Program PWSCF v.5.1.1 starts on 7Oct2015 at 23:39:37 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: ./BC2N.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 12 6 2 322 120 24 Max 13 7 3 327 137 31 Sum 593 325 101 15535 6129 1181 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 4.7704 a.u. unit-cell volume = 155.1993 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.770370 celldm(2)= 1.000000 celldm(3)= 1.429663 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.429663 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.699466 ) PseudoPot. # 1 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 4 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -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 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 s_v -s_v 3 -3 s_v'-s_v' 4 -4 -E -1 Cartesian axes number of k points= 692 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014451 k( 2) = ( 0.0079365 -0.0000000 -0.0000000), wk = 0.0014451 k( 3) = ( 0.0158730 -0.0000000 -0.0000000), wk = 0.0014451 k( 4) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0014451 k( 5) = ( 0.0317460 -0.0000000 -0.0000000), wk = 0.0014451 k( 6) = ( 0.0396825 -0.0000000 -0.0000000), wk = 0.0014451 k( 7) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0014451 k( 8) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0014451 k( 9) = ( 0.0634921 -0.0000000 -0.0000000), wk = 0.0014451 k( 10) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0014451 k( 11) = ( 0.0793651 -0.0000000 -0.0000000), wk = 0.0014451 k( 12) = ( 0.0873016 -0.0000000 -0.0000000), wk = 0.0014451 k( 13) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0014451 k( 14) = ( 0.1031746 -0.0000000 -0.0000000), wk = 0.0014451 k( 15) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0014451 k( 16) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0014451 k( 17) = ( 0.1269841 -0.0000000 -0.0000000), wk = 0.0014451 k( 18) = ( 0.1349206 -0.0000000 -0.0000000), wk = 0.0014451 k( 19) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0014451 k( 20) = ( 0.1507937 -0.0000000 -0.0000000), wk = 0.0014451 k( 21) = ( 0.1587302 -0.0000000 -0.0000000), wk = 0.0014451 k( 22) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0014451 k( 23) = ( 0.1746032 -0.0000000 -0.0000000), wk = 0.0014451 k( 24) = ( 0.1825397 -0.0000000 -0.0000000), wk = 0.0014451 k( 25) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0014451 k( 26) = ( 0.1984127 -0.0000000 -0.0000000), wk = 0.0014451 k( 27) = ( 0.2063492 -0.0000000 -0.0000000), wk = 0.0014451 k( 28) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0014451 k( 29) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0014451 k( 30) = ( 0.2301587 -0.0000000 -0.0000000), wk = 0.0014451 k( 31) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0014451 k( 32) = ( 0.2460317 -0.0000000 -0.0000000), wk = 0.0014451 k( 33) = ( 0.2539683 -0.0000000 -0.0000000), wk = 0.0014451 k( 34) = ( 0.2619048 -0.0000000 -0.0000000), wk = 0.0014451 k( 35) = ( 0.2698413 -0.0000000 -0.0000000), wk = 0.0014451 k( 36) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0014451 k( 37) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0014451 k( 38) = ( 0.2936508 -0.0000000 -0.0000000), wk = 0.0014451 k( 39) = ( 0.3015873 -0.0000000 -0.0000000), wk = 0.0014451 k( 40) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0014451 k( 41) = ( 0.3174603 -0.0000000 -0.0000000), wk = 0.0014451 k( 42) = ( 0.3253968 -0.0000000 -0.0000000), wk = 0.0014451 k( 43) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0014451 k( 44) = ( 0.3412698 -0.0000000 -0.0000000), wk = 0.0014451 k( 45) = ( 0.3492063 -0.0000000 -0.0000000), wk = 0.0014451 k( 46) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0014451 k( 47) = ( 0.3650794 -0.0000000 -0.0000000), wk = 0.0014451 k( 48) = ( 0.3730159 -0.0000000 -0.0000000), wk = 0.0014451 k( 49) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0014451 k( 50) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0014451 k( 51) = ( 0.3968254 -0.0000000 -0.0000000), wk = 0.0014451 k( 52) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0014451 k( 53) = ( 0.4126984 -0.0000000 -0.0000000), wk = 0.0014451 k( 54) = ( 0.4206349 -0.0000000 -0.0000000), wk = 0.0014451 k( 55) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0014451 k( 56) = ( 0.4365079 -0.0000000 -0.0000000), wk = 0.0014451 k( 57) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0014451 k( 58) = ( 0.4523810 -0.0000000 -0.0000000), wk = 0.0014451 k( 59) = ( 0.4603175 -0.0000000 -0.0000000), wk = 0.0014451 k( 60) = ( 0.4682540 -0.0000000 -0.0000000), wk = 0.0014451 k( 61) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0014451 k( 62) = ( 0.4841270 -0.0000000 -0.0000000), wk = 0.0014451 k( 63) = ( 0.4920635 -0.0000000 -0.0000000), wk = 0.0014451 k( 64) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0014451 k( 65) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0014451 k( 66) = ( 0.5000000 0.0079365 -0.0000000), wk = 0.0014451 k( 67) = ( 0.5000000 0.0158730 -0.0000000), wk = 0.0014451 k( 68) = ( 0.5000000 0.0238095 -0.0000000), wk = 0.0014451 k( 69) = ( 0.5000000 0.0317460 -0.0000000), wk = 0.0014451 k( 70) = ( 0.5000000 0.0396825 -0.0000000), wk = 0.0014451 k( 71) = ( 0.5000000 0.0476190 -0.0000000), wk = 0.0014451 k( 72) = ( 0.5000000 0.0555556 -0.0000000), wk = 0.0014451 k( 73) = ( 0.5000000 0.0634921 -0.0000000), wk = 0.0014451 k( 74) = ( 0.5000000 0.0714286 -0.0000000), wk = 0.0014451 k( 75) = ( 0.5000000 0.0793651 -0.0000000), wk = 0.0014451 k( 76) = ( 0.5000000 0.0873016 -0.0000000), wk = 0.0014451 k( 77) = ( 0.5000000 0.0952381 -0.0000000), wk = 0.0014451 k( 78) = ( 0.5000000 0.1031746 -0.0000000), wk = 0.0014451 k( 79) = ( 0.5000000 0.1111111 -0.0000000), wk = 0.0014451 k( 80) = ( 0.5000000 0.1190476 -0.0000000), wk = 0.0014451 k( 81) = ( 0.5000000 0.1269841 -0.0000000), wk = 0.0014451 k( 82) = ( 0.5000000 0.1349206 -0.0000000), wk = 0.0014451 k( 83) = ( 0.5000000 0.1428571 -0.0000000), wk = 0.0014451 k( 84) = ( 0.5000000 0.1507936 -0.0000000), wk = 0.0014451 k( 85) = ( 0.5000000 0.1587302 -0.0000000), wk = 0.0014451 k( 86) = ( 0.5000000 0.1666667 -0.0000000), wk = 0.0014451 k( 87) = ( 0.5000000 0.1746032 -0.0000000), wk = 0.0014451 k( 88) = ( 0.5000000 0.1825397 -0.0000000), wk = 0.0014451 k( 89) = ( 0.5000000 0.1904762 -0.0000000), wk = 0.0014451 k( 90) = ( 0.5000000 0.1984127 -0.0000000), wk = 0.0014451 k( 91) = ( 0.5000000 0.2063492 -0.0000000), wk = 0.0014451 k( 92) = ( 0.5000000 0.2142857 -0.0000000), wk = 0.0014451 k( 93) = ( 0.5000000 0.2222222 -0.0000000), wk = 0.0014451 k( 94) = ( 0.5000000 0.2301587 -0.0000000), wk = 0.0014451 k( 95) = ( 0.5000000 0.2380952 -0.0000000), wk = 0.0014451 k( 96) = ( 0.5000000 0.2460317 -0.0000000), wk = 0.0014451 k( 97) = ( 0.5000000 0.2539682 -0.0000000), wk = 0.0014451 k( 98) = ( 0.5000000 0.2619048 -0.0000000), wk = 0.0014451 k( 99) = ( 0.5000000 0.2698413 -0.0000000), wk = 0.0014451 k( 100) = ( 0.5000000 0.2777778 -0.0000000), wk = 0.0014451 k( 101) = ( 0.5000000 0.2857143 -0.0000000), wk = 0.0014451 k( 102) = ( 0.5000000 0.2936508 -0.0000000), wk = 0.0014451 k( 103) = ( 0.5000000 0.3015873 -0.0000000), wk = 0.0014451 k( 104) = ( 0.5000000 0.3095238 -0.0000000), wk = 0.0014451 k( 105) = ( 0.5000000 0.3174603 -0.0000000), wk = 0.0014451 k( 106) = ( 0.5000000 0.3253968 -0.0000000), wk = 0.0014451 k( 107) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0014451 k( 108) = ( 0.5000000 0.3412698 -0.0000000), wk = 0.0014451 k( 109) = ( 0.5000000 0.3492063 -0.0000000), wk = 0.0014451 k( 110) = ( 0.5000000 0.3571429 -0.0000000), wk = 0.0014451 k( 111) = ( 0.5000000 0.3650794 -0.0000000), wk = 0.0014451 k( 112) = ( 0.5000000 0.3730159 -0.0000000), wk = 0.0014451 k( 113) = ( 0.5000000 0.3809524 -0.0000000), wk = 0.0014451 k( 114) = ( 0.5000000 0.3888889 -0.0000000), wk = 0.0014451 k( 115) = ( 0.5000000 0.3968254 -0.0000000), wk = 0.0014451 k( 116) = ( 0.5000000 0.4047619 -0.0000000), wk = 0.0014451 k( 117) = ( 0.5000000 0.4126984 -0.0000000), wk = 0.0014451 k( 118) = ( 0.5000000 0.4206349 -0.0000000), wk = 0.0014451 k( 119) = ( 0.5000000 0.4285714 -0.0000000), wk = 0.0014451 k( 120) = ( 0.5000000 0.4365079 -0.0000000), wk = 0.0014451 k( 121) = ( 0.5000000 0.4444444 -0.0000000), wk = 0.0014451 k( 122) = ( 0.5000000 0.4523809 -0.0000000), wk = 0.0014451 k( 123) = ( 0.5000000 0.4603175 -0.0000000), wk = 0.0014451 k( 124) = ( 0.5000000 0.4682540 -0.0000000), wk = 0.0014451 k( 125) = ( 0.5000000 0.4761905 -0.0000000), wk = 0.0014451 k( 126) = ( 0.5000000 0.4841270 -0.0000000), wk = 0.0014451 k( 127) = ( 0.5000000 0.4920635 -0.0000000), wk = 0.0014451 k( 128) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0014451 k( 129) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0014451 k( 130) = ( 0.4920635 0.5000000 -0.0000000), wk = 0.0014451 k( 131) = ( 0.4841270 0.5000000 -0.0000000), wk = 0.0014451 k( 132) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0014451 k( 133) = ( 0.4682540 0.5000000 -0.0000000), wk = 0.0014451 k( 134) = ( 0.4603175 0.5000000 -0.0000000), wk = 0.0014451 k( 135) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0014451 k( 136) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0014451 k( 137) = ( 0.4365079 0.5000000 -0.0000000), wk = 0.0014451 k( 138) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0014451 k( 139) = ( 0.4206349 0.5000000 -0.0000000), wk = 0.0014451 k( 140) = ( 0.4126984 0.5000000 -0.0000000), wk = 0.0014451 k( 141) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0014451 k( 142) = ( 0.3968254 0.5000000 -0.0000000), wk = 0.0014451 k( 143) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0014451 k( 144) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0014451 k( 145) = ( 0.3730159 0.5000000 -0.0000000), wk = 0.0014451 k( 146) = ( 0.3650794 0.5000000 -0.0000000), wk = 0.0014451 k( 147) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0014451 k( 148) = ( 0.3492063 0.5000000 -0.0000000), wk = 0.0014451 k( 149) = ( 0.3412698 0.5000000 -0.0000000), wk = 0.0014451 k( 150) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0014451 k( 151) = ( 0.3253968 0.5000000 -0.0000000), wk = 0.0014451 k( 152) = ( 0.3174603 0.5000000 -0.0000000), wk = 0.0014451 k( 153) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0014451 k( 154) = ( 0.3015873 0.5000000 -0.0000000), wk = 0.0014451 k( 155) = ( 0.2936508 0.5000000 -0.0000000), wk = 0.0014451 k( 156) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0014451 k( 157) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0014451 k( 158) = ( 0.2698413 0.5000000 -0.0000000), wk = 0.0014451 k( 159) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0014451 k( 160) = ( 0.2539683 0.5000000 -0.0000000), wk = 0.0014451 k( 161) = ( 0.2460317 0.5000000 -0.0000000), wk = 0.0014451 k( 162) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0014451 k( 163) = ( 0.2301587 0.5000000 -0.0000000), wk = 0.0014451 k( 164) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0014451 k( 165) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0014451 k( 166) = ( 0.2063492 0.5000000 -0.0000000), wk = 0.0014451 k( 167) = ( 0.1984127 0.5000000 -0.0000000), wk = 0.0014451 k( 168) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0014451 k( 169) = ( 0.1825397 0.5000000 -0.0000000), wk = 0.0014451 k( 170) = ( 0.1746032 0.5000000 -0.0000000), wk = 0.0014451 k( 171) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0014451 k( 172) = ( 0.1587302 0.5000000 -0.0000000), wk = 0.0014451 k( 173) = ( 0.1507937 0.5000000 -0.0000000), wk = 0.0014451 k( 174) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0014451 k( 175) = ( 0.1349206 0.5000000 -0.0000000), wk = 0.0014451 k( 176) = ( 0.1269841 0.5000000 -0.0000000), wk = 0.0014451 k( 177) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0014451 k( 178) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0014451 k( 179) = ( 0.1031746 0.5000000 -0.0000000), wk = 0.0014451 k( 180) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0014451 k( 181) = ( 0.0873016 0.5000000 -0.0000000), wk = 0.0014451 k( 182) = ( 0.0793651 0.5000000 -0.0000000), wk = 0.0014451 k( 183) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0014451 k( 184) = ( 0.0634921 0.5000000 -0.0000000), wk = 0.0014451 k( 185) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0014451 k( 186) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0014451 k( 187) = ( 0.0396825 0.5000000 -0.0000000), wk = 0.0014451 k( 188) = ( 0.0317460 0.5000000 -0.0000000), wk = 0.0014451 k( 189) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0014451 k( 190) = ( 0.0158730 0.5000000 -0.0000000), wk = 0.0014451 k( 191) = ( 0.0079365 0.5000000 -0.0000000), wk = 0.0014451 k( 192) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0014451 k( 193) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0014451 k( 194) = ( 0.0000000 0.4920635 -0.0000000), wk = 0.0014451 k( 195) = ( 0.0000000 0.4841270 -0.0000000), wk = 0.0014451 k( 196) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0014451 k( 197) = ( 0.0000000 0.4682540 -0.0000000), wk = 0.0014451 k( 198) = ( 0.0000000 0.4603175 -0.0000000), wk = 0.0014451 k( 199) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0014451 k( 200) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0014451 k( 201) = ( 0.0000000 0.4365079 -0.0000000), wk = 0.0014451 k( 202) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0014451 k( 203) = ( 0.0000000 0.4206349 -0.0000000), wk = 0.0014451 k( 204) = ( 0.0000000 0.4126984 -0.0000000), wk = 0.0014451 k( 205) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0014451 k( 206) = ( 0.0000000 0.3968254 -0.0000000), wk = 0.0014451 k( 207) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0014451 k( 208) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0014451 k( 209) = ( 0.0000000 0.3730159 -0.0000000), wk = 0.0014451 k( 210) = ( 0.0000000 0.3650794 -0.0000000), wk = 0.0014451 k( 211) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0014451 k( 212) = ( 0.0000000 0.3492063 -0.0000000), wk = 0.0014451 k( 213) = ( 0.0000000 0.3412698 -0.0000000), wk = 0.0014451 k( 214) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0014451 k( 215) = ( 0.0000000 0.3253968 -0.0000000), wk = 0.0014451 k( 216) = ( 0.0000000 0.3174603 -0.0000000), wk = 0.0014451 k( 217) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0014451 k( 218) = ( 0.0000000 0.3015873 -0.0000000), wk = 0.0014451 k( 219) = ( 0.0000000 0.2936508 -0.0000000), wk = 0.0014451 k( 220) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0014451 k( 221) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0014451 k( 222) = ( 0.0000000 0.2698413 -0.0000000), wk = 0.0014451 k( 223) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0014451 k( 224) = ( 0.0000000 0.2539683 -0.0000000), wk = 0.0014451 k( 225) = ( 0.0000000 0.2460317 -0.0000000), wk = 0.0014451 k( 226) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0014451 k( 227) = ( 0.0000000 0.2301587 -0.0000000), wk = 0.0014451 k( 228) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0014451 k( 229) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0014451 k( 230) = ( 0.0000000 0.2063492 -0.0000000), wk = 0.0014451 k( 231) = ( 0.0000000 0.1984127 -0.0000000), wk = 0.0014451 k( 232) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0014451 k( 233) = ( 0.0000000 0.1825397 -0.0000000), wk = 0.0014451 k( 234) = ( 0.0000000 0.1746032 -0.0000000), wk = 0.0014451 k( 235) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0014451 k( 236) = ( 0.0000000 0.1587302 -0.0000000), wk = 0.0014451 k( 237) = ( 0.0000000 0.1507937 -0.0000000), wk = 0.0014451 k( 238) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0014451 k( 239) = ( 0.0000000 0.1349206 -0.0000000), wk = 0.0014451 k( 240) = ( 0.0000000 0.1269841 -0.0000000), wk = 0.0014451 k( 241) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0014451 k( 242) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0014451 k( 243) = ( 0.0000000 0.1031746 -0.0000000), wk = 0.0014451 k( 244) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0014451 k( 245) = ( 0.0000000 0.0873016 -0.0000000), wk = 0.0014451 k( 246) = ( 0.0000000 0.0793651 -0.0000000), wk = 0.0014451 k( 247) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0014451 k( 248) = ( 0.0000000 0.0634921 -0.0000000), wk = 0.0014451 k( 249) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0014451 k( 250) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0014451 k( 251) = ( 0.0000000 0.0396825 -0.0000000), wk = 0.0014451 k( 252) = ( 0.0000000 0.0317460 -0.0000000), wk = 0.0014451 k( 253) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0014451 k( 254) = ( 0.0000000 0.0158730 -0.0000000), wk = 0.0014451 k( 255) = ( 0.0000000 0.0079365 -0.0000000), wk = 0.0014451 k( 256) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014451 k( 257) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014451 k( 258) = ( 0.0000000 0.0000000 0.0079485), wk = 0.0014451 k( 259) = ( 0.0000000 0.0000000 0.0158969), wk = 0.0014451 k( 260) = ( 0.0000000 0.0000000 0.0238454), wk = 0.0014451 k( 261) = ( 0.0000000 0.0000000 0.0317939), wk = 0.0014451 k( 262) = ( 0.0000000 0.0000000 0.0397424), wk = 0.0014451 k( 263) = ( 0.0000000 0.0000000 0.0476908), wk = 0.0014451 k( 264) = ( 0.0000000 0.0000000 0.0556393), wk = 0.0014451 k( 265) = ( 0.0000000 0.0000000 0.0635878), wk = 0.0014451 k( 266) = ( 0.0000000 0.0000000 0.0715363), wk = 0.0014451 k( 267) = ( 0.0000000 0.0000000 0.0794847), wk = 0.0014451 k( 268) = ( 0.0000000 0.0000000 0.0874332), wk = 0.0014451 k( 269) = ( 0.0000000 0.0000000 0.0953817), wk = 0.0014451 k( 270) = ( 0.0000000 0.0000000 0.1033301), wk = 0.0014451 k( 271) = ( 0.0000000 0.0000000 0.1112786), wk = 0.0014451 k( 272) = ( 0.0000000 0.0000000 0.1192271), wk = 0.0014451 k( 273) = ( 0.0000000 0.0000000 0.1271756), wk = 0.0014451 k( 274) = ( 0.0000000 0.0000000 0.1351240), wk = 0.0014451 k( 275) = ( 0.0000000 0.0000000 0.1430725), wk = 0.0014451 k( 276) = ( 0.0000000 0.0000000 0.1510210), wk = 0.0014451 k( 277) = ( 0.0000000 0.0000000 0.1589694), wk = 0.0014451 k( 278) = ( 0.0000000 0.0000000 0.1669179), wk = 0.0014451 k( 279) = ( 0.0000000 0.0000000 0.1748664), wk = 0.0014451 k( 280) = ( 0.0000000 0.0000000 0.1828149), wk = 0.0014451 k( 281) = ( 0.0000000 0.0000000 0.1907633), wk = 0.0014451 k( 282) = ( 0.0000000 0.0000000 0.1987118), wk = 0.0014451 k( 283) = ( 0.0000000 0.0000000 0.2066603), wk = 0.0014451 k( 284) = ( 0.0000000 0.0000000 0.2146088), wk = 0.0014451 k( 285) = ( 0.0000000 0.0000000 0.2225572), wk = 0.0014451 k( 286) = ( 0.0000000 0.0000000 0.2305057), wk = 0.0014451 k( 287) = ( 0.0000000 0.0000000 0.2384542), wk = 0.0014451 k( 288) = ( 0.0000000 0.0000000 0.2464026), wk = 0.0014451 k( 289) = ( 0.0000000 0.0000000 0.2543511), wk = 0.0014451 k( 290) = ( 0.0000000 0.0000000 0.2622996), wk = 0.0014451 k( 291) = ( 0.0000000 0.0000000 0.2702481), wk = 0.0014451 k( 292) = ( 0.0000000 0.0000000 0.2781965), wk = 0.0014451 k( 293) = ( 0.0000000 0.0000000 0.2861450), wk = 0.0014451 k( 294) = ( 0.0000000 0.0000000 0.2940935), wk = 0.0014451 k( 295) = ( 0.0000000 0.0000000 0.3020419), wk = 0.0014451 k( 296) = ( 0.0000000 0.0000000 0.3099904), wk = 0.0014451 k( 297) = ( 0.0000000 0.0000000 0.3179389), wk = 0.0014451 k( 298) = ( 0.0000000 0.0000000 0.3258874), wk = 0.0014451 k( 299) = ( 0.0000000 0.0000000 0.3338358), wk = 0.0014451 k( 300) = ( 0.0000000 0.0000000 0.3417843), wk = 0.0014451 k( 301) = ( 0.0000000 0.0000000 0.3497328), wk = 0.0014451 k( 302) = ( 0.0000000 0.0000000 0.3497328), wk = 0.0014451 k( 303) = ( 0.0079365 -0.0000000 0.3497328), wk = 0.0014451 k( 304) = ( 0.0158730 -0.0000000 0.3497328), wk = 0.0014451 k( 305) = ( 0.0238095 -0.0000000 0.3497328), wk = 0.0014451 k( 306) = ( 0.0317460 -0.0000000 0.3497328), wk = 0.0014451 k( 307) = ( 0.0396825 -0.0000000 0.3497328), wk = 0.0014451 k( 308) = ( 0.0476191 -0.0000000 0.3497328), wk = 0.0014451 k( 309) = ( 0.0555556 -0.0000000 0.3497328), wk = 0.0014451 k( 310) = ( 0.0634921 -0.0000000 0.3497328), wk = 0.0014451 k( 311) = ( 0.0714286 -0.0000000 0.3497328), wk = 0.0014451 k( 312) = ( 0.0793651 -0.0000000 0.3497328), wk = 0.0014451 k( 313) = ( 0.0873016 -0.0000000 0.3497328), wk = 0.0014451 k( 314) = ( 0.0952381 -0.0000000 0.3497328), wk = 0.0014451 k( 315) = ( 0.1031746 -0.0000000 0.3497328), wk = 0.0014451 k( 316) = ( 0.1111111 -0.0000000 0.3497328), wk = 0.0014451 k( 317) = ( 0.1190476 -0.0000000 0.3497328), wk = 0.0014451 k( 318) = ( 0.1269841 -0.0000000 0.3497328), wk = 0.0014451 k( 319) = ( 0.1349206 -0.0000000 0.3497328), wk = 0.0014451 k( 320) = ( 0.1428571 -0.0000000 0.3497328), wk = 0.0014451 k( 321) = ( 0.1507937 -0.0000000 0.3497328), wk = 0.0014451 k( 322) = ( 0.1587302 -0.0000000 0.3497328), wk = 0.0014451 k( 323) = ( 0.1666667 -0.0000000 0.3497328), wk = 0.0014451 k( 324) = ( 0.1746032 -0.0000000 0.3497328), wk = 0.0014451 k( 325) = ( 0.1825397 -0.0000000 0.3497328), wk = 0.0014451 k( 326) = ( 0.1904762 -0.0000000 0.3497328), wk = 0.0014451 k( 327) = ( 0.1984127 -0.0000000 0.3497328), wk = 0.0014451 k( 328) = ( 0.2063492 -0.0000000 0.3497328), wk = 0.0014451 k( 329) = ( 0.2142857 -0.0000000 0.3497328), wk = 0.0014451 k( 330) = ( 0.2222222 -0.0000000 0.3497328), wk = 0.0014451 k( 331) = ( 0.2301587 -0.0000000 0.3497328), wk = 0.0014451 k( 332) = ( 0.2380952 -0.0000000 0.3497328), wk = 0.0014451 k( 333) = ( 0.2460317 -0.0000000 0.3497328), wk = 0.0014451 k( 334) = ( 0.2539683 -0.0000000 0.3497328), wk = 0.0014451 k( 335) = ( 0.2619048 -0.0000000 0.3497328), wk = 0.0014451 k( 336) = ( 0.2698413 -0.0000000 0.3497328), wk = 0.0014451 k( 337) = ( 0.2777778 -0.0000000 0.3497328), wk = 0.0014451 k( 338) = ( 0.2857143 -0.0000000 0.3497328), wk = 0.0014451 k( 339) = ( 0.2936508 -0.0000000 0.3497328), wk = 0.0014451 k( 340) = ( 0.3015873 -0.0000000 0.3497328), wk = 0.0014451 k( 341) = ( 0.3095238 -0.0000000 0.3497328), wk = 0.0014451 k( 342) = ( 0.3174603 -0.0000000 0.3497328), wk = 0.0014451 k( 343) = ( 0.3253968 -0.0000000 0.3497328), wk = 0.0014451 k( 344) = ( 0.3333333 -0.0000000 0.3497328), wk = 0.0014451 k( 345) = ( 0.3412698 -0.0000000 0.3497328), wk = 0.0014451 k( 346) = ( 0.3492063 -0.0000000 0.3497328), wk = 0.0014451 k( 347) = ( 0.3571429 -0.0000000 0.3497328), wk = 0.0014451 k( 348) = ( 0.3650794 -0.0000000 0.3497328), wk = 0.0014451 k( 349) = ( 0.3730159 -0.0000000 0.3497328), wk = 0.0014451 k( 350) = ( 0.3809524 -0.0000000 0.3497328), wk = 0.0014451 k( 351) = ( 0.3888889 -0.0000000 0.3497328), wk = 0.0014451 k( 352) = ( 0.3968254 -0.0000000 0.3497328), wk = 0.0014451 k( 353) = ( 0.4047619 -0.0000000 0.3497328), wk = 0.0014451 k( 354) = ( 0.4126984 -0.0000000 0.3497328), wk = 0.0014451 k( 355) = ( 0.4206349 -0.0000000 0.3497328), wk = 0.0014451 k( 356) = ( 0.4285714 -0.0000000 0.3497328), wk = 0.0014451 k( 357) = ( 0.4365079 -0.0000000 0.3497328), wk = 0.0014451 k( 358) = ( 0.4444444 -0.0000000 0.3497328), wk = 0.0014451 k( 359) = ( 0.4523810 -0.0000000 0.3497328), wk = 0.0014451 k( 360) = ( 0.4603175 -0.0000000 0.3497328), wk = 0.0014451 k( 361) = ( 0.4682540 -0.0000000 0.3497328), wk = 0.0014451 k( 362) = ( 0.4761905 -0.0000000 0.3497328), wk = 0.0014451 k( 363) = ( 0.4841270 -0.0000000 0.3497328), wk = 0.0014451 k( 364) = ( 0.4920635 -0.0000000 0.3497328), wk = 0.0014451 k( 365) = ( 0.5000000 -0.0000000 0.3497328), wk = 0.0014451 k( 366) = ( 0.5000000 -0.0000000 0.3497328), wk = 0.0014451 k( 367) = ( 0.5000000 0.0079365 0.3497328), wk = 0.0014451 k( 368) = ( 0.5000000 0.0158730 0.3497328), wk = 0.0014451 k( 369) = ( 0.5000000 0.0238095 0.3497328), wk = 0.0014451 k( 370) = ( 0.5000000 0.0317460 0.3497328), wk = 0.0014451 k( 371) = ( 0.5000000 0.0396825 0.3497328), wk = 0.0014451 k( 372) = ( 0.5000000 0.0476190 0.3497328), wk = 0.0014451 k( 373) = ( 0.5000000 0.0555556 0.3497328), wk = 0.0014451 k( 374) = ( 0.5000000 0.0634921 0.3497328), wk = 0.0014451 k( 375) = ( 0.5000000 0.0714286 0.3497328), wk = 0.0014451 k( 376) = ( 0.5000000 0.0793651 0.3497328), wk = 0.0014451 k( 377) = ( 0.5000000 0.0873016 0.3497328), wk = 0.0014451 k( 378) = ( 0.5000000 0.0952381 0.3497328), wk = 0.0014451 k( 379) = ( 0.5000000 0.1031746 0.3497328), wk = 0.0014451 k( 380) = ( 0.5000000 0.1111111 0.3497328), wk = 0.0014451 k( 381) = ( 0.5000000 0.1190476 0.3497328), wk = 0.0014451 k( 382) = ( 0.5000000 0.1269841 0.3497328), wk = 0.0014451 k( 383) = ( 0.5000000 0.1349206 0.3497328), wk = 0.0014451 k( 384) = ( 0.5000000 0.1428571 0.3497328), wk = 0.0014451 k( 385) = ( 0.5000000 0.1507936 0.3497328), wk = 0.0014451 k( 386) = ( 0.5000000 0.1587302 0.3497328), wk = 0.0014451 k( 387) = ( 0.5000000 0.1666667 0.3497328), wk = 0.0014451 k( 388) = ( 0.5000000 0.1746032 0.3497328), wk = 0.0014451 k( 389) = ( 0.5000000 0.1825397 0.3497328), wk = 0.0014451 k( 390) = ( 0.5000000 0.1904762 0.3497328), wk = 0.0014451 k( 391) = ( 0.5000000 0.1984127 0.3497328), wk = 0.0014451 k( 392) = ( 0.5000000 0.2063492 0.3497328), wk = 0.0014451 k( 393) = ( 0.5000000 0.2142857 0.3497328), wk = 0.0014451 k( 394) = ( 0.5000000 0.2222222 0.3497328), wk = 0.0014451 k( 395) = ( 0.5000000 0.2301587 0.3497328), wk = 0.0014451 k( 396) = ( 0.5000000 0.2380952 0.3497328), wk = 0.0014451 k( 397) = ( 0.5000000 0.2460317 0.3497328), wk = 0.0014451 k( 398) = ( 0.5000000 0.2539682 0.3497328), wk = 0.0014451 k( 399) = ( 0.5000000 0.2619048 0.3497328), wk = 0.0014451 k( 400) = ( 0.5000000 0.2698413 0.3497328), wk = 0.0014451 k( 401) = ( 0.5000000 0.2777778 0.3497328), wk = 0.0014451 k( 402) = ( 0.5000000 0.2857143 0.3497328), wk = 0.0014451 k( 403) = ( 0.5000000 0.2936508 0.3497328), wk = 0.0014451 k( 404) = ( 0.5000000 0.3015873 0.3497328), wk = 0.0014451 k( 405) = ( 0.5000000 0.3095238 0.3497328), wk = 0.0014451 k( 406) = ( 0.5000000 0.3174603 0.3497328), wk = 0.0014451 k( 407) = ( 0.5000000 0.3253968 0.3497328), wk = 0.0014451 k( 408) = ( 0.5000000 0.3333333 0.3497328), wk = 0.0014451 k( 409) = ( 0.5000000 0.3412698 0.3497328), wk = 0.0014451 k( 410) = ( 0.5000000 0.3492063 0.3497328), wk = 0.0014451 k( 411) = ( 0.5000000 0.3571429 0.3497328), wk = 0.0014451 k( 412) = ( 0.5000000 0.3650794 0.3497328), wk = 0.0014451 k( 413) = ( 0.5000000 0.3730159 0.3497328), wk = 0.0014451 k( 414) = ( 0.5000000 0.3809524 0.3497328), wk = 0.0014451 k( 415) = ( 0.5000000 0.3888889 0.3497328), wk = 0.0014451 k( 416) = ( 0.5000000 0.3968254 0.3497328), wk = 0.0014451 k( 417) = ( 0.5000000 0.4047619 0.3497328), wk = 0.0014451 k( 418) = ( 0.5000000 0.4126984 0.3497328), wk = 0.0014451 k( 419) = ( 0.5000000 0.4206349 0.3497328), wk = 0.0014451 k( 420) = ( 0.5000000 0.4285714 0.3497328), wk = 0.0014451 k( 421) = ( 0.5000000 0.4365079 0.3497328), wk = 0.0014451 k( 422) = ( 0.5000000 0.4444444 0.3497328), wk = 0.0014451 k( 423) = ( 0.5000000 0.4523809 0.3497328), wk = 0.0014451 k( 424) = ( 0.5000000 0.4603175 0.3497328), wk = 0.0014451 k( 425) = ( 0.5000000 0.4682540 0.3497328), wk = 0.0014451 k( 426) = ( 0.5000000 0.4761905 0.3497328), wk = 0.0014451 k( 427) = ( 0.5000000 0.4841270 0.3497328), wk = 0.0014451 k( 428) = ( 0.5000000 0.4920635 0.3497328), wk = 0.0014451 k( 429) = ( 0.5000000 0.5000000 0.3497328), wk = 0.0014451 k( 430) = ( 0.5000000 0.5000000 0.3497328), wk = 0.0014451 k( 431) = ( 0.4920635 0.5000000 0.3497328), wk = 0.0014451 k( 432) = ( 0.4841270 0.5000000 0.3497328), wk = 0.0014451 k( 433) = ( 0.4761905 0.5000000 0.3497328), wk = 0.0014451 k( 434) = ( 0.4682540 0.5000000 0.3497328), wk = 0.0014451 k( 435) = ( 0.4603175 0.5000000 0.3497328), wk = 0.0014451 k( 436) = ( 0.4523810 0.5000000 0.3497328), wk = 0.0014451 k( 437) = ( 0.4444444 0.5000000 0.3497328), wk = 0.0014451 k( 438) = ( 0.4365079 0.5000000 0.3497328), wk = 0.0014451 k( 439) = ( 0.4285714 0.5000000 0.3497328), wk = 0.0014451 k( 440) = ( 0.4206349 0.5000000 0.3497328), wk = 0.0014451 k( 441) = ( 0.4126984 0.5000000 0.3497328), wk = 0.0014451 k( 442) = ( 0.4047619 0.5000000 0.3497328), wk = 0.0014451 k( 443) = ( 0.3968254 0.5000000 0.3497328), wk = 0.0014451 k( 444) = ( 0.3888889 0.5000000 0.3497328), wk = 0.0014451 k( 445) = ( 0.3809524 0.5000000 0.3497328), wk = 0.0014451 k( 446) = ( 0.3730159 0.5000000 0.3497328), wk = 0.0014451 k( 447) = ( 0.3650794 0.5000000 0.3497328), wk = 0.0014451 k( 448) = ( 0.3571429 0.5000000 0.3497328), wk = 0.0014451 k( 449) = ( 0.3492063 0.5000000 0.3497328), wk = 0.0014451 k( 450) = ( 0.3412698 0.5000000 0.3497328), wk = 0.0014451 k( 451) = ( 0.3333333 0.5000000 0.3497328), wk = 0.0014451 k( 452) = ( 0.3253968 0.5000000 0.3497328), wk = 0.0014451 k( 453) = ( 0.3174603 0.5000000 0.3497328), wk = 0.0014451 k( 454) = ( 0.3095238 0.5000000 0.3497328), wk = 0.0014451 k( 455) = ( 0.3015873 0.5000000 0.3497328), wk = 0.0014451 k( 456) = ( 0.2936508 0.5000000 0.3497328), wk = 0.0014451 k( 457) = ( 0.2857143 0.5000000 0.3497328), wk = 0.0014451 k( 458) = ( 0.2777778 0.5000000 0.3497328), wk = 0.0014451 k( 459) = ( 0.2698413 0.5000000 0.3497328), wk = 0.0014451 k( 460) = ( 0.2619048 0.5000000 0.3497328), wk = 0.0014451 k( 461) = ( 0.2539683 0.5000000 0.3497328), wk = 0.0014451 k( 462) = ( 0.2460317 0.5000000 0.3497328), wk = 0.0014451 k( 463) = ( 0.2380952 0.5000000 0.3497328), wk = 0.0014451 k( 464) = ( 0.2301587 0.5000000 0.3497328), wk = 0.0014451 k( 465) = ( 0.2222222 0.5000000 0.3497328), wk = 0.0014451 k( 466) = ( 0.2142857 0.5000000 0.3497328), wk = 0.0014451 k( 467) = ( 0.2063492 0.5000000 0.3497328), wk = 0.0014451 k( 468) = ( 0.1984127 0.5000000 0.3497328), wk = 0.0014451 k( 469) = ( 0.1904762 0.5000000 0.3497328), wk = 0.0014451 k( 470) = ( 0.1825397 0.5000000 0.3497328), wk = 0.0014451 k( 471) = ( 0.1746032 0.5000000 0.3497328), wk = 0.0014451 k( 472) = ( 0.1666667 0.5000000 0.3497328), wk = 0.0014451 k( 473) = ( 0.1587302 0.5000000 0.3497328), wk = 0.0014451 k( 474) = ( 0.1507937 0.5000000 0.3497328), wk = 0.0014451 k( 475) = ( 0.1428571 0.5000000 0.3497328), wk = 0.0014451 k( 476) = ( 0.1349206 0.5000000 0.3497328), wk = 0.0014451 k( 477) = ( 0.1269841 0.5000000 0.3497328), wk = 0.0014451 k( 478) = ( 0.1190476 0.5000000 0.3497328), wk = 0.0014451 k( 479) = ( 0.1111111 0.5000000 0.3497328), wk = 0.0014451 k( 480) = ( 0.1031746 0.5000000 0.3497328), wk = 0.0014451 k( 481) = ( 0.0952381 0.5000000 0.3497328), wk = 0.0014451 k( 482) = ( 0.0873016 0.5000000 0.3497328), wk = 0.0014451 k( 483) = ( 0.0793651 0.5000000 0.3497328), wk = 0.0014451 k( 484) = ( 0.0714286 0.5000000 0.3497328), wk = 0.0014451 k( 485) = ( 0.0634921 0.5000000 0.3497328), wk = 0.0014451 k( 486) = ( 0.0555556 0.5000000 0.3497328), wk = 0.0014451 k( 487) = ( 0.0476191 0.5000000 0.3497328), wk = 0.0014451 k( 488) = ( 0.0396825 0.5000000 0.3497328), wk = 0.0014451 k( 489) = ( 0.0317460 0.5000000 0.3497328), wk = 0.0014451 k( 490) = ( 0.0238095 0.5000000 0.3497328), wk = 0.0014451 k( 491) = ( 0.0158730 0.5000000 0.3497328), wk = 0.0014451 k( 492) = ( 0.0079365 0.5000000 0.3497328), wk = 0.0014451 k( 493) = ( 0.0000000 0.5000000 0.3497328), wk = 0.0014451 k( 494) = ( 0.0000000 0.5000000 0.3497328), wk = 0.0014451 k( 495) = ( 0.0000000 0.4920635 0.3497328), wk = 0.0014451 k( 496) = ( 0.0000000 0.4841270 0.3497328), wk = 0.0014451 k( 497) = ( 0.0000000 0.4761905 0.3497328), wk = 0.0014451 k( 498) = ( 0.0000000 0.4682540 0.3497328), wk = 0.0014451 k( 499) = ( 0.0000000 0.4603175 0.3497328), wk = 0.0014451 k( 500) = ( 0.0000000 0.4523810 0.3497328), wk = 0.0014451 k( 501) = ( 0.0000000 0.4444444 0.3497328), wk = 0.0014451 k( 502) = ( 0.0000000 0.4365079 0.3497328), wk = 0.0014451 k( 503) = ( 0.0000000 0.4285714 0.3497328), wk = 0.0014451 k( 504) = ( 0.0000000 0.4206349 0.3497328), wk = 0.0014451 k( 505) = ( 0.0000000 0.4126984 0.3497328), wk = 0.0014451 k( 506) = ( 0.0000000 0.4047619 0.3497328), wk = 0.0014451 k( 507) = ( 0.0000000 0.3968254 0.3497328), wk = 0.0014451 k( 508) = ( 0.0000000 0.3888889 0.3497328), wk = 0.0014451 k( 509) = ( 0.0000000 0.3809524 0.3497328), wk = 0.0014451 k( 510) = ( 0.0000000 0.3730159 0.3497328), wk = 0.0014451 k( 511) = ( 0.0000000 0.3650794 0.3497328), wk = 0.0014451 k( 512) = ( 0.0000000 0.3571429 0.3497328), wk = 0.0014451 k( 513) = ( 0.0000000 0.3492063 0.3497328), wk = 0.0014451 k( 514) = ( 0.0000000 0.3412698 0.3497328), wk = 0.0014451 k( 515) = ( 0.0000000 0.3333333 0.3497328), wk = 0.0014451 k( 516) = ( 0.0000000 0.3253968 0.3497328), wk = 0.0014451 k( 517) = ( 0.0000000 0.3174603 0.3497328), wk = 0.0014451 k( 518) = ( 0.0000000 0.3095238 0.3497328), wk = 0.0014451 k( 519) = ( 0.0000000 0.3015873 0.3497328), wk = 0.0014451 k( 520) = ( 0.0000000 0.2936508 0.3497328), wk = 0.0014451 k( 521) = ( 0.0000000 0.2857143 0.3497328), wk = 0.0014451 k( 522) = ( 0.0000000 0.2777778 0.3497328), wk = 0.0014451 k( 523) = ( 0.0000000 0.2698413 0.3497328), wk = 0.0014451 k( 524) = ( 0.0000000 0.2619048 0.3497328), wk = 0.0014451 k( 525) = ( 0.0000000 0.2539683 0.3497328), wk = 0.0014451 k( 526) = ( 0.0000000 0.2460317 0.3497328), wk = 0.0014451 k( 527) = ( 0.0000000 0.2380952 0.3497328), wk = 0.0014451 k( 528) = ( 0.0000000 0.2301587 0.3497328), wk = 0.0014451 k( 529) = ( 0.0000000 0.2222222 0.3497328), wk = 0.0014451 k( 530) = ( 0.0000000 0.2142857 0.3497328), wk = 0.0014451 k( 531) = ( 0.0000000 0.2063492 0.3497328), wk = 0.0014451 k( 532) = ( 0.0000000 0.1984127 0.3497328), wk = 0.0014451 k( 533) = ( 0.0000000 0.1904762 0.3497328), wk = 0.0014451 k( 534) = ( 0.0000000 0.1825397 0.3497328), wk = 0.0014451 k( 535) = ( 0.0000000 0.1746032 0.3497328), wk = 0.0014451 k( 536) = ( 0.0000000 0.1666667 0.3497328), wk = 0.0014451 k( 537) = ( 0.0000000 0.1587302 0.3497328), wk = 0.0014451 k( 538) = ( 0.0000000 0.1507937 0.3497328), wk = 0.0014451 k( 539) = ( 0.0000000 0.1428571 0.3497328), wk = 0.0014451 k( 540) = ( 0.0000000 0.1349206 0.3497328), wk = 0.0014451 k( 541) = ( 0.0000000 0.1269841 0.3497328), wk = 0.0014451 k( 542) = ( 0.0000000 0.1190476 0.3497328), wk = 0.0014451 k( 543) = ( 0.0000000 0.1111111 0.3497328), wk = 0.0014451 k( 544) = ( 0.0000000 0.1031746 0.3497328), wk = 0.0014451 k( 545) = ( 0.0000000 0.0952381 0.3497328), wk = 0.0014451 k( 546) = ( 0.0000000 0.0873016 0.3497328), wk = 0.0014451 k( 547) = ( 0.0000000 0.0793651 0.3497328), wk = 0.0014451 k( 548) = ( 0.0000000 0.0714286 0.3497328), wk = 0.0014451 k( 549) = ( 0.0000000 0.0634921 0.3497328), wk = 0.0014451 k( 550) = ( 0.0000000 0.0555556 0.3497328), wk = 0.0014451 k( 551) = ( 0.0000000 0.0476191 0.3497328), wk = 0.0014451 k( 552) = ( 0.0000000 0.0396825 0.3497328), wk = 0.0014451 k( 553) = ( 0.0000000 0.0317460 0.3497328), wk = 0.0014451 k( 554) = ( 0.0000000 0.0238095 0.3497328), wk = 0.0014451 k( 555) = ( 0.0000000 0.0158730 0.3497328), wk = 0.0014451 k( 556) = ( 0.0000000 0.0079365 0.3497328), wk = 0.0014451 k( 557) = ( 0.0000000 0.0000000 0.3497328), wk = 0.0014451 k( 558) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0014451 k( 559) = ( 0.0000000 0.5000000 0.0079485), wk = 0.0014451 k( 560) = ( 0.0000000 0.5000000 0.0158969), wk = 0.0014451 k( 561) = ( 0.0000000 0.5000000 0.0238454), wk = 0.0014451 k( 562) = ( 0.0000000 0.5000000 0.0317939), wk = 0.0014451 k( 563) = ( 0.0000000 0.5000000 0.0397424), wk = 0.0014451 k( 564) = ( 0.0000000 0.5000000 0.0476908), wk = 0.0014451 k( 565) = ( 0.0000000 0.5000000 0.0556393), wk = 0.0014451 k( 566) = ( 0.0000000 0.5000000 0.0635878), wk = 0.0014451 k( 567) = ( 0.0000000 0.5000000 0.0715363), wk = 0.0014451 k( 568) = ( 0.0000000 0.5000000 0.0794847), wk = 0.0014451 k( 569) = ( 0.0000000 0.5000000 0.0874332), wk = 0.0014451 k( 570) = ( 0.0000000 0.5000000 0.0953817), wk = 0.0014451 k( 571) = ( 0.0000000 0.5000000 0.1033301), wk = 0.0014451 k( 572) = ( 0.0000000 0.5000000 0.1112786), wk = 0.0014451 k( 573) = ( 0.0000000 0.5000000 0.1192271), wk = 0.0014451 k( 574) = ( 0.0000000 0.5000000 0.1271756), wk = 0.0014451 k( 575) = ( 0.0000000 0.5000000 0.1351240), wk = 0.0014451 k( 576) = ( 0.0000000 0.5000000 0.1430725), wk = 0.0014451 k( 577) = ( 0.0000000 0.5000000 0.1510210), wk = 0.0014451 k( 578) = ( 0.0000000 0.5000000 0.1589694), wk = 0.0014451 k( 579) = ( 0.0000000 0.5000000 0.1669179), wk = 0.0014451 k( 580) = ( 0.0000000 0.5000000 0.1748664), wk = 0.0014451 k( 581) = ( 0.0000000 0.5000000 0.1828149), wk = 0.0014451 k( 582) = ( 0.0000000 0.5000000 0.1907633), wk = 0.0014451 k( 583) = ( 0.0000000 0.5000000 0.1987118), wk = 0.0014451 k( 584) = ( 0.0000000 0.5000000 0.2066603), wk = 0.0014451 k( 585) = ( 0.0000000 0.5000000 0.2146088), wk = 0.0014451 k( 586) = ( 0.0000000 0.5000000 0.2225572), wk = 0.0014451 k( 587) = ( 0.0000000 0.5000000 0.2305057), wk = 0.0014451 k( 588) = ( 0.0000000 0.5000000 0.2384542), wk = 0.0014451 k( 589) = ( 0.0000000 0.5000000 0.2464026), wk = 0.0014451 k( 590) = ( 0.0000000 0.5000000 0.2543511), wk = 0.0014451 k( 591) = ( 0.0000000 0.5000000 0.2622996), wk = 0.0014451 k( 592) = ( 0.0000000 0.5000000 0.2702481), wk = 0.0014451 k( 593) = ( 0.0000000 0.5000000 0.2781965), wk = 0.0014451 k( 594) = ( 0.0000000 0.5000000 0.2861450), wk = 0.0014451 k( 595) = ( 0.0000000 0.5000000 0.2940935), wk = 0.0014451 k( 596) = ( 0.0000000 0.5000000 0.3020419), wk = 0.0014451 k( 597) = ( 0.0000000 0.5000000 0.3099904), wk = 0.0014451 k( 598) = ( 0.0000000 0.5000000 0.3179389), wk = 0.0014451 k( 599) = ( 0.0000000 0.5000000 0.3258874), wk = 0.0014451 k( 600) = ( 0.0000000 0.5000000 0.3338358), wk = 0.0014451 k( 601) = ( 0.0000000 0.5000000 0.3417843), wk = 0.0014451 k( 602) = ( 0.0000000 0.5000000 0.3497328), wk = 0.0014451 k( 603) = ( 0.5000000 -0.0000000 0.3497328), wk = 0.0014451 k( 604) = ( 0.5000000 -0.0000000 0.3417843), wk = 0.0014451 k( 605) = ( 0.5000000 -0.0000000 0.3338358), wk = 0.0014451 k( 606) = ( 0.5000000 -0.0000000 0.3258874), wk = 0.0014451 k( 607) = ( 0.5000000 -0.0000000 0.3179389), wk = 0.0014451 k( 608) = ( 0.5000000 -0.0000000 0.3099904), wk = 0.0014451 k( 609) = ( 0.5000000 -0.0000000 0.3020419), wk = 0.0014451 k( 610) = ( 0.5000000 -0.0000000 0.2940935), wk = 0.0014451 k( 611) = ( 0.5000000 -0.0000000 0.2861450), wk = 0.0014451 k( 612) = ( 0.5000000 -0.0000000 0.2781965), wk = 0.0014451 k( 613) = ( 0.5000000 -0.0000000 0.2702481), wk = 0.0014451 k( 614) = ( 0.5000000 -0.0000000 0.2622996), wk = 0.0014451 k( 615) = ( 0.5000000 -0.0000000 0.2543511), wk = 0.0014451 k( 616) = ( 0.5000000 -0.0000000 0.2464026), wk = 0.0014451 k( 617) = ( 0.5000000 -0.0000000 0.2384542), wk = 0.0014451 k( 618) = ( 0.5000000 -0.0000000 0.2305057), wk = 0.0014451 k( 619) = ( 0.5000000 -0.0000000 0.2225572), wk = 0.0014451 k( 620) = ( 0.5000000 -0.0000000 0.2146088), wk = 0.0014451 k( 621) = ( 0.5000000 -0.0000000 0.2066603), wk = 0.0014451 k( 622) = ( 0.5000000 -0.0000000 0.1987118), wk = 0.0014451 k( 623) = ( 0.5000000 -0.0000000 0.1907633), wk = 0.0014451 k( 624) = ( 0.5000000 -0.0000000 0.1828149), wk = 0.0014451 k( 625) = ( 0.5000000 -0.0000000 0.1748664), wk = 0.0014451 k( 626) = ( 0.5000000 -0.0000000 0.1669179), wk = 0.0014451 k( 627) = ( 0.5000000 -0.0000000 0.1589694), wk = 0.0014451 k( 628) = ( 0.5000000 -0.0000000 0.1510210), wk = 0.0014451 k( 629) = ( 0.5000000 -0.0000000 0.1430725), wk = 0.0014451 k( 630) = ( 0.5000000 -0.0000000 0.1351240), wk = 0.0014451 k( 631) = ( 0.5000000 -0.0000000 0.1271756), wk = 0.0014451 k( 632) = ( 0.5000000 -0.0000000 0.1192271), wk = 0.0014451 k( 633) = ( 0.5000000 -0.0000000 0.1112786), wk = 0.0014451 k( 634) = ( 0.5000000 -0.0000000 0.1033301), wk = 0.0014451 k( 635) = ( 0.5000000 -0.0000000 0.0953817), wk = 0.0014451 k( 636) = ( 0.5000000 -0.0000000 0.0874332), wk = 0.0014451 k( 637) = ( 0.5000000 -0.0000000 0.0794847), wk = 0.0014451 k( 638) = ( 0.5000000 -0.0000000 0.0715363), wk = 0.0014451 k( 639) = ( 0.5000000 -0.0000000 0.0635878), wk = 0.0014451 k( 640) = ( 0.5000000 -0.0000000 0.0556393), wk = 0.0014451 k( 641) = ( 0.5000000 -0.0000000 0.0476908), wk = 0.0014451 k( 642) = ( 0.5000000 -0.0000000 0.0397424), wk = 0.0014451 k( 643) = ( 0.5000000 -0.0000000 0.0317939), wk = 0.0014451 k( 644) = ( 0.5000000 -0.0000000 0.0238454), wk = 0.0014451 k( 645) = ( 0.5000000 -0.0000000 0.0158969), wk = 0.0014451 k( 646) = ( 0.5000000 -0.0000000 0.0079485), wk = 0.0014451 k( 647) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0014451 k( 648) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0014451 k( 649) = ( 0.5000000 0.5000000 0.0079485), wk = 0.0014451 k( 650) = ( 0.5000000 0.5000000 0.0158969), wk = 0.0014451 k( 651) = ( 0.5000000 0.5000000 0.0238454), wk = 0.0014451 k( 652) = ( 0.5000000 0.5000000 0.0317939), wk = 0.0014451 k( 653) = ( 0.5000000 0.5000000 0.0397424), wk = 0.0014451 k( 654) = ( 0.5000000 0.5000000 0.0476908), wk = 0.0014451 k( 655) = ( 0.5000000 0.5000000 0.0556393), wk = 0.0014451 k( 656) = ( 0.5000000 0.5000000 0.0635878), wk = 0.0014451 k( 657) = ( 0.5000000 0.5000000 0.0715363), wk = 0.0014451 k( 658) = ( 0.5000000 0.5000000 0.0794847), wk = 0.0014451 k( 659) = ( 0.5000000 0.5000000 0.0874332), wk = 0.0014451 k( 660) = ( 0.5000000 0.5000000 0.0953817), wk = 0.0014451 k( 661) = ( 0.5000000 0.5000000 0.1033301), wk = 0.0014451 k( 662) = ( 0.5000000 0.5000000 0.1112786), wk = 0.0014451 k( 663) = ( 0.5000000 0.5000000 0.1192271), wk = 0.0014451 k( 664) = ( 0.5000000 0.5000000 0.1271756), wk = 0.0014451 k( 665) = ( 0.5000000 0.5000000 0.1351240), wk = 0.0014451 k( 666) = ( 0.5000000 0.5000000 0.1430725), wk = 0.0014451 k( 667) = ( 0.5000000 0.5000000 0.1510210), wk = 0.0014451 k( 668) = ( 0.5000000 0.5000000 0.1589694), wk = 0.0014451 k( 669) = ( 0.5000000 0.5000000 0.1669179), wk = 0.0014451 k( 670) = ( 0.5000000 0.5000000 0.1748664), wk = 0.0014451 k( 671) = ( 0.5000000 0.5000000 0.1828149), wk = 0.0014451 k( 672) = ( 0.5000000 0.5000000 0.1907633), wk = 0.0014451 k( 673) = ( 0.5000000 0.5000000 0.1987118), wk = 0.0014451 k( 674) = ( 0.5000000 0.5000000 0.2066603), wk = 0.0014451 k( 675) = ( 0.5000000 0.5000000 0.2146088), wk = 0.0014451 k( 676) = ( 0.5000000 0.5000000 0.2225572), wk = 0.0014451 k( 677) = ( 0.5000000 0.5000000 0.2305057), wk = 0.0014451 k( 678) = ( 0.5000000 0.5000000 0.2384542), wk = 0.0014451 k( 679) = ( 0.5000000 0.5000000 0.2464026), wk = 0.0014451 k( 680) = ( 0.5000000 0.5000000 0.2543511), wk = 0.0014451 k( 681) = ( 0.5000000 0.5000000 0.2622996), wk = 0.0014451 k( 682) = ( 0.5000000 0.5000000 0.2702481), wk = 0.0014451 k( 683) = ( 0.5000000 0.5000000 0.2781965), wk = 0.0014451 k( 684) = ( 0.5000000 0.5000000 0.2861450), wk = 0.0014451 k( 685) = ( 0.5000000 0.5000000 0.2940935), wk = 0.0014451 k( 686) = ( 0.5000000 0.5000000 0.3020419), wk = 0.0014451 k( 687) = ( 0.5000000 0.5000000 0.3099904), wk = 0.0014451 k( 688) = ( 0.5000000 0.5000000 0.3179389), wk = 0.0014451 k( 689) = ( 0.5000000 0.5000000 0.3258874), wk = 0.0014451 k( 690) = ( 0.5000000 0.5000000 0.3338358), wk = 0.0014451 k( 691) = ( 0.5000000 0.5000000 0.3417843), wk = 0.0014451 k( 692) = ( 0.5000000 0.5000000 0.3497328), wk = 0.0014451 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014451 k( 2) = ( 0.0079365 0.0000000 -0.0000000), wk = 0.0014451 k( 3) = ( 0.0158730 0.0000000 -0.0000000), wk = 0.0014451 k( 4) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0014451 k( 5) = ( 0.0317460 0.0000000 0.0000000), wk = 0.0014451 k( 6) = ( 0.0396825 0.0000000 -0.0000000), wk = 0.0014451 k( 7) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0014451 k( 8) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0014451 k( 9) = ( 0.0634921 0.0000000 0.0000000), wk = 0.0014451 k( 10) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0014451 k( 11) = ( 0.0793651 0.0000000 -0.0000000), wk = 0.0014451 k( 12) = ( 0.0873016 0.0000000 0.0000000), wk = 0.0014451 k( 13) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0014451 k( 14) = ( 0.1031746 0.0000000 0.0000000), wk = 0.0014451 k( 15) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0014451 k( 16) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0014451 k( 17) = ( 0.1269841 0.0000000 -0.0000000), wk = 0.0014451 k( 18) = ( 0.1349206 0.0000000 0.0000000), wk = 0.0014451 k( 19) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0014451 k( 20) = ( 0.1507937 0.0000000 0.0000000), wk = 0.0014451 k( 21) = ( 0.1587302 0.0000000 -0.0000000), wk = 0.0014451 k( 22) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0014451 k( 23) = ( 0.1746032 0.0000000 -0.0000000), wk = 0.0014451 k( 24) = ( 0.1825397 0.0000000 0.0000000), wk = 0.0014451 k( 25) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0014451 k( 26) = ( 0.1984127 0.0000000 0.0000000), wk = 0.0014451 k( 27) = ( 0.2063492 0.0000000 0.0000000), wk = 0.0014451 k( 28) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0014451 k( 29) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0014451 k( 30) = ( 0.2301587 0.0000000 -0.0000000), wk = 0.0014451 k( 31) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0014451 k( 32) = ( 0.2460317 0.0000000 0.0000000), wk = 0.0014451 k( 33) = ( 0.2539683 0.0000000 0.0000000), wk = 0.0014451 k( 34) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0014451 k( 35) = ( 0.2698413 0.0000000 0.0000000), wk = 0.0014451 k( 36) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0014451 k( 37) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0014451 k( 38) = ( 0.2936508 0.0000000 0.0000000), wk = 0.0014451 k( 39) = ( 0.3015873 0.0000000 0.0000000), wk = 0.0014451 k( 40) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0014451 k( 41) = ( 0.3174603 0.0000000 -0.0000000), wk = 0.0014451 k( 42) = ( 0.3253968 0.0000000 0.0000000), wk = 0.0014451 k( 43) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0014451 k( 44) = ( 0.3412698 0.0000000 0.0000000), wk = 0.0014451 k( 45) = ( 0.3492063 0.0000000 0.0000000), wk = 0.0014451 k( 46) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0014451 k( 47) = ( 0.3650794 0.0000000 0.0000000), wk = 0.0014451 k( 48) = ( 0.3730159 0.0000000 0.0000000), wk = 0.0014451 k( 49) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0014451 k( 50) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0014451 k( 51) = ( 0.3968254 0.0000000 0.0000000), wk = 0.0014451 k( 52) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0014451 k( 53) = ( 0.4126984 0.0000000 0.0000000), wk = 0.0014451 k( 54) = ( 0.4206349 0.0000000 0.0000000), wk = 0.0014451 k( 55) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0014451 k( 56) = ( 0.4365079 0.0000000 0.0000000), wk = 0.0014451 k( 57) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0014451 k( 58) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0014451 k( 59) = ( 0.4603175 0.0000000 -0.0000000), wk = 0.0014451 k( 60) = ( 0.4682540 0.0000000 0.0000000), wk = 0.0014451 k( 61) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0014451 k( 62) = ( 0.4841270 0.0000000 0.0000000), wk = 0.0014451 k( 63) = ( 0.4920635 0.0000000 0.0000000), wk = 0.0014451 k( 64) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0014451 k( 65) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0014451 k( 66) = ( 0.5000000 0.0079365 0.0000000), wk = 0.0014451 k( 67) = ( 0.5000000 0.0158730 0.0000000), wk = 0.0014451 k( 68) = ( 0.5000000 0.0238095 0.0000000), wk = 0.0014451 k( 69) = ( 0.5000000 0.0317460 0.0000000), wk = 0.0014451 k( 70) = ( 0.5000000 0.0396825 0.0000000), wk = 0.0014451 k( 71) = ( 0.5000000 0.0476191 0.0000000), wk = 0.0014451 k( 72) = ( 0.5000000 0.0555556 0.0000000), wk = 0.0014451 k( 73) = ( 0.5000000 0.0634921 0.0000000), wk = 0.0014451 k( 74) = ( 0.5000000 0.0714286 0.0000000), wk = 0.0014451 k( 75) = ( 0.5000000 0.0793651 0.0000000), wk = 0.0014451 k( 76) = ( 0.5000000 0.0873016 -0.0000000), wk = 0.0014451 k( 77) = ( 0.5000000 0.0952381 0.0000000), wk = 0.0014451 k( 78) = ( 0.5000000 0.1031746 0.0000000), wk = 0.0014451 k( 79) = ( 0.5000000 0.1111111 0.0000000), wk = 0.0014451 k( 80) = ( 0.5000000 0.1190476 0.0000000), wk = 0.0014451 k( 81) = ( 0.5000000 0.1269841 0.0000000), wk = 0.0014451 k( 82) = ( 0.5000000 0.1349206 0.0000000), wk = 0.0014451 k( 83) = ( 0.5000000 0.1428571 0.0000000), wk = 0.0014451 k( 84) = ( 0.5000000 0.1507937 0.0000000), wk = 0.0014451 k( 85) = ( 0.5000000 0.1587302 0.0000000), wk = 0.0014451 k( 86) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0014451 k( 87) = ( 0.5000000 0.1746032 0.0000000), wk = 0.0014451 k( 88) = ( 0.5000000 0.1825397 0.0000000), wk = 0.0014451 k( 89) = ( 0.5000000 0.1904762 0.0000000), wk = 0.0014451 k( 90) = ( 0.5000000 0.1984127 0.0000000), wk = 0.0014451 k( 91) = ( 0.5000000 0.2063492 -0.0000000), wk = 0.0014451 k( 92) = ( 0.5000000 0.2142857 0.0000000), wk = 0.0014451 k( 93) = ( 0.5000000 0.2222222 0.0000000), wk = 0.0014451 k( 94) = ( 0.5000000 0.2301587 0.0000000), wk = 0.0014451 k( 95) = ( 0.5000000 0.2380952 0.0000000), wk = 0.0014451 k( 96) = ( 0.5000000 0.2460317 0.0000000), wk = 0.0014451 k( 97) = ( 0.5000000 0.2539683 0.0000000), wk = 0.0014451 k( 98) = ( 0.5000000 0.2619048 0.0000000), wk = 0.0014451 k( 99) = ( 0.5000000 0.2698413 0.0000000), wk = 0.0014451 k( 100) = ( 0.5000000 0.2777778 0.0000000), wk = 0.0014451 k( 101) = ( 0.5000000 0.2857143 0.0000000), wk = 0.0014451 k( 102) = ( 0.5000000 0.2936508 0.0000000), wk = 0.0014451 k( 103) = ( 0.5000000 0.3015873 0.0000000), wk = 0.0014451 k( 104) = ( 0.5000000 0.3095238 0.0000000), wk = 0.0014451 k( 105) = ( 0.5000000 0.3174603 0.0000000), wk = 0.0014451 k( 106) = ( 0.5000000 0.3253968 -0.0000000), wk = 0.0014451 k( 107) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0014451 k( 108) = ( 0.5000000 0.3412698 0.0000000), wk = 0.0014451 k( 109) = ( 0.5000000 0.3492063 0.0000000), wk = 0.0014451 k( 110) = ( 0.5000000 0.3571429 0.0000000), wk = 0.0014451 k( 111) = ( 0.5000000 0.3650794 0.0000000), wk = 0.0014451 k( 112) = ( 0.5000000 0.3730159 0.0000000), wk = 0.0014451 k( 113) = ( 0.5000000 0.3809524 0.0000000), wk = 0.0014451 k( 114) = ( 0.5000000 0.3888889 0.0000000), wk = 0.0014451 k( 115) = ( 0.5000000 0.3968254 0.0000000), wk = 0.0014451 k( 116) = ( 0.5000000 0.4047619 0.0000000), wk = 0.0014451 k( 117) = ( 0.5000000 0.4126984 0.0000000), wk = 0.0014451 k( 118) = ( 0.5000000 0.4206349 0.0000000), wk = 0.0014451 k( 119) = ( 0.5000000 0.4285714 0.0000000), wk = 0.0014451 k( 120) = ( 0.5000000 0.4365079 0.0000000), wk = 0.0014451 k( 121) = ( 0.5000000 0.4444444 0.0000000), wk = 0.0014451 k( 122) = ( 0.5000000 0.4523810 0.0000000), wk = 0.0014451 k( 123) = ( 0.5000000 0.4603175 0.0000000), wk = 0.0014451 k( 124) = ( 0.5000000 0.4682540 0.0000000), wk = 0.0014451 k( 125) = ( 0.5000000 0.4761905 0.0000000), wk = 0.0014451 k( 126) = ( 0.5000000 0.4841270 0.0000000), wk = 0.0014451 k( 127) = ( 0.5000000 0.4920635 0.0000000), wk = 0.0014451 k( 128) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0014451 k( 129) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0014451 k( 130) = ( 0.4920635 0.5000000 0.0000000), wk = 0.0014451 k( 131) = ( 0.4841270 0.5000000 0.0000000), wk = 0.0014451 k( 132) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0014451 k( 133) = ( 0.4682540 0.5000000 0.0000000), wk = 0.0014451 k( 134) = ( 0.4603175 0.5000000 0.0000000), wk = 0.0014451 k( 135) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0014451 k( 136) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0014451 k( 137) = ( 0.4365079 0.5000000 0.0000000), wk = 0.0014451 k( 138) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0014451 k( 139) = ( 0.4206349 0.5000000 0.0000000), wk = 0.0014451 k( 140) = ( 0.4126984 0.5000000 0.0000000), wk = 0.0014451 k( 141) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0014451 k( 142) = ( 0.3968254 0.5000000 0.0000000), wk = 0.0014451 k( 143) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0014451 k( 144) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0014451 k( 145) = ( 0.3730159 0.5000000 0.0000000), wk = 0.0014451 k( 146) = ( 0.3650794 0.5000000 -0.0000000), wk = 0.0014451 k( 147) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0014451 k( 148) = ( 0.3492063 0.5000000 -0.0000000), wk = 0.0014451 k( 149) = ( 0.3412698 0.5000000 0.0000000), wk = 0.0014451 k( 150) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0014451 k( 151) = ( 0.3253968 0.5000000 -0.0000000), wk = 0.0014451 k( 152) = ( 0.3174603 0.5000000 0.0000000), wk = 0.0014451 k( 153) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0014451 k( 154) = ( 0.3015873 0.5000000 0.0000000), wk = 0.0014451 k( 155) = ( 0.2936508 0.5000000 -0.0000000), wk = 0.0014451 k( 156) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0014451 k( 157) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0014451 k( 158) = ( 0.2698413 0.5000000 0.0000000), wk = 0.0014451 k( 159) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0014451 k( 160) = ( 0.2539683 0.5000000 0.0000000), wk = 0.0014451 k( 161) = ( 0.2460317 0.5000000 0.0000000), wk = 0.0014451 k( 162) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0014451 k( 163) = ( 0.2301587 0.5000000 0.0000000), wk = 0.0014451 k( 164) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0014451 k( 165) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0014451 k( 166) = ( 0.2063492 0.5000000 -0.0000000), wk = 0.0014451 k( 167) = ( 0.1984127 0.5000000 0.0000000), wk = 0.0014451 k( 168) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0014451 k( 169) = ( 0.1825397 0.5000000 0.0000000), wk = 0.0014451 k( 170) = ( 0.1746032 0.5000000 0.0000000), wk = 0.0014451 k( 171) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0014451 k( 172) = ( 0.1587302 0.5000000 0.0000000), wk = 0.0014451 k( 173) = ( 0.1507937 0.5000000 0.0000000), wk = 0.0014451 k( 174) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0014451 k( 175) = ( 0.1349206 0.5000000 0.0000000), wk = 0.0014451 k( 176) = ( 0.1269841 0.5000000 0.0000000), wk = 0.0014451 k( 177) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0014451 k( 178) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0014451 k( 179) = ( 0.1031746 0.5000000 0.0000000), wk = 0.0014451 k( 180) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0014451 k( 181) = ( 0.0873016 0.5000000 -0.0000000), wk = 0.0014451 k( 182) = ( 0.0793651 0.5000000 -0.0000000), wk = 0.0014451 k( 183) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0014451 k( 184) = ( 0.0634921 0.5000000 0.0000000), wk = 0.0014451 k( 185) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0014451 k( 186) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0014451 k( 187) = ( 0.0396825 0.5000000 0.0000000), wk = 0.0014451 k( 188) = ( 0.0317460 0.5000000 0.0000000), wk = 0.0014451 k( 189) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0014451 k( 190) = ( 0.0158730 0.5000000 0.0000000), wk = 0.0014451 k( 191) = ( 0.0079365 0.5000000 0.0000000), wk = 0.0014451 k( 192) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0014451 k( 193) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0014451 k( 194) = ( 0.0000000 0.4920635 0.0000000), wk = 0.0014451 k( 195) = ( 0.0000000 0.4841270 0.0000000), wk = 0.0014451 k( 196) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0014451 k( 197) = ( 0.0000000 0.4682540 0.0000000), wk = 0.0014451 k( 198) = ( 0.0000000 0.4603175 0.0000000), wk = 0.0014451 k( 199) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0014451 k( 200) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0014451 k( 201) = ( 0.0000000 0.4365079 0.0000000), wk = 0.0014451 k( 202) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0014451 k( 203) = ( 0.0000000 0.4206349 0.0000000), wk = 0.0014451 k( 204) = ( 0.0000000 0.4126984 0.0000000), wk = 0.0014451 k( 205) = ( 0.0000000 0.4047619 0.0000000), wk = 0.0014451 k( 206) = ( 0.0000000 0.3968254 0.0000000), wk = 0.0014451 k( 207) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0014451 k( 208) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0014451 k( 209) = ( 0.0000000 0.3730159 -0.0000000), wk = 0.0014451 k( 210) = ( 0.0000000 0.3650794 0.0000000), wk = 0.0014451 k( 211) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0014451 k( 212) = ( 0.0000000 0.3492063 0.0000000), wk = 0.0014451 k( 213) = ( 0.0000000 0.3412698 0.0000000), wk = 0.0014451 k( 214) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0014451 k( 215) = ( 0.0000000 0.3253968 0.0000000), wk = 0.0014451 k( 216) = ( 0.0000000 0.3174603 -0.0000000), wk = 0.0014451 k( 217) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0014451 k( 218) = ( 0.0000000 0.3015873 0.0000000), wk = 0.0014451 k( 219) = ( 0.0000000 0.2936508 0.0000000), wk = 0.0014451 k( 220) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0014451 k( 221) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0014451 k( 222) = ( 0.0000000 0.2698413 0.0000000), wk = 0.0014451 k( 223) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0014451 k( 224) = ( 0.0000000 0.2539683 0.0000000), wk = 0.0014451 k( 225) = ( 0.0000000 0.2460317 0.0000000), wk = 0.0014451 k( 226) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0014451 k( 227) = ( 0.0000000 0.2301587 0.0000000), wk = 0.0014451 k( 228) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0014451 k( 229) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0014451 k( 230) = ( 0.0000000 0.2063492 0.0000000), wk = 0.0014451 k( 231) = ( 0.0000000 0.1984127 0.0000000), wk = 0.0014451 k( 232) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0014451 k( 233) = ( 0.0000000 0.1825397 0.0000000), wk = 0.0014451 k( 234) = ( 0.0000000 0.1746032 -0.0000000), wk = 0.0014451 k( 235) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0014451 k( 236) = ( 0.0000000 0.1587302 -0.0000000), wk = 0.0014451 k( 237) = ( 0.0000000 0.1507937 0.0000000), wk = 0.0014451 k( 238) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0014451 k( 239) = ( 0.0000000 0.1349206 0.0000000), wk = 0.0014451 k( 240) = ( 0.0000000 0.1269841 -0.0000000), wk = 0.0014451 k( 241) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0014451 k( 242) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0014451 k( 243) = ( 0.0000000 0.1031746 0.0000000), wk = 0.0014451 k( 244) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0014451 k( 245) = ( 0.0000000 0.0873016 0.0000000), wk = 0.0014451 k( 246) = ( 0.0000000 0.0793651 -0.0000000), wk = 0.0014451 k( 247) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0014451 k( 248) = ( 0.0000000 0.0634921 0.0000000), wk = 0.0014451 k( 249) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0014451 k( 250) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0014451 k( 251) = ( 0.0000000 0.0396825 -0.0000000), wk = 0.0014451 k( 252) = ( 0.0000000 0.0317460 0.0000000), wk = 0.0014451 k( 253) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0014451 k( 254) = ( 0.0000000 0.0158730 -0.0000000), wk = 0.0014451 k( 255) = ( 0.0000000 0.0079365 -0.0000000), wk = 0.0014451 k( 256) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014451 k( 257) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0014451 k( 258) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0014451 k( 259) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0014451 k( 260) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0014451 k( 261) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0014451 k( 262) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0014451 k( 263) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0014451 k( 264) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0014451 k( 265) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0014451 k( 266) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0014451 k( 267) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0014451 k( 268) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0014451 k( 269) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0014451 k( 270) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0014451 k( 271) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0014451 k( 272) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0014451 k( 273) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0014451 k( 274) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0014451 k( 275) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0014451 k( 276) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0014451 k( 277) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0014451 k( 278) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0014451 k( 279) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0014451 k( 280) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0014451 k( 281) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0014451 k( 282) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0014451 k( 283) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0014451 k( 284) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0014451 k( 285) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0014451 k( 286) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0014451 k( 287) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0014451 k( 288) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0014451 k( 289) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0014451 k( 290) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0014451 k( 291) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0014451 k( 292) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0014451 k( 293) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0014451 k( 294) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0014451 k( 295) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0014451 k( 296) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0014451 k( 297) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0014451 k( 298) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0014451 k( 299) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0014451 k( 300) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0014451 k( 301) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0014451 k( 302) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0014451 k( 303) = ( 0.0079365 0.0000000 0.5000000), wk = 0.0014451 k( 304) = ( 0.0158730 0.0000000 0.5000000), wk = 0.0014451 k( 305) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0014451 k( 306) = ( 0.0317460 0.0000000 0.5000000), wk = 0.0014451 k( 307) = ( 0.0396825 0.0000000 0.5000000), wk = 0.0014451 k( 308) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0014451 k( 309) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0014451 k( 310) = ( 0.0634921 0.0000000 0.5000000), wk = 0.0014451 k( 311) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0014451 k( 312) = ( 0.0793651 0.0000000 0.5000000), wk = 0.0014451 k( 313) = ( 0.0873016 0.0000000 0.5000000), wk = 0.0014451 k( 314) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0014451 k( 315) = ( 0.1031746 0.0000000 0.5000000), wk = 0.0014451 k( 316) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0014451 k( 317) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0014451 k( 318) = ( 0.1269841 0.0000000 0.5000000), wk = 0.0014451 k( 319) = ( 0.1349206 0.0000000 0.5000000), wk = 0.0014451 k( 320) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0014451 k( 321) = ( 0.1507937 0.0000000 0.5000000), wk = 0.0014451 k( 322) = ( 0.1587302 0.0000000 0.5000000), wk = 0.0014451 k( 323) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0014451 k( 324) = ( 0.1746032 0.0000000 0.5000000), wk = 0.0014451 k( 325) = ( 0.1825397 0.0000000 0.5000000), wk = 0.0014451 k( 326) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0014451 k( 327) = ( 0.1984127 0.0000000 0.5000000), wk = 0.0014451 k( 328) = ( 0.2063492 0.0000000 0.5000000), wk = 0.0014451 k( 329) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0014451 k( 330) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0014451 k( 331) = ( 0.2301587 0.0000000 0.5000000), wk = 0.0014451 k( 332) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0014451 k( 333) = ( 0.2460317 0.0000000 0.5000000), wk = 0.0014451 k( 334) = ( 0.2539683 0.0000000 0.5000000), wk = 0.0014451 k( 335) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0014451 k( 336) = ( 0.2698413 0.0000000 0.5000000), wk = 0.0014451 k( 337) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0014451 k( 338) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0014451 k( 339) = ( 0.2936508 0.0000000 0.5000000), wk = 0.0014451 k( 340) = ( 0.3015873 0.0000000 0.5000000), wk = 0.0014451 k( 341) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0014451 k( 342) = ( 0.3174603 0.0000000 0.5000000), wk = 0.0014451 k( 343) = ( 0.3253968 0.0000000 0.5000000), wk = 0.0014451 k( 344) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0014451 k( 345) = ( 0.3412698 0.0000000 0.5000000), wk = 0.0014451 k( 346) = ( 0.3492063 0.0000000 0.5000000), wk = 0.0014451 k( 347) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0014451 k( 348) = ( 0.3650794 0.0000000 0.5000000), wk = 0.0014451 k( 349) = ( 0.3730159 0.0000000 0.5000000), wk = 0.0014451 k( 350) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0014451 k( 351) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0014451 k( 352) = ( 0.3968254 0.0000000 0.5000000), wk = 0.0014451 k( 353) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0014451 k( 354) = ( 0.4126984 0.0000000 0.5000000), wk = 0.0014451 k( 355) = ( 0.4206349 0.0000000 0.5000000), wk = 0.0014451 k( 356) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0014451 k( 357) = ( 0.4365079 0.0000000 0.5000000), wk = 0.0014451 k( 358) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0014451 k( 359) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0014451 k( 360) = ( 0.4603175 0.0000000 0.5000000), wk = 0.0014451 k( 361) = ( 0.4682540 0.0000000 0.5000000), wk = 0.0014451 k( 362) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0014451 k( 363) = ( 0.4841270 0.0000000 0.5000000), wk = 0.0014451 k( 364) = ( 0.4920635 0.0000000 0.5000000), wk = 0.0014451 k( 365) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0014451 k( 366) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0014451 k( 367) = ( 0.5000000 0.0079365 0.5000000), wk = 0.0014451 k( 368) = ( 0.5000000 0.0158730 0.5000000), wk = 0.0014451 k( 369) = ( 0.5000000 0.0238095 0.5000000), wk = 0.0014451 k( 370) = ( 0.5000000 0.0317460 0.5000000), wk = 0.0014451 k( 371) = ( 0.5000000 0.0396825 0.5000000), wk = 0.0014451 k( 372) = ( 0.5000000 0.0476191 0.5000000), wk = 0.0014451 k( 373) = ( 0.5000000 0.0555556 0.5000000), wk = 0.0014451 k( 374) = ( 0.5000000 0.0634921 0.5000000), wk = 0.0014451 k( 375) = ( 0.5000000 0.0714286 0.5000000), wk = 0.0014451 k( 376) = ( 0.5000000 0.0793651 0.5000000), wk = 0.0014451 k( 377) = ( 0.5000000 0.0873016 0.5000000), wk = 0.0014451 k( 378) = ( 0.5000000 0.0952381 0.5000000), wk = 0.0014451 k( 379) = ( 0.5000000 0.1031746 0.5000000), wk = 0.0014451 k( 380) = ( 0.5000000 0.1111111 0.5000000), wk = 0.0014451 k( 381) = ( 0.5000000 0.1190476 0.5000000), wk = 0.0014451 k( 382) = ( 0.5000000 0.1269841 0.5000000), wk = 0.0014451 k( 383) = ( 0.5000000 0.1349206 0.5000000), wk = 0.0014451 k( 384) = ( 0.5000000 0.1428571 0.5000000), wk = 0.0014451 k( 385) = ( 0.5000000 0.1507937 0.5000000), wk = 0.0014451 k( 386) = ( 0.5000000 0.1587302 0.5000000), wk = 0.0014451 k( 387) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0014451 k( 388) = ( 0.5000000 0.1746032 0.5000000), wk = 0.0014451 k( 389) = ( 0.5000000 0.1825397 0.5000000), wk = 0.0014451 k( 390) = ( 0.5000000 0.1904762 0.5000000), wk = 0.0014451 k( 391) = ( 0.5000000 0.1984127 0.5000000), wk = 0.0014451 k( 392) = ( 0.5000000 0.2063492 0.5000000), wk = 0.0014451 k( 393) = ( 0.5000000 0.2142857 0.5000000), wk = 0.0014451 k( 394) = ( 0.5000000 0.2222222 0.5000000), wk = 0.0014451 k( 395) = ( 0.5000000 0.2301587 0.5000000), wk = 0.0014451 k( 396) = ( 0.5000000 0.2380952 0.5000000), wk = 0.0014451 k( 397) = ( 0.5000000 0.2460317 0.5000000), wk = 0.0014451 k( 398) = ( 0.5000000 0.2539683 0.5000000), wk = 0.0014451 k( 399) = ( 0.5000000 0.2619048 0.5000000), wk = 0.0014451 k( 400) = ( 0.5000000 0.2698413 0.5000000), wk = 0.0014451 k( 401) = ( 0.5000000 0.2777778 0.5000000), wk = 0.0014451 k( 402) = ( 0.5000000 0.2857143 0.5000000), wk = 0.0014451 k( 403) = ( 0.5000000 0.2936508 0.5000000), wk = 0.0014451 k( 404) = ( 0.5000000 0.3015873 0.5000000), wk = 0.0014451 k( 405) = ( 0.5000000 0.3095238 0.5000000), wk = 0.0014451 k( 406) = ( 0.5000000 0.3174603 0.5000000), wk = 0.0014451 k( 407) = ( 0.5000000 0.3253968 0.5000000), wk = 0.0014451 k( 408) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0014451 k( 409) = ( 0.5000000 0.3412698 0.5000000), wk = 0.0014451 k( 410) = ( 0.5000000 0.3492063 0.5000000), wk = 0.0014451 k( 411) = ( 0.5000000 0.3571429 0.5000000), wk = 0.0014451 k( 412) = ( 0.5000000 0.3650794 0.5000000), wk = 0.0014451 k( 413) = ( 0.5000000 0.3730159 0.5000000), wk = 0.0014451 k( 414) = ( 0.5000000 0.3809524 0.5000000), wk = 0.0014451 k( 415) = ( 0.5000000 0.3888889 0.5000000), wk = 0.0014451 k( 416) = ( 0.5000000 0.3968254 0.5000000), wk = 0.0014451 k( 417) = ( 0.5000000 0.4047619 0.5000000), wk = 0.0014451 k( 418) = ( 0.5000000 0.4126984 0.5000000), wk = 0.0014451 k( 419) = ( 0.5000000 0.4206349 0.5000000), wk = 0.0014451 k( 420) = ( 0.5000000 0.4285714 0.5000000), wk = 0.0014451 k( 421) = ( 0.5000000 0.4365079 0.5000000), wk = 0.0014451 k( 422) = ( 0.5000000 0.4444444 0.5000000), wk = 0.0014451 k( 423) = ( 0.5000000 0.4523810 0.5000000), wk = 0.0014451 k( 424) = ( 0.5000000 0.4603175 0.5000000), wk = 0.0014451 k( 425) = ( 0.5000000 0.4682540 0.5000000), wk = 0.0014451 k( 426) = ( 0.5000000 0.4761905 0.5000000), wk = 0.0014451 k( 427) = ( 0.5000000 0.4841270 0.5000000), wk = 0.0014451 k( 428) = ( 0.5000000 0.4920635 0.5000000), wk = 0.0014451 k( 429) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0014451 k( 430) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0014451 k( 431) = ( 0.4920635 0.5000000 0.5000000), wk = 0.0014451 k( 432) = ( 0.4841270 0.5000000 0.5000000), wk = 0.0014451 k( 433) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0014451 k( 434) = ( 0.4682540 0.5000000 0.5000000), wk = 0.0014451 k( 435) = ( 0.4603175 0.5000000 0.5000000), wk = 0.0014451 k( 436) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0014451 k( 437) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0014451 k( 438) = ( 0.4365079 0.5000000 0.5000000), wk = 0.0014451 k( 439) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0014451 k( 440) = ( 0.4206349 0.5000000 0.5000000), wk = 0.0014451 k( 441) = ( 0.4126984 0.5000000 0.5000000), wk = 0.0014451 k( 442) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0014451 k( 443) = ( 0.3968254 0.5000000 0.5000000), wk = 0.0014451 k( 444) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0014451 k( 445) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0014451 k( 446) = ( 0.3730159 0.5000000 0.5000000), wk = 0.0014451 k( 447) = ( 0.3650794 0.5000000 0.5000000), wk = 0.0014451 k( 448) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0014451 k( 449) = ( 0.3492063 0.5000000 0.5000000), wk = 0.0014451 k( 450) = ( 0.3412698 0.5000000 0.5000000), wk = 0.0014451 k( 451) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0014451 k( 452) = ( 0.3253968 0.5000000 0.5000000), wk = 0.0014451 k( 453) = ( 0.3174603 0.5000000 0.5000000), wk = 0.0014451 k( 454) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0014451 k( 455) = ( 0.3015873 0.5000000 0.5000000), wk = 0.0014451 k( 456) = ( 0.2936508 0.5000000 0.5000000), wk = 0.0014451 k( 457) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0014451 k( 458) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0014451 k( 459) = ( 0.2698413 0.5000000 0.5000000), wk = 0.0014451 k( 460) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0014451 k( 461) = ( 0.2539683 0.5000000 0.5000000), wk = 0.0014451 k( 462) = ( 0.2460317 0.5000000 0.5000000), wk = 0.0014451 k( 463) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0014451 k( 464) = ( 0.2301587 0.5000000 0.5000000), wk = 0.0014451 k( 465) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0014451 k( 466) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0014451 k( 467) = ( 0.2063492 0.5000000 0.5000000), wk = 0.0014451 k( 468) = ( 0.1984127 0.5000000 0.5000000), wk = 0.0014451 k( 469) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0014451 k( 470) = ( 0.1825397 0.5000000 0.5000000), wk = 0.0014451 k( 471) = ( 0.1746032 0.5000000 0.5000000), wk = 0.0014451 k( 472) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0014451 k( 473) = ( 0.1587302 0.5000000 0.5000000), wk = 0.0014451 k( 474) = ( 0.1507937 0.5000000 0.5000000), wk = 0.0014451 k( 475) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0014451 k( 476) = ( 0.1349206 0.5000000 0.5000000), wk = 0.0014451 k( 477) = ( 0.1269841 0.5000000 0.5000000), wk = 0.0014451 k( 478) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0014451 k( 479) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0014451 k( 480) = ( 0.1031746 0.5000000 0.5000000), wk = 0.0014451 k( 481) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0014451 k( 482) = ( 0.0873016 0.5000000 0.5000000), wk = 0.0014451 k( 483) = ( 0.0793651 0.5000000 0.5000000), wk = 0.0014451 k( 484) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0014451 k( 485) = ( 0.0634921 0.5000000 0.5000000), wk = 0.0014451 k( 486) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0014451 k( 487) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0014451 k( 488) = ( 0.0396825 0.5000000 0.5000000), wk = 0.0014451 k( 489) = ( 0.0317460 0.5000000 0.5000000), wk = 0.0014451 k( 490) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0014451 k( 491) = ( 0.0158730 0.5000000 0.5000000), wk = 0.0014451 k( 492) = ( 0.0079365 0.5000000 0.5000000), wk = 0.0014451 k( 493) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0014451 k( 494) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0014451 k( 495) = ( 0.0000000 0.4920635 0.5000000), wk = 0.0014451 k( 496) = ( 0.0000000 0.4841270 0.5000000), wk = 0.0014451 k( 497) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0014451 k( 498) = ( 0.0000000 0.4682540 0.5000000), wk = 0.0014451 k( 499) = ( 0.0000000 0.4603175 0.5000000), wk = 0.0014451 k( 500) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0014451 k( 501) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0014451 k( 502) = ( 0.0000000 0.4365079 0.5000000), wk = 0.0014451 k( 503) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0014451 k( 504) = ( 0.0000000 0.4206349 0.5000000), wk = 0.0014451 k( 505) = ( 0.0000000 0.4126984 0.5000000), wk = 0.0014451 k( 506) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0014451 k( 507) = ( 0.0000000 0.3968254 0.5000000), wk = 0.0014451 k( 508) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0014451 k( 509) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0014451 k( 510) = ( 0.0000000 0.3730159 0.5000000), wk = 0.0014451 k( 511) = ( 0.0000000 0.3650794 0.5000000), wk = 0.0014451 k( 512) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0014451 k( 513) = ( 0.0000000 0.3492063 0.5000000), wk = 0.0014451 k( 514) = ( 0.0000000 0.3412698 0.5000000), wk = 0.0014451 k( 515) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0014451 k( 516) = ( 0.0000000 0.3253968 0.5000000), wk = 0.0014451 k( 517) = ( 0.0000000 0.3174603 0.5000000), wk = 0.0014451 k( 518) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0014451 k( 519) = ( 0.0000000 0.3015873 0.5000000), wk = 0.0014451 k( 520) = ( 0.0000000 0.2936508 0.5000000), wk = 0.0014451 k( 521) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0014451 k( 522) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0014451 k( 523) = ( 0.0000000 0.2698413 0.5000000), wk = 0.0014451 k( 524) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0014451 k( 525) = ( 0.0000000 0.2539683 0.5000000), wk = 0.0014451 k( 526) = ( 0.0000000 0.2460317 0.5000000), wk = 0.0014451 k( 527) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0014451 k( 528) = ( 0.0000000 0.2301587 0.5000000), wk = 0.0014451 k( 529) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0014451 k( 530) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0014451 k( 531) = ( 0.0000000 0.2063492 0.5000000), wk = 0.0014451 k( 532) = ( 0.0000000 0.1984127 0.5000000), wk = 0.0014451 k( 533) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0014451 k( 534) = ( 0.0000000 0.1825397 0.5000000), wk = 0.0014451 k( 535) = ( 0.0000000 0.1746032 0.5000000), wk = 0.0014451 k( 536) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0014451 k( 537) = ( 0.0000000 0.1587302 0.5000000), wk = 0.0014451 k( 538) = ( 0.0000000 0.1507937 0.5000000), wk = 0.0014451 k( 539) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0014451 k( 540) = ( 0.0000000 0.1349206 0.5000000), wk = 0.0014451 k( 541) = ( 0.0000000 0.1269841 0.5000000), wk = 0.0014451 k( 542) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0014451 k( 543) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0014451 k( 544) = ( 0.0000000 0.1031746 0.5000000), wk = 0.0014451 k( 545) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0014451 k( 546) = ( 0.0000000 0.0873016 0.5000000), wk = 0.0014451 k( 547) = ( 0.0000000 0.0793651 0.5000000), wk = 0.0014451 k( 548) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0014451 k( 549) = ( 0.0000000 0.0634921 0.5000000), wk = 0.0014451 k( 550) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0014451 k( 551) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0014451 k( 552) = ( 0.0000000 0.0396825 0.5000000), wk = 0.0014451 k( 553) = ( 0.0000000 0.0317460 0.5000000), wk = 0.0014451 k( 554) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0014451 k( 555) = ( 0.0000000 0.0158730 0.5000000), wk = 0.0014451 k( 556) = ( 0.0000000 0.0079365 0.5000000), wk = 0.0014451 k( 557) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0014451 k( 558) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0014451 k( 559) = ( 0.0000000 0.5000000 0.0113636), wk = 0.0014451 k( 560) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0014451 k( 561) = ( 0.0000000 0.5000000 0.0340909), wk = 0.0014451 k( 562) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0014451 k( 563) = ( 0.0000000 0.5000000 0.0568182), wk = 0.0014451 k( 564) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0014451 k( 565) = ( 0.0000000 0.5000000 0.0795455), wk = 0.0014451 k( 566) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0014451 k( 567) = ( 0.0000000 0.5000000 0.1022727), wk = 0.0014451 k( 568) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0014451 k( 569) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0014451 k( 570) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0014451 k( 571) = ( 0.0000000 0.5000000 0.1477273), wk = 0.0014451 k( 572) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0014451 k( 573) = ( 0.0000000 0.5000000 0.1704546), wk = 0.0014451 k( 574) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0014451 k( 575) = ( 0.0000000 0.5000000 0.1931818), wk = 0.0014451 k( 576) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0014451 k( 577) = ( 0.0000000 0.5000000 0.2159091), wk = 0.0014451 k( 578) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0014451 k( 579) = ( 0.0000000 0.5000000 0.2386364), wk = 0.0014451 k( 580) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0014451 k( 581) = ( 0.0000000 0.5000000 0.2613636), wk = 0.0014451 k( 582) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0014451 k( 583) = ( 0.0000000 0.5000000 0.2840909), wk = 0.0014451 k( 584) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0014451 k( 585) = ( 0.0000000 0.5000000 0.3068182), wk = 0.0014451 k( 586) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0014451 k( 587) = ( 0.0000000 0.5000000 0.3295455), wk = 0.0014451 k( 588) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0014451 k( 589) = ( 0.0000000 0.5000000 0.3522727), wk = 0.0014451 k( 590) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0014451 k( 591) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0014451 k( 592) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0014451 k( 593) = ( 0.0000000 0.5000000 0.3977273), wk = 0.0014451 k( 594) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0014451 k( 595) = ( 0.0000000 0.5000000 0.4204545), wk = 0.0014451 k( 596) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0014451 k( 597) = ( 0.0000000 0.5000000 0.4431818), wk = 0.0014451 k( 598) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0014451 k( 599) = ( 0.0000000 0.5000000 0.4659091), wk = 0.0014451 k( 600) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0014451 k( 601) = ( 0.0000000 0.5000000 0.4886364), wk = 0.0014451 k( 602) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0014451 k( 603) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0014451 k( 604) = ( 0.5000000 0.0000000 0.4886364), wk = 0.0014451 k( 605) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0014451 k( 606) = ( 0.5000000 0.0000000 0.4659091), wk = 0.0014451 k( 607) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0014451 k( 608) = ( 0.5000000 0.0000000 0.4431818), wk = 0.0014451 k( 609) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0014451 k( 610) = ( 0.5000000 0.0000000 0.4204545), wk = 0.0014451 k( 611) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0014451 k( 612) = ( 0.5000000 0.0000000 0.3977273), wk = 0.0014451 k( 613) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0014451 k( 614) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0014451 k( 615) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0014451 k( 616) = ( 0.5000000 0.0000000 0.3522727), wk = 0.0014451 k( 617) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0014451 k( 618) = ( 0.5000000 0.0000000 0.3295455), wk = 0.0014451 k( 619) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0014451 k( 620) = ( 0.5000000 0.0000000 0.3068182), wk = 0.0014451 k( 621) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0014451 k( 622) = ( 0.5000000 0.0000000 0.2840909), wk = 0.0014451 k( 623) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0014451 k( 624) = ( 0.5000000 0.0000000 0.2613636), wk = 0.0014451 k( 625) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0014451 k( 626) = ( 0.5000000 0.0000000 0.2386364), wk = 0.0014451 k( 627) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0014451 k( 628) = ( 0.5000000 0.0000000 0.2159091), wk = 0.0014451 k( 629) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0014451 k( 630) = ( 0.5000000 0.0000000 0.1931818), wk = 0.0014451 k( 631) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0014451 k( 632) = ( 0.5000000 0.0000000 0.1704546), wk = 0.0014451 k( 633) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0014451 k( 634) = ( 0.5000000 0.0000000 0.1477273), wk = 0.0014451 k( 635) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0014451 k( 636) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0014451 k( 637) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0014451 k( 638) = ( 0.5000000 0.0000000 0.1022727), wk = 0.0014451 k( 639) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0014451 k( 640) = ( 0.5000000 0.0000000 0.0795455), wk = 0.0014451 k( 641) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0014451 k( 642) = ( 0.5000000 0.0000000 0.0568182), wk = 0.0014451 k( 643) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0014451 k( 644) = ( 0.5000000 0.0000000 0.0340909), wk = 0.0014451 k( 645) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0014451 k( 646) = ( 0.5000000 0.0000000 0.0113636), wk = 0.0014451 k( 647) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0014451 k( 648) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0014451 k( 649) = ( 0.5000000 0.5000000 0.0113636), wk = 0.0014451 k( 650) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0014451 k( 651) = ( 0.5000000 0.5000000 0.0340909), wk = 0.0014451 k( 652) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0014451 k( 653) = ( 0.5000000 0.5000000 0.0568182), wk = 0.0014451 k( 654) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0014451 k( 655) = ( 0.5000000 0.5000000 0.0795455), wk = 0.0014451 k( 656) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0014451 k( 657) = ( 0.5000000 0.5000000 0.1022727), wk = 0.0014451 k( 658) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0014451 k( 659) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0014451 k( 660) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0014451 k( 661) = ( 0.5000000 0.5000000 0.1477273), wk = 0.0014451 k( 662) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0014451 k( 663) = ( 0.5000000 0.5000000 0.1704546), wk = 0.0014451 k( 664) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0014451 k( 665) = ( 0.5000000 0.5000000 0.1931818), wk = 0.0014451 k( 666) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0014451 k( 667) = ( 0.5000000 0.5000000 0.2159091), wk = 0.0014451 k( 668) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0014451 k( 669) = ( 0.5000000 0.5000000 0.2386364), wk = 0.0014451 k( 670) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0014451 k( 671) = ( 0.5000000 0.5000000 0.2613636), wk = 0.0014451 k( 672) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0014451 k( 673) = ( 0.5000000 0.5000000 0.2840909), wk = 0.0014451 k( 674) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0014451 k( 675) = ( 0.5000000 0.5000000 0.3068182), wk = 0.0014451 k( 676) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0014451 k( 677) = ( 0.5000000 0.5000000 0.3295455), wk = 0.0014451 k( 678) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0014451 k( 679) = ( 0.5000000 0.5000000 0.3522727), wk = 0.0014451 k( 680) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0014451 k( 681) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0014451 k( 682) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0014451 k( 683) = ( 0.5000000 0.5000000 0.3977273), wk = 0.0014451 k( 684) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0014451 k( 685) = ( 0.5000000 0.5000000 0.4204546), wk = 0.0014451 k( 686) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0014451 k( 687) = ( 0.5000000 0.5000000 0.4431818), wk = 0.0014451 k( 688) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0014451 k( 689) = ( 0.5000000 0.5000000 0.4659091), wk = 0.0014451 k( 690) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0014451 k( 691) = ( 0.5000000 0.5000000 0.4886364), wk = 0.0014451 k( 692) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0014451 Dense grid: 15535 G-vectors FFT dimensions: ( 27, 27, 40) Smooth grid: 6129 G-vectors FFT dimensions: ( 24, 24, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 32, 24) NL pseudopotentials 0.01 Mb ( 16, 56) Each V/rho on FFT grid 0.01 Mb ( 729) Each G-vector array 0.00 Mb ( 327) G-vector shells 0.00 Mb ( 161) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 32, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.04 Mb ( 56, 2, 24) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./BC2N.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.0 secs Computing kpt #: 2 total cpu time spent up to now is 39.2 secs Computing kpt #: 3 total cpu time spent up to now is 39.4 secs Computing kpt #: 4 total cpu time spent up to now is 39.7 secs Computing kpt #: 5 total cpu time spent up to now is 39.9 secs Computing kpt #: 6 total cpu time spent up to now is 40.1 secs Computing kpt #: 7 total cpu time spent up to now is 40.3 secs Computing kpt #: 8 total cpu time spent up to now is 40.5 secs Computing kpt #: 9 total cpu time spent up to now is 40.8 secs Computing kpt #: 10 total cpu time spent up to now is 41.0 secs Computing kpt #: 11 total cpu time spent up to now is 41.3 secs Computing kpt #: 12 total cpu time spent up to now is 41.5 secs Computing kpt #: 13 total cpu time spent up to now is 41.7 secs Computing kpt #: 14 total cpu time spent up to now is 41.9 secs Computing kpt #: 15 total cpu time spent up to now is 42.1 secs Computing kpt #: 16 total cpu time spent up to now is 42.4 secs Computing kpt #: 17 total cpu time spent up to now is 42.6 secs Computing kpt #: 18 total cpu time spent up to now is 42.9 secs Computing kpt #: 19 total cpu time spent up to now is 43.1 secs Computing kpt #: 20 total cpu time spent up to now is 43.3 secs Computing kpt #: 21 total cpu time spent up to now is 43.5 secs Computing kpt #: 22 total cpu time spent up to now is 43.7 secs Computing kpt #: 23 total cpu time spent up to now is 43.9 secs Computing kpt #: 24 total cpu time spent up to now is 44.1 secs Computing kpt #: 25 total cpu time spent up to now is 44.2 secs Computing kpt #: 26 total cpu time spent up to now is 44.4 secs Computing kpt #: 27 total cpu time spent up to now is 44.6 secs Computing kpt #: 28 total cpu time spent up to now is 44.8 secs Computing kpt #: 29 total cpu time spent up to now is 45.0 secs Computing kpt #: 30 total cpu time spent up to now is 45.1 secs Computing kpt #: 31 total cpu time spent up to now is 45.4 secs Computing kpt #: 32 total cpu time spent up to now is 45.6 secs Computing kpt #: 33 total cpu time spent up to now is 45.8 secs Computing kpt #: 34 total cpu time spent up to now is 46.1 secs Computing kpt #: 35 total cpu time spent up to now is 46.4 secs Computing kpt #: 36 total cpu time spent up to now is 46.7 secs Computing kpt #: 37 total cpu time spent up to now is 47.0 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 47.6 secs Computing kpt #: 40 total cpu time spent up to now is 47.8 secs Computing kpt #: 41 total cpu time spent up to now is 48.0 secs Computing kpt #: 42 total cpu time spent up to now is 48.2 secs Computing kpt #: 43 total cpu time spent up to now is 48.4 secs Computing kpt #: 44 total cpu time spent up to now is 48.6 secs Computing kpt #: 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51.9 secs Computing kpt #: 61 total cpu time spent up to now is 52.1 secs Computing kpt #: 62 total cpu time spent up to now is 52.3 secs Computing kpt #: 63 total cpu time spent up to now is 52.5 secs Computing kpt #: 64 total cpu time spent up to now is 52.7 secs Computing kpt #: 65 total cpu time spent up to now is 52.9 secs Computing kpt #: 66 total cpu time spent up to now is 53.1 secs Computing kpt #: 67 total cpu time spent up to now is 53.3 secs Computing kpt #: 68 total cpu time spent up to now is 53.5 secs Computing kpt #: 69 total cpu time spent up to now is 53.7 secs Computing kpt #: 70 total cpu time spent up to now is 53.9 secs Computing kpt #: 71 total cpu time spent up to now is 54.0 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 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Computing kpt #: 92 total cpu time spent up to now is 58.8 secs Computing kpt #: 93 total cpu time spent up to now is 59.1 secs Computing kpt #: 94 total cpu time spent up to now is 59.3 secs Computing kpt #: 95 total cpu time spent up to now is 59.7 secs Computing kpt #: 96 total cpu time spent up to now is 60.0 secs Computing kpt #: 97 total cpu time spent up to now is 60.2 secs Computing kpt #: 98 total cpu time spent up to now is 60.4 secs Computing kpt #: 99 total cpu time spent up to now is 60.6 secs Computing kpt #: 100 total cpu time spent up to now is 60.8 secs Computing kpt #: 101 total cpu time spent up to now is 61.0 secs Computing kpt #: 102 total cpu time spent up to now is 61.2 secs Computing kpt #: 103 total cpu time spent up to now is 61.4 secs Computing kpt #: 104 total cpu time spent up to now is 61.5 secs Computing kpt #: 105 total cpu time spent up to now is 61.7 secs Computing kpt #: 106 total cpu time spent up to now is 61.9 secs Computing kpt #: 107 total cpu 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spent up to now is 71.1 secs Computing kpt #: 154 total cpu time spent up to now is 71.3 secs Computing kpt #: 155 total cpu time spent up to now is 71.5 secs Computing kpt #: 156 total cpu time spent up to now is 71.7 secs Computing kpt #: 157 total cpu time spent up to now is 72.0 secs Computing kpt #: 158 total cpu time spent up to now is 72.2 secs Computing kpt #: 159 total cpu time spent up to now is 72.4 secs Computing kpt #: 160 total cpu time spent up to now is 72.6 secs Computing kpt #: 161 total cpu time spent up to now is 72.8 secs Computing kpt #: 162 total cpu time spent up to now is 73.0 secs Computing kpt #: 163 total cpu time spent up to now is 73.2 secs Computing kpt #: 164 total cpu time spent up to now is 73.4 secs Computing kpt #: 165 total cpu time spent up to now is 73.7 secs Computing kpt #: 166 total cpu time spent up to now is 73.9 secs Computing kpt #: 167 total cpu time spent up to now is 74.3 secs Computing kpt #: 168 total cpu time spent up to now is 74.6 secs Computing kpt #: 169 total cpu time spent up to now is 74.9 secs Computing kpt #: 170 total cpu time spent up to now is 75.2 secs Computing kpt #: 171 total cpu time spent up to now is 75.5 secs Computing kpt #: 172 total cpu time spent up to now is 75.8 secs Computing kpt #: 173 total cpu time spent up to now is 76.1 secs Computing kpt #: 174 total cpu time spent up to now is 76.4 secs Computing kpt #: 175 total cpu time spent up to now is 76.8 secs Computing kpt #: 176 total cpu time spent up to now is 77.1 secs Computing kpt #: 177 total cpu time spent up to now is 77.3 secs Computing kpt #: 178 total cpu time spent up to now is 77.7 secs Computing kpt #: 179 total cpu time spent up to now is 78.0 secs Computing kpt #: 180 total cpu time spent up to now is 78.2 secs Computing kpt #: 181 total cpu time spent up to now is 78.5 secs Computing kpt #: 182 total cpu time spent up to now is 78.7 secs Computing kpt #: 183 total cpu time spent up to now is 79.0 secs Computing kpt #: 184 total cpu time spent up to now is 79.3 secs Computing kpt #: 185 total cpu time spent up to now is 79.5 secs Computing kpt #: 186 total cpu time spent up to now is 79.8 secs Computing kpt #: 187 total cpu time spent up to now is 80.1 secs Computing kpt #: 188 total cpu time spent up to now is 80.4 secs Computing kpt #: 189 total cpu time spent up to now is 80.6 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 81.3 secs Computing kpt #: 192 total cpu time spent up to now is 81.6 secs Computing kpt #: 193 total cpu time spent up to now is 81.9 secs Computing kpt #: 194 total cpu time spent up to now is 82.3 secs Computing kpt #: 195 total cpu time spent up to now is 82.5 secs Computing kpt #: 196 total cpu time spent up to now is 82.8 secs Computing kpt #: 197 total cpu time spent up to now is 83.2 secs Computing kpt #: 198 total cpu time spent up to now is 83.4 secs Computing kpt #: 199 total cpu time spent up to now is 83.7 secs Computing kpt #: 200 total cpu time spent up to now is 84.0 secs Computing kpt #: 201 total cpu time spent up to now is 84.3 secs Computing kpt #: 202 total cpu time spent up to now is 84.5 secs Computing kpt #: 203 total cpu time spent up to now is 84.8 secs Computing kpt #: 204 total cpu time spent up to now is 85.0 secs Computing kpt #: 205 total cpu time spent up to now is 85.3 secs Computing kpt #: 206 total cpu time spent up to now is 85.5 secs Computing kpt #: 207 total cpu time spent up to now is 85.8 secs Computing kpt #: 208 total cpu time spent up to now is 86.0 secs Computing kpt #: 209 total cpu time spent up to now is 86.2 secs Computing kpt #: 210 total cpu time spent up to now is 86.4 secs Computing kpt #: 211 total cpu time spent up to now is 86.6 secs Computing kpt #: 212 total cpu time spent up to now is 86.8 secs Computing kpt #: 213 total cpu time spent up to now is 87.0 secs Computing kpt #: 214 total cpu time spent up to now is 87.3 secs Computing kpt #: 215 total cpu time spent up to now is 87.5 secs Computing kpt #: 216 total cpu time spent up to now is 87.7 secs Computing kpt #: 217 total cpu time spent up to now is 88.0 secs Computing kpt #: 218 total cpu time spent up to now is 88.3 secs Computing kpt #: 219 total cpu time spent up to now is 88.5 secs Computing kpt #: 220 total cpu time spent up to now is 88.7 secs Computing kpt #: 221 total cpu time spent up to now is 89.0 secs Computing kpt #: 222 total cpu time spent up to now is 89.2 secs Computing kpt #: 223 total cpu time spent up to now is 89.6 secs Computing kpt #: 224 total cpu time spent up to now is 89.8 secs Computing kpt #: 225 total cpu time spent up to now is 90.0 secs Computing kpt #: 226 total cpu time spent up to now is 90.2 secs Computing kpt #: 227 total cpu time spent up to now is 90.4 secs Computing kpt #: 228 total cpu time spent up to now is 90.7 secs Computing kpt #: 229 total cpu time spent up to now is 90.9 secs Computing kpt #: 230 total cpu time spent up to now is 91.1 secs Computing kpt #: 231 total cpu time spent up to now is 91.3 secs Computing kpt #: 232 total cpu time spent up to now is 91.5 secs Computing kpt #: 233 total cpu time spent up to now is 91.7 secs Computing kpt #: 234 total cpu time spent up to now is 92.0 secs Computing kpt #: 235 total cpu time spent up to now is 92.2 secs Computing kpt #: 236 total cpu time spent up to now is 92.4 secs Computing kpt #: 237 total cpu time spent up to now is 92.6 secs Computing kpt #: 238 total cpu time spent up to now is 92.8 secs Computing kpt #: 239 total cpu time spent up to now is 93.0 secs Computing kpt #: 240 total cpu time spent up to now is 93.2 secs Computing kpt #: 241 total cpu time spent up to now is 93.5 secs Computing kpt #: 242 total cpu time spent up to now is 93.7 secs Computing kpt #: 243 total cpu time spent up to now is 93.9 secs Computing kpt #: 244 total cpu time spent up to now is 94.2 secs Computing kpt #: 245 total cpu time spent up to now is 94.4 secs Computing kpt #: 246 total cpu time spent up to now is 94.7 secs Computing kpt #: 247 total cpu time spent up to now is 95.0 secs Computing kpt #: 248 total cpu time spent up to now is 95.3 secs Computing kpt #: 249 total cpu time spent up to now is 95.8 secs Computing kpt #: 250 total cpu time spent up to now is 96.1 secs Computing kpt #: 251 total cpu time spent up to now is 96.4 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 96.9 secs Computing kpt #: 254 total cpu time spent up to now is 97.1 secs Computing kpt #: 255 total cpu time spent up to now is 97.3 secs Computing kpt #: 256 total cpu time spent up to now is 97.5 secs Computing kpt #: 257 total cpu time spent up to now is 97.7 secs Computing kpt #: 258 total cpu time spent up to now is 97.9 secs Computing kpt #: 259 total cpu time spent up to now is 98.2 secs Computing kpt #: 260 total cpu time spent up to now is 98.4 secs Computing kpt #: 261 total cpu time spent up to now is 98.6 secs Computing kpt #: 262 total cpu time spent up to now is 98.8 secs Computing kpt #: 263 total cpu time spent up to now is 99.0 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 99.7 secs Computing kpt #: 267 total cpu time spent up to now is 100.0 secs Computing kpt #: 268 total cpu time spent up to now is 100.2 secs Computing kpt #: 269 total cpu time spent up to now is 100.4 secs Computing kpt #: 270 total cpu time spent up to now is 100.7 secs Computing kpt #: 271 total cpu time spent up to now is 100.9 secs Computing kpt #: 272 total cpu time spent up to now is 101.2 secs Computing kpt #: 273 total cpu time spent up to now is 101.5 secs Computing kpt #: 274 total cpu time spent up to now is 102.0 secs Computing kpt #: 275 total cpu time spent up to now is 102.3 secs Computing kpt #: 276 total cpu time spent up to now is 102.5 secs Computing kpt #: 277 total cpu time spent up to now is 102.7 secs Computing kpt #: 278 total cpu time spent up to now is 103.0 secs Computing kpt #: 279 total cpu time spent up to now is 103.2 secs Computing kpt #: 280 total cpu time spent up to now is 103.5 secs Computing kpt #: 281 total cpu time spent up to now is 103.7 secs Computing kpt #: 282 total cpu time spent up to now is 104.0 secs Computing kpt #: 283 total cpu time spent up to now is 104.2 secs Computing kpt #: 284 total cpu time spent up to now is 104.5 secs Computing kpt #: 285 total cpu time spent up to now is 104.7 secs Computing kpt #: 286 total cpu time spent up to now is 105.0 secs Computing kpt #: 287 total cpu time spent up to now is 105.3 secs Computing kpt #: 288 total cpu time spent up to now is 105.7 secs Computing kpt #: 289 total cpu time spent up to now is 106.0 secs Computing kpt #: 290 total cpu time spent up to now is 106.3 secs Computing kpt #: 291 total cpu time spent up to now is 106.7 secs Computing kpt #: 292 total cpu time spent up to now is 107.0 secs Computing kpt #: 293 total cpu time spent up to now is 107.2 secs Computing kpt #: 294 total cpu time spent up to now is 107.4 secs Computing kpt #: 295 total cpu time spent up to now is 107.7 secs Computing kpt #: 296 total cpu time spent up to now is 107.9 secs Computing kpt #: 297 total cpu time spent up to now is 108.1 secs Computing kpt #: 298 total cpu time spent up to now is 108.3 secs Computing kpt #: 299 total cpu time spent up to now is 108.5 secs Computing kpt #: 300 total cpu time spent up to now is 108.7 secs Computing kpt #: 301 total cpu time spent up to now is 108.9 secs Computing kpt #: 302 total cpu time spent up to now is 109.2 secs Computing kpt #: 303 total cpu time spent up to now is 109.4 secs Computing kpt #: 304 total cpu time spent up to now is 110.4 secs Computing kpt #: 305 total cpu time spent up to now is 110.6 secs Computing kpt #: 306 total cpu time spent up to now is 110.8 secs Computing kpt #: 307 total cpu time spent up to now is 111.0 secs Computing kpt #: 308 total cpu time spent up to now is 111.4 secs Computing kpt #: 309 total cpu time spent up to now is 111.6 secs Computing kpt #: 310 total cpu time spent up to now is 112.1 secs Computing kpt #: 311 total cpu time spent up to now is 112.3 secs Computing kpt #: 312 total cpu time spent up to now is 112.6 secs Computing kpt #: 313 total cpu time spent up to now is 112.8 secs Computing kpt #: 314 total cpu time spent up to now is 113.1 secs Computing kpt #: 315 total cpu time spent up to now is 113.4 secs Computing kpt #: 316 total cpu time spent up to now is 113.6 secs Computing kpt #: 317 total cpu time spent up to now is 114.0 secs Computing kpt #: 318 total cpu time spent up to now is 114.3 secs Computing kpt #: 319 total cpu time spent up to now is 114.6 secs Computing kpt #: 320 total cpu time spent up to now is 115.2 secs Computing kpt #: 321 total cpu time spent up to now is 115.7 secs Computing kpt #: 322 total cpu time spent up to now is 116.3 secs Computing kpt #: 323 total cpu time spent up to now is 116.6 secs Computing kpt #: 324 total cpu time spent up to now is 116.9 secs Computing kpt #: 325 total cpu time spent up to now is 117.1 secs Computing kpt #: 326 total cpu time spent up to now is 117.4 secs Computing kpt #: 327 total cpu time spent up to now is 117.6 secs Computing kpt #: 328 total cpu time spent up to now is 117.8 secs Computing kpt #: 329 total cpu time spent up to now is 118.0 secs Computing kpt #: 330 total cpu time spent up to now is 118.2 secs Computing kpt #: 331 total cpu time spent up to now is 118.4 secs Computing kpt #: 332 total cpu time spent up to now is 118.5 secs Computing kpt #: 333 total cpu time spent up to now is 118.7 secs Computing kpt #: 334 total cpu time spent up to now is 119.0 secs Computing kpt #: 335 total cpu time spent up to now is 119.3 secs Computing kpt #: 336 total cpu time spent up to now is 119.5 secs Computing kpt #: 337 total cpu time spent up to now is 119.7 secs Computing kpt #: 338 total cpu time spent up to now is 120.0 secs Computing kpt #: 339 total cpu time spent up to now is 120.3 secs Computing kpt #: 340 total cpu time spent up to now is 120.5 secs Computing kpt #: 341 total cpu time spent up to now is 120.7 secs Computing kpt #: 342 total cpu time spent up to now is 121.0 secs Computing kpt #: 343 total cpu time spent up to now is 121.3 secs Computing kpt #: 344 total cpu time spent up to now is 121.6 secs Computing kpt #: 345 total cpu time spent up to now is 121.9 secs Computing kpt #: 346 total cpu time spent up to now is 122.2 secs Computing kpt #: 347 total cpu time spent up to now is 122.4 secs Computing kpt #: 348 total cpu time spent up to now is 122.6 secs Computing kpt #: 349 total cpu time spent up to now is 122.8 secs Computing kpt #: 350 total cpu time spent up to now is 123.0 secs Computing kpt #: 351 total cpu time spent up to now is 123.1 secs Computing kpt #: 352 total cpu time spent up to now is 123.3 secs Computing kpt #: 353 total cpu time spent up to now is 123.5 secs Computing kpt #: 354 total cpu time spent up to now is 123.6 secs Computing kpt #: 355 total cpu time spent up to now is 123.8 secs Computing kpt #: 356 total cpu time spent up to now is 124.0 secs Computing kpt #: 357 total cpu time spent up to now is 124.2 secs Computing kpt #: 358 total cpu time spent up to now is 124.3 secs Computing kpt #: 359 total cpu time spent up to now is 124.6 secs Computing kpt #: 360 total cpu time spent up to now is 124.8 secs Computing kpt #: 361 total cpu time spent up to now is 125.0 secs Computing kpt #: 362 total cpu time spent up to now is 125.3 secs Computing kpt #: 363 total cpu time spent up to now is 126.1 secs Computing kpt #: 364 total cpu time spent up to now is 126.3 secs Computing kpt #: 365 total cpu time spent up to now is 126.7 secs Computing kpt #: 366 total cpu time spent up to now is 126.9 secs Computing kpt #: 367 total cpu time spent up to now is 127.1 secs Computing kpt #: 368 total cpu time spent up to now is 127.3 secs Computing kpt #: 369 total cpu time spent up to now is 127.4 secs Computing kpt #: 370 total cpu time spent up to now is 127.6 secs Computing kpt #: 371 total cpu time spent up to now is 127.8 secs Computing kpt #: 372 total cpu time spent up to now is 128.0 secs Computing kpt #: 373 total cpu time spent up to now is 128.1 secs Computing kpt #: 374 total cpu time spent up to now is 128.3 secs Computing kpt #: 375 total cpu time spent up to now is 128.5 secs Computing kpt #: 376 total cpu time spent up to now is 128.7 secs Computing kpt #: 377 total cpu time spent up to now is 128.9 secs Computing kpt #: 378 total cpu time spent up to now is 129.2 secs Computing kpt #: 379 total cpu time spent up to now is 129.4 secs Computing kpt #: 380 total cpu time spent up to now is 129.7 secs Computing kpt #: 381 total cpu time spent up to now is 129.9 secs Computing kpt #: 382 total cpu time spent up to now is 130.1 secs Computing kpt #: 383 total cpu time spent up to now is 130.4 secs Computing kpt #: 384 total cpu time spent up to now is 130.7 secs Computing kpt #: 385 total cpu time spent up to now is 131.0 secs Computing kpt #: 386 total cpu time spent up to now is 131.5 secs Computing kpt #: 387 total cpu time spent up to now is 131.9 secs Computing kpt #: 388 total cpu time spent up to now is 132.3 secs Computing kpt #: 389 total cpu time spent up to now is 132.7 secs Computing kpt #: 390 total cpu time spent up to now is 132.9 secs Computing kpt #: 391 total cpu time spent up to now is 133.5 secs Computing kpt #: 392 total cpu time spent up to now is 134.0 secs Computing kpt #: 393 total cpu time spent up to now is 134.3 secs Computing kpt #: 394 total cpu time spent up to now is 134.8 secs Computing kpt #: 395 total cpu time spent up to now is 135.2 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 136.4 secs Computing kpt #: 398 total cpu time spent up to now is 136.6 secs Computing kpt #: 399 total cpu time spent up to now is 136.8 secs Computing kpt #: 400 total cpu time spent up to now is 137.0 secs Computing kpt #: 401 total cpu time spent up to now is 137.2 secs Computing kpt #: 402 total cpu time spent up to now is 137.4 secs Computing kpt #: 403 total cpu time spent up to now is 137.7 secs Computing kpt #: 404 total cpu time spent up to now is 137.9 secs Computing kpt #: 405 total cpu time spent up to now is 138.1 secs Computing kpt #: 406 total cpu time spent up to now is 138.3 secs Computing kpt #: 407 total cpu time spent up to now is 138.6 secs Computing kpt #: 408 total cpu time spent up to now is 138.8 secs Computing kpt #: 409 total cpu time spent up to now is 139.0 secs Computing kpt #: 410 total cpu time spent up to now is 139.3 secs Computing kpt #: 411 total cpu time spent up to now is 139.5 secs Computing kpt #: 412 total cpu time spent up to now is 139.7 secs Computing kpt #: 413 total cpu time spent up to now is 140.0 secs Computing kpt #: 414 total cpu time spent up to now is 140.2 secs Computing kpt #: 415 total cpu time spent up to now is 140.5 secs Computing kpt #: 416 total cpu time spent up to now is 140.7 secs Computing kpt #: 417 total cpu time spent up to now is 141.1 secs Computing kpt #: 418 total cpu time spent up to now is 141.5 secs Computing kpt #: 419 total cpu time spent up to now is 141.9 secs Computing kpt #: 420 total cpu time spent up to now is 142.2 secs Computing kpt #: 421 total cpu time spent up to now is 142.5 secs Computing kpt #: 422 total cpu time spent up to now is 143.0 secs Computing kpt #: 423 total cpu time spent up to now is 143.3 secs Computing kpt #: 424 total cpu time spent up to now is 143.7 secs Computing kpt #: 425 total cpu time spent up to now is 144.0 secs Computing kpt #: 426 total cpu time spent up to now is 144.4 secs Computing kpt #: 427 total cpu time spent up to now is 144.7 secs Computing kpt #: 428 total cpu time spent up to now is 145.0 secs Computing kpt #: 429 total cpu time spent up to now is 145.4 secs Computing kpt #: 430 total cpu time spent up to now is 145.8 secs Computing kpt #: 431 total cpu time spent up to now is 146.1 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 146.6 secs Computing kpt #: 434 total cpu time spent up to now is 146.8 secs Computing kpt #: 435 total cpu time spent up to now is 147.0 secs Computing kpt #: 436 total cpu time spent up to now is 147.2 secs Computing kpt #: 437 total cpu time spent up to now is 147.4 secs Computing kpt #: 438 total cpu time spent up to now is 147.6 secs Computing kpt #: 439 total cpu time spent up to now is 147.8 secs Computing kpt #: 440 total cpu time spent up to now is 148.0 secs Computing kpt #: 441 total cpu time spent up to now is 148.2 secs Computing kpt #: 442 total cpu time spent up to now is 148.5 secs Computing kpt #: 443 total cpu time spent up to now is 148.7 secs Computing kpt #: 444 total cpu time spent up to now is 149.1 secs Computing kpt #: 445 total cpu time spent up to now is 149.3 secs Computing kpt #: 446 total cpu time spent up to now is 149.5 secs Computing kpt #: 447 total cpu time spent up to now is 149.7 secs Computing kpt #: 448 total cpu time spent up to now is 150.0 secs Computing kpt #: 449 total cpu time spent up to now is 150.2 secs Computing kpt #: 450 total cpu time spent up to now is 150.4 secs Computing kpt #: 451 total cpu time spent up to now is 150.6 secs Computing kpt #: 452 total cpu time spent up to now is 150.7 secs Computing kpt #: 453 total cpu time spent up to now is 150.9 secs Computing kpt #: 454 total cpu time spent up to now is 151.1 secs Computing kpt #: 455 total cpu time spent up to now is 151.3 secs Computing kpt #: 456 total cpu time spent up to now is 151.6 secs Computing kpt #: 457 total cpu time spent up to now is 151.8 secs Computing kpt #: 458 total cpu time spent up to now is 151.9 secs Computing kpt #: 459 total cpu time spent up to now is 152.1 secs Computing kpt #: 460 total cpu time spent up to now is 152.3 secs Computing kpt #: 461 total cpu time spent up to now is 152.5 secs Computing kpt #: 462 total cpu time spent up to now is 152.6 secs Computing kpt #: 463 total cpu time spent up to now is 152.8 secs Computing kpt #: 464 total cpu time spent up to now is 153.0 secs Computing kpt #: 465 total cpu time spent up to now is 153.2 secs Computing kpt #: 466 total cpu time spent up to now is 153.5 secs Computing kpt #: 467 total cpu time spent up to now is 153.7 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 154.6 secs Computing kpt #: 471 total cpu time spent up to now is 154.8 secs Computing kpt #: 472 total cpu time spent up to now is 155.2 secs Computing kpt #: 473 total cpu time spent up to now is 155.4 secs Computing kpt #: 474 total cpu time spent up to now is 155.6 secs Computing kpt #: 475 total cpu time spent up to now is 155.9 secs Computing kpt #: 476 total cpu time spent up to now is 156.1 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 156.7 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 157.2 secs Computing kpt #: 481 total cpu time spent up to now is 157.5 secs Computing kpt #: 482 total cpu time spent up to now is 157.7 secs Computing kpt #: 483 total cpu time spent up to now is 157.9 secs Computing kpt #: 484 total cpu time spent up to now is 158.1 secs Computing kpt #: 485 total cpu time spent up to now is 158.3 secs Computing kpt #: 486 total cpu time spent up to now is 158.5 secs Computing kpt #: 487 total cpu time spent up to now is 158.7 secs Computing kpt #: 488 total cpu time spent up to now is 158.8 secs Computing kpt #: 489 total cpu time spent up to now is 159.0 secs Computing kpt #: 490 total cpu time spent up to now is 159.2 secs Computing kpt #: 491 total cpu time spent up to now is 159.4 secs Computing kpt #: 492 total cpu time spent up to now is 159.6 secs Computing kpt #: 493 total cpu time spent up to now is 159.9 secs Computing kpt #: 494 total cpu time spent up to now is 160.0 secs Computing kpt #: 495 total cpu time spent up to now is 160.2 secs Computing kpt #: 496 total cpu time spent up to now is 160.4 secs Computing kpt #: 497 total cpu time spent up to now is 160.7 secs Computing kpt #: 498 total cpu time spent up to now is 160.9 secs Computing kpt #: 499 total cpu time spent up to now is 161.2 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 162.0 secs Computing kpt #: 504 total cpu time spent up to now is 162.2 secs Computing kpt #: 505 total cpu time spent up to now is 162.4 secs Computing kpt #: 506 total cpu time spent up to now is 162.6 secs Computing kpt #: 507 total cpu time spent up to now is 162.8 secs Computing kpt #: 508 total cpu time spent up to now is 163.1 secs Computing kpt #: 509 total cpu time spent up to now is 163.3 secs Computing kpt #: 510 total cpu time spent up to now is 163.5 secs Computing kpt #: 511 total cpu time spent up to now is 163.7 secs Computing kpt #: 512 total cpu time spent up to now is 163.9 secs Computing kpt #: 513 total cpu time spent up to now is 164.1 secs Computing kpt #: 514 total cpu time spent up to now is 164.2 secs Computing kpt #: 515 total cpu time spent up to now is 164.4 secs Computing kpt #: 516 total cpu time spent up to now is 164.6 secs Computing kpt #: 517 total cpu time spent up to now is 164.8 secs Computing kpt #: 518 total cpu time spent up to now is 165.0 secs Computing kpt #: 519 total cpu time spent up to now is 165.2 secs Computing kpt #: 520 total cpu time spent up to now is 165.5 secs Computing kpt #: 521 total cpu time spent up to now is 165.9 secs Computing kpt #: 522 total cpu time spent up to now is 166.1 secs Computing kpt #: 523 total cpu time spent up to now is 166.3 secs Computing kpt #: 524 total cpu time spent up to now is 166.5 secs Computing kpt #: 525 total cpu time spent up to now is 166.7 secs Computing kpt #: 526 total cpu time spent up to now is 167.0 secs Computing kpt #: 527 total cpu time spent up to now is 167.2 secs Computing kpt #: 528 total cpu time spent up to now is 167.4 secs Computing kpt #: 529 total cpu time spent up to now is 167.6 secs Computing kpt #: 530 total cpu time spent up to now is 167.8 secs Computing kpt #: 531 total cpu time spent up to now is 168.0 secs Computing kpt #: 532 total cpu time spent up to now is 168.2 secs Computing kpt #: 533 total cpu time spent up to now is 168.4 secs Computing kpt #: 534 total cpu time spent up to now is 168.6 secs Computing kpt #: 535 total cpu time spent up to now is 168.8 secs Computing kpt #: 536 total cpu time spent up to now is 169.0 secs Computing kpt #: 537 total cpu time spent up to now is 169.2 secs Computing kpt #: 538 total cpu time spent up to now is 169.4 secs Computing kpt #: 539 total cpu time spent up to now is 169.6 secs Computing kpt #: 540 total cpu time spent up to now is 169.8 secs Computing kpt #: 541 total cpu time spent up to now is 170.1 secs Computing kpt #: 542 total cpu time spent up to now is 170.3 secs Computing kpt #: 543 total cpu time spent up to now is 170.4 secs Computing kpt #: 544 total cpu time spent up to now is 170.6 secs Computing kpt #: 545 total cpu time spent up to now is 170.8 secs Computing kpt #: 546 total cpu time spent up to now is 171.1 secs Computing kpt #: 547 total cpu time spent up to now is 171.6 secs Computing kpt #: 548 total cpu time spent up to now is 171.8 secs Computing kpt #: 549 total cpu time spent up to now is 172.1 secs Computing kpt #: 550 total cpu time spent up to now is 172.3 secs Computing kpt #: 551 total cpu time spent up to now is 172.6 secs Computing kpt #: 552 total cpu time spent up to now is 172.8 secs Computing kpt #: 553 total cpu time spent up to now is 173.1 secs Computing kpt #: 554 total cpu time spent up to now is 173.3 secs Computing kpt #: 555 total cpu time spent up to now is 173.5 secs Computing kpt #: 556 total cpu time spent up to now is 173.7 secs Computing kpt #: 557 total cpu time spent up to now is 173.9 secs Computing kpt #: 558 total cpu time spent up to now is 174.2 secs Computing kpt #: 559 total cpu time spent up to now is 174.5 secs Computing kpt #: 560 total cpu time spent up to now is 174.7 secs Computing kpt #: 561 total cpu time spent up to now is 175.0 secs Computing kpt #: 562 total cpu time spent up to now is 175.3 secs Computing kpt #: 563 total cpu time spent up to now is 175.6 secs Computing kpt #: 564 total cpu time spent up to now is 175.8 secs Computing kpt #: 565 total cpu time spent up to now is 176.1 secs Computing kpt #: 566 total cpu time spent up to now is 176.4 secs Computing kpt #: 567 total cpu time spent up to now is 176.7 secs Computing kpt #: 568 total cpu time spent up to now is 177.0 secs Computing kpt #: 569 total cpu time spent up to now is 177.3 secs Computing kpt #: 570 total cpu time spent up to now is 177.8 secs Computing kpt #: 571 total cpu time spent up to now is 178.1 secs Computing kpt #: 572 total cpu time spent up to now is 178.4 secs Computing kpt #: 573 total cpu time spent up to now is 178.8 secs Computing kpt #: 574 total cpu time spent up to now is 179.2 secs Computing kpt #: 575 total cpu time spent up to now is 179.5 secs Computing kpt #: 576 total cpu time spent up to now is 179.9 secs Computing kpt #: 577 total cpu time spent up to now is 180.2 secs Computing kpt #: 578 total cpu time spent up to now is 180.5 secs Computing kpt #: 579 total cpu time spent up to now is 180.8 secs Computing kpt #: 580 total cpu time spent up to now is 181.0 secs Computing kpt #: 581 total cpu time spent up to now is 181.3 secs Computing kpt #: 582 total cpu time spent up to now is 181.5 secs Computing kpt #: 583 total cpu time spent up to now is 181.7 secs Computing kpt #: 584 total cpu time spent up to now is 182.0 secs Computing kpt #: 585 total cpu time spent up to now is 182.2 secs Computing kpt #: 586 total cpu time spent up to now is 182.4 secs Computing kpt #: 587 total cpu time spent up to now is 182.7 secs Computing kpt #: 588 total cpu time spent up to now is 182.8 secs Computing kpt #: 589 total cpu time spent up to now is 183.0 secs Computing kpt #: 590 total cpu time spent up to now is 183.3 secs Computing kpt #: 591 total cpu time spent up to now is 183.5 secs Computing kpt #: 592 total cpu time spent up to now is 183.8 secs Computing kpt #: 593 total cpu time spent up to now is 184.0 secs Computing kpt #: 594 total cpu time spent up to now is 184.2 secs Computing kpt #: 595 total cpu time spent up to now is 184.5 secs Computing kpt #: 596 total cpu time spent up to now is 184.7 secs Computing kpt #: 597 total cpu time spent up to now is 184.9 secs Computing kpt #: 598 total cpu time spent up to now is 185.1 secs Computing kpt #: 599 total cpu time spent up to now is 185.4 secs Computing kpt #: 600 total cpu time spent up to now is 185.6 secs Computing kpt #: 601 total cpu time spent up to now is 185.9 secs Computing kpt #: 602 total cpu time spent up to now is 186.1 secs Computing kpt #: 603 total cpu time spent up to now is 186.3 secs Computing kpt #: 604 total cpu time spent up to now is 186.4 secs Computing kpt #: 605 total cpu time spent up to now is 186.6 secs Computing kpt #: 606 total cpu time spent up to now is 186.8 secs Computing kpt #: 607 total cpu time spent up to now is 186.9 secs Computing kpt #: 608 total cpu time spent up to now is 187.1 secs Computing kpt #: 609 total cpu time spent up to now is 187.3 secs Computing kpt #: 610 total cpu time spent up to now is 187.5 secs Computing kpt #: 611 total cpu time spent up to now is 187.6 secs Computing kpt #: 612 total cpu time spent up to now is 187.8 secs Computing kpt #: 613 total cpu time spent up to now is 188.0 secs Computing kpt #: 614 total cpu time spent up to now is 188.2 secs Computing kpt #: 615 total cpu time spent up to now is 188.3 secs Computing kpt #: 616 total cpu time spent up to now is 188.5 secs Computing kpt #: 617 total cpu time spent up to now is 188.7 secs Computing kpt #: 618 total cpu time spent up to now is 188.9 secs Computing kpt #: 619 total cpu time spent up to now is 189.1 secs Computing kpt #: 620 total cpu time spent up to now is 189.3 secs Computing kpt #: 621 total cpu time spent up to now is 189.5 secs Computing kpt #: 622 total cpu time spent up to now is 189.7 secs Computing kpt #: 623 total cpu time spent up to now is 189.9 secs Computing kpt #: 624 total cpu time spent up to now is 190.1 secs Computing kpt #: 625 total cpu time spent up to now is 190.3 secs Computing kpt #: 626 total cpu time spent up to now is 190.5 secs Computing kpt #: 627 total cpu time spent up to now is 190.7 secs Computing kpt #: 628 total cpu time spent up to now is 191.0 secs Computing kpt #: 629 total cpu time spent up to now is 191.2 secs Computing kpt #: 630 total cpu time spent up to now is 191.4 secs Computing kpt #: 631 total cpu time spent up to now is 191.7 secs Computing kpt #: 632 total cpu time spent up to now is 191.9 secs Computing kpt #: 633 total cpu time spent up to now is 192.2 secs Computing kpt #: 634 total cpu time spent up to now is 192.4 secs Computing kpt #: 635 total cpu time spent up to now is 192.5 secs Computing kpt #: 636 total cpu time spent up to now is 192.7 secs Computing kpt #: 637 total cpu time spent up to now is 192.9 secs Computing kpt #: 638 total cpu time spent up to now is 193.1 secs Computing kpt #: 639 total cpu time spent up to now is 193.3 secs Computing kpt #: 640 total cpu time spent up to now is 193.4 secs Computing kpt #: 641 total cpu time spent up to now is 193.6 secs Computing kpt #: 642 total cpu time spent up to now is 193.8 secs Computing kpt #: 643 total cpu time spent up to now is 194.0 secs Computing kpt #: 644 total cpu time spent up to now is 194.1 secs Computing kpt #: 645 total cpu time spent up to now is 194.3 secs Computing kpt #: 646 total cpu time spent up to now is 194.5 secs Computing kpt #: 647 total cpu time spent up to now is 194.7 secs Computing kpt #: 648 total cpu time spent up to now is 194.8 secs Computing kpt #: 649 total cpu time spent up to now is 195.0 secs Computing kpt #: 650 total cpu time spent up to now is 195.2 secs Computing kpt #: 651 total cpu time spent up to now is 195.4 secs Computing kpt #: 652 total cpu time spent up to now is 195.6 secs Computing kpt #: 653 total cpu time spent up to now is 195.8 secs Computing kpt #: 654 total cpu time spent up to now is 196.0 secs Computing kpt #: 655 total cpu time spent up to now is 196.2 secs Computing kpt #: 656 total cpu time spent up to now is 196.4 secs Computing kpt #: 657 total cpu time spent up to now is 196.6 secs Computing kpt #: 658 total cpu time spent up to now is 196.8 secs Computing kpt #: 659 total cpu time spent up to now is 197.0 secs Computing kpt #: 660 total cpu time spent up to now is 197.2 secs Computing kpt #: 661 total cpu time spent up to now is 197.4 secs Computing kpt #: 662 total cpu time spent up to now is 197.6 secs Computing kpt #: 663 total cpu time spent up to now is 197.8 secs Computing kpt #: 664 total cpu time spent up to now is 198.0 secs Computing kpt #: 665 total cpu time spent up to now is 198.2 secs Computing kpt #: 666 total cpu time spent up to now is 198.4 secs Computing kpt #: 667 total cpu time spent up to now is 198.6 secs Computing kpt #: 668 total cpu time spent up to now is 198.8 secs Computing kpt #: 669 total cpu time spent up to now is 198.9 secs Computing kpt #: 670 total cpu time spent up to now is 199.1 secs Computing kpt #: 671 total cpu time spent up to now is 199.3 secs Computing kpt #: 672 total cpu time spent up to now is 199.5 secs Computing kpt #: 673 total cpu time spent up to now is 199.7 secs Computing kpt #: 674 total cpu time spent up to now is 199.9 secs Computing kpt #: 675 total cpu time spent up to now is 200.1 secs Computing kpt #: 676 total cpu time spent up to now is 200.3 secs Computing kpt #: 677 total cpu time spent up to now is 200.5 secs Computing kpt #: 678 total cpu time spent up to now is 200.8 secs Computing kpt #: 679 total cpu time spent up to now is 201.1 secs Computing kpt #: 680 total cpu time spent up to now is 201.4 secs Computing kpt #: 681 total cpu time spent up to now is 201.7 secs Computing kpt #: 682 total cpu time spent up to now is 202.0 secs Computing kpt #: 683 total cpu time spent up to now is 202.2 secs Computing kpt #: 684 total cpu time spent up to now is 202.5 secs Computing kpt #: 685 total cpu time spent up to now is 202.7 secs Computing kpt #: 686 total cpu time spent up to now is 203.0 secs Computing kpt #: 687 total cpu time spent up to now is 203.4 secs Computing kpt #: 688 total cpu time spent up to now is 203.7 secs Computing kpt #: 689 total cpu time spent up to now is 203.9 secs Computing kpt #: 690 total cpu time spent up to now is 204.2 secs Computing kpt #: 691 total cpu time spent up to now is 204.4 secs Computing kpt #: 692 total cpu time spent up to now is 204.7 secs ethr = 6.25E-11, avg # of iterations = 19.7 total cpu time spent up to now is 204.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 751 PWs) bands (ev): -9.3225 -9.3225 -1.2031 -1.2031 1.4762 1.4762 5.9879 5.9879 6.4689 6.4689 12.3134 12.3134 12.4054 12.4054 13.4872 13.4872 15.7089 15.7089 18.4508 18.4508 18.6817 18.6817 19.3864 19.3864 k = 0.0079-0.0000-0.0000 ( 751 PWs) bands (ev): -9.3215 -9.3215 -1.2024 -1.2024 1.4769 1.4770 5.9886 5.9886 6.4633 6.4633 12.3071 12.3076 12.4018 12.4023 13.4869 13.4869 15.7116 15.7117 18.4516 18.4516 18.6880 18.6882 19.3878 19.3883 k = 0.0159-0.0000-0.0000 ( 757 PWs) bands (ev): -9.3186 -9.3186 -1.2003 -1.2002 1.4792 1.4793 5.9908 5.9908 6.4464 6.4465 12.2887 12.2896 12.3914 12.3923 13.4860 13.4860 15.7195 15.7198 18.4540 18.4540 18.7070 18.7074 19.3922 19.3932 k = 0.0238-0.0000-0.0000 ( 757 PWs) bands (ev): -9.3136 -9.3136 -1.1968 -1.1967 1.4829 1.4831 5.9944 5.9944 6.4187 6.4187 12.2588 12.2600 12.3744 12.3756 13.4845 13.4845 15.7327 15.7331 18.4580 18.4580 18.7387 18.7392 19.4003 19.4017 k = 0.0317-0.0000-0.0000 ( 757 PWs) bands (ev): -9.3067 -9.3067 -1.1918 -1.1917 1.4881 1.4883 5.9996 5.9996 6.3802 6.3802 12.2176 12.2189 12.3507 12.3521 13.4825 13.4825 15.7507 15.7512 18.4635 18.4635 18.7830 18.7837 19.4118 19.4135 k = 0.0397-0.0000-0.0000 ( 752 PWs) bands (ev): -9.2978 -9.2978 -1.1855 -1.1853 1.4949 1.4951 6.0063 6.0063 6.3314 6.3315 12.1655 12.1668 12.3206 12.3220 13.4801 13.4801 15.7731 15.7737 18.4708 18.4708 18.8400 18.8409 19.4270 19.4289 k = 0.0476-0.0000-0.0000 ( 750 PWs) bands (ev): -9.2869 -9.2869 -1.1778 -1.1776 1.5030 1.5033 6.0144 6.0144 6.2727 6.2728 12.1030 12.1044 12.2839 12.2854 13.4770 13.4770 15.7995 15.8002 18.4796 18.4796 18.9092 18.9102 19.4460 19.4480 k = 0.0556-0.0000-0.0000 ( 750 PWs) bands (ev): -9.2741 -9.2741 -1.1687 -1.1685 1.5126 1.5130 6.0239 6.0239 6.2046 6.2048 12.0307 12.0320 12.2409 12.2424 13.4733 13.4733 15.8294 15.8302 18.4899 18.4899 18.9905 18.9917 19.4686 19.4707 k = 0.0635-0.0000-0.0000 ( 748 PWs) bands (ev): -9.2594 -9.2594 -1.1584 -1.1582 1.5236 1.5240 6.0349 6.0349 6.1279 6.1280 11.9493 11.9505 12.1919 12.1933 13.4690 13.4690 15.8623 15.8631 18.5019 18.5019 19.0837 19.0850 19.4950 19.4971 k = 0.0714-0.0000-0.0000 ( 750 PWs) bands (ev): -9.2426 -9.2426 -1.1467 -1.1465 1.5360 1.5365 6.0418 6.0426 6.0479 6.0485 11.8592 11.8603 12.1368 12.1381 13.4640 13.4640 15.8976 15.8986 18.5154 18.5154 19.1882 19.1897 19.5250 19.5270 k = 0.0794-0.0000-0.0000 ( 754 PWs) bands (ev): -9.2240 -9.2240 -1.1339 -1.1336 1.5498 1.5503 5.9507 5.9510 6.0611 6.0611 11.7612 11.7622 12.0761 12.0774 13.4584 13.4584 15.9350 15.9360 18.5304 18.5304 19.3034 19.3051 19.5585 19.5604 k = 0.0873-0.0000-0.0000 ( 754 PWs) bands (ev): -9.2034 -9.2034 -1.1199 -1.1196 1.5648 1.5654 5.8518 5.8521 6.0763 6.0763 11.6560 11.6570 12.0100 12.0113 13.4523 13.4523 15.9741 15.9752 18.5470 18.5470 19.4286 19.4304 19.5956 19.5974 k = 0.0952-0.0000-0.0000 ( 754 PWs) bands (ev): -9.1809 -9.1809 -1.1047 -1.1044 1.5810 1.5817 5.7469 5.7473 6.0929 6.0929 11.5443 11.5452 11.9388 11.9399 13.4454 13.4454 16.0145 16.0156 18.5652 18.5652 19.5618 19.5635 19.6372 19.6385 k = 0.1032-0.0000-0.0000 ( 754 PWs) bands (ev): -9.1565 -9.1565 -1.0885 -1.0882 1.5985 1.5992 5.6369 5.6372 6.1108 6.1108 11.4265 11.4274 11.8626 11.8637 13.4379 13.4379 16.0560 16.0571 18.5850 18.5850 19.6710 19.6728 19.7124 19.7150 k = 0.1111-0.0000-0.0000 ( 754 PWs) bands (ev): -9.1302 -9.1302 -1.0714 -1.0710 1.6170 1.6178 5.5224 5.5228 6.1300 6.1301 11.3034 11.3042 11.7818 11.7828 13.4297 13.4297 16.0983 16.0995 18.6062 18.6062 19.7207 19.7225 19.8563 19.8592 k = 0.1190-0.0000-0.0000 ( 754 PWs) bands (ev): -9.1020 -9.1020 -1.0533 -1.0529 1.6365 1.6374 5.4041 5.4046 6.1506 6.1506 11.1753 11.1760 11.6965 11.6975 13.4208 13.4208 16.1413 16.1425 18.6290 18.6290 19.7696 19.7712 20.0070 20.0101 k = 0.1270-0.0000-0.0000 ( 754 PWs) bands (ev): -9.0720 -9.0720 -1.0345 -1.0340 1.6570 1.6580 5.2829 5.2835 6.1725 6.1725 11.0428 11.0435 11.6072 11.6081 13.4112 13.4112 16.1848 16.1860 18.6533 18.6533 19.8206 19.8220 20.1569 20.1603 k = 0.1349-0.0000-0.0000 ( 754 PWs) bands (ev): -9.0401 -9.0401 -1.0149 -1.0145 1.6783 1.6793 5.1596 5.1602 6.1956 6.1956 10.9065 10.9071 11.5139 11.5148 13.4008 13.4008 16.2288 16.2300 18.6791 18.6791 19.8738 19.8750 20.3012 20.3047 k = 0.1429-0.0000-0.0000 ( 754 PWs) bands (ev): -9.0065 -9.0065 -0.9949 -0.9944 1.7002 1.7014 5.0348 5.0355 6.2199 6.2199 10.7667 10.7673 11.4170 11.4179 13.3897 13.3897 16.2732 16.2745 18.7064 18.7064 19.9291 19.9302 20.4352 20.4387 k = 0.1508-0.0000-0.0000 ( 754 PWs) bands (ev): -8.9710 -8.9710 -0.9744 -0.9739 1.7227 1.7240 4.9094 4.9101 6.2454 6.2454 10.6238 10.6244 11.3168 11.3176 13.3778 13.3778 16.3180 16.3193 18.7351 18.7351 19.9865 19.9875 20.5568 20.5602 k = 0.1587-0.0000-0.0000 ( 754 PWs) bands (ev): -8.9337 -8.9337 -0.9537 -0.9532 1.7456 1.7469 4.7840 4.7849 6.2721 6.2721 10.4783 10.4788 11.2135 11.2142 13.3651 13.3651 16.3632 16.3645 18.7653 18.7653 20.0457 20.0466 20.6666 20.6698 k = 0.1667-0.0000-0.0000 ( 756 PWs) bands (ev): -8.8947 -8.8947 -0.9330 -0.9324 1.7685 1.7700 4.6596 4.6605 6.2998 6.2998 10.3304 10.3309 11.1072 11.1079 13.3516 13.3516 16.4088 16.4100 18.7969 18.7969 20.1068 20.1075 20.7669 20.7698 k = 0.1746-0.0000-0.0000 ( 756 PWs) bands (ev): -8.8540 -8.8540 -0.9124 -0.9118 1.7914 1.7930 4.5370 4.5380 6.3287 6.3287 10.1806 10.1811 10.9984 10.9990 13.3373 13.3373 16.4547 16.4560 18.8299 18.8299 20.1696 20.1701 20.8597 20.8623 k = 0.1825-0.0000-0.0000 ( 754 PWs) bands (ev): -8.8116 -8.8116 -0.8922 -0.8915 1.8138 1.8156 4.4169 4.4180 6.3586 6.3586 10.0292 10.0296 10.8872 10.8878 13.3222 13.3222 16.5011 16.5023 18.8642 18.8642 20.2339 20.2343 20.9466 20.9490 k = 0.1905-0.0000-0.0000 ( 752 PWs) bands (ev): -8.7675 -8.7675 -0.8727 -0.8719 1.8356 1.8376 4.3004 4.3016 6.3894 6.3894 9.8763 9.8767 10.7737 10.7743 13.3063 13.3063 16.5478 16.5491 18.8999 18.8999 20.2997 20.3000 21.0286 21.0308 k = 0.1984-0.0000-0.0000 ( 752 PWs) bands (ev): -8.7219 -8.7219 -0.8541 -0.8533 1.8564 1.8585 4.1883 4.1897 6.4212 6.4212 9.7224 9.7227 10.6583 10.6589 13.2896 13.2896 16.5950 16.5962 18.9369 18.9369 20.3668 20.3669 21.1063 21.1082 k = 0.2063-0.0000-0.0000 ( 756 PWs) bands (ev): -8.6746 -8.6746 -0.8368 -0.8360 1.8757 1.8779 4.0816 4.0831 6.4539 6.4539 9.5675 9.5678 10.5412 10.5417 13.2721 13.2721 16.6426 16.6438 18.9751 18.9751 20.4350 20.4350 21.1800 21.1817 k = 0.2143-0.0000-0.0000 ( 756 PWs) bands (ev): -8.6259 -8.6258 -0.8212 -0.8203 1.8932 1.8956 3.9814 3.9831 6.4874 6.4874 9.4120 9.4123 10.4224 10.4229 13.2537 13.2537 16.6906 16.6918 19.0146 19.0146 20.5042 20.5043 21.2499 21.2515 k = 0.2222-0.0000-0.0000 ( 758 PWs) bands (ev): -8.5756 -8.5756 -0.8076 -0.8067 1.9085 1.9111 3.8887 3.8906 6.5217 6.5217 9.2561 9.2564 10.3023 10.3028 13.2345 13.2345 16.7390 16.7402 19.0553 19.0553 20.5742 20.5746 21.3163 21.3177 k = 0.2302-0.0000-0.0000 ( 754 PWs) bands (ev): -8.5239 -8.5239 -0.7964 -0.7955 1.9212 1.9240 3.8046 3.8067 6.5567 6.5568 9.1000 9.1002 10.1811 10.1816 13.2146 13.2146 16.7880 16.7892 19.0972 19.0972 20.6451 20.6456 21.3793 21.3805 k = 0.2381-0.0000-0.0000 ( 754 PWs) bands (ev): -8.4709 -8.4709 -0.7883 -0.7873 1.9310 1.9341 3.7300 3.7322 6.5924 6.5924 8.9438 8.9440 10.0589 10.0593 13.1939 13.1939 16.8373 16.8384 19.1401 19.1401 20.7166 20.7173 21.4390 21.4399 k = 0.2460-0.0000-0.0000 ( 750 PWs) bands (ev): -8.4165 -8.4165 -0.7835 -0.7825 1.9378 1.9411 3.6658 3.6681 6.6286 6.6286 8.7878 8.7880 9.9359 9.9363 13.1725 13.1725 16.8870 16.8881 19.1841 19.1841 20.7885 20.7895 21.4955 21.4962 k = 0.2540-0.0000-0.0000 ( 750 PWs) bands (ev): -8.3609 -8.3609 -0.7827 -0.7817 1.9416 1.9450 3.6125 3.6150 6.6653 6.6653 8.6321 8.6322 9.8122 9.8126 13.1504 13.1504 16.9370 16.9381 19.2290 19.2290 20.8607 20.8618 21.5490 21.5495 k = 0.2619-0.0000-0.0000 ( 750 PWs) bands (ev): -8.3041 -8.3041 -0.7863 -0.7852 1.9426 1.9462 3.5706 3.5732 6.7024 6.7024 8.4768 8.4770 9.6881 9.6884 13.1276 13.1276 16.9873 16.9884 19.2747 19.2747 20.9328 20.9342 21.5996 21.5999 k = 0.2698-0.0000-0.0000 ( 754 PWs) bands (ev): -8.2462 -8.2462 -0.7947 -0.7937 1.9414 1.9451 3.5401 3.5428 6.7399 6.7399 8.3222 8.3223 9.5636 9.5639 13.1041 13.1041 17.0378 17.0389 19.3213 19.3213 21.0045 21.0061 21.6477 21.6478 k = 0.2778-0.0000-0.0000 ( 754 PWs) bands (ev): -8.1874 -8.1873 -0.8085 -0.8074 1.9388 1.9426 3.5208 3.5237 6.7776 6.7776 8.1684 8.1685 9.4390 9.4393 13.0801 13.0801 17.0886 17.0897 19.3686 19.3686 21.0756 21.0774 21.6934 21.6937 k = 0.2857-0.0000-0.0000 ( 758 PWs) bands (ev): -8.1276 -8.1275 -0.8279 -0.8268 1.9358 1.9395 3.5123 3.5152 6.8154 6.8154 8.0156 8.0156 9.3145 9.3148 13.0556 13.0556 17.1395 17.1406 19.4166 19.4166 21.1454 21.1476 21.7372 21.7378 k = 0.2937-0.0000-0.0000 ( 758 PWs) bands (ev): -8.0669 -8.0669 -0.8531 -0.8521 1.9333 1.9371 3.5138 3.5167 6.8534 6.8534 7.8639 7.8639 9.1902 9.1905 13.0306 13.0306 17.1905 17.1916 19.4651 19.4651 21.2135 21.2160 21.7798 21.7807 k = 0.3016-0.0000-0.0000 ( 758 PWs) bands (ev): -8.0056 -8.0056 -0.8844 -0.8834 1.9326 1.9363 3.5244 3.5274 6.8914 6.8914 7.7134 7.7134 9.0663 9.0665 13.0053 13.0053 17.2415 17.2425 19.5140 19.5140 21.2792 21.2820 21.8217 21.8229 k = 0.3095-0.0000-0.0000 ( 758 PWs) bands (ev): -7.9438 -7.9437 -0.9217 -0.9207 1.9344 1.9381 3.5432 3.5462 6.9293 6.9293 7.5643 7.5643 8.9428 8.9431 12.9796 12.9796 17.2924 17.2934 19.5633 19.5633 21.3416 21.3447 21.8638 21.8654 k = 0.3175-0.0000-0.0000 ( 758 PWs) bands (ev): -7.8814 -7.8814 -0.9647 -0.9638 1.9398 1.9434 3.5693 3.5723 6.9669 6.9669 7.4167 7.4168 8.8201 8.8204 12.9537 12.9537 17.3431 17.3441 19.6127 19.6127 21.3999 21.4034 21.9069 21.9089 k = 0.3254-0.0000-0.0000 ( 762 PWs) bands (ev): -7.8189 -7.8188 -1.0133 -1.0124 1.9493 1.9528 3.6018 3.6047 7.0042 7.0042 7.2708 7.2710 8.6982 8.6984 12.9277 12.9277 17.3934 17.3944 19.6622 19.6622 21.4532 21.4569 21.9519 21.9542 k = 0.3333-0.0000-0.0000 ( 762 PWs) bands (ev): -7.7561 -7.7561 -1.0668 -1.0660 1.9633 1.9666 3.6399 3.6427 7.0410 7.0411 7.1270 7.1271 8.5774 8.5776 12.9016 12.9016 17.4434 17.4443 19.7117 19.7117 21.5006 21.5046 21.9997 22.0023 k = 0.3413-0.0000-0.0000 ( 762 PWs) bands (ev): -7.6934 -7.6934 -1.1249 -1.1241 1.9820 1.9852 3.6827 3.6856 6.9847 6.9850 7.0776 7.0777 8.4579 8.4581 12.8756 12.8756 17.4928 17.4937 19.7609 19.7609 21.5417 21.5459 22.0508 22.0535 k = 0.3492-0.0000-0.0000 ( 762 PWs) bands (ev): -7.6310 -7.6310 -1.1868 -1.1861 2.0054 2.0085 3.7298 3.7326 6.8451 6.8454 7.1132 7.1133 8.3398 8.3399 12.8497 12.8497 17.5415 17.5424 19.8097 19.8097 21.5763 21.5805 22.1053 22.1081 k = 0.3571-0.0000-0.0000 ( 762 PWs) bands (ev): -7.5689 -7.5689 -1.2519 -1.2512 2.0334 2.0364 3.7804 3.7831 6.7078 6.7081 7.1481 7.1482 8.2233 8.2235 12.8242 12.8242 17.5893 17.5902 19.8580 19.8580 21.6045 21.6087 22.1630 22.1658 k = 0.3651-0.0000-0.0000 ( 762 PWs) bands (ev): -7.5076 -7.5076 -1.3193 -1.3186 2.0658 2.0687 3.8339 3.8367 6.5730 6.5734 7.1821 7.1821 8.1088 8.1089 12.7990 12.7990 17.6362 17.6370 19.9055 19.9055 21.6268 21.6308 22.2234 22.2262 k = 0.3730-0.0000-0.0000 ( 762 PWs) bands (ev): -7.4472 -7.4472 -1.3883 -1.3877 2.1021 2.1048 3.8900 3.8927 6.4412 6.4416 7.2151 7.2151 7.9964 7.9965 12.7743 12.7743 17.6819 17.6827 19.9521 19.9521 21.6438 21.6477 22.2858 22.2884 k = 0.3810-0.0000-0.0000 ( 770 PWs) bands (ev): -7.3879 -7.3879 -1.4582 -1.4576 2.1418 2.1444 3.9480 3.9507 6.3124 6.3129 7.2469 7.2469 7.8864 7.8866 12.7503 12.7503 17.7261 17.7269 19.9974 19.9974 21.6562 21.6599 22.3492 22.3517 k = 0.3889-0.0000-0.0000 ( 770 PWs) bands (ev): -7.3301 -7.3301 -1.5280 -1.5275 2.1847 2.1872 4.0076 4.0103 6.1869 6.1876 7.2774 7.2774 7.7792 7.7794 12.7271 12.7271 17.7689 17.7696 20.0415 20.0415 21.6648 21.6682 22.4130 22.4154 k = 0.3968-0.0000-0.0000 ( 770 PWs) bands (ev): -7.2741 -7.2741 -1.5971 -1.5966 2.2300 2.2323 4.0684 4.0711 6.0652 6.0659 7.3065 7.3065 7.6752 7.6753 12.7047 12.7047 17.8099 17.8106 20.0839 20.0839 21.6701 21.6734 22.4765 22.4786 k = 0.4048-0.0000-0.0000 ( 776 PWs) bands (ev): -7.2202 -7.2202 -1.6646 -1.6642 2.2771 2.2793 4.1297 4.1325 5.9474 5.9482 7.3340 7.3340 7.5745 7.5746 12.6833 12.6833 17.8490 17.8496 20.1245 20.1245 21.6728 21.6757 22.5387 22.5407 k = 0.4127-0.0000-0.0000 ( 772 PWs) bands (ev): -7.1686 -7.1686 -1.7300 -1.7296 2.3254 2.3275 4.1914 4.1941 5.8340 5.8349 7.3599 7.3599 7.4779 7.4780 12.6631 12.6631 17.8860 17.8866 20.1630 20.1630 21.6735 21.6762 22.5993 22.6011 k = 0.4206-0.0000-0.0000 ( 772 PWs) bands (ev): -7.1199 -7.1199 -1.7924 -1.7921 2.3741 2.3760 4.2527 4.2555 5.7254 5.7265 7.3825 7.3836 7.3862 7.3874 12.6442 12.6442 17.9206 17.9212 20.1992 20.1992 21.6724 21.6749 22.6572 22.6589 k = 0.4286-0.0000-0.0000 ( 774 PWs) bands (ev): -7.0743 -7.0743 -1.8513 -1.8510 2.4225 2.4243 4.3133 4.3160 5.6221 5.6233 7.2988 7.2988 7.4063 7.4063 12.6267 12.6267 17.9528 17.9533 20.2329 20.2329 21.6701 21.6724 22.7121 22.7136 k = 0.4365-0.0000-0.0000 ( 778 PWs) bands (ev): -7.0322 -7.0322 -1.9059 -1.9056 2.4697 2.4713 4.3725 4.3753 5.5245 5.5258 7.2175 7.2175 7.4265 7.4265 12.6106 12.6106 17.9822 17.9827 20.2638 20.2638 21.6670 21.6690 22.7632 22.7645 k = 0.4444-0.0000-0.0000 ( 778 PWs) bands (ev): -6.9940 -6.9939 -1.9557 -1.9554 2.5148 2.5163 4.4299 4.4327 5.4333 5.4348 7.1428 7.1428 7.4446 7.4446 12.5962 12.5962 18.0087 18.0091 20.2917 20.2917 21.6634 21.6651 22.8100 22.8111 k = 0.4524-0.0000-0.0000 ( 778 PWs) bands (ev): -6.9599 -6.9599 -2.0000 -1.9999 2.5568 2.5582 4.4847 4.4875 5.3492 5.3508 7.0754 7.0754 7.4604 7.4604 12.5835 12.5835 18.0320 18.0324 20.3164 20.3164 21.6597 21.6612 22.8519 22.8529 k = 0.4603-0.0000-0.0000 ( 774 PWs) bands (ev): -6.9305 -6.9305 -2.0385 -2.0384 2.5948 2.5960 4.5363 4.5390 5.2729 5.2746 7.0162 7.0162 7.4741 7.4741 12.5726 12.5726 18.0521 18.0525 20.3376 20.3376 21.6561 21.6573 22.8884 22.8892 k = 0.4683-0.0000-0.0000 ( 770 PWs) bands (ev): -6.9059 -6.9059 -2.0707 -2.0705 2.6277 2.6287 4.5837 4.5863 5.2053 5.2070 6.9661 6.9662 7.4853 7.4853 12.5635 12.5635 18.0688 18.0691 20.3553 20.3553 21.6529 21.6539 22.9191 22.9198 k = 0.4762-0.0000-0.0000 ( 770 PWs) bands (ev): -6.8865 -6.8865 -2.0961 -2.0960 2.6546 2.6553 4.6255 4.6278 5.1479 5.1495 6.9261 6.9261 7.4941 7.4941 12.5564 12.5564 18.0820 18.0822 20.3692 20.3692 21.6502 21.6509 22.9434 22.9439 k = 0.4841-0.0000-0.0000 ( 766 PWs) bands (ev): -6.8725 -6.8725 -2.1145 -2.1144 2.6745 2.6750 4.6597 4.6614 5.1029 5.1042 6.8968 6.8968 7.5004 7.5004 12.5513 12.5513 18.0914 18.0916 20.3792 20.3792 21.6482 21.6487 22.9611 22.9614 k = 0.4921-0.0000-0.0000 ( 766 PWs) bands (ev): -6.8640 -6.8640 -2.1256 -2.1256 2.6868 2.6871 4.6830 4.6840 5.0735 5.0743 6.8789 6.8789 7.5043 7.5043 12.5482 12.5482 18.0971 18.0972 20.3852 20.3853 21.6469 21.6472 22.9718 22.9720 k = 0.5000-0.0000-0.0000 ( 766 PWs) bands (ev): -6.8611 -6.8611 -2.1293 -2.1293 2.6910 2.6910 4.6917 4.6917 5.0634 5.0634 6.8729 6.8729 7.5055 7.5055 12.5472 12.5472 18.0991 18.0991 20.3873 20.3873 21.6466 21.6466 22.9755 22.9755 k = 0.5000-0.0000-0.0000 ( 766 PWs) bands (ev): -6.8611 -6.8611 -2.1293 -2.1293 2.6910 2.6910 4.6917 4.6917 5.0634 5.0634 6.8729 6.8729 7.5055 7.5055 12.5472 12.5472 18.0991 18.0991 20.3873 20.3873 21.6466 21.6466 22.9755 22.9755 k = 0.5000 0.0079-0.0000 ( 766 PWs) bands (ev): -6.8601 -6.8601 -2.1282 -2.1282 2.6911 2.6912 4.6923 4.6923 5.0637 5.0637 6.8734 6.8734 7.5006 7.5007 12.5414 12.5414 18.1053 18.1054 20.3791 20.3793 21.6504 21.6505 22.9824 22.9827 k = 0.5000 0.0159-0.0000 ( 764 PWs) bands (ev): -6.8571 -6.8571 -2.1250 -2.1250 2.6914 2.6915 4.6943 4.6943 5.0647 5.0647 6.8747 6.8747 7.4860 7.4862 12.5241 12.5242 18.1240 18.1244 20.3552 20.3554 21.6618 21.6621 23.0031 23.0038 k = 0.5000 0.0238-0.0000 ( 764 PWs) bands (ev): -6.8520 -6.8520 -2.1196 -2.1196 2.6918 2.6919 4.6975 4.6976 5.0662 5.0663 6.8769 6.8770 7.4618 7.4620 12.4956 12.4957 18.1551 18.1556 20.3162 20.3165 21.6805 21.6808 23.0370 23.0379 k = 0.5000 0.0317-0.0000 ( 764 PWs) bands (ev): -6.8449 -6.8449 -2.1121 -2.1121 2.6924 2.6925 4.7021 4.7022 5.0684 5.0685 6.8800 6.8801 7.4282 7.4285 12.4560 12.4561 18.1982 18.1989 20.2633 20.2638 21.7057 21.7062 23.0826 23.0839 k = 0.5000 0.0397-0.0000 ( 768 PWs) bands (ev): -6.8357 -6.8357 -2.1024 -2.1024 2.6931 2.6932 4.7079 4.7080 5.0712 5.0712 6.8839 6.8840 7.3854 7.3859 12.4057 12.4059 18.2531 18.2539 20.1979 20.1984 21.7368 21.7374 23.1386 23.1401 k = 0.5000 0.0476-0.0000 ( 768 PWs) bands (ev): -6.8245 -6.8245 -2.0906 -2.0906 2.6938 2.6940 4.7151 4.7152 5.0745 5.0746 6.8887 6.8889 7.3342 7.3348 12.3453 12.3455 18.3192 18.3202 20.1218 20.1224 21.7726 21.7733 23.2033 23.2051 k = 0.5000 0.0556-0.0000 ( 772 PWs) bands (ev): -6.8113 -6.8113 -2.0767 -2.0767 2.6944 2.6946 4.7234 4.7235 5.0783 5.0784 6.8944 6.8946 7.2750 7.2756 12.2753 12.2755 18.3960 18.3973 20.0365 20.0370 21.8118 21.8127 23.2751 23.2771 k = 0.5000 0.0635-0.0000 ( 776 PWs) bands (ev): -6.7961 -6.7961 -2.0606 -2.0606 2.6949 2.6952 4.7330 4.7332 5.0826 5.0827 6.9009 6.9011 7.2082 7.2089 12.1963 12.1965 18.4830 18.4844 19.9432 19.9437 21.8530 21.8540 23.3524 23.3547 k = 0.5000 0.0714-0.0000 ( 772 PWs) bands (ev): -6.7789 -6.7789 -2.0424 -2.0424 2.6952 2.6955 4.7440 4.7441 5.0874 5.0875 6.9083 6.9086 7.1345 7.1353 12.1088 12.1091 18.5794 18.5811 19.8433 19.8438 21.8944 21.8956 23.4339 23.4364 k = 0.5000 0.0794-0.0000 ( 772 PWs) bands (ev): -6.7596 -6.7596 -2.0220 -2.0220 2.6951 2.6954 4.7560 4.7562 5.0925 5.0926 6.9165 6.9168 7.0545 7.0554 12.0137 12.0140 18.6845 18.6864 19.7379 19.7383 21.9342 21.9355 23.5178 23.5205 k = 0.5000 0.0873-0.0000 ( 772 PWs) bands (ev): -6.7384 -6.7384 -1.9995 -1.9995 2.6944 2.6948 4.7693 4.7694 5.0980 5.0981 6.9256 6.9259 6.9689 6.9700 11.9116 11.9119 18.7973 18.7995 19.6281 19.6283 21.9702 21.9716 23.6027 23.6056 k = 0.5000 0.0952-0.0000 ( 776 PWs) bands (ev): -6.7151 -6.7151 -1.9750 -1.9749 2.6930 2.6934 4.7836 4.7838 5.1037 5.1038 6.8785 6.8795 6.9354 6.9358 11.8031 11.8035 18.9168 18.9194 19.5146 19.5147 22.0004 22.0019 23.6868 23.6898 k = 0.5000 0.1032-0.0000 ( 776 PWs) bands (ev): -6.6899 -6.6899 -1.9482 -1.9482 2.6907 2.6912 4.7991 4.7993 5.1096 5.1097 6.7839 6.7850 6.9460 6.9464 11.6890 11.6894 19.0413 19.0448 19.3988 19.3997 22.0224 22.0240 23.7676 23.7708 k = 0.5000 0.1111-0.0000 ( 776 PWs) bands (ev): -6.6627 -6.6627 -1.9194 -1.9194 2.6873 2.6878 4.8157 4.8159 5.1156 5.1157 6.6859 6.6871 6.9575 6.9579 11.5698 11.5703 19.1624 19.1695 19.2864 19.2908 22.0342 22.0359 23.8417 23.8452 k = 0.5000 0.1190-0.0000 ( 776 PWs) bands (ev): -6.6335 -6.6335 -1.8885 -1.8885 2.6825 2.6830 4.8333 4.8335 5.1215 5.1217 6.5853 6.5865 6.9696 6.9701 11.4464 11.4469 19.1434 19.1480 19.3225 19.3243 22.0339 22.0357 23.9037 23.9074 k = 0.5000 0.1270-0.0000 ( 776 PWs) bands (ev): -6.6024 -6.6024 -1.8555 -1.8555 2.6760 2.6766 4.8519 4.8521 5.1273 5.1275 6.4828 6.4841 6.9826 6.9830 11.3193 11.3197 19.0268 19.0291 19.4569 19.4576 22.0200 22.0219 23.9450 23.9487 k = 0.5000 0.1349-0.0000 ( 776 PWs) bands (ev): -6.5693 -6.5693 -1.8204 -1.8204 2.6675 2.6682 4.8715 4.8717 5.1328 5.1330 6.3793 6.3806 6.9962 6.9967 11.1891 11.1896 18.9045 18.9061 19.5958 19.5972 21.9917 21.9937 23.9541 23.9577 k = 0.5000 0.1429-0.0000 ( 772 PWs) bands (ev): -6.5343 -6.5343 -1.7832 -1.7832 2.6567 2.6574 4.8919 4.8921 5.1380 5.1382 6.2755 6.2769 7.0105 7.0111 11.0564 11.0569 18.7807 18.7821 19.7357 19.7375 21.9488 21.9507 23.9225 23.9258 k = 0.5000 0.1508-0.0000 ( 768 PWs) bands (ev): -6.4974 -6.4973 -1.7440 -1.7439 2.6432 2.6440 4.9132 4.9133 5.1427 5.1428 6.1723 6.1736 7.0256 7.0261 10.9218 10.9223 18.6563 18.6575 19.8741 19.8762 21.8915 21.8934 23.8533 23.8562 k = 0.5000 0.1587-0.0000 ( 768 PWs) bands (ev): -6.4585 -6.4585 -1.7027 -1.7027 2.6266 2.6274 4.9352 4.9353 5.1465 5.1467 6.0704 6.0717 7.0413 7.0419 10.7859 10.7864 18.5319 18.5328 20.0088 20.0112 21.8207 21.8226 23.7596 23.7621 k = 0.5000 0.1667-0.0000 ( 772 PWs) bands (ev): -6.4178 -6.4178 -1.6594 -1.6594 2.6064 2.6072 4.9579 4.9579 5.1495 5.1497 5.9705 5.9719 7.0576 7.0582 10.6491 10.6497 18.4075 18.4083 20.1371 20.1397 21.7379 21.7397 23.6552 23.6574 k = 0.5000 0.1746-0.0000 ( 772 PWs) bands (ev): -6.3753 -6.3752 -1.6141 -1.6140 2.5822 2.5831 4.9810 4.9811 5.1514 5.1516 5.8738 5.8751 7.0745 7.0751 10.5121 10.5127 18.2836 18.2843 20.2559 20.2588 21.6445 21.6463 23.5509 23.5529 k = 0.5000 0.1825-0.0000 ( 772 PWs) bands (ev): -6.3309 -6.3308 -1.5667 -1.5666 2.5536 2.5545 5.0045 5.0047 5.1520 5.1522 5.7810 5.7822 7.0919 7.0927 10.3753 10.3759 18.1604 18.1610 20.3618 20.3648 21.5422 21.5439 23.4549 23.4568 k = 0.5000 0.1905-0.0000 ( 776 PWs) bands (ev): -6.2846 -6.2846 -1.5174 -1.5173 2.5200 2.5210 5.0282 5.0286 5.1512 5.1514 5.6929 5.6939 7.1100 7.1107 10.2391 10.2398 18.0381 18.0386 20.4504 20.4536 21.4325 21.4341 23.3738 23.3756 k = 0.5000 0.1984-0.0000 ( 778 PWs) bands (ev): -6.2366 -6.2366 -1.4660 -1.4660 2.4812 2.4822 5.0518 5.0524 5.1486 5.1488 5.6103 5.6112 7.1286 7.1293 10.1042 10.1049 17.9172 17.9176 20.5178 20.5211 21.3168 21.3183 23.3133 23.3150 k = 0.5000 0.2063-0.0000 ( 778 PWs) bands (ev): -6.1868 -6.1868 -1.4127 -1.4127 2.4367 2.4378 5.0749 5.0759 5.1439 5.1442 5.5344 5.5349 7.1476 7.1484 9.9710 9.9718 17.7976 17.7979 20.5599 20.5634 21.1964 21.1978 23.2781 23.2797 k = 0.5000 0.2143-0.0000 ( 778 PWs) bands (ev): -6.1353 -6.1352 -1.3575 -1.3574 2.3862 2.3874 5.0968 5.0983 5.1371 5.1373 5.4661 5.4662 7.1672 7.1680 9.8400 9.8407 17.6796 17.6799 20.5743 20.5777 21.0724 21.0737 23.2715 23.2730 k = 0.5000 0.2222-0.0000 ( 778 PWs) bands (ev): -6.0821 -6.0820 -1.3003 -1.3003 2.3296 2.3307 5.1158 5.1183 5.1280 5.1285 5.4065 5.4071 7.1871 7.1880 9.7115 9.7123 17.5635 17.5636 20.5599 20.5633 20.9458 20.9470 23.2945 23.2958 k = 0.5000 0.2302-0.0000 ( 778 PWs) bands (ev): -6.0272 -6.0271 -1.2413 -1.2412 2.2667 2.2678 5.1145 5.1149 5.1326 5.1354 5.3580 5.3597 7.2075 7.2085 9.5861 9.5869 17.4493 17.4493 20.5180 20.5213 20.8173 20.8185 23.3461 23.3472 k = 0.5000 0.2381-0.0000 ( 778 PWs) bands (ev): -5.9706 -5.9706 -1.1804 -1.1803 2.1975 2.1986 5.0994 5.0995 5.1394 5.1436 5.3246 5.3276 7.2283 7.2293 9.4642 9.4650 17.3372 17.3372 20.4514 20.4546 20.6879 20.6890 23.4230 23.4241 k = 0.5000 0.2460-0.0000 ( 782 PWs) bands (ev): -5.9125 -5.9125 -1.1176 -1.1176 2.1221 2.1232 5.0805 5.0805 5.1352 5.1405 5.3097 5.3137 7.2494 7.2504 9.3461 9.3471 17.2273 17.2274 20.3640 20.3671 20.5581 20.5591 23.3338 23.3344 k = 0.5000 0.2540-0.0000 ( 782 PWs) bands (ev): -5.8529 -5.8528 -1.0531 -1.0530 2.0408 2.0419 5.0578 5.0579 5.1216 5.1271 5.3121 5.3164 7.2708 7.2719 9.2324 9.2334 17.1200 17.1202 20.2599 20.2629 20.4284 20.4293 23.2374 23.2379 k = 0.5000 0.2619-0.0000 ( 784 PWs) bands (ev): -5.7917 -5.7917 -0.9867 -0.9867 1.9539 1.9550 5.0311 5.0312 5.1039 5.1093 5.3256 5.3297 7.2925 7.2936 9.1234 9.1244 17.0153 17.0156 20.1427 20.1456 20.2992 20.3001 23.1393 23.1397 k = 0.5000 0.2698-0.0000 ( 784 PWs) bands (ev): -5.7292 -5.7291 -0.9187 -0.9186 1.8618 1.8629 5.0001 5.0001 5.0870 5.0921 5.3449 5.3487 7.3144 7.3155 9.0194 9.0205 16.9135 16.9138 20.0160 20.0187 20.1712 20.1719 23.0401 23.0405 k = 0.5000 0.2778-0.0000 ( 784 PWs) bands (ev): -5.6653 -5.6652 -0.8489 -0.8488 1.7650 1.7661 4.9646 4.9646 5.0731 5.0779 5.3670 5.3706 7.3365 7.3377 8.9207 8.9218 16.8146 16.8150 19.8822 19.8848 20.0445 20.0452 22.9404 22.9407 k = 0.5000 0.2857-0.0000 ( 784 PWs) bands (ev): -5.6000 -5.6000 -0.7775 -0.7774 1.6641 1.6651 4.9244 4.9244 5.0632 5.0677 5.3904 5.3938 7.3588 7.3601 8.8276 8.8287 16.7189 16.7193 19.7435 19.7460 19.9195 19.9202 22.8406 22.8409 k = 0.5000 0.2937-0.0000 ( 784 PWs) bands (ev): -5.5336 -5.5336 -0.7045 -0.7045 1.5595 1.5605 4.8793 4.8794 5.0574 5.0618 5.4144 5.4177 7.3813 7.3826 8.7402 8.7414 16.6264 16.6269 19.6017 19.6041 19.7967 19.7973 22.7414 22.7416 k = 0.5000 0.3016-0.0000 ( 776 PWs) bands (ev): -5.4661 -5.4660 -0.6300 -0.6299 1.4519 1.4529 4.8294 4.8295 5.0559 5.0602 5.4385 5.4417 7.4039 7.4052 8.6587 8.6599 16.5373 16.5379 19.4582 19.4606 19.6761 19.6767 22.6431 22.6433 k = 0.5000 0.3095-0.0000 ( 776 PWs) bands (ev): -5.3975 -5.3974 -0.5540 -0.5539 1.3418 1.3427 4.7746 4.7746 5.0583 5.0625 5.4623 5.4654 7.4265 7.4279 8.5830 8.5843 16.4518 16.4524 19.3142 19.3164 19.5582 19.5587 22.5462 22.5463 k = 0.5000 0.3175-0.0000 ( 772 PWs) bands (ev): -5.3280 -5.3279 -0.4766 -0.4765 1.2298 1.2306 4.7149 4.7150 5.0644 5.0684 5.4856 5.4887 7.4492 7.4506 8.5133 8.5146 16.3699 16.3706 19.1705 19.1727 19.4431 19.4436 22.4510 22.4511 k = 0.5000 0.3254-0.0000 ( 772 PWs) bands (ev): -5.2578 -5.2577 -0.3979 -0.3978 1.1163 1.1171 4.6505 4.6506 5.0737 5.0776 5.5083 5.5113 7.4719 7.4733 8.4494 8.4507 16.2918 16.2926 19.0279 19.0301 19.3312 19.3316 22.3579 22.3580 k = 0.5000 0.3333-0.0000 ( 768 PWs) bands (ev): -5.1868 -5.1868 -0.3180 -0.3179 1.0020 1.0028 4.5816 4.5817 5.0859 5.0897 5.5301 5.5331 7.4945 7.4959 8.3910 8.3925 16.2176 16.2184 18.8872 18.8893 19.2225 19.2229 22.2671 22.2672 k = 0.5000 0.3413-0.0000 ( 764 PWs) bands (ev): -5.1154 -5.1153 -0.2369 -0.2368 0.8874 0.8881 4.5086 4.5086 5.1007 5.1044 5.5510 5.5539 7.5170 7.5185 8.3381 8.3396 16.1474 16.1483 18.7489 18.7510 19.1173 19.1177 22.1791 22.1791 k = 0.5000 0.3492-0.0000 ( 760 PWs) bands (ev): -5.0436 -5.0436 -0.1548 -0.1548 0.7729 0.7736 4.4316 4.4317 5.1178 5.1214 5.5708 5.5737 7.5394 7.5409 8.2903 8.2919 16.0812 16.0822 18.6135 18.6156 19.0159 19.0162 22.0939 22.0940 k = 0.5000 0.3571-0.0000 ( 760 PWs) bands (ev): -4.9718 -4.9717 -0.0720 -0.0719 0.6590 0.6597 4.3512 4.3512 5.1367 5.1403 5.5893 5.5923 7.5616 7.5632 8.2474 8.2489 16.0192 16.0201 18.4815 18.4835 18.9184 18.9187 22.0119 22.0119 k = 0.5000 0.3651-0.0000 ( 756 PWs) bands (ev): -4.9000 -4.8999 0.0115 0.0116 0.5463 0.5469 4.2678 4.2678 5.1573 5.1608 5.6066 5.6095 7.5836 7.5852 8.2089 8.2105 15.9613 15.9623 18.3534 18.3553 18.8250 18.8253 21.9333 21.9334 k = 0.5000 0.3730-0.0000 ( 754 PWs) bands (ev): -4.8285 -4.8285 0.0956 0.0957 0.4353 0.4358 4.1818 4.1818 5.1791 5.1826 5.6225 5.6254 7.6053 7.6069 8.1745 8.1761 15.9077 15.9087 18.2295 18.2313 18.7359 18.7361 21.8583 21.8583 k = 0.5000 0.3810-0.0000 ( 760 PWs) bands (ev): -4.7577 -4.7577 0.1798 0.1799 0.3263 0.3268 4.0938 4.0939 5.2019 5.2053 5.6369 5.6398 7.6267 7.6284 8.1437 8.1454 15.8582 15.8592 18.1100 18.1118 18.6511 18.6513 21.7868 21.7868 k = 0.5000 0.3889-0.0000 ( 760 PWs) bands (ev): -4.6879 -4.6878 0.2200 0.2204 0.2641 0.2642 4.0045 4.0045 5.2254 5.2288 5.6498 5.6526 7.6478 7.6494 8.1163 8.1180 15.8130 15.8140 17.9957 17.9975 18.5710 18.5712 21.7194 21.7194 k = 0.5000 0.3968-0.0000 ( 760 PWs) bands (ev): -4.6193 -4.6192 0.1168 0.1173 0.3480 0.3481 3.9144 3.9144 5.2494 5.2527 5.6611 5.6640 7.6684 7.6701 8.0918 8.0935 15.7719 15.7730 17.8868 17.8885 18.4958 18.4959 21.6560 21.6561 k = 0.5000 0.4048-0.0000 ( 764 PWs) bands (ev): -4.5524 -4.5523 0.0174 0.0178 0.4312 0.4313 3.8242 3.8242 5.2736 5.2767 5.6708 5.6736 7.6885 7.6902 8.0699 8.0716 15.7349 15.7360 17.7836 17.7852 18.4254 18.4255 21.5968 21.5969 k = 0.5000 0.4127-0.0000 ( 768 PWs) bands (ev): -4.4877 -4.4876 -0.0777 -0.0774 0.5133 0.5133 3.7346 3.7347 5.2976 5.3007 5.6790 5.6817 7.7082 7.7099 8.0502 8.0519 15.7020 15.7030 17.6865 17.6880 18.3601 18.3602 21.5420 21.5420 k = 0.5000 0.4206-0.0000 ( 768 PWs) bands (ev): -4.4256 -4.4255 -0.1680 -0.1676 0.5936 0.5937 3.6465 3.6466 5.3213 5.3243 5.6856 5.6882 7.7273 7.7290 8.0324 8.0341 15.6730 15.6740 17.5960 17.5975 18.3000 18.3001 21.4916 21.4916 k = 0.5000 0.4286-0.0000 ( 768 PWs) bands (ev): -4.3666 -4.3665 -0.2526 -0.2523 0.6716 0.6717 3.5608 3.5609 5.3444 5.3473 5.6906 5.6932 7.7458 7.7475 8.0162 8.0179 15.6478 15.6487 17.5124 17.5138 18.2452 18.2453 21.4456 21.4457 k = 0.5000 0.4365-0.0000 ( 768 PWs) bands (ev): -4.3114 -4.3113 -0.3311 -0.3308 0.7464 0.7465 3.4785 3.4786 5.3666 5.3694 5.6942 5.6967 7.7636 7.7653 8.0012 8.0029 15.6261 15.6269 17.4362 17.4374 18.1959 18.1959 21.4043 21.4044 k = 0.5000 0.4444-0.0000 ( 768 PWs) bands (ev): -4.2605 -4.2605 -0.4026 -0.4023 0.8172 0.8173 3.4007 3.4008 5.3876 5.3902 5.6965 5.6989 7.7807 7.7824 7.9874 7.9891 15.6077 15.6085 17.3677 17.3688 18.1521 18.1521 21.3677 21.3677 k = 0.5000 0.4524-0.0000 ( 776 PWs) bands (ev): -4.2147 -4.2146 -0.4665 -0.4663 0.8828 0.8828 3.3287 3.3287 5.4070 5.4094 5.6975 5.6997 7.7971 7.7988 7.9743 7.9760 15.5925 15.5932 17.3072 17.3082 18.1139 18.1139 21.3358 21.3358 k = 0.5000 0.4603-0.0000 ( 776 PWs) bands (ev): -4.1744 -4.1744 -0.5221 -0.5219 0.9419 0.9420 3.2638 3.2638 5.4246 5.4267 5.6977 5.6997 7.8126 7.8142 7.9621 7.9637 15.5802 15.5808 17.2554 17.2562 18.0815 18.0815 21.3087 21.3087 k = 0.5000 0.4683-0.0000 ( 776 PWs) bands (ev): -4.1405 -4.1404 -0.5687 -0.5685 0.9932 0.9933 3.2077 3.2077 5.4398 5.4416 5.6972 5.6989 7.8271 7.8287 7.9505 7.9521 15.5705 15.5710 17.2124 17.2130 18.0548 18.0549 21.2865 21.2865 k = 0.5000 0.4762-0.0000 ( 776 PWs) bands (ev): -4.1134 -4.1133 -0.6056 -0.6055 1.0352 1.0352 3.1618 3.1618 5.4524 5.4538 5.6964 5.6977 7.8404 7.8418 7.9398 7.9412 15.5633 15.5637 17.1786 17.1791 18.0341 18.0341 21.2692 21.2692 k = 0.5000 0.4841-0.0000 ( 776 PWs) bands (ev): -4.0936 -4.0936 -0.6324 -0.6324 1.0665 1.0665 3.1277 3.1277 5.4618 5.4628 5.6955 5.6964 7.8519 7.8531 7.9303 7.9315 15.5583 15.5586 17.1542 17.1546 18.0192 18.0192 21.2568 21.2568 k = 0.5000 0.4921-0.0000 ( 776 PWs) bands (ev): -4.0816 -4.0816 -0.6487 -0.6486 1.0858 1.0858 3.1067 3.1067 5.4678 5.4683 5.6949 5.6954 7.8605 7.8612 7.9233 7.9241 15.5554 15.5555 17.1396 17.1398 18.0102 18.0103 21.2493 21.2493 k = 0.5000 0.5000-0.0000 ( 776 PWs) bands (ev): -4.0776 -4.0776 -0.6541 -0.6541 1.0923 1.0923 3.0996 3.0996 5.4700 5.4700 5.6949 5.6949 7.8641 7.8641 7.9208 7.9208 15.5545 15.5545 17.1347 17.1347 18.0073 18.0073 21.2469 21.2469 k = 0.5000 0.5000-0.0000 ( 776 PWs) bands (ev): -4.0776 -4.0776 -0.6541 -0.6541 1.0923 1.0923 3.0996 3.0996 5.4700 5.4700 5.6949 5.6949 7.8641 7.8641 7.9208 7.9208 15.5545 15.5545 17.1347 17.1347 18.0073 18.0073 21.2469 21.2469 k = 0.4921 0.5000-0.0000 ( 776 PWs) bands (ev): -4.0792 -4.0792 -0.6622 -0.6622 1.1014 1.1015 3.1027 3.1027 5.4696 5.4696 5.6947 5.6948 7.8628 7.8629 7.9190 7.9190 15.5585 15.5585 17.1364 17.1364 18.0116 18.0116 21.2493 21.2493 k = 0.4841 0.5000-0.0000 ( 776 PWs) bands (ev): -4.0840 -4.0840 -0.6860 -0.6859 1.1281 1.1283 3.1119 3.1121 5.4684 5.4685 5.6944 5.6946 7.8591 7.8592 7.9133 7.9133 15.5705 15.5706 17.1414 17.1415 18.0247 18.0247 21.2565 21.2566 k = 0.4762 0.5000-0.0000 ( 776 PWs) bands (ev): -4.0920 -4.0919 -0.7241 -0.7239 1.1711 1.1714 3.1273 3.1275 5.4664 5.4666 5.6940 5.6943 7.8530 7.8532 7.9040 7.9040 15.5905 15.5906 17.1499 17.1499 18.0464 18.0464 21.2687 21.2688 k = 0.4683 0.5000-0.0000 ( 776 PWs) bands (ev): -4.1030 -4.1030 -0.7744 -0.7743 1.2284 1.2288 3.1488 3.1491 5.4637 5.4640 5.6934 5.6938 7.8445 7.8447 7.8910 7.8911 15.6184 15.6185 17.1619 17.1620 18.0766 18.0766 21.2857 21.2859 k = 0.4603 0.5000-0.0000 ( 776 PWs) bands (ev): -4.1172 -4.1171 -0.8350 -0.8348 1.2977 1.2981 3.1763 3.1766 5.4602 5.4606 5.6928 5.6934 7.8337 7.8339 7.8746 7.8747 15.6541 15.6542 17.1776 17.1777 18.1149 18.1149 21.3075 21.3077 k = 0.4524 0.5000-0.0000 ( 776 PWs) bands (ev): -4.1342 -4.1342 -0.9037 -0.9035 1.3769 1.3775 3.2096 3.2100 5.4560 5.4565 5.6924 5.6930 7.8206 7.8209 7.8548 7.8549 15.6974 15.6975 17.1970 17.1971 18.1612 18.1612 21.3342 21.3344 k = 0.4444 0.5000-0.0000 ( 768 PWs) bands (ev): -4.1541 -4.1540 -0.9787 -0.9784 1.4642 1.4648 3.2486 3.2492 5.4511 5.4516 5.6922 5.6929 7.8053 7.8056 7.8319 7.8320 15.7481 15.7483 17.2205 17.2206 18.2152 18.2152 21.3657 21.3660 k = 0.4365 0.5000-0.0000 ( 768 PWs) bands (ev): -4.1767 -4.1766 -1.0585 -1.0582 1.5577 1.5584 3.2932 3.2938 5.4455 5.4461 5.6923 5.6931 7.7879 7.7883 7.8060 7.8061 15.8061 15.8063 17.2480 17.2481 18.2766 18.2766 21.4020 21.4023 k = 0.4286 0.5000-0.0000 ( 768 PWs) bands (ev): -4.2019 -4.2018 -1.1418 -1.1416 1.6562 1.6569 3.3430 3.3438 5.4393 5.4400 5.6930 5.6939 7.7685 7.7689 7.7774 7.7776 15.8711 15.8713 17.2797 17.2799 18.3450 18.3450 21.4430 21.4433 k = 0.4206 0.5000-0.0000 ( 768 PWs) bands (ev): -4.2295 -4.2294 -1.2277 -1.2274 1.7584 1.7592 3.3980 3.3988 5.4324 5.4332 5.6944 5.6954 7.7457 7.7458 7.7480 7.7482 15.9429 15.9432 17.3157 17.3159 18.4202 18.4202 21.4887 21.4891 k = 0.4127 0.5000-0.0000 ( 768 PWs) bands (ev): -4.2593 -4.2592 -1.3153 -1.3150 1.8634 1.8642 3.4579 3.4588 5.4249 5.4258 5.6968 5.6980 7.7127 7.7128 7.7245 7.7249 16.0213 16.0215 17.3561 17.3563 18.5018 18.5019 21.5392 21.5396 k = 0.4048 0.5000-0.0000 ( 764 PWs) bands (ev): -4.2913 -4.2912 -1.4040 -1.4038 1.9702 1.9711 3.5224 3.5234 5.4169 5.4179 5.7004 5.7017 7.6774 7.6776 7.6998 7.7003 16.1059 16.1062 17.4009 17.4011 18.5896 18.5897 21.5943 21.5947 k = 0.3968 0.5000-0.0000 ( 760 PWs) bands (ev): -4.3252 -4.3250 -1.4933 -1.4930 2.0780 2.0790 3.5912 3.5923 5.4084 5.4095 5.7056 5.7070 7.6404 7.6406 7.6738 7.6743 16.1966 16.1969 17.4502 17.4505 18.6833 18.6834 21.6541 21.6546 k = 0.3889 0.5000-0.0000 ( 760 PWs) bands (ev): -4.3608 -4.3607 -1.5827 -1.5825 2.1862 2.1872 3.6640 3.6653 5.3994 5.4006 5.7126 5.7141 7.6020 7.6022 7.6464 7.6470 16.2930 16.2934 17.5040 17.5043 18.7825 18.7826 21.7183 21.7189 k = 0.3810 0.5000-0.0000 ( 760 PWs) bands (ev): -4.3981 -4.3979 -1.6720 -1.6718 2.2939 2.2950 3.7405 3.7419 5.3900 5.3913 5.7218 5.7234 7.5625 7.5628 7.6180 7.6186 16.3949 16.3953 17.5622 17.5625 18.8870 18.8871 21.7872 21.7877 k = 0.3730 0.5000-0.0000 ( 754 PWs) bands (ev): -4.4367 -4.4366 -1.7609 -1.7606 2.4007 2.4019 3.8204 3.8220 5.3804 5.3818 5.7335 5.7353 7.5223 7.5226 7.5886 7.5893 16.5021 16.5026 17.6249 17.6252 18.9967 18.9968 21.8606 21.8612 k = 0.3651 0.5000-0.0000 ( 756 PWs) bands (ev): -4.4766 -4.4765 -1.8491 -1.8489 2.5058 2.5070 3.9032 3.9049 5.3705 5.3720 5.7481 5.7501 7.4816 7.4820 7.5584 7.5592 16.6141 16.6147 17.6919 17.6922 19.1109 19.1110 21.9383 21.9389 k = 0.3571 0.5000-0.0000 ( 760 PWs) bands (ev): -4.5177 -4.5175 -1.9364 -1.9362 2.6086 2.6099 3.9886 3.9905 5.3604 5.3621 5.7660 5.7681 7.4409 7.4412 7.5277 7.5285 16.7309 16.7314 17.7632 17.7635 19.2296 19.2297 22.0203 22.0209 k = 0.3492 0.5000-0.0000 ( 760 PWs) bands (ev): -4.5596 -4.5595 -2.0227 -2.0225 2.7086 2.7099 4.0761 4.0782 5.3503 5.3522 5.7876 5.7898 7.4004 7.4008 7.4968 7.4977 16.8520 16.8526 17.8387 17.8391 19.3524 19.3526 22.1066 22.1072 k = 0.3413 0.5000-0.0000 ( 764 PWs) bands (ev): -4.6023 -4.6022 -2.1079 -2.1077 2.8049 2.8063 4.1651 4.1675 5.3404 5.3425 5.8132 5.8155 7.3606 7.3610 7.4659 7.4668 16.9773 16.9779 17.9183 17.9187 19.4792 19.4793 22.1970 22.1977 k = 0.3333 0.5000-0.0000 ( 768 PWs) bands (ev): -4.6457 -4.6456 -2.1919 -2.1917 2.8972 2.8987 4.2550 4.2576 5.3309 5.3332 5.8432 5.8457 7.3219 7.3224 7.4352 7.4362 17.1064 17.1071 18.0019 18.0023 19.6094 19.6096 22.2916 22.2923 k = 0.3254 0.5000-0.0000 ( 772 PWs) bands (ev): -4.6895 -4.6894 -2.2744 -2.2742 2.9849 2.9864 4.3452 4.3480 5.3220 5.3245 5.8778 5.8804 7.2846 7.2852 7.4053 7.4063 17.2392 17.2400 18.0894 18.0899 19.7430 19.7432 22.3901 22.3908 k = 0.3175 0.5000-0.0000 ( 772 PWs) bands (ev): -4.7337 -4.7336 -2.3555 -2.3553 3.0674 3.0689 4.4347 4.4379 5.3141 5.3169 5.9171 5.9198 7.2494 7.2501 7.3764 7.3775 17.3754 17.3763 18.1807 18.1812 19.8795 19.8797 22.4926 22.4933 k = 0.3095 0.5000-0.0000 ( 776 PWs) bands (ev): -4.7781 -4.7780 -2.4351 -2.4349 3.1444 3.1459 4.5225 4.5261 5.3077 5.3109 5.9610 5.9639 7.2167 7.2174 7.3491 7.3503 17.5147 17.5157 18.2757 18.2762 20.0186 20.0188 22.5988 22.5995 k = 0.3016 0.5000-0.0000 ( 776 PWs) bands (ev): -4.8226 -4.8225 -2.5130 -2.5128 3.2154 3.2170 4.6073 4.6114 5.3036 5.3071 6.0094 6.0124 7.1872 7.1880 7.3240 7.3253 17.6570 17.6580 18.3742 18.3748 20.1600 20.1602 22.7086 22.7093 k = 0.2937 0.5000-0.0000 ( 784 PWs) bands (ev): -4.8671 -4.8669 -2.5893 -2.5892 3.2804 3.2820 4.6874 4.6919 5.3026 5.3066 6.0617 6.0648 7.1614 7.1622 7.3019 7.3033 17.8018 17.8029 18.4761 18.4767 20.3032 20.3034 22.8218 22.8225 k = 0.2857 0.5000-0.0000 ( 784 PWs) bands (ev): -4.9114 -4.9112 -2.6640 -2.6638 3.3391 3.3407 4.7608 4.7658 5.3062 5.3105 6.1170 6.1202 7.1401 7.1411 7.2839 7.2854 17.9492 17.9503 18.5812 18.5818 20.4478 20.4480 22.9383 22.9390 k = 0.2778 0.5000-0.0000 ( 784 PWs) bands (ev): -4.9554 -4.9553 -2.7369 -2.7367 3.3916 3.3932 4.8251 4.8305 5.3158 5.3205 6.1741 6.1774 7.1242 7.1253 7.2713 7.2728 18.0987 18.0999 18.6894 18.6901 20.5934 20.5936 23.0577 23.0584 k = 0.2698 0.5000-0.0000 ( 784 PWs) bands (ev): -4.9991 -4.9990 -2.8080 -2.8078 3.4380 3.4395 4.8780 4.8836 5.3330 5.3378 6.2313 6.2346 7.1145 7.1157 7.2656 7.2672 18.2502 18.2515 18.8006 18.8013 20.7393 20.7396 23.1798 23.1805 k = 0.2619 0.5000-0.0000 ( 784 PWs) bands (ev): -5.0424 -5.0423 -2.8773 -2.8771 3.4784 3.4800 4.9181 4.9237 5.3582 5.3629 6.2863 6.2896 7.1120 7.1133 7.2690 7.2705 18.4034 18.4049 18.9145 18.9152 20.8851 20.8855 23.3042 23.3048 k = 0.2540 0.5000-0.0000 ( 782 PWs) bands (ev): -5.0851 -5.0850 -2.9447 -2.9446 3.5133 3.5148 4.9457 4.9510 5.3903 5.3945 6.3368 6.3400 7.1175 7.1189 7.2835 7.2850 18.5582 18.5597 19.0310 19.0318 21.0301 21.0304 23.4304 23.4310 k = 0.2460 0.5000-0.0000 ( 782 PWs) bands (ev): -5.1272 -5.1271 -3.0103 -3.0102 3.5429 3.5444 4.9623 4.9671 5.4265 5.4301 6.3801 6.3833 7.1318 7.1334 7.3112 7.3127 18.7142 18.7159 19.1500 19.1508 21.1733 21.1737 23.5577 23.5582 k = 0.2381 0.5000-0.0000 ( 778 PWs) bands (ev): -5.1686 -5.1685 -3.0740 -3.0738 3.5677 3.5692 4.9704 4.9747 5.4635 5.4665 6.4145 6.4175 7.1558 7.1575 7.3538 7.3552 18.8712 18.8730 19.2711 19.2720 21.3140 21.3144 23.6851 23.6855 k = 0.2302 0.5000-0.0000 ( 778 PWs) bands (ev): -5.2092 -5.2091 -3.1357 -3.1356 3.5881 3.5895 4.9723 4.9761 5.4983 5.5008 6.4388 6.4416 7.1897 7.1914 7.4117 7.4128 19.0290 19.0309 19.3943 19.3952 21.4509 21.4514 23.8113 23.8116 k = 0.2222 0.5000-0.0000 ( 778 PWs) bands (ev): -5.2490 -5.2489 -3.1955 -3.1954 3.6044 3.6058 4.9698 4.9731 5.5290 5.5309 6.4534 6.4559 7.2336 7.2355 7.4842 7.4851 19.1873 19.1894 19.5193 19.5203 21.5830 21.5835 23.9344 23.9346 k = 0.2143 0.5000-0.0000 ( 778 PWs) bands (ev): -5.2879 -5.2878 -3.2533 -3.2532 3.6172 3.6185 4.9643 4.9673 5.5542 5.5556 6.4591 6.4613 7.2874 7.2893 7.5696 7.5703 19.3459 19.3481 19.6458 19.6469 21.7083 21.7088 24.0511 24.0511 k = 0.2063 0.5000-0.0000 ( 778 PWs) bands (ev): -5.3258 -5.3257 -3.3092 -3.3091 3.6269 3.6281 4.9567 4.9593 5.5734 5.5746 6.4576 6.4596 7.3504 7.3523 7.6661 7.6665 19.5044 19.5068 19.7737 19.7749 21.8251 21.8256 24.1561 24.1564 k = 0.1984 0.5000-0.0000 ( 778 PWs) bands (ev): -5.3627 -5.3626 -3.3630 -3.3629 3.6338 3.6349 4.9476 4.9499 5.5869 5.5877 6.4505 6.4522 7.4216 7.4236 7.7714 7.7716 19.6625 19.6651 19.9026 19.9039 21.9312 21.9316 24.2417 24.2424 k = 0.1905 0.5000-0.0000 ( 776 PWs) bands (ev): -5.3985 -5.3984 -3.4148 -3.4147 3.6382 3.6393 4.9375 4.9396 5.5949 5.5955 6.4390 6.4406 7.5002 7.5022 7.8836 7.8837 19.8200 19.8227 20.0322 20.0336 22.0238 22.0242 24.2965 24.2975 k = 0.1825 0.5000-0.0000 ( 772 PWs) bands (ev): -5.4331 -5.4330 -3.4646 -3.4645 3.6406 3.6417 4.9267 4.9286 5.5982 5.5986 6.4245 6.4259 7.5849 7.5868 8.0011 8.0011 19.9764 19.9793 20.1622 20.1637 22.1001 22.1004 24.3086 24.3099 k = 0.1746 0.5000-0.0000 ( 772 PWs) bands (ev): -5.4666 -5.4665 -3.5124 -3.5123 3.6413 3.6423 4.9155 4.9172 5.5974 5.5976 6.4078 6.4090 7.6743 7.6762 8.1223 8.1224 20.1313 20.1344 20.2919 20.2936 22.1572 22.1574 24.2736 24.2749 k = 0.1667 0.5000-0.0000 ( 772 PWs) bands (ev): -5.4989 -5.4988 -3.5581 -3.5580 3.6404 3.6414 4.9040 4.9055 5.5932 5.5934 6.3897 6.3908 7.7674 7.7693 8.2461 8.2462 20.2842 20.2875 20.4208 20.4227 22.1926 22.1926 24.1992 24.2006 k = 0.1587 0.5000-0.0000 ( 768 PWs) bands (ev): -5.5299 -5.5298 -3.6017 -3.6016 3.6384 3.6392 4.8925 4.8939 5.5863 5.5864 6.3707 6.3717 7.8632 7.8650 8.3715 8.3717 20.4345 20.4381 20.5482 20.5504 22.2051 22.2054 24.0990 24.1004 k = 0.1508 0.5000-0.0000 ( 768 PWs) bands (ev): -5.5596 -5.5595 -3.6433 -3.6432 3.6353 3.6361 4.8809 4.8822 5.5774 5.5775 6.3513 6.3521 7.9605 7.9622 8.4974 8.4977 20.5816 20.5854 20.6728 20.6753 22.1956 22.1963 23.9851 23.9866 k = 0.1429 0.5000-0.0000 ( 772 PWs) bands (ev): -5.5880 -5.5879 -3.6828 -3.6827 3.6313 3.6321 4.8695 4.8707 5.5670 5.5670 6.3317 6.3325 8.0584 8.0601 8.6231 8.6234 20.7245 20.7286 20.7930 20.7958 22.1671 22.1683 23.8660 23.8677 k = 0.1349 0.5000-0.0000 ( 776 PWs) bands (ev): -5.6150 -5.6149 -3.7202 -3.7201 3.6268 3.6275 4.8584 4.8594 5.5554 5.5555 6.3124 6.3130 8.1562 8.1577 8.7477 8.7481 20.8624 20.8667 20.9064 20.9096 22.1251 22.1270 23.7477 23.7495 k = 0.1270 0.5000-0.0000 ( 776 PWs) bands (ev): -5.6406 -5.6405 -3.7554 -3.7554 3.6218 3.6225 4.8475 4.8484 5.5432 5.5433 6.2934 6.2940 8.2529 8.2544 8.8705 8.8708 20.9939 20.9985 21.0091 21.0128 22.0775 22.0801 23.6344 23.6364 k = 0.1190 0.5000-0.0000 ( 776 PWs) bands (ev): -5.6648 -5.6647 -3.7886 -3.7886 3.6165 3.6171 4.8370 4.8378 5.5306 5.5307 6.2750 6.2756 8.3479 8.3493 8.9907 8.9911 21.0951 21.0994 21.1177 21.1225 22.0341 22.0375 23.5296 23.5318 k = 0.1111 0.5000-0.0000 ( 776 PWs) bands (ev): -5.6875 -5.6875 -3.8197 -3.8196 3.6111 3.6116 4.8269 4.8277 5.5180 5.5181 6.2574 6.2578 8.4404 8.4417 9.1076 9.1080 21.1563 21.1612 21.2317 21.2368 22.0068 22.0108 23.4366 23.4391 k = 0.1032 0.5000-0.0000 ( 776 PWs) bands (ev): -5.7088 -5.7087 -3.8486 -3.8486 3.6055 3.6061 4.8173 4.8180 5.5055 5.5057 6.2405 6.2410 8.5298 8.5310 9.2205 9.2209 21.1849 21.1900 21.3340 21.3393 22.0068 22.0112 23.3585 23.3611 k = 0.0952 0.5000-0.0000 ( 776 PWs) bands (ev): -5.7286 -5.7285 -3.8755 -3.8754 3.6001 3.6005 4.8082 4.8089 5.4935 5.4936 6.2247 6.2250 8.6154 8.6165 9.3288 9.3291 21.1783 21.1832 21.4223 21.4277 22.0390 22.0434 23.2982 23.3009 k = 0.0873 0.5000-0.0000 ( 772 PWs) bands (ev): -5.7468 -5.7468 -3.9002 -3.9001 3.5947 3.5952 4.7998 4.8003 5.4819 5.4820 6.2098 6.2102 8.6967 8.6978 9.4317 9.4320 21.1426 21.1470 21.4946 21.5000 22.0994 22.1034 23.2583 23.2610 k = 0.0794 0.5000-0.0000 ( 772 PWs) bands (ev): -5.7636 -5.7635 -3.9227 -3.9227 3.5896 3.5900 4.7919 4.7924 5.4710 5.4711 6.1961 6.1964 8.7730 8.7740 9.5285 9.5288 21.0879 21.0917 21.5494 21.5547 22.1790 22.1824 23.2405 23.2432 k = 0.0714 0.5000-0.0000 ( 772 PWs) bands (ev): -5.7787 -5.7787 -3.9431 -3.9431 3.5848 3.5851 4.7846 4.7850 5.4608 5.4609 6.1835 6.1837 8.8439 8.8448 9.6185 9.6189 21.0234 21.0266 21.5868 21.5917 22.2693 22.2722 23.2452 23.2476 k = 0.0635 0.5000-0.0000 ( 776 PWs) bands (ev): -5.7924 -5.7923 -3.9614 -3.9614 3.5803 3.5806 4.7779 4.7783 5.4516 5.4516 6.1721 6.1723 8.9088 8.9096 9.7013 9.7015 20.9557 20.9584 21.6081 21.6126 22.3641 22.3667 23.2707 23.2728 k = 0.0556 0.5000-0.0000 ( 772 PWs) bands (ev): -5.8044 -5.8044 -3.9776 -3.9776 3.5762 3.5765 4.7720 4.7724 5.4432 5.4433 6.1619 6.1621 8.9673 8.9680 9.7760 9.7762 20.8895 20.8917 21.6162 21.6202 22.4592 22.4614 23.3142 23.3158 k = 0.0476 0.5000-0.0000 ( 768 PWs) bands (ev): -5.8149 -5.8148 -3.9916 -3.9915 3.5726 3.5729 4.7670 4.7672 5.4359 5.4360 6.1531 6.1533 9.0190 9.0196 9.8421 9.8423 20.8278 20.8296 21.6145 21.6179 22.5511 22.5529 23.3713 23.3725 k = 0.0397 0.5000-0.0000 ( 768 PWs) bands (ev): -5.8237 -5.8237 -4.0034 -4.0034 3.5695 3.5697 4.7626 4.7628 5.4296 5.4297 6.1456 6.1457 9.0633 9.0638 9.8991 9.8992 20.7727 20.7741 21.6068 21.6096 22.6367 22.6383 23.4374 23.4381 k = 0.0317 0.5000-0.0000 ( 764 PWs) bands (ev): -5.8310 -5.8310 -4.0131 -4.0131 3.5669 3.5671 4.7590 4.7591 5.4244 5.4245 6.1394 6.1395 9.1003 9.1007 9.9464 9.9466 20.7258 20.7269 21.5962 21.5984 22.7133 22.7146 23.5072 23.5075 k = 0.0238 0.5000-0.0000 ( 764 PWs) bands (ev): -5.8367 -5.8366 -4.0206 -4.0206 3.5649 3.5650 4.7561 4.7563 5.4204 5.4204 6.1345 6.1346 9.1292 9.1295 9.9837 9.9838 20.6883 20.6891 21.5854 21.5870 22.7777 22.7786 23.5747 23.5748 k = 0.0159 0.5000-0.0000 ( 764 PWs) bands (ev): -5.8407 -5.8407 -4.0260 -4.0260 3.5634 3.5635 4.7541 4.7542 5.4174 5.4175 6.1311 6.1311 9.1501 9.1503 10.0106 10.0107 20.6610 20.6615 21.5764 21.5775 22.8267 22.8274 23.6329 23.6330 k = 0.0079 0.5000-0.0000 ( 766 PWs) bands (ev): -5.8431 -5.8431 -4.0292 -4.0292 3.5625 3.5626 4.7529 4.7530 5.4157 5.4157 6.1290 6.1290 9.1626 9.1627 10.0268 10.0268 20.6443 20.6446 21.5705 21.5711 22.8576 22.8580 23.6735 23.6736 k = 0.0000 0.5000-0.0000 ( 766 PWs) bands (ev): -5.8439 -5.8439 -4.0303 -4.0303 3.5622 3.5622 4.7525 4.7525 5.4151 5.4151 6.1283 6.1283 9.1668 9.1668 10.0322 10.0322 20.6388 20.6388 21.5687 21.5687 22.8683 22.8683 23.6883 23.6883 k = 0.0000 0.5000-0.0000 ( 766 PWs) bands (ev): -5.8439 -5.8439 -4.0303 -4.0303 3.5622 3.5622 4.7525 4.7525 5.4151 5.4151 6.1283 6.1283 9.1668 9.1668 10.0322 10.0322 20.6388 20.6388 21.5687 21.5687 22.8683 22.8683 23.6883 23.6883 k = 0.0000 0.4921-0.0000 ( 766 PWs) bands (ev): -5.8522 -5.8522 -4.0209 -4.0209 3.5555 3.5556 4.7447 4.7448 5.4232 5.4233 6.1387 6.1388 9.1598 9.1598 10.0390 10.0390 20.6330 20.6332 21.5723 21.5725 22.8590 22.8590 23.6722 23.6723 k = 0.0000 0.4841-0.0000 ( 766 PWs) bands (ev): -5.8767 -5.8767 -3.9932 -3.9932 3.5359 3.5362 4.7217 4.7220 5.4476 5.4476 6.1692 6.1693 9.1396 9.1396 10.0588 10.0588 20.6161 20.6163 21.5831 21.5834 22.8317 22.8318 23.6280 23.6283 k = 0.0000 0.4762-0.0000 ( 770 PWs) bands (ev): -5.9158 -5.9158 -3.9486 -3.9486 3.5046 3.5049 4.6849 4.6853 5.4879 5.4879 6.2176 6.2177 9.1078 9.1078 10.0898 10.0898 20.5888 20.5891 21.5999 21.6003 22.7885 22.7885 23.5635 23.5638 k = 0.0000 0.4683-0.0000 ( 770 PWs) bands (ev): -5.9676 -5.9676 -3.8893 -3.8892 3.4633 3.4637 4.6362 4.6367 5.5433 5.5433 6.2812 6.2813 9.0665 9.0665 10.1299 10.1299 20.5527 20.5530 21.6215 21.6221 22.7320 22.7320 23.4854 23.4857 k = 0.0000 0.4603-0.0000 ( 774 PWs) bands (ev): -6.0299 -6.0299 -3.8173 -3.8173 3.4138 3.4143 4.5780 4.5786 5.6123 5.6123 6.3572 6.3573 9.0177 9.0177 10.1772 10.1772 20.5088 20.5092 21.6465 21.6471 22.6648 22.6648 23.3978 23.3980 k = 0.0000 0.4524-0.0000 ( 778 PWs) bands (ev): -6.1006 -6.1005 -3.7350 -3.7349 3.3579 3.3585 4.5124 4.5131 5.6933 5.6934 6.4432 6.4433 8.9633 8.9633 10.2297 10.2297 20.4587 20.4592 21.6733 21.6741 22.5895 22.5895 23.3037 23.3040 k = 0.0000 0.4444-0.0000 ( 778 PWs) bands (ev): -6.1778 -6.1777 -3.6442 -3.6441 3.2975 3.2982 4.4415 4.4424 5.7847 5.7848 6.5373 6.5373 8.9048 8.9048 10.2861 10.2861 20.4035 20.4040 21.7008 21.7016 22.5081 22.5081 23.2049 23.2051 k = 0.0000 0.4365-0.0000 ( 778 PWs) bands (ev): -6.2599 -6.2599 -3.5466 -3.5466 3.2340 3.2348 4.3669 4.3679 5.8849 5.8851 6.6378 6.6378 8.8431 8.8431 10.3452 10.3452 20.3442 20.3447 21.7277 21.7286 22.4223 22.4223 23.1027 23.1029 k = 0.0000 0.4286-0.0000 ( 774 PWs) bands (ev): -6.3458 -6.3457 -3.4437 -3.4436 3.1687 3.1696 4.2899 4.2910 5.9927 5.9930 6.7436 6.7437 8.7792 8.7792 10.4062 10.4062 20.2816 20.2821 21.7530 21.7539 22.3334 22.3334 22.9981 22.9983 k = 0.0000 0.4206-0.0000 ( 772 PWs) bands (ev): -6.4342 -6.4342 -3.3366 -3.3365 3.1026 3.1036 4.2115 4.2126 6.1070 6.1073 6.8539 6.8540 8.7137 8.7137 10.4686 10.4686 20.2163 20.2168 21.7757 21.7768 22.2425 22.2425 22.8919 22.8920 k = 0.0000 0.4127-0.0000 ( 772 PWs) bands (ev): -6.5245 -6.5245 -3.2264 -3.2263 3.0366 3.0376 4.1323 4.1336 6.2269 6.2273 6.9679 6.9681 8.6470 8.6470 10.5317 10.5317 20.1488 20.1493 21.7951 21.7961 22.1502 22.1502 22.7847 22.7848 k = 0.0000 0.4048-0.0000 ( 776 PWs) bands (ev): -6.6159 -6.6159 -3.1138 -3.1137 2.9713 2.9725 4.0531 4.0545 6.3517 6.3522 7.0851 7.0854 8.5795 8.5795 10.5952 10.5952 20.0796 20.0801 21.8101 21.8112 22.0572 22.0572 22.6772 22.6774 k = 0.0000 0.3968-0.0000 ( 770 PWs) bands (ev): -6.7079 -6.7079 -2.9997 -2.9996 2.9076 2.9089 3.9745 3.9760 6.4808 6.4814 7.2053 7.2057 8.5117 8.5117 10.6589 10.6589 20.0090 20.0095 21.8203 21.8214 21.9640 21.9640 22.5704 22.5705 k = 0.0000 0.3889-0.0000 ( 770 PWs) bands (ev): -6.8001 -6.8001 -2.8847 -2.8846 2.8458 2.8473 3.8967 3.8983 6.6137 6.6144 7.3278 7.3283 8.4435 8.4435 10.7223 10.7223 19.9374 19.9379 21.8240 21.8251 21.8710 21.8712 22.4647 22.4649 k = 0.0000 0.3810-0.0000 ( 770 PWs) bands (ev): -6.8921 -6.8921 -2.7694 -2.7693 2.7866 2.7881 3.8202 3.8219 6.7500 6.7508 7.4526 7.4532 8.3754 8.3754 10.7854 10.7854 19.8648 19.8653 21.7781 21.7782 21.8206 21.8220 22.3616 22.3617 k = 0.0000 0.3730-0.0000 ( 762 PWs) bands (ev): -6.9837 -6.9837 -2.6544 -2.6542 2.7302 2.7319 3.7455 3.7473 6.8894 6.8903 7.5794 7.5800 8.3074 8.3074 10.8480 10.8480 19.7918 19.7923 21.6864 21.6864 21.8078 21.8091 22.2624 22.2625 k = 0.0000 0.3651-0.0000 ( 762 PWs) bands (ev): -7.0746 -7.0746 -2.5403 -2.5401 2.6770 2.6788 3.6726 3.6746 7.0316 7.0326 7.7079 7.7087 8.2398 8.2398 10.9099 10.9099 19.7181 19.7186 21.5954 21.5955 21.7834 21.7846 22.1694 22.1695 k = 0.0000 0.3571-0.0000 ( 762 PWs) bands (ev): -7.1646 -7.1646 -2.4276 -2.4274 2.6273 2.6292 3.6022 3.6043 7.1763 7.1774 7.8381 7.8390 8.1725 8.1725 10.9709 10.9709 19.6441 19.6445 21.5055 21.5056 21.7446 21.7458 22.0852 22.0853 k = 0.0000 0.3492-0.0000 ( 762 PWs) bands (ev): -7.2536 -7.2536 -2.3169 -2.3167 2.5812 2.5834 3.5345 3.5368 7.3232 7.3244 7.9698 7.9708 8.1058 8.1059 11.0311 11.0311 19.5697 19.5702 21.4168 21.4169 21.6894 21.6903 22.0117 22.0119 k = 0.0000 0.3413-0.0000 ( 762 PWs) bands (ev): -7.3414 -7.3414 -2.2087 -2.2084 2.5391 2.5414 3.4700 3.4725 7.4722 7.4736 8.0397 8.0398 8.1030 8.1042 11.0903 11.0903 19.4952 19.4956 21.3295 21.3295 21.6182 21.6189 21.9480 21.9485 k = 0.0000 0.3333-0.0000 ( 762 PWs) bands (ev): -7.4279 -7.4279 -2.1035 -2.1033 2.5008 2.5033 3.4094 3.4120 7.6231 7.6246 7.9744 7.9744 8.2374 8.2387 11.1483 11.1483 19.4205 19.4209 21.2436 21.2436 21.5345 21.5351 21.8907 21.8914 k = 0.0000 0.3254-0.0000 ( 762 PWs) bands (ev): -7.5130 -7.5129 -2.0019 -2.0017 2.4663 2.4691 3.3530 3.3558 7.7756 7.7773 7.9099 7.9099 8.3730 8.3744 11.2052 11.2052 19.3458 19.3461 21.1592 21.1592 21.4425 21.4428 21.8353 21.8361 k = 0.0000 0.3175-0.0000 ( 758 PWs) bands (ev): -7.5965 -7.5965 -1.9044 -1.9041 2.4355 2.4384 3.3019 3.3049 7.8462 7.8462 7.9297 7.9315 8.5098 8.5114 11.2609 11.2609 19.2709 19.2712 21.0764 21.0764 21.3454 21.3456 21.7784 21.7794 k = 0.0000 0.3095-0.0000 ( 758 PWs) bands (ev): -7.6785 -7.6785 -1.8115 -1.8112 2.4077 2.4108 3.2568 3.2599 7.7835 7.7835 8.0850 8.0869 8.6476 8.6494 11.3153 11.3153 19.1959 19.1962 20.9953 20.9953 21.2453 21.2454 21.7176 21.7188 k = 0.0000 0.3016-0.0000 ( 758 PWs) bands (ev): -7.7589 -7.7589 -1.7237 -1.7234 2.3825 2.3858 3.2187 3.2220 7.7218 7.7218 8.2413 8.2435 8.7864 8.7884 11.3684 11.3684 19.1207 19.1210 20.9158 20.9159 21.1435 21.1436 21.6515 21.6528 k = 0.0000 0.2937-0.0000 ( 758 PWs) bands (ev): -7.8376 -7.8375 -1.6413 -1.6410 2.3591 2.3625 3.1890 3.1924 7.6611 7.6611 8.3985 8.4009 8.9262 8.9284 11.4201 11.4201 19.0452 19.0455 20.8381 20.8382 21.0410 21.0410 21.5792 21.5806 k = 0.0000 0.2857-0.0000 ( 758 PWs) bands (ev): -7.9145 -7.9145 -1.5648 -1.5644 2.3365 2.3400 3.1688 3.1723 7.6016 7.6016 8.5564 8.5590 9.0669 9.0693 11.4704 11.4704 18.9695 18.9698 20.7623 20.7623 20.9380 20.9381 21.5001 21.5016 k = 0.0000 0.2778-0.0000 ( 754 PWs) bands (ev): -7.9896 -7.9896 -1.4943 -1.4939 2.3137 2.3173 3.1593 3.1629 7.5433 7.5433 8.7147 8.7175 9.2085 9.2112 11.5192 11.5192 18.8933 18.8936 20.6882 20.6883 20.8352 20.8353 21.4138 21.4154 k = 0.0000 0.2698-0.0000 ( 754 PWs) bands (ev): -8.0629 -8.0629 -1.4302 -1.4298 2.2898 2.2934 3.1616 3.1652 7.4861 7.4861 8.8733 8.8763 9.3511 9.3540 11.5666 11.5666 18.8166 18.8168 20.6161 20.6161 20.7326 20.7328 21.3204 21.3221 k = 0.0000 0.2619-0.0000 ( 750 PWs) bands (ev): -8.1343 -8.1343 -1.3724 -1.3720 2.2641 2.2677 3.1764 3.1799 7.4301 7.4301 9.0318 9.0351 9.4946 9.4978 11.6124 11.6124 18.7392 18.7393 20.5458 20.5459 20.6305 20.6307 21.2201 21.2219 k = 0.0000 0.2540-0.0000 ( 750 PWs) bands (ev): -8.2038 -8.2038 -1.3211 -1.3206 2.2363 2.2397 3.2040 3.2073 7.3755 7.3755 9.1898 9.1934 9.6391 9.6425 11.6568 11.6568 18.6607 18.6609 20.4774 20.4776 20.5289 20.5292 21.1131 21.1149 k = 0.0000 0.2460-0.0000 ( 750 PWs) bands (ev): -8.2714 -8.2714 -1.2760 -1.2755 2.2062 2.2095 3.2441 3.2473 7.3222 7.3222 9.3472 9.3510 9.7845 9.7883 11.6996 11.6996 18.5810 18.5811 20.4106 20.4111 20.4283 20.4283 21.0001 21.0020 k = 0.0000 0.2381-0.0000 ( 754 PWs) bands (ev): -8.3370 -8.3370 -1.2370 -1.2366 2.1740 2.1771 3.2963 3.2993 7.2702 7.2702 9.5035 9.5076 9.9311 9.9351 11.7409 11.7409 18.4999 18.4999 20.3267 20.3276 20.3470 20.3474 20.8820 20.8839 k = 0.0000 0.2302-0.0000 ( 754 PWs) bands (ev): -8.4006 -8.4006 -1.2039 -1.2034 2.1402 2.1431 3.3598 3.3625 7.2196 7.2197 9.6584 9.6627 10.0787 10.0830 11.7806 11.7806 18.4169 18.4169 20.2274 20.2282 20.2846 20.2847 20.7596 20.7616 k = 0.0000 0.2222-0.0000 ( 758 PWs) bands (ev): -8.4623 -8.4622 -1.1762 -1.1757 2.1050 2.1077 3.4336 3.4362 7.1704 7.1704 9.8117 9.8162 10.2275 10.2320 11.8188 11.8188 18.3316 18.3316 20.1286 20.1294 20.2242 20.2242 20.6342 20.6362 k = 0.0000 0.2143-0.0000 ( 756 PWs) bands (ev): -8.5219 -8.5218 -1.1536 -1.1531 2.0691 2.0715 3.5169 3.5192 7.1228 7.1228 9.9628 9.9675 10.3775 10.3822 11.8555 11.8555 18.2438 18.2439 20.0306 20.0315 20.1658 20.1659 20.5070 20.5091 k = 0.0000 0.2063-0.0000 ( 756 PWs) bands (ev): -8.5794 -8.5794 -1.1357 -1.1352 2.0326 2.0348 3.6084 3.6106 7.0767 7.0767 10.1116 10.1164 10.5286 10.5335 11.8906 11.8906 18.1531 18.1532 19.9335 19.9344 20.1095 20.1096 20.3794 20.3815 k = 0.0000 0.1984-0.0000 ( 752 PWs) bands (ev): -8.6349 -8.6349 -1.1219 -1.1215 1.9961 1.9981 3.7073 3.7093 7.0321 7.0321 10.2576 10.2626 10.6808 10.6858 11.9242 11.9242 18.0590 18.0592 19.8374 19.8385 20.0553 20.0553 20.2526 20.2547 k = 0.0000 0.1905-0.0000 ( 752 PWs) bands (ev): -8.6883 -8.6883 -1.1120 -1.1116 1.9597 1.9616 3.8124 3.8143 6.9890 6.9890 10.4007 10.4058 10.8339 10.8389 11.9563 11.9563 17.9612 17.9615 19.7425 19.7436 20.0031 20.0031 20.1278 20.1300 k = 0.0000 0.1825-0.0000 ( 754 PWs) bands (ev): -8.7396 -8.7396 -1.1055 -1.1050 1.9238 1.9256 3.9229 3.9246 6.9475 6.9475 10.5407 10.5457 10.9876 10.9927 11.9869 11.9869 17.8595 17.8598 19.6488 19.6501 19.9529 19.9531 20.0063 20.0085 k = 0.0000 0.1746-0.0000 ( 756 PWs) bands (ev): -8.7889 -8.7888 -1.1018 -1.1014 1.8887 1.8903 4.0378 4.0393 6.9077 6.9077 10.6772 10.6822 11.1417 11.1468 12.0160 12.0160 17.7536 17.7540 19.5569 19.5583 19.8885 19.8911 19.9051 19.9054 k = 0.0000 0.1667-0.0000 ( 756 PWs) bands (ev): -8.8359 -8.8359 -1.1007 -1.1002 1.8544 1.8559 4.1561 4.1576 6.8694 6.8694 10.8103 10.8152 11.2959 11.3008 12.0436 12.0436 17.6435 17.6439 19.4670 19.4686 19.7763 19.7787 19.8591 19.8592 k = 0.0000 0.1587-0.0000 ( 754 PWs) bands (ev): -8.8809 -8.8809 -1.1016 -1.1012 1.8211 1.8225 4.2771 4.2785 6.8328 6.8328 10.9398 10.9445 11.4496 11.4545 12.0697 12.0697 17.5293 17.5298 19.3797 19.3814 19.6691 19.6716 19.8153 19.8153 k = 0.0000 0.1508-0.0000 ( 754 PWs) bands (ev): -8.9237 -8.9237 -1.1044 -1.1040 1.7890 1.7903 4.3999 4.4012 6.7978 6.7978 11.0654 11.0700 11.6025 11.6073 12.0944 12.0944 17.4114 17.4120 19.2953 19.2970 19.5676 19.5701 19.7736 19.7736 k = 0.0000 0.1429-0.0000 ( 754 PWs) bands (ev): -8.9644 -8.9644 -1.1085 -1.1082 1.7582 1.7594 4.5236 4.5248 6.7646 6.7646 11.1871 11.1915 11.7541 11.7587 12.1176 12.1177 17.2903 17.2909 19.2142 19.2160 19.4718 19.4743 19.7340 19.7340 k = 0.0000 0.1349-0.0000 ( 754 PWs) bands (ev): -9.0029 -9.0029 -1.1139 -1.1135 1.7287 1.7298 4.6474 4.6485 6.7330 6.7330 11.3047 11.3089 11.9037 11.9082 12.1395 12.1396 17.1667 17.1673 19.1368 19.1387 19.3817 19.3842 19.6966 19.6966 k = 0.0000 0.1270-0.0000 ( 754 PWs) bands (ev): -9.0393 -9.0393 -1.1201 -1.1198 1.7007 1.7016 4.7705 4.7715 6.7032 6.7032 11.4179 11.4219 12.0508 12.0552 12.1600 12.1602 17.0414 17.0420 19.0633 19.0652 19.2972 19.2997 19.6612 19.6612 k = 0.0000 0.1190-0.0000 ( 754 PWs) bands (ev): -9.0735 -9.0735 -1.1269 -1.1266 1.6741 1.6750 4.8921 4.8931 6.6751 6.6751 11.5265 11.5303 12.1775 12.1787 12.1968 12.1997 16.9154 16.9161 18.9939 18.9959 19.2184 19.2209 19.6280 19.6280 k = 0.0000 0.1111-0.0000 ( 754 PWs) bands (ev): -9.1055 -9.1055 -1.1342 -1.1339 1.6491 1.6499 5.0115 5.0123 6.6487 6.6487 11.6303 11.6339 12.1966 12.1967 12.3361 12.3398 16.7898 16.7905 18.9286 18.9305 19.1451 19.1475 19.5969 19.5969 k = 0.0000 0.1032-0.0000 ( 754 PWs) bands (ev): -9.1353 -9.1353 -1.1417 -1.1414 1.6256 1.6264 5.1275 5.1283 6.6241 6.6241 11.7291 11.7324 12.2131 12.2132 12.4723 12.4759 16.6659 16.6666 18.8673 18.8692 19.0774 19.0798 19.5679 19.5679 k = 0.0000 0.0952-0.0000 ( 754 PWs) bands (ev): -9.1630 -9.1630 -1.1492 -1.1490 1.6038 1.6045 5.2396 5.2404 6.6013 6.6013 11.8224 11.8255 12.2282 12.2283 12.6035 12.6069 16.5448 16.5455 18.8099 18.8117 19.0154 19.0177 19.5411 19.5411 k = 0.0000 0.0873-0.0000 ( 754 PWs) bands (ev): -9.1884 -9.1884 -1.1566 -1.1564 1.5836 1.5842 5.3469 5.3476 6.5802 6.5802 11.9100 11.9129 12.2421 12.2422 12.7290 12.7322 16.4277 16.4283 18.7564 18.7580 18.9591 18.9612 19.5164 19.5164 k = 0.0000 0.0794-0.0000 ( 754 PWs) bands (ev): -9.2116 -9.2116 -1.1638 -1.1636 1.5651 1.5657 5.4485 5.4491 6.5610 6.5610 11.9915 11.9943 12.2547 12.2548 12.8479 12.8508 16.3158 16.3164 18.7066 18.7081 18.9084 18.9104 19.4939 19.4939 k = 0.0000 0.0714-0.0000 ( 750 PWs) bands (ev): -9.2327 -9.2327 -1.1707 -1.1705 1.5483 1.5488 5.5437 5.5442 6.5436 6.5436 12.0668 12.0693 12.2661 12.2662 12.9594 12.9622 16.2102 16.2108 18.6606 18.6619 18.8633 18.8651 19.4735 19.4735 k = 0.0000 0.0635-0.0000 ( 748 PWs) bands (ev): -9.2515 -9.2515 -1.1771 -1.1769 1.5332 1.5337 5.6316 5.6320 6.5279 6.5279 12.1354 12.1376 12.2763 12.2764 13.0627 13.0652 16.1121 16.1126 18.6185 18.6196 18.8236 18.8252 19.4553 19.4553 k = 0.0000 0.0556-0.0000 ( 750 PWs) bands (ev): -9.2681 -9.2681 -1.1829 -1.1827 1.5199 1.5203 5.7113 5.7117 6.5141 6.5141 12.1966 12.1987 12.2853 12.2854 13.1567 13.1590 16.0225 16.0230 18.5806 18.5816 18.7893 18.7907 19.4392 19.4392 k = 0.0000 0.0476-0.0000 ( 750 PWs) bands (ev): -9.2826 -9.2826 -1.1881 -1.1879 1.5083 1.5086 5.7822 5.7825 6.5021 6.5021 12.2503 12.2521 12.2933 12.2934 13.2407 13.2426 15.9426 15.9430 18.5471 18.5479 18.7600 18.7612 19.4252 19.4252 k = 0.0000 0.0397-0.0000 ( 752 PWs) bands (ev): -9.2948 -9.2948 -1.1926 -1.1925 1.4985 1.4988 5.8435 5.8438 6.4920 6.4920 12.2923 12.2937 12.3042 12.3042 13.3136 13.3153 15.8732 15.8735 18.5182 18.5188 18.7356 18.7366 19.4134 19.4134 k = 0.0000 0.0317-0.0000 ( 757 PWs) bands (ev): -9.3048 -9.3048 -1.1963 -1.1962 1.4905 1.4907 5.8946 5.8948 6.4836 6.4836 12.3032 12.3034 12.3367 12.3376 13.3747 13.3760 15.8150 15.8154 18.4942 18.4947 18.7159 18.7167 19.4036 19.4036 k = 0.0000 0.0238-0.0000 ( 757 PWs) bands (ev): -9.3125 -9.3125 -1.1993 -1.1992 1.4842 1.4844 5.9350 5.9352 6.4772 6.4772 12.3077 12.3078 12.3664 12.3671 13.4231 13.4242 15.7691 15.7693 18.4753 18.4756 18.7008 18.7014 19.3961 19.3961 k = 0.0000 0.0159-0.0000 ( 757 PWs) bands (ev): -9.3181 -9.3181 -1.2014 -1.2014 1.4797 1.4798 5.9642 5.9643 6.4726 6.4726 12.3109 12.3109 12.3879 12.3884 13.4583 13.4590 15.7357 15.7359 18.4616 18.4618 18.6901 18.6905 19.3907 19.3907 k = 0.0000 0.0079-0.0000 ( 751 PWs) bands (ev): -9.3214 -9.3214 -1.2027 -1.2027 1.4771 1.4771 5.9819 5.9820 6.4698 6.4698 12.3128 12.3128 12.4010 12.4012 13.4799 13.4802 15.7156 15.7157 18.4535 18.4536 18.6838 18.6840 19.3875 19.3875 k = 0.0000 0.0000 0.0000 ( 751 PWs) bands (ev): -9.3225 -9.3225 -1.2031 -1.2031 1.4762 1.4762 5.9879 5.9879 6.4689 6.4689 12.3134 12.3134 12.4054 12.4054 13.4872 13.4872 15.7089 15.7089 18.4508 18.4508 18.6817 18.6817 19.3864 19.3864 k = 0.0000 0.0000 0.0000 ( 751 PWs) bands (ev): -9.3225 -9.3225 -1.2031 -1.2031 1.4762 1.4762 5.9879 5.9879 6.4689 6.4689 12.3134 12.3134 12.4054 12.4054 13.4872 13.4872 15.7089 15.7089 18.4508 18.4508 18.6817 18.6817 19.3864 19.3864 k = 0.0000 0.0000 0.0079 ( 751 PWs) bands (ev): -9.3217 -9.3217 -1.2127 -1.2127 1.4871 1.4871 5.9886 5.9886 6.4699 6.4699 12.3100 12.3100 12.4021 12.4021 13.4826 13.4826 15.7101 15.7101 18.4565 18.4565 18.6814 18.6814 19.3907 19.3907 k = 0.0000 0.0000 0.0159 ( 751 PWs) bands (ev): -9.3193 -9.3193 -1.2410 -1.2410 1.5194 1.5194 5.9909 5.9909 6.4727 6.4727 12.2997 12.2997 12.3923 12.3923 13.4690 13.4690 15.7134 15.7134 18.4733 18.4733 18.6803 18.6803 19.4034 19.4034 k = 0.0000 0.0000 0.0238 ( 743 PWs) bands (ev): -9.3152 -9.3152 -1.2867 -1.2867 1.5718 1.5718 5.9947 5.9947 6.4776 6.4776 12.2829 12.2829 12.3760 12.3760 13.4467 13.4467 15.7191 15.7191 18.5013 18.5013 18.6786 18.6786 19.4246 19.4246 k = 0.0000 0.0000 0.0318 ( 747 PWs) bands (ev): -9.3095 -9.3095 -1.3479 -1.3479 1.6423 1.6423 5.9999 5.9999 6.4843 6.4843 12.2594 12.2594 12.3530 12.3530 13.4158 13.4158 15.7268 15.7268 18.5398 18.5398 18.6760 18.6760 19.4539 19.4539 k = 0.0000 0.0000 0.0397 ( 743 PWs) bands (ev): -9.3023 -9.3023 -1.4223 -1.4223 1.7288 1.7288 6.0066 6.0066 6.4929 6.4929 12.2295 12.2295 12.3240 12.3240 13.3769 13.3769 15.7367 15.7367 18.5885 18.5885 18.6726 18.6726 19.4913 19.4913 k = 0.0000 0.0000 0.0477 ( 743 PWs) bands (ev): -9.2935 -9.2935 -1.5078 -1.5078 1.8289 1.8289 6.0148 6.0148 6.5034 6.5034 12.1935 12.1935 12.2886 12.2886 13.3305 13.3305 15.7485 15.7485 18.6467 18.6467 18.6682 18.6682 19.5364 19.5364 k = 0.0000 0.0000 0.0556 ( 743 PWs) bands (ev): -9.2831 -9.2831 -1.6023 -1.6023 1.9407 1.9407 6.0244 6.0244 6.5158 6.5158 12.1517 12.1517 12.2471 12.2471 13.2772 13.2772 15.7622 15.7622 18.6624 18.6624 18.7144 18.7144 19.5889 19.5889 k = 0.0000 0.0000 0.0636 ( 747 PWs) bands (ev): -9.2711 -9.2711 -1.7040 -1.7040 2.0622 2.0622 6.0355 6.0355 6.5301 6.5301 12.1043 12.1043 12.1998 12.1998 13.2176 13.2176 15.7776 15.7776 18.6556 18.6556 18.7901 18.7901 19.6486 19.6486 k = 0.0000 0.0000 0.0715 ( 747 PWs) bands (ev): -9.2577 -9.2577 -1.8112 -1.8112 2.1920 2.1920 6.0479 6.0479 6.5462 6.5462 12.0518 12.0518 12.1468 12.1468 13.1524 13.1524 15.7947 15.7947 18.6475 18.6475 18.8737 18.8737 19.7150 19.7150 k = 0.0000 0.0000 0.0795 ( 747 PWs) bands (ev): -9.2427 -9.2427 -1.9226 -1.9226 2.3287 2.3287 6.0617 6.0617 6.5641 6.5641 11.9944 11.9944 12.0883 12.0883 13.0823 13.0823 15.8134 15.8134 18.6381 18.6381 18.9644 18.9644 19.7876 19.7876 k = 0.0000 0.0000 0.0874 ( 751 PWs) bands (ev): -9.2263 -9.2263 -2.0370 -2.0370 2.4712 2.4712 6.0769 6.0769 6.5839 6.5839 11.9325 11.9325 12.0245 12.0245 13.0077 13.0077 15.8334 15.8334 18.6272 18.6272 19.0615 19.0615 19.8412 19.8412 k = 0.0000 0.0000 0.0954 ( 743 PWs) bands (ev): -9.2084 -9.2084 -2.1537 -2.1537 2.6187 2.6187 6.0933 6.0933 6.6055 6.6055 11.8667 11.8667 11.9556 11.9556 12.9296 12.9296 15.8547 15.8547 18.6149 18.6149 19.1646 19.1646 19.8840 19.8840 k = 0.0000 0.0000 0.1033 ( 755 PWs) bands (ev): -9.1893 -9.1893 -2.2718 -2.2718 2.7702 2.7702 6.1109 6.1109 6.6288 6.6288 11.7969 11.7969 11.8819 11.8819 12.8480 12.8480 15.8772 15.8772 18.6010 18.6010 19.2726 19.2726 19.9309 19.9309 k = 0.0000 0.0000 0.1113 ( 755 PWs) bands (ev): -9.1687 -9.1687 -2.3907 -2.3907 2.9252 2.9252 6.1298 6.1298 6.6538 6.6538 11.7240 11.7240 11.8035 11.8035 12.7642 12.7642 15.9006 15.9006 18.5857 18.5857 19.3854 19.3854 19.9822 19.9822 k = 0.0000 0.0000 0.1192 ( 755 PWs) bands (ev): -9.1468 -9.1468 -2.5098 -2.5098 3.0832 3.0832 6.1498 6.1498 6.6806 6.6806 11.6483 11.6483 11.7206 11.7206 12.6783 12.6783 15.9250 15.9250 18.5690 18.5690 19.5022 19.5022 20.0379 20.0379 k = 0.0000 0.0000 0.1272 ( 755 PWs) bands (ev): -9.1237 -9.1237 -2.6287 -2.6287 3.2437 3.2437 6.1709 6.1709 6.7090 6.7090 11.5699 11.5699 11.6335 11.6335 12.5908 12.5908 15.9502 15.9502 18.5509 18.5509 19.6226 19.6226 20.0978 20.0978 k = 0.0000 0.0000 0.1351 ( 755 PWs) bands (ev): -9.0994 -9.0994 -2.7470 -2.7470 3.4063 3.4063 6.1931 6.1931 6.7391 6.7391 11.4893 11.4893 11.5422 11.5422 12.5023 12.5023 15.9760 15.9760 18.5315 18.5315 19.7461 19.7461 20.1621 20.1621 k = 0.0000 0.0000 0.1431 ( 754 PWs) bands (ev): -9.0740 -9.0740 -2.8643 -2.8643 3.5708 3.5708 6.2162 6.2162 6.7707 6.7707 11.4068 11.4068 11.4472 11.4472 12.4131 12.4131 16.0025 16.0025 18.5109 18.5109 19.8722 19.8722 20.2307 20.2307 k = 0.0000 0.0000 0.1510 ( 754 PWs) bands (ev): -9.0475 -9.0475 -2.9803 -2.9803 3.7368 3.7368 6.2401 6.2401 6.8038 6.8038 11.3226 11.3226 11.3485 11.3485 12.3236 12.3236 16.0294 16.0294 18.4891 18.4891 20.0005 20.0005 20.3034 20.3034 k = 0.0000 0.0000 0.1590 ( 758 PWs) bands (ev): -9.0201 -9.0201 -3.0948 -3.0948 3.9040 3.9040 6.2649 6.2649 6.8384 6.8384 11.2361 11.2361 11.2473 11.2473 12.2342 12.2342 16.0567 16.0567 18.4663 18.4663 20.1305 20.1305 20.3803 20.3803 k = 0.0000 0.0000 0.1669 ( 758 PWs) bands (ev): -8.9919 -8.9919 -3.2073 -3.2073 4.0723 4.0723 6.2903 6.2903 6.8744 6.8744 11.1377 11.1377 11.1536 11.1536 12.1453 12.1453 16.0843 16.0843 18.4426 18.4426 20.2618 20.2618 20.4612 20.4612 k = 0.0000 0.0000 0.1749 ( 758 PWs) bands (ev): -8.9629 -8.9629 -3.3178 -3.3178 4.2415 4.2415 6.3164 6.3164 6.9116 6.9116 11.0293 11.0293 11.0662 11.0662 12.0572 12.0572 16.1121 16.1121 18.4181 18.4181 20.3941 20.3941 20.5462 20.5462 k = 0.0000 0.0000 0.1828 ( 758 PWs) bands (ev): -8.9332 -8.9332 -3.4259 -3.4259 4.4113 4.4113 6.3430 6.3430 6.9501 6.9501 10.9171 10.9171 10.9791 10.9791 11.9703 11.9703 16.1400 16.1400 18.3930 18.3930 20.5269 20.5269 20.6349 20.6349 k = 0.0000 0.0000 0.1908 ( 758 PWs) bands (ev): -8.9030 -8.9030 -3.5315 -3.5315 4.5816 4.5816 6.3699 6.3699 6.9897 6.9897 10.8018 10.8018 10.8922 10.8922 11.8848 11.8848 16.1680 16.1680 18.3673 18.3673 20.6597 20.6597 20.7274 20.7274 k = 0.0000 0.0000 0.1987 ( 758 PWs) bands (ev): -8.8724 -8.8724 -3.6342 -3.6342 4.7522 4.7522 6.3971 6.3971 7.0302 7.0302 10.6835 10.6835 10.8056 10.8056 11.8010 11.8010 16.1958 16.1958 18.3412 18.3412 20.7923 20.7923 20.8234 20.8234 k = 0.0000 0.0000 0.2067 ( 758 PWs) bands (ev): -8.8415 -8.8415 -3.7339 -3.7339 4.9230 4.9230 6.4244 6.4244 7.0717 7.0717 10.5625 10.5625 10.7196 10.7196 11.7192 11.7192 16.2235 16.2235 18.3149 18.3149 20.9225 20.9225 20.9244 20.9244 k = 0.0000 0.0000 0.2146 ( 758 PWs) bands (ev): -8.8105 -8.8105 -3.8303 -3.8303 5.0939 5.0939 6.4516 6.4516 7.1138 7.1138 10.4389 10.4389 10.6346 10.6346 11.6398 11.6398 16.2508 16.2508 18.2885 18.2885 21.0253 21.0253 21.0548 21.0548 k = 0.0000 0.0000 0.2226 ( 750 PWs) bands (ev): -8.7796 -8.7796 -3.9231 -3.9231 5.2646 5.2646 6.4789 6.4789 7.1566 7.1566 10.3128 10.3128 10.5509 10.5509 11.5629 11.5629 16.2780 16.2780 18.2621 18.2621 21.1308 21.1308 21.1840 21.1840 k = 0.0000 0.0000 0.2305 ( 750 PWs) bands (ev): -8.7489 -8.7489 -4.0123 -4.0123 5.4351 5.4351 6.5056 6.5056 7.1997 7.1997 10.1843 10.1843 10.4687 10.4687 11.4889 11.4889 16.3044 16.3044 18.2360 18.2360 21.2390 21.2390 21.3108 21.3108 k = 0.0000 0.0000 0.2385 ( 750 PWs) bands (ev): -8.7186 -8.7186 -4.0975 -4.0975 5.6051 5.6051 6.5319 6.5319 7.2428 7.2428 10.0536 10.0536 10.3883 10.3883 11.4180 11.4180 16.3302 16.3302 18.2103 18.2103 21.3494 21.3494 21.4350 21.4350 k = 0.0000 0.0000 0.2464 ( 750 PWs) bands (ev): -8.6889 -8.6889 -4.1784 -4.1784 5.7747 5.7747 6.5575 6.5575 7.2859 7.2859 9.9207 9.9207 10.3103 10.3103 11.3506 11.3506 16.3553 16.3553 18.1851 18.1851 21.4617 21.4617 21.5559 21.5559 k = 0.0000 0.0000 0.2544 ( 750 PWs) bands (ev): -8.6601 -8.6601 -4.2549 -4.2549 5.9435 5.9435 6.5823 6.5823 7.3285 7.3285 9.7859 9.7859 10.2349 10.2349 11.2867 11.2867 16.3794 16.3794 18.1606 18.1606 21.5753 21.5753 21.6729 21.6729 k = 0.0000 0.0000 0.2623 ( 746 PWs) bands (ev): -8.6324 -8.6324 -4.3265 -4.3265 6.1115 6.1115 6.6060 6.6060 7.3704 7.3704 9.6493 9.6493 10.1626 10.1626 11.2268 11.2268 16.4026 16.4026 18.1371 18.1371 21.6897 21.6897 21.7854 21.7854 k = 0.0000 0.0000 0.2702 ( 746 PWs) bands (ev): -8.6060 -8.6060 -4.3932 -4.3932 6.2784 6.2784 6.6285 6.6285 7.4112 7.4112 9.5111 9.5111 10.0937 10.0937 11.1711 11.1711 16.4244 16.4244 18.1147 18.1147 21.8040 21.8040 21.8924 21.8924 k = 0.0000 0.0000 0.2782 ( 758 PWs) bands (ev): -8.5811 -8.5811 -4.4546 -4.4546 6.4439 6.4439 6.6495 6.6495 7.4503 7.4503 9.3713 9.3713 10.0288 10.0288 11.1197 11.1197 16.4448 16.4448 18.0935 18.0935 21.9174 21.9174 21.9933 21.9933 k = 0.0000 0.0000 0.2861 ( 758 PWs) bands (ev): -8.5580 -8.5580 -4.5104 -4.5104 6.6078 6.6078 6.6691 6.6691 7.4876 7.4876 9.2306 9.2306 9.9685 9.9685 11.0731 11.0731 16.4638 16.4638 18.0740 18.0740 22.0286 22.0286 22.0872 22.0872 k = 0.0000 0.0000 0.2941 ( 758 PWs) bands (ev): -8.5369 -8.5369 -4.5604 -4.5604 6.6864 6.6864 6.7701 6.7701 7.5223 7.5223 9.0892 9.0892 9.9133 9.9133 11.0313 11.0313 16.4810 16.4810 18.0561 18.0561 22.1362 22.1362 22.1731 22.1731 k = 0.0000 0.0000 0.3020 ( 758 PWs) bands (ev): -8.5181 -8.5181 -4.6043 -4.6043 6.7022 6.7022 6.9292 6.9292 7.5540 7.5540 8.9478 8.9478 9.8637 9.8637 10.9947 10.9947 16.4964 16.4964 18.0402 18.0402 22.2382 22.2382 22.2503 22.2503 k = 0.0000 0.0000 0.3100 ( 758 PWs) bands (ev): -8.5017 -8.5017 -4.6419 -4.6419 6.7158 6.7158 7.0848 7.0848 7.5822 7.5822 8.8074 8.8074 9.8204 9.8204 10.9633 10.9633 16.5097 16.5097 18.0263 18.0263 22.3175 22.3175 22.3326 22.3326 k = 0.0000 0.0000 0.3179 ( 750 PWs) bands (ev): -8.4880 -8.4880 -4.6730 -4.6730 6.7272 6.7272 7.2351 7.2351 7.6062 7.6062 8.6697 8.6697 9.7840 9.7840 10.9373 10.9373 16.5210 16.5210 18.0147 18.0147 22.3742 22.3742 22.4165 22.4165 k = 0.0000 0.0000 0.3259 ( 750 PWs) bands (ev): -8.4772 -8.4772 -4.6974 -4.6974 6.7362 6.7362 7.3762 7.3762 7.6255 7.6255 8.5382 8.5382 9.7550 9.7550 10.9170 10.9170 16.5298 16.5298 18.0055 18.0055 22.4192 22.4192 22.4867 22.4867 k = 0.0000 0.0000 0.3338 ( 750 PWs) bands (ev): -8.4693 -8.4693 -4.7149 -4.7149 6.7427 6.7427 7.5014 7.5014 7.6397 7.6397 8.4199 8.4199 9.7338 9.7338 10.9024 10.9024 16.5362 16.5362 17.9989 17.9989 22.4520 22.4520 22.5401 22.5401 k = 0.0000 0.0000 0.3418 ( 750 PWs) bands (ev): -8.4646 -8.4646 -4.7255 -4.7255 6.7466 6.7466 7.5954 7.5954 7.6485 7.6485 8.3299 8.3299 9.7210 9.7210 10.8936 10.8936 16.5401 16.5401 17.9948 17.9948 22.4719 22.4719 22.5736 22.5736 k = 0.0000 0.0000 0.3497 ( 750 PWs) bands (ev): -8.4630 -8.4630 -4.7290 -4.7290 6.7479 6.7479 7.6321 7.6321 7.6518 7.6518 8.2943 8.2943 9.7167 9.7167 10.8907 10.8907 16.5414 16.5414 17.9935 17.9935 22.4786 22.4786 22.5850 22.5850 k = 0.0000 0.0000 0.3497 ( 750 PWs) bands (ev): -8.4630 -8.4630 -4.7290 -4.7290 6.7479 6.7479 7.6321 7.6321 7.6518 7.6518 8.2943 8.2943 9.7167 9.7167 10.8907 10.8907 16.5414 16.5414 17.9935 17.9935 22.4786 22.4786 22.5850 22.5850 k = 0.0079-0.0000 0.3497 ( 750 PWs) bands (ev): -8.4621 -8.4621 -4.7279 -4.7279 6.7484 6.7484 7.5831 7.5892 7.6809 7.6876 8.2993 8.2999 9.7142 9.7143 10.8916 10.8916 16.5446 16.5448 17.9982 17.9984 22.4771 22.4771 22.5898 22.5898 k = 0.0159-0.0000 0.3497 ( 750 PWs) bands (ev): -8.4593 -8.4593 -4.7247 -4.7246 6.7499 6.7499 7.5164 7.5222 7.7079 7.7148 8.3145 8.3155 9.7071 9.7073 10.8942 10.8942 16.5544 16.5548 18.0127 18.0131 22.4727 22.4727 22.6042 22.6042 k = 0.0238-0.0000 0.3497 ( 750 PWs) bands (ev): -8.4547 -8.4547 -4.7192 -4.7192 6.7523 6.7524 7.4383 7.4436 7.7218 7.7287 8.3381 8.3393 9.6957 9.6960 10.8986 10.8986 16.5706 16.5711 18.0368 18.0374 22.4654 22.4654 22.6281 22.6282 k = 0.0317-0.0000 0.3497 ( 744 PWs) bands (ev): -8.4482 -8.4482 -4.7115 -4.7115 6.7559 6.7559 7.3503 7.3552 7.7234 7.7301 8.3677 8.3691 9.6806 9.6810 10.9048 10.9048 16.5929 16.5936 18.0704 18.0711 22.4552 22.4552 22.6616 22.6617 k = 0.0397-0.0000 0.3497 ( 744 PWs) bands (ev): -8.4399 -8.4398 -4.7016 -4.7016 6.7603 6.7603 7.2535 7.2581 7.7136 7.7199 8.4010 8.4023 9.6624 9.6629 10.9128 10.9128 16.6207 16.6216 18.1131 18.1141 22.4420 22.4420 22.7044 22.7045 k = 0.0476-0.0000 0.3497 ( 740 PWs) bands (ev): -8.4297 -8.4297 -4.6895 -4.6895 6.7658 6.7658 7.1490 7.1532 7.6934 7.6994 8.4357 8.4370 9.6422 9.6427 10.9224 10.9225 16.6537 16.6547 18.1649 18.1660 22.4261 22.4261 22.7566 22.7567 k = 0.0556-0.0000 0.3497 ( 740 PWs) bands (ev): -8.4177 -8.4177 -4.6753 -4.6753 6.7721 6.7722 7.0375 7.0414 7.6634 7.6690 8.4704 8.4715 9.6208 9.6213 10.9339 10.9339 16.6911 16.6922 18.2253 18.2265 22.4071 22.4071 22.8100 22.8105 k = 0.0635-0.0000 0.3497 ( 740 PWs) bands (ev): -8.4039 -8.4039 -4.6588 -4.6588 6.7794 6.7795 6.9197 6.9233 7.6240 7.6293 8.5037 8.5048 9.5994 9.6000 10.9470 10.9470 16.7325 16.7337 18.2939 18.2952 22.3853 22.3853 22.7698 22.7700 k = 0.0714-0.0000 0.3497 ( 742 PWs) bands (ev): -8.3883 -8.3883 -4.6402 -4.6402 6.7860 6.7878 6.7977 6.7994 7.5754 7.5804 8.5350 8.5360 9.5791 9.5796 10.9619 10.9619 16.7771 16.7784 18.3703 18.3718 22.3606 22.3606 22.7247 22.7249 k = 0.0794-0.0000 0.3497 ( 752 PWs) bands (ev): -8.3709 -8.3708 -4.6194 -4.6194 6.6667 6.6702 6.7970 6.7972 7.5176 7.5222 8.5637 8.5646 9.5606 9.5611 10.9784 10.9784 16.8242 16.8256 18.4540 18.4555 22.3331 22.3331 22.6751 22.6754 k = 0.0873-0.0000 0.3497 ( 756 PWs) bands (ev): -8.3517 -8.3516 -4.5964 -4.5964 6.5330 6.5362 6.8071 6.8072 7.4508 7.4551 8.5896 8.5905 9.5451 9.5455 10.9967 10.9967 16.8734 16.8749 18.5444 18.5461 22.3027 22.3027 22.6219 22.6222 k = 0.0952-0.0000 0.3497 ( 756 PWs) bands (ev): -8.3307 -8.3306 -4.5712 -4.5712 6.3950 6.3979 6.8181 6.8181 7.3751 7.3791 8.6126 8.6134 9.5331 9.5334 11.0166 11.0166 16.9241 16.9256 18.6411 18.6428 22.2695 22.2695 22.5652 22.5655 k = 0.1032-0.0000 0.3497 ( 756 PWs) bands (ev): -8.3079 -8.3079 -4.5438 -4.5438 6.2529 6.2557 6.8299 6.8300 7.2906 7.2944 8.6328 8.6336 9.5250 9.5253 11.0381 11.0381 16.9757 16.9772 18.7432 18.7450 22.2337 22.2337 22.5053 22.5056 k = 0.1111-0.0000 0.3497 ( 756 PWs) bands (ev): -8.2834 -8.2834 -4.5143 -4.5143 6.1073 6.1099 6.8426 6.8427 7.1976 7.2011 8.6504 8.6512 9.5211 9.5213 11.0613 11.0613 17.0277 17.0292 18.8503 18.8520 22.1952 22.1952 22.4426 22.4429 k = 0.1190-0.0000 0.3497 ( 756 PWs) bands (ev): -8.2572 -8.2572 -4.4826 -4.4825 5.9584 5.9609 6.8562 6.8562 7.0964 7.0998 8.6656 8.6664 9.5214 9.5215 11.0861 11.0861 17.0797 17.0812 18.9615 18.9633 22.1540 22.1540 22.3773 22.3777 k = 0.1270-0.0000 0.3497 ( 760 PWs) bands (ev): -8.2293 -8.2293 -4.4487 -4.4486 5.8066 5.8090 6.8703 6.8705 6.9877 6.9907 8.6788 8.6796 9.5257 9.5257 11.1124 11.1124 17.1312 17.1327 19.0763 19.0780 22.1102 22.1102 22.3098 22.3101 k = 0.1349-0.0000 0.3497 ( 760 PWs) bands (ev): -8.1997 -8.1997 -4.4126 -4.4126 5.6523 5.6546 6.8705 6.8745 6.8856 6.8867 8.6904 8.6911 9.5337 9.5338 11.1403 11.1403 17.1820 17.1835 19.1939 19.1956 22.0639 22.0639 22.2405 22.2408 k = 0.1429-0.0000 0.3497 ( 760 PWs) bands (ev): -8.1685 -8.1685 -4.3744 -4.3743 5.4957 5.4979 6.7489 6.7518 6.9014 6.9015 8.7005 8.7013 9.5451 9.5453 11.1697 11.1697 17.2319 17.2333 19.3137 19.3154 22.0151 22.0151 22.1697 22.1701 k = 0.1508-0.0000 0.3497 ( 760 PWs) bands (ev): -8.1356 -8.1356 -4.3340 -4.3339 5.3372 5.3394 6.6204 6.6231 6.9180 6.9180 8.7097 8.7104 9.5597 9.5599 11.2006 11.2006 17.2804 17.2818 19.4351 19.4367 21.9638 21.9639 22.0978 22.0981 k = 0.1587-0.0000 0.3497 ( 760 PWs) bands (ev): -8.1012 -8.1011 -4.2914 -4.2914 5.1771 5.1792 6.4865 6.4890 6.9352 6.9352 8.7180 8.7188 9.5770 9.5773 11.2329 11.2329 17.3275 17.3288 19.5573 19.5589 21.9103 21.9103 22.0250 22.0253 k = 0.1667-0.0000 0.3497 ( 762 PWs) bands (ev): -8.0652 -8.0651 -4.2468 -4.2467 5.0157 5.0177 6.3477 6.3501 6.9530 6.9530 8.7259 8.7266 9.5967 9.5970 11.2666 11.2666 17.3728 17.3740 19.6798 19.6814 21.8543 21.8543 21.9518 21.9521 k = 0.1746-0.0000 0.3497 ( 766 PWs) bands (ev): -8.0276 -8.0276 -4.1999 -4.1999 4.8532 4.8552 6.2046 6.2069 6.9714 6.9714 8.7332 8.7340 9.6185 9.6189 11.3016 11.3016 17.4163 17.4175 19.8021 19.8036 21.7962 21.7962 21.8784 21.8787 k = 0.1825-0.0000 0.3497 ( 770 PWs) bands (ev): -7.9886 -7.9886 -4.1509 -4.1509 4.6898 4.6917 6.0577 6.0599 6.9904 6.9904 8.7405 8.7412 9.6420 9.6425 11.3380 11.3380 17.4577 17.4588 19.9235 19.9249 21.7360 21.7361 21.8052 21.8055 k = 0.1905-0.0000 0.3497 ( 770 PWs) bands (ev): -7.9482 -7.9481 -4.0998 -4.0997 4.5260 4.5279 5.9076 5.9097 7.0099 7.0100 8.7477 8.7484 9.6672 9.6677 11.3757 11.3757 17.4970 17.4981 20.0436 20.0450 21.6739 21.6739 21.7326 21.7328 k = 0.1984-0.0000 0.3497 ( 774 PWs) bands (ev): -7.9063 -7.9063 -4.0466 -4.0465 4.3619 4.3637 5.7546 5.7566 7.0300 7.0300 8.7548 8.7555 9.6937 9.6943 11.4146 11.4146 17.5339 17.5349 20.1619 20.1632 21.6098 21.6099 21.6608 21.6610 k = 0.2063-0.0000 0.3497 ( 774 PWs) bands (ev): -7.8631 -7.8630 -3.9912 -3.9911 4.1978 4.1995 5.5992 5.6011 7.0505 7.0505 8.7620 8.7627 9.7214 9.7220 11.4546 11.4546 17.5684 17.5693 20.2781 20.2793 21.5440 21.5441 21.5903 21.5905 k = 0.2143-0.0000 0.3497 ( 774 PWs) bands (ev): -7.8186 -7.8185 -3.9337 -3.9336 4.0338 4.0355 5.4418 5.4436 7.0713 7.0713 8.7693 8.7700 9.7502 9.7507 11.4957 11.4957 17.6003 17.6012 20.3917 20.3929 21.4765 21.4766 21.5214 21.5215 k = 0.2222-0.0000 0.3497 ( 770 PWs) bands (ev): -7.7728 -7.7728 -3.8741 -3.8740 3.8702 3.8719 5.2828 5.2845 7.0926 7.0926 8.7767 8.7774 9.7799 9.7804 11.5379 11.5379 17.6295 17.6303 20.5025 20.5037 21.4075 21.4076 21.4543 21.4544 k = 0.2302-0.0000 0.3497 ( 770 PWs) bands (ev): -7.7258 -7.7258 -3.8124 -3.8123 3.7072 3.7089 5.1223 5.1240 7.1141 7.1141 8.7842 8.7848 9.8102 9.8108 11.5810 11.5810 17.6558 17.6566 20.6102 20.6113 21.3370 21.3371 21.3894 21.3895 k = 0.2381-0.0000 0.3497 ( 770 PWs) bands (ev): -7.6778 -7.6777 -3.7486 -3.7485 3.5450 3.5466 4.9609 4.9625 7.1359 7.1359 8.7917 8.7923 9.8413 9.8419 11.6250 11.6250 17.6792 17.6799 20.7145 20.7155 21.2654 21.2655 21.3270 21.3270 k = 0.2460-0.0000 0.3497 ( 770 PWs) bands (ev): -7.6287 -7.6286 -3.6827 -3.6826 3.3838 3.3854 4.7987 4.8002 7.1579 7.1579 8.7993 8.7999 9.8728 9.8735 11.6699 11.6699 17.6996 17.7002 20.8153 20.8162 21.1926 21.1927 21.2674 21.2674 k = 0.2540-0.0000 0.3497 ( 764 PWs) bands (ev): -7.5786 -7.5786 -3.6147 -3.6146 3.2239 3.2254 4.6360 4.6375 7.1800 7.1800 8.8071 8.8077 9.9049 9.9055 11.7155 11.7155 17.7169 17.7175 20.9122 20.9131 21.1189 21.1190 21.2110 21.2111 k = 0.2619-0.0000 0.3497 ( 764 PWs) bands (ev): -7.5276 -7.5276 -3.5447 -3.5446 3.0652 3.0668 4.4730 4.4745 7.2022 7.2023 8.8148 8.8154 9.9373 9.9379 11.7617 11.7617 17.7309 17.7314 21.0045 21.0053 21.0446 21.0446 21.1585 21.1586 k = 0.2698-0.0000 0.3497 ( 764 PWs) bands (ev): -7.4759 -7.4758 -3.4726 -3.4725 2.9081 2.9097 4.3100 4.3114 7.2245 7.2245 8.8226 8.8232 9.9699 9.9705 11.8085 11.8085 17.7416 17.7421 20.9690 20.9691 21.0830 21.0836 21.1201 21.1202 k = 0.2778-0.0000 0.3497 ( 766 PWs) bands (ev): -7.4234 -7.4234 -3.3986 -3.3984 2.7528 2.7543 4.1472 4.1486 7.2467 7.2467 8.8304 8.8310 10.0028 10.0033 11.8557 11.8557 17.7491 17.7494 20.8934 20.8935 21.0573 21.0575 21.1852 21.1856 k = 0.2857-0.0000 0.3497 ( 762 PWs) bands (ev): -7.3703 -7.3703 -3.3225 -3.3223 2.5993 2.6008 3.9849 3.9862 7.2689 7.2689 8.8382 8.8387 10.0357 10.0363 11.9033 11.9033 17.7532 17.7535 20.8175 20.8176 21.0160 21.0162 21.2659 21.2663 k = 0.2937-0.0000 0.3497 ( 758 PWs) bands (ev): -7.3168 -7.3167 -3.2444 -3.2442 2.4479 2.4494 3.8231 3.8245 7.2910 7.2910 8.8460 8.8465 10.0687 10.0693 11.9512 11.9512 17.7542 17.7544 20.7415 20.7416 20.9776 20.9779 21.3435 21.3439 k = 0.3016-0.0000 0.3497 ( 758 PWs) bands (ev): -7.2628 -7.2628 -3.1643 -3.1641 2.2987 2.3002 3.6622 3.6635 7.3128 7.3128 8.8537 8.8542 10.1016 10.1022 11.9992 11.9992 17.7519 17.7521 20.6656 20.6657 20.9429 20.9432 21.4176 21.4179 k = 0.3095-0.0000 0.3497 ( 758 PWs) bands (ev): -7.2087 -7.2086 -3.0823 -3.0821 2.1519 2.1534 3.5022 3.5035 7.3345 7.3345 8.8613 8.8618 10.1343 10.1349 12.0472 12.0472 17.7465 17.7467 20.5901 20.5901 20.9120 20.9123 21.4878 21.4881 k = 0.3175-0.0000 0.3497 ( 758 PWs) bands (ev): -7.1544 -7.1543 -2.9983 -2.9981 2.0076 2.0091 3.3435 3.3448 7.3558 7.3558 8.8688 8.8693 10.1668 10.1673 12.0950 12.0950 17.7382 17.7383 20.5150 20.5150 20.8849 20.8853 21.5543 21.5546 k = 0.3254-0.0000 0.3497 ( 758 PWs) bands (ev): -7.1001 -7.1001 -2.9124 -2.9122 1.8660 1.8675 3.1862 3.1874 7.3767 7.3767 8.8762 8.8767 10.1989 10.1994 12.1427 12.1427 17.7272 17.7273 20.4407 20.4407 20.8616 20.8620 21.6172 21.6173 k = 0.3333-0.0000 0.3497 ( 758 PWs) bands (ev): -7.0461 -7.0460 -2.8246 -2.8244 1.7272 1.7286 3.0305 3.0317 7.3972 7.3972 8.8835 8.8839 10.2306 10.2311 12.1899 12.1899 17.7137 17.7137 20.3673 20.3673 20.8419 20.8423 21.6764 21.6765 k = 0.3413-0.0000 0.3497 ( 758 PWs) bands (ev): -6.9924 -6.9923 -2.7350 -2.7348 1.5912 1.5927 2.8766 2.8779 7.4173 7.4173 8.8906 8.8910 10.2618 10.2623 12.2366 12.2366 17.6978 17.6979 20.2951 20.2951 20.8257 20.8261 21.7320 21.7320 k = 0.3492-0.0000 0.3497 ( 758 PWs) bands (ev): -6.9392 -6.9392 -2.6436 -2.6434 1.4583 1.4598 2.7249 2.7261 7.4368 7.4368 8.8975 8.8978 10.2923 10.2928 12.2826 12.2826 17.6800 17.6801 20.2243 20.2243 20.8127 20.8131 21.7841 21.7841 k = 0.3571-0.0000 0.3497 ( 762 PWs) bands (ev): -6.8868 -6.8867 -2.5504 -2.5501 1.3284 1.3300 2.5754 2.5767 7.4557 7.4557 8.9041 8.9045 10.3221 10.3225 12.3277 12.3277 17.6605 17.6606 20.1551 20.1551 20.8027 20.8031 21.8327 21.8327 k = 0.3651-0.0000 0.3497 ( 762 PWs) bands (ev): -6.8353 -6.8352 -2.4554 -2.4551 1.2018 1.2033 2.4287 2.4299 7.4739 7.4739 8.9105 8.9109 10.3510 10.3515 12.3718 12.3718 17.6397 17.6398 20.0878 20.0878 20.7954 20.7959 21.8780 21.8781 k = 0.3730-0.0000 0.3497 ( 762 PWs) bands (ev): -6.7849 -6.7848 -2.3587 -2.3584 1.0783 1.0799 2.2849 2.2861 7.4915 7.4915 8.9167 8.9170 10.3791 10.3795 12.4148 12.4148 17.6179 17.6180 20.0227 20.0227 20.7906 20.7911 21.9201 21.9202 k = 0.3810-0.0000 0.3497 ( 762 PWs) bands (ev): -6.7358 -6.7358 -2.2604 -2.2601 0.9580 0.9596 2.1446 2.1458 7.5083 7.5083 8.9226 8.9229 10.4061 10.4065 12.4563 12.4563 17.5953 17.5954 19.9599 19.9599 20.7880 20.7884 21.9591 21.9592 k = 0.3889-0.0000 0.3497 ( 762 PWs) bands (ev): -6.6883 -6.6883 -2.1606 -2.1602 0.8408 0.8424 2.0080 2.0092 7.5243 7.5243 8.9283 8.9285 10.4319 10.4323 12.4963 12.4963 17.5724 17.5726 19.8997 19.8997 20.7872 20.7876 21.9950 21.9951 k = 0.3968-0.0000 0.3497 ( 766 PWs) bands (ev): -6.6427 -6.6426 -2.0592 -2.0588 0.7266 0.7281 1.8756 1.8768 7.5394 7.5394 8.9336 8.9338 10.4565 10.4569 12.5346 12.5346 17.5495 17.5497 19.8423 19.8423 20.7880 20.7884 22.0279 22.0280 k = 0.4048-0.0000 0.3497 ( 764 PWs) bands (ev): -6.5990 -6.5990 -1.9563 -1.9560 0.6152 0.6168 1.7483 1.7494 7.5536 7.5536 8.9385 8.9388 10.4798 10.4801 12.5710 12.5710 17.5269 17.5270 19.7881 19.7881 20.7901 20.7905 22.0580 22.0581 k = 0.4127-0.0000 0.3497 ( 764 PWs) bands (ev): -6.5577 -6.5577 -1.8522 -1.8518 0.5063 0.5079 1.6265 1.6276 7.5669 7.5669 8.9432 8.9434 10.5017 10.5020 12.6053 12.6053 17.5049 17.5050 19.7371 19.7371 20.7932 20.7936 22.0852 22.0854 k = 0.4206-0.0000 0.3497 ( 764 PWs) bands (ev): -6.5189 -6.5188 -1.7468 -1.7463 0.3997 0.4013 1.5110 1.5121 7.5791 7.5791 8.9474 8.9477 10.5220 10.5222 12.6373 12.6373 17.4837 17.4839 19.6897 19.6897 20.7970 20.7973 22.1098 22.1100 k = 0.4286-0.0000 0.3497 ( 764 PWs) bands (ev): -6.4828 -6.4828 -1.6403 -1.6398 0.2949 0.2964 1.4026 1.4037 7.5904 7.5904 8.9514 8.9515 10.5407 10.5409 12.6669 12.6669 17.4637 17.4639 19.6461 19.6461 20.8013 20.8016 22.1318 22.1320 k = 0.4365-0.0000 0.3497 ( 764 PWs) bands (ev): -6.4498 -6.4498 -1.5328 -1.5323 0.1914 0.1929 1.3023 1.3033 7.6005 7.6005 8.9549 8.9551 10.5576 10.5579 12.6939 12.6939 17.4452 17.4453 19.6064 19.6064 20.8057 20.8060 22.1512 22.1514 k = 0.4444-0.0000 0.3497 ( 768 PWs) bands (ev): -6.4201 -6.4201 -1.4246 -1.4240 0.0886 0.0902 1.2111 1.2120 7.6095 7.6095 8.9579 8.9581 10.5728 10.5729 12.7182 12.7182 17.4282 17.4283 19.5709 19.5709 20.8101 20.8104 22.1681 22.1682 k = 0.4524-0.0000 0.3497 ( 768 PWs) bands (ev): -6.3938 -6.3938 -1.3157 -1.3151 -0.0137 -0.0123 1.1298 1.1306 7.6174 7.6174 8.9607 8.9608 10.5861 10.5862 12.7395 12.7395 17.4131 17.4132 19.5397 19.5397 20.8144 20.8147 22.1826 22.1828 k = 0.4603-0.0000 0.3497 ( 772 PWs) bands (ev): -6.3712 -6.3712 -1.2066 -1.2059 -0.1162 -0.1148 1.0593 1.0600 7.6241 7.6241 8.9629 8.9630 10.5974 10.5976 12.7578 12.7578 17.4000 17.4001 19.5130 19.5130 20.8184 20.8186 22.1948 22.1950 k = 0.4683-0.0000 0.3497 ( 772 PWs) bands (ev): -6.3524 -6.3524 -1.0976 -1.0968 -0.2189 -0.2176 1.0006 1.0012 7.6296 7.6296 8.9649 8.9649 10.6068 10.6069 12.7729 12.7729 17.3891 17.3892 19.4909 19.4909 20.8218 20.8220 22.2048 22.2049 k = 0.4762-0.0000 0.3497 ( 772 PWs) bands (ev): -6.3376 -6.3376 -0.9892 -0.9884 -0.3218 -0.3206 0.9542 0.9547 7.6340 7.6340 8.9664 8.9664 10.6142 10.6143 12.7848 12.7848 17.3805 17.3805 19.4737 19.4737 20.8247 20.8248 22.2124 22.2125 k = 0.4841-0.0000 0.3497 ( 772 PWs) bands (ev): -6.3270 -6.3270 -0.8829 -0.8821 -0.4240 -0.4228 0.9207 0.9211 7.6371 7.6371 8.9674 8.9675 10.6195 10.6195 12.7933 12.7933 17.3743 17.3743 19.4613 19.4613 20.8267 20.8268 22.2179 22.2180 k = 0.4921-0.0000 0.3497 ( 772 PWs) bands (ev): -6.3206 -6.3206 -0.7835 -0.7827 -0.5206 -0.5197 0.9006 0.9007 7.6390 7.6390 8.9681 8.9681 10.6227 10.6227 12.7985 12.7985 17.3705 17.3705 19.4539 19.4539 20.8280 20.8281 22.2212 22.2212 k = 0.5000-0.0000 0.3497 ( 776 PWs) bands (ev): -6.3184 -6.3184 -0.7251 -0.7251 -0.5773 -0.5773 0.8939 0.8939 7.6396 7.6396 8.9683 8.9683 10.6237 10.6237 12.8002 12.8002 17.3693 17.3693 19.4514 19.4514 20.8285 20.8285 22.2222 22.2222 k = 0.5000-0.0000 0.3497 ( 776 PWs) bands (ev): -6.3184 -6.3184 -0.7251 -0.7251 -0.5773 -0.5773 0.8939 0.8939 7.6396 7.6396 8.9683 8.9683 10.6237 10.6237 12.8002 12.8002 17.3693 17.3693 19.4514 19.4514 20.8285 20.8285 22.2222 22.2222 k = 0.5000 0.0079 0.3497 ( 772 PWs) bands (ev): -6.3175 -6.3175 -0.7241 -0.7241 -0.5764 -0.5764 0.8948 0.8949 7.6340 7.6340 8.9668 8.9668 10.6217 10.6218 12.7950 12.7950 17.3747 17.3748 19.4503 19.4504 20.8303 20.8303 22.2256 22.2256 k = 0.5000 0.0159 0.3497 ( 772 PWs) bands (ev): -6.3146 -6.3146 -0.7210 -0.7210 -0.5735 -0.5734 0.8978 0.8978 7.6173 7.6175 8.9621 8.9622 10.6156 10.6157 12.7795 12.7796 17.3912 17.3914 19.4473 19.4476 20.8359 20.8359 22.2355 22.2356 k = 0.5000 0.0238 0.3497 ( 772 PWs) bands (ev): -6.3097 -6.3097 -0.7160 -0.7160 -0.5686 -0.5686 0.9027 0.9028 7.5898 7.5900 8.9543 8.9544 10.6055 10.6055 12.7538 12.7539 17.4184 17.4187 19.4425 19.4428 20.8451 20.8452 22.2518 22.2520 k = 0.5000 0.0317 0.3497 ( 772 PWs) bands (ev): -6.3030 -6.3029 -0.7089 -0.7089 -0.5618 -0.5617 0.9096 0.9097 7.5516 7.5519 8.9435 8.9436 10.5913 10.5914 12.7182 12.7183 17.4562 17.4566 19.4358 19.4363 20.8581 20.8582 22.2744 22.2747 k = 0.5000 0.0397 0.3497 ( 768 PWs) bands (ev): -6.2943 -6.2942 -0.6999 -0.6998 -0.5531 -0.5530 0.9185 0.9186 7.5032 7.5036 8.9296 8.9298 10.5731 10.5732 12.6729 12.6730 17.5041 17.5046 19.4275 19.4281 20.8748 20.8750 22.3029 22.3032 k = 0.5000 0.0476 0.3497 ( 768 PWs) bands (ev): -6.2836 -6.2836 -0.6888 -0.6887 -0.5424 -0.5423 0.9294 0.9294 7.4448 7.4452 8.9125 8.9127 10.5508 10.5510 12.6182 12.6183 17.5616 17.5621 19.4175 19.4182 20.8954 20.8955 22.3369 22.3372 k = 0.5000 0.0556 0.3497 ( 768 PWs) bands (ev): -6.2711 -6.2711 -0.6757 -0.6756 -0.5299 -0.5298 0.9422 0.9423 7.3770 7.3775 8.8922 8.8925 10.5245 10.5247 12.5544 12.5547 17.6281 17.6287 19.4061 19.4069 20.9198 20.9200 22.3759 22.3763 k = 0.5000 0.0635 0.3497 ( 768 PWs) bands (ev): -6.2566 -6.2566 -0.6606 -0.6605 -0.5154 -0.5153 0.9570 0.9571 7.3002 7.3008 8.8689 8.8692 10.4943 10.4945 12.4822 12.4824 17.7029 17.7036 19.3934 19.3943 20.9480 20.9483 22.4195 22.4199 k = 0.5000 0.0714 0.3497 ( 768 PWs) bands (ev): -6.2402 -6.2402 -0.6435 -0.6434 -0.4991 -0.4989 0.9737 0.9738 7.2151 7.2157 8.8424 8.8428 10.4600 10.4602 12.4018 12.4021 17.7855 17.7863 19.3796 19.3806 20.9803 20.9806 22.4671 22.4676 k = 0.5000 0.0794 0.3497 ( 764 PWs) bands (ev): -6.2219 -6.2219 -0.6245 -0.6243 -0.4808 -0.4807 0.9925 0.9926 7.1222 7.1228 8.8129 8.8133 10.4219 10.4221 12.3139 12.3142 17.8750 17.8758 19.3649 19.3660 21.0166 21.0170 22.5184 22.5189 k = 0.5000 0.0873 0.3497 ( 764 PWs) bands (ev): -6.2018 -6.2017 -0.6034 -0.6033 -0.4608 -0.4606 1.0131 1.0133 7.0220 7.0227 8.7801 8.7806 10.3798 10.3801 12.2189 12.2192 17.9707 17.9716 19.3494 19.3507 21.0569 21.0574 22.5724 22.5730 k = 0.5000 0.0952 0.3497 ( 764 PWs) bands (ev): -6.1797 -6.1797 -0.5804 -0.5803 -0.4389 -0.4387 1.0358 1.0359 6.9152 6.9160 8.7441 8.7447 10.3338 10.3341 12.1173 12.1176 18.0718 18.0727 19.3335 19.3350 21.1013 21.1019 22.6290 22.6295 k = 0.5000 0.1032 0.3497 ( 772 PWs) bands (ev): -6.1558 -6.1557 -0.5555 -0.5554 -0.4152 -0.4150 1.0603 1.0605 6.8023 6.8032 8.7050 8.7055 10.2839 10.2843 12.0095 12.0099 18.1774 18.1783 19.3171 19.3187 21.1499 21.1506 22.6874 22.6880 k = 0.5000 0.1111 0.3497 ( 768 PWs) bands (ev): -6.1299 -6.1299 -0.5287 -0.5285 -0.3898 -0.3895 1.0869 1.0870 6.6841 6.6850 8.6628 8.6634 10.2303 10.2306 11.8963 11.8966 18.2869 18.2878 19.3010 19.3027 21.2027 21.2035 22.7473 22.7479 k = 0.5000 0.1190 0.3497 ( 772 PWs) bands (ev): -6.1023 -6.1022 -0.4999 -0.4997 -0.3626 -0.3623 1.1153 1.1155 6.5609 6.5619 8.6173 8.6180 10.1729 10.1732 11.7779 11.7783 18.3993 18.4003 19.2850 19.2868 21.2597 21.2607 22.8082 22.8088 k = 0.5000 0.1270 0.3497 ( 772 PWs) bands (ev): -6.0728 -6.0727 -0.4692 -0.4690 -0.3337 -0.3334 1.1458 1.1459 6.4335 6.4345 8.5687 8.5694 10.1118 10.1122 11.6549 11.6554 18.5141 18.5150 19.2696 19.2715 21.3210 21.3221 22.8697 22.8701 k = 0.5000 0.1349 0.3497 ( 772 PWs) bands (ev): -6.0414 -6.0414 -0.4367 -0.4365 -0.3032 -0.3029 1.1781 1.1783 6.3022 6.3033 8.5169 8.5177 10.0471 10.0475 11.5278 11.5283 18.6304 18.6313 19.2549 19.2569 21.3865 21.3878 22.9310 22.9313 k = 0.5000 0.1429 0.3497 ( 768 PWs) bands (ev): -6.0083 -6.0082 -0.4022 -0.4020 -0.2710 -0.2707 1.2124 1.2126 6.1678 6.1689 8.4621 8.4629 9.9788 9.9792 11.3971 11.3975 18.7476 18.7486 19.2413 19.2435 21.4562 21.4576 22.9910 22.9910 k = 0.5000 0.1508 0.3497 ( 768 PWs) bands (ev): -5.9733 -5.9732 -0.3660 -0.3658 -0.2374 -0.2370 1.2486 1.2489 6.0305 6.0317 8.4041 8.4049 9.9070 9.9075 11.2630 11.2635 18.8651 18.8659 19.2288 19.2310 21.5297 21.5314 23.0443 23.0451 k = 0.5000 0.1587 0.3497 ( 768 PWs) bands (ev): -5.9366 -5.9365 -0.3279 -0.3277 -0.2022 -0.2018 1.2868 1.2870 5.8909 5.8921 8.3430 8.3439 9.8319 9.8324 11.1260 11.1265 18.9820 18.9828 19.2179 19.2202 21.6070 21.6089 23.0673 23.0696 k = 0.5000 0.1667 0.3497 ( 768 PWs) bands (ev): -5.8981 -5.8980 -0.2880 -0.2878 -0.1656 -0.1651 1.3268 1.3270 5.7494 5.7507 8.2789 8.2799 9.7534 9.7539 10.9865 10.9871 19.0972 19.0978 19.2098 19.2121 21.6878 21.6899 23.0492 23.0513 k = 0.5000 0.1746 0.3497 ( 764 PWs) bands (ev): -5.8579 -5.8578 -0.2464 -0.2461 -0.1276 -0.1272 1.3688 1.3690 5.6066 5.6079 8.2118 8.2128 9.6717 9.6723 10.8449 10.8455 19.1865 19.1884 19.2285 19.2287 21.7717 21.7740 23.0219 23.0237 k = 0.5000 0.1825 0.3497 ( 764 PWs) bands (ev): -5.8160 -5.8159 -0.2030 -0.2028 -0.0884 -0.0879 1.4126 1.4129 5.4627 5.4641 8.1418 8.1428 9.5869 9.5875 10.7014 10.7020 19.1896 19.1924 19.3328 19.3336 21.8582 21.8608 22.9950 22.9967 k = 0.5000 0.1905 0.3497 ( 764 PWs) bands (ev): -5.7724 -5.7723 -0.1579 -0.1577 -0.0481 -0.0476 1.4583 1.4586 5.3182 5.3196 8.0688 8.0699 9.4991 9.4997 10.5564 10.5571 19.1865 19.1894 19.4443 19.4451 21.9469 21.9497 22.9705 22.9720 k = 0.5000 0.1984 0.3497 ( 764 PWs) bands (ev): -5.7271 -5.7270 -0.1112 -0.1110 -0.0067 -0.0062 1.5058 1.5061 5.1736 5.1751 7.9930 7.9941 9.4085 9.4091 10.4103 10.4109 19.1850 19.1880 19.5548 19.5556 22.0370 22.0401 22.9489 22.9504 k = 0.5000 0.2063 0.3497 ( 768 PWs) bands (ev): -5.6803 -5.6802 -0.0629 -0.0626 0.0355 0.0361 1.5552 1.5555 5.0290 5.0306 7.9144 7.9156 9.3150 9.3157 10.2631 10.2638 19.1856 19.1886 19.6637 19.6643 22.1280 22.1313 22.9306 22.9320 k = 0.5000 0.2143 0.3497 ( 768 PWs) bands (ev): -5.6318 -5.6317 -0.0130 -0.0127 0.0785 0.0792 1.6065 1.6068 4.8853 4.8869 7.8331 7.8343 9.2189 9.2196 10.1154 10.1161 19.1887 19.1918 19.7707 19.7714 22.2190 22.2226 22.9157 22.9171 k = 0.5000 0.2222 0.3497 ( 768 PWs) bands (ev): -5.5818 -5.5817 0.0385 0.0388 0.1221 0.1228 1.6595 1.6599 4.7426 4.7442 7.7492 7.7504 9.1203 9.1211 9.9672 9.9679 19.1942 19.1974 19.8760 19.8766 22.3091 22.3130 22.9043 22.9058 k = 0.5000 0.2302 0.3497 ( 768 PWs) bands (ev): -5.5303 -5.5302 0.0915 0.0918 0.1660 0.1668 1.7144 1.7147 4.6013 4.6031 7.6628 7.6640 9.0194 9.0202 9.8188 9.8196 19.2024 19.2057 19.9795 19.9800 22.3976 22.4017 22.8965 22.8980 k = 0.5000 0.2381 0.3497 ( 764 PWs) bands (ev): -5.4773 -5.4772 0.1459 0.1462 0.2101 0.2110 1.7711 1.7715 4.4621 4.4639 7.5739 7.5751 8.9163 8.9171 9.6705 9.6713 19.2133 19.2167 20.0813 20.0818 22.4835 22.4879 22.8924 22.8938 k = 0.5000 0.2460 0.3497 ( 760 PWs) bands (ev): -5.4230 -5.4229 0.2016 0.2019 0.2541 0.2550 1.8295 1.8299 4.3252 4.3271 7.4826 7.4839 8.8111 8.8120 9.5225 9.5233 19.2270 19.2304 20.1818 20.1823 22.5660 22.5706 22.8918 22.8932 k = 0.5000 0.2540 0.3497 ( 760 PWs) bands (ev): -5.3673 -5.3672 0.2587 0.2590 0.2976 0.2985 1.8897 1.8900 4.1913 4.1932 7.3891 7.3904 8.7041 8.7049 9.3749 9.3757 19.2435 19.2470 20.2809 20.2813 22.6439 22.6488 22.8947 22.8961 k = 0.5000 0.2619 0.3497 ( 760 PWs) bands (ev): -5.3103 -5.3102 0.3170 0.3173 0.3403 0.3413 1.9515 1.9519 4.0608 4.0628 7.2935 7.2948 8.5953 8.5962 9.2280 9.2289 19.2628 19.2664 20.3788 20.3792 22.7166 22.7218 22.9012 22.9025 k = 0.5000 0.2698 0.3497 ( 760 PWs) bands (ev): -5.2520 -5.2519 0.3765 0.3768 0.3817 0.3828 2.0151 2.0154 3.9344 3.9365 7.1958 7.1971 8.4849 8.4858 9.0819 9.0828 19.2850 19.2887 20.4758 20.4762 22.7832 22.7886 22.9110 22.9124 k = 0.5000 0.2778 0.3497 ( 760 PWs) bands (ev): -5.1927 -5.1925 0.4215 0.4226 0.4371 0.4374 2.0802 2.0806 3.8126 3.8148 7.0962 7.0975 8.3732 8.3742 8.9368 8.9378 19.3101 19.3138 20.5720 20.5724 22.8430 22.8486 22.9242 22.9255 k = 0.5000 0.2857 0.3497 ( 760 PWs) bands (ev): -5.1322 -5.1321 0.4590 0.4602 0.4986 0.4990 2.1470 2.1474 3.6963 3.6986 6.9947 6.9961 8.2603 8.2613 8.7929 8.7939 19.3381 19.3418 20.6676 20.6680 22.8953 22.9012 22.9406 22.9419 k = 0.5000 0.2937 0.3497 ( 760 PWs) bands (ev): -5.0708 -5.0707 0.4936 0.4949 0.5611 0.5614 2.2154 2.2158 3.5863 3.5886 6.8916 6.8930 8.1465 8.1475 8.6504 8.6514 19.3688 19.3726 20.7628 20.7631 22.9397 22.9458 22.9600 22.9613 k = 0.5000 0.3016 0.3497 ( 760 PWs) bands (ev): -5.0085 -5.0084 0.5247 0.5260 0.6243 0.6247 2.2852 2.2857 3.4832 3.4857 6.7869 6.7884 8.0318 8.0328 8.5094 8.5105 19.4024 19.4062 20.8576 20.8580 22.9757 22.9819 22.9824 22.9839 k = 0.5000 0.3095 0.3497 ( 768 PWs) bands (ev): -4.9454 -4.9453 0.5514 0.5529 0.6882 0.6886 2.3565 2.3570 3.3881 3.3906 6.6808 6.6822 7.9166 7.9176 8.3701 8.3711 19.4384 19.4423 20.9524 20.9527 23.0030 23.0076 23.0084 23.0099 k = 0.5000 0.3175 0.3497 ( 768 PWs) bands (ev): -4.8817 -4.8815 0.5732 0.5747 0.7527 0.7530 2.4293 2.4297 3.3020 3.3046 6.5733 6.5748 7.8011 7.8021 8.2326 8.2337 19.4773 19.4813 21.0471 21.0475 23.0219 23.0285 23.0352 23.0365 k = 0.5000 0.3254 0.3497 ( 768 PWs) bands (ev): -4.8174 -4.8173 0.5891 0.5907 0.8175 0.8179 2.5034 2.5038 3.2257 3.2284 6.4647 6.4662 7.6854 7.6864 8.0972 8.0982 19.5188 19.5227 21.1420 21.1424 23.0322 23.0389 23.0652 23.0665 k = 0.5000 0.3333 0.3497 ( 772 PWs) bands (ev): -4.7528 -4.7526 0.5984 0.6001 0.8826 0.8830 2.5787 2.5792 3.1601 3.1629 6.3550 6.3565 7.5698 7.5709 7.9639 7.9649 19.5626 19.5666 21.2371 21.2375 23.0340 23.0408 23.0973 23.0986 k = 0.5000 0.3413 0.3497 ( 772 PWs) bands (ev): -4.6879 -4.6878 0.6007 0.6023 0.9478 0.9482 2.6552 2.6557 3.1062 3.1090 6.2444 6.2459 7.4547 7.4557 7.8330 7.8340 19.6088 19.6128 21.3325 21.3329 23.0278 23.0347 23.1314 23.1326 k = 0.5000 0.3492 0.3497 ( 772 PWs) bands (ev): -4.6230 -4.6229 0.5953 0.5970 1.0128 1.0132 2.7327 2.7332 3.0643 3.0672 6.1330 6.1345 7.3401 7.3411 7.7047 7.7057 19.6572 19.6612 21.4282 21.4286 23.0140 23.0210 23.1670 23.1682 k = 0.5000 0.3571 0.3497 ( 772 PWs) bands (ev): -4.5583 -4.5581 0.5823 0.5840 1.0776 1.0779 2.8112 2.8117 3.0350 3.0379 6.0209 6.0224 7.2264 7.2274 7.5792 7.5802 19.7075 19.7115 21.5244 21.5248 22.9932 23.0002 23.2040 23.2052 k = 0.5000 0.3651 0.3497 ( 768 PWs) bands (ev): -4.4940 -4.4938 0.5618 0.5634 1.1418 1.1422 2.8905 2.8911 3.0184 3.0212 5.9082 5.9098 7.1138 7.1147 7.4568 7.4578 19.7597 19.7638 21.6209 21.6213 22.9661 22.9732 23.2420 23.2432 k = 0.5000 0.3730 0.3497 ( 768 PWs) bands (ev): -4.4302 -4.4301 0.5341 0.5357 1.2052 1.2055 2.9703 2.9710 3.0142 3.0169 5.7952 5.7967 7.0026 7.0034 7.3378 7.3388 19.8135 19.8175 21.7179 21.7183 22.9333 22.9403 23.2807 23.2819 k = 0.5000 0.3810 0.3497 ( 772 PWs) bands (ev): -4.3675 -4.3673 0.5000 0.5015 1.2675 1.2678 3.0213 3.0244 3.0511 3.0513 5.6818 5.6834 6.8929 6.8937 7.2225 7.2234 19.8685 19.8725 21.8150 21.8154 22.8958 22.9028 23.3198 23.3209 k = 0.5000 0.3889 0.3497 ( 772 PWs) bands (ev): -4.3058 -4.3057 0.4605 0.4619 1.3284 1.3288 3.0404 3.0433 3.1314 3.1318 5.5683 5.5699 6.7851 6.7858 7.1113 7.1122 19.9246 19.9286 21.9122 21.9126 22.8547 22.8616 23.3588 23.3599 k = 0.5000 0.3968 0.3497 ( 776 PWs) bands (ev): -4.2458 -4.2456 0.4166 0.4180 1.3877 1.3880 3.0697 3.0725 3.2118 3.2122 5.4548 5.4564 6.6795 6.6801 7.0047 7.0055 19.9813 19.9853 22.0090 22.0094 22.8111 22.8180 23.3975 23.3985 k = 0.5000 0.4048 0.3497 ( 776 PWs) bands (ev): -4.1876 -4.1874 0.3697 0.3710 1.4449 1.4453 3.1086 3.1112 3.2917 3.2921 5.3414 5.3430 6.5763 6.5769 6.9031 6.9038 20.0385 20.0424 22.1045 22.1049 22.7670 22.7737 23.4354 23.4363 k = 0.5000 0.4127 0.3497 ( 776 PWs) bands (ev): -4.1316 -4.1315 0.3209 0.3221 1.4998 1.5001 3.1560 3.1586 3.3708 3.3712 5.2282 5.2299 6.4760 6.4764 6.8070 6.8076 20.0955 20.0993 22.1970 22.1974 22.7248 22.7313 23.4721 23.4730 k = 0.5000 0.4206 0.3497 ( 776 PWs) bands (ev): -4.0783 -4.0782 0.2716 0.2727 1.5519 1.5522 3.2111 3.2137 3.4485 3.4489 5.1155 5.1171 6.3789 6.3793 6.7170 6.7175 20.1519 20.1556 22.2824 22.2829 22.6895 22.6958 23.5073 23.5082 k = 0.5000 0.4286 0.3497 ( 776 PWs) bands (ev): -4.0281 -4.0280 0.2228 0.2238 1.6008 1.6010 3.2732 3.2756 3.5242 3.5246 5.0032 5.0048 6.2857 6.2860 6.6335 6.6339 20.2070 20.2106 22.3513 22.3521 22.6717 22.6774 23.5406 23.5414 k = 0.5000 0.4365 0.3497 ( 772 PWs) bands (ev): -3.9815 -3.9814 0.1758 0.1767 1.6461 1.6463 3.3413 3.3437 3.5972 3.5976 4.8916 4.8933 6.1971 6.1973 6.5571 6.5575 20.2603 20.2636 22.3878 22.3894 22.6880 22.6927 23.5716 23.5724 k = 0.5000 0.4444 0.3497 ( 776 PWs) bands (ev): -3.9388 -3.9387 0.1315 0.1323 1.6873 1.6876 3.4149 3.4172 3.6664 3.6668 4.7807 4.7824 6.1139 6.1141 6.4883 6.4886 20.3107 20.3138 22.3870 22.3894 22.7444 22.7479 23.5999 23.6006 k = 0.5000 0.4524 0.3497 ( 776 PWs) bands (ev): -3.9007 -3.9006 0.0911 0.0917 1.7241 1.7243 3.4933 3.4956 3.7310 3.7313 4.6708 4.6725 6.0373 6.0374 6.4276 6.4278 20.3576 20.3605 22.3645 22.3672 22.8263 22.8291 23.6252 23.6258 k = 0.5000 0.4603 0.3497 ( 776 PWs) bands (ev): -3.8675 -3.8674 0.0553 0.0558 1.7561 1.7563 3.5761 3.5783 3.7895 3.7897 4.5620 4.5638 5.9685 5.9686 6.3754 6.3756 20.4000 20.4025 22.3346 22.3372 22.9204 22.9228 23.6472 23.6477 k = 0.5000 0.4683 0.3497 ( 772 PWs) bands (ev): -3.8396 -3.8395 0.0249 0.0253 1.7829 1.7830 3.6627 3.6649 3.8406 3.8408 4.4545 4.4563 5.9090 5.9090 6.3322 6.3323 20.4368 20.4389 22.3047 22.3071 23.0199 23.0221 23.6656 23.6660 k = 0.5000 0.4762 0.3497 ( 772 PWs) bands (ev): -3.8175 -3.8175 0.0005 0.0008 1.8041 1.8042 3.7528 3.7549 3.8825 3.8826 4.3484 4.3502 5.8605 5.8605 6.2981 6.2982 20.4669 20.4685 22.2786 22.2805 23.1212 23.1233 23.6801 23.6805 k = 0.5000 0.4841 0.3497 ( 768 PWs) bands (ev): -3.8015 -3.8014 -0.0172 -0.0170 1.8194 1.8195 3.8459 3.8480 3.9140 3.9140 4.2439 4.2457 5.8243 5.8243 6.2736 6.2737 20.4894 20.4905 22.2589 22.2602 23.2204 23.2222 23.6907 23.6909 k = 0.5000 0.4921 0.3497 ( 768 PWs) bands (ev): -3.7917 -3.7917 -0.0280 -0.0279 1.8287 1.8288 3.9321 3.9333 3.9432 3.9440 4.1412 4.1431 5.8020 5.8020 6.2588 6.2588 20.5033 20.5039 22.2465 22.2471 23.3077 23.3091 23.6557 23.6571 k = 0.5000 0.5000 0.3497 ( 768 PWs) bands (ev): -3.7885 -3.7885 -0.0316 -0.0316 1.8319 1.8319 3.9398 3.9398 4.0406 4.0406 4.0424 4.0424 5.7945 5.7945 6.2539 6.2539 20.5082 20.5082 22.2424 22.2424 23.3505 23.3505 23.6129 23.6129 k = 0.5000 0.5000 0.3497 ( 768 PWs) bands (ev): -3.7885 -3.7885 -0.0316 -0.0316 1.8319 1.8319 3.9398 3.9398 4.0406 4.0406 4.0424 4.0424 5.7945 5.7945 6.2539 6.2539 20.5082 20.5082 22.2424 22.2424 23.3505 23.3505 23.6129 23.6129 k = 0.4921 0.5000 0.3497 ( 768 PWs) bands (ev): -3.7899 -3.7899 -0.0366 -0.0366 1.8332 1.8334 3.9389 3.9410 4.0379 4.0401 4.0424 4.0424 5.8004 5.8004 6.2595 6.2595 20.5082 20.5084 22.2408 22.2409 23.3460 23.3461 23.5248 23.5269 k = 0.4841 0.5000 0.3497 ( 768 PWs) bands (ev): -3.7941 -3.7941 -0.0514 -0.0513 1.8373 1.8376 3.9364 3.9406 4.0329 4.0373 4.0436 4.0437 5.8179 5.8180 6.2763 6.2764 20.5084 20.5086 22.2359 22.2361 23.3328 23.3331 23.4075 23.4096 k = 0.4762 0.5000 0.3497 ( 772 PWs) bands (ev): -3.8011 -3.8011 -0.0755 -0.0753 1.8433 1.8438 3.9272 3.9329 4.0319 4.0378 4.0465 4.0467 5.8468 5.8468 6.3038 6.3038 20.5086 20.5091 22.2279 22.2282 23.2899 23.2919 23.3114 23.3118 k = 0.4683 0.5000 0.3497 ( 772 PWs) bands (ev): -3.8109 -3.8109 -0.1083 -0.1080 1.8504 1.8510 3.9065 3.9123 4.0413 4.0473 4.0521 4.0525 5.8862 5.8862 6.3412 6.3413 20.5091 20.5097 22.2168 22.2171 23.1740 23.1760 23.2822 23.2827 k = 0.4603 0.5000 0.3497 ( 776 PWs) bands (ev): -3.8234 -3.8233 -0.1489 -0.1486 1.8572 1.8580 3.8738 3.8788 4.0597 4.0616 4.0636 4.0674 5.9354 5.9354 6.3877 6.3878 20.5098 20.5104 22.2025 22.2030 23.0602 23.0622 23.2461 23.2467 k = 0.4524 0.5000 0.3497 ( 776 PWs) bands (ev): -3.8384 -3.8384 -0.1963 -0.1960 1.8624 1.8634 3.8313 3.8356 4.0752 4.0761 4.0919 4.0960 5.9934 5.9935 6.4425 6.4426 20.5107 20.5115 22.1854 22.1860 22.9489 22.9509 23.2038 23.2046 k = 0.4444 0.5000 0.3497 ( 776 PWs) bands (ev): -3.8560 -3.8559 -0.2496 -0.2493 1.8648 1.8658 3.7814 3.7850 4.0960 4.0969 4.1285 4.1321 6.0594 6.0595 6.5044 6.5045 20.5118 20.5128 22.1655 22.1662 22.8402 22.8422 23.1564 23.1572 k = 0.4365 0.5000 0.3497 ( 772 PWs) bands (ev): -3.8760 -3.8759 -0.3080 -0.3076 1.8631 1.8642 3.7256 3.7287 4.1242 4.1250 4.1717 4.1748 6.1325 6.1326 6.5726 6.5727 20.5134 20.5145 22.1429 22.1436 22.7341 22.7362 23.1045 23.1054 k = 0.4286 0.5000 0.3497 ( 776 PWs) bands (ev): -3.8983 -3.8982 -0.3705 -0.3701 1.8564 1.8576 3.6651 3.6678 4.1606 4.1615 4.2209 4.2235 6.2117 6.2118 6.6461 6.6462 20.5151 20.5163 22.1174 22.1183 22.6310 22.6330 23.0491 23.0500 k = 0.4206 0.5000 0.3497 ( 776 PWs) bands (ev): -3.9229 -3.9227 -0.4364 -0.4360 1.8441 1.8453 3.6010 3.6034 4.2059 4.2068 4.2757 4.2780 6.2963 6.2964 6.7242 6.7243 20.5174 20.5187 22.0897 22.0907 22.5309 22.5330 22.9909 22.9919 k = 0.4127 0.5000 0.3497 ( 776 PWs) bands (ev): -3.9494 -3.9493 -0.5051 -0.5046 1.8259 1.8271 3.5339 3.5361 4.2604 4.2613 4.3359 4.3380 6.3856 6.3856 6.8062 6.8063 20.5201 20.5216 22.0596 22.0608 22.4341 22.4363 22.9307 22.9318 k = 0.4048 0.5000 0.3497 ( 776 PWs) bands (ev): -3.9779 -3.9778 -0.5758 -0.5754 1.8017 1.8029 3.4647 3.4666 4.3241 4.3250 4.4013 4.4031 6.4789 6.4789 6.8915 6.8915 20.5234 20.5250 22.0270 22.0284 22.3407 22.3431 22.8690 22.8702 k = 0.3968 0.5000 0.3497 ( 776 PWs) bands (ev): -4.0082 -4.0080 -0.6482 -0.6477 1.7717 1.7729 3.3937 3.3954 4.3968 4.3977 4.4716 4.4732 6.5757 6.5757 6.9794 6.9794 20.5273 20.5289 21.9920 21.9936 22.2512 22.2537 22.8065 22.8077 k = 0.3889 0.5000 0.3497 ( 772 PWs) bands (ev): -4.0401 -4.0399 -0.7217 -0.7213 1.7363 1.7376 3.3215 3.3231 4.4780 4.4789 4.5468 4.5482 6.6754 6.6755 7.0695 7.0695 20.5318 20.5336 21.9544 21.9563 22.1659 22.1686 22.7436 22.7448 k = 0.3810 0.5000 0.3497 ( 772 PWs) bands (ev): -4.0735 -4.0733 -0.7960 -0.7955 1.6961 1.6972 3.2484 3.2499 4.5673 4.5681 4.6264 4.6277 6.7776 6.7777 7.1613 7.1614 20.5370 20.5389 21.9136 21.9159 22.0855 22.0885 22.6808 22.6820 k = 0.3730 0.5000 0.3497 ( 768 PWs) bands (ev): -4.1082 -4.1080 -0.8707 -0.8703 1.6515 1.6526 3.1749 3.1763 4.6640 4.6647 4.7105 4.7116 6.8818 6.8819 7.2546 7.2546 20.5430 20.5450 21.8691 21.8717 22.0111 22.0144 22.6184 22.6196 k = 0.3651 0.5000 0.3497 ( 768 PWs) bands (ev): -4.1442 -4.1440 -0.9456 -0.9452 1.6031 1.6042 3.1011 3.1024 4.7675 4.7681 4.7986 4.7996 6.9877 6.9879 7.3488 7.3489 20.5499 20.5520 21.8198 21.8226 21.9437 21.9473 22.5568 22.5580 k = 0.3571 0.5000 0.3497 ( 772 PWs) bands (ev): -4.1812 -4.1810 -1.0204 -1.0200 1.5516 1.5527 3.0274 3.0286 4.8771 4.8777 4.8906 4.8915 7.0950 7.0952 7.4437 7.4438 20.5576 20.5598 21.7657 21.7685 21.8840 21.8875 22.4963 22.4975 k = 0.3492 0.5000 0.3497 ( 772 PWs) bands (ev): -4.2191 -4.2189 -1.0949 -1.0944 1.4975 1.4985 2.9539 2.9550 4.9864 4.9872 4.9925 4.9930 7.2033 7.2035 7.5390 7.5391 20.5662 20.5685 21.7080 21.7105 21.8310 21.8341 22.4371 22.4384 k = 0.3413 0.5000 0.3497 ( 772 PWs) bands (ev): -4.2578 -4.2576 -1.1688 -1.1684 1.4412 1.4422 2.8809 2.8819 5.0858 5.0865 5.1128 5.1132 7.3123 7.3126 7.6345 7.6346 20.5757 20.5781 21.6488 21.6509 21.7826 21.7853 22.3797 22.3810 k = 0.3333 0.5000 0.3497 ( 772 PWs) bands (ev): -4.2972 -4.2970 -1.2421 -1.2417 1.3833 1.3842 2.8084 2.8094 5.1886 5.1892 5.2376 5.2381 7.4219 7.4222 7.7299 7.7301 20.5862 20.5887 21.5899 21.5917 21.7370 21.7394 22.3241 22.3254 k = 0.3254 0.5000 0.3497 ( 768 PWs) bands (ev): -4.3370 -4.3369 -1.3146 -1.3142 1.3242 1.3251 2.7367 2.7376 5.2946 5.2951 5.3666 5.3670 7.5316 7.5320 7.8250 7.8252 20.5977 20.6002 21.5327 21.5342 21.6930 21.6951 22.2706 22.2719 k = 0.3175 0.5000 0.3497 ( 768 PWs) bands (ev): -4.3773 -4.3771 -1.3861 -1.3857 1.2642 1.2650 2.6658 2.6667 5.4035 5.4039 5.4992 5.4995 7.6413 7.6417 7.9195 7.9198 20.6100 20.6127 21.4779 21.4792 21.6500 21.6519 22.2195 22.2208 k = 0.3095 0.5000 0.3497 ( 768 PWs) bands (ev): -4.4178 -4.4176 -1.4566 -1.4562 1.2036 1.2044 2.5959 2.5968 5.5151 5.5154 5.6351 5.6354 7.7508 7.7512 8.0134 8.0137 20.6232 20.6259 21.4260 21.4272 21.6076 21.6095 22.1710 22.1723 k = 0.3016 0.5000 0.3497 ( 760 PWs) bands (ev): -4.4585 -4.4583 -1.5259 -1.5256 1.1428 1.1436 2.5271 2.5279 5.6294 5.6297 5.7740 5.7742 7.8598 7.8603 8.1063 8.1067 20.6372 20.6400 21.3773 21.3785 21.5659 21.5676 22.1253 22.1266 k = 0.2937 0.5000 0.3497 ( 760 PWs) bands (ev): -4.4992 -4.4990 -1.5940 -1.5937 1.0820 1.0827 2.4595 2.4602 5.7459 5.7461 5.9154 5.9155 7.9682 7.9687 8.1982 8.1986 20.6518 20.6546 21.3320 21.3331 21.5246 21.5263 22.0828 22.0840 k = 0.2857 0.5000 0.3497 ( 760 PWs) bands (ev): -4.5399 -4.5397 -1.6608 -1.6605 1.0214 1.0221 2.3931 2.3938 5.8645 5.8646 6.0591 6.0591 8.0756 8.0762 8.2889 8.2893 20.6670 20.6698 21.2902 21.2912 21.4838 21.4855 22.0436 22.0448 k = 0.2778 0.5000 0.3497 ( 760 PWs) bands (ev): -4.5804 -4.5802 -1.7263 -1.7259 0.9612 0.9619 2.3280 2.3286 5.9851 5.9851 6.2047 6.2047 8.1820 8.1827 8.3781 8.3786 20.6824 20.6852 21.2519 21.2529 21.4436 21.4453 22.0081 22.0093 k = 0.2698 0.5000 0.3497 ( 760 PWs) bands (ev): -4.6206 -4.6204 -1.7903 -1.7900 0.9017 0.9023 2.2642 2.2649 6.1073 6.1073 6.3521 6.3521 8.2872 8.2879 8.4659 8.4664 20.6978 20.7007 21.2171 21.2182 21.4040 21.4058 21.9766 21.9777 k = 0.2619 0.5000 0.3497 ( 760 PWs) bands (ev): -4.6605 -4.6603 -1.8528 -1.8525 0.8429 0.8435 2.2019 2.2025 6.2310 6.2311 6.5008 6.5010 8.3909 8.3917 8.5520 8.5526 20.7130 20.7159 21.1859 21.1870 21.3651 21.3670 21.9495 21.9506 k = 0.2540 0.5000 0.3497 ( 760 PWs) bands (ev): -4.7000 -4.6998 -1.9138 -1.9135 0.7849 0.7855 2.1411 2.1417 6.3559 6.3561 6.6508 6.6510 8.4931 8.4939 8.6363 8.6369 20.7277 20.7305 21.1581 21.1594 21.3270 21.3290 21.9272 21.9281 k = 0.2460 0.5000 0.3497 ( 760 PWs) bands (ev): -4.7389 -4.7387 -1.9732 -1.9729 0.7280 0.7286 2.0818 2.0823 6.4819 6.4821 6.8018 6.8020 8.5934 8.5943 8.7186 8.7193 20.7415 20.7442 21.1337 21.1351 21.2899 21.2920 21.9099 21.9108 k = 0.2381 0.5000 0.3497 ( 764 PWs) bands (ev): -4.7772 -4.7770 -2.0309 -2.0307 0.6722 0.6727 2.0240 2.0246 6.6086 6.6089 6.9534 6.9537 8.6919 8.6928 8.7990 8.7997 20.7539 20.7566 21.1123 21.1140 21.2538 21.2562 21.8981 21.8988 k = 0.2302 0.5000 0.3497 ( 768 PWs) bands (ev): -4.8149 -4.8147 -2.0871 -2.0868 0.6176 0.6181 1.9679 1.9684 6.7359 6.7363 7.1054 7.1059 8.7883 8.7893 8.8771 8.8780 20.7648 20.7674 21.0937 21.0957 21.2193 21.2220 21.8920 21.8927 k = 0.2222 0.5000 0.3497 ( 768 PWs) bands (ev): -4.8518 -4.8516 -2.1415 -2.1413 0.5643 0.5648 1.9134 1.9139 6.8636 6.8641 7.2577 7.2582 8.8824 8.8835 8.9531 8.9540 20.7738 20.7763 21.0772 21.0795 21.1870 21.1901 21.8921 21.8926 k = 0.2143 0.5000 0.3497 ( 768 PWs) bands (ev): -4.8879 -4.8878 -2.1942 -2.1940 0.5125 0.5129 1.8606 1.8611 6.9914 6.9919 7.4099 7.4105 8.9742 8.9754 9.0268 9.0277 20.7806 20.7830 21.0615 21.0642 21.1580 21.1616 21.8984 21.8987 k = 0.2063 0.5000 0.3497 ( 768 PWs) bands (ev): -4.9232 -4.9230 -2.2452 -2.2450 0.4620 0.4625 1.8096 1.8100 7.1189 7.1195 7.5617 7.5624 9.0635 9.0648 9.0980 9.0990 20.7852 20.7874 21.0449 21.0480 21.1343 21.1382 21.9109 21.9111 k = 0.1984 0.5000 0.3497 ( 764 PWs) bands (ev): -4.9575 -4.9574 -2.2944 -2.2942 0.4131 0.4135 1.7603 1.7607 7.2462 7.2469 7.7130 7.7138 9.1502 9.1516 9.1667 9.1678 20.7874 20.7895 21.0255 21.0285 21.1179 21.1217 21.9297 21.9297 k = 0.1905 0.5000 0.3497 ( 764 PWs) bands (ev): -4.9909 -4.9907 -2.3418 -2.3416 0.3658 0.3662 1.7127 1.7131 7.3726 7.3733 7.8634 7.8642 9.2329 9.2339 9.2342 9.2358 20.7873 20.7891 21.0025 21.0050 21.1094 21.1128 21.9543 21.9545 k = 0.1825 0.5000 0.3497 ( 764 PWs) bands (ev): -5.0232 -5.0231 -2.3874 -2.3872 0.3201 0.3205 1.6669 1.6673 7.4980 7.4988 8.0125 8.0134 9.2965 9.2977 9.3153 9.3169 20.7850 20.7867 20.9767 20.9787 21.1075 21.1105 21.9847 21.9851 k = 0.1746 0.5000 0.3497 ( 764 PWs) bands (ev): -5.0545 -5.0544 -2.4311 -2.4309 0.2761 0.2764 1.6229 1.6233 7.6221 7.6230 8.1601 8.1611 9.3573 9.3586 9.3934 9.3951 20.7807 20.7822 20.9494 20.9510 21.1108 21.1134 22.0204 22.0209 k = 0.1667 0.5000 0.3497 ( 768 PWs) bands (ev): -5.0847 -5.0845 -2.4731 -2.4729 0.2337 0.2341 1.5808 1.5811 7.7445 7.7454 8.3058 8.3070 9.4155 9.4169 9.4685 9.4703 20.7747 20.7760 20.9215 20.9227 21.1181 21.1203 22.0608 22.0615 k = 0.1587 0.5000 0.3497 ( 768 PWs) bands (ev): -5.1137 -5.1135 -2.5131 -2.5130 0.1932 0.1935 1.5405 1.5408 7.8650 7.8660 8.4493 8.4506 9.4709 9.4723 9.5405 9.5424 20.7672 20.7685 20.8936 20.8945 21.1287 21.1306 22.1056 22.1065 k = 0.1508 0.5000 0.3497 ( 768 PWs) bands (ev): -5.1415 -5.1414 -2.5513 -2.5511 0.1544 0.1547 1.5021 1.5024 7.9833 7.9843 8.5903 8.5917 9.5235 9.5250 9.6092 9.6113 20.7586 20.7597 20.8660 20.8666 21.1419 21.1437 22.1541 22.1551 k = 0.1429 0.5000 0.3497 ( 768 PWs) bands (ev): -5.1681 -5.1679 -2.5876 -2.5874 0.1175 0.1178 1.4655 1.4658 8.0989 8.1000 8.7282 8.7298 9.5733 9.5748 9.6747 9.6769 20.7492 20.7501 20.8388 20.8393 21.1575 21.1592 22.2058 22.2069 k = 0.1349 0.5000 0.3497 ( 772 PWs) bands (ev): -5.1934 -5.1933 -2.6220 -2.6218 0.0824 0.0827 1.4309 1.4312 8.2114 8.2126 8.8628 8.8646 9.6202 9.6218 9.7367 9.7391 20.7391 20.7399 20.8122 20.8126 21.1750 21.1765 22.2598 22.2610 k = 0.1270 0.5000 0.3497 ( 772 PWs) bands (ev): -5.2174 -5.2173 -2.6544 -2.6543 0.0492 0.0494 1.3982 1.3984 8.3207 8.3220 8.9936 8.9955 9.6642 9.6659 9.7954 9.7979 20.7286 20.7293 20.7863 20.7865 21.1941 21.1956 22.3158 22.3171 k = 0.1190 0.5000 0.3497 ( 772 PWs) bands (ev): -5.2401 -5.2400 -2.6850 -2.6848 0.0179 0.0181 1.3674 1.3676 8.4263 8.4276 9.1201 9.1223 9.7054 9.7071 9.8506 9.8533 20.7180 20.7186 20.7611 20.7612 21.2145 21.2159 22.3730 22.3743 k = 0.1111 0.5000 0.3497 ( 768 PWs) bands (ev): -5.2615 -5.2614 -2.7136 -2.7134 -0.0114 -0.0112 1.3386 1.3388 8.5278 8.5292 9.2420 9.2443 9.7437 9.7455 9.9023 9.9052 20.7073 20.7079 20.7366 20.7366 21.2360 21.2373 22.4307 22.4322 k = 0.1032 0.5000 0.3497 ( 772 PWs) bands (ev): -5.2814 -5.2813 -2.7402 -2.7401 -0.0389 -0.0387 1.3116 1.3118 8.6247 8.6262 9.3586 9.3612 9.7790 9.7808 9.9504 9.9535 20.6968 20.6972 20.7127 20.7128 21.2579 21.2592 22.4882 22.4897 k = 0.0952 0.5000 0.3497 ( 764 PWs) bands (ev): -5.3000 -5.2999 -2.7649 -2.7648 -0.0643 -0.0641 1.2867 1.2869 8.7170 8.7185 9.4695 9.4724 9.8115 9.8134 9.9948 9.9982 20.6865 20.6870 20.6898 20.6900 21.2802 21.2815 22.5449 22.5465 k = 0.0873 0.5000 0.3497 ( 764 PWs) bands (ev): -5.3172 -5.3171 -2.7877 -2.7876 -0.0878 -0.0876 1.2637 1.2639 8.8038 8.8053 9.5743 9.5774 9.8412 9.8430 10.0357 10.0393 20.6676 20.6677 20.6769 20.6772 21.3024 21.3037 22.4707 22.4708 k = 0.0794 0.5000 0.3497 ( 764 PWs) bands (ev): -5.3329 -5.3328 -2.8085 -2.8084 -0.1093 -0.1091 1.2427 1.2429 8.8848 8.8863 9.6724 9.6758 9.8679 9.8698 10.0728 10.0767 20.6463 20.6466 20.6677 20.6679 21.3243 21.3255 22.3564 22.3565 k = 0.0714 0.5000 0.3497 ( 768 PWs) bands (ev): -5.3472 -5.3471 -2.8273 -2.8272 -0.1287 -0.1286 1.2237 1.2238 8.9598 8.9612 9.7632 9.7670 9.8918 9.8936 10.1060 10.1102 20.6261 20.6263 20.6589 20.6591 21.3454 21.3466 22.2513 22.2515 k = 0.0635 0.5000 0.3497 ( 768 PWs) bands (ev): -5.3600 -5.3600 -2.8442 -2.8441 -0.1462 -0.1461 1.2066 1.2067 9.0282 9.0297 9.8465 9.8507 9.9130 9.9147 10.1355 10.1401 20.6071 20.6074 20.6510 20.6511 21.3657 21.3668 22.1559 22.1563 k = 0.0556 0.5000 0.3497 ( 768 PWs) bands (ev): -5.3714 -5.3713 -2.8590 -2.8590 -0.1616 -0.1615 1.1916 1.1917 9.0898 9.0912 9.9216 9.9255 9.9323 9.9333 10.1611 10.1660 20.5895 20.5897 20.6438 20.6440 21.3847 21.3858 22.0708 22.0712 k = 0.0476 0.5000 0.3497 ( 768 PWs) bands (ev): -5.3812 -5.3812 -2.8720 -2.8719 -0.1750 -0.1749 1.1785 1.1786 9.1442 9.1454 9.9471 9.9486 9.9888 9.9938 10.1827 10.1879 20.5734 20.5737 20.6375 20.6376 21.4022 21.4032 21.9961 21.9966 k = 0.0397 0.5000 0.3497 ( 768 PWs) bands (ev): -5.3896 -5.3895 -2.8829 -2.8828 -0.1863 -0.1862 1.1675 1.1675 9.1909 9.1920 9.9603 9.9616 10.0470 10.0524 10.2000 10.2057 20.5592 20.5595 20.6321 20.6321 21.4179 21.4188 21.9322 21.9328 k = 0.0317 0.5000 0.3497 ( 772 PWs) bands (ev): -5.3964 -5.3964 -2.8918 -2.8918 -0.1956 -0.1955 1.1584 1.1585 9.2296 9.2305 9.9709 9.9721 10.0963 10.1021 10.2130 10.2190 20.5471 20.5473 20.6275 20.6276 21.4314 21.4323 21.8792 21.8798 k = 0.0238 0.5000 0.3497 ( 772 PWs) bands (ev): -5.4017 -5.4017 -2.8988 -2.8988 -0.2028 -0.2028 1.1514 1.1514 9.2601 9.2609 9.9792 9.9801 10.1368 10.1430 10.2214 10.2277 20.5373 20.5375 20.6240 20.6240 21.4427 21.4435 21.8376 21.8382 k = 0.0159 0.5000 0.3497 ( 772 PWs) bands (ev): -5.4055 -5.4055 -2.9038 -2.9038 -0.2080 -0.2080 1.1464 1.1464 9.2822 9.2827 9.9851 9.9857 10.1685 10.1747 10.2250 10.2313 20.5301 20.5303 20.6214 20.6214 21.4513 21.4518 21.8076 21.8080 k = 0.0079 0.5000 0.3497 ( 772 PWs) bands (ev): -5.4078 -5.4078 -2.9067 -2.9067 -0.2111 -0.2111 1.1433 1.1434 9.2956 9.2958 9.9886 9.9889 10.1912 10.1966 10.2244 10.2298 20.5258 20.5258 20.6199 20.6199 21.4567 21.4570 21.7894 21.7897 k = 0.0000 0.5000 0.3497 ( 776 PWs) bands (ev): -5.4086 -5.4086 -2.9077 -2.9077 -0.2121 -0.2121 1.1423 1.1423 9.3002 9.3002 9.9899 9.9899 10.2031 10.2031 10.2250 10.2250 20.5242 20.5242 20.6193 20.6193 21.4587 21.4587 21.7835 21.7835 k = 0.0000 0.5000 0.3497 ( 776 PWs) bands (ev): -5.4086 -5.4086 -2.9077 -2.9077 -0.2121 -0.2121 1.1423 1.1423 9.3002 9.3002 9.9899 9.9899 10.2031 10.2031 10.2250 10.2250 20.5242 20.5242 20.6193 20.6193 21.4587 21.4587 21.7835 21.7835 k = 0.0000 0.4921 0.3497 ( 772 PWs) bands (ev): -5.4136 -5.4136 -2.9049 -2.9048 -0.2165 -0.2164 1.1525 1.1526 9.2985 9.2985 9.9895 9.9895 10.2026 10.2027 10.2252 10.2253 20.5235 20.5236 20.6205 20.6206 21.4587 21.4588 21.7814 21.7815 k = 0.0000 0.4841 0.3497 ( 772 PWs) bands (ev): -5.4284 -5.4284 -2.8965 -2.8964 -0.2290 -0.2287 1.1826 1.1828 9.2932 9.2932 9.9882 9.9883 10.2010 10.2012 10.2258 10.2259 20.5213 20.5214 20.6238 20.6240 21.4589 21.4589 21.7750 21.7752 k = 0.0000 0.4762 0.3497 ( 772 PWs) bands (ev): -5.4527 -5.4527 -2.8833 -2.8832 -0.2476 -0.2472 1.2309 1.2312 9.2847 9.2847 9.9860 9.9862 10.1985 10.1987 10.2268 10.2269 20.5178 20.5179 20.6289 20.6292 21.4594 21.4594 21.7649 21.7652 k = 0.0000 0.4683 0.3497 ( 772 PWs) bands (ev): -5.4858 -5.4858 -2.8663 -2.8661 -0.2698 -0.2693 1.2953 1.2957 9.2729 9.2729 9.9831 9.9833 10.1949 10.1952 10.2281 10.2283 20.5133 20.5135 20.6354 20.6359 21.4602 21.4602 21.7513 21.7517 k = 0.0000 0.4603 0.3497 ( 772 PWs) bands (ev): -5.5270 -5.5269 -2.8468 -2.8466 -0.2926 -0.2921 1.3735 1.3740 9.2580 9.2580 9.9793 9.9796 10.1903 10.1906 10.2296 10.2298 20.5079 20.5081 20.6430 20.6436 21.4615 21.4615 21.7346 21.7351 k = 0.0000 0.4524 0.3497 ( 768 PWs) bands (ev): -5.5753 -5.5753 -2.8265 -2.8262 -0.3132 -0.3126 1.4633 1.4638 9.2402 9.2402 9.9749 9.9752 10.1847 10.1851 10.2314 10.2315 20.5016 20.5020 20.6512 20.6520 21.4636 21.4636 21.7154 21.7160 k = 0.0000 0.4444 0.3497 ( 768 PWs) bands (ev): -5.6300 -5.6299 -2.8069 -2.8067 -0.3290 -0.3284 1.5628 1.5633 9.2195 9.2195 9.9696 9.9700 10.1781 10.1785 10.2330 10.2331 20.4944 20.4948 20.6597 20.6607 21.4664 21.4665 21.6940 21.6948 k = 0.0000 0.4365 0.3497 ( 764 PWs) bands (ev): -5.6901 -5.6900 -2.7900 -2.7897 -0.3376 -0.3369 1.6705 1.6711 9.1963 9.1963 9.9637 9.9641 10.1705 10.1709 10.2345 10.2346 20.4860 20.4865 20.6686 20.6698 21.4704 21.4705 21.6713 21.6722 k = 0.0000 0.4286 0.3497 ( 764 PWs) bands (ev): -5.7547 -5.7547 -2.7771 -2.7768 -0.3371 -0.3363 1.7851 1.7857 9.1707 9.1707 9.9571 9.9575 10.1619 10.1623 10.2356 10.2358 20.4758 20.4765 20.6773 20.6787 21.4757 21.4757 21.6475 21.6485 k = 0.0000 0.4206 0.3497 ( 764 PWs) bands (ev): -5.8232 -5.8231 -2.7697 -2.7693 -0.3259 -0.3251 1.9056 1.9062 9.1428 9.1428 9.9498 9.9503 10.1523 10.1526 10.2364 10.2365 20.4636 20.4644 20.6859 20.6876 21.4824 21.4825 21.6232 21.6244 k = 0.0000 0.4127 0.3497 ( 764 PWs) bands (ev): -5.8948 -5.8947 -2.7688 -2.7685 -0.3029 -0.3021 2.0311 2.0318 9.1130 9.1130 9.9420 9.9425 10.1417 10.1421 10.2367 10.2368 20.4488 20.4497 20.6944 20.6963 21.4908 21.4908 21.5989 21.6002 k = 0.0000 0.4048 0.3497 ( 764 PWs) bands (ev): -5.9688 -5.9687 -2.7751 -2.7748 -0.2675 -0.2667 2.1611 2.1618 9.0814 9.0814 9.9337 9.9342 10.1301 10.1305 10.2363 10.2364 20.4310 20.4319 20.7027 20.7048 21.5009 21.5009 21.5749 21.5764 k = 0.0000 0.3968 0.3497 ( 766 PWs) bands (ev): -6.0447 -6.0447 -2.7890 -2.7886 -0.2194 -0.2186 2.2950 2.2957 9.0482 9.0482 9.9249 9.9255 10.1176 10.1180 10.2351 10.2352 20.4095 20.4105 20.7106 20.7130 21.5128 21.5129 21.5516 21.5532 k = 0.0000 0.3889 0.3497 ( 762 PWs) bands (ev): -6.1221 -6.1220 -2.8102 -2.8098 -0.1588 -0.1581 2.4323 2.4330 9.0136 9.0136 9.9158 9.9164 10.1042 10.1046 10.2333 10.2333 20.3841 20.3851 20.7183 20.7208 21.5256 21.5268 21.5303 21.5309 k = 0.0000 0.3810 0.3497 ( 762 PWs) bands (ev): -6.2004 -6.2004 -2.8384 -2.8381 -0.0864 -0.0857 2.5727 2.5734 8.9777 8.9777 9.9063 9.9070 10.0899 10.0903 10.2305 10.2306 20.3544 20.3554 20.7253 20.7280 21.5075 21.5097 21.5428 21.5430 k = 0.0000 0.3730 0.3497 ( 762 PWs) bands (ev): -6.2794 -6.2794 -2.8730 -2.8728 -0.0027 -0.0020 2.7157 2.7164 8.9408 8.9408 9.8966 9.8973 10.0746 10.0750 10.2269 10.2269 20.3202 20.3212 20.7314 20.7343 21.4876 21.4899 21.5608 21.5609 k = 0.0000 0.3651 0.3497 ( 762 PWs) bands (ev): -6.3587 -6.3587 -2.9134 -2.9131 0.0913 0.0920 2.8611 2.8618 8.9029 8.9029 9.8868 9.8875 10.0585 10.0589 10.2223 10.2224 20.2814 20.2824 20.7361 20.7391 21.4694 21.4718 21.5809 21.5809 k = 0.0000 0.3571 0.3497 ( 762 PWs) bands (ev): -6.4381 -6.4380 -2.9587 -2.9584 0.1948 0.1955 3.0087 3.0094 8.8642 8.8642 9.8769 9.8777 10.0414 10.0418 10.2168 10.2168 20.2380 20.2390 20.7388 20.7418 21.4532 21.4557 21.6030 21.6030 k = 0.0000 0.3492 0.3497 ( 758 PWs) bands (ev): -6.5172 -6.5171 -3.0080 -3.0078 0.3069 0.3076 3.1582 3.1589 8.8249 8.8249 9.8670 9.8679 10.0235 10.0239 10.2104 10.2104 20.1902 20.1911 20.7388 20.7419 21.4395 21.4420 21.6272 21.6272 k = 0.0000 0.3413 0.3497 ( 758 PWs) bands (ev): -6.5959 -6.5958 -3.0608 -3.0606 0.4267 0.4273 3.3093 3.3100 8.7850 8.7850 9.8573 9.8582 10.0047 10.0052 10.2030 10.2031 20.1380 20.1388 20.7352 20.7382 21.4287 21.4313 21.6533 21.6533 k = 0.0000 0.3333 0.3497 ( 758 PWs) bands (ev): -6.6739 -6.6739 -3.1163 -3.1161 0.5533 0.5539 3.4618 3.4626 8.7447 8.7447 9.8478 9.8488 9.9851 9.9855 10.1947 10.1948 20.0816 20.0824 20.7272 20.7302 21.4215 21.4240 21.6813 21.6813 k = 0.0000 0.3254 0.3497 ( 758 PWs) bands (ev): -6.7512 -6.7512 -3.1739 -3.1737 0.6861 0.6866 3.6156 3.6163 8.7041 8.7041 9.8387 9.8397 9.9646 9.9651 10.1856 10.1856 20.0213 20.0221 20.7139 20.7168 21.4183 21.4207 21.7111 21.7111 k = 0.0000 0.3175 0.3497 ( 758 PWs) bands (ev): -6.8276 -6.8276 -3.2330 -3.2329 0.8244 0.8250 3.7703 3.7711 8.6634 8.6634 9.8300 9.8310 9.9433 9.9438 10.1755 10.1756 19.9572 19.9579 20.6947 20.6974 21.4196 21.4218 21.7427 21.7427 k = 0.0000 0.3095 0.3497 ( 758 PWs) bands (ev): -6.9030 -6.9029 -3.2932 -3.2931 0.9677 0.9682 3.9259 3.9266 8.6226 8.6226 9.8219 9.8229 9.9211 9.9216 10.1647 10.1647 19.8895 19.8902 20.6691 20.6716 21.4255 21.4276 21.7759 21.7759 k = 0.0000 0.3016 0.3497 ( 758 PWs) bands (ev): -6.9771 -6.9771 -3.3541 -3.3540 1.1155 1.1160 4.0820 4.0827 8.5818 8.5818 9.8144 9.8156 9.8981 9.8987 10.1531 10.1531 19.8183 19.8190 20.6369 20.6391 21.4362 21.4381 21.8106 21.8106 k = 0.0000 0.2937 0.3497 ( 758 PWs) bands (ev): -7.0500 -7.0500 -3.4153 -3.4152 1.2672 1.2677 4.2384 4.2392 8.5411 8.5411 9.8078 9.8090 9.8743 9.8749 10.1408 10.1408 19.7438 19.7445 20.5981 20.6000 21.4513 21.4530 21.8467 21.8467 k = 0.0000 0.2857 0.3497 ( 762 PWs) bands (ev): -7.1216 -7.1216 -3.4766 -3.4765 1.4225 1.4230 4.3949 4.3957 8.5007 8.5007 9.8020 9.8034 9.8497 9.8504 10.1278 10.1278 19.6661 19.6667 20.5528 20.5545 21.4705 21.4720 21.8841 21.8841 k = 0.0000 0.2778 0.3497 ( 766 PWs) bands (ev): -7.1917 -7.1917 -3.5376 -3.5375 1.5810 1.5815 4.5513 4.5521 8.4605 8.4605 9.7970 9.7986 9.8245 9.8254 10.1142 10.1142 19.5852 19.5857 20.5015 20.5030 21.4935 21.4948 21.9226 21.9226 k = 0.0000 0.2698 0.3497 ( 764 PWs) bands (ev): -7.2604 -7.2604 -3.5981 -3.5980 1.7425 1.7429 4.7073 4.7081 8.4207 8.4207 9.7900 9.7918 9.8018 9.8029 10.1000 10.1000 19.5013 19.5018 20.4447 20.4460 21.5199 21.5210 21.9621 21.9621 k = 0.0000 0.2619 0.3497 ( 764 PWs) bands (ev): -7.3275 -7.3274 -3.6579 -3.6578 1.9065 1.9069 4.8627 4.8635 8.3813 8.3813 9.7684 9.7687 9.7955 9.7960 10.0854 10.0854 19.4144 19.4149 20.3826 20.3837 21.5491 21.5500 22.0025 22.0025 k = 0.0000 0.2540 0.3497 ( 764 PWs) bands (ev): -7.3929 -7.3929 -3.7168 -3.7168 2.0728 2.0732 5.0170 5.0178 8.3425 8.3425 9.7408 9.7409 9.7948 9.7957 10.0704 10.0704 19.3245 19.3250 20.3159 20.3168 21.5807 21.5814 22.0435 22.0435 k = 0.0000 0.2460 0.3497 ( 770 PWs) bands (ev): -7.4567 -7.4567 -3.7748 -3.7748 2.2411 2.2415 5.1701 5.1709 8.3041 8.3041 9.7117 9.7119 9.7964 9.7975 10.0550 10.0550 19.2316 19.2322 20.2447 20.2454 21.6142 21.6148 22.0850 22.0850 k = 0.0000 0.2381 0.3497 ( 770 PWs) bands (ev): -7.5188 -7.5188 -3.8317 -3.8316 2.4113 2.4116 5.3215 5.3223 8.2665 8.2665 9.6815 9.6817 9.8003 9.8015 10.0393 10.0393 19.1360 19.1365 20.1697 20.1703 21.6495 21.6500 22.1270 22.1270 k = 0.0000 0.2302 0.3497 ( 770 PWs) bands (ev): -7.5791 -7.5791 -3.8873 -3.8873 2.5830 2.5833 5.4710 5.4718 8.2296 8.2296 9.6502 9.6505 9.8066 9.8078 10.0234 10.0235 19.0375 19.0381 20.0912 20.0918 21.6861 21.6865 22.1693 22.1693 k = 0.0000 0.2222 0.3497 ( 770 PWs) bands (ev): -7.6376 -7.6376 -3.9416 -3.9415 2.7560 2.7563 5.6181 5.6189 8.1935 8.1935 9.6178 9.6181 9.8154 9.8167 10.0074 10.0074 18.9363 18.9369 20.0097 20.0101 21.7238 21.7241 22.2116 22.2116 k = 0.0000 0.2143 0.3497 ( 774 PWs) bands (ev): -7.6943 -7.6943 -3.9944 -3.9944 2.9302 2.9304 5.7625 5.7633 8.1581 8.1582 9.5842 9.5846 9.8269 9.8282 9.9913 9.9913 18.8326 18.8331 19.9254 19.9258 21.7623 21.7625 22.2539 22.2539 k = 0.0000 0.2063 0.3497 ( 774 PWs) bands (ev): -7.7491 -7.7491 -4.0458 -4.0458 3.1052 3.1054 5.9037 5.9045 8.1237 8.1237 9.5495 9.5498 9.8414 9.8428 9.9751 9.9752 18.7263 18.7269 19.8387 19.8390 21.8013 21.8015 22.2960 22.2960 k = 0.0000 0.1984 0.3497 ( 774 PWs) bands (ev): -7.8021 -7.8020 -4.0956 -4.0955 3.2808 3.2811 6.0414 6.0422 8.0902 8.0902 9.5135 9.5139 9.8592 9.8606 9.9591 9.9592 18.6179 18.6185 19.7501 19.7503 21.8407 21.8408 22.3377 22.3377 k = 0.0000 0.1905 0.3497 ( 770 PWs) bands (ev): -7.8531 -7.8531 -4.1437 -4.1437 3.4569 3.4572 6.1750 6.1758 8.0577 8.0577 9.4761 9.4765 9.8803 9.8818 9.9431 9.9433 18.5074 18.5080 19.6598 19.6600 21.8803 21.8804 22.3790 22.3790 k = 0.0000 0.1825 0.3497 ( 770 PWs) bands (ev): -7.9021 -7.9021 -4.1902 -4.1902 3.6332 3.6334 6.3042 6.3049 8.0261 8.0262 9.4374 9.4378 9.9047 9.9066 9.9273 9.9278 18.3952 18.3958 19.5680 19.5682 21.9198 21.9198 22.4196 22.4197 k = 0.0000 0.1746 0.3497 ( 766 PWs) bands (ev): -7.9493 -7.9492 -4.2349 -4.2349 3.8096 3.8097 6.4285 6.4293 7.9957 7.9957 9.3971 9.3976 9.9112 9.9117 9.9344 9.9353 18.2816 18.2822 19.4753 19.4755 21.9592 21.9592 22.4596 22.4596 k = 0.0000 0.1667 0.3497 ( 762 PWs) bands (ev): -7.9944 -7.9944 -4.2779 -4.2779 3.9855 3.9857 6.5476 6.5482 7.9664 7.9664 9.3554 9.3558 9.8963 9.8964 9.9666 9.9679 18.1670 18.1677 19.3819 19.3820 21.9980 21.9980 22.4986 22.4986 k = 0.0000 0.1587 0.3497 ( 760 PWs) bands (ev): -8.0375 -8.0375 -4.3190 -4.3190 4.1610 4.1611 6.6608 6.6614 7.9382 7.9382 9.3119 9.3124 9.8814 9.8815 10.0031 10.0043 18.0519 18.0526 19.2880 19.2881 22.0362 22.0363 22.5367 22.5367 k = 0.0000 0.1508 0.3497 ( 760 PWs) bands (ev): -8.0786 -8.0786 -4.3583 -4.3583 4.3356 4.3357 6.7680 6.7686 7.9112 7.9112 9.2666 9.2671 9.8669 9.8670 10.0435 10.0448 17.9368 17.9374 19.1940 19.1941 22.0737 22.0738 22.5736 22.5736 k = 0.0000 0.1429 0.3497 ( 760 PWs) bands (ev): -8.1177 -8.1177 -4.3958 -4.3958 4.5091 4.5092 6.8688 6.8693 7.8853 7.8853 9.2195 9.2200 9.8528 9.8529 10.0879 10.0892 17.8221 17.8227 19.1003 19.1004 22.1104 22.1104 22.6093 22.6093 k = 0.0000 0.1349 0.3497 ( 760 PWs) bands (ev): -8.1548 -8.1548 -4.4314 -4.4313 4.6812 4.6813 6.9631 6.9635 7.8607 7.8607 9.1705 9.1710 9.8392 9.8392 10.1360 10.1373 17.7085 17.7091 19.0072 19.0072 22.1459 22.1460 22.6437 22.6437 k = 0.0000 0.1270 0.3497 ( 760 PWs) bands (ev): -8.1897 -8.1897 -4.4650 -4.4650 4.8516 4.8516 7.0506 7.0509 7.8373 7.8373 9.1195 9.1201 9.8261 9.8262 10.1876 10.1888 17.5966 17.5972 18.9150 18.9150 22.1803 22.1804 22.6766 22.6766 k = 0.0000 0.1190 0.3497 ( 756 PWs) bands (ev): -8.2227 -8.2227 -4.4966 -4.4966 5.0199 5.0199 7.1313 7.1315 7.8153 7.8153 9.0664 9.0671 9.8136 9.8137 10.2421 10.2433 17.4870 17.4877 18.8242 18.8242 22.2136 22.2136 22.7081 22.7081 k = 0.0000 0.1111 0.3497 ( 756 PWs) bands (ev): -8.2535 -8.2535 -4.5264 -4.5264 5.1856 5.1856 7.2051 7.2052 7.7945 7.7945 9.0114 9.0120 9.8018 9.8018 10.2991 10.3003 17.3804 17.3810 18.7352 18.7352 22.2452 22.2453 22.7378 22.7379 k = 0.0000 0.1032 0.3497 ( 756 PWs) bands (ev): -8.2823 -8.2822 -4.5541 -4.5541 5.3483 5.3484 7.2722 7.2722 7.7751 7.7751 8.9543 8.9550 9.7905 9.7906 10.3580 10.3591 17.2775 17.2780 18.6484 18.6485 22.2753 22.2753 22.7659 22.7659 k = 0.0000 0.0952 0.3497 ( 756 PWs) bands (ev): -8.3089 -8.3089 -4.5798 -4.5798 5.5075 5.5077 7.3326 7.3328 7.7570 7.7570 8.8953 8.8960 9.7800 9.7800 10.4178 10.4189 17.1788 17.1794 18.5645 18.5645 22.3037 22.3037 22.7921 22.7922 k = 0.0000 0.0873 0.3497 ( 756 PWs) bands (ev): -8.3335 -8.3335 -4.6036 -4.6036 5.6628 5.6629 7.3866 7.3869 7.7403 7.7403 8.8345 8.8352 9.7702 9.7702 10.4779 10.4789 17.0850 17.0855 18.4839 18.4839 22.3302 22.3303 22.7802 22.7802 k = 0.0000 0.0794 0.3497 ( 752 PWs) bands (ev): -8.3559 -8.3559 -4.6252 -4.6252 5.8133 5.8135 7.4345 7.4348 7.7250 7.7251 8.7722 8.7730 9.7612 9.7612 10.5374 10.5383 16.9969 16.9974 18.4072 18.4073 22.3551 22.3551 22.7468 22.7468 k = 0.0000 0.0714 0.3497 ( 742 PWs) bands (ev): -8.3762 -8.3762 -4.6449 -4.6449 5.9584 5.9586 7.4765 7.4771 7.7112 7.7112 8.7088 8.7096 9.7529 9.7529 10.5952 10.5960 16.9150 16.9155 18.3352 18.3352 22.3780 22.3780 22.7164 22.7165 k = 0.0000 0.0635 0.3497 ( 740 PWs) bands (ev): -8.3944 -8.3944 -4.6625 -4.6625 6.0967 6.0970 7.5127 7.5134 7.6987 7.6987 8.6449 8.6458 9.7454 9.7454 10.6503 10.6511 16.8400 16.8404 18.2684 18.2684 22.3986 22.3987 22.6891 22.6892 k = 0.0000 0.0556 0.3497 ( 740 PWs) bands (ev): -8.4104 -8.4104 -4.6780 -4.6780 6.2273 6.2276 7.5436 7.5444 7.6877 7.6877 8.5813 8.5822 9.7388 9.7388 10.7018 10.7025 16.7723 16.7727 18.2074 18.2074 22.4170 22.4170 22.6649 22.6650 k = 0.0000 0.0476 0.3497 ( 740 PWs) bands (ev): -8.4244 -8.4244 -4.6916 -4.6915 6.3487 6.3490 7.5693 7.5702 7.6781 7.6781 8.5193 8.5202 9.7330 9.7330 10.7487 10.7493 16.7125 16.7129 18.1529 18.1529 22.4331 22.4332 22.6438 22.6440 k = 0.0000 0.0397 0.3497 ( 744 PWs) bands (ev): -8.4362 -8.4362 -4.7030 -4.7030 6.4588 6.4592 7.5900 7.5910 7.6700 7.6700 8.4604 8.4613 9.7280 9.7280 10.7901 10.7906 16.6611 16.6614 18.1056 18.1056 22.4468 22.4469 22.6259 22.6261 k = 0.0000 0.0317 0.3497 ( 744 PWs) bands (ev): -8.4458 -8.4458 -4.7124 -4.7124 6.5555 6.5559 7.6062 7.6072 7.6634 7.6634 8.4066 8.4074 9.7240 9.7240 10.8253 10.8257 16.6185 16.6187 18.0660 18.0660 22.4582 22.4583 22.6112 22.6114 k = 0.0000 0.0238 0.3497 ( 750 PWs) bands (ev): -8.4533 -8.4533 -4.7197 -4.7197 6.6358 6.6361 7.6180 7.6189 7.6582 7.6582 8.3604 8.3611 9.7208 9.7208 10.8534 10.8537 16.5849 16.5851 18.0346 18.0346 22.4669 22.4670 22.5997 22.5999 k = 0.0000 0.0159 0.3497 ( 750 PWs) bands (ev): -8.4587 -8.4587 -4.7249 -4.7249 6.6966 6.6969 7.6260 7.6267 7.6546 7.6546 8.3247 8.3252 9.7185 9.7185 10.8739 10.8741 16.5608 16.5609 18.0118 18.0119 22.4734 22.4734 22.5915 22.5916 k = 0.0000 0.0079 0.3497 ( 750 PWs) bands (ev): -8.4619 -8.4619 -4.7280 -4.7280 6.7348 6.7349 7.6305 7.6309 7.6525 7.6525 8.3020 8.3023 9.7171 9.7171 10.8864 10.8865 16.5462 16.5463 17.9981 17.9981 22.4773 22.4773 22.5866 22.5867 k = 0.0000 0.0000 0.3497 ( 750 PWs) bands (ev): -8.4630 -8.4630 -4.7290 -4.7290 6.7479 6.7479 7.6321 7.6321 7.6518 7.6518 8.2943 8.2943 9.7167 9.7167 10.8907 10.8907 16.5414 16.5414 17.9935 17.9935 22.4786 22.4786 22.5850 22.5850 k = 0.0000 0.5000-0.0000 ( 766 PWs) bands (ev): -5.8439 -5.8439 -4.0303 -4.0303 3.5622 3.5622 4.7525 4.7525 5.4151 5.4151 6.1283 6.1283 9.1668 9.1668 10.0322 10.0322 20.6388 20.6388 21.5687 21.5687 22.8683 22.8683 23.6883 23.6883 k = 0.0000 0.5000 0.0079 ( 766 PWs) bands (ev): -5.8434 -5.8434 -4.0294 -4.0294 3.5526 3.5526 4.7223 4.7223 5.4464 5.4464 6.1386 6.1386 9.1670 9.1670 10.0325 10.0325 20.6393 20.6393 21.5688 21.5688 22.8662 22.8662 23.6847 23.6847 k = 0.0000 0.5000 0.0159 ( 762 PWs) bands (ev): -5.8420 -5.8420 -4.0265 -4.0265 3.5241 3.5241 4.6444 4.6444 5.5275 5.5275 6.1689 6.1689 9.1675 9.1675 10.0332 10.0332 20.6405 20.6405 21.5691 21.5691 22.8598 22.8598 23.6740 23.6740 k = 0.0000 0.5000 0.0238 ( 766 PWs) bands (ev): -5.8396 -5.8396 -4.0218 -4.0218 3.4779 3.4779 4.5395 4.5395 5.6373 5.6373 6.2179 6.2179 9.1683 9.1683 10.0343 10.0343 20.6425 20.6425 21.5693 21.5693 22.8492 22.8492 23.6562 23.6562 k = 0.0000 0.5000 0.0318 ( 766 PWs) bands (ev): -5.8362 -5.8362 -4.0152 -4.0152 3.4162 3.4162 4.4214 4.4214 5.7625 5.7625 6.2836 6.2836 9.1694 9.1694 10.0360 10.0360 20.6452 20.6452 21.5698 21.5698 22.8345 22.8345 23.6318 23.6318 k = 0.0000 0.5000 0.0397 ( 766 PWs) bands (ev): -5.8319 -5.8319 -4.0067 -4.0067 3.3410 3.3410 4.2968 4.2968 5.8962 5.8962 6.3640 6.3640 9.1709 9.1709 10.0380 10.0380 20.6488 20.6488 21.5702 21.5702 22.8159 22.8159 23.6010 23.6010 k = 0.0000 0.5000 0.0477 ( 766 PWs) bands (ev): -5.8266 -5.8266 -3.9963 -3.9963 3.2546 3.2546 4.1691 4.1691 6.0350 6.0350 6.4566 6.4566 9.1727 9.1727 10.0406 10.0406 20.6530 20.6530 21.5706 21.5706 22.7934 22.7934 23.5643 23.5643 k = 0.0000 0.5000 0.0556 ( 766 PWs) bands (ev): -5.8205 -5.8205 -3.9841 -3.9841 3.1590 3.1590 4.0402 4.0402 6.1769 6.1769 6.5595 6.5595 9.1748 9.1748 10.0435 10.0435 20.6580 20.6580 21.5709 21.5709 22.7672 22.7672 23.5222 23.5222 k = 0.0000 0.5000 0.0636 ( 762 PWs) bands (ev): -5.8134 -5.8134 -3.9700 -3.9700 3.0560 3.0560 3.9111 3.9111 6.3210 6.3210 6.6708 6.6708 9.1771 9.1771 10.0469 10.0469 20.6636 20.6636 21.5709 21.5709 22.7376 22.7376 23.4753 23.4753 k = 0.0000 0.5000 0.0715 ( 770 PWs) bands (ev): -5.8055 -5.8055 -3.9542 -3.9542 2.9471 2.9471 3.7826 3.7826 6.4662 6.4662 6.7888 6.7888 9.1797 9.1797 10.0507 10.0507 20.6696 20.6696 21.5704 21.5704 22.7048 22.7048 23.4240 23.4240 k = 0.0000 0.5000 0.0795 ( 770 PWs) bands (ev): -5.7967 -5.7967 -3.9365 -3.9365 2.8338 2.8338 3.6551 3.6551 6.6122 6.6122 6.9122 6.9122 9.1826 9.1826 10.0548 10.0548 20.6763 20.6763 21.5694 21.5694 22.6690 22.6690 23.3692 23.3692 k = 0.0000 0.5000 0.0874 ( 770 PWs) bands (ev): -5.7872 -5.7872 -3.9170 -3.9170 2.7170 2.7170 3.5290 3.5290 6.7585 6.7585 7.0398 7.0398 9.1858 9.1858 10.0594 10.0594 20.6834 20.6834 21.5676 21.5676 22.6305 22.6305 23.3115 23.3115 k = 0.0000 0.5000 0.0954 ( 772 PWs) bands (ev): -5.7768 -5.7768 -3.8958 -3.8958 2.5978 2.5978 3.4046 3.4046 6.9049 6.9049 7.1707 7.1707 9.1893 9.1893 10.0642 10.0642 20.6908 20.6908 21.5648 21.5648 22.5896 22.5896 23.2515 23.2515 k = 0.0000 0.5000 0.1033 ( 772 PWs) bands (ev): -5.7657 -5.7657 -3.8729 -3.8729 2.4767 2.4767 3.2820 3.2820 7.0510 7.0510 7.3040 7.3040 9.1929 9.1929 10.0694 10.0694 20.6986 20.6986 21.5607 21.5607 22.5465 22.5465 23.1900 23.1900 k = 0.0000 0.5000 0.1113 ( 772 PWs) bands (ev): -5.7540 -5.7540 -3.8482 -3.8482 2.3545 2.3545 3.1615 3.1615 7.1966 7.1966 7.4391 7.4391 9.1967 9.1967 10.0749 10.0749 20.7064 20.7064 21.5550 21.5550 22.5015 22.5015 23.1278 23.1278 k = 0.0000 0.5000 0.1192 ( 770 PWs) bands (ev): -5.7416 -5.7416 -3.8219 -3.8219 2.2316 2.2316 3.0433 3.0433 7.3414 7.3414 7.5753 7.5753 9.2008 9.2008 10.0807 10.0807 20.7143 20.7143 21.5475 21.5475 22.4549 22.4549 23.0655 23.0655 k = 0.0000 0.5000 0.1272 ( 768 PWs) bands (ev): -5.7286 -5.7286 -3.7940 -3.7940 2.1086 2.1086 2.9275 2.9275 7.4851 7.4851 7.7120 7.7120 9.2050 9.2050 10.0867 10.0867 20.7222 20.7222 21.5377 21.5377 22.4071 22.4071 23.0040 23.0040 k = 0.0000 0.5000 0.1351 ( 772 PWs) bands (ev): -5.7150 -5.7150 -3.7646 -3.7646 1.9857 1.9857 2.8141 2.8141 7.6276 7.6276 7.8489 7.8489 9.2093 9.2093 10.0929 10.0929 20.7298 20.7298 21.5252 21.5252 22.3581 22.3581 22.9440 22.9440 k = 0.0000 0.5000 0.1431 ( 772 PWs) bands (ev): -5.7010 -5.7010 -3.7337 -3.7337 1.8634 1.8634 2.7034 2.7034 7.7685 7.7685 7.9853 7.9853 9.2137 9.2137 10.0994 10.0994 20.7369 20.7369 21.5097 21.5097 22.3085 22.3085 22.8861 22.8861 k = 0.0000 0.5000 0.1510 ( 772 PWs) bands (ev): -5.6866 -5.6866 -3.7013 -3.7013 1.7420 1.7420 2.5956 2.5956 7.9077 7.9077 8.1209 8.1209 9.2183 9.2183 10.1059 10.1059 20.7435 20.7435 21.4908 21.4908 22.2584 22.2584 22.8312 22.8312 k = 0.0000 0.5000 0.1590 ( 772 PWs) bands (ev): -5.6717 -5.6717 -3.6676 -3.6676 1.6217 1.6217 2.4906 2.4906 8.0449 8.0449 8.2553 8.2553 9.2230 9.2230 10.1126 10.1126 20.7493 20.7493 21.4682 21.4682 22.2081 22.2081 22.7459 22.7459 k = 0.0000 0.5000 0.1669 ( 770 PWs) bands (ev): -5.6566 -5.6566 -3.6326 -3.6326 1.5028 1.5028 2.3887 2.3887 8.1798 8.1798 8.3881 8.3881 9.2277 9.2277 10.1194 10.1194 20.7542 20.7542 21.4418 21.4418 22.1579 22.1579 22.6595 22.6595 k = 0.0000 0.5000 0.1749 ( 770 PWs) bands (ev): -5.6413 -5.6413 -3.5964 -3.5964 1.3855 1.3855 2.2899 2.2899 8.3121 8.3121 8.5189 8.5189 9.2325 9.2325 10.1263 10.1263 20.7579 20.7579 21.4113 21.4113 22.1080 22.1080 22.5755 22.5755 k = 0.0000 0.5000 0.1828 ( 768 PWs) bands (ev): -5.6258 -5.6258 -3.5591 -3.5591 1.2701 1.2701 2.1945 2.1945 8.4417 8.4417 8.6474 8.6474 9.2372 9.2372 10.1331 10.1331 20.7601 20.7601 21.3768 21.3768 22.0586 22.0586 22.4944 22.4944 k = 0.0000 0.5000 0.1908 ( 768 PWs) bands (ev): -5.6103 -5.6103 -3.5209 -3.5209 1.1569 1.1569 2.1024 2.1024 8.5682 8.5682 8.7732 8.7732 9.2420 9.2420 10.1400 10.1400 20.7607 20.7607 21.3384 21.3384 22.0100 22.0100 22.4168 22.4168 k = 0.0000 0.5000 0.1987 ( 772 PWs) bands (ev): -5.5947 -5.5947 -3.4818 -3.4818 1.0458 1.0458 2.0138 2.0138 8.6912 8.6912 8.8960 8.8960 9.2467 9.2467 10.1468 10.1468 20.7594 20.7594 21.2966 21.2966 21.9624 21.9624 22.3429 22.3429 k = 0.0000 0.5000 0.2067 ( 772 PWs) bands (ev): -5.5792 -5.5792 -3.4420 -3.4420 0.9375 0.9375 1.9288 1.9288 8.8106 8.8106 9.0153 9.0153 9.2514 9.2514 10.1535 10.1535 20.7561 20.7561 21.2518 21.2518 21.9160 21.9160 22.2733 22.2733 k = 0.0000 0.5000 0.2146 ( 772 PWs) bands (ev): -5.5639 -5.5639 -3.4016 -3.4016 0.8319 0.8319 1.8477 1.8477 8.9260 8.9260 9.1309 9.1309 9.2560 9.2560 10.1601 10.1601 20.7506 20.7506 21.2045 21.2045 21.8710 21.8710 22.2083 22.2083 k = 0.0000 0.5000 0.2226 ( 764 PWs) bands (ev): -5.5489 -5.5489 -3.3608 -3.3608 0.7294 0.7294 1.7704 1.7704 9.0372 9.0372 9.2421 9.2421 9.2609 9.2609 10.1665 10.1665 20.7430 20.7430 21.1556 21.1556 21.8277 21.8277 22.1482 22.1482 k = 0.0000 0.5000 0.2305 ( 764 PWs) bands (ev): -5.5342 -5.5342 -3.3200 -3.3200 0.6302 0.6302 1.6971 1.6971 9.1437 9.1437 9.2648 9.2648 9.3497 9.3497 10.1728 10.1728 20.7329 20.7329 21.1055 21.1055 21.7860 21.7860 22.0932 22.0932 k = 0.0000 0.5000 0.2385 ( 764 PWs) bands (ev): -5.5199 -5.5199 -3.2792 -3.2792 0.5346 0.5346 1.6279 1.6279 9.2447 9.2447 9.2697 9.2697 9.4519 9.4519 10.1788 10.1788 20.7205 20.7205 21.0550 21.0550 21.7463 21.7463 22.0434 22.0434 k = 0.0000 0.5000 0.2464 ( 764 PWs) bands (ev): -5.5061 -5.5061 -3.2387 -3.2387 0.4430 0.4430 1.5629 1.5629 9.2725 9.2725 9.3423 9.3423 9.5490 9.5490 10.1846 10.1846 20.7060 20.7060 21.0049 21.0049 21.7087 21.7087 21.9989 21.9989 k = 0.0000 0.5000 0.2544 ( 764 PWs) bands (ev): -5.4930 -5.4930 -3.1989 -3.1989 0.3556 0.3556 1.5022 1.5022 9.2765 9.2765 9.4330 9.4330 9.6406 9.6406 10.1901 10.1901 20.6897 20.6897 20.9556 20.9556 21.6733 21.6733 21.9596 21.9596 k = 0.0000 0.5000 0.2623 ( 760 PWs) bands (ev): -5.4805 -5.4805 -3.1600 -3.1600 0.2729 0.2729 1.4459 1.4459 9.2802 9.2802 9.5180 9.5180 9.7264 9.7264 10.1953 10.1953 20.6720 20.6720 20.9080 20.9080 21.6403 21.6403 21.9253 21.9253 k = 0.0000 0.5000 0.2702 ( 760 PWs) bands (ev): -5.4688 -5.4688 -3.1224 -3.1224 0.1952 0.1952 1.3941 1.3941 9.2835 9.2835 9.5969 9.5969 9.8060 9.8060 10.2002 10.2002 20.6532 20.6532 20.8625 20.8625 21.6097 21.6097 21.8958 21.8958 k = 0.0000 0.5000 0.2782 ( 760 PWs) bands (ev): -5.4579 -5.4579 -3.0865 -3.0865 0.1228 0.1228 1.3470 1.3470 9.2866 9.2866 9.6693 9.6693 9.8792 9.8792 10.2046 10.2046 20.6339 20.6339 20.8197 20.8197 21.5817 21.5817 21.8708 21.8708 k = 0.0000 0.5000 0.2861 ( 760 PWs) bands (ev): -5.4480 -5.4480 -3.0527 -3.0527 0.0564 0.0564 1.3045 1.3045 9.2894 9.2894 9.7350 9.7350 9.9455 9.9455 10.2087 10.2087 20.6147 20.6147 20.7801 20.7801 21.5564 21.5564 21.8497 21.8497 k = 0.0000 0.5000 0.2941 ( 760 PWs) bands (ev): -5.4390 -5.4390 -3.0214 -3.0214 -0.0038 -0.0038 1.2668 1.2668 9.2919 9.2919 9.7937 9.7937 10.0049 10.0049 10.2123 10.2123 20.5962 20.5962 20.7441 20.7441 21.5338 21.5338 21.8323 21.8323 k = 0.0000 0.5000 0.3020 ( 764 PWs) bands (ev): -5.4311 -5.4311 -2.9930 -2.9930 -0.0572 -0.0572 1.2340 1.2340 9.2940 9.2940 9.8450 9.8450 10.0568 10.0568 10.2155 10.2155 20.5789 20.5789 20.7121 20.7121 21.5141 21.5141 21.8181 21.8181 k = 0.0000 0.5000 0.3100 ( 768 PWs) bands (ev): -5.4244 -5.4244 -2.9681 -2.9681 -0.1034 -0.1034 1.2061 1.2061 9.2959 9.2959 9.8888 9.8888 10.1011 10.1011 10.2183 10.2183 20.5631 20.5631 20.6843 20.6843 21.4973 21.4973 21.8068 21.8068 k = 0.0000 0.5000 0.3179 ( 772 PWs) bands (ev): -5.4187 -5.4187 -2.9470 -2.9470 -0.1419 -0.1419 1.1832 1.1832 9.2974 9.2974 9.9249 9.9249 10.1377 10.1377 10.2206 10.2206 20.5497 20.5497 20.6612 20.6612 21.4834 21.4834 21.7979 21.7979 k = 0.0000 0.5000 0.3259 ( 772 PWs) bands (ev): -5.4143 -5.4143 -2.9301 -2.9301 -0.1723 -0.1723 1.1654 1.1654 9.2986 9.2986 9.9532 9.9532 10.1663 10.1663 10.2224 10.2224 20.5388 20.5388 20.6430 20.6430 21.4726 21.4726 21.7914 21.7914 k = 0.0000 0.5000 0.3338 ( 772 PWs) bands (ev): -5.4111 -5.4111 -2.9178 -2.9178 -0.1943 -0.1943 1.1526 1.1526 9.2994 9.2994 9.9736 9.9736 10.1868 10.1868 10.2238 10.2238 20.5309 20.5309 20.6299 20.6299 21.4649 21.4649 21.7869 21.7869 k = 0.0000 0.5000 0.3418 ( 772 PWs) bands (ev): -5.4092 -5.4092 -2.9103 -2.9103 -0.2076 -0.2076 1.1449 1.1449 9.3001 9.3001 9.9858 9.9858 10.1991 10.1991 10.2247 10.2247 20.5260 20.5260 20.6220 20.6220 21.4602 21.4602 21.7844 21.7844 k = 0.0000 0.5000 0.3497 ( 776 PWs) bands (ev): -5.4086 -5.4086 -2.9077 -2.9077 -0.2121 -0.2121 1.1423 1.1423 9.3002 9.3002 9.9899 9.9899 10.2031 10.2031 10.2250 10.2250 20.5242 20.5242 20.6193 20.6193 21.4587 21.4587 21.7835 21.7835 k = 0.5000-0.0000 0.3497 ( 776 PWs) bands (ev): -6.3184 -6.3184 -0.7251 -0.7251 -0.5773 -0.5773 0.8939 0.8939 7.6396 7.6396 8.9683 8.9683 10.6237 10.6237 12.8002 12.8002 17.3693 17.3693 19.4514 19.4514 20.8285 20.8285 22.2222 22.2222 k = 0.5000-0.0000 0.3418 ( 772 PWs) bands (ev): -6.3193 -6.3193 -0.7295 -0.7295 -0.5746 -0.5746 0.9002 0.9002 7.6395 7.6395 8.9639 8.9639 10.6205 10.6205 12.7999 12.7999 17.3713 17.3713 19.4525 19.4525 20.8297 20.8297 22.2214 22.2214 k = 0.5000-0.0000 0.3338 ( 772 PWs) bands (ev): -6.3218 -6.3218 -0.7426 -0.7426 -0.5664 -0.5664 0.9190 0.9190 7.6389 7.6389 8.9506 8.9506 10.6107 10.6107 12.7988 12.7988 17.3771 17.3771 19.4557 19.4557 20.8332 20.8332 22.2187 22.2187 k = 0.5000-0.0000 0.3259 ( 772 PWs) bands (ev): -6.3259 -6.3259 -0.7638 -0.7638 -0.5527 -0.5527 0.9498 0.9498 7.6380 7.6380 8.9286 8.9286 10.5943 10.5943 12.7971 12.7971 17.3869 17.3869 19.4611 19.4611 20.8392 20.8392 22.2142 22.2142 k = 0.5000-0.0000 0.3179 ( 772 PWs) bands (ev): -6.3317 -6.3317 -0.7922 -0.7922 -0.5335 -0.5335 0.9915 0.9915 7.6368 7.6368 8.8980 8.8980 10.5715 10.5715 12.7948 12.7948 17.4004 17.4004 19.4687 19.4687 20.8476 20.8476 22.2080 22.2080 k = 0.5000-0.0000 0.3100 ( 768 PWs) bands (ev): -6.3390 -6.3390 -0.8267 -0.8267 -0.5091 -0.5091 1.0431 1.0431 7.6353 7.6353 8.8589 8.8589 10.5423 10.5423 12.7918 12.7918 17.4174 17.4174 19.4785 19.4785 20.8585 20.8585 22.2001 22.2001 k = 0.5000-0.0000 0.3020 ( 764 PWs) bands (ev): -6.3478 -6.3478 -0.8663 -0.8663 -0.4793 -0.4793 1.1036 1.1036 7.6334 7.6334 8.8117 8.8117 10.5069 10.5069 12.7881 12.7881 17.4375 17.4375 19.4902 19.4902 20.8722 20.8722 22.1906 22.1906 k = 0.5000-0.0000 0.2941 ( 760 PWs) bands (ev): -6.3580 -6.3580 -0.9099 -0.9099 -0.4443 -0.4443 1.1719 1.1719 7.6312 7.6312 8.7565 8.7565 10.4651 10.4651 12.7839 12.7839 17.4606 17.4606 19.5040 19.5040 20.8885 20.8885 22.1796 22.1796 k = 0.5000-0.0000 0.2861 ( 760 PWs) bands (ev): -6.3696 -6.3696 -0.9566 -0.9566 -0.4042 -0.4042 1.2471 1.2471 7.6287 7.6287 8.6935 8.6935 10.4173 10.4173 12.7790 12.7790 17.4862 17.4862 19.5198 19.5198 20.9077 20.9077 22.1671 22.1671 k = 0.5000-0.0000 0.2782 ( 760 PWs) bands (ev): -6.3824 -6.3824 -1.0056 -1.0056 -0.3591 -0.3591 1.3282 1.3282 7.6259 7.6259 8.6232 8.6232 10.3636 10.3636 12.7736 12.7736 17.5140 17.5140 19.5374 19.5374 20.9299 20.9299 22.1532 22.1532 k = 0.5000-0.0000 0.2702 ( 760 PWs) bands (ev): -6.3964 -6.3964 -1.0562 -1.0562 -0.3091 -0.3091 1.4147 1.4147 7.6228 7.6228 8.5459 8.5459 10.3040 10.3040 12.7677 12.7677 17.5436 17.5436 19.5569 19.5569 20.9552 20.9552 22.1381 22.1381 k = 0.5000-0.0000 0.2623 ( 760 PWs) bands (ev): -6.4114 -6.4114 -1.1078 -1.1078 -0.2544 -0.2544 1.5059 1.5059 7.6195 7.6195 8.4619 8.4619 10.2389 10.2389 12.7612 12.7612 17.5746 17.5746 19.5782 19.5782 20.9837 20.9837 22.1219 22.1219 k = 0.5000-0.0000 0.2544 ( 764 PWs) bands (ev): -6.4273 -6.4273 -1.1599 -1.1599 -0.1950 -0.1950 1.6013 1.6013 7.6159 7.6159 8.3716 8.3716 10.1683 10.1683 12.7543 12.7543 17.6066 17.6066 19.6010 19.6010 21.0157 21.0157 22.1046 22.1046 k = 0.5000-0.0000 0.2464 ( 764 PWs) bands (ev): -6.4441 -6.4441 -1.2121 -1.2121 -0.1312 -0.1312 1.7004 1.7004 7.6120 7.6120 8.2754 8.2754 10.0924 10.0924 12.7471 12.7471 17.6392 17.6392 19.6254 19.6254 21.0512 21.0512 22.0865 22.0865 k = 0.5000-0.0000 0.2385 ( 764 PWs) bands (ev): -6.4616 -6.4616 -1.2641 -1.2641 -0.0630 -0.0630 1.8029 1.8029 7.6080 7.6080 8.1737 8.1737 10.0115 10.0115 12.7394 12.7394 17.6720 17.6720 19.6514 19.6514 21.0903 21.0903 22.0676 22.0676 k = 0.5000-0.0000 0.2305 ( 764 PWs) bands (ev): -6.4797 -6.4797 -1.3155 -1.3155 0.0094 0.0094 1.9086 1.9086 7.6038 7.6038 8.0669 8.0669 9.9258 9.9258 12.7314 12.7314 17.7046 17.7046 19.6787 19.6787 21.1332 21.1332 22.0482 22.0482 k = 0.5000-0.0000 0.2226 ( 764 PWs) bands (ev): -6.4983 -6.4983 -1.3663 -1.3663 0.0858 0.0858 2.0170 2.0170 7.5995 7.5995 7.9553 7.9553 9.8355 9.8355 12.7231 12.7231 17.7368 17.7368 19.7072 19.7072 21.1799 21.1799 22.0282 22.0282 k = 0.5000-0.0000 0.2146 ( 772 PWs) bands (ev): -6.5173 -6.5173 -1.4161 -1.4161 0.1660 0.1660 2.1280 2.1280 7.5950 7.5950 7.8393 7.8393 9.7407 9.7407 12.7146 12.7146 17.7682 17.7682 19.7367 19.7367 21.2303 21.2303 22.0078 22.0078 k = 0.5000-0.0000 0.2067 ( 772 PWs) bands (ev): -6.5365 -6.5365 -1.4649 -1.4649 0.2499 0.2499 2.2414 2.2414 7.5903 7.5903 7.7194 7.7194 9.6418 9.6418 12.7058 12.7058 17.7985 17.7985 19.7674 19.7674 21.2846 21.2846 21.9872 21.9872 k = 0.5000-0.0000 0.1987 ( 772 PWs) bands (ev): -6.5559 -6.5559 -1.5124 -1.5124 0.3374 0.3374 2.3570 2.3570 7.5839 7.5839 7.5975 7.5975 9.5390 9.5390 12.6970 12.6970 17.8276 17.8276 19.7989 19.7989 21.3427 21.3427 21.9665 21.9665 k = 0.5000-0.0000 0.1908 ( 768 PWs) bands (ev): -6.5753 -6.5753 -1.5585 -1.5585 0.4284 0.4284 2.4747 2.4747 7.4686 7.4686 7.5812 7.5812 9.4325 9.4325 12.6880 12.6880 17.8554 17.8554 19.8310 19.8310 21.4046 21.4046 21.9458 21.9458 k = 0.5000-0.0000 0.1828 ( 768 PWs) bands (ev): -6.5947 -6.5947 -1.6033 -1.6033 0.5224 0.5224 2.5941 2.5941 7.3388 7.3388 7.5764 7.5764 9.3226 9.3226 12.6790 12.6790 17.8815 17.8815 19.8638 19.8638 21.4700 21.4700 21.9252 21.9252 k = 0.5000-0.0000 0.1749 ( 770 PWs) bands (ev): -6.6139 -6.6139 -1.6465 -1.6465 0.6195 0.6195 2.7152 2.7152 7.2063 7.2063 7.5716 7.5716 9.2095 9.2095 12.6700 12.6700 17.9060 17.9060 19.8970 19.8970 21.5387 21.5387 21.9047 21.9047 k = 0.5000-0.0000 0.1669 ( 770 PWs) bands (ev): -6.6329 -6.6329 -1.6881 -1.6881 0.7195 0.7195 2.8378 2.8378 7.0717 7.0717 7.5668 7.5668 9.0935 9.0935 12.6610 12.6610 17.9287 17.9287 19.9303 19.9303 21.6106 21.6106 21.8846 21.8846 k = 0.5000-0.0000 0.1590 ( 772 PWs) bands (ev): -6.6516 -6.6516 -1.7280 -1.7280 0.8220 0.8220 2.9618 2.9618 6.9351 6.9351 7.5620 7.5620 8.9749 8.9749 12.6521 12.6521 17.9496 17.9496 19.9637 19.9637 21.6855 21.6855 21.8648 21.8648 k = 0.5000-0.0000 0.1510 ( 772 PWs) bands (ev): -6.6698 -6.6698 -1.7663 -1.7663 0.9270 0.9270 3.0870 3.0870 6.7970 6.7970 7.5573 7.5573 8.8540 8.8540 12.6433 12.6433 17.9688 17.9688 19.9970 19.9970 21.7630 21.7630 21.8456 21.8456 k = 0.5000-0.0000 0.1431 ( 772 PWs) bands (ev): -6.6876 -6.6876 -1.8027 -1.8027 1.0342 1.0342 3.2132 3.2132 6.6576 6.6576 7.5527 7.5527 8.7309 8.7309 12.6347 12.6347 17.9862 17.9862 20.0299 20.0299 21.8265 21.8265 21.8431 21.8431 k = 0.5000-0.0000 0.1351 ( 772 PWs) bands (ev): -6.7048 -6.7048 -1.8374 -1.8374 1.1433 1.1433 3.3403 3.3403 6.5175 6.5175 7.5482 7.5482 8.6062 8.6062 12.6263 12.6263 18.0020 18.0020 20.0625 20.0625 21.8087 21.8087 21.9246 21.9246 k = 0.5000-0.0000 0.1272 ( 768 PWs) bands (ev): -6.7214 -6.7214 -1.8703 -1.8703 1.2542 1.2542 3.4680 3.4680 6.3768 6.3768 7.5439 7.5439 8.4800 8.4800 12.6181 12.6181 18.0163 18.0163 20.0945 20.0945 21.7914 21.7914 22.0077 22.0077 k = 0.5000-0.0000 0.1192 ( 770 PWs) bands (ev): -6.7373 -6.7373 -1.9013 -1.9013 1.3665 1.3665 3.5961 3.5961 6.2361 6.2361 7.5397 7.5397 8.3527 8.3527 12.6103 12.6103 18.0289 18.0289 20.1256 20.1256 21.7748 21.7748 22.0919 22.0919 k = 0.5000-0.0000 0.1113 ( 772 PWs) bands (ev): -6.7524 -6.7524 -1.9304 -1.9304 1.4798 1.4798 3.7242 3.7242 6.0957 6.0957 7.5356 7.5356 8.2247 8.2247 12.6027 12.6027 18.0402 18.0402 20.1557 20.1557 21.7590 21.7590 22.1765 22.1765 k = 0.5000-0.0000 0.1033 ( 772 PWs) bands (ev): -6.7667 -6.7667 -1.9575 -1.9575 1.5939 1.5939 3.8522 3.8522 5.9561 5.9561 7.5317 7.5317 8.0965 8.0965 12.5955 12.5955 18.0501 18.0501 20.1846 20.1846 21.7441 21.7441 22.2610 22.2610 k = 0.5000-0.0000 0.0954 ( 772 PWs) bands (ev): -6.7801 -6.7801 -1.9828 -1.9828 1.7082 1.7082 3.9796 3.9796 5.8179 5.8179 7.5281 7.5281 7.9684 7.9684 12.5888 12.5888 18.0588 18.0588 20.2122 20.2122 21.7301 21.7301 22.3447 22.3447 k = 0.5000-0.0000 0.0874 ( 770 PWs) bands (ev): -6.7926 -6.7926 -2.0060 -2.0060 1.8221 1.8221 4.1058 4.1058 5.6817 5.6817 7.5246 7.5246 7.8412 7.8412 12.5824 12.5824 18.0664 18.0664 20.2382 20.2382 21.7172 21.7172 22.4271 22.4271 k = 0.5000-0.0000 0.0795 ( 770 PWs) bands (ev): -6.8042 -6.8042 -2.0273 -2.0273 1.9351 1.9351 4.2305 4.2305 5.5482 5.5482 7.5214 7.5214 7.7154 7.7154 12.5765 12.5765 18.0730 18.0730 20.2626 20.2626 21.7052 21.7052 22.5071 22.5071 k = 0.5000-0.0000 0.0715 ( 770 PWs) bands (ev): -6.8148 -6.8148 -2.0466 -2.0466 2.0463 2.0463 4.3527 4.3527 5.4182 5.4182 7.5184 7.5184 7.5919 7.5919 12.5711 12.5711 18.0786 18.0786 20.2852 20.2852 21.6942 21.6942 22.5840 22.5840 k = 0.5000-0.0000 0.0636 ( 762 PWs) bands (ev): -6.8244 -6.8244 -2.0639 -2.0639 2.1547 2.1547 4.4716 4.4716 5.2930 5.2930 7.4716 7.4716 7.5160 7.5160 12.5662 12.5662 18.0834 18.0834 20.3059 20.3059 21.6845 21.6845 22.6570 22.6570 k = 0.5000-0.0000 0.0556 ( 766 PWs) bands (ev): -6.8329 -6.8329 -2.0792 -2.0792 2.2590 2.2590 4.5858 4.5858 5.1736 5.1736 7.3560 7.3560 7.5135 7.5135 12.5618 12.5618 18.0873 18.0873 20.3244 20.3244 21.6757 21.6757 22.7249 22.7249 k = 0.5000-0.0000 0.0477 ( 766 PWs) bands (ev): -6.8403 -6.8403 -2.0925 -2.0925 2.3575 2.3575 4.6939 4.6939 5.0620 5.0620 7.2466 7.2466 7.5114 7.5114 12.5580 12.5580 18.0907 18.0907 20.3408 20.3408 21.6680 21.6680 22.7867 22.7867 k = 0.5000-0.0000 0.0397 ( 766 PWs) bands (ev): -6.8466 -6.8466 -2.1037 -2.1037 2.4483 2.4483 4.7936 4.7936 4.9600 4.9600 7.1456 7.1456 7.5096 7.5096 12.5547 12.5547 18.0934 18.0934 20.3548 20.3548 21.6615 21.6615 22.8415 22.8415 k = 0.5000-0.0000 0.0318 ( 766 PWs) bands (ev): -6.8518 -6.8518 -2.1129 -2.1129 2.5289 2.5289 4.8699 4.8699 4.8830 4.8830 7.0557 7.0557 7.5082 7.5082 12.5520 12.5520 18.0955 18.0955 20.3664 20.3664 21.6561 21.6561 22.8881 22.8881 k = 0.5000-0.0000 0.0238 ( 766 PWs) bands (ev): -6.8559 -6.8559 -2.1201 -2.1201 2.5965 2.5965 4.7956 4.7956 4.9575 4.9575 6.9799 6.9799 7.5070 7.5070 12.5499 12.5499 18.0971 18.0971 20.3755 20.3755 21.6520 21.6520 22.9256 22.9256 k = 0.5000-0.0000 0.0159 ( 762 PWs) bands (ev): -6.8588 -6.8588 -2.1252 -2.1252 2.6478 2.6478 4.7391 4.7391 5.0148 5.0148 6.9220 6.9220 7.5062 7.5062 12.5484 12.5484 18.0983 18.0983 20.3820 20.3820 21.6490 21.6490 22.9531 22.9531 k = 0.5000-0.0000 0.0079 ( 766 PWs) bands (ev): -6.8605 -6.8605 -2.1283 -2.1283 2.6800 2.6800 4.7037 4.7037 5.0510 5.0510 6.8855 6.8855 7.5057 7.5057 12.5475 12.5475 18.0989 18.0989 20.3860 20.3860 21.6472 21.6472 22.9698 22.9698 k = 0.5000-0.0000-0.0000 ( 766 PWs) bands (ev): -6.8611 -6.8611 -2.1293 -2.1293 2.6910 2.6910 4.6917 4.6917 5.0634 5.0634 6.8729 6.8729 7.5055 7.5055 12.5472 12.5472 18.0991 18.0991 20.3873 20.3873 21.6466 21.6466 22.9755 22.9755 k = 0.5000 0.5000-0.0000 ( 776 PWs) bands (ev): -4.0776 -4.0776 -0.6541 -0.6541 1.0923 1.0923 3.0996 3.0996 5.4700 5.4700 5.6949 5.6949 7.8641 7.8641 7.9208 7.9208 15.5545 15.5545 17.1347 17.1347 18.0073 18.0073 21.2469 21.2469 k = 0.5000 0.5000 0.0079 ( 776 PWs) bands (ev): -4.0772 -4.0772 -0.6535 -0.6535 1.0931 1.0931 3.1003 3.1003 5.4679 5.4679 5.6927 5.6927 7.8612 7.8612 7.9189 7.9189 15.5591 15.5591 17.1390 17.1390 18.0125 18.0125 21.2509 21.2509 k = 0.5000 0.5000 0.0159 ( 776 PWs) bands (ev): -4.0762 -4.0762 -0.6516 -0.6516 1.0953 1.0953 3.1026 3.1026 5.4615 5.4615 5.6861 5.6861 7.8525 7.8525 7.9130 7.9130 15.5727 15.5727 17.1520 17.1520 18.0280 18.0280 21.2631 21.2631 k = 0.5000 0.5000 0.0238 ( 776 PWs) bands (ev): -4.0745 -4.0745 -0.6484 -0.6484 1.0989 1.0989 3.1064 3.1064 5.4510 5.4510 5.6751 5.6751 7.8382 7.8382 7.9033 7.9033 15.5954 15.5954 17.1734 17.1734 18.0538 18.0538 21.2833 21.2833 k = 0.5000 0.5000 0.0318 ( 776 PWs) bands (ev): -4.0721 -4.0721 -0.6439 -0.6439 1.1040 1.1040 3.1117 3.1117 5.4363 5.4363 5.6598 5.6598 7.8183 7.8183 7.8897 7.8897 15.6271 15.6271 17.2034 17.2034 18.0897 18.0897 21.3115 21.3115 k = 0.5000 0.5000 0.0397 ( 776 PWs) bands (ev): -4.0691 -4.0691 -0.6382 -0.6382 1.1106 1.1106 3.1184 3.1184 5.4177 5.4177 5.6404 5.6404 7.7929 7.7929 7.8723 7.8723 15.6676 15.6676 17.2417 17.2417 18.1357 18.1357 21.3477 21.3477 k = 0.5000 0.5000 0.0477 ( 776 PWs) bands (ev): -4.0655 -4.0655 -0.6312 -0.6312 1.1186 1.1186 3.1267 3.1267 5.3953 5.3953 5.6169 5.6169 7.7623 7.7623 7.8513 7.8513 15.7168 15.7168 17.2883 17.2883 18.1915 18.1915 21.3917 21.3917 k = 0.5000 0.5000 0.0556 ( 776 PWs) bands (ev): -4.0612 -4.0612 -0.6231 -0.6231 1.1280 1.1280 3.1364 3.1364 5.3692 5.3692 5.5895 5.5895 7.7268 7.7268 7.8267 7.8267 15.7745 15.7745 17.3430 17.3430 18.2569 18.2569 21.4434 21.4434 k = 0.5000 0.5000 0.0636 ( 776 PWs) bands (ev): -4.0562 -4.0562 -0.6137 -0.6137 1.1387 1.1387 3.1475 3.1475 5.3397 5.3397 5.5584 5.5584 7.6864 7.6864 7.7987 7.7987 15.8405 15.8405 17.4056 17.4056 18.3315 18.3315 21.5028 21.5028 k = 0.5000 0.5000 0.0715 ( 776 PWs) bands (ev): -4.0507 -4.0507 -0.6031 -0.6031 1.1509 1.1509 3.1601 3.1601 5.3069 5.3069 5.5237 5.5237 7.6417 7.6417 7.7673 7.7673 15.9145 15.9145 17.4759 17.4759 18.4152 18.4152 21.5696 21.5696 k = 0.5000 0.5000 0.0795 ( 776 PWs) bands (ev): -4.0446 -4.0446 -0.5914 -0.5914 1.1643 1.1643 3.1741 3.1741 5.2711 5.2711 5.4857 5.4857 7.5927 7.5927 7.7328 7.7328 15.9963 15.9963 17.5538 17.5538 18.5077 18.5077 21.6437 21.6437 k = 0.5000 0.5000 0.0874 ( 776 PWs) bands (ev): -4.0380 -4.0380 -0.5786 -0.5786 1.1791 1.1791 3.1895 3.1895 5.2327 5.2327 5.4446 5.4446 7.5400 7.5400 7.6953 7.6953 16.0856 16.0856 17.6389 17.6389 18.6085 18.6085 21.7249 21.7249 k = 0.5000 0.5000 0.0954 ( 768 PWs) bands (ev): -4.0309 -4.0309 -0.5647 -0.5647 1.1951 1.1951 3.2063 3.2063 5.1918 5.1918 5.4006 5.4006 7.4837 7.4837 7.6550 7.6550 16.1823 16.1823 17.7312 17.7312 18.7175 18.7175 21.8132 21.8132 k = 0.5000 0.5000 0.1033 ( 768 PWs) bands (ev): -4.0232 -4.0232 -0.5498 -0.5498 1.2123 1.2123 3.2244 3.2244 5.1486 5.1486 5.3540 5.3540 7.4242 7.4242 7.6121 7.6121 16.2859 16.2859 17.8301 17.8301 18.8341 18.8341 21.9081 21.9081 k = 0.5000 0.5000 0.1113 ( 760 PWs) bands (ev): -4.0151 -4.0151 -0.5339 -0.5339 1.2308 1.2308 3.2438 3.2438 5.1035 5.1035 5.3050 5.3050 7.3620 7.3620 7.5667 7.5667 16.3960 16.3960 17.9356 17.9356 18.9581 18.9581 22.0095 22.0095 k = 0.5000 0.5000 0.1192 ( 768 PWs) bands (ev): -4.0066 -4.0066 -0.5170 -0.5170 1.2502 1.2502 3.2644 3.2644 5.0566 5.0566 5.2539 5.2539 7.2973 7.2973 7.5191 7.5191 16.5125 16.5125 18.0473 18.0473 19.0891 19.0891 22.1173 22.1173 k = 0.5000 0.5000 0.1272 ( 768 PWs) bands (ev): -3.9978 -3.9978 -0.4993 -0.4993 1.2708 1.2708 3.2862 3.2862 5.0084 5.0084 5.2010 5.2010 7.2305 7.2305 7.4694 7.4694 16.6350 16.6350 18.1649 18.1649 19.2267 19.2267 22.2312 22.2312 k = 0.5000 0.5000 0.1351 ( 768 PWs) bands (ev): -3.9885 -3.9885 -0.4808 -0.4808 1.2924 1.2924 3.3092 3.3092 4.9592 4.9592 5.1466 5.1466 7.1619 7.1619 7.4180 7.4180 16.7631 16.7631 18.2883 18.2883 19.3706 19.3706 22.3509 22.3509 k = 0.5000 0.5000 0.1431 ( 768 PWs) bands (ev): -3.9790 -3.9790 -0.4615 -0.4615 1.3149 1.3149 3.3333 3.3333 4.9092 4.9092 5.0908 5.0908 7.0920 7.0920 7.3649 7.3649 16.8966 16.8966 18.4170 18.4170 19.5204 19.5204 22.4763 22.4763 k = 0.5000 0.5000 0.1510 ( 760 PWs) bands (ev): -3.9692 -3.9692 -0.4415 -0.4415 1.3382 1.3382 3.3584 3.3584 4.8588 4.8588 5.0341 5.0341 7.0210 7.0210 7.3104 7.3104 17.0352 17.0352 18.5510 18.5510 19.6759 19.6759 22.6072 22.6072 k = 0.5000 0.5000 0.1590 ( 760 PWs) bands (ev): -3.9592 -3.9592 -0.4209 -0.4209 1.3623 1.3623 3.3845 3.3845 4.8080 4.8080 4.9766 4.9766 6.9492 6.9492 7.2548 7.2548 17.1784 17.1784 18.6897 18.6897 19.8365 19.8365 22.7431 22.7431 k = 0.5000 0.5000 0.1669 ( 760 PWs) bands (ev): -3.9491 -3.9491 -0.3998 -0.3998 1.3871 1.3871 3.4114 3.4114 4.7572 4.7572 4.9187 4.9187 6.8770 6.8770 7.1983 7.1983 17.3259 17.3259 18.8328 18.8328 20.0020 20.0020 22.8840 22.8840 k = 0.5000 0.5000 0.1749 ( 760 PWs) bands (ev): -3.9388 -3.9388 -0.3782 -0.3782 1.4125 1.4125 3.4392 3.4392 4.7066 4.7066 4.8606 4.8606 6.8048 6.8048 7.1411 7.1411 17.4774 17.4774 18.9802 18.9802 20.1719 20.1719 23.0295 23.0295 k = 0.5000 0.5000 0.1828 ( 768 PWs) bands (ev): -3.9285 -3.9285 -0.3564 -0.3564 1.4383 1.4383 3.4677 3.4677 4.6565 4.6565 4.8025 4.8025 6.7328 6.7328 7.0833 7.0833 17.6325 17.6325 19.1316 19.1316 20.3460 20.3460 23.1794 23.1794 k = 0.5000 0.5000 0.1908 ( 768 PWs) bands (ev): -3.9182 -3.9182 -0.3342 -0.3342 1.4645 1.4645 3.4968 3.4968 4.6071 4.6071 4.7448 4.7448 6.6614 6.6614 7.0254 7.0254 17.7909 17.7909 19.2865 19.2865 20.5239 20.5239 23.3335 23.3335 k = 0.5000 0.5000 0.1987 ( 768 PWs) bands (ev): -3.9079 -3.9079 -0.3119 -0.3119 1.4910 1.4910 3.5265 3.5265 4.5587 4.5587 4.6877 4.6877 6.5909 6.5909 6.9676 6.9676 17.9521 17.9521 19.4448 19.4448 20.7051 20.7051 23.4915 23.4915 k = 0.5000 0.5000 0.2067 ( 776 PWs) bands (ev): -3.8978 -3.8978 -0.2896 -0.2896 1.5175 1.5175 3.5565 3.5565 4.5113 4.5113 4.6315 4.6315 6.5215 6.5215 6.9100 6.9100 18.1158 18.1158 19.6061 19.6061 20.8894 20.8894 23.6531 23.6531 k = 0.5000 0.5000 0.2146 ( 776 PWs) bands (ev): -3.8877 -3.8877 -0.2674 -0.2674 1.5441 1.5441 3.5867 3.5867 4.4654 4.4654 4.5765 4.5765 6.4536 6.4536 6.8531 6.8531 18.2816 18.2816 19.7701 19.7701 21.0763 21.0763 23.8180 23.8180 k = 0.5000 0.5000 0.2226 ( 776 PWs) bands (ev): -3.8779 -3.8779 -0.2454 -0.2454 1.5704 1.5704 3.6171 3.6171 4.4211 4.4211 4.5229 4.5229 6.3876 6.3876 6.7969 6.7969 18.4490 18.4490 19.9364 19.9364 21.2654 21.2654 23.9860 23.9860 k = 0.5000 0.5000 0.2305 ( 772 PWs) bands (ev): -3.8684 -3.8684 -0.2237 -0.2237 1.5965 1.5965 3.6474 3.6474 4.3784 4.3784 4.4709 4.4709 6.3236 6.3236 6.7419 6.7419 18.6174 18.6174 20.1048 20.1048 21.4561 21.4561 24.1566 24.1566 k = 0.5000 0.5000 0.2385 ( 772 PWs) bands (ev): -3.8591 -3.8591 -0.2025 -0.2025 1.6220 1.6220 3.6775 3.6775 4.3377 4.3377 4.4209 4.4209 6.2619 6.2619 6.6882 6.6882 18.7864 18.7864 20.2748 20.2748 21.6481 21.6481 24.3297 24.3297 k = 0.5000 0.5000 0.2464 ( 772 PWs) bands (ev): -3.8503 -3.8503 -0.1820 -0.1820 1.6469 1.6469 3.7070 3.7070 4.2991 4.2991 4.3730 4.3730 6.2030 6.2030 6.6361 6.6361 18.9553 18.9553 20.4460 20.4460 21.8406 21.8406 24.5048 24.5048 k = 0.5000 0.5000 0.2544 ( 772 PWs) bands (ev): -3.8418 -3.8418 -0.1622 -0.1622 1.6710 1.6710 3.7360 3.7360 4.2627 4.2627 4.3275 4.3275 6.1470 6.1470 6.5861 6.5861 19.1234 19.1234 20.6180 20.6180 22.0330 22.0330 24.6375 24.6375 k = 0.5000 0.5000 0.2623 ( 772 PWs) bands (ev): -3.8339 -3.8339 -0.1433 -0.1433 1.6940 1.6940 3.7640 3.7640 4.2287 4.2287 4.2846 4.2846 6.0942 6.0942 6.5383 6.5383 19.2898 19.2898 20.7902 20.7902 22.2245 22.2245 24.4872 24.4872 k = 0.5000 0.5000 0.2702 ( 772 PWs) bands (ev): -3.8264 -3.8264 -0.1254 -0.1254 1.7158 1.7158 3.7909 3.7909 4.1972 4.1972 4.2446 4.2446 6.0449 6.0449 6.4932 6.4932 19.4535 19.4535 20.9621 20.9621 22.4141 22.4141 24.3379 24.3379 k = 0.5000 0.5000 0.2782 ( 772 PWs) bands (ev): -3.8195 -3.8195 -0.1087 -0.1087 1.7363 1.7363 3.8163 3.8163 4.1683 4.1683 4.2076 4.2076 5.9994 5.9994 6.4509 6.4509 19.6133 19.6133 21.1328 21.1328 22.6007 22.6007 24.1911 24.1911 k = 0.5000 0.5000 0.2861 ( 772 PWs) bands (ev): -3.8132 -3.8132 -0.0934 -0.0934 1.7552 1.7552 3.8401 3.8401 4.1422 4.1422 4.1740 4.1740 5.9578 5.9578 6.4120 6.4120 19.7678 19.7678 21.3016 21.3016 22.7827 22.7827 24.0482 24.0482 k = 0.5000 0.5000 0.2941 ( 764 PWs) bands (ev): -3.8076 -3.8076 -0.0795 -0.0795 1.7724 1.7724 3.8621 3.8621 4.1189 4.1189 4.1438 4.1438 5.9206 5.9206 6.3767 6.3767 19.9152 19.9152 21.4672 21.4672 22.9582 22.9582 23.9111 23.9111 k = 0.5000 0.5000 0.3020 ( 764 PWs) bands (ev): -3.8026 -3.8026 -0.0672 -0.0672 1.7876 1.7876 3.8817 3.8817 4.0985 4.0985 4.1173 4.1173 5.8878 5.8878 6.3452 6.3452 20.0531 20.0531 21.6277 21.6277 23.1247 23.1247 23.7819 23.7819 k = 0.5000 0.5000 0.3100 ( 764 PWs) bands (ev): -3.7983 -3.7983 -0.0565 -0.0565 1.8008 1.8008 3.8989 3.8989 4.0811 4.0811 4.0946 4.0946 5.8597 5.8597 6.3180 6.3180 20.1790 20.1790 21.7808 21.7808 23.2790 23.2790 23.6634 23.6634 k = 0.5000 0.5000 0.3179 ( 764 PWs) bands (ev): -3.7948 -3.7948 -0.0477 -0.0477 1.8118 1.8118 3.9133 3.9133 4.0668 4.0668 4.0758 4.0758 5.8364 5.8364 6.2953 6.2953 20.2896 20.2896 21.9229 21.9229 23.4169 23.4169 23.5587 23.5587 k = 0.5000 0.5000 0.3259 ( 764 PWs) bands (ev): -3.7921 -3.7921 -0.0407 -0.0407 1.8205 1.8205 3.9248 3.9248 4.0556 4.0556 4.0611 4.0611 5.8182 5.8182 6.2774 6.2774 20.3813 20.3813 22.0488 22.0488 23.4716 23.4716 23.5336 23.5336 k = 0.5000 0.5000 0.3338 ( 768 PWs) bands (ev): -3.7901 -3.7901 -0.0357 -0.0357 1.8268 1.8268 3.9331 3.9331 4.0474 4.0474 4.0506 4.0506 5.8050 5.8050 6.2644 6.2644 20.4504 20.4504 22.1506 22.1506 23.4057 23.4057 23.6231 23.6231 k = 0.5000 0.5000 0.3418 ( 768 PWs) bands (ev): -3.7889 -3.7889 -0.0326 -0.0326 1.8306 1.8306 3.9381 3.9381 4.0423 4.0423 4.0444 4.0444 5.7971 5.7971 6.2565 6.2565 20.4935 20.4935 22.2184 22.2184 23.3645 23.3645 23.6352 23.6352 k = 0.5000 0.5000 0.3497 ( 768 PWs) bands (ev): -3.7885 -3.7885 -0.0316 -0.0316 1.8319 1.8319 3.9398 3.9398 4.0406 4.0406 4.0424 4.0424 5.7945 5.7945 6.2539 6.2539 20.5082 20.5082 22.2424 22.2424 23.3505 23.3505 23.6129 23.6129 Writing output data file BC2N.save init_run : 2.31s CPU 11.27s WALL ( 1 calls) electrons : 164.64s CPU 169.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.16s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 164.61s CPU 168.93s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.91s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.50s WALL ( 1 calls) newd : 0.19s CPU 0.38s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 692 calls) cegterg : 132.15s CPU 133.44s WALL ( 926 calls) Called by sum_band: Called by *egterg: h_psi : 62.04s CPU 67.69s WALL ( 15282 calls) s_psi : 1.64s CPU 3.22s WALL ( 15282 calls) g_psi : 0.02s CPU 0.11s WALL ( 13664 calls) cdiaghg : 49.23s CPU 48.08s WALL ( 14356 calls) cegterg:over : 12.36s CPU 9.97s WALL ( 13664 calls) cegterg:upda : 0.16s CPU 0.85s WALL ( 13664 calls) cegterg:last : 0.14s CPU 0.66s WALL ( 2788 calls) Called by h_psi: h_psi:vloc : 50.53s CPU 57.47s WALL ( 15282 calls) h_psi:vnl : 11.49s CPU 10.10s WALL ( 15282 calls) add_vuspsi : 0.56s CPU 2.28s WALL ( 15282 calls) General routines calbec : 10.90s CPU 7.66s WALL ( 15282 calls) fft : 0.26s CPU 1.15s WALL ( 19 calls) ffts : 0.05s CPU 0.11s WALL ( 4 calls) fftw : 49.07s CPU 55.30s WALL ( 839976 calls) interpolate : 0.05s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 0.73s WALL ( 1384 calls) Parallel routines fft_scatter : 37.52s CPU 42.48s WALL ( 839999 calls) PWSCF : 3m22.70s CPU 4m47.91s WALL This run was terminated on: 23:44:24 7Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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