120 k( 132) = ( 0.2009132 0.3479919 -0.0000000), wk = 0.0019120 k( 133) = ( 0.1963470 0.3400830 -0.0000000), wk = 0.0019120 k( 134) = ( 0.1917808 0.3321741 -0.0000000), wk = 0.0019120 k( 135) = ( 0.1872146 0.3242652 -0.0000000), wk = 0.0019120 k( 136) = ( 0.1826484 0.3163563 -0.0000000), wk = 0.0019120 k( 137) = ( 0.1780822 0.3084474 -0.0000000), wk = 0.0019120 k( 138) = ( 0.1735160 0.3005385 -0.0000000), wk = 0.0019120 k( 139) = ( 0.1689498 0.2926296 -0.0000000), wk = 0.0019120 k( 140) = ( 0.1643836 0.2847207 -0.0000000), wk = 0.0019120 k( 141) = ( 0.1598173 0.2768118 -0.0000000), wk = 0.0019120 k( 142) = ( 0.1552511 0.2689029 -0.0000000), wk = 0.0019120 k( 143) = ( 0.1506849 0.2609940 -0.0000000), wk = 0.0019120 k( 144) = ( 0.1461187 0.2530850 -0.0000000), wk = 0.0019120 k( 145) = ( 0.1415525 0.2451761 -0.0000000), wk = 0.0019120 k( 146) = ( 0.1369863 0.2372672 -0.0000000), wk = 0.0019120 k( 147) = ( 0.1324201 0.2293583 -0.0000000), wk = 0.0019120 k( 148) = ( 0.1278539 0.2214494 -0.0000000), wk = 0.0019120 k( 149) = ( 0.1232877 0.2135405 -0.0000000), wk = 0.0019120 k( 150) = ( 0.1187215 0.2056316 -0.0000000), wk = 0.0019120 k( 151) = ( 0.1141552 0.1977227 -0.0000000), wk = 0.0019120 k( 152) = ( 0.1095890 0.1898138 -0.0000000), wk = 0.0019120 k( 153) = ( 0.1050228 0.1819049 -0.0000000), wk = 0.0019120 k( 154) = ( 0.1004566 0.1739960 -0.0000000), wk = 0.0019120 k( 155) = ( 0.0958904 0.1660871 -0.0000000), wk = 0.0019120 k( 156) = ( 0.0913242 0.1581782 -0.0000000), wk = 0.0019120 k( 157) = ( 0.0867580 0.1502692 -0.0000000), wk = 0.0019120 k( 158) = ( 0.0821918 0.1423603 -0.0000000), wk = 0.0019120 k( 159) = ( 0.0776256 0.1344514 -0.0000000), wk = 0.0019120 k( 160) = ( 0.0730594 0.1265425 -0.0000000), wk = 0.0019120 k( 161) = ( 0.0684932 0.1186336 -0.0000000), wk = 0.0019120 k( 162) = ( 0.0639269 0.1107247 -0.0000000), wk = 0.0019120 k( 163) = ( 0.0593607 0.1028158 -0.0000000), wk = 0.0019120 k( 164) = ( 0.0547945 0.0949069 -0.0000000), wk = 0.0019120 k( 165) = ( 0.0502283 0.0869980 -0.0000000), wk = 0.0019120 k( 166) = ( 0.0456621 0.0790891 -0.0000000), wk = 0.0019120 k( 167) = ( 0.0410959 0.0711802 -0.0000000), wk = 0.0019120 k( 168) = ( 0.0365297 0.0632713 -0.0000000), wk = 0.0019120 k( 169) = ( 0.0319635 0.0553624 -0.0000000), wk = 0.0019120 k( 170) = ( 0.0273973 0.0474534 -0.0000000), wk = 0.0019120 k( 171) = ( 0.0228310 0.0395445 -0.0000000), wk = 0.0019120 k( 172) = ( 0.0182648 0.0316356 -0.0000000), wk = 0.0019120 k( 173) = ( 0.0136986 0.0237267 -0.0000000), wk = 0.0019120 k( 174) = ( 0.0091324 0.0158178 -0.0000000), wk = 0.0019120 k( 175) = ( 0.0045662 0.0079089 -0.0000000), wk = 0.0019120 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 178) = ( 0.0000000 0.0000000 0.0092115), wk = 0.0019120 k( 179) = ( 0.0000000 0.0000000 0.0184229), wk = 0.0019120 k( 180) = ( 0.0000000 0.0000000 0.0276344), wk = 0.0019120 k( 181) = ( 0.0000000 0.0000000 0.0368459), wk = 0.0019120 k( 182) = ( 0.0000000 0.0000000 0.0460573), wk = 0.0019120 k( 183) = ( 0.0000000 0.0000000 0.0552688), wk = 0.0019120 k( 184) = ( 0.0000000 0.0000000 0.0644802), wk = 0.0019120 k( 185) = ( 0.0000000 0.0000000 0.0736917), wk = 0.0019120 k( 186) = ( 0.0000000 0.0000000 0.0829032), wk = 0.0019120 k( 187) = ( 0.0000000 0.0000000 0.0921146), wk = 0.0019120 k( 188) = ( 0.0000000 0.0000000 0.1013261), wk = 0.0019120 k( 189) = ( 0.0000000 0.0000000 0.1105376), wk = 0.0019120 k( 190) = ( 0.0000000 0.0000000 0.1197490), wk = 0.0019120 k( 191) = ( 0.0000000 0.0000000 0.1289605), wk = 0.0019120 k( 192) = ( 0.0000000 0.0000000 0.1381719), wk = 0.0019120 k( 193) = ( 0.0000000 0.0000000 0.1473834), wk = 0.0019120 k( 194) = ( 0.0000000 0.0000000 0.1565949), wk = 0.0019120 k( 195) = ( 0.0000000 0.0000000 0.1658063), wk = 0.0019120 k( 196) = ( 0.0000000 0.0000000 0.1750178), wk = 0.0019120 k( 197) = ( 0.0000000 0.0000000 0.1842293), wk = 0.0019120 k( 198) = ( 0.0000000 0.0000000 0.1934407), wk = 0.0019120 k( 199) = ( 0.0000000 0.0000000 0.2026522), wk = 0.0019120 k( 200) = ( 0.0000000 0.0000000 0.2118636), wk = 0.0019120 k( 201) = ( 0.0000000 0.0000000 0.2210751), wk = 0.0019120 k( 202) = ( 0.0000000 0.0000000 0.2302866), wk = 0.0019120 k( 203) = ( 0.0000000 0.0000000 0.2394980), wk = 0.0019120 k( 204) = ( 0.0000000 0.0000000 0.2487095), wk = 0.0019120 k( 205) = ( 0.0000000 0.0000000 0.2579210), wk = 0.0019120 k( 206) = ( 0.0000000 0.0000000 0.2671324), wk = 0.0019120 k( 207) = ( 0.0000000 0.0000000 0.2763439), wk = 0.0019120 k( 208) = ( 0.0000000 0.0000000 0.2855554), wk = 0.0019120 k( 209) = ( 0.0000000 0.0000000 0.2947668), wk = 0.0019120 k( 210) = ( 0.0000000 0.0000000 0.3039783), wk = 0.0019120 k( 211) = ( 0.0000000 0.0000000 0.3131897), wk = 0.0019120 k( 212) = ( 0.0000000 0.0000000 0.3224012), wk = 0.0019120 k( 213) = ( 0.0000000 0.0000000 0.3316127), wk = 0.0019120 k( 214) = ( 0.0000000 0.0000000 0.3408241), wk = 0.0019120 k( 215) = ( 0.0000000 0.0000000 0.3500356), wk = 0.0019120 k( 216) = ( 0.0000000 0.0000000 0.3592471), wk = 0.0019120 k( 217) = ( 0.0000000 0.0000000 0.3684585), wk = 0.0019120 k( 218) = ( 0.0000000 0.0000000 0.3776700), wk = 0.0019120 k( 219) = ( 0.0000000 0.0000000 0.3868815), wk = 0.0019120 k( 220) = ( 0.0000000 0.0000000 0.3960929), wk = 0.0019120 k( 221) = ( 0.0000000 0.0000000 0.4053044), wk = 0.0019120 k( 222) = ( 0.0000000 0.0000000 0.4145158), wk = 0.0019120 k( 223) = ( 0.0000000 0.0000000 0.4237273), wk = 0.0019120 k( 224) = ( 0.0000000 0.0000000 0.4329388), wk = 0.0019120 k( 225) = ( 0.0000000 0.0000000 0.4421502), wk = 0.0019120 k( 226) = ( 0.0000000 0.0000000 0.4513617), wk = 0.0019120 k( 227) = ( 0.0000000 0.0000000 0.4605732), wk = 0.0019120 k( 228) = ( 0.0000000 0.0000000 0.4697846), wk = 0.0019120 k( 229) = ( 0.0000000 0.0000000 0.4789961), wk = 0.0019120 k( 230) = ( 0.0000000 0.0000000 0.4882076), wk = 0.0019120 k( 231) = ( 0.0000000 0.0000000 0.4974190), wk = 0.0019120 k( 232) = ( 0.0000000 0.0000000 0.5066305), wk = 0.0019120 k( 233) = ( 0.0000000 0.0000000 0.5158419), wk = 0.0019120 k( 234) = ( 0.0000000 0.0000000 0.5158419), wk = 0.0019120 k( 235) = ( 0.0079365 0.0045821 0.5158419), wk = 0.0019120 k( 236) = ( 0.0158730 0.0091643 0.5158419), wk = 0.0019120 k( 237) = ( 0.0238095 0.0137464 0.5158419), wk = 0.0019120 k( 238) = ( 0.0317460 0.0183286 0.5158419), wk = 0.0019120 k( 239) = ( 0.0396825 0.0229107 0.5158419), wk = 0.0019120 k( 240) = ( 0.0476191 0.0274929 0.5158419), wk = 0.0019120 k( 241) = ( 0.0555556 0.0320750 0.5158419), wk = 0.0019120 k( 242) = ( 0.0634921 0.0366572 0.5158419), wk = 0.0019120 k( 243) = ( 0.0714286 0.0412393 0.5158419), wk = 0.0019120 k( 244) = ( 0.0793651 0.0458215 0.5158419), wk = 0.0019120 k( 245) = ( 0.0873016 0.0504036 0.5158419), wk = 0.0019120 k( 246) = ( 0.0952381 0.0549857 0.5158419), wk = 0.0019120 k( 247) = ( 0.1031746 0.0595679 0.5158419), wk = 0.0019120 k( 248) = ( 0.1111111 0.0641500 0.5158419), wk = 0.0019120 k( 249) = ( 0.1190476 0.0687322 0.5158419), wk = 0.0019120 k( 250) = ( 0.1269841 0.0733143 0.5158419), wk = 0.0019120 k( 251) = ( 0.1349206 0.0778965 0.5158419), wk = 0.0019120 k( 252) = ( 0.1428571 0.0824786 0.5158419), wk = 0.0019120 k( 253) = ( 0.1507937 0.0870608 0.5158419), wk = 0.0019120 k( 254) = ( 0.1587302 0.0916429 0.5158419), wk = 0.0019120 k( 255) = ( 0.1666667 0.0962250 0.5158419), wk = 0.0019120 k( 256) = ( 0.1746032 0.1008072 0.5158419), wk = 0.0019120 k( 257) = ( 0.1825397 0.1053893 0.5158419), wk = 0.0019120 k( 258) = ( 0.1904762 0.1099715 0.5158419), wk = 0.0019120 k( 259) = ( 0.1984127 0.1145536 0.5158419), wk = 0.0019120 k( 260) = ( 0.2063492 0.1191358 0.5158419), wk = 0.0019120 k( 261) = ( 0.2142857 0.1237179 0.5158419), wk = 0.0019120 k( 262) = ( 0.2222222 0.1283001 0.5158419), wk = 0.0019120 k( 263) = ( 0.2301587 0.1328822 0.5158419), wk = 0.0019120 k( 264) = ( 0.2380952 0.1374644 0.5158419), wk = 0.0019120 k( 265) = ( 0.2460317 0.1420465 0.5158419), wk = 0.0019120 k( 266) = ( 0.2539683 0.1466286 0.5158419), wk = 0.0019120 k( 267) = ( 0.2619048 0.1512108 0.5158419), wk = 0.0019120 k( 268) = ( 0.2698413 0.1557929 0.5158419), wk = 0.0019120 k( 269) = ( 0.2777778 0.1603751 0.5158419), wk = 0.0019120 k( 270) = ( 0.2857143 0.1649572 0.5158419), wk = 0.0019120 k( 271) = ( 0.2936508 0.1695394 0.5158419), wk = 0.0019120 k( 272) = ( 0.3015873 0.1741215 0.5158419), wk = 0.0019120 k( 273) = ( 0.3095238 0.1787037 0.5158419), wk = 0.0019120 k( 274) = ( 0.3174603 0.1832858 0.5158419), wk = 0.0019120 k( 275) = ( 0.3253968 0.1878679 0.5158419), wk = 0.0019120 k( 276) = ( 0.3333333 0.1924501 0.5158419), wk = 0.0019120 k( 277) = ( 0.3412698 0.1970322 0.5158419), wk = 0.0019120 k( 278) = ( 0.3492063 0.2016144 0.5158419), wk = 0.0019120 k( 279) = ( 0.3571429 0.2061965 0.5158419), wk = 0.0019120 k( 280) = ( 0.3650794 0.2107787 0.5158419), wk = 0.0019120 k( 281) = ( 0.3730159 0.2153608 0.5158419), wk = 0.0019120 k( 282) = ( 0.3809524 0.2199430 0.5158419), wk = 0.0019120 k( 283) = ( 0.3888889 0.2245251 0.5158419), wk = 0.0019120 k( 284) = ( 0.3968254 0.2291073 0.5158419), wk = 0.0019120 k( 285) = ( 0.4047619 0.2336894 0.5158419), wk = 0.0019120 k( 286) = ( 0.4126984 0.2382715 0.5158419), wk = 0.0019120 k( 287) = ( 0.4206349 0.2428537 0.5158419), wk = 0.0019120 k( 288) = ( 0.4285714 0.2474358 0.5158419), wk = 0.0019120 k( 289) = ( 0.4365079 0.2520180 0.5158419), wk = 0.0019120 k( 290) = ( 0.4444444 0.2566001 0.5158419), wk = 0.0019120 k( 291) = ( 0.4523810 0.2611823 0.5158419), wk = 0.0019120 k( 292) = ( 0.4603175 0.2657644 0.5158419), wk = 0.0019120 k( 293) = ( 0.4682540 0.2703466 0.5158419), wk = 0.0019120 k( 294) = ( 0.4761905 0.2749287 0.5158419), wk = 0.0019120 k( 295) = ( 0.4841270 0.2795108 0.5158419), wk = 0.0019120 k( 296) = ( 0.4920635 0.2840930 0.5158419), wk = 0.0019120 k( 297) = ( 0.5000000 0.2886751 0.5158419), wk = 0.0019120 k( 298) = ( 0.5000000 0.2886751 0.5158419), wk = 0.0019120 k( 299) = ( 0.4954955 0.2964772 0.5158419), wk = 0.0019120 k( 300) = ( 0.4909910 0.3042792 0.5158419), wk = 0.0019120 k( 301) = ( 0.4864865 0.3120812 0.5158419), wk = 0.0019120 k( 302) = ( 0.4819820 0.3198833 0.5158419), wk = 0.0019120 k( 303) = ( 0.4774775 0.3276853 0.5158419), wk = 0.0019120 k( 304) = ( 0.4729730 0.3354873 0.5158419), wk = 0.0019120 k( 305) = ( 0.4684685 0.3432893 0.5158419), wk = 0.0019120 k( 306) = ( 0.4639640 0.3510914 0.5158419), wk = 0.0019120 k( 307) = ( 0.4594595 0.3588934 0.5158419), wk = 0.0019120 k( 308) = ( 0.4549550 0.3666954 0.5158419), wk = 0.0019120 k( 309) = ( 0.4504505 0.3744975 0.5158419), wk = 0.0019120 k( 310) = ( 0.4459459 0.3822995 0.5158419), wk = 0.0019120 k( 311) = ( 0.4414414 0.3901015 0.5158419), wk = 0.0019120 k( 312) = ( 0.4369369 0.3979036 0.5158419), wk = 0.0019120 k( 313) = ( 0.4324324 0.4057056 0.5158419), wk = 0.0019120 k( 314) = ( 0.4279279 0.4135076 0.5158419), wk = 0.0019120 k( 315) = ( 0.4234234 0.4213097 0.5158419), wk = 0.0019120 k( 316) = ( 0.4189189 0.4291117 0.5158419), wk = 0.0019120 k( 317) = ( 0.4144144 0.4369137 0.5158419), wk = 0.0019120 k( 318) = ( 0.4099099 0.4447157 0.5158419), wk = 0.0019120 k( 319) = ( 0.4054054 0.4525178 0.5158419), wk = 0.0019120 k( 320) = ( 0.4009009 0.4603198 0.5158419), wk = 0.0019120 k( 321) = ( 0.3963964 0.4681218 0.5158419), wk = 0.0019120 k( 322) = ( 0.3918919 0.4759239 0.5158419), wk = 0.0019120 k( 323) = ( 0.3873874 0.4837259 0.5158419), wk = 0.0019120 k( 324) = ( 0.3828829 0.4915279 0.5158419), wk = 0.0019120 k( 325) = ( 0.3783784 0.4993300 0.5158419), wk = 0.0019120 k( 326) = ( 0.3738739 0.5071320 0.5158419), wk = 0.0019120 k( 327) = ( 0.3693694 0.5149340 0.5158419), wk = 0.0019120 k( 328) = ( 0.3648649 0.5227361 0.5158419), wk = 0.0019120 k( 329) = ( 0.3603604 0.5305381 0.5158419), wk = 0.0019120 k( 330) = ( 0.3558559 0.5383401 0.5158419), wk = 0.0019120 k( 331) = ( 0.3513514 0.5461421 0.5158419), wk = 0.0019120 k( 332) = ( 0.3468468 0.5539442 0.5158419), wk = 0.0019120 k( 333) = ( 0.3423423 0.5617462 0.5158419), wk = 0.0019120 k( 334) = ( 0.3378378 0.5695482 0.5158419), wk = 0.0019120 k( 335) = ( 0.3333333 0.5773503 0.5158419), wk = 0.0019120 k( 336) = ( 0.3333333 0.5773503 0.5158419), wk = 0.0019120 k( 337) = ( 0.3287671 0.5694414 0.5158419), wk = 0.0019120 k( 338) = ( 0.3242009 0.5615324 0.5158419), wk = 0.0019120 k( 339) = ( 0.3196347 0.5536235 0.5158419), wk = 0.0019120 k( 340) = ( 0.3150685 0.5457146 0.5158419), wk = 0.0019120 k( 341) = ( 0.3105023 0.5378057 0.5158419), wk = 0.0019120 k( 342) = ( 0.3059361 0.5298968 0.5158419), wk = 0.0019120 k( 343) = ( 0.3013699 0.5219879 0.5158419), wk = 0.0019120 k( 344) = ( 0.2968036 0.5140790 0.5158419), wk = 0.0019120 k( 345) = ( 0.2922374 0.5061701 0.5158419), wk = 0.0019120 k( 346) = ( 0.2876712 0.4982612 0.5158419), wk = 0.0019120 k( 347) = ( 0.2831050 0.4903523 0.5158419), wk = 0.0019120 k( 348) = ( 0.2785388 0.4824434 0.5158419), wk = 0.0019120 k( 349) = ( 0.2739726 0.4745345 0.5158419), wk = 0.0019120 k( 350) = ( 0.2694064 0.4666256 0.5158419), wk = 0.0019120 k( 351) = ( 0.2648402 0.4587166 0.5158419), wk = 0.0019120 k( 352) = ( 0.2602740 0.4508077 0.5158419), wk = 0.0019120 k( 353) = ( 0.2557078 0.4428988 0.5158419), wk = 0.0019120 k( 354) = ( 0.2511415 0.4349899 0.5158419), wk = 0.0019120 k( 355) = ( 0.2465753 0.4270810 0.5158419), wk = 0.0019120 k( 356) = ( 0.2420091 0.4191721 0.5158419), wk = 0.0019120 k( 357) = ( 0.2374429 0.4112632 0.5158419), wk = 0.0019120 k( 358) = ( 0.2328767 0.4033543 0.5158419), wk = 0.0019120 k( 359) = ( 0.2283105 0.3954454 0.5158419), wk = 0.0019120 k( 360) = ( 0.2237443 0.3875365 0.5158419), wk = 0.0019120 k( 361) = ( 0.2191781 0.3796276 0.5158419), wk = 0.0019120 k( 362) = ( 0.2146119 0.3717187 0.5158419), wk = 0.0019120 k( 363) = ( 0.2100457 0.3638098 0.5158419), wk = 0.0019120 k( 364) = ( 0.2054795 0.3559008 0.5158419), wk = 0.0019120 k( 365) = ( 0.2009132 0.3479919 0.5158419), wk = 0.0019120 k( 366) = ( 0.1963470 0.3400830 0.5158419), wk = 0.0019120 k( 367) = ( 0.1917808 0.3321741 0.5158419), wk = 0.0019120 k( 368) = ( 0.1872146 0.3242652 0.5158419), wk = 0.0019120 k( 369) = ( 0.1826484 0.3163563 0.5158419), wk = 0.0019120 k( 370) = ( 0.1780822 0.3084474 0.5158419), wk = 0.0019120 k( 371) = ( 0.1735160 0.3005385 0.5158419), wk = 0.0019120 k( 372) = ( 0.1689498 0.2926296 0.5158419), wk = 0.0019120 k( 373) = ( 0.1643836 0.2847207 0.5158419), wk = 0.0019120 k( 374) = ( 0.1598173 0.2768118 0.5158419), wk = 0.0019120 k( 375) = ( 0.1552511 0.2689029 0.5158419), wk = 0.0019120 k( 376) = ( 0.1506849 0.2609940 0.5158419), wk = 0.0019120 k( 377) = ( 0.1461187 0.2530850 0.5158419), wk = 0.0019120 k( 378) = ( 0.1415525 0.2451761 0.5158419), wk = 0.0019120 k( 379) = ( 0.1369863 0.2372672 0.5158419), wk = 0.0019120 k( 380) = ( 0.1324201 0.2293583 0.5158419), wk = 0.0019120 k( 381) = ( 0.1278539 0.2214494 0.5158419), wk = 0.0019120 k( 382) = ( 0.1232877 0.2135405 0.5158419), wk = 0.0019120 k( 383) = ( 0.1187215 0.2056316 0.5158419), wk = 0.0019120 k( 384) = ( 0.1141552 0.1977227 0.5158419), wk = 0.0019120 k( 385) = ( 0.1095890 0.1898138 0.5158419), wk = 0.0019120 k( 386) = ( 0.1050228 0.1819049 0.5158419), wk = 0.0019120 k( 387) = ( 0.1004566 0.1739960 0.5158419), wk = 0.0019120 k( 388) = ( 0.0958904 0.1660871 0.5158419), wk = 0.0019120 k( 389) = ( 0.0913242 0.1581782 0.5158419), wk = 0.0019120 k( 390) = ( 0.0867580 0.1502692 0.5158419), wk = 0.0019120 k( 391) = ( 0.0821918 0.1423603 0.5158419), wk = 0.0019120 k( 392) = ( 0.0776256 0.1344514 0.5158419), wk = 0.0019120 k( 393) = ( 0.0730594 0.1265425 0.5158419), wk = 0.0019120 k( 394) = ( 0.0684932 0.1186336 0.5158419), wk = 0.0019120 k( 395) = ( 0.0639269 0.1107247 0.5158419), wk = 0.0019120 k( 396) = ( 0.0593607 0.1028158 0.5158419), wk = 0.0019120 k( 397) = ( 0.0547945 0.0949069 0.5158419), wk = 0.0019120 k( 398) = ( 0.0502283 0.0869980 0.5158419), wk = 0.0019120 k( 399) = ( 0.0456621 0.0790891 0.5158419), wk = 0.0019120 k( 400) = ( 0.0410959 0.0711802 0.5158419), wk = 0.0019120 k( 401) = ( 0.0365297 0.0632713 0.5158419), wk = 0.0019120 k( 402) = ( 0.0319635 0.0553624 0.5158419), wk = 0.0019120 k( 403) = ( 0.0273973 0.0474534 0.5158419), wk = 0.0019120 k( 404) = ( 0.0228310 0.0395445 0.5158419), wk = 0.0019120 k( 405) = ( 0.0182648 0.0316356 0.5158419), wk = 0.0019120 k( 406) = ( 0.0136986 0.0237267 0.5158419), wk = 0.0019120 k( 407) = ( 0.0091324 0.0158178 0.5158419), wk = 0.0019120 k( 408) = ( 0.0045662 0.0079089 0.5158419), wk = 0.0019120 k( 409) = ( 0.0000000 0.0000000 0.5158419), wk = 0.0019120 k( 410) = ( 0.5000000 0.2886751 0.5158419), wk = 0.0019120 k( 411) = ( 0.5000000 0.2886751 0.5066305), wk = 0.0019120 k( 412) = ( 0.5000000 0.2886751 0.4974190), wk = 0.0019120 k( 413) = ( 0.5000000 0.2886751 0.4882076), wk = 0.0019120 k( 414) = ( 0.5000000 0.2886751 0.4789961), wk = 0.0019120 k( 415) = ( 0.5000000 0.2886751 0.4697846), wk = 0.0019120 k( 416) = ( 0.5000000 0.2886751 0.4605732), wk = 0.0019120 k( 417) = ( 0.5000000 0.2886751 0.4513617), wk = 0.0019120 k( 418) = ( 0.5000000 0.2886751 0.4421502), wk = 0.0019120 k( 419) = ( 0.5000000 0.2886751 0.4329388), wk = 0.0019120 k( 420) = ( 0.5000000 0.2886751 0.4237273), wk = 0.0019120 k( 421) = ( 0.5000000 0.2886751 0.4145158), wk = 0.0019120 k( 422) = ( 0.5000000 0.2886751 0.4053044), wk = 0.0019120 k( 423) = ( 0.5000000 0.2886751 0.3960929), wk = 0.0019120 k( 424) = ( 0.5000000 0.2886751 0.3868815), wk = 0.0019120 k( 425) = ( 0.5000000 0.2886751 0.3776700), wk = 0.0019120 k( 426) = ( 0.5000000 0.2886751 0.3684585), wk = 0.0019120 k( 427) = ( 0.5000000 0.2886751 0.3592471), wk = 0.0019120 k( 428) = ( 0.5000000 0.2886751 0.3500356), wk = 0.0019120 k( 429) = ( 0.5000000 0.2886751 0.3408241), wk = 0.0019120 k( 430) = ( 0.5000000 0.2886751 0.3316127), wk = 0.0019120 k( 431) = ( 0.5000000 0.2886751 0.3224012), wk = 0.0019120 k( 432) = ( 0.5000000 0.2886751 0.3131897), wk = 0.0019120 k( 433) = ( 0.5000000 0.2886751 0.3039783), wk = 0.0019120 k( 434) = ( 0.5000000 0.2886751 0.2947668), wk = 0.0019120 k( 435) = ( 0.5000000 0.2886751 0.2855554), wk = 0.0019120 k( 436) = ( 0.5000000 0.2886751 0.2763439), wk = 0.0019120 k( 437) = ( 0.5000000 0.2886751 0.2671324), wk = 0.0019120 k( 438) = ( 0.5000000 0.2886751 0.2579210), wk = 0.0019120 k( 439) = ( 0.5000000 0.2886751 0.2487095), wk = 0.0019120 k( 440) = ( 0.5000000 0.2886751 0.2394980), wk = 0.0019120 k( 441) = ( 0.5000000 0.2886751 0.2302866), wk = 0.0019120 k( 442) = ( 0.5000000 0.2886751 0.2210751), wk = 0.0019120 k( 443) = ( 0.5000000 0.2886751 0.2118636), wk = 0.0019120 k( 444) = ( 0.5000000 0.2886751 0.2026522), wk = 0.0019120 k( 445) = ( 0.5000000 0.2886751 0.1934407), wk = 0.0019120 k( 446) = ( 0.5000000 0.2886751 0.1842293), wk = 0.0019120 k( 447) = ( 0.5000000 0.2886751 0.1750178), wk = 0.0019120 k( 448) = ( 0.5000000 0.2886751 0.1658063), wk = 0.0019120 k( 449) = ( 0.5000000 0.2886751 0.1565949), wk = 0.0019120 k( 450) = ( 0.5000000 0.2886751 0.1473834), wk = 0.0019120 k( 451) = ( 0.5000000 0.2886751 0.1381719), wk = 0.0019120 k( 452) = ( 0.5000000 0.2886751 0.1289605), wk = 0.0019120 k( 453) = ( 0.5000000 0.2886751 0.1197490), wk = 0.0019120 k( 454) = ( 0.5000000 0.2886751 0.1105376), wk = 0.0019120 k( 455) = ( 0.5000000 0.2886751 0.1013261), wk = 0.0019120 k( 456) = ( 0.5000000 0.2886751 0.0921146), wk = 0.0019120 k( 457) = ( 0.5000000 0.2886751 0.0829032), wk = 0.0019120 k( 458) = ( 0.5000000 0.2886751 0.0736917), wk = 0.0019120 k( 459) = ( 0.5000000 0.2886751 0.0644802), wk = 0.0019120 k( 460) = ( 0.5000000 0.2886751 0.0552688), wk = 0.0019120 k( 461) = ( 0.5000000 0.2886751 0.0460573), wk = 0.0019120 k( 462) = ( 0.5000000 0.2886751 0.0368459), wk = 0.0019120 k( 463) = ( 0.5000000 0.2886751 0.0276344), wk = 0.0019120 k( 464) = ( 0.5000000 0.2886751 0.0184229), wk = 0.0019120 k( 465) = ( 0.5000000 0.2886751 0.0092115), wk = 0.0019120 k( 466) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019120 k( 467) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019120 k( 468) = ( 0.3333333 0.5773503 0.0092115), wk = 0.0019120 k( 469) = ( 0.3333333 0.5773503 0.0184229), wk = 0.0019120 k( 470) = ( 0.3333333 0.5773503 0.0276344), wk = 0.0019120 k( 471) = ( 0.3333333 0.5773503 0.0368459), wk = 0.0019120 k( 472) = ( 0.3333333 0.5773503 0.0460573), wk = 0.0019120 k( 473) = ( 0.3333333 0.5773503 0.0552688), wk = 0.0019120 k( 474) = ( 0.3333333 0.5773503 0.0644802), wk = 0.0019120 k( 475) = ( 0.3333333 0.5773503 0.0736917), wk = 0.0019120 k( 476) = ( 0.3333333 0.5773503 0.0829032), wk = 0.0019120 k( 477) = ( 0.3333333 0.5773503 0.0921146), wk = 0.0019120 k( 478) = ( 0.3333333 0.5773503 0.1013261), wk = 0.0019120 k( 479) = ( 0.3333333 0.5773503 0.1105376), wk = 0.0019120 k( 480) = ( 0.3333333 0.5773503 0.1197490), wk = 0.0019120 k( 481) = ( 0.3333333 0.5773503 0.1289605), wk = 0.0019120 k( 482) = ( 0.3333333 0.5773503 0.1381719), wk = 0.0019120 k( 483) = ( 0.3333333 0.5773503 0.1473834), wk = 0.0019120 k( 484) = ( 0.3333333 0.5773503 0.1565949), wk = 0.0019120 k( 485) = ( 0.3333333 0.5773503 0.1658063), wk = 0.0019120 k( 486) = ( 0.3333333 0.5773503 0.1750178), wk = 0.0019120 k( 487) = ( 0.3333333 0.5773503 0.1842293), wk = 0.0019120 k( 488) = ( 0.3333333 0.5773503 0.1934407), wk = 0.0019120 k( 489) = ( 0.3333333 0.5773503 0.2026522), wk = 0.0019120 k( 490) = ( 0.3333333 0.5773503 0.2118636), wk = 0.0019120 k( 491) = ( 0.3333333 0.5773503 0.2210751), wk = 0.0019120 k( 492) = ( 0.3333333 0.5773503 0.2302866), wk = 0.0019120 k( 493) = ( 0.3333333 0.5773503 0.2394980), wk = 0.0019120 k( 494) = ( 0.3333333 0.5773503 0.2487095), wk = 0.0019120 k( 495) = ( 0.3333333 0.5773503 0.2579210), wk = 0.0019120 k( 496) = ( 0.3333333 0.5773503 0.2671324), wk = 0.0019120 k( 497) = ( 0.3333333 0.5773503 0.2763439), wk = 0.0019120 k( 498) = ( 0.3333333 0.5773503 0.2855554), wk = 0.0019120 k( 499) = ( 0.3333333 0.5773503 0.2947668), wk = 0.0019120 k( 500) = ( 0.3333333 0.5773503 0.3039783), wk = 0.0019120 k( 501) = ( 0.3333333 0.5773503 0.3131897), wk = 0.0019120 k( 502) = ( 0.3333333 0.5773503 0.3224012), wk = 0.0019120 k( 503) = ( 0.3333333 0.5773503 0.3316127), wk = 0.0019120 k( 504) = ( 0.3333333 0.5773503 0.3408241), wk = 0.0019120 k( 505) = ( 0.3333333 0.5773503 0.3500356), wk = 0.0019120 k( 506) = ( 0.3333333 0.5773503 0.3592471), wk = 0.0019120 k( 507) = ( 0.3333333 0.5773503 0.3684585), wk = 0.0019120 k( 508) = ( 0.3333333 0.5773503 0.3776700), wk = 0.0019120 k( 509) = ( 0.3333333 0.5773503 0.3868815), wk = 0.0019120 k( 510) = ( 0.3333333 0.5773503 0.3960929), wk = 0.0019120 k( 511) = ( 0.3333333 0.5773503 0.4053044), wk = 0.0019120 k( 512) = ( 0.3333333 0.5773503 0.4145158), wk = 0.0019120 k( 513) = ( 0.3333333 0.5773503 0.4237273), wk = 0.0019120 k( 514) = ( 0.3333333 0.5773503 0.4329388), wk = 0.0019120 k( 515) = ( 0.3333333 0.5773503 0.4421502), wk = 0.0019120 k( 516) = ( 0.3333333 0.5773503 0.4513617), wk = 0.0019120 k( 517) = ( 0.3333333 0.5773503 0.4605732), wk = 0.0019120 k( 518) = ( 0.3333333 0.5773503 0.4697846), wk = 0.0019120 k( 519) = ( 0.3333333 0.5773503 0.4789961), wk = 0.0019120 k( 520) = ( 0.3333333 0.5773503 0.4882076), wk = 0.0019120 k( 521) = ( 0.3333333 0.5773503 0.4974190), wk = 0.0019120 k( 522) = ( 0.3333333 0.5773503 0.5066305), wk = 0.0019120 k( 523) = ( 0.3333333 0.5773503 0.5158419), wk = 0.0019120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 2) = ( 0.0079365 0.0000000 0.0000000), wk = 0.0019120 k( 3) = ( 0.0158730 0.0000000 0.0000000), wk = 0.0019120 k( 4) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0019120 k( 5) = ( 0.0317460 0.0000000 0.0000000), wk = 0.0019120 k( 6) = ( 0.0396825 -0.0000000 0.0000000), wk = 0.0019120 k( 7) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0019120 k( 8) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0019120 k( 9) = ( 0.0634921 0.0000000 0.0000000), wk = 0.0019120 k( 10) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0019120 k( 11) = ( 0.0793651 -0.0000000 0.0000000), wk = 0.0019120 k( 12) = ( 0.0873016 -0.0000000 0.0000000), wk = 0.0019120 k( 13) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0019120 k( 14) = ( 0.1031746 0.0000000 0.0000000), wk = 0.0019120 k( 15) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0019120 k( 16) = ( 0.1190476 -0.0000000 0.0000000), wk = 0.0019120 k( 17) = ( 0.1269841 0.0000000 0.0000000), wk = 0.0019120 k( 18) = ( 0.1349206 0.0000000 0.0000000), wk = 0.0019120 k( 19) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0019120 k( 20) = ( 0.1507937 0.0000000 0.0000000), wk = 0.0019120 k( 21) = ( 0.1587302 -0.0000000 0.0000000), wk = 0.0019120 k( 22) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0019120 k( 23) = ( 0.1746032 -0.0000000 0.0000000), wk = 0.0019120 k( 24) = ( 0.1825397 -0.0000000 0.0000000), wk = 0.0019120 k( 25) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0019120 k( 26) = ( 0.1984127 0.0000000 0.0000000), wk = 0.0019120 k( 27) = ( 0.2063492 0.0000000 0.0000000), wk = 0.0019120 k( 28) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0019120 k( 29) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0019120 k( 30) = ( 0.2301587 0.0000000 0.0000000), wk = 0.0019120 k( 31) = ( 0.2380952 -0.0000000 0.0000000), wk = 0.0019120 k( 32) = ( 0.2460317 0.0000000 0.0000000), wk = 0.0019120 k( 33) = ( 0.2539683 0.0000000 0.0000000), wk = 0.0019120 k( 34) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0019120 k( 35) = ( 0.2698413 0.0000000 0.0000000), wk = 0.0019120 k( 36) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0019120 k( 37) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0019120 k( 38) = ( 0.2936508 0.0000000 0.0000000), wk = 0.0019120 k( 39) = ( 0.3015873 0.0000000 0.0000000), wk = 0.0019120 k( 40) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0019120 k( 41) = ( 0.3174603 -0.0000000 0.0000000), wk = 0.0019120 k( 42) = ( 0.3253968 -0.0000000 0.0000000), wk = 0.0019120 k( 43) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0019120 k( 44) = ( 0.3412698 -0.0000000 0.0000000), wk = 0.0019120 k( 45) = ( 0.3492063 0.0000000 0.0000000), wk = 0.0019120 k( 46) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0019120 k( 47) = ( 0.3650794 0.0000000 0.0000000), wk = 0.0019120 k( 48) = ( 0.3730159 -0.0000000 0.0000000), wk = 0.0019120 k( 49) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0019120 k( 50) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0019120 k( 51) = ( 0.3968254 0.0000000 0.0000000), wk = 0.0019120 k( 52) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0019120 k( 53) = ( 0.4126984 0.0000000 0.0000000), wk = 0.0019120 k( 54) = ( 0.4206349 0.0000000 0.0000000), wk = 0.0019120 k( 55) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0019120 k( 56) = ( 0.4365079 -0.0000000 0.0000000), wk = 0.0019120 k( 57) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0019120 k( 58) = ( 0.4523810 -0.0000000 0.0000000), wk = 0.0019120 k( 59) = ( 0.4603175 0.0000000 0.0000000), wk = 0.0019120 k( 60) = ( 0.4682540 -0.0000000 0.0000000), wk = 0.0019120 k( 61) = ( 0.4761905 -0.0000000 0.0000000), wk = 0.0019120 k( 62) = ( 0.4841270 -0.0000000 0.0000000), wk = 0.0019120 k( 63) = ( 0.4920635 0.0000000 0.0000000), wk = 0.0019120 k( 64) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019120 k( 65) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019120 k( 66) = ( 0.4954955 0.0090090 0.0000000), wk = 0.0019120 k( 67) = ( 0.4909910 0.0180180 0.0000000), wk = 0.0019120 k( 68) = ( 0.4864865 0.0270270 0.0000000), wk = 0.0019120 k( 69) = ( 0.4819820 0.0360360 0.0000000), wk = 0.0019120 k( 70) = ( 0.4774775 0.0450450 0.0000000), wk = 0.0019120 k( 71) = ( 0.4729730 0.0540540 0.0000000), wk = 0.0019120 k( 72) = ( 0.4684685 0.0630631 -0.0000000), wk = 0.0019120 k( 73) = ( 0.4639640 0.0720721 0.0000000), wk = 0.0019120 k( 74) = ( 0.4594595 0.0810811 0.0000000), wk = 0.0019120 k( 75) = ( 0.4549550 0.0900901 0.0000000), wk = 0.0019120 k( 76) = ( 0.4504505 0.0990991 0.0000000), wk = 0.0019120 k( 77) = ( 0.4459459 0.1081081 0.0000000), wk = 0.0019120 k( 78) = ( 0.4414414 0.1171171 -0.0000000), wk = 0.0019120 k( 79) = ( 0.4369369 0.1261261 0.0000000), wk = 0.0019120 k( 80) = ( 0.4324324 0.1351351 -0.0000000), wk = 0.0019120 k( 81) = ( 0.4279279 0.1441441 0.0000000), wk = 0.0019120 k( 82) = ( 0.4234234 0.1531531 0.0000000), wk = 0.0019120 k( 83) = ( 0.4189189 0.1621622 0.0000000), wk = 0.0019120 k( 84) = ( 0.4144144 0.1711712 0.0000000), wk = 0.0019120 k( 85) = ( 0.4099099 0.1801802 -0.0000000), wk = 0.0019120 k( 86) = ( 0.4054054 0.1891892 0.0000000), wk = 0.0019120 k( 87) = ( 0.4009009 0.1981982 0.0000000), wk = 0.0019120 k( 88) = ( 0.3963964 0.2072072 0.0000000), wk = 0.0019120 k( 89) = ( 0.3918919 0.2162162 0.0000000), wk = 0.0019120 k( 90) = ( 0.3873874 0.2252252 0.0000000), wk = 0.0019120 k( 91) = ( 0.3828829 0.2342342 0.0000000), wk = 0.0019120 k( 92) = ( 0.3783784 0.2432432 0.0000000), wk = 0.0019120 k( 93) = ( 0.3738739 0.2522523 0.0000000), wk = 0.0019120 k( 94) = ( 0.3693694 0.2612613 0.0000000), wk = 0.0019120 k( 95) = ( 0.3648649 0.2702703 0.0000000), wk = 0.0019120 k( 96) = ( 0.3603604 0.2792793 0.0000000), wk = 0.0019120 k( 97) = ( 0.3558559 0.2882883 0.0000000), wk = 0.0019120 k( 98) = ( 0.3513514 0.2972973 0.0000000), wk = 0.0019120 k( 99) = ( 0.3468468 0.3063063 -0.0000000), wk = 0.0019120 k( 100) = ( 0.3423423 0.3153153 0.0000000), wk = 0.0019120 k( 101) = ( 0.3378378 0.3243243 0.0000000), wk = 0.0019120 k( 102) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019120 k( 103) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019120 k( 104) = ( 0.3287671 0.3287671 0.0000000), wk = 0.0019120 k( 105) = ( 0.3242009 0.3242009 0.0000000), wk = 0.0019120 k( 106) = ( 0.3196347 0.3196347 0.0000000), wk = 0.0019120 k( 107) = ( 0.3150685 0.3150685 0.0000000), wk = 0.0019120 k( 108) = ( 0.3105023 0.3105023 -0.0000000), wk = 0.0019120 k( 109) = ( 0.3059361 0.3059361 0.0000000), wk = 0.0019120 k( 110) = ( 0.3013699 0.3013699 0.0000000), wk = 0.0019120 k( 111) = ( 0.2968036 0.2968036 0.0000000), wk = 0.0019120 k( 112) = ( 0.2922374 0.2922374 0.0000000), wk = 0.0019120 k( 113) = ( 0.2876712 0.2876712 -0.0000000), wk = 0.0019120 k( 114) = ( 0.2831050 0.2831050 0.0000000), wk = 0.0019120 k( 115) = ( 0.2785388 0.2785388 0.0000000), wk = 0.0019120 k( 116) = ( 0.2739726 0.2739726 -0.0000000), wk = 0.0019120 k( 117) = ( 0.2694064 0.2694064 0.0000000), wk = 0.0019120 k( 118) = ( 0.2648402 0.2648402 -0.0000000), wk = 0.0019120 k( 119) = ( 0.2602740 0.2602740 0.0000000), wk = 0.0019120 k( 120) = ( 0.2557078 0.2557078 0.0000000), wk = 0.0019120 k( 121) = ( 0.2511415 0.2511416 0.0000000), wk = 0.0019120 k( 122) = ( 0.2465753 0.2465753 0.0000000), wk = 0.0019120 k( 123) = ( 0.2420091 0.2420091 0.0000000), wk = 0.0019120 k( 124) = ( 0.2374429 0.2374429 0.0000000), wk = 0.0019120 k( 125) = ( 0.2328767 0.2328767 -0.0000000), wk = 0.0019120 k( 126) = ( 0.2283105 0.2283105 0.0000000), wk = 0.0019120 k( 127) = ( 0.2237443 0.2237443 0.0000000), wk = 0.0019120 k( 128) = ( 0.2191781 0.2191781 0.0000000), wk = 0.0019120 k( 129) = ( 0.2146119 0.2146119 0.0000000), wk = 0.0019120 k( 130) = ( 0.2100457 0.2100457 -0.0000000), wk = 0.0019120 k( 131) = ( 0.2054795 0.2054795 0.0000000), wk = 0.0019120 k( 132) = ( 0.2009132 0.2009132 0.0000000), wk = 0.0019120 k( 133) = ( 0.1963470 0.1963470 0.0000000), wk = 0.0019120 k( 134) = ( 0.1917808 0.1917808 0.0000000), wk = 0.0019120 k( 135) = ( 0.1872146 0.1872146 0.0000000), wk = 0.0019120 k( 136) = ( 0.1826484 0.1826484 0.0000000), wk = 0.0019120 k( 137) = ( 0.1780822 0.1780822 0.0000000), wk = 0.0019120 k( 138) = ( 0.1735160 0.1735160 0.0000000), wk = 0.0019120 k( 139) = ( 0.1689498 0.1689498 0.0000000), wk = 0.0019120 k( 140) = ( 0.1643836 0.1643836 0.0000000), wk = 0.0019120 k( 141) = ( 0.1598173 0.1598173 0.0000000), wk = 0.0019120 k( 142) = ( 0.1552511 0.1552511 -0.0000000), wk = 0.0019120 k( 143) = ( 0.1506849 0.1506849 0.0000000), wk = 0.0019120 k( 144) = ( 0.1461187 0.1461187 0.0000000), wk = 0.0019120 k( 145) = ( 0.1415525 0.1415525 0.0000000), wk = 0.0019120 k( 146) = ( 0.1369863 0.1369863 -0.0000000), wk = 0.0019120 k( 147) = ( 0.1324201 0.1324201 -0.0000000), wk = 0.0019120 k( 148) = ( 0.1278539 0.1278539 0.0000000), wk = 0.0019120 k( 149) = ( 0.1232877 0.1232877 0.0000000), wk = 0.0019120 k( 150) = ( 0.1187215 0.1187215 0.0000000), wk = 0.0019120 k( 151) = ( 0.1141552 0.1141552 0.0000000), wk = 0.0019120 k( 152) = ( 0.1095890 0.1095890 0.0000000), wk = 0.0019120 k( 153) = ( 0.1050228 0.1050228 -0.0000000), wk = 0.0019120 k( 154) = ( 0.1004566 0.1004566 0.0000000), wk = 0.0019120 k( 155) = ( 0.0958904 0.0958904 0.0000000), wk = 0.0019120 k( 156) = ( 0.0913242 0.0913242 0.0000000), wk = 0.0019120 k( 157) = ( 0.0867580 0.0867580 0.0000000), wk = 0.0019120 k( 158) = ( 0.0821918 0.0821918 0.0000000), wk = 0.0019120 k( 159) = ( 0.0776256 0.0776256 -0.0000000), wk = 0.0019120 k( 160) = ( 0.0730594 0.0730594 0.0000000), wk = 0.0019120 k( 161) = ( 0.0684932 0.0684931 -0.0000000), wk = 0.0019120 k( 162) = ( 0.0639269 0.0639269 0.0000000), wk = 0.0019120 k( 163) = ( 0.0593607 0.0593607 0.0000000), wk = 0.0019120 k( 164) = ( 0.0547945 0.0547945 0.0000000), wk = 0.0019120 k( 165) = ( 0.0502283 0.0502283 0.0000000), wk = 0.0019120 k( 166) = ( 0.0456621 0.0456621 0.0000000), wk = 0.0019120 k( 167) = ( 0.0410959 0.0410959 0.0000000), wk = 0.0019120 k( 168) = ( 0.0365297 0.0365297 0.0000000), wk = 0.0019120 k( 169) = ( 0.0319635 0.0319635 0.0000000), wk = 0.0019120 k( 170) = ( 0.0273973 0.0273973 0.0000000), wk = 0.0019120 k( 171) = ( 0.0228310 0.0228310 0.0000000), wk = 0.0019120 k( 172) = ( 0.0182648 0.0182648 0.0000000), wk = 0.0019120 k( 173) = ( 0.0136986 0.0136986 0.0000000), wk = 0.0019120 k( 174) = ( 0.0091324 0.0091324 0.0000000), wk = 0.0019120 k( 175) = ( 0.0045662 0.0045662 0.0000000), wk = 0.0019120 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019120 k( 178) = ( 0.0000000 0.0000000 0.0089286), wk = 0.0019120 k( 179) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0019120 k( 180) = ( 0.0000000 0.0000000 0.0267857), wk = 0.0019120 k( 181) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0019120 k( 182) = ( 0.0000000 0.0000000 0.0446429), wk = 0.0019120 k( 183) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0019120 k( 184) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0019120 k( 185) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0019120 k( 186) = ( 0.0000000 0.0000000 0.0803571), wk = 0.0019120 k( 187) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0019120 k( 188) = ( 0.0000000 0.0000000 0.0982143), wk = 0.0019120 k( 189) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0019120 k( 190) = ( 0.0000000 0.0000000 0.1160714), wk = 0.0019120 k( 191) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0019120 k( 192) = ( 0.0000000 0.0000000 0.1339286), wk = 0.0019120 k( 193) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0019120 k( 194) = ( 0.0000000 0.0000000 0.1517857), wk = 0.0019120 k( 195) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0019120 k( 196) = ( 0.0000000 0.0000000 0.1696429), wk = 0.0019120 k( 197) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0019120 k( 198) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0019120 k( 199) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0019120 k( 200) = ( 0.0000000 0.0000000 0.2053571), wk = 0.0019120 k( 201) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0019120 k( 202) = ( 0.0000000 0.0000000 0.2232143), wk = 0.0019120 k( 203) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0019120 k( 204) = ( 0.0000000 0.0000000 0.2410714), wk = 0.0019120 k( 205) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0019120 k( 206) = ( 0.0000000 0.0000000 0.2589286), wk = 0.0019120 k( 207) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0019120 k( 208) = ( 0.0000000 0.0000000 0.2767857), wk = 0.0019120 k( 209) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0019120 k( 210) = ( 0.0000000 0.0000000 0.2946429), wk = 0.0019120 k( 211) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0019120 k( 212) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0019120 k( 213) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0019120 k( 214) = ( 0.0000000 0.0000000 0.3303571), wk = 0.0019120 k( 215) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0019120 k( 216) = ( 0.0000000 0.0000000 0.3482143), wk = 0.0019120 k( 217) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0019120 k( 218) = ( 0.0000000 0.0000000 0.3660714), wk = 0.0019120 k( 219) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0019120 k( 220) = ( 0.0000000 0.0000000 0.3839286), wk = 0.0019120 k( 221) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0019120 k( 222) = ( 0.0000000 0.0000000 0.4017857), wk = 0.0019120 k( 223) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0019120 k( 224) = ( 0.0000000 0.0000000 0.4196429), wk = 0.0019120 k( 225) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0019120 k( 226) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0019120 k( 227) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0019120 k( 228) = ( 0.0000000 0.0000000 0.4553571), wk = 0.0019120 k( 229) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0019120 k( 230) = ( 0.0000000 0.0000000 0.4732143), wk = 0.0019120 k( 231) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0019120 k( 232) = ( 0.0000000 0.0000000 0.4910714), wk = 0.0019120 k( 233) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019120 k( 234) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019120 k( 235) = ( 0.0079365 0.0000000 0.5000000), wk = 0.0019120 k( 236) = ( 0.0158730 0.0000000 0.5000000), wk = 0.0019120 k( 237) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0019120 k( 238) = ( 0.0317460 0.0000000 0.5000000), wk = 0.0019120 k( 239) = ( 0.0396825 -0.0000000 0.5000000), wk = 0.0019120 k( 240) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0019120 k( 241) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0019120 k( 242) = ( 0.0634921 0.0000000 0.5000000), wk = 0.0019120 k( 243) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0019120 k( 244) = ( 0.0793651 -0.0000000 0.5000000), wk = 0.0019120 k( 245) = ( 0.0873016 -0.0000000 0.5000000), wk = 0.0019120 k( 246) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0019120 k( 247) = ( 0.1031746 0.0000000 0.5000000), wk = 0.0019120 k( 248) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0019120 k( 249) = ( 0.1190476 -0.0000000 0.5000000), wk = 0.0019120 k( 250) = ( 0.1269841 0.0000000 0.5000000), wk = 0.0019120 k( 251) = ( 0.1349206 0.0000000 0.5000000), wk = 0.0019120 k( 252) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0019120 k( 253) = ( 0.1507937 0.0000000 0.5000000), wk = 0.0019120 k( 254) = ( 0.1587302 -0.0000000 0.5000000), wk = 0.0019120 k( 255) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0019120 k( 256) = ( 0.1746032 -0.0000000 0.5000000), wk = 0.0019120 k( 257) = ( 0.1825397 -0.0000000 0.5000000), wk = 0.0019120 k( 258) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0019120 k( 259) = ( 0.1984127 0.0000000 0.5000000), wk = 0.0019120 k( 260) = ( 0.2063492 0.0000000 0.5000000), wk = 0.0019120 k( 261) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0019120 k( 262) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0019120 k( 263) = ( 0.2301587 0.0000000 0.5000000), wk = 0.0019120 k( 264) = ( 0.2380952 -0.0000000 0.5000000), wk = 0.0019120 k( 265) = ( 0.2460317 0.0000000 0.5000000), wk = 0.0019120 k( 266) = ( 0.2539683 0.0000000 0.5000000), wk = 0.0019120 k( 267) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0019120 k( 268) = ( 0.2698413 0.0000000 0.5000000), wk = 0.0019120 k( 269) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0019120 k( 270) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0019120 k( 271) = ( 0.2936508 0.0000000 0.5000000), wk = 0.0019120 k( 272) = ( 0.3015873 0.0000000 0.5000000), wk = 0.0019120 k( 273) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0019120 k( 274) = ( 0.3174603 -0.0000000 0.5000000), wk = 0.0019120 k( 275) = ( 0.3253968 -0.0000000 0.5000000), wk = 0.0019120 k( 276) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0019120 k( 277) = ( 0.3412698 -0.0000000 0.5000000), wk = 0.0019120 k( 278) = ( 0.3492063 0.0000000 0.5000000), wk = 0.0019120 k( 279) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0019120 k( 280) = ( 0.3650794 0.0000000 0.5000000), wk = 0.0019120 k( 281) = ( 0.3730159 -0.0000000 0.5000000), wk = 0.0019120 k( 282) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0019120 k( 283) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0019120 k( 284) = ( 0.3968254 0.0000000 0.5000000), wk = 0.0019120 k( 285) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0019120 k( 286) = ( 0.4126984 0.0000000 0.5000000), wk = 0.0019120 k( 287) = ( 0.4206349 0.0000000 0.5000000), wk = 0.0019120 k( 288) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0019120 k( 289) = ( 0.4365079 -0.0000000 0.5000000), wk = 0.0019120 k( 290) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0019120 k( 291) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0019120 k( 292) = ( 0.4603175 0.0000000 0.5000000), wk = 0.0019120 k( 293) = ( 0.4682540 -0.0000000 0.5000000), wk = 0.0019120 k( 294) = ( 0.4761905 -0.0000000 0.5000000), wk = 0.0019120 k( 295) = ( 0.4841270 -0.0000000 0.5000000), wk = 0.0019120 k( 296) = ( 0.4920635 0.0000000 0.5000000), wk = 0.0019120 k( 297) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019120 k( 298) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019120 k( 299) = ( 0.4954955 0.0090090 0.5000000), wk = 0.0019120 k( 300) = ( 0.4909910 0.0180180 0.5000000), wk = 0.0019120 k( 301) = ( 0.4864865 0.0270270 0.5000000), wk = 0.0019120 k( 302) = ( 0.4819820 0.0360360 0.5000000), wk = 0.0019120 k( 303) = ( 0.4774775 0.0450450 0.5000000), wk = 0.0019120 k( 304) = ( 0.4729730 0.0540540 0.5000000), wk = 0.0019120 k( 305) = ( 0.4684685 0.0630631 0.5000000), wk = 0.0019120 k( 306) = ( 0.4639640 0.0720721 0.5000000), wk = 0.0019120 k( 307) = ( 0.4594595 0.0810811 0.5000000), wk = 0.0019120 k( 308) = ( 0.4549550 0.0900901 0.5000000), wk = 0.0019120 k( 309) = ( 0.4504505 0.0990991 0.5000000), wk = 0.0019120 k( 310) = ( 0.4459459 0.1081081 0.5000000), wk = 0.0019120 k( 311) = ( 0.4414414 0.1171171 0.5000000), wk = 0.0019120 k( 312) = ( 0.4369369 0.1261261 0.5000000), wk = 0.0019120 k( 313) = ( 0.4324324 0.1351351 0.5000000), wk = 0.0019120 k( 314) = ( 0.4279279 0.1441441 0.5000000), wk = 0.0019120 k( 315) = ( 0.4234234 0.1531531 0.5000000), wk = 0.0019120 k( 316) = ( 0.4189189 0.1621622 0.5000000), wk = 0.0019120 k( 317) = ( 0.4144144 0.1711712 0.5000000), wk = 0.0019120 k( 318) = ( 0.4099099 0.1801802 0.5000000), wk = 0.0019120 k( 319) = ( 0.4054054 0.1891892 0.5000000), wk = 0.0019120 k( 320) = ( 0.4009009 0.1981982 0.5000000), wk = 0.0019120 k( 321) = ( 0.3963964 0.2072072 0.5000000), wk = 0.0019120 k( 322) = ( 0.3918919 0.2162162 0.5000000), wk = 0.0019120 k( 323) = ( 0.3873874 0.2252252 0.5000000), wk = 0.0019120 k( 324) = ( 0.3828829 0.2342342 0.5000000), wk = 0.0019120 k( 325) = ( 0.3783784 0.2432432 0.5000000), wk = 0.0019120 k( 326) = ( 0.3738739 0.2522523 0.5000000), wk = 0.0019120 k( 327) = ( 0.3693694 0.2612613 0.5000000), wk = 0.0019120 k( 328) = ( 0.3648649 0.2702703 0.5000000), wk = 0.0019120 k( 329) = ( 0.3603604 0.2792793 0.5000000), wk = 0.0019120 k( 330) = ( 0.3558559 0.2882883 0.5000000), wk = 0.0019120 k( 331) = ( 0.3513514 0.2972973 0.5000000), wk = 0.0019120 k( 332) = ( 0.3468468 0.3063063 0.5000000), wk = 0.0019120 k( 333) = ( 0.3423423 0.3153153 0.5000000), wk = 0.0019120 k( 334) = ( 0.3378378 0.3243243 0.5000000), wk = 0.0019120 k( 335) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019120 k( 336) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019120 k( 337) = ( 0.3287671 0.3287671 0.5000000), wk = 0.0019120 k( 338) = ( 0.3242009 0.3242009 0.5000000), wk = 0.0019120 k( 339) = ( 0.3196347 0.3196347 0.5000000), wk = 0.0019120 k( 340) = ( 0.3150685 0.3150685 0.5000000), wk = 0.0019120 k( 341) = ( 0.3105023 0.3105023 0.5000000), wk = 0.0019120 k( 342) = ( 0.3059361 0.3059361 0.5000000), wk = 0.0019120 k( 343) = ( 0.3013699 0.3013699 0.5000000), wk = 0.0019120 k( 344) = ( 0.2968036 0.2968036 0.5000000), wk = 0.0019120 k( 345) = ( 0.2922374 0.2922374 0.5000000), wk = 0.0019120 k( 346) = ( 0.2876712 0.2876712 0.5000000), wk = 0.0019120 k( 347) = ( 0.2831050 0.2831050 0.5000000), wk = 0.0019120 k( 348) = ( 0.2785388 0.2785388 0.5000000), wk = 0.0019120 k( 349) = ( 0.2739726 0.2739726 0.5000000), wk = 0.0019120 k( 350) = ( 0.2694064 0.2694064 0.5000000), wk = 0.0019120 k( 351) = ( 0.2648402 0.2648402 0.5000000), wk = 0.0019120 k( 352) = ( 0.2602740 0.2602740 0.5000000), wk = 0.0019120 k( 353) = ( 0.2557078 0.2557078 0.5000000), wk = 0.0019120 k( 354) = ( 0.2511415 0.2511416 0.5000000), wk = 0.0019120 k( 355) = ( 0.2465753 0.2465753 0.5000000), wk = 0.0019120 k( 356) = ( 0.2420091 0.2420091 0.5000000), wk = 0.0019120 k( 357) = ( 0.2374429 0.2374429 0.5000000), wk = 0.0019120 k( 358) = ( 0.2328767 0.2328767 0.5000000), wk = 0.0019120 k( 359) = ( 0.2283105 0.2283105 0.5000000), wk = 0.0019120 k( 360) = ( 0.2237443 0.2237443 0.5000000), wk = 0.0019120 k( 361) = ( 0.2191781 0.2191781 0.5000000), wk = 0.0019120 k( 362) = ( 0.2146119 0.2146119 0.5000000), wk = 0.0019120 k( 363) = ( 0.2100457 0.2100457 0.5000000), wk = 0.0019120 k( 364) = ( 0.2054795 0.2054795 0.5000000), wk = 0.0019120 k( 365) = ( 0.2009132 0.2009132 0.5000000), wk = 0.0019120 k( 366) = ( 0.1963470 0.1963470 0.5000000), wk = 0.0019120 k( 367) = ( 0.1917808 0.1917808 0.5000000), wk = 0.0019120 k( 368) = ( 0.1872146 0.1872146 0.5000000), wk = 0.0019120 k( 369) = ( 0.1826484 0.1826484 0.5000000), wk = 0.0019120 k( 370) = ( 0.1780822 0.1780822 0.5000000), wk = 0.0019120 k( 371) = ( 0.1735160 0.1735160 0.5000000), wk = 0.0019120 k( 372) = ( 0.1689498 0.1689498 0.5000000), wk = 0.0019120 k( 373) = ( 0.1643836 0.1643836 0.5000000), wk = 0.0019120 k( 374) = ( 0.1598173 0.1598173 0.5000000), wk = 0.0019120 k( 375) = ( 0.1552511 0.1552511 0.5000000), wk = 0.0019120 k( 376) = ( 0.1506849 0.1506849 0.5000000), wk = 0.0019120 k( 377) = ( 0.1461187 0.1461187 0.5000000), wk = 0.0019120 k( 378) = ( 0.1415525 0.1415525 0.5000000), wk = 0.0019120 k( 379) = ( 0.1369863 0.1369863 0.5000000), wk = 0.0019120 k( 380) = ( 0.1324201 0.1324201 0.5000000), wk = 0.0019120 k( 381) = ( 0.1278539 0.1278539 0.5000000), wk = 0.0019120 k( 382) = ( 0.1232877 0.1232877 0.5000000), wk = 0.0019120 k( 383) = ( 0.1187215 0.1187215 0.5000000), wk = 0.0019120 k( 384) = ( 0.1141552 0.1141552 0.5000000), wk = 0.0019120 k( 385) = ( 0.1095890 0.1095890 0.5000000), wk = 0.0019120 k( 386) = ( 0.1050228 0.1050228 0.5000000), wk = 0.0019120 k( 387) = ( 0.1004566 0.1004566 0.5000000), wk = 0.0019120 k( 388) = ( 0.0958904 0.0958904 0.5000000), wk = 0.0019120 k( 389) = ( 0.0913242 0.0913242 0.5000000), wk = 0.0019120 k( 390) = ( 0.0867580 0.0867580 0.5000000), wk = 0.0019120 k( 391) = ( 0.0821918 0.0821918 0.5000000), wk = 0.0019120 k( 392) = ( 0.0776256 0.0776256 0.5000000), wk = 0.0019120 k( 393) = ( 0.0730594 0.0730594 0.5000000), wk = 0.0019120 k( 394) = ( 0.0684932 0.0684931 0.5000000), wk = 0.0019120 k( 395) = ( 0.0639269 0.0639269 0.5000000), wk = 0.0019120 k( 396) = ( 0.0593607 0.0593607 0.5000000), wk = 0.0019120 k( 397) = ( 0.0547945 0.0547945 0.5000000), wk = 0.0019120 k( 398) = ( 0.0502283 0.0502283 0.5000000), wk = 0.0019120 k( 399) = ( 0.0456621 0.0456621 0.5000000), wk = 0.0019120 k( 400) = ( 0.0410959 0.0410959 0.5000000), wk = 0.0019120 k( 401) = ( 0.0365297 0.0365297 0.5000000), wk = 0.0019120 k( 402) = ( 0.0319635 0.0319635 0.5000000), wk = 0.0019120 k( 403) = ( 0.0273973 0.0273973 0.5000000), wk = 0.0019120 k( 404) = ( 0.0228310 0.0228310 0.5000000), wk = 0.0019120 k( 405) = ( 0.0182648 0.0182648 0.5000000), wk = 0.0019120 k( 406) = ( 0.0136986 0.0136986 0.5000000), wk = 0.0019120 k( 407) = ( 0.0091324 0.0091324 0.5000000), wk = 0.0019120 k( 408) = ( 0.0045662 0.0045662 0.5000000), wk = 0.0019120 k( 409) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019120 k( 410) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019120 k( 411) = ( 0.5000000 0.0000000 0.4910714), wk = 0.0019120 k( 412) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0019120 k( 413) = ( 0.5000000 0.0000000 0.4732143), wk = 0.0019120 k( 414) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0019120 k( 415) = ( 0.5000000 0.0000000 0.4553571), wk = 0.0019120 k( 416) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0019120 k( 417) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0019120 k( 418) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0019120 k( 419) = ( 0.5000000 0.0000000 0.4196429), wk = 0.0019120 k( 420) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0019120 k( 421) = ( 0.5000000 0.0000000 0.4017857), wk = 0.0019120 k( 422) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0019120 k( 423) = ( 0.5000000 0.0000000 0.3839286), wk = 0.0019120 k( 424) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0019120 k( 425) = ( 0.5000000 0.0000000 0.3660714), wk = 0.0019120 k( 426) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0019120 k( 427) = ( 0.5000000 0.0000000 0.3482143), wk = 0.0019120 k( 428) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0019120 k( 429) = ( 0.5000000 0.0000000 0.3303571), wk = 0.0019120 k( 430) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0019120 k( 431) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0019120 k( 432) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0019120 k( 433) = ( 0.5000000 0.0000000 0.2946429), wk = 0.0019120 k( 434) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0019120 k( 435) = ( 0.5000000 0.0000000 0.2767857), wk = 0.0019120 k( 436) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0019120 k( 437) = ( 0.5000000 0.0000000 0.2589286), wk = 0.0019120 k( 438) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0019120 k( 439) = ( 0.5000000 0.0000000 0.2410714), wk = 0.0019120 k( 440) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0019120 k( 441) = ( 0.5000000 0.0000000 0.2232143), wk = 0.0019120 k( 442) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0019120 k( 443) = ( 0.5000000 0.0000000 0.2053571), wk = 0.0019120 k( 444) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0019120 k( 445) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0019120 k( 446) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0019120 k( 447) = ( 0.5000000 0.0000000 0.1696429), wk = 0.0019120 k( 448) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0019120 k( 449) = ( 0.5000000 0.0000000 0.1517857), wk = 0.0019120 k( 450) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0019120 k( 451) = ( 0.5000000 0.0000000 0.1339286), wk = 0.0019120 k( 452) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0019120 k( 453) = ( 0.5000000 0.0000000 0.1160714), wk = 0.0019120 k( 454) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0019120 k( 455) = ( 0.5000000 0.0000000 0.0982143), wk = 0.0019120 k( 456) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0019120 k( 457) = ( 0.5000000 0.0000000 0.0803571), wk = 0.0019120 k( 458) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0019120 k( 459) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0019120 k( 460) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0019120 k( 461) = ( 0.5000000 0.0000000 0.0446429), wk = 0.0019120 k( 462) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0019120 k( 463) = ( 0.5000000 0.0000000 0.0267857), wk = 0.0019120 k( 464) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0019120 k( 465) = ( 0.5000000 0.0000000 0.0089286), wk = 0.0019120 k( 466) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0019120 k( 467) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019120 k( 468) = ( 0.3333333 0.3333333 0.0089286), wk = 0.0019120 k( 469) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0019120 k( 470) = ( 0.3333333 0.3333333 0.0267857), wk = 0.0019120 k( 471) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0019120 k( 472) = ( 0.3333333 0.3333333 0.0446429), wk = 0.0019120 k( 473) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0019120 k( 474) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0019120 k( 475) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0019120 k( 476) = ( 0.3333333 0.3333333 0.0803571), wk = 0.0019120 k( 477) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0019120 k( 478) = ( 0.3333333 0.3333333 0.0982143), wk = 0.0019120 k( 479) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0019120 k( 480) = ( 0.3333333 0.3333333 0.1160714), wk = 0.0019120 k( 481) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0019120 k( 482) = ( 0.3333333 0.3333333 0.1339286), wk = 0.0019120 k( 483) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0019120 k( 484) = ( 0.3333333 0.3333333 0.1517857), wk = 0.0019120 k( 485) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0019120 k( 486) = ( 0.3333333 0.3333333 0.1696429), wk = 0.0019120 k( 487) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0019120 k( 488) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0019120 k( 489) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0019120 k( 490) = ( 0.3333333 0.3333333 0.2053571), wk = 0.0019120 k( 491) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0019120 k( 492) = ( 0.3333333 0.3333333 0.2232143), wk = 0.0019120 k( 493) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0019120 k( 494) = ( 0.3333333 0.3333333 0.2410714), wk = 0.0019120 k( 495) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0019120 k( 496) = ( 0.3333333 0.3333333 0.2589286), wk = 0.0019120 k( 497) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0019120 k( 498) = ( 0.3333333 0.3333333 0.2767857), wk = 0.0019120 k( 499) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0019120 k( 500) = ( 0.3333333 0.3333333 0.2946429), wk = 0.0019120 k( 501) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0019120 k( 502) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0019120 k( 503) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0019120 k( 504) = ( 0.3333333 0.3333333 0.3303571), wk = 0.0019120 k( 505) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0019120 k( 506) = ( 0.3333333 0.3333333 0.3482143), wk = 0.0019120 k( 507) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0019120 k( 508) = ( 0.3333333 0.3333333 0.3660714), wk = 0.0019120 k( 509) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0019120 k( 510) = ( 0.3333333 0.3333333 0.3839286), wk = 0.0019120 k( 511) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0019120 k( 512) = ( 0.3333333 0.3333333 0.4017857), wk = 0.0019120 k( 513) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0019120 k( 514) = ( 0.3333333 0.3333333 0.4196429), wk = 0.0019120 k( 515) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0019120 k( 516) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0019120 k( 517) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0019120 k( 518) = ( 0.3333333 0.3333333 0.4553571), wk = 0.0019120 k( 519) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0019120 k( 520) = ( 0.3333333 0.3333333 0.4732143), wk = 0.0019120 k( 521) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0019120 k( 522) = ( 0.3333333 0.3333333 0.4910714), wk = 0.0019120 k( 523) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019120 Dense grid: 13759 G-vectors FFT dimensions: ( 32, 32, 32) Smooth grid: 6587 G-vectors FFT dimensions: ( 25, 25, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 38, 26) NL pseudopotentials 0.01 Mb ( 19, 48) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 288) G-vector shells 0.00 Mb ( 144) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 38, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./MoC.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.5 secs Computing kpt #: 2 total cpu time spent up to now is 40.7 secs Computing kpt #: 3 total cpu time spent up to now is 40.9 secs Computing kpt #: 4 total cpu time spent up to now is 41.1 secs Computing kpt #: 5 total cpu time spent up to now is 41.2 secs Computing kpt #: 6 total cpu time spent up to now is 41.4 secs Computing kpt #: 7 total cpu time spent up to now is 41.6 secs Computing kpt #: 8 total cpu time spent up to now is 41.8 secs Computing kpt #: 9 total cpu time spent up to now is 42.0 secs Computing kpt #: 10 total cpu time spent up to now is 42.2 secs Computing kpt #: 11 total cpu time spent up to now is 42.4 secs Computing kpt #: 12 total cpu time spent up to now is 42.6 secs Computing kpt #: 13 total cpu time spent up to now is 42.8 secs Computing kpt #: 14 total cpu time spent up to now is 43.0 secs Computing kpt #: 15 total cpu time spent up to now is 43.2 secs Computing kpt #: 16 total cpu time spent up to now is 43.3 secs Computing kpt #: 17 total cpu time spent up to now is 43.5 secs Computing kpt #: 18 total cpu time spent up to now is 43.7 secs Computing kpt #: 19 total cpu time spent up to now is 43.9 secs Computing kpt #: 20 total cpu time spent up to now is 44.1 secs Computing kpt #: 21 total cpu time spent up to now is 44.2 secs Computing kpt #: 22 total cpu time spent up to now is 44.4 secs Computing kpt #: 23 total cpu time spent up to now is 44.6 secs Computing kpt #: 24 total cpu time spent up to now is 44.8 secs Computing kpt #: 25 total cpu time spent up to now is 45.0 secs Computing kpt #: 26 total cpu time spent up to now is 45.1 secs Computing kpt #: 27 total cpu time spent up to now is 45.3 secs Computing kpt #: 28 total cpu time spent up to now is 45.5 secs Computing kpt #: 29 total cpu time spent up to now is 45.7 secs Computing kpt #: 30 total cpu time spent up to now is 45.8 secs Computing kpt #: 31 total cpu time spent up to now is 46.0 secs Computing kpt #: 32 total cpu time spent up to now is 46.2 secs Computing kpt #: 33 total cpu time spent up to now is 46.4 secs Computing kpt #: 34 total cpu time spent up to now is 46.6 secs Computing kpt #: 35 total cpu time spent up to now is 46.7 secs Computing kpt #: 36 total cpu time spent up to now is 46.9 secs Computing kpt #: 37 total cpu time spent up to now is 47.1 secs Computing kpt #: 38 total cpu time spent up to now is 47.3 secs Computing kpt #: 39 total cpu time spent up to now is 47.4 secs Computing kpt #: 40 total cpu time spent up to now is 47.7 secs Computing kpt #: 41 total cpu time spent up to now is 47.9 secs Computing kpt #: 42 total cpu time spent up to now is 48.0 secs Computing kpt #: 43 total cpu time spent up to now is 48.2 secs Computing kpt #: 44 total cpu time spent up to now is 48.4 secs Computing kpt #: 45 total cpu time spent up to now is 48.6 secs Computing kpt #: 46 total cpu time spent up to now is 48.8 secs Computing kpt #: 47 total cpu time spent up to now is 48.9 secs Computing kpt #: 48 total cpu time spent up to now is 49.1 secs Computing kpt #: 49 total cpu time spent up to now is 49.3 secs Computing kpt #: 50 total cpu time spent up to now is 49.5 secs Computing kpt #: 51 total cpu time spent up to now is 49.7 secs Computing kpt #: 52 total cpu time spent up to now is 49.9 secs Computing kpt #: 53 total cpu time spent up to now is 50.0 secs Computing kpt #: 54 total cpu time spent up to now is 50.2 secs Computing kpt #: 55 total cpu time spent up to now is 50.4 secs Computing kpt #: 56 total cpu time spent up to now is 50.9 secs Computing kpt #: 57 total cpu time spent up to now is 51.1 secs Computing kpt #: 58 total cpu time spent up to now is 51.3 secs Computing kpt #: 59 total cpu time spent up to now is 51.4 secs Computing kpt #: 60 total cpu time spent up to now is 51.6 secs Computing kpt #: 61 total cpu time spent up to now is 51.8 secs Computing kpt #: 62 total cpu time spent up to now is 52.0 secs Computing kpt #: 63 total cpu time spent up to now is 52.2 secs Computing kpt #: 64 total cpu time spent up to now is 52.4 secs Computing kpt #: 65 total cpu time spent up to now is 52.6 secs Computing kpt #: 66 total cpu time spent up to now is 52.7 secs Computing kpt #: 67 total cpu time spent up to now is 52.9 secs Computing kpt #: 68 total cpu time spent up to now is 53.2 secs Computing kpt #: 69 total cpu time spent up to now is 53.4 secs Computing kpt #: 70 total cpu time spent up to now is 53.6 secs Computing kpt #: 71 total cpu time spent up to now is 53.9 secs Computing kpt #: 72 total cpu time spent up to now is 54.2 secs Computing kpt #: 73 total cpu time spent up to now is 54.4 secs Computing kpt #: 74 total cpu time spent up to now is 54.6 secs Computing kpt #: 75 total cpu time spent up to now is 54.8 secs Computing kpt #: 76 total cpu time spent up to now is 55.0 secs Computing kpt #: 77 total cpu time spent up to now is 55.2 secs Computing kpt #: 78 total cpu time spent up to now is 55.4 secs Computing kpt #: 79 total cpu time spent up to now is 55.6 secs Computing kpt #: 80 total cpu time spent up to now is 55.8 secs Computing kpt #: 81 total cpu time spent up to now is 55.9 secs Computing kpt #: 82 total cpu time spent up to now is 56.2 secs Computing kpt #: 83 total cpu time spent up to now is 56.6 secs Computing kpt #: 84 total cpu time spent up to now is 56.8 secs Computing kpt #: 85 total cpu time spent up to now is 57.0 secs Computing kpt #: 86 total cpu time spent up to now is 57.2 secs Computing kpt #: 87 total cpu time spent up to now is 57.4 secs Computing kpt #: 88 total cpu time spent up to now is 57.7 secs Computing kpt #: 89 total cpu time spent up to now is 57.9 secs Computing kpt #: 90 total cpu time spent up to now is 58.1 secs Computing kpt #: 91 total cpu time spent up to now is 58.3 secs Computing kpt #: 92 total cpu time spent up to now is 58.5 secs Computing kpt #: 93 total cpu time spent up to now is 58.6 secs Computing kpt #: 94 total cpu time spent up to now is 58.8 secs Computing kpt #: 95 total cpu time spent up to now is 59.0 secs Computing kpt #: 96 total cpu 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secs Computing kpt #: 112 total cpu time spent up to now is 61.8 secs Computing kpt #: 113 total cpu time spent up to now is 61.9 secs Computing kpt #: 114 total cpu time spent up to now is 62.1 secs Computing kpt #: 115 total cpu time spent up to now is 62.3 secs Computing kpt #: 116 total cpu time spent up to now is 62.5 secs Computing kpt #: 117 total cpu time spent up to now is 62.6 secs Computing kpt #: 118 total cpu time spent up to now is 62.8 secs Computing kpt #: 119 total cpu time spent up to now is 63.0 secs Computing kpt #: 120 total cpu time spent up to now is 63.2 secs Computing kpt #: 121 total cpu time spent up to now is 63.3 secs Computing kpt #: 122 total cpu time spent up to now is 63.5 secs Computing kpt #: 123 total cpu time spent up to now is 63.7 secs Computing kpt #: 124 total cpu time spent up to now is 64.0 secs Computing kpt #: 125 total cpu time spent up to now is 64.2 secs Computing kpt #: 126 total cpu time spent up to now is 64.7 secs Computing kpt #: 127 total cpu time spent up to now is 64.9 secs Computing kpt #: 128 total cpu time spent up to now is 65.2 secs Computing kpt #: 129 total cpu time spent up to now is 65.5 secs Computing kpt #: 130 total cpu time spent up to now is 65.8 secs Computing kpt #: 131 total cpu time spent up to now is 66.3 secs Computing kpt #: 132 total cpu time spent up to now is 66.6 secs Computing kpt #: 133 total cpu time spent up to now is 67.0 secs Computing kpt #: 134 total cpu time spent up to now is 67.4 secs Computing kpt #: 135 total cpu time spent up to now is 67.6 secs Computing kpt #: 136 total cpu time spent up to now is 68.2 secs Computing kpt #: 137 total cpu time spent up to now is 68.4 secs Computing kpt #: 138 total cpu time spent up to now is 68.6 secs Computing kpt #: 139 total cpu time spent up to now is 68.9 secs Computing kpt #: 140 total cpu time spent up to now is 69.1 secs Computing kpt #: 141 total cpu time spent up to now is 69.4 secs Computing kpt #: 142 total cpu time spent up to now is 69.7 secs Computing kpt #: 143 total cpu time spent up to now is 70.0 secs Computing kpt #: 144 total cpu time spent up to now is 70.2 secs Computing kpt #: 145 total cpu time spent up to now is 70.5 secs Computing kpt #: 146 total cpu time spent up to now is 70.8 secs Computing kpt #: 147 total cpu time spent up to now is 71.2 secs Computing kpt #: 148 total cpu time spent up to now is 71.4 secs Computing kpt #: 149 total cpu time spent up to now is 71.5 secs Computing kpt #: 150 total cpu time spent up to now is 71.7 secs Computing kpt #: 151 total cpu time spent up to now is 71.9 secs Computing kpt #: 152 total cpu time spent up to now is 72.1 secs Computing kpt #: 153 total cpu time spent up to now is 72.3 secs Computing kpt #: 154 total cpu time spent up to now is 72.5 secs Computing kpt #: 155 total cpu time spent up to now is 72.6 secs Computing kpt #: 156 total cpu time spent up to now is 72.8 secs Computing kpt #: 157 total cpu time spent up to now is 73.0 secs Computing kpt #: 158 total cpu time spent up to now is 73.2 secs Computing kpt #: 159 total cpu time spent up to now is 73.4 secs Computing kpt #: 160 total cpu time spent up to now is 73.6 secs Computing kpt #: 161 total cpu time spent up to now is 73.8 secs Computing kpt #: 162 total cpu time spent up to now is 74.0 secs Computing kpt #: 163 total cpu time spent up to now is 74.1 secs Computing kpt #: 164 total cpu time spent up to now is 74.3 secs Computing kpt #: 165 total cpu time spent up to now is 74.5 secs Computing kpt #: 166 total cpu time spent up to now is 74.8 secs Computing kpt #: 167 total cpu time spent up to now is 75.1 secs Computing kpt #: 168 total cpu time spent up to now is 75.3 secs Computing kpt #: 169 total cpu time spent up to now is 75.6 secs Computing kpt #: 170 total cpu time spent up to now is 75.8 secs Computing kpt #: 171 total cpu time spent up to now is 76.1 secs Computing kpt #: 172 total cpu time spent up to now is 76.5 secs Computing kpt #: 173 total cpu time spent up to now is 76.7 secs Computing kpt #: 174 total cpu time spent up to now is 76.9 secs Computing kpt #: 175 total cpu time spent up to now is 77.1 secs Computing kpt #: 176 total cpu time spent up to now is 77.4 secs Computing kpt #: 177 total cpu time spent up to now is 77.7 secs Computing kpt #: 178 total cpu time spent up to now is 77.9 secs Computing kpt #: 179 total cpu time spent up to now is 78.2 secs Computing kpt #: 180 total cpu time spent up to now is 78.6 secs Computing kpt #: 181 total cpu time spent up to now is 78.8 secs Computing kpt #: 182 total cpu time spent up to now is 79.1 secs Computing kpt #: 183 total cpu time spent up to now is 79.3 secs Computing kpt #: 184 total cpu time spent up to now is 79.5 secs Computing kpt #: 185 total cpu time spent up to now is 79.8 secs Computing kpt #: 186 total cpu time spent up to now is 80.0 secs Computing kpt #: 187 total cpu time spent up to now is 80.3 secs Computing kpt #: 188 total cpu time spent up to now is 80.5 secs Computing kpt #: 189 total cpu time spent up to now is 80.7 secs Computing kpt #: 190 total cpu time spent up to now is 80.9 secs Computing kpt #: 191 total cpu time spent up to now is 81.1 secs Computing kpt #: 192 total cpu time spent up to now is 81.3 secs Computing kpt #: 193 total cpu time spent up to now is 81.5 secs Computing kpt #: 194 total cpu time spent up to now is 81.6 secs Computing kpt #: 195 total cpu time spent up to now is 81.8 secs Computing kpt #: 196 total cpu time spent up to now is 82.0 secs Computing kpt #: 197 total cpu time spent up to now is 82.2 secs Computing kpt #: 198 total cpu time spent up to now is 82.4 secs Computing kpt #: 199 total cpu time spent up to now is 82.6 secs Computing kpt #: 200 total cpu time spent up to now is 82.7 secs Computing kpt #: 201 total cpu time spent up to now is 82.9 secs Computing kpt #: 202 total cpu time spent up to now is 83.1 secs Computing kpt #: 203 total cpu time spent up to now is 83.3 secs Computing kpt #: 204 total cpu time spent up to now is 83.5 secs Computing kpt #: 205 total cpu time spent up to now is 83.7 secs Computing kpt #: 206 total cpu time spent up to now is 84.0 secs Computing kpt #: 207 total cpu time spent up to now is 84.1 secs Computing kpt #: 208 total cpu time spent up to now is 84.4 secs Computing kpt #: 209 total cpu time spent up to now is 84.6 secs Computing kpt #: 210 total cpu time spent up to now is 84.8 secs Computing kpt #: 211 total cpu time spent up to now is 85.1 secs Computing kpt #: 212 total cpu time spent up to now is 85.5 secs Computing kpt #: 213 total cpu time spent up to now is 86.1 secs Computing kpt #: 214 total cpu time spent up to now is 86.4 secs Computing kpt #: 215 total cpu time spent up to now is 86.8 secs Computing kpt #: 216 total cpu time spent up to now is 87.1 secs Computing kpt #: 217 total cpu time spent up to now is 87.5 secs Computing kpt #: 218 total cpu time spent up to now is 87.7 secs Computing kpt #: 219 total cpu time spent up to now is 88.1 secs Computing kpt #: 220 total cpu time spent up to now is 88.4 secs Computing kpt #: 221 total cpu time spent up to now is 88.6 secs Computing kpt #: 222 total cpu time spent up to now is 88.9 secs Computing kpt #: 223 total cpu time spent up to now is 89.2 secs Computing kpt #: 224 total cpu time spent up to now is 89.5 secs Computing kpt #: 225 total cpu time spent up to now is 89.7 secs Computing kpt #: 226 total cpu time spent up to now is 89.9 secs Computing kpt #: 227 total cpu time spent up to now is 90.0 secs Computing kpt #: 228 total cpu time spent up to now is 90.2 secs Computing kpt #: 229 total cpu time spent up to now is 90.4 secs Computing kpt #: 230 total cpu time spent up to now is 90.7 secs Computing kpt #: 231 total cpu time spent up to now is 90.9 secs Computing kpt #: 232 total cpu time spent up to now is 91.1 secs Computing kpt #: 233 total cpu time spent up to now is 91.3 secs Computing kpt #: 234 total cpu time spent up to now is 91.4 secs Computing kpt #: 235 total cpu time spent up to now is 91.6 secs Computing kpt #: 236 total cpu time spent up to now is 91.8 secs Computing kpt #: 237 total cpu time spent up to now is 91.9 secs Computing kpt #: 238 total cpu time spent up to now is 92.1 secs Computing kpt #: 239 total cpu time spent up to now is 92.3 secs Computing kpt #: 240 total cpu time spent up to now is 92.6 secs Computing kpt #: 241 total cpu time spent up to now is 93.1 secs Computing kpt #: 242 total cpu time spent up to now is 93.5 secs Computing kpt #: 243 total cpu time spent up to now is 93.8 secs Computing kpt #: 244 total cpu time spent up to now is 94.0 secs Computing kpt #: 245 total cpu time spent up to now is 94.3 secs Computing kpt #: 246 total cpu time spent up to now is 94.6 secs Computing kpt #: 247 total cpu time spent up to now is 94.9 secs Computing kpt #: 248 total cpu time spent up to now is 95.5 secs Computing kpt #: 249 total cpu time spent up to now is 95.7 secs Computing kpt #: 250 total cpu time spent up to now is 96.3 secs Computing kpt #: 251 total cpu time spent up to now is 96.6 secs Computing kpt #: 252 total cpu time spent up to now is 96.7 secs Computing kpt #: 253 total cpu time spent up to now is 97.3 secs Computing kpt #: 254 total cpu time spent up to now is 97.5 secs Computing kpt #: 255 total cpu time spent up to now is 97.7 secs Computing kpt #: 256 total cpu time spent up to now is 97.8 secs Computing kpt #: 257 total cpu time spent up to now is 98.0 secs Computing kpt #: 258 total cpu time spent up to now is 98.2 secs Computing kpt #: 259 total cpu time spent up to now is 98.4 secs Computing kpt #: 260 total cpu time spent up to now is 98.5 secs Computing kpt #: 261 total cpu time spent up to now is 98.7 secs Computing kpt #: 262 total cpu time spent up to now is 98.9 secs Computing kpt #: 263 total cpu time spent up to now is 99.1 secs Computing kpt #: 264 total cpu time spent up to now is 99.2 secs Computing kpt #: 265 total cpu time spent up to now is 99.4 secs Computing kpt #: 266 total cpu time spent up to now is 100.1 secs Computing kpt #: 267 total cpu time spent up to now is 100.4 secs Computing kpt #: 268 total cpu time spent up to now is 100.8 secs Computing kpt #: 269 total cpu time spent up to now is 101.0 secs Computing kpt #: 270 total cpu time spent up to now is 101.3 secs Computing kpt #: 271 total cpu time spent up to now is 101.5 secs Computing kpt #: 272 total cpu time spent up to now is 101.7 secs Computing kpt #: 273 total cpu time spent up to now is 102.0 secs Computing kpt #: 274 total cpu time spent up to now is 102.4 secs Computing kpt #: 275 total cpu time spent up to now is 102.6 secs Computing kpt #: 276 total cpu time spent up to now is 102.8 secs Computing kpt #: 277 total cpu time spent up to now is 103.0 secs Computing kpt #: 278 total cpu time spent up to now is 103.2 secs Computing kpt #: 279 total cpu time spent up to now is 103.5 secs Computing kpt #: 280 total cpu time spent up to now is 103.8 secs Computing kpt #: 281 total cpu time spent up to now is 104.4 secs Computing kpt #: 282 total cpu time spent up to now is 104.9 secs Computing kpt #: 283 total cpu time spent up to now is 105.1 secs Computing kpt #: 284 total cpu time spent up to now is 105.3 secs Computing kpt #: 285 total cpu time spent up to now is 105.5 secs Computing kpt #: 286 total cpu time spent up to now is 105.6 secs Computing kpt #: 287 total cpu time spent up to now is 105.8 secs Computing kpt #: 288 total cpu time spent up to now is 106.0 secs Computing kpt #: 289 total cpu time spent up to now is 106.2 secs Computing kpt #: 290 total cpu time spent up to now is 106.4 secs Computing kpt #: 291 total cpu time spent up to now is 106.6 secs Computing kpt #: 292 total cpu time spent up to now is 106.8 secs Computing kpt #: 293 total cpu time spent up to now is 107.0 secs Computing kpt #: 294 total cpu time spent up to now is 107.2 secs Computing kpt #: 295 total cpu time spent up to now is 107.4 secs Computing kpt #: 296 total cpu time spent up to now is 107.6 secs Computing kpt #: 297 total cpu time spent up to now is 108.0 secs Computing kpt #: 298 total cpu time spent up to now is 108.2 secs Computing kpt #: 299 total cpu time spent up to now is 108.4 secs Computing kpt #: 300 total cpu time spent up to now is 108.6 secs Computing kpt #: 301 total cpu time spent up to now is 108.8 secs Computing kpt #: 302 total cpu time spent up to now is 109.0 secs Computing kpt #: 303 total cpu time spent up to now is 109.2 secs Computing kpt #: 304 total cpu time spent up to now is 109.4 secs Computing kpt #: 305 total cpu time spent up to now is 109.7 secs Computing kpt #: 306 total cpu time spent up to now is 110.0 secs Computing kpt #: 307 total cpu time spent up to now is 110.2 secs Computing kpt #: 308 total cpu time spent up to now is 110.4 secs Computing kpt #: 309 total cpu time spent up to now is 110.7 secs Computing kpt #: 310 total cpu time spent up to now is 110.9 secs Computing kpt #: 311 total cpu time spent up to now is 111.3 secs Computing kpt #: 312 total cpu time spent up to now is 111.9 secs Computing kpt #: 313 total cpu time spent up to now is 112.4 secs Computing kpt #: 314 total cpu time spent up to now is 112.7 secs Computing kpt #: 315 total cpu time spent up to now is 112.9 secs Computing kpt #: 316 total cpu time spent up to now is 113.7 secs Computing kpt #: 317 total cpu time spent up to now is 114.2 secs Computing kpt #: 318 total cpu time spent up to now is 114.6 secs Computing kpt #: 319 total cpu time spent up to now is 115.1 secs Computing kpt #: 320 total cpu time spent up to now is 115.7 secs Computing kpt #: 321 total cpu time spent up to now is 116.2 secs Computing kpt #: 322 total cpu time spent up to now is 116.6 secs Computing kpt #: 323 total cpu time spent up to now is 116.8 secs Computing kpt #: 324 total cpu time spent up to now is 117.0 secs Computing kpt #: 325 total cpu time spent up to now is 117.3 secs Computing kpt #: 326 total cpu time spent up to now is 117.5 secs Computing kpt #: 327 total cpu time spent up to now is 117.7 secs Computing kpt #: 328 total cpu time spent up to now is 117.9 secs Computing kpt #: 329 total cpu time spent up to now is 118.2 secs Computing kpt #: 330 total cpu time spent up to now is 118.4 secs Computing kpt #: 331 total cpu time spent up to now is 118.6 secs Computing kpt #: 332 total cpu time spent up to now is 118.8 secs Computing kpt #: 333 total cpu time spent up to now is 119.0 secs Computing kpt #: 334 total cpu time spent up to now is 119.3 secs Computing kpt #: 335 total cpu time spent up to now is 119.5 secs Computing kpt #: 336 total cpu time spent up to now is 119.7 secs Computing kpt #: 337 total cpu time spent up to now is 120.1 secs Computing kpt #: 338 total cpu time spent up to now is 120.4 secs Computing kpt #: 339 total cpu time spent up to now is 120.7 secs Computing kpt #: 340 total cpu time spent up to now is 120.9 secs Computing kpt #: 341 total cpu time spent up to now is 121.2 secs Computing kpt #: 342 total cpu time spent up to now is 121.5 secs Computing kpt #: 343 total cpu time spent up to now is 121.8 secs Computing kpt #: 344 total cpu time spent up to now is 122.1 secs Computing kpt #: 345 total cpu time spent up to now is 122.4 secs Computing kpt #: 346 total cpu time spent up to now is 122.7 secs Computing kpt #: 347 total cpu time spent up to now is 123.1 secs Computing kpt #: 348 total cpu time spent up to now is 123.3 secs Computing kpt #: 349 total cpu time spent up to now is 123.5 secs Computing kpt #: 350 total cpu time spent up to now is 123.7 secs Computing kpt #: 351 total cpu time spent up to now is 123.9 secs Computing kpt #: 352 total cpu time spent up to now is 124.2 secs Computing kpt #: 353 total cpu time spent up to now is 124.4 secs Computing kpt #: 354 total cpu time spent up to now is 124.6 secs Computing kpt #: 355 total cpu time spent up to now is 124.8 secs Computing kpt #: 356 total cpu time spent up to now is 125.0 secs Computing kpt #: 357 total cpu time spent up to now is 125.2 secs Computing kpt #: 358 total cpu time spent up to now is 125.4 secs Computing kpt #: 359 total cpu time spent up to now is 125.6 secs Computing kpt #: 360 total cpu time spent up to now is 125.8 secs Computing kpt #: 361 total cpu time spent up to now is 126.0 secs Computing kpt #: 362 total cpu time spent up to now is 126.2 secs Computing kpt #: 363 total cpu time spent up to now is 126.4 secs Computing kpt #: 364 total cpu time spent up to now is 126.6 secs Computing kpt #: 365 total cpu time spent up to now is 126.8 secs Computing kpt #: 366 total cpu time spent up to now is 127.0 secs Computing kpt #: 367 total cpu time spent up to now is 127.2 secs Computing kpt #: 368 total cpu time spent up to now is 127.4 secs Computing kpt #: 369 total cpu time spent up to now is 127.7 secs Computing kpt #: 370 total cpu time spent up to now is 128.2 secs Computing kpt #: 371 total cpu time spent up to now is 128.6 secs Computing kpt #: 372 total cpu time spent up to now is 128.8 secs Computing kpt #: 373 total cpu time spent up to now is 129.5 secs Computing kpt #: 374 total cpu time spent up to now is 129.8 secs Computing kpt #: 375 total cpu time spent up to now is 130.1 secs Computing kpt #: 376 total cpu time spent up to now is 130.4 secs Computing kpt #: 377 total cpu time spent up to now is 130.6 secs Computing kpt #: 378 total cpu time spent up to now is 130.8 secs Computing kpt #: 379 total cpu time spent up to now is 131.0 secs Computing kpt #: 380 total cpu time spent up to now is 131.3 secs Computing kpt #: 381 total cpu time spent up to now is 131.5 secs Computing kpt #: 382 total cpu time spent up to now is 131.7 secs Computing kpt #: 383 total cpu time spent up to now is 132.0 secs Computing kpt #: 384 total cpu time spent up to now is 132.3 secs Computing kpt #: 385 total cpu time spent up to now is 132.5 secs Computing kpt #: 386 total cpu time spent up to now is 132.7 secs Computing kpt #: 387 total cpu time spent up to now is 133.4 secs Computing kpt #: 388 total cpu time spent up to now is 133.7 secs Computing kpt #: 389 total cpu time spent up to now is 134.1 secs Computing kpt #: 390 total cpu time spent up to now is 134.3 secs Computing kpt #: 391 total cpu time spent up to now is 134.6 secs Computing kpt #: 392 total cpu time spent up to now is 134.9 secs Computing kpt #: 393 total cpu time spent up to now is 135.1 secs Computing kpt #: 394 total cpu time spent up to now is 135.4 secs Computing kpt #: 395 total cpu time spent up to now is 135.6 secs Computing kpt #: 396 total cpu time spent up to now is 135.7 secs Computing kpt #: 397 total cpu time spent up to now is 135.9 secs Computing kpt #: 398 total cpu time spent up to now is 136.1 secs Computing kpt #: 399 total cpu time spent up to now is 136.2 secs Computing kpt #: 400 total cpu time spent up to now is 136.4 secs Computing kpt #: 401 total cpu time spent up to now is 136.6 secs Computing kpt #: 402 total cpu time spent up to now is 136.8 secs Computing kpt #: 403 total cpu time spent up to now is 136.9 secs Computing kpt #: 404 total cpu time spent up to now is 137.1 secs Computing kpt #: 405 total cpu time spent up to now is 137.3 secs Computing kpt #: 406 total cpu time spent up to now is 137.5 secs Computing kpt #: 407 total cpu time spent up to now is 137.6 secs Computing kpt #: 408 total cpu time spent up to now is 137.8 secs Computing kpt #: 409 total cpu time spent up to now is 138.0 secs Computing kpt #: 410 total cpu time spent up to now is 138.2 secs Computing kpt #: 411 total cpu time spent up to now is 138.4 secs Computing kpt #: 412 total cpu time spent up to now is 138.6 secs Computing kpt #: 413 total cpu time spent up to now is 138.8 secs Computing kpt #: 414 total cpu time spent up to now is 139.0 secs Computing kpt #: 415 total cpu time spent up to now is 139.2 secs Computing kpt #: 416 total cpu time spent up to now is 139.4 secs Computing kpt #: 417 total cpu time spent up to now is 140.0 secs Computing kpt #: 418 total cpu time spent up to now is 140.4 secs Computing kpt #: 419 total cpu time spent up to now is 140.7 secs Computing kpt #: 420 total cpu time spent up to now is 140.9 secs Computing kpt #: 421 total cpu time spent up to now is 141.2 secs Computing kpt #: 422 total cpu time spent up to now is 141.6 secs Computing kpt #: 423 total cpu time spent up to now is 142.2 secs Computing kpt #: 424 total cpu time spent up to now is 142.5 secs Computing kpt #: 425 total cpu time spent up to now is 142.7 secs Computing kpt #: 426 total cpu time spent up to now is 143.3 secs Computing kpt #: 427 total cpu time spent up to now is 143.6 secs Computing kpt #: 428 total cpu time spent up to now is 144.0 secs Computing kpt #: 429 total cpu time spent up to now is 144.7 secs Computing kpt #: 430 total cpu time spent up to now is 145.1 secs Computing kpt #: 431 total cpu time spent up to now is 145.8 secs Computing kpt #: 432 total cpu time spent up to now is 146.3 secs Computing kpt #: 433 total cpu time spent up to now is 147.0 secs Computing kpt #: 434 total cpu time spent up to now is 147.3 secs Computing kpt #: 435 total cpu time spent up to now is 147.8 secs Computing kpt #: 436 total cpu time spent up to now is 148.1 secs Computing kpt #: 437 total cpu time spent up to now is 148.3 secs Computing kpt #: 438 total cpu time spent up to now is 148.5 secs Computing kpt #: 439 total cpu time spent up to now is 148.7 secs Computing kpt #: 440 total cpu time spent up to now is 148.9 secs Computing kpt #: 441 total cpu time spent up to now is 149.0 secs Computing kpt #: 442 total cpu time spent up to now is 149.2 secs Computing kpt #: 443 total cpu time spent up to now is 149.4 secs Computing kpt #: 444 total cpu time spent up to now is 149.6 secs Computing kpt #: 445 total cpu time spent up to now is 149.8 secs Computing kpt #: 446 total cpu time spent up to now is 150.0 secs Computing kpt #: 447 total cpu time spent up to now is 150.1 secs Computing kpt #: 448 total cpu time spent up to now is 150.3 secs Computing kpt #: 449 total cpu time spent up to now is 150.5 secs Computing kpt #: 450 total cpu time spent up to now is 150.7 secs Computing kpt #: 451 total cpu time spent up to now is 150.8 secs Computing kpt #: 452 total cpu time spent up to now is 151.0 secs Computing kpt #: 453 total cpu time spent up to now is 151.2 secs Computing kpt #: 454 total cpu time spent up to now is 151.4 secs Computing kpt #: 455 total cpu time spent up to now is 151.5 secs Computing kpt #: 456 total cpu time spent up to now is 151.7 secs Computing kpt #: 457 total cpu time spent up to now is 151.9 secs Computing kpt #: 458 total cpu time spent up to now is 152.1 secs Computing kpt #: 459 total cpu time spent up to now is 152.2 secs Computing kpt #: 460 total cpu time spent up to now is 152.4 secs Computing kpt #: 461 total cpu time spent up to now is 152.6 secs Computing kpt #: 462 total cpu time spent up to now is 152.8 secs Computing kpt #: 463 total cpu time spent up to now is 153.0 secs Computing kpt #: 464 total cpu time spent up to now is 153.2 secs Computing kpt #: 465 total cpu time spent up to now is 153.4 secs Computing kpt #: 466 total cpu time spent up to now is 153.7 secs Computing kpt #: 467 total cpu time spent up to now is 153.9 secs Computing kpt #: 468 total cpu time spent up to now is 154.1 secs Computing kpt #: 469 total cpu time spent up to now is 154.3 secs Computing kpt #: 470 total cpu time spent up to now is 154.7 secs Computing kpt #: 471 total cpu time spent up to now is 155.1 secs Computing kpt #: 472 total cpu time spent up to now is 155.3 secs Computing kpt #: 473 total cpu time spent up to now is 155.6 secs Computing kpt #: 474 total cpu time spent up to now is 155.8 secs Computing kpt #: 475 total cpu time spent up to now is 156.0 secs Computing kpt #: 476 total cpu time spent up to now is 156.2 secs Computing kpt #: 477 total cpu time spent up to now is 156.4 secs Computing kpt #: 478 total cpu time spent up to now is 156.6 secs Computing kpt #: 479 total cpu time spent up to now is 156.9 secs Computing kpt #: 480 total cpu time spent up to now is 157.1 secs Computing kpt #: 481 total cpu time spent up to now is 157.4 secs Computing kpt #: 482 total cpu time spent up to now is 157.9 secs Computing kpt #: 483 total cpu time spent up to now is 158.4 secs Computing kpt #: 484 total cpu time spent up to now is 158.6 secs Computing kpt #: 485 total cpu time spent up to now is 158.8 secs Computing kpt #: 486 total cpu time spent up to now is 159.1 secs Computing kpt #: 487 total cpu time spent up to now is 159.3 secs Computing kpt #: 488 total cpu time spent up to now is 159.4 secs Computing kpt #: 489 total cpu time spent up to now is 159.6 secs Computing kpt #: 490 total cpu time spent up to now is 159.8 secs Computing kpt #: 491 total cpu time spent up to now is 159.9 secs Computing kpt #: 492 total cpu time spent up to now is 160.1 secs Computing kpt #: 493 total cpu time spent up to now is 160.3 secs Computing kpt #: 494 total cpu time spent up to now is 160.4 secs Computing kpt #: 495 total cpu time spent up to now is 160.6 secs Computing kpt #: 496 total cpu time spent up to now is 160.8 secs Computing kpt #: 497 total cpu time spent up to now is 160.9 secs Computing kpt #: 498 total cpu time spent up to now is 161.1 secs Computing kpt #: 499 total cpu time spent up to now is 161.3 secs Computing kpt #: 500 total cpu time spent up to now is 161.4 secs Computing kpt #: 501 total cpu time spent up to now is 161.6 secs Computing kpt #: 502 total cpu time spent up to now is 161.8 secs Computing kpt #: 503 total cpu time spent up to now is 161.9 secs Computing kpt #: 504 total cpu time spent up to now is 162.1 secs Computing kpt #: 505 total cpu time spent up to now is 162.3 secs Computing kpt #: 506 total cpu time spent up to now is 162.5 secs Computing kpt #: 507 total cpu time spent up to now is 162.7 secs Computing kpt #: 508 total cpu time spent up to now is 162.8 secs Computing kpt #: 509 total cpu time spent up to now is 163.0 secs Computing kpt #: 510 total cpu time spent up to now is 163.2 secs Computing kpt #: 511 total cpu time spent up to now is 163.4 secs Computing kpt #: 512 total cpu time spent up to now is 163.6 secs Computing kpt #: 513 total cpu time spent up to now is 163.8 secs Computing kpt #: 514 total cpu time spent up to now is 164.0 secs Computing kpt #: 515 total cpu time spent up to now is 164.2 secs Computing kpt #: 516 total cpu time spent up to now is 164.4 secs Computing kpt #: 517 total cpu time spent up to now is 164.5 secs Computing kpt #: 518 total cpu time spent up to now is 164.7 secs Computing kpt #: 519 total cpu time spent up to now is 164.9 secs Computing kpt #: 520 total cpu time spent up to now is 165.1 secs Computing kpt #: 521 total cpu time spent up to now is 165.3 secs Computing kpt #: 522 total cpu time spent up to now is 165.5 secs Computing kpt #: 523 total cpu time spent up to now is 165.7 secs ethr = 5.56E-11, avg # of iterations = 11.7 total cpu time spent up to now is 166.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 827 PWs) bands (ev): -41.3568 -41.3568 -16.7974 -16.7974 -14.2866 -14.2866 -14.2265 -14.2265 6.3885 6.3885 15.6589 15.6589 16.3958 16.3958 16.4879 16.4879 20.2078 20.2078 22.0285 22.0285 22.1469 22.1469 25.0968 25.0968 25.1423 25.1423 k = 0.0079 0.0046-0.0000 ( 827 PWs) bands (ev): -41.3567 -41.3567 -16.7976 -16.7976 -14.2867 -14.2867 -14.2269 -14.2269 6.3900 6.3900 15.6593 15.6593 16.3955 16.3955 16.4878 16.4878 20.1990 20.1990 22.0328 22.0328 22.1513 22.1513 25.0945 25.0945 25.1403 25.1403 k = 0.0159 0.0092-0.0000 ( 827 PWs) bands (ev): -41.3565 -41.3565 -16.7981 -16.7981 -14.2869 -14.2869 -14.2281 -14.2281 6.3944 6.3944 15.6605 15.6605 16.3945 16.3945 16.4877 16.4877 20.1734 20.1734 22.0433 22.0433 22.1668 22.1668 25.0874 25.0874 25.1342 25.1342 k = 0.0238 0.0137-0.0000 ( 827 PWs) bands (ev): -41.3562 -41.3562 -16.7990 -16.7990 -14.2874 -14.2874 -14.2300 -14.2300 6.4019 6.4019 15.6624 15.6624 16.3918 16.3918 16.4888 16.4888 20.1322 20.1322 22.0540 22.0540 22.1977 22.1977 25.0751 25.0751 25.1246 25.1246 k = 0.0317 0.0183-0.0000 ( 829 PWs) bands (ev): -41.3557 -41.3557 -16.8003 -16.8003 -14.2880 -14.2880 -14.2327 -14.2327 6.4123 6.4123 15.6647 15.6647 16.3861 16.3861 16.4925 16.4925 20.0776 20.0776 22.0605 22.0605 22.2464 22.2464 25.0572 25.0572 25.1122 25.1122 k = 0.0397 0.0229-0.0000 ( 831 PWs) bands (ev): -41.3551 -41.3551 -16.8019 -16.8019 -14.2889 -14.2889 -14.2360 -14.2360 6.4256 6.4256 15.6673 15.6673 16.3766 16.3766 16.5001 16.5001 20.0117 20.0117 22.0625 22.0625 22.3111 22.3111 25.0333 25.0333 25.0974 25.0974 k = 0.0476 0.0275-0.0000 ( 831 PWs) bands (ev): -41.3543 -41.3543 -16.8039 -16.8039 -14.2900 -14.2900 -14.2400 -14.2400 6.4418 6.4418 15.6696 15.6696 16.3635 16.3635 16.5119 16.5119 19.9367 19.9367 22.0612 22.0612 22.3883 22.3883 25.0034 25.0034 25.0804 25.0804 k = 0.0556 0.0321-0.0000 ( 825 PWs) bands (ev): -41.3531 -41.3531 -16.8061 -16.8061 -14.2915 -14.2915 -14.2443 -14.2443 6.4609 6.4609 15.6712 15.6712 16.3473 16.3473 16.5279 16.5279 19.8545 19.8545 22.0576 22.0576 22.4750 22.4750 24.9679 24.9679 25.0614 25.0614 k = 0.0635 0.0367-0.0000 ( 819 PWs) bands (ev): -41.3518 -41.3518 -16.8087 -16.8087 -14.2935 -14.2935 -14.2490 -14.2490 6.4829 6.4829 15.6714 15.6714 16.3294 16.3294 16.5478 16.5478 19.7667 19.7667 22.0524 22.0524 22.5692 22.5692 24.9269 24.9269 25.0404 25.0404 k = 0.0714 0.0412-0.0000 ( 819 PWs) bands (ev): -41.3506 -41.3506 -16.8117 -16.8117 -14.2962 -14.2962 -14.2539 -14.2539 6.5076 6.5076 15.6694 15.6694 16.3109 16.3109 16.5713 16.5713 19.6746 19.6746 22.0458 22.0458 22.6690 22.6690 24.8809 24.8809 25.0172 25.0172 k = 0.0794 0.0458-0.0000 ( 821 PWs) bands (ev): -41.3493 -41.3493 -16.8151 -16.8151 -14.2999 -14.2999 -14.2587 -14.2587 6.5352 6.5352 15.6642 15.6642 16.2932 16.2932 16.5981 16.5981 19.5794 19.5794 22.0380 22.0380 22.7731 22.7731 24.8303 24.8303 24.9919 24.9919 k = 0.0873 0.0504-0.0000 ( 821 PWs) bands (ev): -41.3478 -41.3478 -16.8188 -16.8188 -14.3046 -14.3046 -14.2632 -14.2632 6.5654 6.5654 15.6548 15.6548 16.2776 16.2776 16.6280 16.6280 19.4818 19.4818 22.0293 22.0293 22.8805 22.8805 24.7754 24.7754 24.9646 24.9646 k = 0.0952 0.0550-0.0000 ( 821 PWs) bands (ev): -41.3462 -41.3462 -16.8229 -16.8229 -14.3107 -14.3107 -14.2671 -14.2671 6.5983 6.5983 15.6402 15.6402 16.2655 16.2655 16.6609 16.6609 19.3826 19.3826 22.0196 22.0196 22.9904 22.9904 24.7166 24.7166 24.9354 24.9354 k = 0.1032 0.0596-0.0000 ( 817 PWs) bands (ev): -41.3443 -41.3443 -16.8272 -16.8272 -14.3181 -14.3181 -14.2703 -14.2703 6.6338 6.6338 15.6196 15.6196 16.2577 16.2577 16.6967 16.6967 19.2825 19.2825 22.0090 22.0090 23.1020 23.1020 24.6544 24.6544 24.9044 24.9044 k = 0.1111 0.0642-0.0000 ( 817 PWs) bands (ev): -41.3424 -41.3424 -16.8319 -16.8319 -14.3268 -14.3268 -14.2730 -14.2730 6.6719 6.6719 15.5926 15.5926 16.2551 16.2551 16.7353 16.7353 19.1817 19.1817 21.9977 21.9977 23.2149 23.2149 24.5890 24.5890 24.8716 24.8716 k = 0.1190 0.0687-0.0000 ( 817 PWs) bands (ev): -41.3404 -41.3404 -16.8369 -16.8369 -14.3366 -14.3366 -14.2752 -14.2752 6.7124 6.7124 15.5591 15.5591 16.2578 16.2578 16.7766 16.7766 19.0808 19.0808 21.9857 21.9857 23.3283 23.3283 24.5208 24.5208 24.8371 24.8371 k = 0.1270 0.0733-0.0000 ( 817 PWs) bands (ev): -41.3383 -41.3383 -16.8422 -16.8422 -14.3474 -14.3474 -14.2770 -14.2770 6.7553 6.7553 15.5195 15.5195 16.2658 16.2658 16.8206 16.8206 18.9800 18.9800 21.9729 21.9729 23.4421 23.4421 24.4504 24.4504 24.8012 24.8012 k = 0.1349 0.0779-0.0000 ( 817 PWs) bands (ev): -41.3361 -41.3361 -16.8478 -16.8478 -14.3589 -14.3589 -14.2786 -14.2786 6.8005 6.8005 15.4742 15.4742 16.2786 16.2786 16.8671 16.8671 18.8796 18.8796 21.9596 21.9596 23.5556 23.5556 24.3782 24.3782 24.7638 24.7638 k = 0.1429 0.0825-0.0000 ( 817 PWs) bands (ev): -41.3338 -41.3338 -16.8537 -16.8537 -14.3712 -14.3712 -14.2799 -14.2799 6.8480 6.8480 15.4240 15.4240 16.2955 16.2955 16.9161 16.9161 18.7799 18.7799 21.9456 21.9456 23.6686 23.6686 24.3045 24.3045 24.7252 24.7252 k = 0.1508 0.0871-0.0000 ( 817 PWs) bands (ev): -41.3314 -41.3314 -16.8600 -16.8600 -14.3841 -14.3841 -14.2811 -14.2811 6.8977 6.8977 15.3697 15.3697 16.3160 16.3160 16.9674 16.9674 18.6809 18.6809 21.9311 21.9311 23.7807 23.7807 24.2301 24.2301 24.6856 24.6856 k = 0.1587 0.0916-0.0000 ( 817 PWs) bands (ev): -41.3290 -41.3290 -16.8664 -16.8664 -14.3975 -14.3975 -14.2822 -14.2822 6.9494 6.9494 15.3120 15.3120 16.3394 16.3394 17.0211 17.0211 18.5830 18.5830 21.9162 21.9162 23.8910 23.8910 24.1557 24.1557 24.6449 24.6449 k = 0.1667 0.0962-0.0000 ( 819 PWs) bands (ev): -41.3265 -41.3265 -16.8732 -16.8732 -14.4114 -14.4114 -14.2833 -14.2833 7.0030 7.0030 15.2515 15.2515 16.3651 16.3651 17.0769 17.0769 18.4862 18.4862 21.9007 21.9007 23.9951 23.9951 24.0859 24.0859 24.6035 24.6035 k = 0.1746 0.1008-0.0000 ( 823 PWs) bands (ev): -41.3240 -41.3240 -16.8803 -16.8803 -14.4257 -14.4257 -14.2843 -14.2843 7.0586 7.0586 15.1888 15.1888 16.3926 16.3926 17.1348 17.1348 18.3907 18.3907 21.8849 21.8849 23.9958 23.9958 24.1181 24.1181 24.5616 24.5616 k = 0.1825 0.1054-0.0000 ( 823 PWs) bands (ev): -41.3213 -41.3213 -16.8875 -16.8875 -14.4403 -14.4403 -14.2852 -14.2852 7.1159 7.1159 15.1244 15.1244 16.4213 16.4213 17.1948 17.1948 18.2966 18.2966 21.8687 21.8687 23.9250 23.9250 24.2203 24.2203 24.5197 24.5197 k = 0.1905 0.1100-0.0000 ( 823 PWs) bands (ev): -41.3185 -41.3185 -16.8950 -16.8950 -14.4552 -14.4552 -14.2860 -14.2860 7.1750 7.1750 15.0587 15.0587 16.4507 16.4507 17.2566 17.2566 18.2040 18.2040 21.8522 21.8522 23.8526 23.8526 24.3209 24.3209 24.4798 24.4798 k = 0.1984 0.1146-0.0000 ( 827 PWs) bands (ev): -41.3158 -41.3158 -16.9027 -16.9027 -14.4703 -14.4703 -14.2868 -14.2868 7.2355 7.2355 14.9922 14.9922 16.4805 16.4805 17.3203 17.3203 18.1130 18.1130 21.8354 21.8354 23.7814 23.7814 24.3950 24.3950 24.4642 24.4642 k = 0.2063 0.1191-0.0000 ( 827 PWs) bands (ev): -41.3130 -41.3130 -16.9106 -16.9106 -14.4856 -14.4856 -14.2876 -14.2876 7.2976 7.2976 14.9252 14.9252 16.5102 16.5102 17.3856 17.3856 18.0237 18.0237 21.8184 21.8184 23.7122 23.7122 24.3755 24.3755 24.5399 24.5399 k = 0.2143 0.1237-0.0000 ( 827 PWs) bands (ev): -41.3100 -41.3100 -16.9186 -16.9186 -14.5010 -14.5010 -14.2883 -14.2883 7.3609 7.3609 14.8580 14.8580 16.5394 16.5394 17.4524 17.4524 17.9361 17.9361 21.8012 21.8012 23.6456 23.6456 24.3343 24.3343 24.6347 24.6347 k = 0.2222 0.1283-0.0000 ( 825 PWs) bands (ev): -41.3070 -41.3070 -16.9268 -16.9268 -14.5165 -14.5165 -14.2889 -14.2889 7.4255 7.4255 14.7908 14.7908 16.5677 16.5677 17.5205 17.5205 17.8505 17.8505 21.7839 21.7839 23.5821 23.5821 24.2907 24.2907 24.7292 24.7292 k = 0.2302 0.1329-0.0000 ( 825 PWs) bands (ev): -41.3040 -41.3040 -16.9352 -16.9352 -14.5320 -14.5320 -14.2896 -14.2896 7.4911 7.4911 14.7239 14.7239 16.5948 16.5948 17.5894 17.5894 17.7673 17.7673 21.7665 21.7665 23.5221 23.5221 24.2465 24.2465 24.8216 24.8216 k = 0.2381 0.1375-0.0000 ( 827 PWs) bands (ev): -41.3011 -41.3011 -16.9437 -16.9437 -14.5475 -14.5475 -14.2902 -14.2902 7.5577 7.5577 14.6576 14.6576 16.6204 16.6204 17.6524 17.6524 17.6931 17.6931 21.7491 21.7491 23.4661 23.4661 24.2022 24.2022 24.9114 24.9114 k = 0.2460 0.1420-0.0000 ( 827 PWs) bands (ev): -41.2981 -41.2981 -16.9523 -16.9523 -14.5630 -14.5630 -14.2907 -14.2907 7.6252 7.6252 14.5920 14.5920 16.6440 16.6440 17.6012 17.6012 17.7361 17.7361 21.7317 21.7317 23.4144 23.4144 24.1579 24.1579 24.9983 24.9983 k = 0.2540 0.1466-0.0000 ( 827 PWs) bands (ev): -41.2950 -41.2950 -16.9610 -16.9610 -14.5783 -14.5783 -14.2913 -14.2913 7.6933 7.6933 14.5273 14.5273 16.6654 16.6654 17.5244 17.5244 17.8077 17.8077 21.7143 21.7143 23.3675 23.3675 24.1138 24.1138 25.0823 25.0823 k = 0.2619 0.1512-0.0000 ( 827 PWs) bands (ev): -41.2920 -41.2920 -16.9697 -16.9697 -14.5935 -14.5935 -14.2918 -14.2918 7.7619 7.7619 14.4636 14.4636 16.6844 16.6844 17.4488 17.4488 17.8809 17.8809 21.6970 21.6970 23.3258 23.3258 24.0700 24.0700 25.1631 25.1631 k = 0.2698 0.1558-0.0000 ( 825 PWs) bands (ev): -41.2889 -41.2889 -16.9784 -16.9784 -14.6086 -14.6086 -14.2923 -14.2923 7.8310 7.8310 14.4013 14.4013 16.7006 16.7006 17.3751 17.3751 17.9548 17.9548 21.6799 21.6799 23.2894 23.2894 24.0267 24.0267 25.2407 25.2407 k = 0.2778 0.1604-0.0000 ( 825 PWs) bands (ev): -41.2859 -41.2859 -16.9872 -16.9872 -14.6234 -14.6234 -14.2927 -14.2927 7.9003 7.9003 14.3402 14.3402 16.7138 16.7138 17.3035 17.3035 18.0293 18.0293 21.6629 21.6629 23.2588 23.2588 23.9839 23.9839 25.3150 25.3150 k = 0.2857 0.1650-0.0000 ( 825 PWs) bands (ev): -41.2830 -41.2830 -16.9960 -16.9960 -14.6380 -14.6380 -14.2932 -14.2932 7.9697 7.9697 14.2807 14.2807 16.7239 16.7239 17.2342 17.2342 18.1039 18.1039 21.6461 21.6461 23.2341 23.2341 23.9417 23.9417 25.3860 25.3860 k = 0.2937 0.1695-0.0000 ( 821 PWs) bands (ev): -41.2799 -41.2799 -17.0047 -17.0047 -14.6523 -14.6523 -14.2935 -14.2935 8.0390 8.0390 14.2227 14.2227 16.7306 16.7306 17.1670 17.1670 18.1787 18.1787 21.6296 21.6296 23.2154 23.2154 23.9002 23.9002 25.4536 25.4536 k = 0.3016 0.1741-0.0000 ( 821 PWs) bands (ev): -41.2770 -41.2770 -17.0134 -17.0134 -14.6664 -14.6664 -14.2939 -14.2939 8.1080 8.1080 14.1665 14.1665 16.7340 16.7340 17.1022 17.1022 18.2533 18.2533 21.6133 21.6133 23.2029 23.2029 23.8595 23.8595 25.5179 25.5179 k = 0.3095 0.1787-0.0000 ( 821 PWs) bands (ev): -41.2741 -41.2741 -17.0220 -17.0220 -14.6801 -14.6801 -14.2942 -14.2942 8.1766 8.1766 14.1121 14.1121 16.7340 16.7340 17.0396 17.0396 18.3276 18.3276 21.5974 21.5974 23.1965 23.1965 23.8197 23.8197 25.5788 25.5788 k = 0.3175 0.1833-0.0000 ( 821 PWs) bands (ev): -41.2713 -41.2713 -17.0305 -17.0305 -14.6934 -14.6934 -14.2945 -14.2945 8.2447 8.2447 14.0596 14.0596 16.7306 16.7306 16.9795 16.9795 18.4014 18.4014 21.5818 21.5818 23.1962 23.1962 23.7808 23.7808 25.6364 25.6364 k = 0.3254 0.1879-0.0000 ( 821 PWs) bands (ev): -41.2686 -41.2686 -17.0389 -17.0389 -14.7064 -14.7064 -14.2947 -14.2947 8.3119 8.3119 14.0091 14.0091 16.7237 16.7237 16.9218 16.9218 18.4744 18.4744 21.5666 21.5666 23.2018 23.2018 23.7430 23.7430 25.6907 25.6907 k = 0.3333 0.1925-0.0000 ( 821 PWs) bands (ev): -41.2659 -41.2659 -17.0471 -17.0471 -14.7189 -14.7189 -14.2950 -14.2950 8.3782 8.3782 13.9606 13.9606 16.7136 16.7136 16.8666 16.8666 18.5465 18.5465 21.5519 21.5519 23.2131 23.2131 23.7065 23.7065 25.7417 25.7417 k = 0.3413 0.1970-0.0000 ( 820 PWs) bands (ev): -41.2633 -41.2633 -17.0552 -17.0552 -14.7310 -14.7310 -14.2952 -14.2952 8.4433 8.4433 13.9143 13.9143 16.7003 16.7003 16.8140 16.8140 18.6175 18.6175 21.5376 21.5376 23.2297 23.2297 23.6712 23.6712 25.7895 25.7895 k = 0.3492 0.2016-0.0000 ( 820 PWs) bands (ev): -41.2608 -41.2608 -17.0630 -17.0630 -14.7426 -14.7426 -14.2954 -14.2954 8.5070 8.5070 13.8701 13.8701 16.6839 16.6839 16.7642 16.7642 18.6871 18.6871 21.5238 21.5238 23.2511 23.2511 23.6376 23.6376 25.8341 25.8341 k = 0.3571 0.2062-0.0000 ( 820 PWs) bands (ev): -41.2583 -41.2583 -17.0706 -17.0706 -14.7538 -14.7538 -14.2956 -14.2956 8.5692 8.5692 13.8282 13.8282 16.6641 16.6641 16.7177 16.7177 18.7550 18.7550 21.5105 21.5105 23.2767 23.2767 23.6058 23.6058 25.8757 25.8757 k = 0.3651 0.2108-0.0000 ( 820 PWs) bands (ev): -41.2560 -41.2560 -17.0780 -17.0780 -14.7645 -14.7645 -14.2957 -14.2957 8.6297 8.6297 13.7885 13.7885 16.6400 16.6400 16.6758 16.6758 18.8211 18.8211 21.4978 21.4978 23.3054 23.3054 23.5765 23.5765 25.9143 25.9143 k = 0.3730 0.2154-0.0000 ( 816 PWs) bands (ev): -41.2536 -41.2536 -17.0850 -17.0850 -14.7745 -14.7745 -14.2958 -14.2958 8.6881 8.6881 13.7511 13.7511 16.6099 16.6099 16.6406 16.6406 18.8852 18.8852 21.4856 21.4856 23.3358 23.3358 23.5509 23.5509 25.9500 25.9500 k = 0.3810 0.2199-0.0000 ( 818 PWs) bands (ev): -41.2515 -41.2515 -17.0918 -17.0918 -14.7842 -14.7842 -14.2960 -14.2960 8.7444 8.7444 13.7160 13.7160 16.5750 16.5750 16.6114 16.6114 18.9469 18.9469 21.4741 21.4741 23.3646 23.3646 23.5313 23.5313 25.9829 25.9829 k = 0.3889 0.2245-0.0000 ( 820 PWs) bands (ev): -41.2496 -41.2496 -17.0983 -17.0983 -14.7932 -14.7932 -14.2961 -14.2961 8.7983 8.7983 13.6833 13.6833 16.5392 16.5392 16.5844 16.5844 19.0061 19.0061 21.4632 21.4632 23.3859 23.3859 23.5233 23.5233 26.0131 26.0131 k = 0.3968 0.2291-0.0000 ( 820 PWs) bands (ev): -41.2477 -41.2477 -17.1044 -17.1044 -14.8017 -14.8017 -14.2962 -14.2962 8.8496 8.8496 13.6529 13.6529 16.5048 16.5048 16.5580 16.5580 19.0625 19.0625 21.4529 21.4529 23.3924 23.3924 23.5336 23.5336 26.0407 26.0407 k = 0.4048 0.2337-0.0000 ( 820 PWs) bands (ev): -41.2459 -41.2459 -17.1101 -17.1101 -14.8096 -14.8096 -14.2963 -14.2963 8.8981 8.8981 13.6249 13.6249 16.4724 16.4724 16.5319 16.5319 19.1159 19.1159 21.4433 21.4433 23.3848 23.3848 23.5607 23.5607 26.0658 26.0658 k = 0.4127 0.2383-0.0000 ( 820 PWs) bands (ev): -41.2443 -41.2443 -17.1155 -17.1155 -14.8169 -14.8169 -14.2964 -14.2964 8.9436 8.9436 13.5992 13.5992 16.4423 16.4423 16.5062 16.5062 19.1661 19.1661 21.4344 21.4344 23.3703 23.3703 23.5968 23.5968 26.0885 26.0885 k = 0.4206 0.2429-0.0000 ( 820 PWs) bands (ev): -41.2427 -41.2427 -17.1205 -17.1205 -14.8236 -14.8236 -14.2964 -14.2964 8.9859 8.9859 13.5759 13.5759 16.4147 16.4147 16.4812 16.4812 19.2128 19.2128 21.4262 21.4262 23.3534 23.3534 23.6367 23.6367 26.1089 26.1089 k = 0.4286 0.2474-0.0000 ( 820 PWs) bands (ev): -41.2413 -41.2413 -17.1250 -17.1250 -14.8297 -14.8297 -14.2965 -14.2965 9.0248 9.0248 13.5549 13.5549 16.3897 16.3897 16.4573 16.4573 19.2558 19.2558 21.4187 21.4187 23.3364 23.3364 23.6773 23.6773 26.1270 26.1270 k = 0.4365 0.2520-0.0000 ( 824 PWs) bands (ev): -41.2402 -41.2402 -17.1292 -17.1292 -14.8352 -14.8352 -14.2965 -14.2965 9.0601 9.0601 13.5362 13.5362 16.3671 16.3671 16.4348 16.4348 19.2949 19.2949 21.4120 21.4120 23.3203 23.3203 23.7171 23.7171 26.1430 26.1430 k = 0.4444 0.2566-0.0000 ( 824 PWs) bands (ev): -41.2391 -41.2391 -17.1328 -17.1328 -14.8401 -14.8401 -14.2966 -14.2966 9.0917 9.0917 13.5197 13.5197 16.3472 16.3472 16.4140 16.4140 19.3299 19.3299 21.4060 21.4060 23.3054 23.3054 23.7548 23.7548 26.1569 26.1569 k = 0.4524 0.2612-0.0000 ( 824 PWs) bands (ev): -41.2381 -41.2381 -17.1360 -17.1360 -14.8443 -14.8443 -14.2966 -14.2966 9.1195 9.1195 13.5056 13.5056 16.3299 16.3299 16.3954 16.3954 19.3606 19.3606 21.4008 21.4008 23.2922 23.2922 23.7894 23.7894 26.1688 26.1688 k = 0.4603 0.2658-0.0000 ( 820 PWs) bands (ev): -41.2371 -41.2371 -17.1386 -17.1386 -14.8478 -14.8478 -14.2966 -14.2966 9.1432 9.1432 13.4937 13.4937 16.3152 16.3152 16.3791 16.3791 19.3869 19.3869 21.3964 21.3964 23.2807 23.2807 23.8202 23.8202 26.1787 26.1787 k = 0.4683 0.2703-0.0000 ( 820 PWs) bands (ev): -41.2365 -41.2365 -17.1409 -17.1409 -14.8508 -14.8508 -14.2966 -14.2966 9.1628 9.1628 13.4839 13.4839 16.3032 16.3032 16.3654 16.3654 19.4086 19.4086 21.3928 21.3928 23.2712 23.2712 23.8464 23.8464 26.1868 26.1868 k = 0.4762 0.2749-0.0000 ( 820 PWs) bands (ev): -41.2359 -41.2359 -17.1426 -17.1426 -14.8530 -14.8530 -14.2966 -14.2966 9.1781 9.1781 13.4764 13.4764 16.2938 16.2938 16.3545 16.3545 19.4256 19.4256 21.3900 21.3900 23.2638 23.2638 23.8674 23.8674 26.1930 26.1930 k = 0.4841 0.2795-0.0000 ( 820 PWs) bands (ev): -41.2356 -41.2356 -17.1439 -17.1439 -14.8547 -14.8547 -14.2966 -14.2966 9.1891 9.1891 13.4710 13.4710 16.2871 16.2871 16.3466 16.3466 19.4379 19.4379 21.3880 21.3880 23.2584 23.2584 23.8827 23.8827 26.1975 26.1975 k = 0.4921 0.2841-0.0000 ( 816 PWs) bands (ev): -41.2352 -41.2352 -17.1446 -17.1446 -14.8556 -14.8556 -14.2966 -14.2966 9.1957 9.1957 13.4678 13.4678 16.2831 16.2831 16.3418 16.3418 19.4453 19.4453 21.3867 21.3867 23.2551 23.2551 23.8921 23.8921 26.2001 26.2001 k = 0.5000 0.2887-0.0000 ( 812 PWs) bands (ev): -41.2349 -41.2349 -17.1448 -17.1448 -14.8559 -14.8559 -14.2965 -14.2965 9.1980 9.1980 13.4668 13.4668 16.2817 16.2817 16.3402 16.3402 19.4477 19.4477 21.3863 21.3863 23.2541 23.2541 23.8952 23.8952 26.2010 26.2010 k = 0.5000 0.2887-0.0000 ( 812 PWs) bands (ev): -41.2349 -41.2349 -17.1448 -17.1448 -14.8559 -14.8559 -14.2965 -14.2965 9.1980 9.1980 13.4668 13.4668 16.2817 16.2817 16.3402 16.3402 19.4477 19.4477 21.3863 21.3863 23.2541 23.2541 23.8952 23.8952 26.2010 26.2010 k = 0.4955 0.2965-0.0000 ( 820 PWs) bands (ev): -41.2352 -41.2352 -17.1458 -17.1440 -14.8575 -14.8546 -14.2970 -14.2966 9.1960 9.2017 13.4667 13.4682 16.2810 16.2830 16.3382 16.3417 19.4469 19.4484 21.3804 21.3855 23.2486 23.2522 23.8883 23.8991 26.2024 26.2077 k = 0.4910 0.3043-0.0000 ( 820 PWs) bands (ev): -41.2351 -41.2351 -17.1468 -17.1431 -14.8591 -14.8533 -14.2977 -14.2969 9.1959 9.2073 13.4680 13.4711 16.2808 16.2849 16.3356 16.3427 19.4461 19.4491 21.3679 21.3780 23.2360 23.2431 23.8785 23.8999 26.2117 26.2223 k = 0.4865 0.3121-0.0000 ( 820 PWs) bands (ev): -41.2350 -41.2350 -17.1477 -17.1422 -14.8609 -14.8521 -14.2988 -14.2975 9.1976 9.2148 13.4708 13.4754 16.2810 16.2873 16.3324 16.3431 19.4453 19.4499 21.3489 21.3640 23.2165 23.2268 23.8658 23.8974 26.2289 26.2446 k = 0.4820 0.3199-0.0000 ( 820 PWs) bands (ev): -41.2349 -41.2349 -17.1487 -17.1413 -14.8627 -14.8510 -14.3002 -14.2984 9.2011 9.2240 13.4750 13.4810 16.2816 16.2903 16.3288 16.3428 19.4446 19.4509 21.3237 21.3437 23.1906 23.2035 23.8503 23.8915 26.2537 26.2744 k = 0.4775 0.3277-0.0000 ( 820 PWs) bands (ev): -41.2346 -41.2346 -17.1497 -17.1405 -14.8647 -14.8501 -14.3019 -14.2996 9.2064 9.2349 13.4806 13.4881 16.2824 16.2938 16.3246 16.3417 19.4442 19.4521 21.2927 21.3174 23.1585 23.1736 23.8319 23.8819 26.2857 26.3112 k = 0.4730 0.3355-0.0000 ( 816 PWs) bands (ev): -41.2342 -41.2342 -17.1506 -17.1396 -14.8667 -14.8492 -14.3038 -14.3011 9.2133 9.2475 13.4876 13.4965 16.2831 16.2979 16.3202 16.3399 19.4443 19.4540 21.2564 21.2855 23.1209 23.1377 23.8107 23.8687 26.3244 26.3546 k = 0.4685 0.3433-0.0000 ( 816 PWs) bands (ev): -41.2339 -41.2339 -17.1516 -17.1388 -14.8689 -14.8484 -14.3061 -14.3029 9.2220 9.2618 13.4960 13.5064 16.2831 16.3024 16.3159 16.3371 19.4450 19.4565 21.2152 21.2486 23.0782 23.0962 23.7864 23.8517 26.3693 26.4039 k = 0.4640 0.3511-0.0000 ( 816 PWs) bands (ev): -41.2336 -41.2336 -17.1526 -17.1381 -14.8711 -14.8478 -14.3087 -14.3049 9.2322 9.2776 13.5058 13.5176 16.2813 16.3072 16.3127 16.3333 19.4466 19.4601 21.1696 21.2072 23.0310 23.0498 23.7590 23.8309 26.4198 26.4587 k = 0.4595 0.3589-0.0000 ( 816 PWs) bands (ev): -41.2332 -41.2332 -17.1536 -17.1373 -14.8735 -14.8473 -14.3115 -14.3072 9.2439 9.2949 13.5171 13.5301 16.2763 16.3116 16.3120 16.3286 19.4494 19.4651 21.1203 21.1617 22.9798 22.9989 23.7285 23.8062 26.4754 26.5182 k = 0.4550 0.3667-0.0000 ( 818 PWs) bands (ev): -41.2328 -41.2328 -17.1547 -17.1367 -14.8761 -14.8470 -14.3146 -14.3096 9.2570 9.3135 13.5297 13.5441 16.2679 16.3128 16.3146 16.3252 19.4537 19.4716 21.0678 21.1128 22.9251 22.9444 23.6948 23.7778 26.5352 26.5818 k = 0.4505 0.3745-0.0000 ( 816 PWs) bands (ev): -41.2323 -41.2323 -17.1557 -17.1360 -14.8786 -14.8467 -14.3178 -14.3123 9.2715 9.3334 13.5438 13.5593 16.2565 16.3096 16.3156 16.3280 19.4598 19.4801 21.0126 21.0611 22.8674 22.8866 23.6580 23.7458 26.5988 26.6488 k = 0.4459 0.3823-0.0000 ( 816 PWs) bands (ev): -41.2318 -41.2318 -17.1567 -17.1354 -14.8813 -14.8465 -14.3213 -14.3150 9.2872 9.3545 13.5593 13.5759 16.2423 16.3001 16.3196 16.3339 19.4680 19.4908 20.9553 21.0070 22.8074 22.8263 23.6180 23.7101 26.6654 26.7187 k = 0.4414 0.3901-0.0000 ( 816 PWs) bands (ev): -41.2313 -41.2313 -17.1578 -17.1348 -14.8841 -14.8465 -14.3248 -14.3179 9.3040 9.3766 13.5761 13.5938 16.2257 16.2881 16.3242 16.3406 19.4786 19.5042 20.8964 20.9512 22.7454 22.7640 23.5750 23.6711 26.7344 26.7907 k = 0.4369 0.3979-0.0000 ( 816 PWs) bands (ev): -41.2307 -41.2307 -17.1588 -17.1343 -14.8870 -14.8466 -14.3285 -14.3209 9.3218 9.3996 13.5943 13.6130 16.2065 16.2737 16.3293 16.3476 19.4919 19.5204 20.8365 20.8942 22.6819 22.7001 23.5289 23.6287 26.8051 26.8643 k = 0.4324 0.4057-0.0000 ( 816 PWs) bands (ev): -41.2302 -41.2302 -17.1599 -17.1338 -14.8900 -14.8468 -14.3323 -14.3240 9.3404 9.4235 13.6139 13.6334 16.1849 16.2571 16.3347 16.3550 19.5082 19.5397 20.7760 20.8364 22.6174 22.6351 23.4799 23.5832 26.8769 26.9388 k = 0.4279 0.4135-0.0000 ( 814 PWs) bands (ev): -41.2295 -41.2295 -17.1610 -17.1334 -14.8930 -14.8471 -14.3361 -14.3270 9.3598 9.4479 13.6348 13.6550 16.1607 16.2380 16.3404 16.3624 19.5277 19.5625 20.7154 20.7783 22.5523 22.5696 23.4282 23.5348 26.9493 27.0137 k = 0.4234 0.4213-0.0000 ( 810 PWs) bands (ev): -41.2287 -41.2287 -17.1620 -17.1329 -14.8961 -14.8475 -14.3399 -14.3301 9.3798 9.4729 13.6569 13.6777 16.1339 16.2165 16.3462 16.3699 19.5507 19.5889 20.6552 20.7204 22.4870 22.5038 23.3739 23.4838 27.0216 27.0883 k = 0.4189 0.4291-0.0000 ( 810 PWs) bands (ev): -41.2281 -41.2281 -17.1631 -17.1326 -14.8992 -14.8481 -14.3437 -14.3332 9.4002 9.4981 13.6803 13.7016 16.1047 16.1926 16.3521 16.3775 19.5772 19.6191 20.5957 20.6632 22.4218 22.4383 23.3172 23.4303 27.0934 27.1622 k = 0.4144 0.4369-0.0000 ( 802 PWs) bands (ev): -41.2272 -41.2272 -17.1641 -17.1323 -14.9023 -14.8487 -14.3473 -14.3361 9.4210 9.5236 13.7048 13.7264 16.0729 16.1663 16.3580 16.3849 19.6075 19.6532 20.5374 20.6069 22.3572 22.3732 23.2583 23.3746 27.1641 27.2350 k = 0.4099 0.4447-0.0000 ( 806 PWs) bands (ev): -41.2267 -41.2267 -17.1652 -17.1321 -14.9056 -14.8495 -14.3511 -14.3391 9.4420 9.5491 13.7305 13.7522 16.0389 16.1376 16.3638 16.3923 19.6414 19.6911 20.4806 20.5519 22.2934 22.3090 23.1975 23.3170 27.2333 27.3060 k = 0.4054 0.4525-0.0000 ( 806 PWs) bands (ev): -41.2260 -41.2260 -17.1663 -17.1320 -14.9088 -14.8504 -14.3547 -14.3419 9.4629 9.5744 13.7571 13.7787 16.0026 16.1068 16.3694 16.3994 19.6789 19.7331 20.4257 20.4987 22.2307 22.2458 23.1349 23.2579 27.3004 27.3749 k = 0.4009 0.4603-0.0000 ( 810 PWs) bands (ev): -41.2256 -41.2256 -17.1675 -17.1320 -14.9121 -14.8514 -14.3583 -14.3448 9.4837 9.5995 13.7846 13.8060 15.9644 16.0741 16.3748 16.4062 19.7201 19.7789 20.3730 20.4474 22.1694 22.1841 23.0710 23.1974 27.3652 27.4412 k = 0.3964 0.4681-0.0000 ( 806 PWs) bands (ev): -41.2248 -41.2248 -17.1685 -17.1319 -14.9152 -14.8524 -14.3615 -14.3473 9.5042 9.6240 13.8128 13.8337 15.9245 16.0396 16.3799 16.4127 19.7644 19.8283 20.3228 20.3984 22.1098 22.1240 23.0061 23.1360 27.4272 27.5047 k = 0.3919 0.4759-0.0000 ( 806 PWs) bands (ev): -41.2242 -41.2242 -17.1695 -17.1319 -14.9183 -14.8535 -14.3647 -14.3498 9.5243 9.6480 13.8416 13.8619 15.8832 16.0037 16.3848 16.4189 19.8117 19.8811 20.2754 20.3520 22.0522 22.0657 22.9405 23.0741 27.4861 27.5649 k = 0.3874 0.4837-0.0000 ( 810 PWs) bands (ev): -41.2237 -41.2237 -17.1706 -17.1320 -14.9214 -14.8547 -14.3677 -14.3522 9.5438 9.6711 13.8708 13.8901 15.8410 15.9669 16.3892 16.4246 19.8613 19.9370 20.2314 20.3083 21.9968 22.0095 22.8746 23.0121 27.5416 27.6216 k = 0.3829 0.4915-0.0000 ( 810 PWs) bands (ev): -41.2232 -41.2232 -17.1717 -17.1322 -14.9243 -14.8558 -14.3705 -14.3544 9.5625 9.6932 13.9001 13.9183 15.7983 15.9295 16.3933 16.4298 19.9123 19.9954 20.1913 20.2677 21.9439 21.9557 22.8089 22.9505 27.5933 27.6745 k = 0.3784 0.4993-0.0000 ( 806 PWs) bands (ev): -41.2225 -41.2225 -17.1726 -17.1323 -14.9271 -14.8570 -14.3730 -14.3563 9.5804 9.7142 13.9292 13.9460 15.7557 15.8920 16.3969 16.4345 19.9630 20.0556 20.1563 20.2304 21.8938 21.9043 22.7439 22.8898 27.6412 27.7233 k = 0.3739 0.5071-0.0000 ( 806 PWs) bands (ev): -41.2219 -41.2219 -17.1735 -17.1325 -14.9297 -14.8581 -14.3753 -14.3581 9.5972 9.7340 13.9578 13.9730 15.7136 15.8551 16.4000 16.4386 20.0087 20.1162 20.1306 20.1973 21.8468 21.8558 22.6803 22.8306 27.6848 27.7679 k = 0.3694 0.5149-0.0000 ( 810 PWs) bands (ev): -41.2216 -41.2216 -17.1745 -17.1327 -14.9322 -14.8593 -14.3775 -14.3598 9.6127 9.7522 13.9855 13.9990 15.6728 15.8192 16.4027 16.4422 20.0342 20.1285 20.1566 20.1882 21.8033 21.8105 22.6187 22.7735 27.7242 27.8080 k = 0.3649 0.5227-0.0000 ( 810 PWs) bands (ev): -41.2212 -41.2212 -17.1753 -17.1330 -14.9345 -14.8604 -14.3793 -14.3612 9.6270 9.7689 14.0118 14.0234 15.6340 15.7851 16.4050 16.4452 20.0286 20.1349 20.1601 20.2438 21.7636 21.7687 22.5600 22.7194 27.7591 27.8436 k = 0.3604 0.5305-0.0000 ( 810 PWs) bands (ev): -41.2208 -41.2208 -17.1760 -17.1332 -14.9365 -14.8614 -14.3809 -14.3624 9.6398 9.7837 14.0362 14.0459 15.5980 15.7534 16.4068 16.4477 20.0114 20.1118 20.2045 20.3022 21.7284 21.7310 22.5049 22.6690 27.7895 27.8745 k = 0.3559 0.5383-0.0000 ( 810 PWs) bands (ev): -41.2204 -41.2204 -17.1767 -17.1334 -14.9383 -14.8623 -14.3822 -14.3635 9.6509 9.7967 14.0582 14.0660 15.5655 15.7248 16.4081 16.4496 19.9938 20.0919 20.2491 20.3572 21.6979 21.6979 22.4546 22.6232 27.8152 27.9007 k = 0.3514 0.5461-0.0000 ( 810 PWs) bands (ev): -41.2201 -41.2201 -17.1773 -17.1337 -14.9398 -14.8632 -14.3833 -14.3643 9.6604 9.8076 14.0773 14.0833 15.5373 15.7002 16.4091 16.4511 19.9784 20.0755 20.2897 20.4066 21.6702 21.6728 22.4102 22.5832 27.8362 27.9222 k = 0.3468 0.5539-0.0000 ( 810 PWs) bands (ev): -41.2199 -41.2199 -17.1778 -17.1339 -14.9411 -14.8638 -14.3841 -14.3649 9.6679 9.8163 14.0928 14.0972 15.5143 15.6801 16.4097 16.4521 19.9662 20.0628 20.3239 20.4481 21.6485 21.6534 22.3730 22.5499 27.8525 27.9388 k = 0.3423 0.5617-0.0000 ( 810 PWs) bands (ev): -41.2197 -41.2197 -17.1781 -17.1340 -14.9419 -14.8643 -14.3847 -14.3654 9.6734 9.8227 14.1042 14.1075 15.4972 15.6652 16.4101 16.4527 19.9574 20.0538 20.3498 20.4796 21.6332 21.6400 22.3446 22.5247 27.8641 27.9506 k = 0.3378 0.5695-0.0000 ( 810 PWs) bands (ev): -41.2196 -41.2196 -17.1783 -17.1341 -14.9425 -14.8647 -14.3851 -14.3656 9.6768 9.8266 14.1112 14.1137 15.4867 15.6560 16.4102 16.4530 19.9521 20.0484 20.3659 20.4993 21.6245 21.6323 22.3264 22.5088 27.8710 27.9576 k = 0.3333 0.5774-0.0000 ( 804 PWs) bands (ev): -41.2194 -41.2194 -17.1783 -17.1341 -14.9426 -14.8647 -14.3851 -14.3657 9.6780 9.8280 14.1136 14.1158 15.4831 15.6528 16.4102 16.4531 19.9504 20.0466 20.3714 20.5061 21.6219 21.6300 22.3200 22.5032 27.8733 27.9600 k = 0.3333 0.5774-0.0000 ( 804 PWs) bands (ev): -41.2194 -41.2194 -17.1783 -17.1341 -14.9426 -14.8647 -14.3851 -14.3657 9.6780 9.8280 14.1136 14.1158 15.4831 15.6528 16.4102 16.4531 19.9504 20.0466 20.3714 20.5061 21.6219 21.6300 22.3200 22.5032 27.8733 27.9600 k = 0.3288 0.5694-0.0000 ( 812 PWs) bands (ev): -41.2197 -41.2197 -17.1784 -17.1342 -14.9425 -14.8647 -14.3851 -14.3657 9.6767 9.8265 14.1112 14.1137 15.4868 15.6561 16.4102 16.4530 19.9521 20.0484 20.3657 20.4992 21.6241 21.6320 22.3269 22.5092 27.8710 27.9576 k = 0.3242 0.5615-0.0000 ( 812 PWs) bands (ev): -41.2198 -41.2198 -17.1781 -17.1340 -14.9419 -14.8643 -14.3848 -14.3654 9.6730 9.8222 14.1042 14.1074 15.4979 15.6659 16.4103 16.4530 19.9574 20.0538 20.3491 20.4790 21.6298 21.6374 22.3482 22.5275 27.8641 27.9505 k = 0.3196 0.5536-0.0000 ( 812 PWs) bands (ev): -41.2200 -41.2200 -17.1776 -17.1338 -14.9409 -14.8636 -14.3842 -14.3650 9.6666 9.8150 14.0930 14.0973 15.5162 15.6821 16.4106 16.4530 19.9659 20.0626 20.3222 20.4466 21.6374 21.6451 22.3838 22.5581 27.8526 27.9389 k = 0.3151 0.5457-0.0000 ( 812 PWs) bands (ev): -41.2203 -41.2203 -17.1770 -17.1334 -14.9394 -14.8627 -14.3835 -14.3644 9.6575 9.8046 14.0781 14.0838 15.5412 15.7044 16.4112 16.4533 19.9774 20.0747 20.2862 20.4035 21.6459 21.6541 22.4329 22.6006 27.8368 27.9228 k = 0.3105 0.5378-0.0000 ( 814 PWs) bands (ev): -41.2208 -41.2208 -17.1761 -17.1329 -14.9375 -14.8615 -14.3825 -14.3637 9.6457 9.7912 14.0603 14.0675 15.5724 15.7323 16.4122 16.4539 19.9914 20.0899 20.2427 20.3515 21.6549 21.6640 22.4939 22.6540 27.8167 27.9024 k = 0.3059 0.5299-0.0000 ( 814 PWs) bands (ev): -41.2212 -41.2212 -17.1750 -17.1321 -14.9352 -14.8599 -14.3814 -14.3628 9.6309 9.7745 14.0404 14.0490 15.6091 15.7655 16.4138 16.4550 20.0068 20.1080 20.1937 20.2920 21.6645 21.6747 22.5648 22.7168 27.7925 27.8778 k = 0.3014 0.5220-0.0000 ( 814 PWs) bands (ev): -41.2218 -41.2218 -17.1737 -17.1313 -14.9323 -14.8579 -14.3801 -14.3619 9.6132 9.7546 14.0190 14.0290 15.6506 15.8033 16.4161 16.4567 20.0196 20.1283 20.1441 20.2272 21.6750 21.6862 22.6435 22.7874 27.7643 27.8492 k = 0.2968 0.5141-0.0000 ( 814 PWs) bands (ev): -41.2224 -41.2224 -17.1720 -17.1302 -14.9290 -14.8556 -14.3787 -14.3608 9.5926 9.7313 13.9970 14.0080 15.6963 15.8452 16.4192 16.4593 20.0142 20.1104 20.1386 20.1701 21.6868 21.6988 22.7279 22.8639 27.7323 27.8166 k = 0.2922 0.5062-0.0000 ( 814 PWs) bands (ev): -41.2232 -41.2232 -17.1702 -17.1289 -14.9252 -14.8529 -14.3771 -14.3596 9.5690 9.7048 13.9749 13.9868 15.7456 15.8905 16.4233 16.4627 19.9708 20.0760 20.1132 20.1844 21.7002 21.7129 22.8162 22.9449 27.6965 27.7803 k = 0.2877 0.4983-0.0000 ( 816 PWs) bands (ev): -41.2241 -41.2241 -17.1680 -17.1274 -14.9210 -14.8499 -14.3755 -14.3583 9.5423 9.6750 13.9534 13.9658 15.7978 15.9388 16.4284 16.4671 19.9068 19.9988 20.1354 20.2126 21.7157 21.7287 22.9066 23.0285 27.6572 27.7404 k = 0.2831 0.4904-0.0000 ( 816 PWs) bands (ev): -41.2251 -41.2251 -17.1655 -17.1256 -14.9162 -14.8465 -14.3737 -14.3569 9.5126 9.6418 13.9331 13.9457 15.8523 15.9895 16.4348 16.4727 19.8354 19.9182 20.1646 20.2440 21.7335 21.7464 22.9978 23.1136 27.6145 27.6970 k = 0.2785 0.4824-0.0000 ( 816 PWs) bands (ev): -41.2262 -41.2262 -17.1628 -17.1236 -14.9110 -14.8426 -14.3717 -14.3554 9.4799 9.6055 13.9143 13.9267 15.9086 16.0421 16.4424 16.4796 19.7602 19.8355 20.1976 20.2777 21.7536 21.7662 23.0884 23.1986 27.5685 27.6503 k = 0.2740 0.4745-0.0000 ( 820 PWs) bands (ev): -41.2275 -41.2275 -17.1597 -17.1214 -14.9053 -14.8384 -14.3698 -14.3539 9.4441 9.5659 13.8975 13.9095 15.9663 16.0962 16.4515 16.4879 19.6824 19.7512 20.2333 20.3135 21.7762 21.7883 23.1774 23.2826 27.5193 27.6003 k = 0.2694 0.4666-0.0000 ( 824 PWs) bands (ev): -41.2289 -41.2289 -17.1564 -17.1189 -14.8991 -14.8338 -14.3677 -14.3523 9.4055 9.5232 13.8830 13.8942 16.0249 16.1511 16.4622 16.4977 19.6029 19.6658 20.2713 20.3512 21.8014 21.8128 23.2637 23.3643 27.4671 27.5474 k = 0.2648 0.4587-0.0000 ( 824 PWs) bands (ev): -41.2303 -41.2303 -17.1527 -17.1161 -14.8924 -14.8288 -14.3655 -14.3505 9.3639 9.4774 13.8710 13.8813 16.0839 16.2066 16.4745 16.5091 19.5222 19.5797 20.3112 20.3906 21.8292 21.8396 23.3465 23.4430 27.4121 27.4915 k = 0.2603 0.4508-0.0000 ( 824 PWs) bands (ev): -41.2318 -41.2318 -17.1486 -17.1129 -14.8852 -14.8233 -14.3632 -14.3488 9.3196 9.4288 13.8619 13.8709 16.1429 16.2622 16.4886 16.5223 19.4408 19.4932 20.3527 20.4315 21.8596 21.8688 23.4250 23.5178 27.3542 27.4328 k = 0.2557 0.4429-0.0000 ( 820 PWs) bands (ev): -41.2332 -41.2332 -17.1442 -17.1095 -14.8775 -14.8173 -14.3609 -14.3469 9.2725 9.3773 13.8556 13.8632 16.2015 16.3175 16.5045 16.5373 19.3589 19.4067 20.3958 20.4739 21.8925 21.9004 23.4987 23.5881 27.2938 27.3715 k = 0.2511 0.4350-0.0000 ( 820 PWs) bands (ev): -41.2349 -41.2349 -17.1395 -17.1057 -14.8694 -14.8109 -14.3585 -14.3451 9.2228 9.3232 13.8524 13.8585 16.2593 16.3721 16.5224 16.5542 19.2770 19.3202 20.4401 20.5174 21.9279 21.9343 23.5670 23.6534 27.2308 27.3076 k = 0.2466 0.4271-0.0000 ( 820 PWs) bands (ev): -41.2367 -41.2367 -17.1345 -17.1017 -14.8608 -14.8042 -14.3561 -14.3432 9.1706 9.2665 13.8524 13.8568 16.3159 16.4255 16.5423 16.5731 19.1953 19.2342 20.4856 20.5620 21.9657 21.9705 23.6296 23.7131 27.1653 27.2412 k = 0.2420 0.4192-0.0000 ( 820 PWs) bands (ev): -41.2385 -41.2385 -17.1292 -17.0974 -14.8518 -14.7970 -14.3536 -14.3413 9.1160 9.2074 13.8556 13.8582 16.3710 16.4774 16.5643 16.5941 19.1140 19.1487 20.5321 20.6076 22.0059 22.0089 23.6863 23.7672 27.0975 27.1724 k = 0.2374 0.4113-0.0000 ( 816 PWs) bands (ev): -41.2404 -41.2404 -17.1234 -17.0928 -14.8422 -14.7894 -14.3511 -14.3393 9.0592 9.1461 13.8621 13.8628 16.4241 16.5273 16.5886 16.6172 19.0333 19.0641 20.5793 20.6539 22.0483 22.0495 23.7369 23.8154 27.0275 27.1014 k = 0.2329 0.4034-0.0000 ( 820 PWs) bands (ev): -41.2426 -41.2426 -17.1175 -17.0879 -14.8323 -14.7814 -14.3487 -14.3374 9.0003 9.0828 13.8707 13.8718 16.4749 16.5750 16.6151 16.6425 18.9535 18.9803 20.6272 20.7008 22.0921 22.0930 23.7815 23.8579 26.9553 27.0281 k = 0.2283 0.3954-0.0000 ( 816 PWs) bands (ev): -41.2446 -41.2446 -17.1112 -17.0826 -14.8219 -14.7729 -14.3462 -14.3355 8.9394 9.0175 13.8818 13.8847 16.5230 16.6200 16.6440 16.6700 18.8747 18.8976 20.6756 20.7482 22.1367 22.1398 23.8202 23.8947 26.8810 26.9527 k = 0.2237 0.3875-0.0000 ( 816 PWs) bands (ev): -41.2469 -41.2469 -17.1046 -17.0772 -14.8111 -14.7641 -14.3437 -14.3335 8.8768 8.9506 13.8962 13.9009 16.5681 16.6620 16.6752 16.6998 18.7971 18.8162 20.7244 20.7960 22.1833 22.1886 23.8534 23.9262 26.8046 26.8753 k = 0.2192 0.3796-0.0000 ( 818 PWs) bands (ev): -41.2493 -41.2493 -17.0978 -17.0714 -14.7999 -14.7549 -14.3412 -14.3315 8.8125 8.8821 13.9138 13.9203 16.6100 16.7007 16.7087 16.7319 18.7209 18.7360 20.7735 20.8440 22.2316 22.2394 23.8815 23.9528 26.7263 26.7959 k = 0.2146 0.3717-0.0000 ( 822 PWs) bands (ev): -41.2519 -41.2519 -17.0907 -17.0655 -14.7884 -14.7453 -14.3388 -14.3296 8.7467 8.8123 13.9345 13.9428 16.6484 16.7355 16.7443 16.7664 18.6461 18.6574 20.8227 20.8922 22.2817 22.2921 23.9050 23.9751 26.6461 26.7146 k = 0.2100 0.3638-0.0000 ( 822 PWs) bands (ev): -41.2544 -41.2544 -17.0833 -17.0592 -14.7764 -14.7353 -14.3363 -14.3276 8.6796 8.7412 13.9585 13.9684 16.6831 16.7663 16.7821 16.8033 18.5728 18.5803 20.8718 20.9402 22.3335 22.3465 23.9246 23.9936 26.5641 26.6314 k = 0.2055 0.3559-0.0000 ( 822 PWs) bands (ev): -41.2570 -41.2570 -17.0757 -17.0527 -14.7641 -14.7249 -14.3338 -14.3257 8.6114 8.6692 13.9855 13.9970 16.7139 16.7927 16.8221 16.8427 18.5012 18.5048 20.9208 20.9882 22.3869 22.4027 23.9408 24.0090 26.4802 26.5463 k = 0.2009 0.3480-0.0000 ( 818 PWs) bands (ev): -41.2594 -41.2594 -17.0678 -17.0459 -14.7513 -14.7141 -14.3313 -14.3237 8.5422 8.5962 14.0155 14.0286 16.7405 16.8145 16.8643 16.8846 18.4310 18.4314 20.9696 21.0359 22.4418 22.4606 23.9544 24.0221 26.3946 26.4595 k = 0.1963 0.3401-0.0000 ( 818 PWs) bands (ev): -41.2622 -41.2622 -17.0597 -17.0389 -14.7383 -14.7029 -14.3289 -14.3217 8.4721 8.5226 14.0485 14.0629 16.7625 16.8314 16.9089 16.9290 18.3589 18.3632 21.0180 21.0832 22.4982 22.5199 23.9662 24.0336 26.3073 26.3709 k = 0.1918 0.3322-0.0000 ( 818 PWs) bands (ev): -41.2649 -41.2649 -17.0515 -17.0317 -14.7249 -14.6915 -14.3265 -14.3198 8.4014 8.4485 14.0843 14.1000 16.7796 16.8433 16.9561 16.9758 18.2886 18.2968 21.0660 21.1300 22.5560 22.5808 23.9769 24.0441 26.2182 26.2807 k = 0.1872 0.3243-0.0000 ( 814 PWs) bands (ev): -41.2676 -41.2676 -17.0430 -17.0243 -14.7111 -14.6796 -14.3241 -14.3179 8.3301 8.3740 14.1229 14.1398 16.7918 16.8503 17.0057 17.0252 18.2199 18.2320 21.1134 21.1763 22.6152 22.6431 23.9871 24.0545 26.1276 26.1887 k = 0.1826 0.3164-0.0000 ( 814 PWs) bands (ev): -41.2705 -41.2705 -17.0344 -17.0168 -14.6972 -14.6674 -14.3218 -14.3160 8.2584 8.2992 14.1641 14.1821 16.7990 16.8523 17.0579 17.0771 18.1529 18.1688 21.1602 21.2218 22.6757 22.7068 23.9975 24.0653 26.0353 26.0951 k = 0.1781 0.3084-0.0000 ( 814 PWs) bands (ev): -41.2734 -41.2734 -17.0258 -17.0092 -14.6829 -14.6550 -14.3195 -14.3142 8.1866 8.2243 14.2080 14.2269 16.8013 16.8494 17.1126 17.1314 18.0875 18.1070 21.2062 21.2667 22.7376 22.7719 24.0088 24.0770 25.9414 25.9999 k = 0.1735 0.3005-0.0000 ( 814 PWs) bands (ev): -41.2764 -41.2764 -17.0170 -17.0014 -14.6684 -14.6422 -14.3173 -14.3124 8.1146 8.1495 14.2542 14.2740 16.7988 16.8418 17.1699 17.1882 18.0235 18.0464 21.2514 21.3107 22.8008 22.8382 24.0214 24.0903 25.8460 25.9032 k = 0.1689 0.2926-0.0000 ( 816 PWs) bands (ev): -41.2794 -41.2794 -17.0082 -16.9935 -14.6537 -14.6292 -14.3151 -14.3106 8.0427 8.0749 14.3028 14.3233 16.7916 16.8298 17.2296 17.2475 17.9608 17.9870 21.2956 21.3537 22.8654 22.9057 24.0357 24.1053 25.7490 25.8049 k = 0.1644 0.2847-0.0000 ( 816 PWs) bands (ev): -41.2825 -41.2825 -16.9992 -16.9856 -14.6387 -14.6160 -14.3129 -14.3088 7.9709 8.0006 14.3536 14.3747 16.7802 16.8136 17.2919 17.3093 17.8993 17.9284 21.3390 21.3958 22.9312 22.9745 24.0521 24.1225 25.6505 25.7051 k = 0.1598 0.2768-0.0000 ( 820 PWs) bands (ev): -41.2857 -41.2857 -16.9904 -16.9776 -14.6237 -14.6025 -14.3109 -14.3072 7.8995 7.9268 14.4065 14.4281 16.7648 16.7937 17.3565 17.3734 17.8387 17.8705 21.3812 21.4368 22.9984 23.0445 24.0710 24.1421 25.5505 25.6038 k = 0.1553 0.2689-0.0000 ( 822 PWs) bands (ev): -41.2888 -41.2888 -16.9814 -16.9696 -14.6084 -14.5888 -14.3089 -14.3055 7.8285 7.8535 14.4613 14.4832 16.7457 16.7704 17.4236 17.4398 17.7790 17.8131 21.4224 21.4768 23.0669 23.1156 24.0923 24.1642 25.4492 25.5011 k = 0.1507 0.2610-0.0000 ( 818 PWs) bands (ev): -41.2917 -41.2917 -16.9724 -16.9615 -14.5929 -14.5748 -14.3068 -14.3038 7.7580 7.7809 14.5179 14.5401 16.7234 16.7442 17.4928 17.5084 17.7201 17.7562 21.4625 21.5155 23.1367 23.1878 24.1162 24.1888 25.3464 25.3970 k = 0.1461 0.2531-0.0000 ( 822 PWs) bands (ev): -41.2949 -41.2949 -16.9636 -16.9535 -14.5774 -14.5609 -14.3049 -14.3022 7.6883 7.7091 14.5761 14.5985 16.6984 16.7156 17.5636 17.5783 17.6625 17.7004 21.5013 21.5531 23.2078 23.2611 24.1428 24.2158 25.2422 25.2916 k = 0.1416 0.2452-0.0000 ( 820 PWs) bands (ev): -41.2979 -41.2979 -16.9547 -16.9454 -14.5618 -14.5466 -14.3030 -14.3006 7.6193 7.6383 14.6357 14.6582 16.6710 16.6849 17.5976 17.6277 17.6444 17.6674 21.5390 21.5893 23.2802 23.3354 24.1719 24.2451 25.1367 25.1849 k = 0.1370 0.2373-0.0000 ( 820 PWs) bands (ev): -41.3009 -41.3009 -16.9460 -16.9374 -14.5462 -14.5324 -14.3011 -14.2991 7.5513 7.5685 14.6966 14.7191 16.6418 16.6527 17.5430 17.5807 17.7175 17.7331 21.5753 21.6244 23.3539 23.4107 24.2035 24.2766 25.0299 25.0771 k = 0.1324 0.2294-0.0000 ( 820 PWs) bands (ev): -41.3040 -41.3040 -16.9373 -16.9295 -14.5306 -14.5180 -14.2993 -14.2976 7.4842 7.4998 14.7586 14.7809 16.6111 16.6194 17.4858 17.5244 17.7957 17.8102 21.6104 21.6580 23.4287 23.4868 24.2373 24.3099 24.9219 24.9683 k = 0.1279 0.2214-0.0000 ( 820 PWs) bands (ev): -41.3070 -41.3070 -16.9288 -16.9217 -14.5150 -14.5036 -14.2976 -14.2961 7.4184 7.4323 14.8214 14.8435 16.5793 16.5853 17.4285 17.4673 17.8764 17.8901 21.6441 21.6904 23.5045 23.5637 24.2731 24.3446 24.8127 24.8586 k = 0.1233 0.2135-0.0000 ( 820 PWs) bands (ev): -41.3099 -41.3099 -16.9204 -16.9140 -14.4994 -14.4893 -14.2959 -14.2946 7.3537 7.3662 14.8849 14.9066 16.5470 16.5508 17.3715 17.4102 17.9593 17.9724 21.6766 21.7214 23.5813 23.6413 24.3107 24.3799 24.7024 24.7488 k = 0.1187 0.2056-0.0000 ( 820 PWs) bands (ev): -41.3129 -41.3129 -16.9122 -16.9064 -14.4840 -14.4749 -14.2942 -14.2932 7.2904 7.3016 14.9487 14.9699 16.5145 16.5163 17.3148 17.3531 18.0442 18.0567 21.7077 21.7511 23.6589 23.7193 24.3498 24.4139 24.5912 24.6406 k = 0.1142 0.1977-0.0000 ( 820 PWs) bands (ev): -41.3158 -41.3158 -16.9041 -16.8990 -14.4687 -14.4607 -14.2926 -14.2918 7.2285 7.2385 15.0126 15.0332 16.4821 16.4823 17.2586 17.2962 18.1312 18.1430 21.7374 21.7793 23.7371 23.7977 24.3895 24.4343 24.4796 24.5460 k = 0.1096 0.1898-0.0000 ( 820 PWs) bands (ev): -41.3186 -41.3186 -16.8963 -16.8917 -14.4537 -14.4466 -14.2910 -14.2904 7.1682 7.1770 15.0762 15.0961 16.4489 16.4503 17.2031 17.2398 18.2200 18.2313 21.7658 21.8062 23.8156 23.8761 24.3637 24.3806 24.4337 24.5254 k = 0.1050 0.1819-0.0000 ( 820 PWs) bands (ev): -41.3214 -41.3214 -16.8887 -16.8846 -14.4388 -14.4327 -14.2894 -14.2890 7.1094 7.1172 15.1393 15.1584 16.4167 16.4194 17.1484 17.1840 18.3107 18.3213 21.7929 21.8318 23.8941 23.9542 24.2512 24.2763 24.4747 24.5555 k = 0.1005 0.1740-0.0000 ( 820 PWs) bands (ev): -41.3241 -41.3241 -16.8813 -16.8777 -14.4243 -14.4190 -14.2879 -14.2876 7.0525 7.0593 15.2013 15.2195 16.3859 16.3899 17.0946 17.1291 18.4030 18.4130 21.8186 21.8559 23.9714 24.0297 24.1393 24.1649 24.5171 24.5931 k = 0.0959 0.1661-0.0000 ( 818 PWs) bands (ev): -41.3266 -41.3266 -16.8741 -16.8710 -14.4100 -14.4055 -14.2863 -14.2862 6.9973 7.0032 15.2619 15.2790 16.3569 16.3621 17.0421 17.0751 18.4969 18.5064 21.8429 21.8788 24.0146 24.0242 24.0754 24.1168 24.5596 24.6323 k = 0.0913 0.1582-0.0000 ( 822 PWs) bands (ev): -41.3293 -41.3293 -16.8673 -16.8646 -14.3962 -14.3925 -14.2849 -14.2849 6.9440 6.9492 15.3205 15.3364 16.3302 16.3365 16.9908 17.0225 18.5922 18.6011 21.8660 21.9002 23.9018 23.9265 24.1350 24.1908 24.6021 24.6719 k = 0.0868 0.1503-0.0000 ( 822 PWs) bands (ev): -41.3318 -41.3318 -16.8607 -16.8583 -14.3829 -14.3798 -14.2835 -14.2833 6.8928 6.8972 15.3765 15.3912 16.3063 16.3136 16.9411 16.9712 18.6889 18.6972 21.8878 21.9204 23.7861 23.8108 24.2109 24.2663 24.6442 24.7111 k = 0.0822 0.1424-0.0000 ( 822 PWs) bands (ev): -41.3342 -41.3342 -16.8544 -16.8524 -14.3701 -14.3676 -14.2820 -14.2816 6.8436 6.8473 15.4293 15.4426 16.2856 16.2939 16.8931 16.9216 18.7867 18.7944 21.9082 21.9392 23.6699 23.6938 24.2867 24.3408 24.6857 24.7497 k = 0.0776 0.1345-0.0000 ( 825 PWs) bands (ev): -41.3366 -41.3366 -16.8484 -16.8467 -14.3579 -14.3559 -14.2804 -14.2799 6.7966 6.7997 15.4782 15.4899 16.2688 16.2781 16.8469 16.8739 18.8855 18.8926 21.9274 21.9568 23.5536 23.5766 24.3614 24.4138 24.7263 24.7874 k = 0.0731 0.1265-0.0000 ( 829 PWs) bands (ev): -41.3389 -41.3389 -16.8428 -16.8413 -14.3464 -14.3450 -14.2787 -14.2781 6.7518 6.7544 15.5224 15.5324 16.2564 16.2666 16.8028 16.8281 18.9851 18.9916 21.9454 21.9731 23.4375 23.4594 24.4345 24.4849 24.7659 24.8238 k = 0.0685 0.1186-0.0000 ( 829 PWs) bands (ev): -41.3410 -41.3410 -16.8374 -16.8362 -14.3357 -14.3347 -14.2766 -14.2760 6.7093 6.7114 15.5612 15.5695 16.2489 16.2600 16.7609 16.7845 19.0852 19.0911 21.9621 21.9881 23.3219 23.3426 24.5055 24.5537 24.8042 24.8589 k = 0.0639 0.1107-0.0000 ( 829 PWs) bands (ev): -41.3430 -41.3430 -16.8323 -16.8313 -14.3260 -14.3254 -14.2743 -14.2735 6.6692 6.6709 15.5939 15.6006 16.2468 16.2585 16.7213 16.7433 19.1855 19.1908 21.9775 22.0019 23.2070 23.2266 24.5742 24.6200 24.8411 24.8924 k = 0.0594 0.1028-0.0000 ( 829 PWs) bands (ev): -41.3448 -41.3448 -16.8275 -16.8268 -14.3175 -14.3171 -14.2714 -14.2706 6.6315 6.6329 15.6203 15.6255 16.2500 16.2622 16.6842 16.7045 19.2858 19.2905 21.9918 22.0145 23.0934 23.1117 24.6401 24.6833 24.8764 24.9241 k = 0.0548 0.0949-0.0000 ( 829 PWs) bands (ev): -41.3466 -41.3466 -16.8231 -16.8225 -14.3102 -14.3101 -14.2679 -14.2671 6.5964 6.5975 15.6405 15.6444 16.2584 16.2708 16.6498 16.6683 19.3855 19.3897 22.0049 22.0258 22.9813 22.9984 24.7030 24.7433 24.9099 24.9540 k = 0.0502 0.0870-0.0000 ( 821 PWs) bands (ev): -41.3479 -41.3479 -16.8189 -16.8184 -14.3042 -14.3041 -14.2637 -14.2630 6.5638 6.5647 15.6548 15.6576 16.2713 16.2835 16.6182 16.6349 19.4843 19.4879 22.0168 22.0359 22.8713 22.8872 24.7626 24.7997 24.9416 24.9818 k = 0.0457 0.0791-0.0000 ( 821 PWs) bands (ev): -41.3493 -41.3493 -16.8152 -16.8148 -14.2996 -14.2995 -14.2591 -14.2585 6.5339 6.5345 15.6640 15.6659 16.2875 16.2992 16.5894 16.6044 19.5815 19.5845 22.0274 22.0448 22.7640 22.7787 24.8183 24.8521 24.9714 25.0076 k = 0.0411 0.0712-0.0000 ( 821 PWs) bands (ev): -41.3507 -41.3507 -16.8118 -16.8115 -14.2961 -14.2960 -14.2541 -14.2536 6.5066 6.5071 15.6691 15.6704 16.3058 16.3167 16.5638 16.5770 19.6765 19.6790 22.0368 22.0524 22.6604 22.6737 24.8700 24.9001 24.9992 25.0311 k = 0.0365 0.0633-0.0000 ( 825 PWs) bands (ev): -41.3521 -41.3521 -16.8088 -16.8086 -14.2935 -14.2934 -14.2492 -14.2488 6.4821 6.4824 15.6712 15.6720 16.3250 16.3348 16.5415 16.5528 19.7683 19.7703 22.0448 22.0586 22.5612 22.5732 24.9172 24.9433 25.0250 25.0525 k = 0.0320 0.0554-0.0000 ( 825 PWs) bands (ev): -41.3532 -41.3532 -16.8061 -16.8060 -14.2915 -14.2914 -14.2443 -14.2441 6.4603 6.4605 15.6710 15.6715 16.3436 16.3520 16.5228 16.5321 19.8559 19.8574 22.0513 22.0633 22.4680 22.4785 24.9596 24.9812 25.0490 25.0715 k = 0.0274 0.0475-0.0000 ( 825 PWs) bands (ev): -41.3541 -41.3541 -16.8038 -16.8037 -14.2900 -14.2899 -14.2399 -14.2397 6.4414 6.4415 15.6694 15.6697 16.3605 16.3671 16.5079 16.5152 19.9379 19.9389 22.0560 22.0660 22.3822 22.3913 24.9968 25.0136 25.0710 25.0884 k = 0.0228 0.0395-0.0000 ( 823 PWs) bands (ev): -41.3548 -41.3548 -16.8018 -16.8017 -14.2888 -14.2888 -14.2359 -14.2358 6.4253 6.4254 15.6672 15.6673 16.3745 16.3793 16.4973 16.5024 20.0126 20.0133 22.0584 22.0664 22.3063 22.3136 25.0285 25.0403 25.0910 25.1031 k = 0.0183 0.0316-0.0000 ( 831 PWs) bands (ev): -41.3558 -41.3558 -16.8003 -16.8003 -14.2880 -14.2880 -14.2327 -14.2326 6.4121 6.4121 15.6647 15.6647 16.3847 16.3877 16.4909 16.4940 20.0783 20.0786 22.0576 22.0632 22.2430 22.2483 25.0542 25.0612 25.1085 25.1157 k = 0.0137 0.0237-0.0000 ( 827 PWs) bands (ev): -41.3562 -41.3562 -16.7990 -16.7990 -14.2874 -14.2874 -14.2300 -14.2300 6.4018 6.4018 15.6624 15.6624 16.3911 16.3925 16.4880 16.4895 20.1327 20.1328 22.0523 22.0555 22.1958 22.1988 25.0737 25.0770 25.1230 25.1264 k = 0.0091 0.0158-0.0000 ( 827 PWs) bands (ev): -41.3565 -41.3565 -16.7981 -16.7981 -14.2869 -14.2869 -14.2281 -14.2281 6.3944 6.3944 15.6605 15.6605 16.3943 16.3948 16.4875 16.4879 20.1736 20.1736 22.0427 22.0438 22.1661 22.1671 25.0869 25.0880 25.1337 25.1348 k = 0.0046 0.0079-0.0000 ( 827 PWs) bands (ev): -41.3567 -41.3567 -16.7976 -16.7976 -14.2867 -14.2867 -14.2269 -14.2269 6.3900 6.3900 15.6593 15.6593 16.3955 16.3956 16.4877 16.4878 20.1991 20.1991 22.0327 22.0329 22.1512 22.1514 25.0944 25.0946 25.1402 25.1403 k = 0.0000 0.0000 0.0000 ( 827 PWs) bands (ev): -41.3568 -41.3568 -16.7974 -16.7974 -14.2866 -14.2866 -14.2265 -14.2265 6.3885 6.3885 15.6589 15.6589 16.3958 16.3958 16.4879 16.4879 20.2078 20.2078 22.0285 22.0285 22.1469 22.1469 25.0968 25.0968 25.1423 25.1423 k = 0.0000 0.0000 0.0000 ( 827 PWs) bands (ev): -41.3568 -41.3568 -16.7974 -16.7974 -14.2866 -14.2866 -14.2265 -14.2265 6.3885 6.3885 15.6589 15.6589 16.3958 16.3958 16.4879 16.4879 20.2078 20.2078 22.0285 22.0285 22.1469 22.1469 25.0968 25.0968 25.1423 25.1423 k = 0.0000 0.0000 0.0092 ( 827 PWs) bands (ev): -41.3568 -41.3568 -16.7976 -16.7976 -14.2871 -14.2871 -14.2265 -14.2265 6.3903 6.3903 15.6587 15.6587 16.3956 16.3976 16.4888 16.4888 20.2069 20.2069 22.0232 22.0232 22.1350 22.1476 25.0932 25.1064 25.1451 25.1451 k = 0.0000 0.0000 0.0184 ( 827 PWs) bands (ev): -41.3565 -41.3565 -16.7981 -16.7981 -14.2886 -14.2886 -14.2262 -14.2262 6.3958 6.3958 15.6579 15.6579 16.3972 16.4011 16.4913 16.4913 20.2044 20.2044 22.0075 22.0075 22.1122 22.1371 25.0957 25.1217 25.1534 25.1534 k = 0.0000 0.0000 0.0276 ( 828 PWs) bands (ev): -41.3562 -41.3562 -16.7990 -16.7990 -14.2910 -14.2910 -14.2259 -14.2259 6.4049 6.4049 15.6566 15.6566 16.4004 16.4063 16.4954 16.4954 20.2002 20.2002 21.9818 21.9818 22.0789 22.1157 25.1039 25.1422 25.1668 25.1668 k = 0.0000 0.0000 0.0368 ( 828 PWs) bands (ev): -41.3557 -41.3557 -16.8003 -16.8003 -14.2944 -14.2944 -14.2254 -14.2254 6.4176 6.4176 15.6547 15.6547 16.4053 16.4132 16.5013 16.5013 20.1947 20.1947 21.9463 21.9463 22.0359 22.0839 25.1173 25.1673 25.1849 25.1849 k = 0.0000 0.0000 0.0461 ( 828 PWs) bands (ev): -41.3551 -41.3551 -16.8019 -16.8019 -14.2987 -14.2987 -14.2248 -14.2248 6.4339 6.4339 15.6519 15.6519 16.4118 16.4218 16.5087 16.5087 20.1880 20.1880 21.9020 21.9020 21.9838 22.0423 25.1353 25.1961 25.2068 25.2068 k = 0.0000 0.0000 0.0553 ( 834 PWs) bands (ev): -41.3546 -41.3546 -16.8040 -16.8040 -14.3040 -14.3040 -14.2242 -14.2242 6.4537 6.4537 15.6482 15.6482 16.4200 16.4320 16.5178 16.5178 20.1804 20.1804 21.8494 21.8494 21.9235 21.9916 25.1570 25.2277 25.2318 25.2318 k = 0.0000 0.0000 0.0645 ( 840 PWs) bands (ev): -41.3539 -41.3539 -16.8065 -16.8065 -14.3103 -14.3103 -14.2233 -14.2233 6.4771 6.4771 15.6432 15.6432 16.4298 16.4439 16.5286 16.5286 20.1724 20.1724 21.7894 21.7894 21.8559 21.9328 25.1814 25.2590 25.2590 25.2611 k = 0.0000 0.0000 0.0737 ( 828 PWs) bands (ev): -41.3524 -41.3524 -16.8090 -16.8090 -14.3171 -14.3171 -14.2222 -14.2222 6.5041 6.5041 15.6368 15.6368 16.4413 16.4574 16.5409 16.5409 20.1644 20.1644 21.7228 21.7228 21.7819 21.8668 25.2078 25.2875 25.2875 25.2954 k = 0.0000 0.0000 0.0829 ( 828 PWs) bands (ev): -41.3513 -41.3513 -16.8121 -16.8121 -14.3249 -14.3249 -14.2211 -14.2211 6.5344 6.5344 15.6286 15.6286 16.4543 16.4726 16.5548 16.5548 20.1567 20.1567 21.6505 21.6505 21.7024 21.7944 25.2350 25.3165 25.3165 25.3297 k = 0.0000 0.0000 0.0921 ( 828 PWs) bands (ev): -41.3500 -41.3500 -16.8155 -16.8155 -14.3335 -14.3335 -14.2198 -14.2198 6.5681 6.5681 15.6185 15.6185 16.4689 16.4893 16.5703 16.5703 20.1498 20.1498 21.5733 21.5733 21.6181 21.7166 25.2621 25.3449 25.3449 25.3630 k = 0.0000 0.0000 0.1013 ( 822 PWs) bands (ev): -41.3484 -41.3484 -16.8192 -16.8192 -14.3427 -14.3427 -14.2184 -14.2184 6.6052 6.6052 15.6059 15.6059 16.4850 16.5077 16.5873 16.5873 20.1444 20.1444 21.4918 21.4918 21.5298 21.6342 25.2883 25.3721 25.3721 25.3945 k = 0.0000 0.0000 0.1105 ( 822 PWs) bands (ev): -41.3469 -41.3469 -16.8233 -16.8233 -14.3528 -14.3528 -14.2169 -14.2169 6.6456 6.6456 15.5907 15.5907 16.5027 16.5276 16.6058 16.6058 20.1410 20.1410 21.4069 21.4069 21.4383 21.5479 25.3128 25.3973 25.3973 25.4236 k = 0.0000 0.0000 0.1197 ( 822 PWs) bands (ev): -41.3453 -41.3453 -16.8278 -16.8278 -14.3634 -14.3634 -14.2154 -14.2154 6.6892 6.6892 15.5724 15.5724 16.5218 16.5490 16.6257 16.6257 20.1401 20.1401 21.3193 21.3193 21.3441 21.4584 25.3349 25.4197 25.4197 25.4496 k = 0.0000 0.0000 0.1290 ( 822 PWs) bands (ev): -41.3436 -41.3436 -16.8326 -16.8326 -14.3747 -14.3747 -14.2137 -14.2137 6.7359 6.7359 15.5507 15.5507 16.5424 16.5719 16.6471 16.6471 20.1422 20.1422 21.2294 21.2294 21.2478 21.3665 25.3539 25.4389 25.4389 25.4719 k = 0.0000 0.0000 0.1382 ( 828 PWs) bands (ev): -41.3420 -41.3420 -16.8378 -16.8378 -14.3867 -14.3867 -14.2120 -14.2120 6.7857 6.7857 15.5254 15.5254 16.5643 16.5962 16.6698 16.6698 20.1478 20.1478 21.1380 21.1380 21.1500 21.2726 25.3694 25.4543 25.4543 25.4900 k = 0.0000 0.0000 0.1474 ( 828 PWs) bands (ev): -41.3401 -41.3401 -16.8433 -16.8433 -14.3990 -14.3990 -14.2101 -14.2101 6.8385 6.8385 15.4960 15.4960 16.5876 16.6220 16.6939 16.6939 20.1574 20.1574 21.0455 21.0455 21.0511 21.1773 25.3809 25.4654 25.4654 25.5036 k = 0.0000 0.0000 0.1566 ( 828 PWs) bands (ev): -41.3380 -41.3380 -16.8491 -16.8491 -14.4118 -14.4118 -14.2082 -14.2082 6.8942 6.8942 15.4624 15.4624 16.6123 16.6492 16.7193 16.7193 20.1714 20.1714 20.9515 20.9525 20.9525 21.0812 25.3881 25.4720 25.4720 25.5125 k = 0.0000 0.0000 0.1658 ( 828 PWs) bands (ev): -41.3360 -41.3360 -16.8552 -16.8552 -14.4249 -14.4249 -14.2062 -14.2062 6.9528 6.9528 15.4243 15.4243 16.6382 16.6777 16.7458 16.7458 20.1901 20.1901 20.8516 20.8595 20.8595 20.9845 25.3907 25.4739 25.4739 25.5162 k = 0.0000 0.0000 0.1750 ( 828 PWs) bands (ev): -41.3338 -41.3338 -16.8616 -16.8616 -14.4384 -14.4384 -14.2041 -14.2041 7.0141 7.0141 15.3816 15.3816 16.6653 16.7074 16.7736 16.7736 20.2136 20.2136 20.7519 20.7672 20.7672 20.8878 25.3885 25.4707 25.4707 25.5148 k = 0.0000 0.0000 0.1842 ( 828 PWs) bands (ev): -41.3316 -41.3316 -16.8683 -16.8683 -14.4521 -14.4521 -14.2019 -14.2019 7.0780 7.0780 15.3340 15.3340 16.6935 16.7384 16.8024 16.8024 20.2415 20.2415 20.6525 20.6764 20.6764 20.7913 25.3815 25.4625 25.4625 25.5082 k = 0.0000 0.0000 0.1934 ( 828 PWs) bands (ev): -41.3293 -41.3293 -16.8753 -16.8753 -14.4660 -14.4660 -14.1997 -14.1997 7.1445 7.1445 15.2816 15.2816 16.7228 16.7706 16.8322 16.8322 20.2727 20.2727 20.5538 20.5890 20.5890 20.6954 25.3696 25.4492 25.4492 25.4964 k = 0.0000 0.0000 0.2027 ( 816 PWs) bands (ev): -41.3265 -41.3265 -16.8823 -16.8823 -14.4799 -14.4799 -14.1974 -14.1974 7.2135 7.2135 15.2243 15.2243 16.7532 16.8038 16.8630 16.8630 20.3024 20.3024 20.4561 20.5102 20.5102 20.6003 25.3529 25.4309 25.4309 25.4793 k = 0.0000 0.0000 0.2119 ( 816 PWs) bands (ev): -41.3241 -41.3241 -16.8898 -16.8898 -14.4941 -14.4941 -14.1951 -14.1951 7.2849 7.2849 15.1622 15.1622 16.7844 16.8381 16.8946 16.8946 20.3100 20.3100 20.3596 20.4607 20.4607 20.5064 25.3314 25.4076 25.4076 25.4573 k = 0.0000 0.0000 0.2211 ( 816 PWs) bands (ev): -41.3216 -41.3216 -16.8975 -16.8975 -14.5084 -14.5084 -14.1927 -14.1927 7.3585 7.3585 15.0954 15.0954 16.8165 16.8732 16.9270 16.9270 20.2645 20.2651 20.2651 20.4138 20.4713 20.4713 25.3054 25.3795 25.3795 25.4304 k = 0.0000 0.0000 0.2303 ( 828 PWs) bands (ev): -41.3196 -41.3196 -16.9055 -16.9055 -14.5228 -14.5228 -14.1905 -14.1905 7.4343 7.4343 15.0239 15.0239 16.8494 16.9093 16.9600 16.9600 20.1710 20.1919 20.1919 20.3229 20.5179 20.5179 25.2749 25.3469 25.3469 25.3988 k = 0.0000 0.0000 0.2395 ( 828 PWs) bands (ev): -41.3171 -41.3171 -16.9136 -16.9136 -14.5370 -14.5370 -14.1881 -14.1881 7.5122 7.5122 14.9481 14.9481 16.8830 16.9461 16.9936 16.9936 20.0794 20.1124 20.1124 20.2337 20.5787 20.5787 25.2403 25.3099 25.3099 25.3628 k = 0.0000 0.0000 0.2487 ( 828 PWs) bands (ev): -41.3146 -41.3146 -16.9219 -16.9219 -14.5511 -14.5511 -14.1857 -14.1857 7.5920 7.5920 14.8680 14.8680 16.9172 16.9835 17.0276 17.0276 19.9898 20.0322 20.0322 20.1464 20.6478 20.6478 25.2019 25.2689 25.2689 25.3228 k = 0.0000 0.0000 0.2579 ( 828 PWs) bands (ev): -41.3121 -41.3121 -16.9303 -16.9303 -14.5650 -14.5650 -14.1833 -14.1833 7.6737 7.6737 14.7841 14.7841 16.9518 17.0215 17.0619 17.0619 19.9024 19.9532 19.9532 20.0613 20.7235 20.7235 25.1598 25.2241 25.2241 25.2790 k = 0.0000 0.0000 0.2671 ( 828 PWs) bands (ev): -41.3096 -41.3096 -16.9388 -16.9388 -14.5788 -14.5788 -14.1808 -14.1808 7.7570 7.7570 14.6965 14.6965 16.9869 17.0600 17.0963 17.0963 19.8173 19.8762 19.8762 19.9785 20.8047 20.8047 25.1146 25.1760 25.1760 25.2318 k = 0.0000 0.0000 0.2763 ( 828 PWs) bands (ev): -41.3071 -41.3071 -16.9473 -16.9473 -14.5923 -14.5923 -14.1784 -14.1784 7.8420 7.8420 14.6055 14.6055 17.0222 17.0987 17.1308 17.1308 19.7348 19.8015 19.8015 19.8982 20.8910 20.8910 25.0664 25.1247 25.1247 25.1815 k = 0.0000 0.0000 0.2856 ( 828 PWs) bands (ev): -41.3046 -41.3046 -16.9560 -16.9560 -14.6056 -14.6056 -14.1760 -14.1760 7.9285 7.9285 14.5115 14.5115 17.0576 17.1376 17.1651 17.1651 19.6550 19.7295 19.7295 19.8204 20.9818 20.9818 25.0158 25.0709 25.0709 25.1285 k = 0.0000 0.0000 0.2948 ( 828 PWs) bands (ev): -41.3021 -41.3021 -16.9647 -16.9647 -14.6185 -14.6185 -14.1736 -14.1736 8.0163 8.0163 14.4149 14.4149 17.0931 17.1766 17.1992 17.1992 19.5779 19.6604 19.6604 19.7453 21.0764 21.0764 24.9630 25.0147 25.0147 25.0732 k = 0.0000 0.0000 0.3040 ( 828 PWs) bands (ev): -41.2996 -41.2996 -16.9733 -16.9733 -14.6311 -14.6311 -14.1712 -14.1712 8.1052 8.1052 14.3158 14.3158 17.1285 17.2154 17.2328 17.2328 19.5039 19.5944 19.5944 19.6730 21.1745 21.1745 24.9085 24.9566 24.9566 25.0160 k = 0.0000 0.0000 0.3132 ( 828 PWs) bands (ev): -41.2972 -41.2972 -16.9819 -16.9819 -14.6433 -14.6433 -14.1689 -14.1689 8.1952 8.1952 14.2148 14.2148 17.1636 17.2539 17.2657 17.2657 19.4329 19.5317 19.5317 19.6036 21.2754 21.2754 24.8526 24.8971 24.8971 24.9572 k = 0.0000 0.0000 0.3224 ( 828 PWs) bands (ev): -41.2949 -41.2949 -16.9905 -16.9905 -14.6551 -14.6551 -14.1666 -14.1666 8.2861 8.2861 14.1121 14.1121 17.1984 17.2919 17.2978 17.2978 19.3652 19.4724 19.4724 19.5371 21.3786 21.3786 24.7957 24.8364 24.8364 24.8973 k = 0.0000 0.0000 0.3316 ( 828 PWs) bands (ev): -41.2925 -41.2925 -16.9990 -16.9990 -14.6665 -14.6665 -14.1644 -14.1644 8.3777 8.3777 14.0080 14.0080 17.2327 17.3290 17.3290 17.3292 19.3008 19.4166 19.4166 19.4738 21.4835 21.4835 24.7383 24.7750 24.7750 24.8367 k = 0.0000 0.0000 0.3408 ( 828 PWs) bands (ev): -41.2903 -41.2903 -17.0073 -17.0073 -14.6774 -14.6774 -14.1622 -14.1622 8.4698 8.4698 13.9031 13.9031 17.2663 17.3590 17.3590 17.3656 19.2400 19.3645 19.3645 19.4135 21.5895 21.5895 24.6806 24.7134 24.7134 24.7757 k = 0.0000 0.0000 0.3500 ( 828 PWs) bands (ev): -41.2881 -41.2881 -17.0154 -17.0154 -14.6879 -14.6879 -14.1601 -14.1601 8.5622 8.5622 13.7976 13.7976 17.2991 17.3876 17.3876 17.4009 19.1828 19.3162 19.3162 19.3564 21.6961 21.6961 24.6232 24.6519 24.6519 24.7148 k = 0.0000 0.0000 0.3592 ( 828 PWs) bands (ev): -41.2860 -41.2860 -17.0234 -17.0234 -14.6979 -14.6979 -14.1580 -14.1580 8.6546 8.6546 13.6919 13.6919 17.3311 17.4148 17.4148 17.4349 19.1294 19.2716 19.2716 19.3025 21.8024 21.8024 24.5664 24.5909 24.5909 24.6543 k = 0.0000 0.0000 0.3685 ( 834 PWs) bands (ev): -41.2842 -41.2842 -17.0312 -17.0312 -14.7074 -14.7074 -14.1561 -14.1561 8.7468 8.7468 13.5865 13.5865 17.3620 17.4403 17.4403 17.4673 19.0799 19.2309 19.2309 19.2517 21.9079 21.9079 24.5105 24.5308 24.5308 24.5946 k = 0.0000 0.0000 0.3777 ( 828 PWs) bands (ev): -41.2820 -41.2820 -17.0386 -17.0386 -14.7163 -14.7163 -14.1541 -14.1541 8.8385 8.8385 13.4818 13.4818 17.3918 17.4640 17.4640 17.4979 19.0344 19.1940 19.1940 19.2042 22.0120 22.0120 24.4560 24.4720 24.4720 24.5361 k = 0.0000 0.0000 0.3869 ( 828 PWs) bands (ev): -41.2802 -41.2802 -17.0457 -17.0457 -14.7247 -14.7247 -14.1523 -14.1523 8.9293 8.9293 13.3782 13.3782 17.4203 17.4858 17.4858 17.5266 18.9930 19.1598 19.1609 19.1609 22.1138 22.1138 24.4032 24.4148 24.4148 24.4791 k = 0.0000 0.0000 0.3961 ( 828 PWs) bands (ev): -41.2785 -41.2785 -17.0525 -17.0525 -14.7326 -14.7326 -14.1506 -14.1506 9.0188 9.0188 13.2764 13.2764 17.4475 17.5057 17.5057 17.5530 18.9558 19.1186 19.1316 19.1316 22.2127 22.2127 24.3525 24.3597 24.3597 24.4240 k = 0.0000 0.0000 0.4053 ( 828 PWs) bands (ev): -41.2768 -41.2768 -17.0589 -17.0589 -14.7399 -14.7399 -14.1491 -14.1491 9.1066 9.1066 13.1767 13.1767 17.4732 17.5237 17.5237 17.5770 18.9228 19.0804 19.1058 19.1058 22.3080 22.3080 24.3042 24.3070 24.3070 24.3712 k = 0.0000 0.0000 0.4145 ( 828 PWs) bands (ev): -41.2753 -41.2753 -17.0650 -17.0650 -14.7466 -14.7466 -14.1476 -14.1476 9.1922 9.1922 13.0799 13.0799 17.4975 17.5396 17.5396 17.5984 18.8940 19.0452 19.0834 19.0834 22.3989 22.3989 24.2571 24.2571 24.2587 24.3209 k = 0.0000 0.0000 0.4237 ( 816 PWs) bands (ev): -41.2734 -41.2734 -17.0704 -17.0704 -14.7526 -14.7526 -14.1461 -14.1461 9.2750 9.2750 12.9867 12.9867 17.5202 17.5536 17.5536 17.6172 18.8695 19.0129 19.0643 19.0643 22.4848 22.4848 24.2103 24.2103 24.2162 24.2735 k = 0.0000 0.0000 0.4329 ( 816 PWs) bands (ev): -41.2721 -41.2721 -17.0755 -17.0755 -14.7582 -14.7582 -14.1449 -14.1449 9.3542 9.3542 12.8977 12.8977 17.5414 17.5657 17.5657 17.6332 18.8492 18.9833 19.0482 19.0482 22.5649 22.5649 24.1668 24.1668 24.1771 24.2292 k = 0.0000 0.0000 0.4422 ( 816 PWs) bands (ev): -41.2709 -41.2709 -17.0802 -17.0802 -14.7632 -14.7632 -14.1437 -14.1437 9.4291 9.4291 12.8138 12.8138 17.5610 17.5761 17.5761 17.6464 18.8328 18.9564 19.0349 19.0349 22.6386 22.6386 24.1271 24.1271 24.1416 24.1885 k = 0.0000 0.0000 0.4514 ( 816 PWs) bands (ev): -41.2699 -41.2699 -17.0844 -17.0844 -14.7676 -14.7676 -14.1427 -14.1427 9.4989 9.4989 12.7361 12.7361 17.5790 17.5847 17.5847 17.6568 18.8203 18.9319 19.0239 19.0239 22.7053 22.7053 24.0914 24.0914 24.1100 24.1514 k = 0.0000 0.0000 0.4606 ( 816 PWs) bands (ev): -41.2690 -41.2690 -17.0881 -17.0881 -14.7714 -14.7714 -14.1418 -14.1418 9.5625 9.5625 12.6654 12.6654 17.5919 17.5919 17.5955 17.6645 18.8114 18.9098 19.0152 19.0152 22.7643 22.7643 24.0600 24.0600 24.0826 24.1184 k = 0.0000 0.0000 0.4698 ( 810 PWs) bands (ev): -41.2680 -41.2680 -17.0911 -17.0911 -14.7746 -14.7746 -14.1410 -14.1410 9.6190 9.6190 12.6029 12.6029 17.5976 17.5976 17.6105 17.6697 18.8060 18.8899 19.0084 19.0084 22.8152 22.8152 24.0330 24.0330 24.0595 24.0896 k = 0.0000 0.0000 0.4790 ( 816 PWs) bands (ev): -41.2676 -41.2676 -17.0938 -17.0938 -14.7774 -14.7774 -14.1404 -14.1404 9.6671 9.6671 12.5498 12.5498 17.6021 17.6021 17.6239 17.6724 18.8036 18.8720 19.0032 19.0032 22.8575 22.8575 24.0107 24.0107 24.0409 24.0651 k = 0.0000 0.0000 0.4882 ( 816 PWs) bands (ev): -41.2671 -41.2671 -17.0959 -17.0959 -14.7795 -14.7795 -14.1399 -14.1399 9.7059 9.7059 12.5070 12.5070 17.6055 17.6055 17.6358 17.6728 18.8042 18.8563 18.9994 18.9994 22.8908 22.8908 23.9932 23.9932 24.0270 24.0452 k = 0.0000 0.0000 0.4974 ( 816 PWs) bands (ev): -41.2667 -41.2667 -17.0973 -17.0973 -14.7810 -14.7810 -14.1396 -14.1396 9.7345 9.7345 12.4757 12.4757 17.6078 17.6078 17.6461 17.6712 18.8074 18.8424 18.9968 18.9968 22.9148 22.9148 23.9806 23.9806 24.0179 24.0301 k = 0.0000 0.0000 0.5066 ( 816 PWs) bands (ev): -41.2665 -41.2665 -17.0982 -17.0982 -14.7818 -14.7818 -14.1394 -14.1394 9.7520 9.7520 12.4565 12.4565 17.6091 17.6091 17.6549 17.6675 18.8129 18.8306 18.9954 18.9954 22.9293 22.9293 23.9730 23.9730 24.0136 24.0197 k = 0.0000 0.0000 0.5158 ( 816 PWs) bands (ev): -41.2664 -41.2664 -17.0985 -17.0985 -14.7821 -14.7821 -14.1393 -14.1393 9.7579 9.7579 12.4500 12.4500 17.6096 17.6096 17.6621 17.6621 18.8207 18.8207 18.9949 18.9949 22.9341 22.9341 23.9704 23.9704 24.0142 24.0142 k = 0.0000 0.0000 0.5158 ( 816 PWs) bands (ev): -41.2664 -41.2664 -17.0985 -17.0985 -14.7821 -14.7821 -14.1393 -14.1393 9.7579 9.7579 12.4500 12.4500 17.6096 17.6096 17.6621 17.6621 18.8207 18.8207 18.9949 18.9949 22.9341 22.9341 23.9704 23.9704 24.0142 24.0142 k = 0.0079 0.0046 0.5158 ( 816 PWs) bands (ev): -41.2663 -41.2663 -17.0986 -17.0986 -14.7823 -14.7823 -14.1397 -14.1397 9.7572 9.7572 12.4519 12.4519 17.6082 17.6082 17.6606 17.6606 18.8204 18.8204 18.9946 18.9946 22.9360 22.9360 23.9717 23.9717 24.0156 24.0156 k = 0.0159 0.0092 0.5158 ( 816 PWs) bands (ev): -41.2661 -41.2661 -17.0988 -17.0988 -14.7826 -14.7826 -14.1407 -14.1407 9.7551 9.7551 12.4573 12.4573 17.6038 17.6038 17.6564 17.6564 18.8192 18.8192 18.9941 18.9941 22.9415 22.9415 23.9747 23.9747 24.0208 24.0208 k = 0.0238 0.0137 0.5158 ( 816 PWs) bands (ev): -41.2658 -41.2658 -17.0991 -17.0991 -14.7832 -14.7832 -14.1425 -14.1425 9.7517 9.7517 12.4664 12.4664 17.5963 17.5963 17.6496 17.6496 18.8162 18.8162 18.9943 18.9943 22.9507 22.9507 23.9774 23.9774 24.0317 24.0317 k = 0.0317 0.0183 0.5158 ( 812 PWs) bands (ev): -41.2651 -41.2651 -17.0996 -17.0996 -14.7839 -14.7839 -14.1449 -14.1449 9.7469 9.7469 12.4791 12.4791 17.5853 17.5853 17.6408 17.6408 18.8102 18.8102 18.9966 18.9966 22.9634 22.9634 23.9782 23.9782 24.0500 24.0500 k = 0.0397 0.0229 0.5158 ( 816 PWs) bands (ev): -41.2646 -41.2646 -17.1003 -17.1003 -14.7850 -14.7850 -14.1482 -14.1482 9.7407 9.7407 12.4954 12.4954 17.5705 17.5705 17.6302 17.6302 18.7998 18.7998 19.0027 19.0027 22.9793 22.9793 23.9772 23.9772 24.0756 24.0756 k = 0.0476 0.0275 0.5158 ( 820 PWs) bands (ev): -41.2640 -41.2640 -17.1011 -17.1011 -14.7863 -14.7863 -14.1521 -14.1521 9.7332 9.7332 12.5151 12.5151 17.5516 17.5516 17.6183 17.6183 18.7843 18.7843 19.0136 19.0136 22.9984 22.9984 23.9749 23.9749 24.1079 24.1079 k = 0.0556 0.0321 0.5158 ( 816 PWs) bands (ev): -41.2630 -41.2630 -17.1019 -17.1019 -14.7878 -14.7878 -14.1566 -14.1566 9.7245 9.7245 12.5382 12.5382 17.5288 17.5288 17.6051 17.6051 18.7633 18.7633 19.0298 19.0298 23.0203 23.0203 23.9718 23.9718 24.1465 24.1465 k = 0.0635 0.0367 0.5158 ( 816 PWs) bands (ev): -41.2619 -41.2619 -17.1030 -17.1030 -14.7895 -14.7895 -14.1617 -14.1617 9.7144 9.7144 12.5646 12.5646 17.5020 17.5020 17.5908 17.5908 18.7374 18.7374 19.0513 19.0513 23.0449 23.0449 23.9685 23.9685 24.1909 24.1909 k = 0.0714 0.0412 0.5158 ( 816 PWs) bands (ev): -41.2607 -41.2607 -17.1042 -17.1042 -14.7914 -14.7914 -14.1675 -14.1675 9.7032 9.7032 12.5942 12.5942 17.4716 17.4716 17.5751 17.5751 18.7072 18.7072 19.0777 19.0777 23.0718 23.0718 23.9652 23.9652 24.2407 24.2407 k = 0.0794 0.0458 0.5158 ( 816 PWs) bands (ev): -41.2594 -41.2594 -17.1056 -17.1056 -14.7936 -14.7936 -14.1739 -14.1739 9.6907 9.6907 12.6269 12.6269 17.4380 17.4380 17.5579 17.5579 18.6735 18.6735 19.1088 19.1088 23.1008 23.1008 23.9623 23.9623 24.2956 24.2956 k = 0.0873 0.0504 0.5158 ( 814 PWs) bands (ev): -41.2579 -41.2579 -17.1070 -17.1070 -14.7959 -14.7959 -14.1808 -14.1808 9.6771 9.6771 12.6625 12.6625 17.4013 17.4013 17.5392 17.5392 18.6370 18.6370 19.1443 19.1443 23.1316 23.1316 23.9601 23.9601 24.3554 24.3554 k = 0.0952 0.0550 0.5158 ( 814 PWs) bands (ev): -41.2563 -41.2563 -17.1087 -17.1087 -14.7985 -14.7985 -14.1883 -14.1883 9.6623 9.6623 12.7009 12.7009 17.3619 17.3619 17.5190 17.5190 18.5984 18.5984 19.1838 19.1838 23.1639 23.1639 23.9588 23.9588 24.4196 24.4196 k = 0.1032 0.0596 0.5158 ( 818 PWs) bands (ev): -41.2548 -41.2548 -17.1106 -17.1106 -14.8014 -14.8014 -14.1963 -14.1963 9.6465 9.6465 12.7419 12.7419 17.3201 17.3201 17.4970 17.4970 18.5583 18.5583 19.2273 19.2273 23.1974 23.1974 23.9587 23.9587 24.4882 24.4882 k = 0.1111 0.0642 0.5158 ( 818 PWs) bands (ev): -41.2530 -41.2530 -17.1125 -17.1125 -14.8044 -14.8044 -14.2047 -14.2047 9.6297 9.6297 12.7853 12.7853 17.2761 17.2761 17.4734 17.4734 18.5173 18.5173 19.2745 19.2745 23.2319 23.2319 23.9601 23.9601 24.5606 24.5606 k = 0.1190 0.0687 0.5158 ( 818 PWs) bands (ev): -41.2511 -41.2511 -17.1146 -17.1146 -14.8076 -14.8076 -14.2136 -14.2136 9.6119 9.6119 12.8309 12.8309 17.2302 17.2302 17.4480 17.4480 18.4760 18.4760 19.3254 19.3254 23.2672 23.2672 23.9632 23.9632 24.6367 24.6367 k = 0.1270 0.0733 0.5158 ( 818 PWs) bands (ev): -41.2491 -41.2491 -17.1169 -17.1169 -14.8111 -14.8111 -14.2229 -14.2229 9.5932 9.5932 12.8785 12.8785 17.1825 17.1825 17.4210 17.4210 18.4349 18.4349 19.3797 19.3797 23.3030 23.3030 23.9682 23.9682 24.7162 24.7162 k = 0.1349 0.0779 0.5158 ( 822 PWs) bands (ev): -41.2471 -41.2471 -17.1194 -17.1194 -14.8148 -14.8148 -14.2325 -14.2325 9.5736 9.5736 12.9278 12.9278 17.1334 17.1334 17.3922 17.3922 18.3946 18.3946 19.4375 19.4375 23.3392 23.3392 23.9754 23.9754 24.7987 24.7987 k = 0.1429 0.0825 0.5158 ( 818 PWs) bands (ev): -41.2448 -41.2448 -17.1219 -17.1219 -14.8186 -14.8186 -14.2423 -14.2423 9.5532 9.5532 12.9785 12.9785 17.0831 17.0831 17.3618 17.3618 18.3556 18.3556 19.4986 19.4986 23.3755 23.3755 23.9849 23.9849 24.8841 24.8841 k = 0.1508 0.0871 0.5158 ( 818 PWs) bands (ev): -41.2425 -41.2425 -17.1246 -17.1246 -14.8227 -14.8227 -14.2526 -14.2526 9.5321 9.5321 13.0305 13.0305 17.0317 17.0317 17.3298 17.3298 18.3184 18.3184 19.5630 19.5630 23.4118 23.4118 23.9969 23.9969 24.9719 24.9719 k = 0.1587 0.0916 0.5158 ( 816 PWs) bands (ev): -41.2400 -41.2400 -17.1274 -17.1274 -14.8269 -14.8269 -14.2630 -14.2630 9.5104 9.5104 13.0832 13.0832 16.9795 16.9795 17.2961 17.2961 18.2835 18.2835 19.6305 19.6305 23.4480 23.4480 24.0114 24.0114 25.0620 25.0620 k = 0.1667 0.0962 0.5158 ( 814 PWs) bands (ev): -41.2375 -41.2375 -17.1304 -17.1304 -14.8313 -14.8313 -14.2736 -14.2736 9.4880 9.4880 13.1365 13.1365 16.9267 16.9267 17.2610 17.2610 18.2515 18.2515 19.7010 19.7010 23.4838 23.4838 24.0287 24.0287 25.1540 25.1540 k = 0.1746 0.1008 0.5158 ( 818 PWs) bands (ev): -41.2351 -41.2351 -17.1336 -17.1336 -14.8359 -14.8359 -14.2844 -14.2844 9.4650 9.4650 13.1900 13.1900 16.8733 16.8733 17.2245 17.2245 18.2227 18.2227 19.7745 19.7745 23.5193 23.5193 24.0487 24.0487 25.2478 25.2478 k = 0.1825 0.1054 0.5158 ( 818 PWs) bands (ev): -41.2325 -41.2325 -17.1369 -17.1369 -14.8408 -14.8408 -14.2953 -14.2953 9.4415 9.4415 13.2433 13.2433 16.8197 16.8197 17.1866 17.1866 18.1977 18.1977 19.8509 19.8509 23.5542 23.5542 24.0716 24.0716 25.3430 25.3430 k = 0.1905 0.1100 0.5158 ( 818 PWs) bands (ev): -41.2298 -41.2298 -17.1404 -17.1404 -14.8457 -14.8457 -14.3062 -14.3062 9.4177 9.4177 13.2961 13.2961 16.7659 16.7659 17.1474 17.1474 18.1769 18.1769 19.9301 19.9301 23.5885 23.5885 24.0973 24.0973 25.4394 25.4394 k = 0.1984 0.1146 0.5158 ( 818 PWs) bands (ev): -41.2271 -41.2271 -17.1440 -17.1440 -14.8509 -14.8509 -14.3172 -14.3172 9.3934 9.3934 13.3481 13.3481 16.7121 16.7121 17.1071 17.1071 18.1607 18.1607 20.0119 20.0119 23.6220 23.6220 24.1259 24.1259 25.5367 25.5367 k = 0.2063 0.1191 0.5158 ( 818 PWs) bands (ev): -41.2243 -41.2243 -17.1477 -17.1477 -14.8562 -14.8562 -14.3281 -14.3281 9.3689 9.3689 13.3988 13.3988 16.6585 16.6585 17.0658 17.0658 18.1497 18.1497 20.0962 20.0962 23.6548 23.6548 24.1573 24.1573 25.6347 25.6347 k = 0.2143 0.1237 0.5158 ( 818 PWs) bands (ev): -41.2215 -41.2215 -17.1516 -17.1516 -14.8617 -14.8617 -14.3390 -14.3390 9.3441 9.3441 13.4479 13.4479 16.6051 16.6051 17.0236 17.0236 18.1442 18.1442 20.1830 20.1830 23.6867 23.6867 24.1915 24.1915 25.7332 25.7332 k = 0.2222 0.1283 0.5158 ( 818 PWs) bands (ev): -41.2187 -41.2187 -17.1555 -17.1555 -14.8673 -14.8673 -14.3497 -14.3497 9.3192 9.3192 13.4951 13.4951 16.5521 16.5521 16.9806 16.9806 18.1446 18.1446 20.2721 20.2721 23.7177 23.7177 24.2285 24.2285 25.8320 25.8320 k = 0.2302 0.1329 0.5158 ( 818 PWs) bands (ev): -41.2158 -41.2158 -17.1596 -17.1596 -14.8731 -14.8731 -14.3604 -14.3604 9.2941 9.2941 13.5400 13.5400 16.4997 16.4997 16.9370 16.9370 18.1511 18.1511 20.3634 20.3634 23.7475 23.7475 24.2682 24.2682 25.9307 25.9307 k = 0.2381 0.1375 0.5158 ( 818 PWs) bands (ev): -41.2129 -41.2129 -17.1638 -17.1638 -14.8790 -14.8790 -14.3708 -14.3708 9.2690 9.2690 13.5823 13.5823 16.4478 16.4478 16.8929 16.8929 18.1641 18.1641 20.4566 20.4566 23.7763 23.7763 24.3104 24.3104 26.0292 26.0292 k = 0.2460 0.1420 0.5158 ( 818 PWs) bands (ev): -41.2100 -41.2100 -17.1681 -17.1681 -14.8849 -14.8849 -14.3811 -14.3811 9.2439 9.2439 13.6218 13.6218 16.3967 16.3967 16.8484 16.8484 18.1838 18.1838 20.5518 20.5518 23.8038 23.8038 24.3552 24.3552 26.1274 26.1274 k = 0.2540 0.1466 0.5158 ( 822 PWs) bands (ev): -41.2073 -41.2073 -17.1725 -17.1725 -14.8911 -14.8911 -14.3912 -14.3912 9.2189 9.2189 13.6583 13.6583 16.3464 16.3464 16.8037 16.8037 18.2103 18.2103 20.6487 20.6487 23.8300 23.8300 24.4024 24.4024 26.2248 26.2248 k = 0.2619 0.1512 0.5158 ( 822 PWs) bands (ev): -41.2044 -41.2044 -17.1770 -17.1770 -14.8973 -14.8973 -14.4010 -14.4010 9.1940 9.1940 13.6916 13.6916 16.2970 16.2970 16.7589 16.7589 18.2438 18.2438 20.7471 20.7471 23.8549 23.8549 24.4519 24.4519 26.3214 26.3214 k = 0.2698 0.1558 0.5158 ( 822 PWs) bands (ev): -41.2015 -41.2015 -17.1815 -17.1815 -14.9035 -14.9035 -14.4106 -14.4106 9.1693 9.1693 13.7216 13.7216 16.2486 16.2486 16.7141 16.7141 18.2842 18.2842 20.8469 20.8469 23.8782 23.8782 24.5036 24.5036 26.4170 26.4170 k = 0.2778 0.1604 0.5158 ( 822 PWs) bands (ev): -41.1986 -41.1986 -17.1861 -17.1861 -14.9099 -14.9099 -14.4198 -14.4198 9.1449 9.1449 13.7482 13.7482 16.2012 16.2012 16.6695 16.6695 18.3316 18.3316 20.9479 20.9479 23.8999 23.8999 24.5572 24.5572 26.5113 26.5113 k = 0.2857 0.1650 0.5158 ( 822 PWs) bands (ev): -41.1957 -41.1957 -17.1907 -17.1907 -14.9162 -14.9162 -14.4287 -14.4287 9.1207 9.1207 13.7715 13.7715 16.1550 16.1550 16.6253 16.6253 18.3857 18.3857 21.0498 21.0498 23.9200 23.9200 24.6127 24.6127 26.6042 26.6042 k = 0.2937 0.1695 0.5158 ( 822 PWs) bands (ev): -41.1929 -41.1929 -17.1953 -17.1953 -14.9226 -14.9226 -14.4373 -14.4373 9.0970 9.0970 13.7914 13.7914 16.1100 16.1100 16.5814 16.5814 18.4464 18.4464 21.1525 21.1525 23.9383 23.9383 24.6699 24.6699 26.6954 26.6954 k = 0.3016 0.1741 0.5158 ( 822 PWs) bands (ev): -41.1901 -41.1901 -17.2000 -17.2000 -14.9289 -14.9289 -14.4456 -14.4456 9.0736 9.0736 13.8081 13.8081 16.0662 16.0662 16.5382 16.5382 18.5134 18.5134 21.2557 21.2557 23.9548 23.9548 24.7286 24.7286 26.7849 26.7849 k = 0.3095 0.1787 0.5158 ( 822 PWs) bands (ev): -41.1874 -41.1874 -17.2046 -17.2046 -14.9353 -14.9353 -14.4535 -14.4535 9.0507 9.0507 13.8217 13.8217 16.0238 16.0238 16.4957 16.4957 18.5863 18.5863 21.3591 21.3591 23.9694 23.9694 24.7886 24.7886 26.8723 26.8723 k = 0.3175 0.1833 0.5158 ( 822 PWs) bands (ev): -41.1847 -41.1847 -17.2093 -17.2093 -14.9416 -14.9416 -14.4611 -14.4611 9.0284 9.0284 13.8324 13.8324 15.9827 15.9827 16.4540 16.4540 18.6648 18.6648 21.4626 21.4626 23.9819 23.9819 24.8496 24.8496 26.9576 26.9576 k = 0.3254 0.1879 0.5158 ( 820 PWs) bands (ev): -41.1820 -41.1820 -17.2138 -17.2138 -14.9478 -14.9478 -14.4683 -14.4683 9.0066 9.0066 13.8404 13.8404 15.9431 15.9431 16.4132 16.4132 18.7484 18.7484 21.5657 21.5657 23.9923 23.9923 24.9114 24.9114 27.0405 27.0405 k = 0.3333 0.1925 0.5158 ( 818 PWs) bands (ev): -41.1793 -41.1793 -17.2184 -17.2184 -14.9539 -14.9539 -14.4751 -14.4751 8.9854 8.9854 13.8459 13.8459 15.9050 15.9050 16.3735 16.3735 18.8366 18.8366 21.6683 21.6683 24.0007 24.0007 24.9739 24.9739 27.1210 27.1210 k = 0.3413 0.1970 0.5158 ( 818 PWs) bands (ev): -41.1768 -41.1768 -17.2229 -17.2229 -14.9599 -14.9599 -14.4816 -14.4816 8.9649 8.9649 13.8492 13.8492 15.8683 15.8683 16.3349 16.3349 18.9287 18.9287 21.7700 21.7700 24.0068 24.0068 25.0367 25.0367 27.1987 27.1987 k = 0.3492 0.2016 0.5158 ( 818 PWs) bands (ev): -41.1744 -41.1744 -17.2273 -17.2273 -14.9658 -14.9658 -14.4877 -14.4877 8.9451 8.9451 13.8505 13.8505 15.8332 15.8332 16.2976 16.2976 19.0243 19.0243 21.8704 21.8704 24.0106 24.0106 25.0996 25.0996 27.2737 27.2737 k = 0.3571 0.2062 0.5158 ( 818 PWs) bands (ev): -41.1721 -41.1721 -17.2316 -17.2316 -14.9716 -14.9716 -14.4935 -14.4935 8.9261 8.9261 13.8501 13.8501 15.7998 15.7998 16.2617 16.2617 19.1227 19.1227 21.9693 21.9693 24.0122 24.0122 25.1622 25.1622 27.3458 27.3458 k = 0.3651 0.2108 0.5158 ( 818 PWs) bands (ev): -41.1698 -41.1698 -17.2357 -17.2357 -14.9771 -14.9771 -14.4988 -14.4988 8.9078 8.9078 13.8482 13.8482 15.7679 15.7679 16.2272 16.2272 19.2232 19.2232 22.0662 22.0662 24.0115 24.0115 25.2244 25.2244 27.4147 27.4147 k = 0.3730 0.2154 0.5158 ( 818 PWs) bands (ev): -41.1677 -41.1677 -17.2398 -17.2398 -14.9825 -14.9825 -14.5039 -14.5039 8.8904 8.8904 13.8450 13.8450 15.7377 15.7377 16.1942 16.1942 19.3250 19.3250 22.1608 22.1608 24.0086 24.0086 25.2857 25.2857 27.4805 27.4805 k = 0.3810 0.2199 0.5158 ( 818 PWs) bands (ev): -41.1656 -41.1656 -17.2437 -17.2437 -14.9877 -14.9877 -14.5086 -14.5086 8.8739 8.8739 13.8409 13.8409 15.7092 15.7092 16.1629 16.1629 19.4275 19.4275 22.2527 22.2527 24.0035 24.0035 25.3459 25.3459 27.5429 27.5429 k = 0.3889 0.2245 0.5158 ( 818 PWs) bands (ev): -41.1637 -41.1637 -17.2474 -17.2474 -14.9926 -14.9926 -14.5129 -14.5129 8.8582 8.8582 13.8360 13.8360 15.6824 15.6824 16.1332 16.1332 19.5299 19.5299 22.3415 22.3415 23.9962 23.9962 25.4046 25.4046 27.6018 27.6018 k = 0.3968 0.2291 0.5158 ( 810 PWs) bands (ev): -41.1615 -41.1615 -17.2509 -17.2509 -14.9971 -14.9971 -14.5169 -14.5169 8.8435 8.8435 13.8306 13.8306 15.6574 15.6574 16.1053 16.1053 19.6313 19.6313 22.4267 22.4267 23.9870 23.9870 25.4614 25.4614 27.6572 27.6572 k = 0.4048 0.2337 0.5158 ( 810 PWs) bands (ev): -41.1598 -41.1598 -17.2542 -17.2542 -15.0015 -15.0015 -14.5205 -14.5205 8.8297 8.8297 13.8248 13.8248 15.6341 15.6341 16.0792 16.0792 19.7309 19.7309 22.5078 22.5078 23.9760 23.9760 25.5161 25.5161 27.7088 27.7088 k = 0.4127 0.2383 0.5158 ( 826 PWs) bands (ev): -41.1589 -41.1589 -17.2576 -17.2576 -15.0059 -15.0059 -14.5241 -14.5241 8.8169 8.8169 13.8188 13.8188 15.6126 15.6126 16.0549 16.0549 19.8278 19.8278 22.5846 22.5846 23.9635 23.9635 25.5683 25.5683 27.7567 27.7567 k = 0.4206 0.2429 0.5158 ( 826 PWs) bands (ev): -41.1574 -41.1574 -17.2605 -17.2605 -15.0097 -15.0097 -14.5271 -14.5271 8.8052 8.8052 13.8128 13.8128 15.5929 15.5929 16.0326 16.0326 19.9210 19.9210 22.6565 22.6565 23.9497 23.9497 25.6175 25.6175 27.8008 27.8008 k = 0.4286 0.2474 0.5158 ( 826 PWs) bands (ev): -41.1561 -41.1561 -17.2632 -17.2632 -15.0131 -15.0131 -14.5299 -14.5299 8.7945 8.7945 13.8069 13.8069 15.5751 15.5751 16.0123 16.0123 20.0096 20.0096 22.7231 22.7231 23.9350 23.9350 25.6635 25.6635 27.8408 27.8408 k = 0.4365 0.2520 0.5158 ( 830 PWs) bands (ev): -41.1550 -41.1550 -17.2657 -17.2657 -15.0163 -15.0163 -14.5324 -14.5324 8.7849 8.7849 13.8013 13.8013 15.5591 15.5591 15.9940 15.9940 20.0926 20.0926 22.7840 22.7840 23.9198 23.9198 25.7058 25.7058 27.8769 27.8769 k = 0.4444 0.2566 0.5158 ( 830 PWs) bands (ev): -41.1539 -41.1539 -17.2679 -17.2679 -15.0191 -15.0191 -14.5345 -14.5345 8.7763 8.7763 13.7961 13.7961 15.5449 15.5449 15.9778 15.9778 20.1690 20.1690 22.8388 22.8388 23.9047 23.9047 25.7441 25.7441 27.9089 27.9089 k = 0.4524 0.2612 0.5158 ( 830 PWs) bands (ev): -41.1530 -41.1530 -17.2698 -17.2698 -15.0216 -15.0216 -14.5363 -14.5363 8.7689 8.7689 13.7913 13.7913 15.5326 15.5326 15.9637 15.9637 20.2378 20.2378 22.8871 22.8871 23.8900 23.8900 25.7781 25.7781 27.9367 27.9367 k = 0.4603 0.2658 0.5158 ( 830 PWs) bands (ev): -41.1522 -41.1522 -17.2715 -17.2715 -15.0237 -15.0237 -14.5378 -14.5378 8.7626 8.7626 13.7872 13.7872 15.5222 15.5222 15.9516 15.9516 20.2980 20.2980 22.9286 22.9286 23.8764 23.8764 25.8074 25.8074 27.9603 27.9603 k = 0.4683 0.2703 0.5158 ( 830 PWs) bands (ev): -41.1515 -41.1515 -17.2728 -17.2728 -15.0254 -15.0254 -14.5391 -14.5391 8.7574 8.7574 13.7837 13.7837 15.5137 15.5137 15.9418 15.9418 20.3488 20.3488 22.9630 22.9630 23.8643 23.8643 25.8318 25.8318 27.9797 27.9797 k = 0.4762 0.2749 0.5158 ( 834 PWs) bands (ev): -41.1512 -41.1512 -17.2739 -17.2739 -15.0268 -15.0268 -14.5401 -14.5401 8.7533 8.7533 13.7809 13.7809 15.5070 15.5070 15.9341 15.9341 20.3892 20.3892 22.9900 22.9900 23.8544 23.8544 25.8511 25.8511 27.9949 27.9949 k = 0.4841 0.2795 0.5158 ( 834 PWs) bands (ev): -41.1508 -41.1508 -17.2747 -17.2747 -15.0278 -15.0278 -14.5408 -14.5408 8.7504 8.7504 13.7789 13.7789 15.5023 15.5023 15.9286 15.9286 20.4186 20.4186 23.0094 23.0094 23.8469 23.8469 25.8650 25.8650 28.0057 28.0057 k = 0.4921 0.2841 0.5158 ( 836 PWs) bands (ev): -41.1507 -41.1507 -17.2752 -17.2752 -15.0284 -15.0284 -14.5412 -14.5412 8.7487 8.7487 13.7777 13.7777 15.4994 15.4994 15.9253 15.9253 20.4364 20.4364 23.0212 23.0212 23.8423 23.8423 25.8734 25.8734 28.0122 28.0122 k = 0.5000 0.2887 0.5158 ( 836 PWs) bands (ev): -41.1506 -41.1506 -17.2753 -17.2753 -15.0286 -15.0286 -14.5414 -14.5414 8.7481 8.7481 13.7773 13.7773 15.4985 15.4985 15.9242 15.9242 20.4424 20.4424 23.0251 23.0251 23.8407 23.8407 25.8762 25.8762 28.0144 28.0144 k = 0.5000 0.2887 0.5158 ( 836 PWs) bands (ev): -41.1506 -41.1506 -17.2753 -17.2753 -15.0286 -15.0286 -14.5414 -14.5414 8.7481 8.7481 13.7773 13.7773 15.4985 15.4985 15.9242 15.9242 20.4424 20.4424 23.0251 23.0251 23.8407 23.8407 25.8762 25.8762 28.0144 28.0144 k = 0.4955 0.2965 0.5158 ( 838 PWs) bands (ev): -41.1507 -41.1507 -17.2760 -17.2747 -15.0285 -15.0285 -14.5427 -14.5408 8.7484 8.7488 13.7770 13.7808 15.4617 15.4697 15.9534 15.9606 20.4323 20.4418 23.0278 23.0357 23.8378 23.8434 25.8703 25.8772 28.0125 28.0204 k = 0.4910 0.3043 0.5158 ( 834 PWs) bands (ev): -41.1505 -41.1505 -17.2767 -17.2739 -15.0281 -15.0280 -14.5445 -14.5407 8.7498 8.7506 13.7800 13.7875 15.3807 15.3930 16.0308 16.0415 20.4119 20.4304 23.0439 23.0593 23.8348 23.8461 25.8598 25.8733 28.0149 28.0305 k = 0.4865 0.3121 0.5158 ( 834 PWs) bands (ev): -41.1503 -41.1503 -17.2774 -17.2733 -15.0274 -15.0273 -14.5471 -14.5414 8.7521 8.7533 13.7862 13.7974 15.2801 15.2944 16.1302 16.1422 20.3818 20.4088 23.0730 23.0946 23.8315 23.8491 25.8446 25.8647 28.0214 28.0445 k = 0.4820 0.3199 0.5158 ( 834 PWs) bands (ev): -41.1502 -41.1502 -17.2781 -17.2726 -15.0265 -15.0264 -14.5503 -14.5427 8.7555 8.7571 13.7955 13.8104 15.1712 15.1867 16.2389 16.2513 20.3430 20.3777 23.1141 23.1404 23.8282 23.8529 25.8253 25.8515 28.0318 28.0621 k = 0.4775 0.3277 0.5158 ( 834 PWs) bands (ev): -41.1500 -41.1500 -17.2788 -17.2720 -15.0253 -15.0252 -14.5541 -14.5447 8.7598 8.7618 13.8079 13.8266 15.0587 15.0750 16.3517 16.3642 20.2968 20.3383 23.1660 23.1948 23.8251 23.8581 25.8020 25.8341 28.0458 28.0829 k = 0.4730 0.3355 0.5158 ( 834 PWs) bands (ev): -41.1497 -41.1497 -17.2795 -17.2713 -15.0238 -15.0237 -14.5585 -14.5472 8.7651 8.7675 13.8233 13.8457 14.9447 14.9618 16.4661 16.4785 20.2442 20.2916 23.2268 23.2554 23.8227 23.8659 25.7754 25.8130 28.0630 28.1064 k = 0.4685 0.3433 0.5158 ( 838 PWs) bands (ev): -41.1496 -41.1496 -17.2803 -17.2708 -15.0221 -15.0220 -14.5636 -14.5504 8.7713 8.7742 13.8415 13.8676 14.8305 14.8482 16.5810 16.5932 20.1867 20.2389 23.2946 23.3194 23.8219 23.8779 25.7457 25.7884 28.0830 28.1323 k = 0.4640 0.3511 0.5158 ( 834 PWs) bands (ev): -41.1491 -41.1491 -17.2809 -17.2701 -15.0201 -15.0200 -14.5691 -14.5541 8.7785 8.7818 13.8625 13.8923 14.7168 14.7350 16.6955 16.7075 20.1252 20.1814 23.3664 23.3831 23.8245 23.8966 25.7136 25.7609 28.1054 28.1601 k = 0.4595 0.3589 0.5158 ( 830 PWs) bands (ev): -41.1486 -41.1486 -17.2816 -17.2695 -15.0178 -15.0178 -14.5752 -14.5583 8.7865 8.7902 13.8861 13.9195 14.6040 14.6229 16.8090 16.8207 20.0609 20.1204 23.4382 23.4421 23.8333 23.9254 25.6795 25.7310 28.1296 28.1893 k = 0.4550 0.3667 0.5158 ( 826 PWs) bands (ev): -41.1480 -41.1480 -17.2823 -17.2689 -15.0153 -15.0152 -14.5818 -14.5631 8.7953 8.7995 13.9121 13.9490 14.4925 14.5121 16.9211 16.9326 19.9946 20.0567 23.4919 23.5037 23.8537 23.9679 25.6439 25.6992 28.1553 28.2195 k = 0.4505 0.3745 0.5158 ( 822 PWs) bands (ev): -41.1474 -41.1474 -17.2829 -17.2683 -15.0126 -15.0124 -14.5888 -14.5683 8.8050 8.8095 13.9402 13.9806 14.3827 14.4032 17.0315 17.0427 19.9274 19.9914 23.5293 23.5550 23.8923 24.0264 25.6071 25.6660 28.1820 28.2502 k = 0.4459 0.3823 0.5158 ( 826 PWs) bands (ev): -41.1471 -41.1471 -17.2837 -17.2678 -15.0097 -15.0094 -14.5966 -14.5742 8.8153 8.8202 13.9702 14.0136 14.2750 14.2966 17.1398 17.1508 19.8600 19.9254 23.5539 23.5873 23.9536 24.1006 25.5698 25.6318 28.2093 28.2811 k = 0.4414 0.3901 0.5158 ( 822 PWs) bands (ev): -41.1464 -41.1464 -17.2844 -17.2673 -15.0066 -15.0061 -14.6045 -14.5802 8.8263 8.8317 14.0015 14.0462 14.1699 14.1945 17.2456 17.2564 19.7929 19.8594 23.5673 23.6021 24.0350 24.1882 25.5322 25.5970 28.2369 28.3119 k = 0.4369 0.3979 0.5158 ( 822 PWs) bands (ev): -41.1459 -41.1459 -17.2851 -17.2669 -15.0033 -15.0026 -14.6129 -14.5869 8.8378 8.8437 14.0282 14.0561 14.0732 14.1189 17.3488 17.3594 19.7269 19.7940 23.5722 23.6048 24.1306 24.2860 25.4947 25.5621 28.2643 28.3423 k = 0.4324 0.4057 0.5158 ( 826 PWs) bands (ev): -41.1455 -41.1455 -17.2859 -17.2666 -14.9999 -14.9990 -14.6218 -14.5939 8.8499 8.8562 13.9602 13.9772 14.0752 14.1359 17.4490 17.4595 19.6624 19.7299 23.5708 23.5998 24.2353 24.3911 25.4578 25.5275 28.2913 28.3719 k = 0.4279 0.4135 0.5158 ( 834 PWs) bands (ev): -41.1452 -41.1452 -17.2868 -17.2663 -14.9963 -14.9951 -14.6311 -14.6013 8.8625 8.8692 13.8634 13.8822 14.1097 14.1727 17.5460 17.5564 19.5999 19.6675 23.5648 23.5900 24.3459 24.5014 25.4217 25.4936 28.3176 28.4005 k = 0.4234 0.4213 0.5158 ( 834 PWs) bands (ev): -41.1447 -41.1447 -17.2875 -17.2660 -14.9925 -14.9909 -14.6405 -14.6089 8.8754 8.8825 13.7683 13.7883 14.1460 14.2121 17.6396 17.6499 19.5399 19.6074 23.5554 23.5769 24.4601 24.6154 25.3868 25.4606 28.3431 28.4280 k = 0.4189 0.4291 0.5158 ( 830 PWs) bands (ev): -41.1439 -41.1439 -17.2882 -17.2656 -14.9885 -14.9865 -14.6501 -14.6167 8.8886 8.8962 13.6762 13.6969 14.1830 14.2525 17.7294 17.7397 19.4826 19.5501 23.5433 23.5614 24.5767 24.7317 25.3533 25.4288 28.3675 28.4543 k = 0.4144 0.4369 0.5158 ( 830 PWs) bands (ev): -41.1433 -41.1433 -17.2890 -17.2654 -14.9844 -14.9819 -14.6599 -14.6247 8.9019 8.9100 13.5873 13.6086 14.2202 14.2932 17.8152 17.8257 19.4285 19.4957 23.5292 23.5443 24.6945 24.8494 25.3215 25.3986 28.3907 28.4791 k = 0.4099 0.4447 0.5158 ( 830 PWs) bands (ev): -41.1427 -41.1427 -17.2897 -17.2652 -14.9802 -14.9771 -14.6700 -14.6328 8.9154 8.9239 13.5019 13.5237 14.2573 14.3337 17.8969 17.9076 19.3779 19.4448 23.5135 23.5258 24.8126 24.9677 25.2917 25.3701 28.4126 28.5025 k = 0.4054 0.4525 0.5158 ( 830 PWs) bands (ev): -41.1421 -41.1421 -17.2904 -17.2650 -14.9759 -14.9721 -14.6801 -14.6410 8.9288 8.9377 13.4201 13.4425 14.2939 14.3736 17.9743 17.9852 19.3308 19.3975 23.4966 23.5064 24.9301 25.0856 25.2644 25.3436 28.4331 28.5243 k = 0.4009 0.4603 0.5158 ( 830 PWs) bands (ev): -41.1415 -41.1415 -17.2912 -17.2649 -14.9716 -14.9670 -14.6903 -14.6493 8.9421 8.9514 13.3422 13.3651 14.3296 14.4127 18.0471 18.0584 19.2877 19.3541 23.4787 23.4863 25.0455 25.2022 25.2405 25.3197 28.4522 28.5445 k = 0.3964 0.4681 0.5158 ( 830 PWs) bands (ev): -41.1409 -41.1409 -17.2919 -17.2648 -14.9672 -14.9618 -14.7005 -14.6575 8.9551 8.9649 13.2683 13.2917 14.3642 14.4505 18.1151 18.1270 19.2485 19.3148 23.4601 23.4657 25.1506 25.2275 25.2904 25.3248 28.4697 28.5632 k = 0.3919 0.4759 0.5158 ( 830 PWs) bands (ev): -41.1403 -41.1403 -17.2926 -17.2647 -14.9628 -14.9564 -14.7106 -14.6656 8.9678 8.9780 13.1987 13.2225 14.3974 14.4867 18.1783 18.1908 19.2134 19.2796 23.4412 23.4448 25.1802 25.2745 25.2902 25.4340 28.4858 28.5802 k = 0.3874 0.4837 0.5158 ( 830 PWs) bands (ev): -41.1397 -41.1397 -17.2933 -17.2647 -14.9585 -14.9509 -14.7207 -14.6736 8.9800 8.9907 13.1335 13.1577 14.4288 14.5211 18.2366 18.2498 19.1824 19.2488 23.4220 23.4240 25.1664 25.2570 25.3958 25.5443 28.5004 28.5957 k = 0.3829 0.4915 0.5158 ( 830 PWs) bands (ev): -41.1391 -41.1391 -17.2940 -17.2647 -14.9542 -14.9453 -14.7307 -14.6814 8.9917 9.0027 13.0729 13.0975 14.4583 14.5534 18.2898 18.3039 19.1556 19.2222 23.4029 23.4033 25.1510 25.2415 25.5016 25.6513 28.5136 28.6097 k = 0.3784 0.4993 0.5158 ( 830 PWs) bands (ev): -41.1386 -41.1386 -17.2946 -17.2647 -14.9500 -14.9397 -14.7404 -14.6889 9.0027 9.0141 13.0170 13.0420 14.4856 14.5832 18.3380 18.3530 19.1328 19.1998 23.3831 23.3840 25.1372 25.2281 25.6039 25.7540 28.5253 28.6222 k = 0.3739 0.5071 0.5158 ( 830 PWs) bands (ev): -41.1381 -41.1381 -17.2952 -17.2648 -14.9460 -14.9341 -14.7498 -14.6960 9.0129 9.0246 12.9660 12.9914 14.5105 14.6104 18.3811 18.3971 19.1139 19.1814 23.3636 23.3658 25.1253 25.2169 25.7014 25.8514 28.5357 28.6333 k = 0.3694 0.5149 0.5158 ( 830 PWs) bands (ev): -41.1377 -41.1377 -17.2958 -17.2649 -14.9422 -14.9286 -14.7589 -14.7026 9.0222 9.0343 12.9201 12.9458 14.5328 14.6349 18.4191 18.4363 19.0987 19.1669 23.3450 23.3483 25.1155 25.2077 25.7928 25.9428 28.5448 28.6431 k = 0.3649 0.5227 0.5158 ( 830 PWs) bands (ev): -41.1372 -41.1372 -17.2963 -17.2650 -14.9387 -14.9232 -14.7675 -14.7088 9.0306 9.0429 12.8793 12.9053 14.5525 14.6565 18.4521 18.4704 19.0869 19.1558 23.3276 23.3319 25.1075 25.2004 25.8773 26.0271 28.5526 28.6515 k = 0.3604 0.5305 0.5158 ( 830 PWs) bands (ev): -41.1369 -41.1369 -17.2968 -17.2651 -14.9355 -14.9180 -14.7755 -14.7143 9.0380 9.0506 12.8438 12.8700 14.5695 14.6750 18.4802 18.4995 19.0782 19.1479 23.3117 23.3169 25.1014 25.1949 25.9538 26.1034 28.5593 28.6587 k = 0.3559 0.5383 0.5158 ( 830 PWs) bands (ev): -41.1365 -41.1365 -17.2973 -17.2652 -14.9327 -14.9131 -14.7828 -14.7191 9.0442 9.0571 12.8136 12.8401 14.5836 14.6906 18.5036 18.5239 19.0722 19.1427 23.2976 23.3035 25.0968 25.1909 26.0211 26.1706 28.5648 28.6648 k = 0.3514 0.5461 0.5158 ( 834 PWs) bands (ev): -41.1364 -41.1364 -17.2977 -17.2654 -14.9303 -14.9088 -14.7893 -14.7233 9.0494 9.0624 12.7889 12.8156 14.5950 14.7031 18.5224 18.5434 19.0685 19.1397 23.2854 23.2920 25.0937 25.1882 26.0783 26.2275 28.5693 28.6697 k = 0.3468 0.5539 0.5158 ( 834 PWs) bands (ev): -41.1362 -41.1362 -17.2980 -17.2655 -14.9284 -14.9051 -14.7945 -14.7265 9.0533 9.0665 12.7696 12.7965 14.6037 14.7127 18.5367 18.5583 19.0666 19.1383 23.2756 23.2827 25.0917 25.1866 26.1242 26.2733 28.5727 28.6735 k = 0.3423 0.5617 0.5158 ( 830 PWs) bands (ev): -41.1358 -41.1358 -17.2982 -17.2655 -14.9270 -14.9022 -14.7985 -14.7288 9.0562 9.0694 12.7559 12.7829 14.6098 14.7193 18.5467 18.5688 19.0659 19.1380 23.2683 23.2757 25.0906 25.1859 26.1580 26.3069 28.5752 28.6762 k = 0.3378 0.5695 0.5158 ( 830 PWs) bands (ev): -41.1357 -41.1357 -17.2983 -17.2656 -14.9261 -14.9005 -14.8010 -14.7302 9.0578 9.0712 12.7477 12.7747 14.6134 14.7232 18.5525 18.5749 19.0659 19.1383 23.2638 23.2714 25.0902 25.1856 26.1787 26.3276 28.5766 28.6778 k = 0.3333 0.5774 0.5158 ( 834 PWs) bands (ev): -41.1359 -41.1359 -17.2984 -17.2657 -14.9260 -14.9000 -14.8018 -14.7307 9.0584 9.0717 12.7450 12.7720 14.6145 14.7245 18.5544 18.5769 19.0660 19.1385 23.2622 23.2700 25.0901 25.1856 26.1857 26.3346 28.5771 28.6784 k = 0.3333 0.5774 0.5158 ( 834 PWs) bands (ev): -41.1359 -41.1359 -17.2984 -17.2657 -14.9260 -14.9000 -14.8018 -14.7307 9.0584 9.0717 12.7450 12.7720 14.6145 14.7245 18.5544 18.5769 19.0660 19.1385 23.2622 23.2700 25.0901 25.1856 26.1857 26.3346 28.5771 28.6784 k = 0.3288 0.5694 0.5158 ( 834 PWs) bands (ev): -41.1359 -41.1359 -17.2984 -17.2656 -14.9262 -14.9005 -14.8010 -14.7302 9.0578 9.0712 12.7477 12.7748 14.6134 14.7232 18.5525 18.5749 19.0657 19.1381 23.2639 23.2715 25.0901 25.1855 26.1784 26.3273 28.5766 28.6778 k = 0.3242 0.5615 0.5158 ( 834 PWs) bands (ev): -41.1360 -41.1360 -17.2982 -17.2655 -14.9270 -14.9022 -14.7985 -14.7288 9.0563 9.0695 12.7561 12.7830 14.6101 14.7197 18.5469 18.5691 19.0644 19.1365 23.2689 23.2763 25.0899 25.1851 26.1565 26.3054 28.5750 28.6760 k = 0.3196 0.5536 0.5158 ( 834 PWs) bands (ev): -41.1362 -41.1362 -17.2979 -17.2654 -14.9282 -14.9047 -14.7947 -14.7265 9.0537 9.0669 12.7698 12.7966 14.6049 14.7139 18.5379 18.5598 19.0615 19.1332 23.2773 23.2843 25.0892 25.1841 26.1200 26.2689 28.5723 28.6730 k = 0.3151 0.5457 0.5158 ( 834 PWs) bands (ev): -41.1365 -41.1365 -17.2975 -17.2652 -14.9298 -14.9079 -14.7898 -14.7234 9.0504 9.0634 12.7888 12.8155 14.5980 14.7063 18.5255 18.5471 19.0566 19.1279 23.2891 23.2956 25.0877 25.1821 26.0695 26.2183 28.5683 28.6686 k = 0.3105 0.5378 0.5158 ( 834 PWs) bands (ev): -41.1369 -41.1369 -17.2969 -17.2649 -14.9317 -14.9114 -14.7839 -14.7195 9.0463 9.0591 12.8131 12.8396 14.5894 14.6968 18.5101 18.5313 19.0493 19.1199 23.3042 23.3100 25.0852 25.1791 26.0055 26.1543 28.5630 28.6627 k = 0.3059 0.5299 0.5158 ( 834 PWs) bands (ev): -41.1373 -41.1373 -17.2962 -17.2645 -14.9338 -14.9152 -14.7772 -14.7149 9.0416 9.0542 12.8424 12.8686 14.5795 14.6859 18.4918 18.5127 19.0391 19.1091 23.3225 23.3275 25.0814 25.1746 25.9289 26.0775 28.5561 28.6551 k = 0.3014 0.5220 0.5158 ( 830 PWs) bands (ev): -41.1377 -41.1377 -17.2953 -17.2639 -14.9360 -14.9189 -14.7700 -14.7096 9.0365 9.0489 12.8765 12.9026 14.5684 14.6736 18.4709 18.4915 19.0259 19.0951 23.3438 23.3478 25.0762 25.1686 25.8408 25.9890 28.5475 28.6458 k = 0.2968 0.5141 0.5158 ( 830 PWs) bands (ev): -41.1383 -41.1383 -17.2943 -17.2633 -14.9383 -14.9227 -14.7623 -14.7039 9.0310 9.0431 12.9154 12.9411 14.5562 14.6601 18.4476 18.4679 19.0095 19.0778 23.3677 23.3706 25.0694 25.1609 25.7421 25.8898 28.5370 28.6344 k = 0.2922 0.5062 0.5158 ( 830 PWs) bands (ev): -41.1390 -41.1390 -17.2931 -17.2625 -14.9406 -14.9262 -14.7542 -14.6977 9.0253 9.0371 12.9588 12.9842 14.5432 14.6456 18.4221 18.4421 18.9897 19.0571 23.3938 23.3955 25.0607 25.1513 25.6341 25.7811 28.5243 28.6208 k = 0.2877 0.4983 0.5158 ( 830 PWs) bands (ev): -41.1399 -41.1399 -17.2917 -17.2617 -14.9428 -14.9296 -14.7457 -14.6910 9.0195 9.0311 13.0065 13.0317 14.5294 14.6302 18.3947 18.4145 18.9665 19.0329 23.4217 23.4222 25.0501 25.1397 25.5178 25.6639 28.5092 28.6047 k = 0.2831 0.4904 0.5158 ( 834 PWs) bands (ev): -41.1410 -41.1410 -17.2902 -17.2607 -14.9450 -14.9327 -14.7371 -14.6840 9.0139 9.0251 13.0584 13.0832 14.5149 14.6141 18.3655 18.3851 18.9399 19.0053 23.4500 23.4509 25.0373 25.1259 25.3945 25.5393 28.4914 28.5858 k = 0.2785 0.4824 0.5158 ( 834 PWs) bands (ev): -41.1420 -41.1420 -17.2885 -17.2596 -14.9470 -14.9355 -14.7281 -14.6766 9.0084 9.0193 13.1143 13.1388 14.4999 14.5974 18.3348 18.3543 18.9100 18.9744 23.4785 23.4807 25.0218 25.1098 25.2656 25.4087 28.4706 28.5640 k = 0.2740 0.4745 0.5158 ( 834 PWs) bands (ev): -41.1431 -41.1431 -17.2866 -17.2583 -14.9488 -14.9380 -14.7190 -14.6689 9.0033 9.0139 13.1740 13.1981 14.4845 14.5802 18.3028 18.3221 18.8770 18.9404 23.5069 23.5105 25.0019 25.0910 25.1339 25.2735 28.4467 28.5389 k = 0.2694 0.4666 0.5158 ( 834 PWs) bands (ev): -41.1443 -41.1443 -17.2844 -17.2568 -14.9504 -14.9401 -14.7096 -14.6610 8.9987 9.0089 13.2374 13.2610 14.4686 14.5625 18.2697 18.2889 18.8410 18.9034 23.5346 23.5396 24.9580 25.0204 25.0656 25.1387 28.4194 28.5103 k = 0.2648 0.4587 0.5158 ( 834 PWs) bands (ev): -41.1456 -41.1456 -17.2821 -17.2552 -14.9517 -14.9418 -14.7001 -14.6528 8.9946 9.0044 13.3041 13.3274 14.4525 14.5444 18.2356 18.2548 18.8024 18.8637 23.5606 23.5669 24.8374 24.9786 24.9788 25.0606 28.3884 28.4781 k = 0.2603 0.4508 0.5158 ( 830 PWs) bands (ev): -41.1469 -41.1469 -17.2796 -17.2533 -14.9527 -14.9431 -14.6904 -14.6444 8.9912 9.0007 13.3742 13.3970 14.4360 14.5259 18.2008 18.2200 18.7614 18.8217 23.5838 23.5912 24.6972 24.8383 24.9535 25.0323 28.3535 28.4419 k = 0.2557 0.4429 0.5158 ( 830 PWs) bands (ev): -41.1484 -41.1484 -17.2769 -17.2514 -14.9534 -14.9442 -14.6805 -14.6358 8.9886 8.9977 13.4473 13.4696 14.4193 14.5071 18.1654 18.1846 18.7182 18.7776 23.6027 23.6109 24.5554 24.6946 24.9286 25.0056 28.3147 28.4018 k = 0.2511 0.4350 0.5158 ( 830 PWs) bands (ev): -41.1500 -41.1500 -17.2740 -17.2493 -14.9539 -14.9448 -14.6706 -14.6270 8.9868 8.9956 13.5233 13.5452 14.4023 14.4880 18.1296 18.1488 18.6733 18.7317 23.6151 23.6233 24.4165 24.5528 24.9026 24.9779 28.2717 28.3575 k = 0.2466 0.4271 0.5158 ( 822 PWs) bands (ev): -41.1514 -41.1514 -17.2708 -17.2469 -14.9539 -14.9450 -14.6603 -14.6180 8.9860 8.9944 13.6021 13.6235 14.3849 14.4685 18.0936 18.1129 18.6270 18.6844 23.6178 23.6240 24.2853 24.4170 24.8752 24.9488 28.2245 28.3089 k = 0.2420 0.4192 0.5158 ( 822 PWs) bands (ev): -41.1532 -41.1532 -17.2676 -17.2444 -14.9538 -14.9449 -14.6501 -14.6089 8.9861 8.9942 13.6835 13.7044 14.3672 14.4487 18.0575 18.0768 18.5795 18.6361 23.6054 23.6056 24.1696 24.2927 24.8465 24.9183 28.1730 28.2561 k = 0.2374 0.4113 0.5158 ( 822 PWs) bands (ev): -41.1551 -41.1551 -17.2642 -17.2418 -14.9533 -14.9445 -14.6397 -14.5997 8.9873 8.9950 13.7674 13.7877 14.3491 14.4284 18.0215 18.0408 18.5313 18.5870 23.5586 23.5709 24.0792 24.1874 24.8166 24.8865 28.1173 28.1990 k = 0.2329 0.4034 0.5158 ( 822 PWs) bands (ev): -41.1571 -41.1571 -17.2606 -17.2390 -14.9525 -14.9437 -14.6293 -14.5903 8.9896 8.9970 13.8535 13.8731 14.3305 14.4076 17.9856 18.0050 18.4827 18.5377 23.4773 23.5073 24.0199 24.1081 24.7855 24.8535 28.0573 28.1377 k = 0.2283 0.3954 0.5158 ( 822 PWs) bands (ev): -41.1592 -41.1592 -17.2568 -17.2361 -14.9513 -14.9426 -14.6187 -14.5809 8.9931 9.0001 13.9417 13.9605 14.3113 14.3864 17.9502 17.9696 18.4341 18.4883 23.3662 23.4136 23.9877 24.0561 24.7534 24.8194 27.9932 28.0723 k = 0.2237 0.3875 0.5158 ( 822 PWs) bands (ev): -41.1614 -41.1614 -17.2529 -17.2331 -14.9499 -14.9412 -14.6080 -14.5713 8.9977 9.0043 14.0318 14.0496 14.2915 14.3648 17.9152 17.9346 18.3859 18.4393 23.2354 23.2957 23.9725 24.0258 24.7205 24.7845 27.9250 28.0028 k = 0.2192 0.3796 0.5158 ( 822 PWs) bands (ev): -41.1636 -41.1636 -17.2489 -17.2299 -14.9481 -14.9394 -14.5971 -14.5616 9.0034 9.0098 14.1236 14.1397 14.2711 14.3432 17.8808 17.9002 18.3383 18.3911 23.0933 23.1619 23.9663 24.0093 24.6869 24.7488 27.8529 27.9294 k = 0.2146 0.3717 0.5158 ( 822 PWs) bands (ev): -41.1660 -41.1660 -17.2447 -17.2265 -14.9460 -14.9373 -14.5862 -14.5518 9.0104 9.0164 14.2152 14.2273 14.2517 14.3247 17.8472 17.8664 18.2919 18.3440 22.9452 23.0186 23.9641 24.0003 24.6527 24.7126 27.7770 27.8522 k = 0.2100 0.3638 0.5158 ( 830 PWs) bands (ev): -41.1687 -41.1687 -17.2405 -17.2232 -14.9437 -14.9350 -14.5752 -14.5420 9.0185 9.0242 14.2250 14.2739 14.3144 14.3476 17.8143 17.8334 18.2469 18.2983 22.7941 22.8700 23.9632 23.9950 24.6180 24.6759 27.6975 27.7715 k = 0.2055 0.3559 0.5158 ( 830 PWs) bands (ev): -41.1712 -41.1712 -17.2361 -17.2196 -14.9411 -14.9324 -14.5640 -14.5320 9.0278 9.0332 14.2018 14.2574 14.4105 14.4338 17.7825 17.8014 18.2036 18.2544 22.6416 22.7186 23.9622 23.9911 24.5832 24.6389 27.6146 27.6874 k = 0.2009 0.3480 0.5158 ( 826 PWs) bands (ev): -41.1736 -41.1736 -17.2315 -17.2158 -14.9381 -14.9294 -14.5527 -14.5218 9.0384 9.0435 14.1767 14.2317 14.5083 14.5292 17.7517 17.7703 18.1625 18.2126 22.4891 22.5661 23.9601 23.9873 24.5482 24.6019 27.5284 27.6000 k = 0.1963 0.3401 0.5158 ( 830 PWs) bands (ev): -41.1763 -41.1763 -17.2269 -17.2121 -14.9349 -14.9263 -14.5414 -14.5116 9.0500 9.0548 14.1501 14.2032 14.6073 14.6269 17.7221 17.7402 18.1238 18.1732 22.3372 22.4136 23.9566 23.9827 24.5132 24.5648 27.4393 27.5097 k = 0.1918 0.3322 0.5158 ( 830 PWs) bands (ev): -41.1790 -41.1790 -17.2223 -17.2083 -14.9314 -14.9228 -14.5299 -14.5013 9.0628 9.0673 14.1218 14.1727 14.7073 14.7259 17.6937 17.7113 18.0879 18.1364 22.1865 22.2619 23.9513 23.9768 24.4784 24.5279 27.3473 27.4166 k = 0.1872 0.3243 0.5158 ( 826 PWs) bands (ev): -41.1815 -41.1815 -17.2175 -17.2043 -14.9276 -14.9192 -14.5182 -14.4908 9.0767 9.0810 14.0919 14.1403 14.8081 14.8260 17.6666 17.6837 18.0549 18.1027 22.0376 22.1116 23.9440 23.9694 24.4439 24.4913 27.2528 27.3209 k = 0.1826 0.3164 0.5158 ( 826 PWs) bands (ev): -41.1843 -41.1843 -17.2127 -17.2003 -14.9237 -14.9153 -14.5065 -14.4803 9.0916 9.0956 14.0600 14.1060 14.9096 14.9268 17.6409 17.6573 18.0253 18.0722 21.8907 21.9631 23.9349 23.9603 24.4097 24.4552 27.1558 27.2229 k = 0.1781 0.3084 0.5158 ( 826 PWs) bands (ev): -41.1871 -41.1871 -17.2079 -17.1963 -14.9195 -14.9113 -14.4947 -14.4698 9.1076 9.1113 14.0263 14.0697 15.0116 15.0282 17.6168 17.6323 17.9991 18.0451 21.7462 21.8168 23.9237 23.9494 24.3761 24.4196 27.0568 27.1228 k = 0.1735 0.3005 0.5158 ( 826 PWs) bands (ev): -41.1900 -41.1900 -17.2031 -17.1922 -14.9152 -14.9071 -14.4828 -14.4591 9.1245 9.1280 13.9905 14.0313 15.1140 15.1300 17.5941 17.6087 17.9767 18.0217 21.6043 21.6729 23.9106 23.9366 24.3430 24.3848 26.9558 27.0208 k = 0.1689 0.2926 0.5158 ( 826 PWs) bands (ev): -41.1929 -41.1929 -17.1983 -17.1881 -14.9106 -14.9028 -14.4708 -14.4483 9.1423 9.1455 13.9527 13.9910 15.2166 15.2319 17.5730 17.5866 17.9582 18.0022 21.4652 21.5318 23.8957 23.9219 24.3107 24.3508 26.8532 26.9170 k = 0.1644 0.2847 0.5158 ( 826 PWs) bands (ev): -41.1958 -41.1958 -17.1935 -17.1840 -14.9060 -14.8984 -14.4588 -14.4374 9.1609 9.1640 13.9129 13.9486 15.3192 15.3340 17.5535 17.5661 17.9437 17.9866 21.3291 21.3936 23.8791 23.9054 24.2790 24.3177 26.7491 26.8119 k = 0.1598 0.2768 0.5158 ( 830 PWs) bands (ev): -41.1988 -41.1988 -17.1888 -17.1800 -14.9012 -14.8939 -14.4467 -14.4265 9.1804 9.1832 13.8710 13.9042 15.4218 15.4359 17.5357 17.5471 17.9334 17.9751 21.1962 21.2586 23.8607 23.8871 24.2483 24.2857 26.6437 26.7055 k = 0.1553 0.2689 0.5158 ( 826 PWs) bands (ev): -41.2016 -41.2016 -17.1840 -17.1759 -14.8962 -14.8892 -14.4344 -14.4155 9.2005 9.2031 13.8271 13.8578 15.5240 15.5375 17.5195 17.5298 17.9272 17.9678 21.0666 21.1268 23.8408 23.8671 24.2184 24.2548 26.5373 26.5980 k = 0.1507 0.2610 0.5158 ( 822 PWs) bands (ev): -41.2044 -41.2044 -17.1793 -17.1718 -14.8912 -14.8844 -14.4221 -14.4044 9.2213 9.2237 13.7812 13.8096 15.6258 15.6386 17.5050 17.5142 17.9253 17.9647 20.9404 20.9984 23.8195 23.8454 24.1896 24.2252 26.4301 26.4898 k = 0.1461 0.2531 0.5158 ( 822 PWs) bands (ev): -41.2073 -41.2073 -17.1747 -17.1678 -14.8861 -14.8797 -14.4098 -14.3932 9.2427 9.2448 13.7335 13.7596 15.7270 15.7391 17.4922 17.5002 17.9276 17.9658 20.8177 20.8736 23.7967 23.8221 24.1618 24.1969 26.3223 26.3810 k = 0.1416 0.2452 0.5158 ( 822 PWs) bands (ev): -41.2103 -41.2103 -17.1702 -17.1639 -14.8810 -14.8749 -14.3975 -14.3820 9.2645 9.2665 13.6841 13.7080 15.8274 15.8388 17.4810 17.4880 17.9340 17.9710 20.6987 20.7523 23.7727 23.7973 24.1353 24.1701 26.2142 26.2718 k = 0.1370 0.2373 0.5158 ( 822 PWs) bands (ev): -41.2132 -41.2132 -17.1657 -17.1600 -14.8758 -14.8701 -14.3851 -14.3708 9.2867 9.2886 13.6331 13.6548 15.9268 15.9375 17.4716 17.4775 17.9445 17.9804 20.5834 20.6348 23.7475 23.7710 24.1099 24.1448 26.1059 26.1625 k = 0.1324 0.2294 0.5158 ( 826 PWs) bands (ev): -41.2163 -41.2163 -17.1614 -17.1562 -14.8707 -14.8653 -14.3729 -14.3597 9.3093 9.3110 13.5807 13.6004 16.0250 16.0351 17.4638 17.4687 17.9591 17.9938 20.4718 20.5211 23.7211 23.7434 24.0860 24.1210 25.9977 26.0532 k = 0.1279 0.2214 0.5158 ( 826 PWs) bands (ev): -41.2192 -41.2192 -17.1572 -17.1525 -14.8656 -14.8605 -14.3606 -14.3484 9.3322 9.3337 13.5271 13.5449 16.1219 16.1312 17.4578 17.4617 17.9774 18.0110 20.3641 20.4112 23.6936 23.7144 24.0635 24.0988 25.8899 25.9443 k = 0.1233 0.2135 0.5158 ( 826 PWs) bands (ev): -41.2220 -41.2220 -17.1531 -17.1488 -14.8605 -14.8558 -14.3483 -14.3372 9.3551 9.3565 13.4725 13.4885 16.2173 16.2258 17.4534 17.4564 17.9994 18.0319 20.2602 20.3052 23.6650 23.6843 24.0425 24.0784 25.7826 25.8358 k = 0.1187 0.2056 0.5158 ( 826 PWs) bands (ev): -41.2248 -41.2248 -17.1491 -17.1453 -14.8554 -14.8511 -14.3361 -14.3260 9.3782 9.3794 13.4172 13.4315 16.3109 16.3187 17.4506 17.4528 18.0249 18.0563 20.1603 20.2031 23.6354 23.6530 24.0233 24.0596 25.6761 25.7282 k = 0.1142 0.1977 0.5158 ( 826 PWs) bands (ev): -41.2276 -41.2276 -17.1453 -17.1418 -14.8505 -14.8465 -14.3240 -14.3148 9.4013 9.4024 13.3613 13.3741 16.4027 16.4096 17.4495 17.4509 18.0537 18.0840 20.0642 20.1050 23.6048 23.6207 24.0057 24.0426 25.5706 25.6215 k = 0.1096 0.1898 0.5158 ( 826 PWs) bands (ev): -41.2303 -41.2303 -17.1416 -17.1385 -14.8456 -14.8420 -14.3120 -14.3038 9.4242 9.4252 13.3051 13.3165 16.4923 16.4985 17.4499 17.4506 18.0855 18.1147 19.9721 20.0109 23.5733 23.5875 23.9900 24.0273 25.4664 25.5161 k = 0.1050 0.1819 0.5158 ( 826 PWs) bands (ev): -41.2330 -41.2330 -17.1380 -17.1353 -14.8408 -14.8375 -14.3001 -14.2928 9.4470 9.4479 13.2490 13.2589 16.5797 16.5850 17.4518 17.4518 18.1200 18.1481 19.8839 19.9207 23.5409 23.5534 23.9761 24.0138 25.3637 25.4122 k = 0.1005 0.1740 0.5158 ( 822 PWs) bands (ev): -41.2354 -41.2354 -17.1345 -17.1322 -14.8361 -14.8331 -14.2884 -14.2819 9.4696 9.4703 13.1930 13.2017 16.6646 16.6690 17.4546 17.4553 18.1570 18.1840 19.7997 19.8345 23.5077 23.5187 23.9641 24.0020 25.2628 25.3099 k = 0.0959 0.1661 0.5158 ( 822 PWs) bands (ev): -41.2380 -41.2380 -17.1313 -17.1292 -14.8316 -14.8289 -14.2770 -14.2712 9.4917 9.4924 13.1375 13.1451 16.7468 16.7504 17.4588 17.4601 18.1961 18.2221 19.7195 19.7524 23.4738 23.4833 23.9540 23.9920 25.1639 25.2096 k = 0.0913 0.1582 0.5158 ( 822 PWs) bands (ev): -41.2404 -41.2404 -17.1281 -17.1264 -14.8272 -14.8249 -14.2658 -14.2607 9.5135 9.5140 13.0828 13.0893 16.8262 16.8290 17.4644 17.4662 18.2371 18.2620 19.6433 19.6743 23.4394 23.4475 23.9458 23.9836 25.0672 25.1116 k = 0.0868 0.1503 0.5158 ( 822 PWs) bands (ev): -41.2428 -41.2428 -17.1252 -17.1236 -14.8230 -14.8209 -14.2548 -14.2504 9.5347 9.5352 13.0290 13.0346 16.9025 16.9045 17.4712 17.4735 18.2797 18.3034 19.5710 19.6002 23.4044 23.4113 23.9394 23.9769 24.9731 25.0160 k = 0.0822 0.1424 0.5158 ( 822 PWs) bands (ev): -41.2451 -41.2451 -17.1224 -17.1211 -14.8189 -14.8172 -14.2442 -14.2404 9.5554 9.5558 12.9765 12.9812 16.9757 16.9768 17.4792 17.4820 18.3234 18.3460 19.5028 19.5301 23.3692 23.3750 23.9347 23.9717 24.8817 24.9231 k = 0.0776 0.1345 0.5158 ( 822 PWs) bands (ev): -41.2473 -41.2473 -17.1197 -17.1186 -14.8151 -14.8136 -14.2339 -14.2307 9.5754 9.5757 12.9253 12.9293 17.0455 17.0459 17.4882 17.4914 18.3679 18.3893 19.4385 19.4640 23.3338 23.3386 23.9318 23.9680 24.7935 24.8332 k = 0.0731 0.1265 0.5158 ( 814 PWs) bands (ev): -41.2491 -41.2491 -17.1171 -17.1162 -14.8113 -14.8100 -14.2239 -14.2212 9.5947 9.5949 12.8759 12.8792 17.1114 17.1118 17.4982 17.5017 18.4128 18.4331 19.3783 19.4020 23.2985 23.3024 23.9304 23.9656 24.7085 24.7465 k = 0.0685 0.1186 0.5158 ( 816 PWs) bands (ev): -41.2511 -41.2511 -17.1148 -17.1141 -14.8078 -14.8068 -14.2144 -14.2121 9.6131 9.6133 12.8283 12.8311 17.1734 17.1744 17.5089 17.5128 18.4578 18.4768 19.3220 19.3440 23.2633 23.2665 23.9304 23.9645 24.6271 24.6633 k = 0.0639 0.1107 0.5158 ( 816 PWs) bands (ev): -41.2530 -41.2530 -17.1127 -17.1121 -14.8046 -14.8037 -14.2053 -14.2035 9.6307 9.6309 12.7828 12.7851 17.2316 17.2333 17.5203 17.5244 18.5023 18.5201 19.2698 19.2901 23.2287 23.2312 23.9318 23.9645 24.5496 24.5839 k = 0.0594 0.1028 0.5158 ( 816 PWs) bands (ev): -41.2548 -41.2548 -17.1107 -17.1102 -14.8015 -14.8008 -14.1967 -14.1952 9.6474 9.6475 12.7396 12.7414 17.2860 17.2882 17.5322 17.5364 18.5459 18.5625 19.2218 19.2403 23.1947 23.1966 23.9343 23.9655 24.4761 24.5085 k = 0.0548 0.0949 0.5158 ( 816 PWs) bands (ev): -41.2565 -41.2565 -17.1089 -17.1085 -14.7987 -14.7981 -14.1886 -14.1874 9.6630 9.6631 12.6989 12.7003 17.3364 17.3390 17.5444 17.5488 18.5882 18.6034 19.1778 19.1946 23.1616 23.1631 23.9377 23.9672 24.4071 24.4375 k = 0.0502 0.0870 0.5158 ( 820 PWs) bands (ev): -41.2582 -41.2582 -17.1072 -17.1069 -14.7961 -14.7957 -14.1810 -14.1801 9.6776 9.6777 12.6608 12.6618 17.3827 17.3857 17.5569 17.5612 18.6287 18.6425 19.1382 19.1532 23.1297 23.1308 23.9420 23.9696 24.3427 24.3709 k = 0.0457 0.0791 0.5158 ( 820 PWs) bands (ev): -41.2596 -41.2596 -17.1057 -17.1055 -14.7937 -14.7933 -14.1741 -14.1734 9.6911 9.6912 12.6254 12.6262 17.4249 17.4281 17.5694 17.5737 18.6667 18.6790 19.1029 19.1162 23.0993 23.1001 23.9468 23.9723 24.2831 24.3091 k = 0.0411 0.0712 0.5158 ( 820 PWs) bands (ev): -41.2609 -41.2609 -17.1043 -17.1042 -14.7915 -14.7913 -14.1676 -14.1671 9.7035 9.7036 12.5930 12.5936 17.4628 17.4660 17.5820 17.5860 18.7017 18.7124 19.0723 19.0837 23.0706 23.0712 23.9519 23.9753 24.2288 24.2524 k = 0.0365 0.0633 0.5158 ( 820 PWs) bands (ev): -41.2621 -41.2621 -17.1031 -17.1030 -14.7895 -14.7894 -14.1618 -14.1614 9.7147 9.7148 12.5636 12.5640 17.4963 17.4994 17.5944 17.5980 18.7330 18.7421 19.0465 19.0560 23.0440 23.0444 23.9572 23.9782 24.1798 24.2009 k = 0.0320 0.0554 0.5158 ( 812 PWs) bands (ev): -41.2628 -41.2628 -17.1019 -17.1018 -14.7877 -14.7876 -14.1565 -14.1562 9.7247 9.7247 12.5375 12.5377 17.5253 17.5280 17.6066 17.6097 18.7599 18.7672 19.0259 19.0334 23.0196 23.0199 23.9624 23.9808 24.1366 24.1550 k = 0.0274 0.0475 0.5158 ( 812 PWs) bands (ev): -41.2637 -41.2637 -17.1010 -17.1009 -14.7862 -14.7862 -14.1519 -14.1518 9.7334 9.7334 12.5145 12.5147 17.5498 17.5519 17.6186 17.6210 18.7818 18.7872 19.0106 19.0162 22.9979 22.9980 23.9672 23.9827 24.0994 24.1150 k = 0.0228 0.0395 0.5158 ( 818 PWs) bands (ev): -41.2647 -41.2647 -17.1003 -17.1002 -14.7850 -14.7850 -14.1482 -14.1481 9.7408 9.7408 12.4950 12.4951 17.5696 17.5711 17.6300 17.6317 18.7982 18.8018 19.0007 19.0044 22.9790 22.9791 23.9712 23.9836 24.0687 24.0811 k = 0.0183 0.0316 0.5158 ( 814 PWs) bands (ev): -41.2652 -41.2652 -17.0996 -17.0996 -14.7840 -14.7839 -14.1449 -14.1449 9.7469 9.7469 12.4789 12.4790 17.5849 17.5858 17.6406 17.6415 18.8093 18.8113 18.9956 18.9976 22.9631 22.9632 23.9740 23.9829 24.0451 24.0539 k = 0.0137 0.0237 0.5158 ( 816 PWs) bands (ev): -41.2658 -41.2658 -17.0991 -17.0991 -14.7832 -14.7832 -14.1425 -14.1425 9.7517 9.7517 12.4663 12.4663 17.5962 17.5966 17.6495 17.6500 18.8158 18.8167 18.9938 18.9947 22.9506 22.9506 23.9750 23.9800 24.0290 24.0340 k = 0.0091 0.0158 0.5158 ( 816 PWs) bands (ev): -41.2661 -41.2661 -17.0988 -17.0988 -14.7826 -14.7826 -14.1407 -14.1407 9.7551 9.7551 12.4573 12.4573 17.6038 17.6039 17.6564 17.6565 18.8191 18.8193 18.9939 18.9942 22.9415 22.9415 23.9739 23.9756 24.0199 24.0216 k = 0.0046 0.0079 0.5158 ( 816 PWs) bands (ev): -41.2663 -41.2663 -17.0986 -17.0986 -14.7823 -14.7823 -14.1396 -14.1396 9.7572 9.7572 12.4519 12.4519 17.6082 17.6082 17.6606 17.6607 18.8204 18.8204 18.9946 18.9946 22.9360 22.9360 23.9716 23.9718 24.0155 24.0157 k = 0.0000 0.0000 0.5158 ( 816 PWs) bands (ev): -41.2664 -41.2664 -17.0985 -17.0985 -14.7821 -14.7821 -14.1393 -14.1393 9.7579 9.7579 12.4500 12.4500 17.6096 17.6096 17.6621 17.6621 18.8207 18.8207 18.9949 18.9949 22.9341 22.9341 23.9704 23.9704 24.0142 24.0142 k = 0.5000 0.2887 0.5158 ( 836 PWs) bands (ev): -41.1506 -41.1506 -17.2753 -17.2753 -15.0286 -15.0286 -14.5414 -14.5414 8.7481 8.7481 13.7773 13.7773 15.4985 15.4985 15.9242 15.9242 20.4424 20.4424 23.0251 23.0251 23.8407 23.8407 25.8762 25.8762 28.0144 28.0144 k = 0.5000 0.2887 0.5066 ( 838 PWs) bands (ev): -41.1508 -41.1508 -17.2752 -17.2752 -15.0285 -15.0283 -14.5414 -14.5414 8.7483 8.7496 13.7719 13.7783 15.5001 15.5004 15.9198 15.9319 20.4385 20.4425 23.0239 23.0254 23.8279 23.8435 25.8674 25.8876 28.0087 28.0111 k = 0.5000 0.2887 0.4974 ( 832 PWs) bands (ev): -41.1507 -41.1507 -17.2747 -17.2746 -15.0277 -15.0274 -14.5414 -14.5413 8.7501 8.7527 13.7623 13.7749 15.5052 15.5059 15.9187 15.9429 20.4308 20.4387 23.0218 23.0249 23.8056 23.8364 25.8614 25.9013 27.9943 27.9990 k = 0.5000 0.2887 0.4882 ( 832 PWs) bands (ev): -41.1511 -41.1511 -17.2740 -17.2738 -15.0265 -15.0261 -14.5414 -14.5412 8.7536 8.7575 13.7486 13.7672 15.5139 15.5149 15.9210 15.9568 20.4192 20.4312 23.0189 23.0236 23.7743 23.8194 25.8581 25.9168 27.9711 27.9781 k = 0.5000 0.2887 0.4790 ( 832 PWs) bands (ev): -41.1515 -41.1515 -17.2730 -17.2728 -15.0249 -15.0243 -14.5414 -14.5412 8.7587 8.7639 13.7312 13.7553 15.5261 15.5274 15.9263 15.9734 20.4038 20.4197 23.0152 23.0213 23.7349 23.7933 25.8575 25.9338 27.9393 27.9487 k = 0.5000 0.2887 0.4698 ( 832 PWs) bands (ev): -41.1521 -41.1521 -17.2718 -17.2715 -15.0227 -15.0220 -14.5413 -14.5411 8.7654 8.7719 13.7103 13.7396 15.5418 15.5434 15.9344 15.9923 20.3846 20.4045 23.0106 23.0182 23.6883 23.7586 25.8593 25.9516 27.8992 27.9109 k = 0.5000 0.2887 0.4606 ( 836 PWs) bands (ev): -41.1530 -41.1530 -17.2703 -17.2699 -15.0202 -15.0193 -14.5413 -14.5411 8.7736 8.7814 13.6863 13.7202 15.5610 15.5630 15.9449 16.0130 20.3615 20.3853 23.0052 23.0141 23.6357 23.7165 25.8631 25.9697 27.8511 27.8650 k = 0.5000 0.2887 0.4514 ( 832 PWs) bands (ev): -41.1537 -41.1537 -17.2684 -17.2680 -15.0171 -15.0161 -14.5412 -14.5409 8.7833 8.7924 13.6596 13.6975 15.5838 15.5860 15.9574 16.0351 20.3347 20.3624 22.9990 23.0091 23.5782 23.6680 25.8685 25.9877 27.7952 27.8114 k = 0.5000 0.2887 0.4422 ( 832 PWs) bands (ev): -41.1547 -41.1547 -17.2663 -17.2659 -15.0136 -15.0124 -14.5410 -14.5407 8.7944 8.8049 13.6308 13.6720 15.6100 15.6126 15.9715 16.0580 20.3040 20.3356 22.9921 23.0031 23.5171 23.6143 25.8750 26.0052 27.7320 27.7504 k = 0.5000 0.2887 0.4329 ( 832 PWs) bands (ev): -41.1558 -41.1558 -17.2640 -17.2635 -15.0096 -15.0083 -14.5408 -14.5404 8.8069 8.8187 13.6001 13.6441 15.6396 15.6426 15.9865 16.0812 20.2696 20.3049 22.9843 22.9961 23.4537 23.5567 25.8823 26.0218 27.6617 27.6824 k = 0.5000 0.2887 0.4237 ( 828 PWs) bands (ev): -41.1569 -41.1569 -17.2615 -17.2609 -15.0052 -15.0038 -14.5404 -14.5400 8.8206 8.8338 13.5680 13.6143 15.6728 15.6760 16.0021 16.1043 20.2314 20.2704 22.9757 22.9879 23.3891 23.4966 25.8900 26.0373 27.5849 27.6077 k = 0.5000 0.2887 0.4145 ( 828 PWs) bands (ev): -41.1582 -41.1582 -17.2587 -17.2581 -15.0005 -14.9990 -14.5400 -14.5396 8.8355 8.8500 13.5349 13.5828 15.7093 15.7129 16.0177 16.1266 20.1894 20.2319 22.9664 22.9783 23.3247 23.4350 25.8977 26.0515 27.5019 27.5269 k = 0.5000 0.2887 0.4053 ( 832 PWs) bands (ev): -41.1598 -41.1598 -17.2559 -17.2552 -14.9955 -14.9938 -14.5395 -14.5390 8.8514 8.8674 13.5013 13.5503 15.7492 15.7532 16.0327 16.1477 20.1438 20.1896 22.9563 22.9672 23.2618 23.3732 25.9051 26.0642 27.4131 27.4402 k = 0.5000 0.2887 0.3961 ( 832 PWs) bands (ev): -41.1614 -41.1614 -17.2527 -17.2520 -14.9900 -14.9883 -14.5388 -14.5383 8.8683 8.8857 13.4675 13.5170 15.7925 15.7968 16.0467 16.1671 20.0944 20.1434 22.9455 22.9541 23.2019 23.3124 25.9122 26.0753 27.3189 27.3482 k = 0.5000 0.2887 0.3869 ( 828 PWs) bands (ev): -41.1629 -41.1629 -17.2494 -17.2486 -14.9842 -14.9824 -14.5379 -14.5374 8.8861 8.9049 13.4338 13.4834 15.8392 15.8438 16.0593 16.1845 20.0415 20.0933 22.9339 22.9384 23.1464 23.2535 25.9187 26.0849 27.2197 27.2511 k = 0.5000 0.2887 0.3777 ( 828 PWs) bands (ev): -41.1646 -41.1646 -17.2460 -17.2452 -14.9783 -14.9763 -14.5368 -14.5362 8.9045 8.9248 13.4006 13.4499 15.8891 15.8941 16.0701 16.1994 19.9849 20.0393 22.9195 22.9215 23.0971 23.1975 25.9244 26.0930 27.1160 27.1495 k = 0.5000 0.2887 0.3685 ( 828 PWs) bands (ev): -41.1665 -41.1665 -17.2425 -17.2416 -14.9721 -14.9700 -14.5354 -14.5349 8.9235 8.9453 13.3682 13.4168 15.9423 15.9476 16.0788 16.2115 19.9249 19.9816 22.8967 22.9084 23.0551 23.1454 25.9295 26.0995 27.0079 27.0437 k = 0.5000 0.2887 0.3592 ( 828 PWs) bands (ev): -41.1684 -41.1684 -17.2388 -17.2379 -14.9657 -14.9635 -14.5338 -14.5333 8.9430 8.9662 13.3370 13.3845 15.9986 16.0043 16.0850 16.2205 19.8614 19.9200 22.8704 22.8946 23.0210 23.0977 25.9337 26.1045 26.8960 26.9340 k = 0.5000 0.2887 0.3500 ( 828 PWs) bands (ev): -41.1704 -41.1704 -17.2351 -17.2342 -14.9591 -14.9569 -14.5319 -14.5314 8.9627 8.9874 13.3072 13.3533 16.0576 16.0640 16.0891 16.2264 19.7946 19.8548 22.8419 22.8800 22.9938 23.0551 25.9371 26.1082 26.7806 26.8208 k = 0.5000 0.2887 0.3408 ( 828 PWs) bands (ev): -41.1725 -41.1725 -17.2313 -17.2304 -14.9525 -14.9502 -14.5297 -14.5291 8.9826 9.0088 13.2791 13.3234 16.0874 16.1226 16.1262 16.2293 19.7247 19.7861 22.8136 22.8646 22.9718 23.0182 25.9397 26.1107 26.6619 26.7045 k = 0.5000 0.2887 0.3316 ( 828 PWs) bands (ev): -41.1746 -41.1746 -17.2275 -17.2265 -14.9459 -14.9435 -14.5271 -14.5265 9.0025 9.0302 13.2528 13.2952 16.0854 16.1879 16.1881 16.2322 19.6517 19.7139 22.7875 22.8485 22.9533 22.9874 25.9414 26.1119 26.5403 26.5855 k = 0.5000 0.2887 0.3224 ( 820 PWs) bands (ev): -41.1765 -41.1765 -17.2235 -17.2225 -14.9391 -14.9368 -14.5240 -14.5234 9.0222 9.0513 13.2288 13.2688 16.0798 16.2142 16.2568 16.2701 19.5758 19.6385 22.7649 22.8318 22.9373 22.9628 25.9423 26.1121 26.4162 26.4642 k = 0.5000 0.2887 0.3132 ( 828 PWs) bands (ev): -41.1790 -41.1790 -17.2197 -17.2187 -14.9326 -14.9302 -14.5207 -14.5201 9.0416 9.0721 13.2070 13.2446 16.0711 16.2083 16.3287 16.3394 19.4971 19.5600 22.7465 22.8144 22.9230 22.9445 25.9421 26.1110 26.2901 26.3411 k = 0.5000 0.2887 0.3040 ( 828 PWs) bands (ev): -41.1813 -41.1813 -17.2158 -17.2148 -14.9261 -14.9237 -14.5168 -14.5163 9.0605 9.0924 13.1878 13.2228 16.0593 16.1965 16.4037 16.4141 19.4160 19.4786 22.7324 22.7965 22.9105 22.9326 25.9403 26.1072 26.1640 26.2173 k = 0.5000 0.2887 0.2948 ( 824 PWs) bands (ev): -41.1835 -41.1835 -17.2119 -17.2108 -14.9198 -14.9173 -14.5124 -14.5119 9.0788 9.1121 13.1713 13.2034 16.0446 16.1808 16.4815 16.4921 19.3324 19.3945 22.7225 22.7780 22.8999 22.9270 25.9338 26.0276 26.0961 26.1112 k = 0.5000 0.2887 0.2856 ( 826 PWs) bands (ev): -41.1859 -41.1859 -17.2081 -17.2070 -14.9137 -14.9113 -14.5076 -14.5070 9.0963 9.1309 13.1576 13.1867 16.0272 16.1618 16.5622 16.5732 19.2466 19.3080 22.7159 22.7588 22.8917 22.9277 25.8972 25.9029 25.9977 26.1074 k = 0.5000 0.2887 0.2763 ( 826 PWs) bands (ev): -41.1883 -41.1883 -17.2043 -17.2032 -14.9078 -14.9054 -14.5022 -14.5017 9.1130 9.1488 13.1468 13.1729 16.0074 16.1398 16.6457 16.6572 19.1588 19.2192 22.7114 22.7388 22.8871 22.9346 25.7644 25.8050 25.9650 26.1043 k = 0.5000 0.2887 0.2671 ( 824 PWs) bands (ev): -41.1906 -41.1906 -17.2006 -17.1995 -14.9022 -14.8998 -14.4963 -14.4958 9.1286 9.1655 13.1390 13.1619 15.9855 16.1152 16.7319 16.7439 19.0691 19.1284 22.7073 22.7180 22.8872 22.9474 25.6305 25.6806 25.9580 26.1011 k = 0.5000 0.2887 0.2579 ( 824 PWs) bands (ev): -41.1930 -41.1930 -17.1969 -17.1958 -14.8969 -14.8946 -14.4899 -14.4895 9.1432 9.1811 13.1342 13.1539 15.9619 16.0884 16.8206 16.8332 18.9778 19.0357 22.6962 22.7020 22.8935 22.9657 25.4960 25.5513 25.9555 26.0980 k = 0.5000 0.2887 0.2487 ( 828 PWs) bands (ev): -41.1955 -41.1955 -17.1934 -17.1923 -14.8920 -14.8897 -14.4831 -14.4827 9.1565 9.1953 13.1324 13.1488 15.9368 16.0599 16.9119 16.9252 18.8849 18.9414 22.6732 22.6940 22.9067 22.9894 25.3611 25.4203 25.9547 26.0949 k = 0.5000 0.2887 0.2395 ( 828 PWs) bands (ev): -41.1979 -41.1979 -17.1899 -17.1889 -14.8874 -14.8852 -14.4757 -14.4754 9.1686 9.2082 13.1336 13.1468 15.9109 16.0301 17.0056 17.0196 18.7905 18.8457 22.6491 22.6828 22.9271 23.0178 25.2262 25.2889 25.9547 26.0921 k = 0.5000 0.2887 0.2303 ( 832 PWs) bands (ev): -41.2004 -41.2004 -17.1866 -17.1856 -14.8833 -14.8811 -14.4679 -14.4676 9.1794 9.2195 13.1377 13.1477 15.8846 15.9996 17.1016 17.1164 18.6950 18.7487 22.6236 22.6682 22.9540 23.0506 25.0916 25.1577 25.9555 26.0895 k = 0.5000 0.2887 0.2211 ( 834 PWs) bands (ev): -41.2029 -41.2029 -17.1834 -17.1823 -14.8795 -14.8774 -14.4597 -14.4595 9.1888 9.2294 13.1446 13.1514 15.8582 15.9689 17.1998 17.2155 18.5983 18.6506 22.5967 22.6505 22.9866 23.0874 24.9578 25.0272 25.9570 26.0874 k = 0.5000 0.2887 0.2119 ( 832 PWs) bands (ev): -41.2051 -41.2051 -17.1802 -17.1792 -14.8760 -14.8740 -14.4510 -14.4509 9.1970 9.2378 13.1541 13.1579 15.8324 15.9384 17.3001 17.3168 18.5006 18.5516 22.5680 22.6299 23.0240 23.1274 24.8253 24.8978 25.9594 26.0859 k = 0.5000 0.2887 0.2027 ( 832 PWs) bands (ev): -41.2074 -41.2074 -17.1772 -17.1762 -14.8729 -14.8710 -14.4421 -14.4420 9.2037 9.2447 13.1662 13.1669 15.8076 15.9089 17.4022 17.4202 18.4021 18.4519 22.5374 22.6065 23.0654 23.1703 24.6944 24.7700 25.9627 26.0849 k = 0.5000 0.2887 0.1934 ( 832 PWs) bands (ev): -41.2096 -41.2096 -17.1743 -17.1734 -14.8702 -14.8684 -14.4329 -14.4329 9.2092 9.2500 13.1782 13.1804 15.7844 15.8807 17.5059 17.5254 18.3028 18.3518 22.5046 22.5801 23.1100 23.2155 24.5657 24.6444 25.9669 26.0848 k = 0.5000 0.2887 0.1842 ( 832 PWs) bands (ev): -41.2118 -41.2118 -17.1716 -17.1706 -14.8678 -14.8660 -14.4236 -14.4236 9.2135 9.2539 13.1917 13.1966 15.7633 15.8546 17.6107 17.6324 18.2028 18.2517 22.4693 22.5507 23.1571 23.2625 24.4399 24.5214 25.9722 26.0854 k = 0.5000 0.2887 0.1750 ( 832 PWs) bands (ev): -41.2139 -41.2139 -17.1689 -17.1680 -14.8657 -14.8640 -14.4141 -14.4141 9.2165 9.2565 13.2069 13.2144 15.7447 15.8309 17.7157 17.7410 18.1024 18.1526 22.4312 22.5179 23.2060 23.3106 24.3177 24.4018 25.9786 26.0870 k = 0.5000 0.2887 0.1658 ( 828 PWs) bands (ev): -41.2157 -41.2157 -17.1664 -17.1655 -14.8638 -14.8623 -14.4046 -14.4045 9.2185 9.2577 13.2237 13.2336 15.7293 15.8104 17.8168 17.8510 18.0015 18.0584 22.3900 22.4813 23.2561 23.3593 24.1997 24.2860 25.9862 26.0895 k = 0.5000 0.2887 0.1566 ( 824 PWs) bands (ev): -41.2176 -41.2176 -17.1640 -17.1632 -14.8623 -14.8608 -14.3950 -14.3949 9.2195 9.2578 13.2417 13.2537 15.7173 15.7934 17.8793 17.9001 17.9625 18.0038 22.3453 22.4405 23.3067 23.4082 24.0869 24.1749 25.9949 26.0931 k = 0.5000 0.2887 0.1474 ( 820 PWs) bands (ev): -41.2193 -41.2193 -17.1617 -17.1609 -14.8609 -14.8595 -14.3856 -14.3855 9.2196 9.2568 13.2606 13.2745 15.7094 15.7805 17.7990 17.8195 18.0724 18.0746 22.2967 22.3951 23.3572 23.4564 23.9803 24.0692 26.0049 26.0977 k = 0.5000 0.2887 0.1382 ( 820 PWs) bands (ev): -41.2211 -41.2211 -17.1597 -17.1589 -14.8598 -14.8586 -14.3764 -14.3762 9.2190 9.2548 13.2800 13.2955 15.7059 15.7721 17.6977 17.7245 18.1769 18.1874 22.2441 22.3446 23.4067 23.5034 23.8809 23.9696 26.0160 26.1032 k = 0.5000 0.2887 0.1290 ( 820 PWs) bands (ev): -41.2229 -41.2229 -17.1577 -17.1570 -14.8590 -14.8578 -14.3674 -14.3672 9.2177 9.2521 13.2996 13.3163 15.7072 15.7687 17.5965 17.6249 18.2866 18.3006 22.1871 22.2887 23.4542 23.5482 23.7901 23.8773 26.0283 26.1098 k = 0.5000 0.2887 0.1197 ( 820 PWs) bands (ev): -41.2245 -41.2245 -17.1560 -17.1553 -14.8583 -14.8572 -14.3587 -14.3585 9.2159 9.2486 13.3190 13.3367 15.7136 15.7707 17.4957 17.5243 18.3977 18.4138 22.1257 22.2272 23.4968 23.5887 23.7108 23.7942 26.0416 26.1173 k = 0.5000 0.2887 0.1105 ( 820 PWs) bands (ev): -41.2260 -41.2260 -17.1543 -17.1537 -14.8577 -14.8567 -14.3503 -14.3501 9.2137 9.2446 13.3379 13.3562 15.7254 15.7782 17.3952 17.4236 18.5089 18.5265 22.0601 22.1601 23.5249 23.6170 23.6527 23.7285 26.0558 26.1255 k = 0.5000 0.2887 0.1013 ( 818 PWs) bands (ev): -41.2274 -41.2274 -17.1528 -17.1522 -14.8572 -14.8563 -14.3424 -14.3422 9.2113 9.2401 13.3561 13.3747 15.7428 15.7916 17.2954 17.3234 18.6194 18.6381 21.9908 22.0878 23.5123 23.6017 23.6419 23.7111 26.0708 26.1344 k = 0.5000 0.2887 0.0921 ( 818 PWs) bands (ev): -41.2287 -41.2287 -17.1514 -17.1509 -14.8569 -14.8561 -14.3349 -14.3347 9.2088 9.2354 13.3734 13.3918 15.7659 15.8111 17.1963 17.2239 18.7285 18.7480 21.9182 22.0112 23.4686 23.5502 23.6681 23.7345 26.0862 26.1438 k = 0.5000 0.2887 0.0829 ( 818 PWs) bands (ev): -41.2299 -41.2299 -17.1502 -17.1497 -14.8566 -14.8559 -14.3280 -14.3278 9.2062 9.2306 13.3895 13.4074 15.7948 15.8366 17.0983 17.1253 18.8353 18.8554 21.8435 21.9311 23.4224 23.4963 23.7025 23.7645 26.1019 26.1533 k = 0.5000 0.2887 0.0737 ( 822 PWs) bands (ev): -41.2311 -41.2311 -17.1491 -17.1487 -14.8565 -14.8558 -14.3218 -14.3216 9.2037 9.2257 13.4043 13.4213 15.8295 15.8683 17.0014 17.0280 18.9389 18.9591 21.7679 21.8492 23.3808 23.4471 23.7369 23.7935 26.1175 26.1629 k = 0.5000 0.2887 0.0645 ( 822 PWs) bands (ev): -41.2321 -41.2321 -17.1482 -17.1478 -14.8564 -14.8558 -14.3161 -14.3159 9.2015 9.2210 13.4176 13.4334 15.8699 15.9061 16.9060 16.9321 19.0380 19.0580 21.6930 21.7670 23.3454 23.4037 23.7692 23.8197 26.1327 26.1721 k = 0.5000 0.2887 0.0553 ( 822 PWs) bands (ev): -41.2329 -41.2329 -17.1473 -17.1470 -14.8563 -14.8558 -14.3110 -14.3109 9.1996 9.2164 13.4294 13.4436 15.9159 15.9497 16.8123 16.8380 19.1311 19.1504 21.6207 21.6867 23.3161 23.3663 23.7985 23.8425 26.1472 26.1806 k = 0.5000 0.2887 0.0461 ( 820 PWs) bands (ev): -41.2336 -41.2336 -17.1466 -17.1463 -14.8562 -14.8558 -14.3067 -14.3066 9.1980 9.2122 13.4396 13.4520 15.9673 15.9991 16.7205 16.7459 19.2166 19.2346 21.5535 21.6105 23.2928 23.3346 23.8244 23.8615 26.1606 26.1882 k = 0.5000 0.2887 0.0368 ( 816 PWs) bands (ev): -41.2340 -41.2340 -17.1459 -17.1457 -14.8561 -14.8557 -14.3031 -14.3030 9.1969 9.2083 13.4483 13.4585 16.0238 16.0539 16.6309 16.6562 19.2922 19.3081 21.4939 21.5411 23.2750 23.3085 23.8466 23.8765 26.1726 26.1945 k = 0.5000 0.2887 0.0276 ( 816 PWs) bands (ev): -41.2345 -41.2345 -17.1455 -17.1453 -14.8560 -14.8558 -14.3003 -14.3002 9.1963 9.2049 13.4554 13.4632 16.0851 16.1137 16.5439 16.5691 19.3555 19.3685 21.4448 21.4813 23.2625 23.2876 23.8649 23.8875 26.1828 26.1991 k = 0.5000 0.2887 0.0184 ( 816 PWs) bands (ev): -41.2348 -41.2348 -17.1451 -17.1450 -14.8560 -14.8558 -14.2982 -14.2982 9.1963 9.2020 13.4608 13.4661 16.1507 16.1780 16.4602 16.4852 19.4040 19.4133 21.4090 21.4339 23.2550 23.2717 23.8792 23.8943 26.1911 26.2019 k = 0.5000 0.2887 0.0092 ( 816 PWs) bands (ev): -41.2350 -41.2350 -17.1449 -17.1449 -14.8560 -14.8559 -14.2970 -14.2970 9.1968 9.1997 13.4646 13.4673 16.2196 16.2449 16.3813 16.4056 19.4354 19.4402 21.3889 21.4016 23.2522 23.2605 23.8893 23.8969 26.1972 26.2026 k = 0.5000 0.2887-0.0000 ( 812 PWs) bands (ev): -41.2349 -41.2349 -17.1448 -17.1448 -14.8559 -14.8559 -14.2965 -14.2965 9.1980 9.1980 13.4668 13.4668 16.2817 16.2817 16.3402 16.3402 19.4477 19.4477 21.3863 21.3863 23.2541 23.2541 23.8952 23.8952 26.2010 26.2010 k = 0.3333 0.5774-0.0000 ( 804 PWs) bands (ev): -41.2194 -41.2194 -17.1783 -17.1341 -14.9426 -14.8647 -14.3851 -14.3657 9.6780 9.8280 14.1136 14.1158 15.4831 15.6528 16.4102 16.4531 19.9504 20.0466 20.3714 20.5061 21.6219 21.6300 22.3200 22.5032 27.8733 27.9600 k = 0.3333 0.5774 0.0092 ( 807 PWs) bands (ev): -41.2194 -41.2194 -17.1784 -17.1342 -14.9425 -14.8646 -14.3857 -14.3662 9.6776 9.8275 14.1165 14.1187 15.4803 15.6498 16.4076 16.4504 19.9303 20.0105 20.4126 20.5309 21.6228 21.6310 22.3238 22.5069 27.8713 27.9580 k = 0.3333 0.5774 0.0184 ( 813 PWs) bands (ev): -41.2194 -41.2194 -17.1787 -17.1345 -14.9423 -14.8644 -14.3872 -14.3677 9.6764 9.8260 14.1251 14.1273 15.4717 15.6408 16.3998 16.4425 19.8786 19.9318 20.5063 20.5970 21.6256 21.6340 22.3351 22.5177 27.8654 27.9520 k = 0.3333 0.5774 0.0276 ( 810 PWs) bands (ev): -41.2190 -41.2190 -17.1789 -17.1348 -14.9417 -14.8639 -14.3896 -14.3701 9.6745 9.8236 14.1395 14.1417 15.4576 15.6258 16.3869 16.4294 19.8099 19.8412 20.6217 20.6897 21.6304 21.6391 22.3539 22.5358 27.8556 27.9422 k = 0.3333 0.5774 0.0368 ( 810 PWs) bands (ev): -41.2185 -41.2185 -17.1793 -17.1352 -14.9410 -14.8631 -14.3930 -14.3735 9.6718 9.8203 14.1596 14.1618 15.4378 15.6049 16.3691 16.4113 19.7344 19.7496 20.7482 20.7985 21.6370 21.6463 22.3798 22.5607 27.8419 27.9285 k = 0.3333 0.5774 0.0461 ( 810 PWs) bands (ev): -41.2179 -41.2179 -17.1798 -17.1358 -14.9400 -14.8622 -14.3974 -14.3778 9.6684 9.8160 14.1854 14.1875 15.4126 15.5783 16.3465 16.3884 19.6576 19.6606 20.8817 20.9179 21.6455 21.6556 22.4128 22.5925 27.8245 27.9111 k = 0.3333 0.5774 0.0553 ( 810 PWs) bands (ev): -41.2172 -41.2172 -17.1805 -17.1365 -14.9388 -14.8611 -14.4027 -14.3831 9.6642 9.8107 14.2168 14.2189 15.3821 15.5460 16.3194 16.3610 19.5757 19.5823 21.0207 21.0447 21.6559 21.6672 22.4525 22.6306 27.8035 27.8900 k = 0.3333 0.5774 0.0645 ( 813 PWs) bands (ev): -41.2165 -41.2165 -17.1812 -17.1374 -14.9374 -14.8598 -14.4090 -14.3894 9.6592 9.8045 14.2538 14.2559 15.3465 15.5083 16.2882 16.3294 19.4958 19.5099 21.1641 21.1770 21.6682 21.6813 22.4985 22.6748 27.7790 27.8654 k = 0.3333 0.5774 0.0737 ( 813 PWs) bands (ev): -41.2155 -41.2155 -17.1821 -17.1384 -14.9358 -14.8583 -14.4161 -14.3964 9.6535 9.7974 14.2963 14.2983 15.3059 15.4652 16.2530 16.2940 19.4210 19.4415 21.3115 21.3130 21.6823 21.6985 22.5504 22.7248 27.7512 27.8374 k = 0.3333 0.5774 0.0829 ( 813 PWs) bands (ev): -41.2145 -41.2145 -17.1831 -17.1395 -14.9340 -14.8565 -14.4241 -14.4043 9.6470 9.7893 14.3442 14.3461 15.2607 15.4172 16.2144 16.2550 19.3518 19.3774 21.4504 21.4623 21.6983 21.7205 22.6078 22.7800 27.7202 27.8063 k = 0.3333 0.5774 0.0921 ( 813 PWs) bands (ev): -41.2133 -41.2133 -17.1842 -17.1408 -14.9321 -14.8547 -14.4329 -14.4130 9.6398 9.7803 14.3974 14.3992 15.2110 15.3644 16.1726 16.2130 19.2879 19.3180 21.5822 21.6162 21.7160 21.7536 22.6703 22.8401 27.6863 27.7721 k = 0.3333 0.5774 0.1013 ( 822 PWs) bands (ev): -41.2123 -41.2123 -17.1856 -17.1423 -14.9300 -14.8527 -14.4426 -14.4226 9.6319 9.7703 14.4558 14.4575 15.1571 15.3072 16.1280 16.1682 19.2296 19.2632 21.6834 21.7356 21.7729 21.8225 22.7374 22.9046 27.6496 27.7351 k = 0.3333 0.5774 0.1105 ( 828 PWs) bands (ev): -41.2111 -41.2111 -17.1870 -17.1439 -14.9277 -14.8505 -14.4531 -14.4330 9.6232 9.7595 14.5194 14.5209 15.0995 15.2459 16.0810 16.1210 19.1765 19.2132 21.7356 21.7570 21.9321 21.9450 22.8086 22.9731 27.6105 27.6955 k = 0.3333 0.5774 0.1197 ( 828 PWs) bands (ev): -41.2096 -41.2096 -17.1885 -17.1456 -14.9252 -14.8481 -14.4641 -14.4439 9.6138 9.7478 14.5878 14.5890 15.0386 15.1808 16.0320 16.0720 19.1286 19.1679 21.7689 21.7801 22.0909 22.0936 22.8835 23.0451 27.5690 27.6536 k = 0.3333 0.5774 0.1290 ( 828 PWs) bands (ev): -41.2080 -41.2080 -17.1901 -17.1474 -14.9225 -14.8455 -14.4757 -14.4554 9.6037 9.7352 14.6611 14.6616 14.9749 15.1123 15.9814 16.0213 19.0858 19.1272 21.7982 21.8050 22.2447 22.2571 22.9616 23.1201 27.5254 27.6094 k = 0.3333 0.5774 0.1382 ( 828 PWs) bands (ev): -41.2063 -41.2063 -17.1918 -17.1494 -14.9196 -14.8428 -14.4880 -14.4676 9.5929 9.7217 14.7373 14.7391 14.9099 15.0408 15.9295 15.9695 19.0477 19.0909 21.8273 21.8315 22.4027 22.4225 23.0426 23.1976 27.4800 27.5632 k = 0.3333 0.5774 0.1474 ( 828 PWs) bands (ev): -41.2045 -41.2045 -17.1937 -17.1515 -14.9167 -14.8400 -14.5008 -14.4802 9.5814 9.7074 14.7995 14.8214 14.8605 14.9667 15.8766 15.9167 19.0142 19.0588 21.8571 21.8597 22.5636 22.5893 23.1259 23.2773 27.4330 27.5153 k = 0.3333 0.5774 0.1566 ( 828 PWs) bands (ev): -41.2026 -41.2026 -17.1957 -17.1537 -14.9135 -14.8370 -14.5141 -14.4934 9.5692 9.6923 14.7566 14.8904 14.9080 14.9185 15.8233 15.8634 18.9849 19.0307 21.8880 21.8895 22.7266 22.7575 23.2112 23.3587 27.3846 27.4659 k = 0.3333 0.5774 0.1658 ( 828 PWs) bands (ev): -41.2006 -41.2006 -17.1978 -17.1561 -14.9103 -14.8339 -14.5279 -14.5071 9.5564 9.6765 14.6856 14.8121 14.9985 15.0069 15.7698 15.8098 18.9597 19.0065 21.9202 21.9209 22.8914 22.9266 23.2983 23.4414 27.3350 27.4152 k = 0.3333 0.5774 0.1750 ( 831 PWs) bands (ev): -41.1987 -41.1987 -17.2001 -17.1587 -14.9069 -14.8307 -14.5421 -14.5211 9.5430 9.6598 14.6112 14.7324 15.0926 15.1013 15.7167 15.7562 18.9383 18.9858 21.9537 21.9537 23.0578 23.0962 23.3870 23.5249 27.2846 27.3634 k = 0.3333 0.5774 0.1842 ( 831 PWs) bands (ev): -41.1966 -41.1966 -17.2025 -17.1613 -14.9034 -14.8274 -14.5566 -14.5355 9.5290 9.6425 14.5352 14.6515 15.1894 15.2001 15.6647 15.7029 18.9203 18.9685 21.9881 21.9886 23.2255 23.2654 23.4778 23.6089 27.2335 27.3107 k = 0.3333 0.5774 0.1934 ( 831 PWs) bands (ev): -41.1945 -41.1945 -17.2050 -17.1641 -14.8998 -14.8239 -14.5714 -14.5501 9.5144 9.6245 14.4582 14.5699 15.2872 15.3026 15.6156 15.6500 18.9056 18.9543 22.0239 22.0248 23.3943 23.4314 23.5728 23.6930 27.1820 27.2574 k = 0.3333 0.5774 0.2027 ( 825 PWs) bands (ev): -41.1920 -41.1920 -17.2075 -17.1669 -14.8961 -14.8204 -14.5863 -14.5649 9.4994 9.6058 14.3806 14.4877 15.3798 15.4087 15.5758 15.5978 18.8940 18.9430 22.0610 22.0623 23.5640 23.5844 23.6815 23.7768 27.1303 27.2036 k = 0.3333 0.5774 0.2119 ( 825 PWs) bands (ev): -41.1898 -41.1898 -17.2103 -17.1700 -14.8923 -14.8168 -14.6015 -14.5799 9.4838 9.5866 14.3027 14.4054 15.4348 15.5179 15.5465 15.5774 18.8851 18.9345 22.0994 22.1010 23.7049 23.7346 23.8229 23.8601 27.0786 27.1497 k = 0.3333 0.5774 0.2211 ( 819 PWs) bands (ev): -41.1872 -41.1872 -17.2131 -17.1731 -14.8884 -14.8131 -14.6167 -14.5949 9.4678 9.5668 14.2248 14.3232 15.4181 15.4963 15.6301 15.6545 18.8787 18.9284 22.1391 22.1409 23.8023 23.9057 23.9423 23.9869 27.0271 27.0957 k = 0.3333 0.5774 0.2303 ( 819 PWs) bands (ev): -41.1849 -41.1849 -17.2161 -17.1764 -14.8846 -14.8094 -14.6321 -14.6101 9.4513 9.5466 14.1473 14.2414 15.3769 15.4472 15.7449 15.7599 18.8746 18.9246 22.1798 22.1819 23.8922 24.0233 24.0774 24.1578 26.9762 27.0419 k = 0.3333 0.5774 0.2395 ( 831 PWs) bands (ev): -41.1830 -41.1830 -17.2193 -17.1800 -14.8808 -14.8058 -14.6476 -14.6255 9.4345 9.5259 14.0703 14.1603 15.3313 15.3994 15.8621 15.8732 18.8726 18.9228 22.2216 22.2240 23.9786 24.1027 24.2495 24.3310 26.9259 26.9884 k = 0.3333 0.5774 0.2487 ( 831 PWs) bands (ev): -41.1807 -41.1807 -17.2225 -17.1835 -14.8769 -14.8021 -14.6630 -14.6406 9.4174 9.5049 13.9940 14.0800 15.2850 15.3531 15.9813 15.9905 18.8725 18.9230 22.2644 22.2670 24.0625 24.1803 24.4218 24.5052 26.8766 26.9356 k = 0.3333 0.5774 0.2579 ( 831 PWs) bands (ev): -41.1783 -41.1783 -17.2258 -17.1871 -14.8729 -14.7983 -14.6782 -14.6557 9.4000 9.4837 13.9188 14.0009 15.2394 15.3083 16.1023 16.1104 18.8741 18.9248 22.3081 22.3109 24.1441 24.2557 24.5942 24.6798 26.8284 26.8836 k = 0.3333 0.5774 0.2671 ( 831 PWs) bands (ev): -41.1759 -41.1759 -17.2291 -17.1907 -14.8690 -14.7946 -14.6933 -14.6706 9.3825 9.4622 13.8447 13.9231 15.1948 15.2650 16.2247 16.2322 18.8772 18.9282 22.3525 22.3555 24.2234 24.3287 24.7667 24.8545 26.7816 26.8326 k = 0.3333 0.5774 0.2763 ( 837 PWs) bands (ev): -41.1738 -41.1738 -17.2326 -17.1946 -14.8651 -14.7909 -14.7083 -14.6854 9.3647 9.4405 13.7721 13.8468 15.1516 15.2234 16.3482 16.3553 18.8817 18.9329 22.3976 22.4008 24.3003 24.3991 24.9390 25.0289 26.7363 26.7827 k = 0.3333 0.5774 0.2856 ( 837 PWs) bands (ev): -41.1715 -41.1715 -17.2361 -17.1984 -14.8611 -14.7871 -14.7230 -14.6999 9.3469 9.4188 13.7010 13.7721 15.1099 15.1835 16.4725 16.4793 18.8874 18.9389 22.4433 22.4466 24.3745 24.4666 25.1112 25.2030 26.6928 26.7343 k = 0.3333 0.5774 0.2948 ( 831 PWs) bands (ev): -41.1689 -41.1689 -17.2396 -17.2021 -14.8571 -14.7833 -14.7373 -14.7140 9.3291 9.3971 13.6316 13.6993 15.0697 15.1453 16.5971 16.6038 18.8940 18.9459 22.4893 22.4928 24.4460 24.5310 25.2830 25.3765 26.6513 26.6876 k = 0.3333 0.5774 0.3040 ( 831 PWs) bands (ev): -41.1666 -41.1666 -17.2431 -17.2060 -14.8533 -14.7797 -14.7514 -14.7279 9.3113 9.3755 13.5641 13.6285 15.0312 15.1089 16.7216 16.7284 18.9016 18.9538 22.5357 22.5393 24.5146 24.5921 25.4544 25.5492 26.6120 26.6427 k = 0.3333 0.5774 0.3132 ( 831 PWs) bands (ev): -41.1643 -41.1643 -17.2467 -17.2099 -14.8495 -14.7761 -14.7651 -14.7415 9.2937 9.3540 13.4986 13.5599 14.9944 15.0742 16.8457 16.8526 18.9099 18.9625 22.5822 22.5860 24.5801 24.6496 25.6253 25.7208 26.5750 26.6002 k = 0.3333 0.5774 0.3224 ( 831 PWs) bands (ev): -41.1621 -41.1621 -17.2503 -17.2138 -14.8458 -14.7785 -14.7725 -14.7546 9.2762 9.3329 13.4352 13.4935 14.9594 15.0413 16.9690 16.9760 18.9188 18.9718 22.6286 22.6327 24.6424 24.7036 25.7955 25.8905 26.5405 26.5606 k = 0.3333 0.5774 0.3316 ( 831 PWs) bands (ev): -41.1599 -41.1599 -17.2539 -17.2177 -14.8422 -14.7914 -14.7691 -14.7674 9.2589 9.3120 13.3741 13.4295 14.9261 15.0102 17.0910 17.0982 18.9281 18.9817 22.6750 22.6792 24.7014 24.7537 25.9649 26.0571 26.5087 26.5254 k = 0.3333 0.5774 0.3408 ( 831 PWs) bands (ev): -41.1578 -41.1578 -17.2574 -17.2216 -14.8386 -14.8038 -14.7796 -14.7657 9.2420 9.2915 13.3154 13.3680 14.8946 14.9808 17.2112 17.2188 18.9378 18.9920 22.7209 22.7253 24.7569 24.7999 26.1335 26.2156 26.4796 26.4994 k = 0.3333 0.5774 0.3500 ( 831 PWs) bands (ev): -41.1557 -41.1557 -17.2610 -17.2254 -14.8352 -14.8158 -14.7914 -14.7624 9.2254 9.2715 13.2591 13.3092 14.8649 14.9532 17.3293 17.3372 18.9478 19.0025 22.7664 22.7710 24.8089 24.8422 26.3010 26.3396 26.4534 26.5091 k = 0.3333 0.5774 0.3592 ( 831 PWs) bands (ev): -41.1537 -41.1537 -17.2644 -17.2291 -14.8319 -14.8272 -14.8027 -14.7593 9.2093 9.2521 13.2054 13.2530 14.8369 14.9273 17.4446 17.4530 18.9578 19.0132 22.8111 22.8159 24.8573 24.8804 26.3699 26.4302 26.4673 26.6136 k = 0.3333 0.5774 0.3685 ( 837 PWs) bands (ev): -41.1521 -41.1521 -17.2679 -17.2328 -14.8381 -14.8288 -14.8135 -14.7563 9.1937 9.2334 13.1544 13.1996 14.8107 14.9031 17.5569 17.5657 18.9679 19.0240 22.8549 22.8599 24.9019 24.9147 26.3549 26.4098 26.6322 26.7644 k = 0.3333 0.5774 0.3777 ( 837 PWs) bands (ev): -41.1502 -41.1502 -17.2711 -17.2364 -14.8485 -14.8257 -14.8237 -14.7534 9.1787 9.2153 13.1060 13.1491 14.7863 14.8806 17.6655 17.6749 18.9779 19.0348 22.8977 22.9029 24.9429 24.9451 26.3328 26.3923 26.7957 26.9232 k = 0.3333 0.5774 0.3869 ( 837 PWs) bands (ev): -41.1485 -41.1485 -17.2743 -17.2398 -14.8582 -14.8333 -14.8228 -14.7507 9.1643 9.1981 13.0605 13.1015 14.7635 14.8598 17.7700 17.7800 18.9877 19.0455 22.9391 22.9445 24.9717 24.9801 26.3105 26.3775 26.9573 27.0829 k = 0.3333 0.5774 0.3961 ( 837 PWs) bands (ev): -41.1469 -41.1469 -17.2773 -17.2430 -14.8674 -14.8423 -14.8201 -14.7481 9.1506 9.1817 13.0178 13.0569 14.7425 14.8405 17.8699 17.8806 18.9972 19.0560 22.9789 22.9846 24.9948 25.0137 26.2897 26.3653 27.1169 27.2414 k = 0.3333 0.5774 0.4053 ( 834 PWs) bands (ev): -41.1452 -41.1452 -17.2802 -17.2461 -14.8758 -14.8506 -14.8175 -14.7456 9.1377 9.1662 12.9781 13.0154 14.7232 14.8229 17.9646 17.9761 19.0064 19.0662 23.0170 23.0229 25.0145 25.0436 26.2709 26.3556 27.2742 27.3980 k = 0.3333 0.5774 0.4145 ( 834 PWs) bands (ev): -41.1438 -41.1438 -17.2829 -17.2490 -14.8837 -14.8584 -14.8150 -14.7433 9.1256 9.1518 12.9413 12.9770 14.7055 14.8068 18.0538 18.0662 19.0152 19.0761 23.0532 23.0593 25.0310 25.0701 26.2542 26.3481 27.4286 27.5518 k = 0.3333 0.5774 0.4237 ( 834 PWs) bands (ev): -41.1424 -41.1424 -17.2855 -17.2518 -14.8910 -14.8655 -14.8128 -14.7412 9.1144 9.1384 12.9076 12.9418 14.6895 14.7922 18.1369 18.1502 19.0234 19.0855 23.0871 23.0934 25.0448 25.0932 26.2398 26.3425 27.5798 27.7021 k = 0.3333 0.5774 0.4329 ( 834 PWs) bands (ev): -41.1412 -41.1412 -17.2878 -17.2543 -14.8976 -14.8720 -14.8108 -14.7392 9.1040 9.1261 12.8770 12.9098 14.6750 14.7791 18.2135 18.2279 19.0311 19.0945 23.1186 23.1251 25.0560 25.1132 26.2275 26.3385 27.7270 27.8483 k = 0.3333 0.5774 0.4422 ( 834 PWs) bands (ev): -41.1401 -41.1401 -17.2900 -17.2566 -14.9035 -14.8778 -14.8089 -14.7375 9.0947 9.1149 12.8494 12.8810 14.6622 14.7675 18.2831 18.2987 19.0381 19.1028 23.1474 23.1542 25.0651 25.1302 26.2171 26.3359 27.8693 27.9893 k = 0.3333 0.5774 0.4514 ( 834 PWs) bands (ev): -41.1391 -41.1391 -17.2919 -17.2587 -14.9087 -14.8830 -14.8073 -14.7359 9.0863 9.1050 12.8251 12.8556 14.6509 14.7573 18.3455 18.3622 19.0444 19.1105 23.1734 23.1804 25.0723 25.1444 26.2087 26.3344 28.0056 28.1238 k = 0.3333 0.5774 0.4606 ( 834 PWs) bands (ev): -41.1383 -41.1383 -17.2936 -17.2605 -14.9133 -14.8875 -14.8059 -14.7346 9.0790 9.0962 12.8039 12.8335 14.6412 14.7485 18.4001 18.4180 19.0500 19.1175 23.1964 23.2036 25.0778 25.1562 26.2018 26.3336 28.1342 28.2502 k = 0.3333 0.5774 0.4698 ( 834 PWs) bands (ev): -41.1375 -41.1375 -17.2951 -17.2620 -14.9171 -14.8913 -14.8046 -14.7334 9.0728 9.0888 12.7859 12.8148 14.6330 14.7411 18.4469 18.4659 19.0548 19.1236 23.2162 23.2235 25.0821 25.1657 26.1964 26.3334 28.2530 28.3664 k = 0.3333 0.5774 0.4790 ( 834 PWs) bands (ev): -41.1369 -41.1369 -17.2963 -17.2633 -14.9203 -14.8944 -14.8036 -14.7324 9.0676 9.0827 12.7712 12.7994 14.6263 14.7351 18.4854 18.5055 19.0588 19.1288 23.2326 23.2400 25.0852 25.1731 26.1923 26.3336 28.3591 28.4695 k = 0.3333 0.5774 0.4882 ( 834 PWs) bands (ev): -41.1365 -41.1365 -17.2972 -17.2643 -14.9228 -14.8968 -14.8028 -14.7317 9.0636 9.0779 12.7597 12.7874 14.6211 14.7305 18.5155 18.5366 19.0620 19.1329 23.2455 23.2531 25.0875 25.1787 26.1893 26.3339 28.4490 28.5561 k = 0.3333 0.5774 0.4974 ( 834 PWs) bands (ev): -41.1361 -41.1361 -17.2979 -17.2651 -14.9245 -14.8986 -14.8023 -14.7312 9.0607 9.0745 12.7515 12.7788 14.6175 14.7271 18.5371 18.5589 19.0642 19.1360 23.2547 23.2624 25.0890 25.1826 26.1873 26.3342 28.5181 28.6223 k = 0.3333 0.5774 0.5066 ( 834 PWs) bands (ev): -41.1359 -41.1359 -17.2983 -17.2655 -14.9256 -14.8996 -14.8019 -14.7308 9.0590 9.0724 12.7466 12.7737 14.6152 14.7251 18.5501 18.5724 19.0656 19.1378 23.2604 23.2681 25.0898 25.1848 26.1861 26.3345 28.5620 28.6641 k = 0.3333 0.5774 0.5158 ( 834 PWs) bands (ev): -41.1359 -41.1359 -17.2984 -17.2657 -14.9260 -14.9000 -14.8018 -14.7307 9.0584 9.0717 12.7450 12.7720 14.6145 14.7245 18.5544 18.5769 19.0660 19.1385 23.2622 23.2700 25.0901 25.1856 26.1857 26.3346 28.5771 28.6784 Writing output data file MoC.save init_run : 2.17s CPU 12.79s WALL ( 1 calls) electrons : 123.20s CPU 128.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 1.34s WALL ( 1 calls) Called by electrons: c_bands : 123.18s CPU 128.21s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.76s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.35s WALL ( 1 calls) newd : 0.27s CPU 0.35s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 523 calls) cegterg : 87.77s CPU 88.57s WALL ( 523 calls) Called by sum_band: Called by *egterg: h_psi : 44.44s CPU 47.74s WALL ( 7159 calls) s_psi : 2.58s CPU 3.42s WALL ( 7159 calls) g_psi : 0.07s CPU 0.07s WALL ( 6113 calls) cdiaghg : 27.81s CPU 29.75s WALL ( 6636 calls) cegterg:over : 8.76s CPU 7.00s WALL ( 6113 calls) cegterg:upda : 0.58s CPU 0.66s WALL ( 6113 calls) cegterg:last : 0.41s CPU 0.51s WALL ( 1569 calls) Called by h_psi: h_psi:vloc : 37.58s CPU 40.96s WALL ( 7159 calls) h_psi:vnl : 6.84s CPU 6.71s WALL ( 7159 calls) add_vuspsi : 0.83s CPU 2.21s WALL ( 7159 calls) General routines calbec : 6.00s CPU 4.45s WALL ( 7159 calls) fft : 0.10s CPU 1.01s WALL ( 19 calls) ffts : 0.07s CPU 0.18s WALL ( 4 calls) fftw : 36.41s CPU 39.33s WALL ( 561076 calls) interpolate : 0.09s CPU 0.21s WALL ( 4 calls) davcio : 0.04s CPU 2.45s WALL ( 1046 calls) Parallel routines fft_scatter : 26.28s CPU 28.13s WALL ( 561099 calls) PWSCF : 2m39.44s CPU 4m58.76s WALL This run was terminated on: 17:36:22 30Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=