Program PWSCF v.5.1.1 starts on 9Oct2015 at 16:29:19 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 2 318 114 24 Max 13 7 3 323 137 29 Sum 593 319 101 15347 6031 1169 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 4.7289 a.u. unit-cell volume = 153.1348 (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)= 4.728850 celldm(2)= 1.010230 celldm(3)= 1.433464 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 1.010230 0.000000 ) a(3) = ( 0.000000 0.000000 1.433464 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.989873 -0.000000 ) b(3) = ( 0.000000 0.000000 0.697611 ) 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 0.0078561 -0.0000000), wk = 0.0014451 k( 67) = ( 0.5000000 0.0157123 -0.0000000), wk = 0.0014451 k( 68) = ( 0.5000000 0.0235684 -0.0000000), wk = 0.0014451 k( 69) = ( 0.5000000 0.0314246 -0.0000000), wk = 0.0014451 k( 70) = ( 0.5000000 0.0392807 -0.0000000), wk = 0.0014451 k( 71) = ( 0.5000000 0.0471368 -0.0000000), wk = 0.0014451 k( 72) = ( 0.5000000 0.0549930 -0.0000000), wk = 0.0014451 k( 73) = ( 0.5000000 0.0628491 -0.0000000), wk = 0.0014451 k( 74) = ( 0.5000000 0.0707052 -0.0000000), wk = 0.0014451 k( 75) = ( 0.5000000 0.0785614 -0.0000000), wk = 0.0014451 k( 76) = ( 0.5000000 0.0864175 -0.0000000), wk = 0.0014451 k( 77) = ( 0.5000000 0.0942737 -0.0000000), wk = 0.0014451 k( 78) = ( 0.5000000 0.1021298 -0.0000000), wk = 0.0014451 k( 79) = ( 0.5000000 0.1099859 -0.0000000), wk = 0.0014451 k( 80) = ( 0.5000000 0.1178421 -0.0000000), wk = 0.0014451 k( 81) = ( 0.5000000 0.1256982 -0.0000000), wk = 0.0014451 k( 82) = ( 0.5000000 0.1335543 -0.0000000), wk = 0.0014451 k( 83) = ( 0.5000000 0.1414105 -0.0000000), wk = 0.0014451 k( 84) = ( 0.5000000 0.1492666 -0.0000000), wk = 0.0014451 k( 85) = ( 0.5000000 0.1571228 -0.0000000), wk = 0.0014451 k( 86) = ( 0.5000000 0.1649789 -0.0000000), wk = 0.0014451 k( 87) = ( 0.5000000 0.1728350 -0.0000000), wk = 0.0014451 k( 88) = ( 0.5000000 0.1806912 -0.0000000), wk = 0.0014451 k( 89) = ( 0.5000000 0.1885473 -0.0000000), wk = 0.0014451 k( 90) = ( 0.5000000 0.1964035 -0.0000000), wk = 0.0014451 k( 91) = ( 0.5000000 0.2042596 -0.0000000), wk = 0.0014451 k( 92) = ( 0.5000000 0.2121157 -0.0000000), wk = 0.0014451 k( 93) = ( 0.5000000 0.2199719 -0.0000000), wk = 0.0014451 k( 94) = ( 0.5000000 0.2278280 -0.0000000), wk = 0.0014451 k( 95) = ( 0.5000000 0.2356841 -0.0000000), wk = 0.0014451 k( 96) = ( 0.5000000 0.2435403 -0.0000000), wk = 0.0014451 k( 97) = ( 0.5000000 0.2513964 -0.0000000), wk = 0.0014451 k( 98) = ( 0.5000000 0.2592526 -0.0000000), wk = 0.0014451 k( 99) = ( 0.5000000 0.2671087 -0.0000000), wk = 0.0014451 k( 100) = ( 0.5000000 0.2749648 -0.0000000), wk = 0.0014451 k( 101) = ( 0.5000000 0.2828210 -0.0000000), wk = 0.0014451 k( 102) = ( 0.5000000 0.2906771 -0.0000000), wk = 0.0014451 k( 103) = ( 0.5000000 0.2985333 -0.0000000), wk = 0.0014451 k( 104) = ( 0.5000000 0.3063894 -0.0000000), wk = 0.0014451 k( 105) = ( 0.5000000 0.3142455 -0.0000000), wk = 0.0014451 k( 106) = ( 0.5000000 0.3221017 -0.0000000), wk = 0.0014451 k( 107) = ( 0.5000000 0.3299578 -0.0000000), wk = 0.0014451 k( 108) = ( 0.5000000 0.3378139 -0.0000000), wk = 0.0014451 k( 109) = ( 0.5000000 0.3456701 -0.0000000), wk = 0.0014451 k( 110) = ( 0.5000000 0.3535262 -0.0000000), wk = 0.0014451 k( 111) = ( 0.5000000 0.3613824 -0.0000000), wk = 0.0014451 k( 112) = ( 0.5000000 0.3692385 -0.0000000), wk = 0.0014451 k( 113) = ( 0.5000000 0.3770946 -0.0000000), wk = 0.0014451 k( 114) = ( 0.5000000 0.3849508 -0.0000000), wk = 0.0014451 k( 115) = ( 0.5000000 0.3928069 -0.0000000), wk = 0.0014451 k( 116) = ( 0.5000000 0.4006630 -0.0000000), wk = 0.0014451 k( 117) = ( 0.5000000 0.4085192 -0.0000000), wk = 0.0014451 k( 118) = ( 0.5000000 0.4163753 -0.0000000), wk = 0.0014451 k( 119) = ( 0.5000000 0.4242315 -0.0000000), wk = 0.0014451 k( 120) = ( 0.5000000 0.4320876 -0.0000000), wk = 0.0014451 k( 121) = ( 0.5000000 0.4399437 -0.0000000), wk = 0.0014451 k( 122) = ( 0.5000000 0.4477999 -0.0000000), wk = 0.0014451 k( 123) = ( 0.5000000 0.4556560 -0.0000000), wk = 0.0014451 k( 124) = ( 0.5000000 0.4635122 -0.0000000), wk = 0.0014451 k( 125) = ( 0.5000000 0.4713683 -0.0000000), wk = 0.0014451 k( 126) = ( 0.5000000 0.4792244 -0.0000000), wk = 0.0014451 k( 127) = ( 0.5000000 0.4870806 -0.0000000), wk = 0.0014451 k( 128) = ( 0.5000000 0.4949367 -0.0000000), wk = 0.0014451 k( 129) = ( 0.5000000 0.4949367 -0.0000000), wk = 0.0014451 k( 130) = ( 0.4920635 0.4949367 -0.0000000), wk = 0.0014451 k( 131) = ( 0.4841270 0.4949367 -0.0000000), wk = 0.0014451 k( 132) = ( 0.4761905 0.4949367 -0.0000000), wk = 0.0014451 k( 133) = ( 0.4682540 0.4949367 -0.0000000), wk = 0.0014451 k( 134) = ( 0.4603175 0.4949367 -0.0000000), wk = 0.0014451 k( 135) = ( 0.4523810 0.4949367 -0.0000000), wk = 0.0014451 k( 136) = ( 0.4444444 0.4949367 -0.0000000), wk = 0.0014451 k( 137) = ( 0.4365079 0.4949367 -0.0000000), wk = 0.0014451 k( 138) = ( 0.4285714 0.4949367 -0.0000000), wk = 0.0014451 k( 139) = ( 0.4206349 0.4949367 -0.0000000), wk = 0.0014451 k( 140) = ( 0.4126984 0.4949367 -0.0000000), wk = 0.0014451 k( 141) = ( 0.4047619 0.4949367 -0.0000000), wk = 0.0014451 k( 142) = ( 0.3968254 0.4949367 -0.0000000), wk = 0.0014451 k( 143) = ( 0.3888889 0.4949367 -0.0000000), wk = 0.0014451 k( 144) = ( 0.3809524 0.4949367 -0.0000000), wk = 0.0014451 k( 145) = ( 0.3730159 0.4949367 -0.0000000), wk = 0.0014451 k( 146) = ( 0.3650794 0.4949367 -0.0000000), wk = 0.0014451 k( 147) = ( 0.3571429 0.4949367 -0.0000000), wk = 0.0014451 k( 148) = ( 0.3492063 0.4949367 -0.0000000), wk = 0.0014451 k( 149) = ( 0.3412698 0.4949367 -0.0000000), wk = 0.0014451 k( 150) = ( 0.3333333 0.4949367 -0.0000000), wk = 0.0014451 k( 151) = ( 0.3253968 0.4949367 -0.0000000), wk = 0.0014451 k( 152) = ( 0.3174603 0.4949367 -0.0000000), wk = 0.0014451 k( 153) = ( 0.3095238 0.4949367 -0.0000000), wk = 0.0014451 k( 154) = ( 0.3015873 0.4949367 -0.0000000), wk = 0.0014451 k( 155) = ( 0.2936508 0.4949367 -0.0000000), wk = 0.0014451 k( 156) = ( 0.2857143 0.4949367 -0.0000000), wk = 0.0014451 k( 157) = ( 0.2777778 0.4949367 -0.0000000), wk = 0.0014451 k( 158) = ( 0.2698413 0.4949367 -0.0000000), wk = 0.0014451 k( 159) = ( 0.2619048 0.4949367 -0.0000000), wk = 0.0014451 k( 160) = ( 0.2539683 0.4949367 -0.0000000), wk = 0.0014451 k( 161) = ( 0.2460317 0.4949367 -0.0000000), wk = 0.0014451 k( 162) = ( 0.2380952 0.4949367 -0.0000000), wk = 0.0014451 k( 163) = ( 0.2301587 0.4949367 -0.0000000), wk = 0.0014451 k( 164) = ( 0.2222222 0.4949367 -0.0000000), wk = 0.0014451 k( 165) = ( 0.2142857 0.4949367 -0.0000000), wk = 0.0014451 k( 166) = ( 0.2063492 0.4949367 -0.0000000), wk = 0.0014451 k( 167) = ( 0.1984127 0.4949367 -0.0000000), wk = 0.0014451 k( 168) = ( 0.1904762 0.4949367 -0.0000000), wk = 0.0014451 k( 169) = ( 0.1825397 0.4949367 -0.0000000), wk = 0.0014451 k( 170) = ( 0.1746032 0.4949367 -0.0000000), wk = 0.0014451 k( 171) = ( 0.1666667 0.4949367 -0.0000000), wk = 0.0014451 k( 172) = ( 0.1587302 0.4949367 -0.0000000), wk = 0.0014451 k( 173) = ( 0.1507937 0.4949367 -0.0000000), wk = 0.0014451 k( 174) = ( 0.1428571 0.4949367 -0.0000000), wk = 0.0014451 k( 175) = ( 0.1349206 0.4949367 -0.0000000), wk = 0.0014451 k( 176) = ( 0.1269841 0.4949367 -0.0000000), wk = 0.0014451 k( 177) = ( 0.1190476 0.4949367 -0.0000000), wk = 0.0014451 k( 178) = ( 0.1111111 0.4949367 -0.0000000), wk = 0.0014451 k( 179) = ( 0.1031746 0.4949367 -0.0000000), wk = 0.0014451 k( 180) = ( 0.0952381 0.4949367 -0.0000000), wk = 0.0014451 k( 181) = ( 0.0873016 0.4949367 -0.0000000), wk = 0.0014451 k( 182) = ( 0.0793651 0.4949367 -0.0000000), wk = 0.0014451 k( 183) = ( 0.0714286 0.4949367 -0.0000000), wk = 0.0014451 k( 184) = ( 0.0634921 0.4949367 -0.0000000), wk = 0.0014451 k( 185) = ( 0.0555556 0.4949367 -0.0000000), wk = 0.0014451 k( 186) = ( 0.0476191 0.4949367 -0.0000000), wk = 0.0014451 k( 187) = ( 0.0396825 0.4949367 -0.0000000), wk = 0.0014451 k( 188) = ( 0.0317460 0.4949367 -0.0000000), wk = 0.0014451 k( 189) = ( 0.0238095 0.4949367 -0.0000000), wk = 0.0014451 k( 190) = ( 0.0158730 0.4949367 -0.0000000), wk = 0.0014451 k( 191) = ( 0.0079365 0.4949367 -0.0000000), wk = 0.0014451 k( 192) = ( 0.0000000 0.4949367 -0.0000000), wk = 0.0014451 k( 193) = ( 0.0000000 0.4949367 -0.0000000), wk = 0.0014451 k( 194) = ( 0.0000000 0.4870806 -0.0000000), wk = 0.0014451 k( 195) = ( 0.0000000 0.4792244 -0.0000000), wk = 0.0014451 k( 196) = ( 0.0000000 0.4713683 -0.0000000), wk = 0.0014451 k( 197) = ( 0.0000000 0.4635122 -0.0000000), wk = 0.0014451 k( 198) = ( 0.0000000 0.4556560 -0.0000000), wk = 0.0014451 k( 199) = ( 0.0000000 0.4477999 -0.0000000), wk = 0.0014451 k( 200) = ( 0.0000000 0.4399437 -0.0000000), wk = 0.0014451 k( 201) = ( 0.0000000 0.4320876 -0.0000000), wk = 0.0014451 k( 202) = ( 0.0000000 0.4242315 -0.0000000), wk = 0.0014451 k( 203) = ( 0.0000000 0.4163753 -0.0000000), wk = 0.0014451 k( 204) = ( 0.0000000 0.4085192 -0.0000000), wk = 0.0014451 k( 205) = ( 0.0000000 0.4006630 -0.0000000), wk = 0.0014451 k( 206) = ( 0.0000000 0.3928069 -0.0000000), wk = 0.0014451 k( 207) = ( 0.0000000 0.3849508 -0.0000000), wk = 0.0014451 k( 208) = ( 0.0000000 0.3770946 -0.0000000), wk = 0.0014451 k( 209) = ( 0.0000000 0.3692385 -0.0000000), wk = 0.0014451 k( 210) = ( 0.0000000 0.3613824 -0.0000000), wk = 0.0014451 k( 211) = ( 0.0000000 0.3535262 -0.0000000), wk = 0.0014451 k( 212) = ( 0.0000000 0.3456701 -0.0000000), wk = 0.0014451 k( 213) = ( 0.0000000 0.3378139 -0.0000000), wk = 0.0014451 k( 214) = ( 0.0000000 0.3299578 -0.0000000), wk = 0.0014451 k( 215) = ( 0.0000000 0.3221017 -0.0000000), wk = 0.0014451 k( 216) = ( 0.0000000 0.3142455 -0.0000000), wk = 0.0014451 k( 217) = ( 0.0000000 0.3063894 -0.0000000), wk = 0.0014451 k( 218) = ( 0.0000000 0.2985333 -0.0000000), wk = 0.0014451 k( 219) = ( 0.0000000 0.2906771 -0.0000000), wk = 0.0014451 k( 220) = ( 0.0000000 0.2828210 -0.0000000), wk = 0.0014451 k( 221) = ( 0.0000000 0.2749648 -0.0000000), wk = 0.0014451 k( 222) = ( 0.0000000 0.2671087 -0.0000000), wk = 0.0014451 k( 223) = ( 0.0000000 0.2592526 -0.0000000), wk = 0.0014451 k( 224) = ( 0.0000000 0.2513964 -0.0000000), wk = 0.0014451 k( 225) = ( 0.0000000 0.2435403 -0.0000000), wk = 0.0014451 k( 226) = ( 0.0000000 0.2356841 -0.0000000), wk = 0.0014451 k( 227) = ( 0.0000000 0.2278280 -0.0000000), wk = 0.0014451 k( 228) = ( 0.0000000 0.2199719 -0.0000000), wk = 0.0014451 k( 229) = ( 0.0000000 0.2121157 -0.0000000), wk = 0.0014451 k( 230) = ( 0.0000000 0.2042596 -0.0000000), wk = 0.0014451 k( 231) = ( 0.0000000 0.1964035 -0.0000000), wk = 0.0014451 k( 232) = ( 0.0000000 0.1885473 -0.0000000), wk = 0.0014451 k( 233) = ( 0.0000000 0.1806912 -0.0000000), wk = 0.0014451 k( 234) = ( 0.0000000 0.1728350 -0.0000000), wk = 0.0014451 k( 235) = ( 0.0000000 0.1649789 -0.0000000), wk = 0.0014451 k( 236) = ( 0.0000000 0.1571228 -0.0000000), wk = 0.0014451 k( 237) = ( 0.0000000 0.1492666 -0.0000000), wk = 0.0014451 k( 238) = ( 0.0000000 0.1414105 -0.0000000), wk = 0.0014451 k( 239) = ( 0.0000000 0.1335543 -0.0000000), wk = 0.0014451 k( 240) = ( 0.0000000 0.1256982 -0.0000000), wk = 0.0014451 k( 241) = ( 0.0000000 0.1178421 -0.0000000), wk = 0.0014451 k( 242) = ( 0.0000000 0.1099859 -0.0000000), wk = 0.0014451 k( 243) = ( 0.0000000 0.1021298 -0.0000000), wk = 0.0014451 k( 244) = ( 0.0000000 0.0942737 -0.0000000), wk = 0.0014451 k( 245) = ( 0.0000000 0.0864175 -0.0000000), wk = 0.0014451 k( 246) = ( 0.0000000 0.0785614 -0.0000000), wk = 0.0014451 k( 247) = ( 0.0000000 0.0707052 -0.0000000), wk = 0.0014451 k( 248) = ( 0.0000000 0.0628491 -0.0000000), wk = 0.0014451 k( 249) = ( 0.0000000 0.0549930 -0.0000000), wk = 0.0014451 k( 250) = ( 0.0000000 0.0471368 -0.0000000), wk = 0.0014451 k( 251) = ( 0.0000000 0.0392807 -0.0000000), wk = 0.0014451 k( 252) = ( 0.0000000 0.0314246 -0.0000000), wk = 0.0014451 k( 253) = ( 0.0000000 0.0235684 -0.0000000), wk = 0.0014451 k( 254) = ( 0.0000000 0.0157123 -0.0000000), wk = 0.0014451 k( 255) = ( 0.0000000 0.0078561 -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 0.0079274), wk = 0.0014451 k( 259) = ( 0.0000000 0.0000000 0.0158548), wk = 0.0014451 k( 260) = ( 0.0000000 0.0000000 0.0237822), wk = 0.0014451 k( 261) = ( 0.0000000 0.0000000 0.0317096), wk = 0.0014451 k( 262) = ( 0.0000000 0.0000000 0.0396370), wk = 0.0014451 k( 263) = ( 0.0000000 0.0000000 0.0475644), wk = 0.0014451 k( 264) = ( 0.0000000 0.0000000 0.0554918), wk = 0.0014451 k( 265) = ( 0.0000000 0.0000000 0.0634192), wk = 0.0014451 k( 266) = ( 0.0000000 0.0000000 0.0713466), wk = 0.0014451 k( 267) = ( 0.0000000 0.0000000 0.0792740), wk = 0.0014451 k( 268) = ( 0.0000000 0.0000000 0.0872014), wk = 0.0014451 k( 269) = ( 0.0000000 0.0000000 0.0951288), wk = 0.0014451 k( 270) = ( 0.0000000 0.0000000 0.1030562), wk = 0.0014451 k( 271) = ( 0.0000000 0.0000000 0.1109836), wk = 0.0014451 k( 272) = ( 0.0000000 0.0000000 0.1189109), wk = 0.0014451 k( 273) = ( 0.0000000 0.0000000 0.1268383), wk = 0.0014451 k( 274) = ( 0.0000000 0.0000000 0.1347657), wk = 0.0014451 k( 275) = ( 0.0000000 0.0000000 0.1426931), wk = 0.0014451 k( 276) = ( 0.0000000 0.0000000 0.1506205), wk = 0.0014451 k( 277) = ( 0.0000000 0.0000000 0.1585479), wk = 0.0014451 k( 278) = ( 0.0000000 0.0000000 0.1664753), wk = 0.0014451 k( 279) = ( 0.0000000 0.0000000 0.1744027), wk = 0.0014451 k( 280) = ( 0.0000000 0.0000000 0.1823301), wk = 0.0014451 k( 281) = ( 0.0000000 0.0000000 0.1902575), wk = 0.0014451 k( 282) = ( 0.0000000 0.0000000 0.1981849), wk = 0.0014451 k( 283) = ( 0.0000000 0.0000000 0.2061123), wk = 0.0014451 k( 284) = ( 0.0000000 0.0000000 0.2140397), wk = 0.0014451 k( 285) = ( 0.0000000 0.0000000 0.2219671), wk = 0.0014451 k( 286) = ( 0.0000000 0.0000000 0.2298945), wk = 0.0014451 k( 287) = ( 0.0000000 0.0000000 0.2378219), wk = 0.0014451 k( 288) = ( 0.0000000 0.0000000 0.2457493), wk = 0.0014451 k( 289) = ( 0.0000000 0.0000000 0.2536767), wk = 0.0014451 k( 290) = ( 0.0000000 0.0000000 0.2616041), wk = 0.0014451 k( 291) = ( 0.0000000 0.0000000 0.2695315), wk = 0.0014451 k( 292) = ( 0.0000000 0.0000000 0.2774589), wk = 0.0014451 k( 293) = ( 0.0000000 0.0000000 0.2853863), wk = 0.0014451 k( 294) = ( 0.0000000 0.0000000 0.2933137), wk = 0.0014451 k( 295) = ( 0.0000000 0.0000000 0.3012411), wk = 0.0014451 k( 296) = ( 0.0000000 0.0000000 0.3091685), wk = 0.0014451 k( 297) = ( 0.0000000 0.0000000 0.3170959), wk = 0.0014451 k( 298) = ( 0.0000000 0.0000000 0.3250233), wk = 0.0014451 k( 299) = ( 0.0000000 0.0000000 0.3329507), wk = 0.0014451 k( 300) = ( 0.0000000 0.0000000 0.3408780), wk = 0.0014451 k( 301) = ( 0.0000000 0.0000000 0.3488054), wk = 0.0014451 k( 302) = ( 0.0000000 0.0000000 0.3488054), wk = 0.0014451 k( 303) = ( 0.0079365 -0.0000000 0.3488054), wk = 0.0014451 k( 304) = ( 0.0158730 -0.0000000 0.3488054), wk = 0.0014451 k( 305) = ( 0.0238095 -0.0000000 0.3488054), wk = 0.0014451 k( 306) = ( 0.0317460 -0.0000000 0.3488054), wk = 0.0014451 k( 307) = ( 0.0396825 -0.0000000 0.3488054), wk = 0.0014451 k( 308) = ( 0.0476191 -0.0000000 0.3488054), wk = 0.0014451 k( 309) = ( 0.0555556 -0.0000000 0.3488054), wk = 0.0014451 k( 310) = ( 0.0634921 -0.0000000 0.3488054), wk = 0.0014451 k( 311) = ( 0.0714286 -0.0000000 0.3488054), wk = 0.0014451 k( 312) = ( 0.0793651 -0.0000000 0.3488054), wk = 0.0014451 k( 313) = ( 0.0873016 -0.0000000 0.3488054), wk = 0.0014451 k( 314) = ( 0.0952381 -0.0000000 0.3488054), wk = 0.0014451 k( 315) = ( 0.1031746 -0.0000000 0.3488054), wk = 0.0014451 k( 316) = ( 0.1111111 -0.0000000 0.3488054), wk = 0.0014451 k( 317) = ( 0.1190476 -0.0000000 0.3488054), wk = 0.0014451 k( 318) = ( 0.1269841 -0.0000000 0.3488054), wk = 0.0014451 k( 319) = ( 0.1349206 -0.0000000 0.3488054), wk = 0.0014451 k( 320) = ( 0.1428571 -0.0000000 0.3488054), wk = 0.0014451 k( 321) = ( 0.1507937 -0.0000000 0.3488054), wk = 0.0014451 k( 322) = ( 0.1587302 -0.0000000 0.3488054), wk = 0.0014451 k( 323) = ( 0.1666667 -0.0000000 0.3488054), wk = 0.0014451 k( 324) = ( 0.1746032 -0.0000000 0.3488054), wk = 0.0014451 k( 325) = ( 0.1825397 -0.0000000 0.3488054), wk = 0.0014451 k( 326) = ( 0.1904762 -0.0000000 0.3488054), wk = 0.0014451 k( 327) = ( 0.1984127 -0.0000000 0.3488054), wk = 0.0014451 k( 328) = ( 0.2063492 -0.0000000 0.3488054), wk = 0.0014451 k( 329) = ( 0.2142857 -0.0000000 0.3488054), wk = 0.0014451 k( 330) = ( 0.2222222 -0.0000000 0.3488054), wk = 0.0014451 k( 331) = ( 0.2301587 -0.0000000 0.3488054), wk = 0.0014451 k( 332) = ( 0.2380952 -0.0000000 0.3488054), wk = 0.0014451 k( 333) = ( 0.2460317 -0.0000000 0.3488054), wk = 0.0014451 k( 334) = ( 0.2539683 -0.0000000 0.3488054), wk = 0.0014451 k( 335) = ( 0.2619048 -0.0000000 0.3488054), wk = 0.0014451 k( 336) = ( 0.2698413 -0.0000000 0.3488054), wk = 0.0014451 k( 337) = ( 0.2777778 -0.0000000 0.3488054), wk = 0.0014451 k( 338) = ( 0.2857143 -0.0000000 0.3488054), wk = 0.0014451 k( 339) = ( 0.2936508 -0.0000000 0.3488054), wk = 0.0014451 k( 340) = ( 0.3015873 -0.0000000 0.3488054), wk = 0.0014451 k( 341) = ( 0.3095238 -0.0000000 0.3488054), wk = 0.0014451 k( 342) = ( 0.3174603 -0.0000000 0.3488054), wk = 0.0014451 k( 343) = ( 0.3253968 -0.0000000 0.3488054), wk = 0.0014451 k( 344) = ( 0.3333333 -0.0000000 0.3488054), wk = 0.0014451 k( 345) = ( 0.3412698 -0.0000000 0.3488054), wk = 0.0014451 k( 346) = ( 0.3492063 -0.0000000 0.3488054), wk = 0.0014451 k( 347) = ( 0.3571429 -0.0000000 0.3488054), wk = 0.0014451 k( 348) = ( 0.3650794 -0.0000000 0.3488054), wk = 0.0014451 k( 349) = ( 0.3730159 -0.0000000 0.3488054), wk = 0.0014451 k( 350) = ( 0.3809524 -0.0000000 0.3488054), wk = 0.0014451 k( 351) = ( 0.3888889 -0.0000000 0.3488054), wk = 0.0014451 k( 352) = ( 0.3968254 -0.0000000 0.3488054), wk = 0.0014451 k( 353) = ( 0.4047619 -0.0000000 0.3488054), wk = 0.0014451 k( 354) = ( 0.4126984 -0.0000000 0.3488054), wk = 0.0014451 k( 355) = ( 0.4206349 -0.0000000 0.3488054), wk = 0.0014451 k( 356) = ( 0.4285714 -0.0000000 0.3488054), wk = 0.0014451 k( 357) = ( 0.4365079 -0.0000000 0.3488054), wk = 0.0014451 k( 358) = ( 0.4444444 -0.0000000 0.3488054), wk = 0.0014451 k( 359) = ( 0.4523810 -0.0000000 0.3488054), wk = 0.0014451 k( 360) = ( 0.4603175 -0.0000000 0.3488054), wk = 0.0014451 k( 361) = ( 0.4682540 -0.0000000 0.3488054), wk = 0.0014451 k( 362) = ( 0.4761905 -0.0000000 0.3488054), wk = 0.0014451 k( 363) = ( 0.4841270 -0.0000000 0.3488054), wk = 0.0014451 k( 364) = ( 0.4920635 -0.0000000 0.3488054), wk = 0.0014451 k( 365) = ( 0.5000000 -0.0000000 0.3488054), wk = 0.0014451 k( 366) = ( 0.5000000 -0.0000000 0.3488054), wk = 0.0014451 k( 367) = ( 0.5000000 0.0078561 0.3488054), wk = 0.0014451 k( 368) = ( 0.5000000 0.0157123 0.3488054), wk = 0.0014451 k( 369) = ( 0.5000000 0.0235684 0.3488054), wk = 0.0014451 k( 370) = ( 0.5000000 0.0314246 0.3488054), wk = 0.0014451 k( 371) = ( 0.5000000 0.0392807 0.3488054), wk = 0.0014451 k( 372) = ( 0.5000000 0.0471368 0.3488054), wk = 0.0014451 k( 373) = ( 0.5000000 0.0549930 0.3488054), wk = 0.0014451 k( 374) = ( 0.5000000 0.0628491 0.3488054), wk = 0.0014451 k( 375) = ( 0.5000000 0.0707052 0.3488054), wk = 0.0014451 k( 376) = ( 0.5000000 0.0785614 0.3488054), wk = 0.0014451 k( 377) = ( 0.5000000 0.0864175 0.3488054), wk = 0.0014451 k( 378) = ( 0.5000000 0.0942737 0.3488054), wk = 0.0014451 k( 379) = ( 0.5000000 0.1021298 0.3488054), wk = 0.0014451 k( 380) = ( 0.5000000 0.1099859 0.3488054), wk = 0.0014451 k( 381) = ( 0.5000000 0.1178421 0.3488054), wk = 0.0014451 k( 382) = ( 0.5000000 0.1256982 0.3488054), wk = 0.0014451 k( 383) = ( 0.5000000 0.1335543 0.3488054), wk = 0.0014451 k( 384) = ( 0.5000000 0.1414105 0.3488054), wk = 0.0014451 k( 385) = ( 0.5000000 0.1492666 0.3488054), wk = 0.0014451 k( 386) = ( 0.5000000 0.1571228 0.3488054), wk = 0.0014451 k( 387) = ( 0.5000000 0.1649789 0.3488054), wk = 0.0014451 k( 388) = ( 0.5000000 0.1728350 0.3488054), wk = 0.0014451 k( 389) = ( 0.5000000 0.1806912 0.3488054), wk = 0.0014451 k( 390) = ( 0.5000000 0.1885473 0.3488054), wk = 0.0014451 k( 391) = ( 0.5000000 0.1964035 0.3488054), wk = 0.0014451 k( 392) = ( 0.5000000 0.2042596 0.3488054), wk = 0.0014451 k( 393) = ( 0.5000000 0.2121157 0.3488054), wk = 0.0014451 k( 394) = ( 0.5000000 0.2199719 0.3488054), wk = 0.0014451 k( 395) = ( 0.5000000 0.2278280 0.3488054), wk = 0.0014451 k( 396) = ( 0.5000000 0.2356841 0.3488054), wk = 0.0014451 k( 397) = ( 0.5000000 0.2435403 0.3488054), wk = 0.0014451 k( 398) = ( 0.5000000 0.2513964 0.3488054), wk = 0.0014451 k( 399) = ( 0.5000000 0.2592526 0.3488054), wk = 0.0014451 k( 400) = ( 0.5000000 0.2671087 0.3488054), wk = 0.0014451 k( 401) = ( 0.5000000 0.2749648 0.3488054), wk = 0.0014451 k( 402) = ( 0.5000000 0.2828210 0.3488054), wk = 0.0014451 k( 403) = ( 0.5000000 0.2906771 0.3488054), wk = 0.0014451 k( 404) = ( 0.5000000 0.2985333 0.3488054), wk = 0.0014451 k( 405) = ( 0.5000000 0.3063894 0.3488054), wk = 0.0014451 k( 406) = ( 0.5000000 0.3142455 0.3488054), wk = 0.0014451 k( 407) = ( 0.5000000 0.3221017 0.3488054), wk = 0.0014451 k( 408) = ( 0.5000000 0.3299578 0.3488054), wk = 0.0014451 k( 409) = ( 0.5000000 0.3378139 0.3488054), wk = 0.0014451 k( 410) = ( 0.5000000 0.3456701 0.3488054), wk = 0.0014451 k( 411) = ( 0.5000000 0.3535262 0.3488054), wk = 0.0014451 k( 412) = ( 0.5000000 0.3613824 0.3488054), wk = 0.0014451 k( 413) = ( 0.5000000 0.3692385 0.3488054), wk = 0.0014451 k( 414) = ( 0.5000000 0.3770946 0.3488054), wk = 0.0014451 k( 415) = ( 0.5000000 0.3849508 0.3488054), wk = 0.0014451 k( 416) = ( 0.5000000 0.3928069 0.3488054), wk = 0.0014451 k( 417) = ( 0.5000000 0.4006630 0.3488054), wk = 0.0014451 k( 418) = ( 0.5000000 0.4085192 0.3488054), wk = 0.0014451 k( 419) = ( 0.5000000 0.4163753 0.3488054), wk = 0.0014451 k( 420) = ( 0.5000000 0.4242315 0.3488054), wk = 0.0014451 k( 421) = ( 0.5000000 0.4320876 0.3488054), wk = 0.0014451 k( 422) = ( 0.5000000 0.4399437 0.3488054), wk = 0.0014451 k( 423) = ( 0.5000000 0.4477999 0.3488054), wk = 0.0014451 k( 424) = ( 0.5000000 0.4556560 0.3488054), wk = 0.0014451 k( 425) = ( 0.5000000 0.4635122 0.3488054), wk = 0.0014451 k( 426) = ( 0.5000000 0.4713683 0.3488054), wk = 0.0014451 k( 427) = ( 0.5000000 0.4792244 0.3488054), wk = 0.0014451 k( 428) = ( 0.5000000 0.4870806 0.3488054), wk = 0.0014451 k( 429) = ( 0.5000000 0.4949367 0.3488054), wk = 0.0014451 k( 430) = ( 0.5000000 0.4949367 0.3488054), wk = 0.0014451 k( 431) = ( 0.4920635 0.4949367 0.3488054), wk = 0.0014451 k( 432) = ( 0.4841270 0.4949367 0.3488054), wk = 0.0014451 k( 433) = ( 0.4761905 0.4949367 0.3488054), wk = 0.0014451 k( 434) = ( 0.4682540 0.4949367 0.3488054), wk = 0.0014451 k( 435) = ( 0.4603175 0.4949367 0.3488054), wk = 0.0014451 k( 436) = ( 0.4523810 0.4949367 0.3488054), wk = 0.0014451 k( 437) = ( 0.4444444 0.4949367 0.3488054), wk = 0.0014451 k( 438) = ( 0.4365079 0.4949367 0.3488054), wk = 0.0014451 k( 439) = ( 0.4285714 0.4949367 0.3488054), wk = 0.0014451 k( 440) = ( 0.4206349 0.4949367 0.3488054), wk = 0.0014451 k( 441) = ( 0.4126984 0.4949367 0.3488054), wk = 0.0014451 k( 442) = ( 0.4047619 0.4949367 0.3488054), wk = 0.0014451 k( 443) = ( 0.3968254 0.4949367 0.3488054), wk = 0.0014451 k( 444) = ( 0.3888889 0.4949367 0.3488054), wk = 0.0014451 k( 445) = ( 0.3809524 0.4949367 0.3488054), wk = 0.0014451 k( 446) = ( 0.3730159 0.4949367 0.3488054), wk = 0.0014451 k( 447) = ( 0.3650794 0.4949367 0.3488054), wk = 0.0014451 k( 448) = ( 0.3571429 0.4949367 0.3488054), wk = 0.0014451 k( 449) = ( 0.3492063 0.4949367 0.3488054), wk = 0.0014451 k( 450) = ( 0.3412698 0.4949367 0.3488054), wk = 0.0014451 k( 451) = ( 0.3333333 0.4949367 0.3488054), wk = 0.0014451 k( 452) = ( 0.3253968 0.4949367 0.3488054), wk = 0.0014451 k( 453) = ( 0.3174603 0.4949367 0.3488054), wk = 0.0014451 k( 454) = ( 0.3095238 0.4949367 0.3488054), wk = 0.0014451 k( 455) = ( 0.3015873 0.4949367 0.3488054), wk = 0.0014451 k( 456) = ( 0.2936508 0.4949367 0.3488054), wk = 0.0014451 k( 457) = ( 0.2857143 0.4949367 0.3488054), wk = 0.0014451 k( 458) = ( 0.2777778 0.4949367 0.3488054), wk = 0.0014451 k( 459) = ( 0.2698413 0.4949367 0.3488054), wk = 0.0014451 k( 460) = ( 0.2619048 0.4949367 0.3488054), wk = 0.0014451 k( 461) = ( 0.2539683 0.4949367 0.3488054), wk = 0.0014451 k( 462) = ( 0.2460317 0.4949367 0.3488054), wk = 0.0014451 k( 463) = ( 0.2380952 0.4949367 0.3488054), wk = 0.0014451 k( 464) = ( 0.2301587 0.4949367 0.3488054), wk = 0.0014451 k( 465) = ( 0.2222222 0.4949367 0.3488054), wk = 0.0014451 k( 466) = ( 0.2142857 0.4949367 0.3488054), wk = 0.0014451 k( 467) = ( 0.2063492 0.4949367 0.3488054), wk = 0.0014451 k( 468) = ( 0.1984127 0.4949367 0.3488054), wk = 0.0014451 k( 469) = ( 0.1904762 0.4949367 0.3488054), wk = 0.0014451 k( 470) = ( 0.1825397 0.4949367 0.3488054), wk = 0.0014451 k( 471) = ( 0.1746032 0.4949367 0.3488054), wk = 0.0014451 k( 472) = ( 0.1666667 0.4949367 0.3488054), wk = 0.0014451 k( 473) = ( 0.1587302 0.4949367 0.3488054), wk = 0.0014451 k( 474) = ( 0.1507937 0.4949367 0.3488054), wk = 0.0014451 k( 475) = ( 0.1428571 0.4949367 0.3488054), wk = 0.0014451 k( 476) = ( 0.1349206 0.4949367 0.3488054), wk = 0.0014451 k( 477) = ( 0.1269841 0.4949367 0.3488054), wk = 0.0014451 k( 478) = ( 0.1190476 0.4949367 0.3488054), wk = 0.0014451 k( 479) = ( 0.1111111 0.4949367 0.3488054), wk = 0.0014451 k( 480) = ( 0.1031746 0.4949367 0.3488054), wk = 0.0014451 k( 481) = ( 0.0952381 0.4949367 0.3488054), wk = 0.0014451 k( 482) = ( 0.0873016 0.4949367 0.3488054), wk = 0.0014451 k( 483) = ( 0.0793651 0.4949367 0.3488054), wk = 0.0014451 k( 484) = ( 0.0714286 0.4949367 0.3488054), wk = 0.0014451 k( 485) = ( 0.0634921 0.4949367 0.3488054), wk = 0.0014451 k( 486) = ( 0.0555556 0.4949367 0.3488054), wk = 0.0014451 k( 487) = ( 0.0476191 0.4949367 0.3488054), wk = 0.0014451 k( 488) = ( 0.0396825 0.4949367 0.3488054), wk = 0.0014451 k( 489) = ( 0.0317460 0.4949367 0.3488054), wk = 0.0014451 k( 490) = ( 0.0238095 0.4949367 0.3488054), wk = 0.0014451 k( 491) = ( 0.0158730 0.4949367 0.3488054), wk = 0.0014451 k( 492) = ( 0.0079365 0.4949367 0.3488054), wk = 0.0014451 k( 493) = ( 0.0000000 0.4949367 0.3488054), wk = 0.0014451 k( 494) = ( 0.0000000 0.4949367 0.3488054), wk = 0.0014451 k( 495) = ( 0.0000000 0.4870806 0.3488054), wk = 0.0014451 k( 496) = ( 0.0000000 0.4792244 0.3488054), wk = 0.0014451 k( 497) = ( 0.0000000 0.4713683 0.3488054), wk = 0.0014451 k( 498) = ( 0.0000000 0.4635122 0.3488054), wk = 0.0014451 k( 499) = ( 0.0000000 0.4556560 0.3488054), wk = 0.0014451 k( 500) = ( 0.0000000 0.4477999 0.3488054), wk = 0.0014451 k( 501) = ( 0.0000000 0.4399437 0.3488054), wk = 0.0014451 k( 502) = ( 0.0000000 0.4320876 0.3488054), wk = 0.0014451 k( 503) = ( 0.0000000 0.4242315 0.3488054), wk = 0.0014451 k( 504) = ( 0.0000000 0.4163753 0.3488054), wk = 0.0014451 k( 505) = ( 0.0000000 0.4085192 0.3488054), wk = 0.0014451 k( 506) = ( 0.0000000 0.4006630 0.3488054), wk = 0.0014451 k( 507) = ( 0.0000000 0.3928069 0.3488054), wk = 0.0014451 k( 508) = ( 0.0000000 0.3849508 0.3488054), wk = 0.0014451 k( 509) = ( 0.0000000 0.3770946 0.3488054), wk = 0.0014451 k( 510) = ( 0.0000000 0.3692385 0.3488054), wk = 0.0014451 k( 511) = ( 0.0000000 0.3613824 0.3488054), wk = 0.0014451 k( 512) = ( 0.0000000 0.3535262 0.3488054), wk = 0.0014451 k( 513) = ( 0.0000000 0.3456701 0.3488054), wk = 0.0014451 k( 514) = ( 0.0000000 0.3378139 0.3488054), wk = 0.0014451 k( 515) = ( 0.0000000 0.3299578 0.3488054), wk = 0.0014451 k( 516) = ( 0.0000000 0.3221017 0.3488054), wk = 0.0014451 k( 517) = ( 0.0000000 0.3142455 0.3488054), wk = 0.0014451 k( 518) = ( 0.0000000 0.3063894 0.3488054), wk = 0.0014451 k( 519) = ( 0.0000000 0.2985333 0.3488054), wk = 0.0014451 k( 520) = ( 0.0000000 0.2906771 0.3488054), wk = 0.0014451 k( 521) = ( 0.0000000 0.2828210 0.3488054), wk = 0.0014451 k( 522) = ( 0.0000000 0.2749648 0.3488054), wk = 0.0014451 k( 523) = ( 0.0000000 0.2671087 0.3488054), wk = 0.0014451 k( 524) = ( 0.0000000 0.2592526 0.3488054), wk = 0.0014451 k( 525) = ( 0.0000000 0.2513964 0.3488054), wk = 0.0014451 k( 526) = ( 0.0000000 0.2435403 0.3488054), wk = 0.0014451 k( 527) = ( 0.0000000 0.2356841 0.3488054), wk = 0.0014451 k( 528) = ( 0.0000000 0.2278280 0.3488054), wk = 0.0014451 k( 529) = ( 0.0000000 0.2199719 0.3488054), wk = 0.0014451 k( 530) = ( 0.0000000 0.2121157 0.3488054), wk = 0.0014451 k( 531) = ( 0.0000000 0.2042596 0.3488054), wk = 0.0014451 k( 532) = ( 0.0000000 0.1964035 0.3488054), wk = 0.0014451 k( 533) = ( 0.0000000 0.1885473 0.3488054), wk = 0.0014451 k( 534) = ( 0.0000000 0.1806912 0.3488054), wk = 0.0014451 k( 535) = ( 0.0000000 0.1728350 0.3488054), wk = 0.0014451 k( 536) = ( 0.0000000 0.1649789 0.3488054), wk = 0.0014451 k( 537) = ( 0.0000000 0.1571228 0.3488054), wk = 0.0014451 k( 538) = ( 0.0000000 0.1492666 0.3488054), wk = 0.0014451 k( 539) = ( 0.0000000 0.1414105 0.3488054), wk = 0.0014451 k( 540) = ( 0.0000000 0.1335543 0.3488054), wk = 0.0014451 k( 541) = ( 0.0000000 0.1256982 0.3488054), wk = 0.0014451 k( 542) = ( 0.0000000 0.1178421 0.3488054), wk = 0.0014451 k( 543) = ( 0.0000000 0.1099859 0.3488054), wk = 0.0014451 k( 544) = ( 0.0000000 0.1021298 0.3488054), wk = 0.0014451 k( 545) = ( 0.0000000 0.0942737 0.3488054), wk = 0.0014451 k( 546) = ( 0.0000000 0.0864175 0.3488054), wk = 0.0014451 k( 547) = ( 0.0000000 0.0785614 0.3488054), wk = 0.0014451 k( 548) = ( 0.0000000 0.0707052 0.3488054), wk = 0.0014451 k( 549) = ( 0.0000000 0.0628491 0.3488054), wk = 0.0014451 k( 550) = ( 0.0000000 0.0549930 0.3488054), wk = 0.0014451 k( 551) = ( 0.0000000 0.0471368 0.3488054), wk = 0.0014451 k( 552) = ( 0.0000000 0.0392807 0.3488054), wk = 0.0014451 k( 553) = ( 0.0000000 0.0314246 0.3488054), wk = 0.0014451 k( 554) = ( 0.0000000 0.0235684 0.3488054), wk = 0.0014451 k( 555) = ( 0.0000000 0.0157123 0.3488054), wk = 0.0014451 k( 556) = ( 0.0000000 0.0078561 0.3488054), wk = 0.0014451 k( 557) = ( 0.0000000 0.0000000 0.3488054), wk = 0.0014451 k( 558) = ( 0.0000000 0.4949367 -0.0000000), wk = 0.0014451 k( 559) = ( 0.0000000 0.4949367 0.0079274), wk = 0.0014451 k( 560) = ( 0.0000000 0.4949367 0.0158548), wk = 0.0014451 k( 561) = ( 0.0000000 0.4949367 0.0237822), wk = 0.0014451 k( 562) = ( 0.0000000 0.4949367 0.0317096), wk = 0.0014451 k( 563) = ( 0.0000000 0.4949367 0.0396370), wk = 0.0014451 k( 564) = ( 0.0000000 0.4949367 0.0475644), wk = 0.0014451 k( 565) = ( 0.0000000 0.4949367 0.0554918), wk = 0.0014451 k( 566) = ( 0.0000000 0.4949367 0.0634192), wk = 0.0014451 k( 567) = ( 0.0000000 0.4949367 0.0713466), wk = 0.0014451 k( 568) = ( 0.0000000 0.4949367 0.0792740), wk = 0.0014451 k( 569) = ( 0.0000000 0.4949367 0.0872014), wk = 0.0014451 k( 570) = ( 0.0000000 0.4949367 0.0951288), wk = 0.0014451 k( 571) = ( 0.0000000 0.4949367 0.1030562), wk = 0.0014451 k( 572) = ( 0.0000000 0.4949367 0.1109836), wk = 0.0014451 k( 573) = ( 0.0000000 0.4949367 0.1189109), wk = 0.0014451 k( 574) = ( 0.0000000 0.4949367 0.1268383), wk = 0.0014451 k( 575) = ( 0.0000000 0.4949367 0.1347657), wk = 0.0014451 k( 576) = ( 0.0000000 0.4949367 0.1426931), wk = 0.0014451 k( 577) = ( 0.0000000 0.4949367 0.1506205), wk = 0.0014451 k( 578) = ( 0.0000000 0.4949367 0.1585479), wk = 0.0014451 k( 579) = ( 0.0000000 0.4949367 0.1664753), wk = 0.0014451 k( 580) = ( 0.0000000 0.4949367 0.1744027), wk = 0.0014451 k( 581) = ( 0.0000000 0.4949367 0.1823301), wk = 0.0014451 k( 582) = ( 0.0000000 0.4949367 0.1902575), wk = 0.0014451 k( 583) = ( 0.0000000 0.4949367 0.1981849), wk = 0.0014451 k( 584) = ( 0.0000000 0.4949367 0.2061123), wk = 0.0014451 k( 585) = ( 0.0000000 0.4949367 0.2140397), wk = 0.0014451 k( 586) = ( 0.0000000 0.4949367 0.2219671), wk = 0.0014451 k( 587) = ( 0.0000000 0.4949367 0.2298945), wk = 0.0014451 k( 588) = ( 0.0000000 0.4949367 0.2378219), wk = 0.0014451 k( 589) = ( 0.0000000 0.4949367 0.2457493), wk = 0.0014451 k( 590) = ( 0.0000000 0.4949367 0.2536767), wk = 0.0014451 k( 591) = ( 0.0000000 0.4949367 0.2616041), wk = 0.0014451 k( 592) = ( 0.0000000 0.4949367 0.2695315), wk = 0.0014451 k( 593) = ( 0.0000000 0.4949367 0.2774589), wk = 0.0014451 k( 594) = ( 0.0000000 0.4949367 0.2853863), wk = 0.0014451 k( 595) = ( 0.0000000 0.4949367 0.2933137), wk = 0.0014451 k( 596) = ( 0.0000000 0.4949367 0.3012411), wk = 0.0014451 k( 597) = ( 0.0000000 0.4949367 0.3091685), wk = 0.0014451 k( 598) = ( 0.0000000 0.4949367 0.3170959), wk = 0.0014451 k( 599) = ( 0.0000000 0.4949367 0.3250233), wk = 0.0014451 k( 600) = ( 0.0000000 0.4949367 0.3329507), wk = 0.0014451 k( 601) = ( 0.0000000 0.4949367 0.3408780), wk = 0.0014451 k( 602) = ( 0.0000000 0.4949367 0.3488054), wk = 0.0014451 k( 603) = ( 0.5000000 -0.0000000 0.3488054), wk = 0.0014451 k( 604) = ( 0.5000000 -0.0000000 0.3408780), wk = 0.0014451 k( 605) = ( 0.5000000 -0.0000000 0.3329507), wk = 0.0014451 k( 606) = ( 0.5000000 -0.0000000 0.3250233), wk = 0.0014451 k( 607) = ( 0.5000000 -0.0000000 0.3170959), wk = 0.0014451 k( 608) = ( 0.5000000 -0.0000000 0.3091685), wk = 0.0014451 k( 609) = ( 0.5000000 -0.0000000 0.3012411), wk = 0.0014451 k( 610) = ( 0.5000000 -0.0000000 0.2933137), wk = 0.0014451 k( 611) = ( 0.5000000 -0.0000000 0.2853863), wk = 0.0014451 k( 612) = ( 0.5000000 -0.0000000 0.2774589), wk = 0.0014451 k( 613) = ( 0.5000000 -0.0000000 0.2695315), wk = 0.0014451 k( 614) = ( 0.5000000 -0.0000000 0.2616041), wk = 0.0014451 k( 615) = ( 0.5000000 -0.0000000 0.2536767), wk = 0.0014451 k( 616) = ( 0.5000000 -0.0000000 0.2457493), wk = 0.0014451 k( 617) = ( 0.5000000 -0.0000000 0.2378219), wk = 0.0014451 k( 618) = ( 0.5000000 -0.0000000 0.2298945), wk = 0.0014451 k( 619) = ( 0.5000000 -0.0000000 0.2219671), wk = 0.0014451 k( 620) = ( 0.5000000 -0.0000000 0.2140397), wk = 0.0014451 k( 621) = ( 0.5000000 -0.0000000 0.2061123), wk = 0.0014451 k( 622) = ( 0.5000000 -0.0000000 0.1981849), wk = 0.0014451 k( 623) = ( 0.5000000 -0.0000000 0.1902575), wk = 0.0014451 k( 624) = ( 0.5000000 -0.0000000 0.1823301), wk = 0.0014451 k( 625) = ( 0.5000000 -0.0000000 0.1744027), wk = 0.0014451 k( 626) = ( 0.5000000 -0.0000000 0.1664753), wk = 0.0014451 k( 627) = ( 0.5000000 -0.0000000 0.1585479), wk = 0.0014451 k( 628) = ( 0.5000000 -0.0000000 0.1506205), wk = 0.0014451 k( 629) = ( 0.5000000 -0.0000000 0.1426931), wk = 0.0014451 k( 630) = ( 0.5000000 -0.0000000 0.1347657), wk = 0.0014451 k( 631) = ( 0.5000000 -0.0000000 0.1268383), wk = 0.0014451 k( 632) = ( 0.5000000 -0.0000000 0.1189109), wk = 0.0014451 k( 633) = ( 0.5000000 -0.0000000 0.1109836), wk = 0.0014451 k( 634) = ( 0.5000000 -0.0000000 0.1030562), wk = 0.0014451 k( 635) = ( 0.5000000 -0.0000000 0.0951288), wk = 0.0014451 k( 636) = ( 0.5000000 -0.0000000 0.0872014), wk = 0.0014451 k( 637) = ( 0.5000000 -0.0000000 0.0792740), wk = 0.0014451 k( 638) = ( 0.5000000 -0.0000000 0.0713466), wk = 0.0014451 k( 639) = ( 0.5000000 -0.0000000 0.0634192), wk = 0.0014451 k( 640) = ( 0.5000000 -0.0000000 0.0554918), wk = 0.0014451 k( 641) = ( 0.5000000 -0.0000000 0.0475644), wk = 0.0014451 k( 642) = ( 0.5000000 -0.0000000 0.0396370), wk = 0.0014451 k( 643) = ( 0.5000000 -0.0000000 0.0317096), wk = 0.0014451 k( 644) = ( 0.5000000 -0.0000000 0.0237822), wk = 0.0014451 k( 645) = ( 0.5000000 -0.0000000 0.0158548), wk = 0.0014451 k( 646) = ( 0.5000000 -0.0000000 0.0079274), wk = 0.0014451 k( 647) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0014451 k( 648) = ( 0.5000000 0.4949367 -0.0000000), wk = 0.0014451 k( 649) = ( 0.5000000 0.4949367 0.0079274), wk = 0.0014451 k( 650) = ( 0.5000000 0.4949367 0.0158548), wk = 0.0014451 k( 651) = ( 0.5000000 0.4949367 0.0237822), wk = 0.0014451 k( 652) = ( 0.5000000 0.4949367 0.0317096), wk = 0.0014451 k( 653) = ( 0.5000000 0.4949367 0.0396370), wk = 0.0014451 k( 654) = ( 0.5000000 0.4949367 0.0475644), wk = 0.0014451 k( 655) = ( 0.5000000 0.4949367 0.0554918), wk = 0.0014451 k( 656) = ( 0.5000000 0.4949367 0.0634192), wk = 0.0014451 k( 657) = ( 0.5000000 0.4949367 0.0713466), wk = 0.0014451 k( 658) = ( 0.5000000 0.4949367 0.0792740), wk = 0.0014451 k( 659) = ( 0.5000000 0.4949367 0.0872014), wk = 0.0014451 k( 660) = ( 0.5000000 0.4949367 0.0951288), wk = 0.0014451 k( 661) = ( 0.5000000 0.4949367 0.1030562), wk = 0.0014451 k( 662) = ( 0.5000000 0.4949367 0.1109836), wk = 0.0014451 k( 663) = ( 0.5000000 0.4949367 0.1189109), wk = 0.0014451 k( 664) = ( 0.5000000 0.4949367 0.1268383), wk = 0.0014451 k( 665) = ( 0.5000000 0.4949367 0.1347657), wk = 0.0014451 k( 666) = ( 0.5000000 0.4949367 0.1426931), wk = 0.0014451 k( 667) = ( 0.5000000 0.4949367 0.1506205), wk = 0.0014451 k( 668) = ( 0.5000000 0.4949367 0.1585479), wk = 0.0014451 k( 669) = ( 0.5000000 0.4949367 0.1664753), wk = 0.0014451 k( 670) = ( 0.5000000 0.4949367 0.1744027), wk = 0.0014451 k( 671) = ( 0.5000000 0.4949367 0.1823301), wk = 0.0014451 k( 672) = ( 0.5000000 0.4949367 0.1902575), wk = 0.0014451 k( 673) = ( 0.5000000 0.4949367 0.1981849), wk = 0.0014451 k( 674) = ( 0.5000000 0.4949367 0.2061123), wk = 0.0014451 k( 675) = ( 0.5000000 0.4949367 0.2140397), wk = 0.0014451 k( 676) = ( 0.5000000 0.4949367 0.2219671), wk = 0.0014451 k( 677) = ( 0.5000000 0.4949367 0.2298945), wk = 0.0014451 k( 678) = ( 0.5000000 0.4949367 0.2378219), wk = 0.0014451 k( 679) = ( 0.5000000 0.4949367 0.2457493), wk = 0.0014451 k( 680) = ( 0.5000000 0.4949367 0.2536767), wk = 0.0014451 k( 681) = ( 0.5000000 0.4949367 0.2616041), wk = 0.0014451 k( 682) = ( 0.5000000 0.4949367 0.2695315), wk = 0.0014451 k( 683) = ( 0.5000000 0.4949367 0.2774589), wk = 0.0014451 k( 684) = ( 0.5000000 0.4949367 0.2853863), wk = 0.0014451 k( 685) = ( 0.5000000 0.4949367 0.2933137), wk = 0.0014451 k( 686) = ( 0.5000000 0.4949367 0.3012411), wk = 0.0014451 k( 687) = ( 0.5000000 0.4949367 0.3091685), wk = 0.0014451 k( 688) = ( 0.5000000 0.4949367 0.3170959), wk = 0.0014451 k( 689) = ( 0.5000000 0.4949367 0.3250233), wk = 0.0014451 k( 690) = ( 0.5000000 0.4949367 0.3329507), wk = 0.0014451 k( 691) = ( 0.5000000 0.4949367 0.3408780), wk = 0.0014451 k( 692) = ( 0.5000000 0.4949367 0.3488054), 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 0.2045455), 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 0.2954546), 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 0.4204546), 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 0.2045455), 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 0.4204546), 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 0.4204546), 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 0.2045455), 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 0.2954546), 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: 15347 G-vectors FFT dimensions: ( 27, 27, 40) Smooth grid: 6031 G-vectors FFT dimensions: ( 20, 24, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 30, 24) NL pseudopotentials 0.01 Mb ( 15, 56) Each V/rho on FFT grid 0.01 Mb ( 729) Each G-vector array 0.00 Mb ( 320) G-vector shells 0.00 Mb ( 166) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.04 Mb ( 30, 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 40.7 secs Computing kpt #: 2 total cpu time spent up to now is 41.0 secs Computing kpt #: 3 total cpu time spent up to now is 41.2 secs Computing kpt #: 4 total cpu time spent up to now is 41.4 secs Computing kpt #: 5 total cpu time spent up to now is 41.7 secs Computing kpt #: 6 total cpu time spent up to now is 41.9 secs Computing kpt #: 7 total cpu time spent up to now is 42.1 secs Computing kpt #: 8 total cpu time spent up to now is 42.4 secs Computing kpt #: 9 total cpu time spent up to now is 42.7 secs Computing kpt #: 10 total cpu time spent up to now is 42.9 secs Computing kpt #: 11 total cpu time spent up to now is 43.1 secs Computing kpt #: 12 total cpu time spent up to now is 43.3 secs Computing kpt #: 13 total cpu time spent up to now is 43.5 secs Computing kpt #: 14 total cpu time spent up to now is 43.7 secs Computing kpt #: 15 total cpu time spent up to now is 43.9 secs Computing kpt #: 16 total cpu time spent up to now is 44.0 secs Computing kpt #: 17 total cpu time spent up to now is 44.2 secs Computing kpt #: 18 total cpu time spent up to now is 44.4 secs Computing kpt #: 19 total cpu time spent up to now is 44.6 secs Computing kpt #: 20 total cpu time spent up to now is 45.1 secs Computing kpt #: 21 total cpu time spent up to now is 45.2 secs Computing kpt #: 22 total cpu time spent up to now is 45.4 secs Computing kpt #: 23 total cpu time spent up to now is 45.6 secs Computing kpt #: 24 total cpu time spent up to now is 45.8 secs Computing kpt #: 25 total cpu time spent up to now is 46.0 secs Computing kpt #: 26 total cpu time spent up to now is 46.2 secs Computing kpt #: 27 total cpu time spent up to now is 46.4 secs Computing kpt #: 28 total cpu time spent up to now is 46.5 secs Computing kpt #: 29 total cpu time spent up to now is 46.7 secs Computing kpt #: 30 total cpu time spent up to now is 47.0 secs Computing kpt #: 31 total cpu time spent up to now is 47.2 secs Computing kpt #: 32 total cpu time spent up to now is 47.4 secs Computing kpt #: 33 total cpu time spent up to now is 47.6 secs Computing kpt #: 34 total cpu time spent up to now is 47.8 secs Computing kpt #: 35 total cpu time spent up to now is 48.0 secs Computing kpt #: 36 total cpu time spent up to now is 48.3 secs Computing kpt #: 37 total cpu time spent up to now is 48.5 secs Computing kpt #: 38 total cpu time spent up to now is 48.7 secs Computing kpt #: 39 total cpu time spent up to now is 48.9 secs Computing kpt #: 40 total cpu time spent up to now is 49.1 secs Computing kpt #: 41 total cpu time spent up to now is 49.3 secs Computing kpt #: 42 total cpu time spent up to now is 49.6 secs Computing kpt #: 43 total cpu time spent up to now is 49.8 secs Computing kpt #: 44 total cpu time spent up to now is 50.0 secs Computing kpt #: 45 total cpu 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Computing kpt #: 61 total cpu time spent up to now is 53.4 secs Computing kpt #: 62 total cpu time spent up to now is 53.6 secs Computing kpt #: 63 total cpu time spent up to now is 53.8 secs Computing kpt #: 64 total cpu time spent up to now is 54.0 secs Computing kpt #: 65 total cpu time spent up to now is 54.2 secs Computing kpt #: 66 total cpu time spent up to now is 54.4 secs Computing kpt #: 67 total cpu time spent up to now is 54.6 secs Computing kpt #: 68 total cpu time spent up to now is 54.8 secs Computing kpt #: 69 total cpu time spent up to now is 55.0 secs Computing kpt #: 70 total cpu time spent up to now is 55.2 secs Computing kpt #: 71 total cpu time spent up to now is 55.5 secs Computing kpt #: 72 total cpu time spent up to now is 55.7 secs Computing kpt #: 73 total cpu time spent up to now is 55.9 secs Computing kpt #: 74 total cpu time spent up to now is 56.1 secs Computing kpt #: 75 total cpu time spent up to now is 56.3 secs Computing kpt #: 76 total cpu time spent up to now is 56.5 secs Computing kpt #: 77 total cpu time spent up to now is 56.7 secs Computing kpt #: 78 total cpu time spent up to now is 56.9 secs Computing kpt #: 79 total cpu time spent up to now is 57.1 secs Computing kpt #: 80 total cpu time spent up to now is 57.4 secs Computing kpt #: 81 total cpu time spent up to now is 57.7 secs Computing kpt #: 82 total cpu time spent up to now is 58.0 secs Computing kpt #: 83 total cpu time spent up to now is 58.3 secs Computing kpt #: 84 total cpu time spent up to now is 58.6 secs Computing kpt #: 85 total cpu time spent up to now is 58.9 secs Computing kpt #: 86 total cpu time spent up to now is 59.3 secs Computing kpt #: 87 total cpu time spent up to now is 59.7 secs Computing kpt #: 88 total cpu time spent up to now is 60.0 secs Computing kpt #: 89 total cpu time spent up to now is 60.3 secs Computing kpt #: 90 total cpu time spent up to now is 60.7 secs Computing kpt #: 91 total cpu time spent up to now is 61.0 secs Computing kpt #: 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Computing kpt #: 123 total cpu time spent up to now is 67.6 secs Computing kpt #: 124 total cpu time spent up to now is 67.7 secs Computing kpt #: 125 total cpu time spent up to now is 67.9 secs Computing kpt #: 126 total cpu time spent up to now is 68.1 secs Computing kpt #: 127 total cpu time spent up to now is 68.2 secs Computing kpt #: 128 total cpu time spent up to now is 68.4 secs Computing kpt #: 129 total cpu time spent up to now is 68.6 secs Computing kpt #: 130 total cpu time spent up to now is 68.7 secs Computing kpt #: 131 total cpu time spent up to now is 68.9 secs Computing kpt #: 132 total cpu time spent up to now is 69.1 secs Computing kpt #: 133 total cpu time spent up to now is 69.2 secs Computing kpt #: 134 total cpu time spent up to now is 69.4 secs Computing kpt #: 135 total cpu time spent up to now is 69.6 secs Computing kpt #: 136 total cpu time spent up to now is 69.7 secs Computing kpt #: 137 total cpu time spent up to now is 69.9 secs Computing kpt #: 138 total cpu time spent up to now is 70.1 secs Computing kpt #: 139 total cpu time spent up to now is 70.2 secs Computing kpt #: 140 total cpu time spent up to now is 70.4 secs Computing kpt #: 141 total cpu time spent up to now is 70.6 secs Computing kpt #: 142 total cpu time spent up to now is 70.7 secs Computing kpt #: 143 total cpu time spent up to now is 70.9 secs Computing kpt #: 144 total cpu time spent up to now is 71.1 secs Computing kpt #: 145 total cpu time spent up to now is 71.3 secs Computing kpt #: 146 total cpu time spent up to now is 71.6 secs Computing kpt #: 147 total cpu time spent up to now is 71.8 secs Computing kpt #: 148 total cpu time spent up to now is 72.0 secs Computing kpt #: 149 total cpu time spent up to now is 72.2 secs Computing kpt #: 150 total cpu time spent up to now is 72.4 secs Computing kpt #: 151 total cpu time spent up to now is 72.6 secs Computing kpt #: 152 total cpu time spent up to now is 72.8 secs Computing kpt #: 153 total cpu time spent up to now is 73.0 secs Computing kpt #: 154 total cpu time spent up to now is 73.2 secs Computing kpt #: 155 total cpu time spent up to now is 73.4 secs Computing kpt #: 156 total cpu time spent up to now is 73.6 secs Computing kpt #: 157 total cpu time spent up to now is 73.7 secs Computing kpt #: 158 total cpu time spent up to now is 73.9 secs Computing kpt #: 159 total cpu time spent up to now is 74.1 secs Computing kpt #: 160 total cpu time spent up to now is 74.4 secs Computing kpt #: 161 total cpu time spent up to now is 74.7 secs Computing kpt #: 162 total cpu time spent up to now is 75.1 secs Computing kpt #: 163 total cpu time spent up to now is 75.6 secs Computing kpt #: 164 total cpu time spent up to now is 76.0 secs Computing kpt #: 165 total cpu time spent up to now is 76.3 secs Computing kpt #: 166 total cpu time spent up to now is 76.7 secs Computing kpt #: 167 total cpu time spent up to now is 77.2 secs Computing kpt #: 168 total cpu time spent up to now is 77.7 secs Computing kpt #: 169 total cpu time spent up to now is 78.2 secs Computing kpt #: 170 total cpu time spent up to now is 78.6 secs Computing kpt #: 171 total cpu time spent up to now is 79.0 secs Computing kpt #: 172 total cpu time spent up to now is 79.4 secs Computing kpt #: 173 total cpu time spent up to now is 79.9 secs Computing kpt #: 174 total cpu time spent up to now is 80.3 secs Computing kpt #: 175 total cpu time spent up to now is 80.6 secs Computing kpt #: 176 total cpu time spent up to now is 80.9 secs Computing kpt #: 177 total cpu time spent up to now is 81.2 secs Computing kpt #: 178 total cpu time spent up to now is 81.5 secs Computing kpt #: 179 total cpu time spent up to now is 81.9 secs Computing kpt #: 180 total cpu time spent up to now is 82.2 secs Computing kpt #: 181 total cpu time spent up to now is 82.4 secs Computing kpt #: 182 total cpu time spent up to now is 82.7 secs Computing kpt #: 183 total cpu time spent up to now is 83.0 secs Computing kpt #: 184 total cpu time spent up to now is 83.2 secs Computing kpt #: 185 total cpu time spent up to now is 83.6 secs Computing kpt #: 186 total cpu time spent up to now is 83.8 secs Computing kpt #: 187 total cpu time spent up to now is 84.1 secs Computing kpt #: 188 total cpu time spent up to now is 84.4 secs Computing kpt #: 189 total cpu time spent up to now is 84.6 secs Computing kpt #: 190 total cpu time spent up to now is 84.9 secs Computing kpt #: 191 total cpu time spent up to now is 85.2 secs Computing kpt #: 192 total cpu time spent up to now is 85.5 secs Computing kpt #: 193 total cpu time spent up to now is 85.7 secs Computing kpt #: 194 total cpu time spent up to now is 86.0 secs Computing kpt #: 195 total cpu time spent up to now is 86.3 secs Computing kpt #: 196 total cpu time spent up to now is 86.5 secs Computing kpt #: 197 total cpu time spent up to now is 86.8 secs Computing kpt #: 198 total cpu time spent up to now is 87.0 secs Computing kpt #: 199 total cpu time spent up to now is 87.3 secs Computing kpt #: 200 total cpu time spent up to now is 87.5 secs Computing kpt #: 201 total cpu time spent up to now is 87.8 secs Computing kpt #: 202 total cpu time spent up to now is 88.0 secs Computing kpt #: 203 total cpu time spent up to now is 88.2 secs Computing kpt #: 204 total cpu time spent up to now is 88.4 secs Computing kpt #: 205 total cpu time spent up to now is 88.6 secs Computing kpt #: 206 total cpu time spent up to now is 88.8 secs Computing kpt #: 207 total cpu time spent up to now is 89.0 secs Computing kpt #: 208 total cpu time spent up to now is 89.2 secs Computing kpt #: 209 total cpu time spent up to now is 89.4 secs Computing kpt #: 210 total cpu time spent up to now is 89.6 secs Computing kpt #: 211 total cpu time spent up to now is 89.8 secs Computing kpt #: 212 total cpu time spent up to now is 90.0 secs Computing kpt #: 213 total cpu time spent up to now is 90.2 secs Computing kpt #: 214 total cpu time spent up to now is 90.5 secs Computing kpt #: 215 total cpu time spent up to now is 90.7 secs Computing kpt #: 216 total cpu time spent up to now is 90.9 secs Computing kpt #: 217 total cpu time spent up to now is 91.1 secs Computing kpt #: 218 total cpu time spent up to now is 91.3 secs Computing kpt #: 219 total cpu time spent up to now is 91.5 secs Computing kpt #: 220 total cpu time spent up to now is 91.7 secs Computing kpt #: 221 total cpu time spent up to now is 91.9 secs Computing kpt #: 222 total cpu time spent up to now is 92.1 secs Computing kpt #: 223 total cpu time spent up to now is 92.3 secs Computing kpt #: 224 total cpu time spent up to now is 92.4 secs Computing kpt #: 225 total cpu time spent up to now is 92.6 secs Computing kpt #: 226 total cpu time spent up to now is 92.8 secs Computing kpt #: 227 total cpu time spent up to now is 93.0 secs Computing kpt #: 228 total cpu time spent up to now is 93.3 secs Computing kpt #: 229 total cpu time spent up to now is 93.5 secs Computing kpt #: 230 total cpu time spent up to now is 93.7 secs Computing kpt #: 231 total cpu time spent up to now is 93.9 secs Computing kpt #: 232 total cpu time spent up to now is 94.1 secs Computing kpt #: 233 total cpu time spent up to now is 94.3 secs Computing kpt #: 234 total cpu time spent up to now is 94.5 secs Computing kpt #: 235 total cpu time spent up to now is 94.7 secs Computing kpt #: 236 total cpu time spent up to now is 94.9 secs Computing kpt #: 237 total cpu time spent up to now is 95.1 secs Computing kpt #: 238 total cpu time spent up to now is 95.4 secs Computing kpt #: 239 total cpu time spent up to now is 95.6 secs Computing kpt #: 240 total cpu time spent up to now is 95.9 secs Computing kpt #: 241 total cpu time spent up to now is 96.2 secs Computing kpt #: 242 total cpu time spent up to now is 96.5 secs Computing kpt #: 243 total cpu time spent up to now is 96.8 secs Computing kpt #: 244 total cpu time spent up to now is 97.0 secs Computing kpt #: 245 total cpu time spent up to now is 97.2 secs Computing kpt #: 246 total cpu time spent up to now is 97.4 secs Computing kpt #: 247 total cpu time spent up to now is 97.6 secs Computing kpt #: 248 total cpu time spent up to now is 97.8 secs Computing kpt #: 249 total cpu time spent up to now is 98.2 secs Computing kpt #: 250 total cpu time spent up to now is 98.5 secs Computing kpt #: 251 total cpu time spent up to now is 98.7 secs Computing kpt #: 252 total cpu time spent up to now is 98.9 secs Computing kpt #: 253 total cpu time spent up to now is 99.2 secs Computing kpt #: 254 total cpu time spent up to now is 99.4 secs Computing kpt #: 255 total cpu time spent up to now is 99.6 secs Computing kpt #: 256 total cpu time spent up to now is 99.9 secs Computing kpt #: 257 total cpu time spent up to now is 100.1 secs Computing kpt #: 258 total cpu time spent up to now is 100.3 secs Computing kpt #: 259 total cpu time spent up to now is 100.5 secs Computing kpt #: 260 total cpu time spent up to now is 100.8 secs Computing kpt #: 261 total cpu time spent up to now is 101.1 secs Computing kpt #: 262 total cpu time spent up to now is 101.3 secs Computing kpt #: 263 total cpu time spent up to now is 101.7 secs Computing kpt #: 264 total cpu time spent up to now is 101.9 secs Computing kpt #: 265 total cpu time spent up to now is 102.2 secs Computing kpt #: 266 total cpu time spent up to now is 102.4 secs Computing kpt #: 267 total cpu time spent up to now is 102.7 secs Computing kpt #: 268 total cpu time spent up to now is 102.9 secs Computing kpt #: 269 total cpu time spent up to now is 103.2 secs Computing kpt #: 270 total cpu time spent up to now is 103.4 secs Computing kpt #: 271 total cpu time spent up to now is 103.6 secs Computing kpt #: 272 total cpu time spent up to now is 103.8 secs Computing kpt #: 273 total cpu time spent up to now is 104.1 secs Computing kpt #: 274 total cpu time spent up to now is 104.7 secs Computing kpt #: 275 total cpu time spent up to now is 104.9 secs Computing kpt #: 276 total cpu time spent up to now is 105.2 secs Computing kpt #: 277 total cpu time spent up to now is 105.4 secs Computing kpt #: 278 total cpu time spent up to now is 105.7 secs Computing kpt #: 279 total cpu time spent up to now is 105.9 secs Computing kpt #: 280 total cpu time spent up to now is 106.1 secs Computing kpt #: 281 total cpu time spent up to now is 106.4 secs Computing kpt #: 282 total cpu time spent up to now is 106.6 secs Computing kpt #: 283 total cpu time spent up to now is 106.9 secs Computing kpt #: 284 total cpu time spent up to now is 107.2 secs Computing kpt #: 285 total cpu time spent up to now is 107.4 secs Computing kpt #: 286 total cpu time spent up to now is 107.7 secs Computing kpt #: 287 total cpu time spent up to now is 108.0 secs Computing kpt #: 288 total cpu time spent up to now is 108.3 secs Computing kpt #: 289 total cpu time spent up to now is 108.6 secs Computing kpt #: 290 total cpu time spent up to now is 108.9 secs Computing kpt #: 291 total cpu time spent up to now is 109.2 secs Computing kpt #: 292 total cpu time spent up to now is 109.3 secs Computing kpt #: 293 total cpu time spent up to now is 109.6 secs Computing kpt #: 294 total cpu time spent up to now is 109.8 secs Computing kpt #: 295 total cpu time spent up to now is 110.1 secs Computing kpt #: 296 total cpu time spent up to now is 110.3 secs Computing kpt #: 297 total cpu time spent up to now is 110.5 secs Computing kpt #: 298 total cpu time spent up to now is 110.7 secs Computing kpt #: 299 total cpu time spent up to now is 110.9 secs Computing kpt #: 300 total cpu time spent up to now is 111.1 secs Computing kpt #: 301 total cpu time spent up to now is 111.3 secs Computing kpt #: 302 total cpu time spent up to now is 111.5 secs Computing kpt #: 303 total cpu time spent up to now is 111.7 secs Computing kpt #: 304 total cpu time spent up to now is 112.1 secs Computing kpt #: 305 total cpu time spent up to now is 112.3 secs Computing kpt #: 306 total cpu time spent up to now is 112.5 secs Computing kpt #: 307 total cpu time spent up to now is 112.7 secs Computing kpt #: 308 total cpu time spent up to now is 112.9 secs Computing kpt #: 309 total cpu time spent up to now is 113.2 secs Computing kpt #: 310 total cpu time spent up to now is 113.5 secs Computing kpt #: 311 total cpu time spent up to now is 113.7 secs Computing kpt #: 312 total cpu time spent up to now is 114.0 secs Computing kpt #: 313 total cpu time spent up to now is 114.2 secs Computing kpt #: 314 total cpu time spent up to now is 114.5 secs Computing kpt #: 315 total cpu time spent up to now is 114.8 secs Computing kpt #: 316 total cpu time spent up to now is 115.0 secs Computing kpt #: 317 total cpu time spent up to now is 115.2 secs Computing kpt #: 318 total cpu time spent up to now is 115.4 secs Computing kpt #: 319 total cpu time spent up to now is 115.6 secs Computing kpt #: 320 total cpu time spent up to now is 115.8 secs Computing kpt #: 321 total cpu time spent up to now is 116.0 secs Computing kpt #: 322 total cpu time spent up to now is 116.2 secs Computing kpt #: 323 total cpu time spent up to now is 116.4 secs Computing kpt #: 324 total cpu time spent up to now is 116.6 secs Computing kpt #: 325 total cpu time spent up to now is 116.8 secs Computing kpt #: 326 total cpu time spent up to now is 117.0 secs Computing kpt #: 327 total cpu time spent up to now is 117.2 secs Computing kpt #: 328 total cpu time spent up to now is 117.4 secs Computing kpt #: 329 total cpu time spent up to now is 117.5 secs Computing kpt #: 330 total cpu time spent up to now is 117.7 secs Computing kpt #: 331 total cpu time spent up to now is 117.9 secs Computing kpt #: 332 total cpu time spent up to now is 118.1 secs Computing kpt #: 333 total cpu time spent up to now is 118.3 secs Computing kpt #: 334 total cpu time spent up to now is 118.4 secs Computing kpt #: 335 total cpu time spent up to now is 118.6 secs Computing kpt #: 336 total cpu time spent up to now is 118.8 secs Computing kpt #: 337 total cpu time spent up to now is 119.0 secs Computing kpt #: 338 total cpu time spent up to now is 119.2 secs Computing kpt #: 339 total cpu time spent up to now is 119.4 secs Computing kpt #: 340 total cpu time spent up to now is 119.6 secs Computing kpt #: 341 total cpu time spent up to now is 119.8 secs Computing kpt #: 342 total cpu time spent up to now is 120.0 secs Computing kpt #: 343 total cpu time spent up to now is 120.2 secs Computing kpt #: 344 total cpu time spent up to now is 120.5 secs Computing kpt #: 345 total cpu time spent up to now is 120.8 secs Computing kpt #: 346 total cpu time spent up to now is 121.1 secs Computing kpt #: 347 total cpu time spent up to now is 121.4 secs Computing kpt #: 348 total cpu time spent up to now is 121.6 secs Computing kpt #: 349 total cpu time spent up to now is 121.8 secs Computing kpt #: 350 total cpu time spent up to now is 122.0 secs Computing kpt #: 351 total cpu time spent up to now is 122.1 secs Computing kpt #: 352 total cpu time spent up to now is 122.3 secs Computing kpt #: 353 total cpu time spent up to now is 122.5 secs Computing kpt #: 354 total cpu time spent up to now is 122.7 secs Computing kpt #: 355 total cpu time spent up to now is 122.8 secs Computing kpt #: 356 total cpu time spent up to now is 123.0 secs Computing kpt #: 357 total cpu time spent up to now is 123.2 secs Computing kpt #: 358 total cpu time spent up to now is 123.4 secs Computing kpt #: 359 total cpu time spent up to now is 123.6 secs Computing kpt #: 360 total cpu time spent up to now is 123.8 secs Computing kpt #: 361 total cpu time spent up to now is 124.0 secs Computing kpt #: 362 total cpu time spent up to now is 124.1 secs Computing kpt #: 363 total cpu time spent up to now is 124.3 secs Computing kpt #: 364 total cpu time spent up to now is 124.5 secs Computing kpt #: 365 total cpu time spent up to now is 124.8 secs Computing kpt #: 366 total cpu time spent up to now is 125.1 secs Computing kpt #: 367 total cpu time spent up to now is 125.3 secs Computing kpt #: 368 total cpu time spent up to now is 125.5 secs Computing kpt #: 369 total cpu time spent up to now is 125.7 secs Computing kpt #: 370 total cpu time spent up to now is 126.0 secs Computing kpt #: 371 total cpu time spent up to now is 126.2 secs Computing kpt #: 372 total cpu time spent up to now is 126.4 secs Computing kpt #: 373 total cpu time spent up to now is 126.9 secs Computing kpt #: 374 total cpu time spent up to now is 127.1 secs Computing kpt #: 375 total cpu time spent up to now is 127.3 secs Computing kpt #: 376 total cpu time spent up to now is 127.5 secs Computing kpt #: 377 total cpu time spent up to now is 127.7 secs Computing kpt #: 378 total cpu time spent up to now is 128.0 secs Computing kpt #: 379 total cpu time spent up to now is 128.2 secs Computing kpt #: 380 total cpu time spent up to now is 128.5 secs Computing kpt #: 381 total cpu time spent up to now is 128.7 secs Computing kpt #: 382 total cpu time spent up to now is 128.9 secs Computing kpt #: 383 total cpu time spent up to now is 129.1 secs Computing kpt #: 384 total cpu time spent up to now is 129.3 secs Computing kpt #: 385 total cpu time spent up to now is 129.5 secs Computing kpt #: 386 total cpu time spent up to now is 129.7 secs Computing kpt #: 387 total cpu time spent up to now is 129.9 secs Computing kpt #: 388 total cpu time spent up to now is 130.1 secs Computing kpt #: 389 total cpu time spent up to now is 130.3 secs Computing kpt #: 390 total cpu time spent up to now is 130.5 secs Computing kpt #: 391 total cpu time spent up to now is 130.9 secs Computing kpt #: 392 total cpu time spent up to now is 131.1 secs Computing kpt #: 393 total cpu time spent up to now is 131.3 secs Computing kpt #: 394 total cpu time spent up to now is 131.6 secs Computing kpt #: 395 total cpu time spent up to now is 131.8 secs Computing kpt #: 396 total cpu time spent up to now is 132.0 secs Computing kpt #: 397 total cpu time spent up to now is 132.3 secs Computing kpt #: 398 total cpu time spent up to now is 132.5 secs Computing kpt #: 399 total cpu time spent up to now is 132.8 secs Computing kpt #: 400 total cpu time spent up to now is 133.0 secs Computing kpt #: 401 total cpu time spent up to now is 133.2 secs Computing kpt #: 402 total cpu time spent up to now is 133.4 secs Computing kpt #: 403 total cpu time spent up to now is 133.7 secs Computing kpt #: 404 total cpu time spent up to now is 133.9 secs Computing kpt #: 405 total cpu time spent up to now is 134.1 secs Computing kpt #: 406 total cpu time spent up to now is 134.3 secs Computing kpt #: 407 total cpu time spent up to now is 134.5 secs Computing kpt #: 408 total cpu time spent up to now is 134.7 secs Computing kpt #: 409 total cpu time spent up to now is 135.0 secs Computing kpt #: 410 total cpu time spent up to now is 135.2 secs Computing kpt #: 411 total cpu time spent up to now is 135.4 secs Computing kpt #: 412 total cpu time spent up to now is 135.6 secs Computing kpt #: 413 total cpu time spent up to now is 135.9 secs Computing kpt #: 414 total cpu time spent up to now is 136.1 secs Computing kpt #: 415 total cpu time spent up to now is 136.3 secs Computing kpt #: 416 total cpu time spent up to now is 136.6 secs Computing kpt #: 417 total cpu time spent up to now is 136.8 secs Computing kpt #: 418 total cpu time spent up to now is 137.1 secs Computing kpt #: 419 total cpu time spent up to now is 137.3 secs Computing kpt #: 420 total cpu time spent up to now is 137.7 secs Computing kpt #: 421 total cpu time spent up to now is 138.0 secs Computing kpt #: 422 total cpu time spent up to now is 138.3 secs Computing kpt #: 423 total cpu time spent up to now is 138.8 secs Computing kpt #: 424 total cpu time spent up to now is 139.1 secs Computing kpt #: 425 total cpu time spent up to now is 139.5 secs Computing kpt #: 426 total cpu time spent up to now is 139.8 secs Computing kpt #: 427 total cpu time spent up to now is 140.0 secs Computing kpt #: 428 total cpu time spent up to now is 140.3 secs Computing kpt #: 429 total cpu time spent up to now is 140.5 secs Computing kpt #: 430 total cpu time spent up to now is 140.8 secs Computing kpt #: 431 total cpu time spent up to now is 141.0 secs Computing kpt #: 432 total cpu time spent up to now is 141.3 secs Computing kpt #: 433 total cpu time spent up to now is 141.5 secs Computing kpt #: 434 total cpu time spent up to now is 141.7 secs Computing kpt #: 435 total cpu time spent up to now is 142.0 secs Computing kpt #: 436 total cpu time spent up to now is 142.2 secs Computing kpt #: 437 total cpu time spent up to now is 142.3 secs Computing kpt #: 438 total cpu time spent up to now is 142.5 secs Computing kpt #: 439 total cpu time spent up to now is 142.7 secs Computing kpt #: 440 total cpu time spent up to now is 142.9 secs Computing kpt #: 441 total cpu time spent up to now is 143.2 secs Computing kpt #: 442 total cpu time spent up to now is 143.4 secs Computing kpt #: 443 total cpu time spent up to now is 143.6 secs Computing kpt #: 444 total cpu time spent up to now is 143.8 secs Computing kpt #: 445 total cpu time spent up to now is 144.0 secs Computing kpt #: 446 total cpu time spent up to now is 144.3 secs Computing kpt #: 447 total cpu time spent up to now is 144.5 secs Computing kpt #: 448 total cpu time spent up to now is 144.7 secs Computing kpt #: 449 total cpu time spent up to now is 145.0 secs Computing kpt #: 450 total cpu time spent up to now is 145.1 secs Computing kpt #: 451 total cpu time spent up to now is 145.3 secs Computing kpt #: 452 total cpu time spent up to now is 145.5 secs Computing kpt #: 453 total cpu time spent up to now is 145.7 secs Computing kpt #: 454 total cpu time spent up to now is 145.8 secs Computing kpt #: 455 total cpu time spent up to now is 146.0 secs Computing kpt #: 456 total cpu time spent up to now is 146.3 secs Computing kpt #: 457 total cpu time spent up to now is 146.4 secs Computing kpt #: 458 total cpu time spent up to now is 146.6 secs Computing kpt #: 459 total cpu time spent up to now is 146.8 secs Computing kpt #: 460 total cpu time spent up to now is 147.0 secs Computing kpt #: 461 total cpu time spent up to now is 147.1 secs Computing kpt #: 462 total cpu time spent up to now is 147.3 secs Computing kpt #: 463 total cpu time spent up to now is 147.5 secs Computing kpt #: 464 total cpu time spent up to now is 147.7 secs Computing kpt #: 465 total cpu time spent up to now is 147.9 secs Computing kpt #: 466 total cpu time spent up to now is 148.0 secs Computing kpt #: 467 total cpu time spent up to now is 148.2 secs Computing kpt #: 468 total cpu time spent up to now is 148.4 secs Computing kpt #: 469 total cpu time spent up to now is 148.6 secs Computing kpt #: 470 total cpu time spent up to now is 148.8 secs Computing kpt #: 471 total cpu time spent up to now is 149.0 secs Computing kpt #: 472 total cpu time spent up to now is 149.2 secs Computing kpt #: 473 total cpu time spent up to now is 149.5 secs Computing kpt #: 474 total cpu time spent up to now is 149.7 secs Computing kpt #: 475 total cpu time spent up to now is 149.9 secs Computing kpt #: 476 total cpu time spent up to now is 150.1 secs Computing kpt #: 477 total cpu time spent up to now is 150.5 secs Computing kpt #: 478 total cpu time spent up to now is 150.7 secs Computing kpt #: 479 total cpu time spent up to now is 150.9 secs Computing kpt #: 480 total cpu time spent up to now is 151.2 secs Computing kpt #: 481 total cpu time spent up to now is 151.4 secs Computing kpt #: 482 total cpu time spent up to now is 151.7 secs Computing kpt #: 483 total cpu time spent up to now is 152.0 secs Computing kpt #: 484 total cpu time spent up to now is 152.3 secs Computing kpt #: 485 total cpu time spent up to now is 152.6 secs Computing kpt #: 486 total cpu time spent up to now is 152.8 secs Computing kpt #: 487 total cpu time spent up to now is 153.0 secs Computing kpt #: 488 total cpu time spent up to now is 153.3 secs Computing kpt #: 489 total cpu time spent up to now is 153.5 secs Computing kpt #: 490 total cpu time spent up to now is 153.7 secs Computing kpt #: 491 total cpu time spent up to now is 153.9 secs Computing kpt #: 492 total cpu time spent up to now is 154.1 secs Computing kpt #: 493 total cpu time spent up to now is 154.4 secs Computing kpt #: 494 total cpu time spent up to now is 154.5 secs Computing kpt #: 495 total cpu time spent up to now is 154.8 secs Computing kpt #: 496 total cpu time spent up to now is 155.0 secs Computing kpt #: 497 total cpu time spent up to now is 155.3 secs Computing kpt #: 498 total cpu time spent up to now is 155.6 secs Computing kpt #: 499 total cpu time spent up to now is 155.9 secs Computing kpt #: 500 total cpu time spent up to now is 156.1 secs Computing kpt #: 501 total cpu time spent up to now is 156.4 secs Computing kpt #: 502 total cpu time spent up to now is 156.5 secs Computing kpt #: 503 total cpu time spent up to now is 156.8 secs Computing kpt #: 504 total cpu time spent up to now is 157.0 secs Computing kpt #: 505 total cpu time spent up to now is 157.2 secs Computing kpt #: 506 total cpu time spent up to now is 157.4 secs Computing kpt #: 507 total cpu time spent up to now is 157.7 secs Computing kpt #: 508 total cpu time spent up to now is 157.9 secs Computing kpt #: 509 total cpu time spent up to now is 158.1 secs Computing kpt #: 510 total cpu time spent up to now is 158.3 secs Computing kpt #: 511 total cpu time spent up to now is 158.5 secs Computing kpt #: 512 total cpu time spent up to now is 158.6 secs Computing kpt #: 513 total cpu time spent up to now is 158.8 secs Computing kpt #: 514 total cpu time spent up to now is 159.0 secs Computing kpt #: 515 total cpu time spent up to now is 159.2 secs Computing kpt #: 516 total cpu time spent up to now is 159.4 secs Computing kpt #: 517 total cpu time spent up to now is 159.6 secs Computing kpt #: 518 total cpu time spent up to now is 159.8 secs Computing kpt #: 519 total cpu time spent up to now is 160.0 secs Computing kpt #: 520 total cpu time spent up to now is 160.2 secs Computing kpt #: 521 total cpu time spent up to now is 160.4 secs Computing kpt #: 522 total cpu time spent up to now is 160.5 secs Computing kpt #: 523 total cpu time spent up to now is 160.7 secs Computing kpt #: 524 total cpu time spent up to now is 160.9 secs Computing kpt #: 525 total cpu time spent up to now is 161.2 secs Computing kpt #: 526 total cpu time spent up to now is 161.6 secs Computing kpt #: 527 total cpu time spent up to now is 161.8 secs Computing kpt #: 528 total cpu time spent up to now is 162.1 secs Computing kpt #: 529 total cpu time spent up to now is 162.4 secs Computing kpt #: 530 total cpu time spent up to now is 162.7 secs Computing kpt #: 531 total cpu time spent up to now is 162.9 secs Computing kpt #: 532 total cpu time spent up to now is 163.1 secs Computing kpt #: 533 total cpu time spent up to now is 163.3 secs Computing kpt #: 534 total cpu time spent up to now is 163.5 secs Computing kpt #: 535 total cpu time spent up to now is 163.8 secs Computing kpt #: 536 total cpu time spent up to now is 164.2 secs Computing kpt #: 537 total cpu time spent up to now is 164.4 secs Computing kpt #: 538 total cpu time spent up to now is 164.7 secs Computing kpt #: 539 total cpu time spent up to now is 165.0 secs Computing kpt #: 540 total cpu time spent up to now is 165.2 secs Computing kpt #: 541 total cpu time spent up to now is 165.5 secs Computing kpt #: 542 total cpu time spent up to now is 165.8 secs Computing kpt #: 543 total cpu time spent up to now is 166.1 secs Computing kpt #: 544 total cpu time spent up to now is 166.3 secs Computing kpt #: 545 total cpu time spent up to now is 166.6 secs Computing kpt #: 546 total cpu time spent up to now is 166.8 secs Computing kpt #: 547 total cpu time spent up to now is 167.2 secs Computing kpt #: 548 total cpu time spent up to now is 167.5 secs Computing kpt #: 549 total cpu time spent up to now is 167.7 secs Computing kpt #: 550 total cpu time spent up to now is 167.9 secs Computing kpt #: 551 total cpu time spent up to now is 168.1 secs Computing kpt #: 552 total cpu time spent up to now is 168.4 secs Computing kpt #: 553 total cpu time spent up to now is 168.6 secs Computing kpt #: 554 total cpu time spent up to now is 168.8 secs Computing kpt #: 555 total cpu time spent up to now is 169.0 secs Computing kpt #: 556 total cpu time spent up to now is 169.2 secs Computing kpt #: 557 total cpu time spent up to now is 169.4 secs Computing kpt #: 558 total cpu time spent up to now is 169.7 secs Computing kpt #: 559 total cpu time spent up to now is 170.0 secs Computing kpt #: 560 total cpu time spent up to now is 170.2 secs Computing kpt #: 561 total cpu time spent up to now is 170.5 secs Computing kpt #: 562 total cpu time spent up to now is 170.8 secs Computing kpt #: 563 total cpu time spent up to now is 171.1 secs Computing kpt #: 564 total cpu time spent up to now is 171.4 secs Computing kpt #: 565 total cpu time spent up to now is 171.7 secs Computing kpt #: 566 total cpu time spent up to now is 172.0 secs Computing kpt #: 567 total cpu time spent up to now is 172.2 secs Computing kpt #: 568 total cpu time spent up to now is 172.5 secs Computing kpt #: 569 total cpu time spent up to now is 172.8 secs Computing kpt #: 570 total cpu time spent up to now is 173.1 secs Computing kpt #: 571 total cpu time spent up to now is 173.5 secs Computing kpt #: 572 total cpu time spent up to now is 173.8 secs Computing kpt #: 573 total cpu time spent up to now is 174.2 secs Computing kpt #: 574 total cpu time spent up to now is 174.6 secs Computing kpt #: 575 total cpu time spent up to now is 174.9 secs Computing kpt #: 576 total cpu time spent up to now is 175.3 secs Computing kpt #: 577 total cpu time spent up to now is 175.6 secs Computing kpt #: 578 total cpu time spent up to now is 175.9 secs Computing kpt #: 579 total cpu time spent up to now is 176.2 secs Computing kpt #: 580 total cpu time spent up to now is 176.5 secs Computing kpt #: 581 total cpu time spent up to now is 176.9 secs Computing kpt #: 582 total cpu time spent up to now is 177.1 secs Computing kpt #: 583 total cpu time spent up to now is 177.4 secs Computing kpt #: 584 total cpu time spent up to now is 177.7 secs Computing kpt #: 585 total cpu time spent up to now is 178.0 secs Computing kpt #: 586 total cpu time spent up to now is 178.3 secs Computing kpt #: 587 total cpu time spent up to now is 178.6 secs Computing kpt #: 588 total cpu time spent up to now is 178.8 secs Computing kpt #: 589 total cpu time spent up to now is 179.2 secs Computing kpt #: 590 total cpu time spent up to now is 179.5 secs Computing kpt #: 591 total cpu time spent up to now is 179.7 secs Computing kpt #: 592 total cpu time spent up to now is 180.0 secs Computing kpt #: 593 total cpu time spent up to now is 180.2 secs Computing kpt #: 594 total cpu time spent up to now is 180.5 secs Computing kpt #: 595 total cpu time spent up to now is 180.8 secs Computing kpt #: 596 total cpu time spent up to now is 181.0 secs Computing kpt #: 597 total cpu time spent up to now is 181.3 secs Computing kpt #: 598 total cpu time spent up to now is 181.5 secs Computing kpt #: 599 total cpu time spent up to now is 181.7 secs Computing kpt #: 600 total cpu time spent up to now is 181.9 secs Computing kpt #: 601 total cpu time spent up to now is 182.1 secs Computing kpt #: 602 total cpu time spent up to now is 182.3 secs Computing kpt #: 603 total cpu time spent up to now is 182.5 secs Computing kpt #: 604 total cpu time spent up to now is 182.7 secs Computing kpt #: 605 total cpu time spent up to now is 182.9 secs Computing kpt #: 606 total cpu time spent up to now is 183.1 secs Computing kpt #: 607 total cpu time spent up to now is 183.3 secs Computing kpt #: 608 total cpu time spent up to now is 183.5 secs Computing kpt #: 609 total cpu time spent up to now is 183.6 secs Computing kpt #: 610 total cpu time spent up to now is 183.8 secs Computing kpt #: 611 total cpu time spent up to now is 184.0 secs Computing kpt #: 612 total cpu time spent up to now is 184.2 secs Computing kpt #: 613 total cpu time spent up to now is 184.4 secs Computing kpt #: 614 total cpu time spent up to now is 184.5 secs Computing kpt #: 615 total cpu time spent up to now is 184.7 secs Computing kpt #: 616 total cpu time spent up to now is 185.0 secs Computing kpt #: 617 total cpu time spent up to now is 185.2 secs Computing kpt #: 618 total cpu time spent up to now is 185.4 secs Computing kpt #: 619 total cpu time spent up to now is 185.6 secs Computing kpt #: 620 total cpu time spent up to now is 185.8 secs Computing kpt #: 621 total cpu time spent up to now is 186.0 secs Computing kpt #: 622 total cpu time spent up to now is 186.3 secs Computing kpt #: 623 total cpu time spent up to now is 186.5 secs Computing kpt #: 624 total cpu time spent up to now is 186.7 secs Computing kpt #: 625 total cpu time spent up to now is 186.9 secs Computing kpt #: 626 total cpu time spent up to now is 187.1 secs Computing kpt #: 627 total cpu time spent up to now is 187.2 secs Computing kpt #: 628 total cpu time spent up to now is 187.4 secs Computing kpt #: 629 total cpu time spent up to now is 187.6 secs Computing kpt #: 630 total cpu time spent up to now is 187.8 secs Computing kpt #: 631 total cpu time spent up to now is 188.0 secs Computing kpt #: 632 total cpu time spent up to now is 188.2 secs Computing kpt #: 633 total cpu time spent up to now is 188.3 secs Computing kpt #: 634 total cpu time spent up to now is 188.5 secs Computing kpt #: 635 total cpu time spent up to now is 188.7 secs Computing kpt #: 636 total cpu time spent up to now is 188.9 secs Computing kpt #: 637 total cpu time spent up to now is 189.1 secs Computing kpt #: 638 total cpu time spent up to now is 189.2 secs Computing kpt #: 639 total cpu time spent up to now is 189.4 secs Computing kpt #: 640 total cpu time spent up to now is 189.6 secs Computing kpt #: 641 total cpu time spent up to now is 189.8 secs Computing kpt #: 642 total cpu time spent up to now is 189.9 secs Computing kpt #: 643 total cpu time spent up to now is 190.1 secs Computing kpt #: 644 total cpu time spent up to now is 190.3 secs Computing kpt #: 645 total cpu time spent up to now is 190.5 secs Computing kpt #: 646 total cpu time spent up to now is 190.7 secs Computing kpt #: 647 total cpu time spent up to now is 190.9 secs Computing kpt #: 648 total cpu time spent up to now is 191.1 secs Computing kpt #: 649 total cpu time spent up to now is 191.3 secs Computing kpt #: 650 total cpu time spent up to now is 191.5 secs Computing kpt #: 651 total cpu time spent up to now is 191.7 secs Computing kpt #: 652 total cpu time spent up to now is 191.8 secs Computing kpt #: 653 total cpu time spent up to now is 192.0 secs Computing kpt #: 654 total cpu time spent up to now is 192.3 secs Computing kpt #: 655 total cpu time spent up to now is 192.4 secs Computing kpt #: 656 total cpu time spent up to now is 192.6 secs Computing kpt #: 657 total cpu time spent up to now is 192.8 secs Computing kpt #: 658 total cpu time spent up to now is 193.0 secs Computing kpt #: 659 total cpu time spent up to now is 193.2 secs Computing kpt #: 660 total cpu time spent up to now is 193.3 secs Computing kpt #: 661 total cpu time spent up to now is 193.5 secs Computing kpt #: 662 total cpu time spent up to now is 193.7 secs Computing kpt #: 663 total cpu time spent up to now is 193.8 secs Computing kpt #: 664 total cpu time spent up to now is 194.0 secs Computing kpt #: 665 total cpu time spent up to now is 194.2 secs Computing kpt #: 666 total cpu time spent up to now is 194.3 secs Computing kpt #: 667 total cpu time spent up to now is 194.5 secs Computing kpt #: 668 total cpu time spent up to now is 194.7 secs Computing kpt #: 669 total cpu time spent up to now is 194.9 secs Computing kpt #: 670 total cpu time spent up to now is 195.1 secs Computing kpt #: 671 total cpu time spent up to now is 195.3 secs Computing kpt #: 672 total cpu time spent up to now is 195.5 secs Computing kpt #: 673 total cpu time spent up to now is 195.7 secs Computing kpt #: 674 total cpu time spent up to now is 195.8 secs Computing kpt #: 675 total cpu time spent up to now is 196.0 secs Computing kpt #: 676 total cpu time spent up to now is 196.3 secs Computing kpt #: 677 total cpu time spent up to now is 196.5 secs Computing kpt #: 678 total cpu time spent up to now is 196.7 secs Computing kpt #: 679 total cpu time spent up to now is 196.9 secs Computing kpt #: 680 total cpu time spent up to now is 197.2 secs Computing kpt #: 681 total cpu time spent up to now is 197.4 secs Computing kpt #: 682 total cpu time spent up to now is 197.7 secs Computing kpt #: 683 total cpu time spent up to now is 197.9 secs Computing kpt #: 684 total cpu time spent up to now is 198.2 secs Computing kpt #: 685 total cpu time spent up to now is 198.4 secs Computing kpt #: 686 total cpu time spent up to now is 198.6 secs Computing kpt #: 687 total cpu time spent up to now is 198.8 secs Computing kpt #: 688 total cpu time spent up to now is 198.9 secs Computing kpt #: 689 total cpu time spent up to now is 199.1 secs Computing kpt #: 690 total cpu time spent up to now is 199.3 secs Computing kpt #: 691 total cpu time spent up to now is 199.6 secs Computing kpt #: 692 total cpu time spent up to now is 199.8 secs ethr = 6.25E-11, avg # of iterations = 20.1 total cpu time spent up to now is 200.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 733 PWs) bands (ev): -9.2329 -9.2329 -1.1548 -1.1548 1.7453 1.7453 6.0890 6.0890 6.6245 6.6245 12.2832 12.2832 12.6935 12.6935 13.8439 13.8439 15.8113 15.8113 18.5857 18.5857 19.0614 19.0614 19.9381 19.9381 k = 0.0079-0.0000-0.0000 ( 734 PWs) bands (ev): -9.2319 -9.2319 -1.1541 -1.1541 1.7460 1.7461 6.0898 6.0898 6.6186 6.6186 12.2773 12.2776 12.6901 12.6904 13.8437 13.8437 15.8139 15.8141 18.5865 18.5865 19.0678 19.0679 19.9420 19.9422 k = 0.0159-0.0000-0.0000 ( 736 PWs) bands (ev): -9.2288 -9.2288 -1.1519 -1.1519 1.7484 1.7485 6.0921 6.0921 6.6011 6.6011 12.2601 12.2607 12.6801 12.6806 13.8428 13.8428 15.8219 15.8222 18.5887 18.5887 19.0874 19.0877 19.9536 19.9540 k = 0.0238-0.0000-0.0000 ( 732 PWs) bands (ev): -9.2237 -9.2237 -1.1483 -1.1482 1.7523 1.7524 6.0960 6.0960 6.5722 6.5722 12.2318 12.2325 12.6636 12.6645 13.8415 13.8415 15.8351 15.8356 18.5925 18.5925 19.1201 19.1206 19.9730 19.9736 k = 0.0317-0.0000-0.0000 ( 736 PWs) bands (ev): -9.2166 -9.2166 -1.1432 -1.1431 1.7577 1.7579 6.1015 6.1015 6.5320 6.5320 12.1923 12.1933 12.6406 12.6416 13.8397 13.8397 15.8532 15.8538 18.5979 18.5979 19.1658 19.1664 19.9996 20.0005 k = 0.0397-0.0000-0.0000 ( 734 PWs) bands (ev): -9.2074 -9.2074 -1.1367 -1.1365 1.7647 1.7649 6.1085 6.1085 6.4811 6.4812 12.1426 12.1437 12.6114 12.6126 13.8374 13.8374 15.8758 15.8766 18.6049 18.6049 19.2245 19.2253 20.0333 20.0344 k = 0.0476-0.0000-0.0000 ( 736 PWs) bands (ev): -9.1962 -9.1962 -1.1287 -1.1286 1.7732 1.7735 6.1171 6.1171 6.4200 6.4200 12.0827 12.0840 12.5757 12.5771 13.8344 13.8344 15.9026 15.9035 18.6133 18.6133 19.2960 19.2969 20.0733 20.0748 k = 0.0556-0.0000-0.0000 ( 740 PWs) bands (ev): -9.1829 -9.1829 -1.1194 -1.1192 1.7831 1.7835 6.1271 6.1271 6.3490 6.3491 12.0133 12.0147 12.5339 12.5353 13.8309 13.8309 15.9330 15.9340 18.6233 18.6233 19.3801 19.3812 20.1189 20.1210 k = 0.0635-0.0000-0.0000 ( 742 PWs) bands (ev): -9.1677 -9.1677 -1.1088 -1.1085 1.7946 1.7950 6.1387 6.1388 6.2690 6.2691 11.9351 11.9365 12.4860 12.4875 13.8269 13.8269 15.9666 15.9677 18.6349 18.6349 19.4767 19.4779 20.1689 20.1717 k = 0.0714-0.0000-0.0000 ( 742 PWs) bands (ev): -9.1504 -9.1504 -1.0968 -1.0965 1.8074 1.8079 6.1518 6.1518 6.1807 6.1808 11.8487 11.8501 12.4322 12.4338 13.8223 13.8223 16.0028 16.0040 18.6480 18.6480 19.5853 19.5867 20.2212 20.2251 k = 0.0794-0.0000-0.0000 ( 738 PWs) bands (ev): -9.1311 -9.1310 -1.0835 -1.0832 1.8217 1.8222 6.0845 6.0846 6.1666 6.1667 11.7545 11.7560 12.3728 12.3743 13.8171 13.8171 16.0414 16.0427 18.6626 18.6626 19.7057 19.7072 20.2724 20.2771 k = 0.0873-0.0000-0.0000 ( 738 PWs) bands (ev): -9.1097 -9.1097 -1.0690 -1.0687 1.8373 1.8378 5.9815 5.9816 6.1827 6.1827 11.6533 11.6547 12.3078 12.3094 13.8112 13.8112 16.0818 16.0832 18.6788 18.6788 19.8369 19.8386 20.3200 20.3243 k = 0.0952-0.0000-0.0000 ( 738 PWs) bands (ev): -9.0865 -9.0865 -1.0533 -1.0530 1.8541 1.8547 5.8723 5.8724 6.2003 6.2003 11.5455 11.5469 12.2376 12.2391 13.8047 13.8048 16.1237 16.1252 18.6964 18.6964 19.9782 19.9800 20.3658 20.3691 k = 0.1032-0.0000-0.0000 ( 738 PWs) bands (ev): -9.0612 -9.0612 -1.0365 -1.0362 1.8722 1.8729 5.7576 5.7578 6.2193 6.2193 11.4317 11.4330 12.1624 12.1639 13.7976 13.7976 16.1669 16.1684 18.7156 18.7156 20.1277 20.1297 20.4130 20.4157 k = 0.1111-0.0000-0.0000 ( 740 PWs) bands (ev): -9.0340 -9.0340 -1.0187 -1.0183 1.8913 1.8921 5.6383 5.6386 6.2397 6.2398 11.3123 11.3136 12.0824 12.0838 13.7897 13.7897 16.2111 16.2126 18.7363 18.7363 20.2806 20.2826 20.4668 20.4688 k = 0.1190-0.0000-0.0000 ( 744 PWs) bands (ev): -9.0048 -9.0048 -0.9999 -0.9995 1.9115 1.9124 5.5152 5.5155 6.2615 6.2615 11.1880 11.1893 11.9978 11.9992 13.7811 13.7811 16.2561 16.2576 18.7585 18.7585 20.4190 20.4204 20.5431 20.5437 k = 0.1270-0.0000-0.0000 ( 744 PWs) bands (ev): -8.9737 -8.9737 -0.9802 -0.9798 1.9326 1.9335 5.3890 5.3893 6.2847 6.2847 11.0594 11.0606 11.9089 11.9103 13.7718 13.7718 16.3017 16.3032 18.7822 18.7822 20.5101 20.5101 20.6629 20.6644 k = 0.1349-0.0000-0.0000 ( 748 PWs) bands (ev): -8.9407 -8.9406 -0.9598 -0.9593 1.9544 1.9554 5.2605 5.2608 6.3093 6.3093 10.9268 10.9280 11.8159 11.8172 13.7617 13.7617 16.3479 16.3494 18.8074 18.8074 20.5723 20.5728 20.7821 20.7843 k = 0.1429-0.0000-0.0000 ( 746 PWs) bands (ev): -8.9057 -8.9057 -0.9387 -0.9382 1.9768 1.9780 5.1305 5.1309 6.3351 6.3351 10.7907 10.7918 11.7193 11.7206 13.7508 13.7508 16.3946 16.3961 18.8341 18.8341 20.6291 20.6296 20.8770 20.8790 k = 0.1508-0.0000-0.0000 ( 746 PWs) bands (ev): -8.8689 -8.8689 -0.9172 -0.9166 1.9996 2.0009 4.9998 5.0003 6.3622 6.3622 10.6514 10.6525 11.6192 11.6204 13.7391 13.7391 16.4417 16.4433 18.8623 18.8623 20.6854 20.6858 20.9615 20.9633 k = 0.1587-0.0000-0.0000 ( 750 PWs) bands (ev): -8.8303 -8.8303 -0.8953 -0.8947 2.0226 2.0240 4.8692 4.8697 6.3905 6.3905 10.5093 10.5104 11.5158 11.5169 13.7265 13.7265 16.4892 16.4908 18.8919 18.8919 20.7425 20.7429 21.0418 21.0435 k = 0.1667-0.0000-0.0000 ( 750 PWs) bands (ev): -8.7898 -8.7898 -0.8732 -0.8725 2.0454 2.0469 4.7397 4.7403 6.4201 6.4201 10.3649 10.3659 11.4093 11.4104 13.7132 13.7132 16.5372 16.5387 18.9229 18.9229 20.8009 20.8012 21.1197 21.1212 k = 0.1746-0.0000-0.0000 ( 750 PWs) bands (ev): -8.7475 -8.7475 -0.8511 -0.8505 2.0678 2.0695 4.6121 4.6129 6.4507 6.4508 10.2184 10.2194 11.3001 11.3011 13.6989 13.6989 16.5855 16.5871 18.9554 18.9554 20.8607 20.8609 21.1953 21.1968 k = 0.1825-0.0000-0.0000 ( 750 PWs) bands (ev): -8.7035 -8.7035 -0.8294 -0.8286 2.0893 2.0911 4.4875 4.4884 6.4825 6.4825 10.0702 10.0711 11.1883 11.1892 13.6838 13.6838 16.6343 16.6358 18.9892 18.9892 20.9220 20.9222 21.2687 21.2701 k = 0.1905-0.0000-0.0000 ( 750 PWs) bands (ev): -8.6577 -8.6577 -0.8081 -0.8073 2.1095 2.1115 4.3669 4.3679 6.5154 6.5154 9.9204 9.9213 11.0741 11.0750 13.6677 13.6677 16.6834 16.6850 19.0245 19.0245 20.9848 20.9848 21.3398 21.3412 k = 0.1984-0.0000-0.0000 ( 750 PWs) bands (ev): -8.6102 -8.6102 -0.7876 -0.7868 2.1278 2.1300 4.2514 4.2526 6.5493 6.5493 9.7695 9.7704 10.9578 10.9587 13.6508 13.6508 16.7330 16.7345 19.0611 19.0611 21.0490 21.0490 21.4084 21.4097 k = 0.2063-0.0000-0.0000 ( 746 PWs) bands (ev): -8.5611 -8.5611 -0.7683 -0.7674 2.1437 2.1460 4.1423 4.1436 6.5842 6.5842 9.6176 9.6185 10.8396 10.8405 13.6329 13.6329 16.7831 16.7846 19.0990 19.0990 21.1145 21.1146 21.4743 21.4756 k = 0.2143-0.0000-0.0000 ( 744 PWs) bands (ev): -8.5103 -8.5103 -0.7504 -0.7495 2.1564 2.1590 4.0407 4.0423 6.6199 6.6199 9.4650 9.4658 10.7197 10.7205 13.6141 13.6141 16.8336 16.8350 19.1383 19.1383 21.1813 21.1815 21.5374 21.5387 k = 0.2222-0.0000-0.0000 ( 744 PWs) bands (ev): -8.4580 -8.4580 -0.7345 -0.7335 2.1652 2.1680 3.9482 3.9500 6.6565 6.6565 9.3120 9.3127 10.5983 10.5990 13.5945 13.5945 16.8844 16.8859 19.1788 19.1788 21.2494 21.2497 21.5976 21.5988 k = 0.2302-0.0000-0.0000 ( 744 PWs) bands (ev): -8.4041 -8.4041 -0.7209 -0.7199 2.1695 2.1725 3.8660 3.8680 6.6938 6.6938 9.1586 9.1594 10.4755 10.4762 13.5739 13.5739 16.9357 16.9371 19.2204 19.2204 21.3187 21.3191 21.6547 21.6558 k = 0.2381-0.0000-0.0000 ( 748 PWs) bands (ev): -8.3488 -8.3487 -0.7101 -0.7091 2.1687 2.1720 3.7953 3.7974 6.7318 6.7318 9.0052 9.0059 10.3516 10.3523 13.5524 13.5524 16.9873 16.9887 19.2631 19.2631 21.3891 21.3896 21.7086 21.7097 k = 0.2460-0.0000-0.0000 ( 748 PWs) bands (ev): -8.2920 -8.2920 -0.7027 -0.7016 2.1628 2.1662 3.7370 3.7393 6.7705 6.7705 8.8519 8.8526 10.2268 10.2274 13.5301 13.5301 17.0393 17.0407 19.3070 19.3070 21.4605 21.4611 21.7593 21.7604 k = 0.2540-0.0000-0.0000 ( 748 PWs) bands (ev): -8.2339 -8.2339 -0.6992 -0.6981 2.1517 2.1553 3.6919 3.6943 6.8098 6.8098 8.6989 8.6995 10.1012 10.1018 13.5070 13.5070 17.0916 17.0930 19.3520 19.3520 21.5328 21.5335 21.8069 21.8078 k = 0.2619-0.0000-0.0000 ( 748 PWs) bands (ev): -8.1745 -8.1745 -0.7001 -0.6989 2.1360 2.1398 3.6599 3.6625 6.8495 6.8495 8.5464 8.5470 9.9749 9.9755 13.4831 13.4831 17.1443 17.1457 19.3979 19.3979 21.6059 21.6067 21.8512 21.8521 k = 0.2698-0.0000-0.0000 ( 748 PWs) bands (ev): -8.1139 -8.1139 -0.7060 -0.7048 2.1168 2.1206 3.6409 3.6435 6.8896 6.8896 8.3945 8.3951 9.8483 9.8488 13.4585 13.4585 17.1972 17.1985 19.4448 19.4448 21.6795 21.6805 21.8925 21.8932 k = 0.2778-0.0000-0.0000 ( 748 PWs) bands (ev): -8.0522 -8.0522 -0.7173 -0.7162 2.0953 2.0992 3.6340 3.6367 6.9300 6.9300 8.2434 8.2440 9.7213 9.7219 13.4331 13.4331 17.2503 17.2516 19.4924 19.4924 21.7532 21.7545 21.9309 21.9315 k = 0.2857-0.0000-0.0000 ( 750 PWs) bands (ev): -7.9895 -7.9895 -0.7347 -0.7335 2.0732 2.0771 3.6383 3.6410 6.9706 6.9706 8.0933 8.0938 9.5943 9.5948 13.4071 13.4071 17.3035 17.3048 19.5409 19.5409 21.8264 21.8280 21.9672 21.9675 k = 0.2937-0.0000-0.0000 ( 750 PWs) bands (ev): -7.9259 -7.9259 -0.7583 -0.7571 2.0521 2.0559 3.6526 3.6553 7.0114 7.0114 7.9444 7.9449 9.4673 9.4678 13.3806 13.3806 17.3568 17.3581 19.5899 19.5899 21.8972 21.8995 22.0028 22.0031 k = 0.3016-0.0000-0.0000 ( 754 PWs) bands (ev): -7.8614 -7.8614 -0.7884 -0.7872 2.0335 2.0372 3.6757 3.6783 7.0521 7.0521 7.7968 7.7972 9.3406 9.3410 13.3535 13.3535 17.4100 17.4113 19.6395 19.6395 21.9607 21.9638 22.0424 22.0435 k = 0.3095-0.0000-0.0000 ( 754 PWs) bands (ev): -7.7963 -7.7963 -0.8250 -0.8239 2.0186 2.0223 3.7064 3.7089 7.0927 7.0927 7.6506 7.6510 9.2142 9.2147 13.3261 13.3261 17.4631 17.4644 19.6896 19.6896 22.0081 22.0115 22.0957 22.0970 k = 0.3175-0.0000-0.0000 ( 754 PWs) bands (ev): -7.7306 -7.7306 -0.8682 -0.8671 2.0085 2.0121 3.7436 3.7461 7.1332 7.1332 7.5060 7.5063 9.0884 9.0888 13.2983 13.2983 17.5161 17.5173 19.7400 19.7400 22.0394 22.0423 22.1630 22.1639 k = 0.3254-0.0000-0.0000 ( 754 PWs) bands (ev): -7.6646 -7.6645 -0.9174 -0.9164 2.0039 2.0073 3.7865 3.7890 7.1734 7.1734 7.3633 7.3636 8.9633 8.9637 13.2703 13.2703 17.5686 17.5698 19.7905 19.7905 22.0613 22.0639 22.2364 22.2368 k = 0.3333-0.0000-0.0000 ( 754 PWs) bands (ev): -7.5982 -7.5982 -0.9724 -0.9714 2.0051 2.0084 3.8342 3.8366 7.2120 7.2123 7.2234 7.2239 8.8391 8.8395 13.2422 13.2422 17.6208 17.6219 19.8411 19.8411 22.0780 22.0803 22.3119 22.3121 k = 0.3413-0.0000-0.0000 ( 754 PWs) bands (ev): -7.5318 -7.5318 -1.0326 -1.0317 2.0123 2.0155 3.8861 3.8884 7.0839 7.0841 7.2524 7.2524 8.7160 8.7164 13.2141 13.2141 17.6723 17.6734 19.8916 19.8916 22.0907 22.0929 22.3881 22.3882 k = 0.3492-0.0000-0.0000 ( 756 PWs) bands (ev): -7.4656 -7.4656 -1.0972 -1.0963 2.0254 2.0285 3.9414 3.9437 6.9477 6.9479 7.2908 7.2908 8.5942 8.5945 13.1860 13.1860 17.7231 17.7242 19.9418 19.9418 22.1001 22.1022 22.4643 22.4644 k = 0.3571-0.0000-0.0000 ( 756 PWs) bands (ev): -7.3996 -7.3996 -1.1655 -1.1647 2.0442 2.0470 3.9998 4.0020 6.8142 6.8142 7.3285 7.3285 8.4739 8.4742 13.1582 13.1582 17.7730 17.7740 19.9915 19.9915 22.1068 22.1087 22.5400 22.5403 k = 0.3651-0.0000-0.0000 ( 760 PWs) bands (ev): -7.3343 -7.3343 -1.2367 -1.2359 2.0681 2.0708 4.0606 4.0628 6.6834 6.6834 7.3652 7.3652 8.3552 8.3555 13.1308 13.1308 17.8218 17.8228 20.0405 20.0405 22.1109 22.1127 22.6150 22.6153 k = 0.3730-0.0000-0.0000 ( 756 PWs) bands (ev): -7.2698 -7.2698 -1.3098 -1.3091 2.0967 2.0993 4.1235 4.1257 6.5557 6.5558 7.4009 7.4009 8.2385 8.2388 13.1039 13.1039 17.8694 17.8704 20.0887 20.0887 22.1128 22.1145 22.6890 22.6894 k = 0.3810-0.0000-0.0000 ( 756 PWs) bands (ev): -7.2064 -7.2064 -1.3840 -1.3834 2.1295 2.1320 4.1880 4.1902 6.4314 6.4315 7.4353 7.4353 8.1241 8.1244 13.0777 13.0777 17.9157 17.9166 20.1358 20.1358 22.1126 22.1143 22.7616 22.7620 k = 0.3889-0.0000-0.0000 ( 756 PWs) bands (ev): -7.1445 -7.1444 -1.4586 -1.4580 2.1658 2.1681 4.2537 4.2559 6.3107 6.3109 7.4684 7.4684 8.0122 8.0125 13.0523 13.0523 17.9603 17.9612 20.1815 20.1815 22.1107 22.1123 22.8323 22.8328 k = 0.3968-0.0000-0.0000 ( 756 PWs) bands (ev): -7.0842 -7.0842 -1.5325 -1.5320 2.2049 2.2071 4.3201 4.3223 6.1941 6.1944 7.4999 7.4999 7.9033 7.9035 13.0277 13.0277 18.0031 18.0040 20.2257 20.2257 22.1073 22.1088 22.9010 22.9015 k = 0.4048-0.0000-0.0000 ( 756 PWs) bands (ev): -7.0261 -7.0261 -1.6050 -1.6045 2.2461 2.2482 4.3869 4.3891 6.0819 6.0823 7.5298 7.5298 7.7977 7.7979 13.0043 13.0043 18.0439 18.0447 20.2681 20.2681 22.1027 22.1041 22.9672 22.9677 k = 0.4127-0.0000-0.0000 ( 756 PWs) bands (ev): -6.9704 -6.9704 -1.6753 -1.6749 2.2887 2.2907 4.4535 4.4557 5.9745 5.9750 7.5579 7.5580 7.6958 7.6960 12.9821 12.9821 18.0825 18.0833 20.3084 20.3084 22.0971 22.0984 23.0305 23.0310 k = 0.4206-0.0000-0.0000 ( 758 PWs) bands (ev): -6.9176 -6.9176 -1.7427 -1.7423 2.3320 2.3337 4.5194 4.5216 5.8724 5.8730 7.5838 7.5841 7.5984 7.5988 12.9613 12.9613 18.1187 18.1194 20.3464 20.3464 22.0908 22.0920 23.0904 23.0909 k = 0.4286-0.0000-0.0000 ( 752 PWs) bands (ev): -6.8681 -6.8681 -1.8063 -1.8059 2.3751 2.3767 4.5840 4.5863 5.7762 5.7770 7.5057 7.5058 7.6084 7.6084 12.9419 12.9419 18.1522 18.1528 20.3818 20.3818 22.0843 22.0854 23.1467 23.1472 k = 0.4365-0.0000-0.0000 ( 748 PWs) bands (ev): -6.8222 -6.8222 -1.8654 -1.8651 2.4171 2.4186 4.6467 4.6490 5.6862 5.6872 7.4188 7.4189 7.6304 7.6304 12.9242 12.9242 18.1829 18.1835 20.4143 20.4143 22.0775 22.0785 23.1986 23.1991 k = 0.4444-0.0000-0.0000 ( 748 PWs) bands (ev): -6.7805 -6.7805 -1.9194 -1.9192 2.4573 2.4586 4.7067 4.7090 5.6032 5.6043 7.3384 7.3385 7.6501 7.6501 12.9083 12.9083 18.2105 18.2110 20.4437 20.4437 22.0707 22.0716 23.2459 23.2463 k = 0.4524-0.0000-0.0000 ( 748 PWs) bands (ev): -6.7433 -6.7433 -1.9677 -1.9675 2.4946 2.4958 4.7633 4.7655 5.5278 5.5290 7.2655 7.2656 7.6674 7.6674 12.8942 12.8942 18.2349 18.2353 20.4698 20.4698 22.0644 22.0651 23.2880 23.2883 k = 0.4603-0.0000-0.0000 ( 748 PWs) bands (ev): -6.7110 -6.7110 -2.0096 -2.0094 2.5283 2.5293 4.8154 4.8177 5.4606 5.4620 7.2010 7.2011 7.6823 7.6823 12.8822 12.8822 18.2558 18.2562 20.4923 20.4923 22.0586 22.0592 23.3244 23.3248 k = 0.4683-0.0000-0.0000 ( 754 PWs) bands (ev): -6.6840 -6.6840 -2.0447 -2.0445 2.5573 2.5582 4.8621 4.8642 5.4023 5.4037 7.1461 7.1461 7.6945 7.6945 12.8721 12.8721 18.2732 18.2735 20.5109 20.5109 22.0535 22.0540 23.3549 23.3552 k = 0.4762-0.0000-0.0000 ( 758 PWs) bands (ev): -6.6627 -6.6627 -2.0724 -2.0723 2.5810 2.5816 4.9021 4.9040 5.3540 5.3553 7.1019 7.1019 7.7041 7.7041 12.8643 12.8643 18.2868 18.2871 20.5256 20.5256 22.0494 22.0497 23.3790 23.3792 k = 0.4841-0.0000-0.0000 ( 758 PWs) bands (ev): -6.6472 -6.6472 -2.0925 -2.0925 2.5985 2.5989 4.9336 4.9351 5.3172 5.3183 7.0694 7.0695 7.7110 7.7110 12.8586 12.8586 18.2967 18.2969 20.5363 20.5363 22.0464 22.0466 23.3965 23.3967 k = 0.4921-0.0000-0.0000 ( 758 PWs) bands (ev): -6.6378 -6.6378 -2.1047 -2.1046 2.6093 2.6095 4.9544 4.9552 5.2937 5.2944 7.0496 7.0496 7.7151 7.7151 12.8552 12.8552 18.3027 18.3028 20.5427 20.5427 22.0445 22.0447 23.4071 23.4072 k = 0.5000-0.0000-0.0000 ( 758 PWs) bands (ev): -6.6347 -6.6347 -2.1087 -2.1087 2.6130 2.6130 4.9620 4.9620 5.2858 5.2858 7.0429 7.0429 7.7165 7.7165 12.8540 12.8540 18.3047 18.3047 20.5448 20.5448 22.0440 22.0440 23.4107 23.4107 k = 0.5000-0.0000-0.0000 ( 758 PWs) bands (ev): -6.6347 -6.6347 -2.1087 -2.1087 2.6130 2.6130 4.9620 4.9620 5.2858 5.2858 7.0429 7.0429 7.7165 7.7165 12.8540 12.8540 18.3047 18.3047 20.5448 20.5448 22.0440 22.0440 23.4107 23.4107 k = 0.5000 0.0079-0.0000 ( 758 PWs) bands (ev): -6.6337 -6.6337 -2.1077 -2.1077 2.6130 2.6131 4.9626 4.9626 5.2861 5.2861 7.0434 7.0434 7.7116 7.7117 12.8482 12.8482 18.3109 18.3110 20.5369 20.5370 22.0485 22.0486 23.4178 23.4180 k = 0.5000 0.0157-0.0000 ( 758 PWs) bands (ev): -6.6306 -6.6306 -2.1045 -2.1045 2.6133 2.6133 4.9644 4.9645 5.2869 5.2869 7.0447 7.0447 7.6971 7.6973 12.8307 12.8308 18.3295 18.3298 20.5134 20.5136 22.0619 22.0621 23.4390 23.4396 k = 0.5000 0.0236-0.0000 ( 756 PWs) bands (ev): -6.6255 -6.6255 -2.0992 -2.0991 2.6136 2.6137 4.9675 4.9676 5.2882 5.2882 7.0468 7.0469 7.6732 7.6735 12.8018 12.8019 18.3604 18.3610 20.4751 20.4754 22.0840 22.0843 23.4738 23.4746 k = 0.5000 0.0314-0.0000 ( 760 PWs) bands (ev): -6.6184 -6.6184 -2.0917 -2.0917 2.6141 2.6142 4.9718 4.9719 5.2900 5.2900 7.0499 7.0500 7.6398 7.6402 12.7618 12.7619 18.4033 18.4041 20.4229 20.4232 22.1141 22.1144 23.5210 23.5221 k = 0.5000 0.0393-0.0000 ( 760 PWs) bands (ev): -6.6092 -6.6092 -2.0821 -2.0821 2.6146 2.6147 4.9772 4.9774 5.2923 5.2923 7.0538 7.0540 7.5976 7.5981 12.7110 12.7112 18.4579 18.4589 20.3585 20.3588 22.1514 22.1518 23.5792 23.5806 k = 0.5000 0.0471-0.0000 ( 760 PWs) bands (ev): -6.5980 -6.5980 -2.0704 -2.0704 2.6151 2.6152 4.9839 4.9841 5.2950 5.2951 7.0586 7.0588 7.5469 7.5475 12.6500 12.6502 18.5237 18.5249 20.2832 20.2835 22.1949 22.1954 23.6472 23.6487 k = 0.5000 0.0550-0.0000 ( 760 PWs) bands (ev): -6.5848 -6.5848 -2.0566 -2.0566 2.6156 2.6157 4.9918 4.9920 5.2982 5.2983 7.0642 7.0644 7.4882 7.4889 12.5793 12.5795 18.6002 18.6016 20.1984 20.1987 22.2433 22.2439 23.7234 23.7251 k = 0.5000 0.0628-0.0000 ( 760 PWs) bands (ev): -6.5695 -6.5695 -2.0406 -2.0406 2.6158 2.6160 5.0009 5.0011 5.3018 5.3018 7.0707 7.0710 7.4220 7.4228 12.4996 12.4998 18.6868 18.6883 20.1055 20.1058 22.2951 22.2958 23.8066 23.8085 k = 0.5000 0.0707-0.0000 ( 756 PWs) bands (ev): -6.5522 -6.5522 -2.0226 -2.0225 2.6159 2.6160 5.0111 5.0114 5.3057 5.3058 7.0781 7.0784 7.3490 7.3499 12.4114 12.4117 18.7827 18.7845 20.0058 20.0060 22.3488 22.3496 23.8955 23.8975 k = 0.5000 0.0786-0.0000 ( 756 PWs) bands (ev): -6.5329 -6.5329 -2.0024 -2.0023 2.6155 2.6157 5.0224 5.0227 5.3098 5.3099 7.0862 7.0865 7.2697 7.2706 12.3156 12.3159 18.8873 18.8894 19.9004 19.9005 22.4022 22.4030 23.9891 23.9913 k = 0.5000 0.0864-0.0000 ( 756 PWs) bands (ev): -6.5116 -6.5116 -1.9801 -1.9801 2.6146 2.6148 5.0348 5.0351 5.3142 5.3143 7.0953 7.0956 7.1848 7.1858 12.2128 12.2131 18.9995 19.0020 19.7903 19.7905 22.4531 22.4541 24.0863 24.0886 k = 0.5000 0.0943-0.0000 ( 760 PWs) bands (ev): -6.4883 -6.4883 -1.9557 -1.9557 2.6130 2.6133 5.0483 5.0487 5.3185 5.3186 7.0950 7.0960 7.1050 7.1055 12.1036 12.1040 19.1182 19.1213 19.6765 19.6772 22.4992 22.5003 24.1865 24.1890 k = 0.5000 0.1021-0.0000 ( 764 PWs) bands (ev): -6.4630 -6.4630 -1.9293 -1.9292 2.6106 2.6108 5.0628 5.0632 5.3230 5.3231 7.0010 7.0021 7.1156 7.1160 11.9889 11.9893 19.2412 19.2454 19.5608 19.5625 22.5379 22.5391 24.2890 24.2916 k = 0.5000 0.1100-0.0000 ( 764 PWs) bands (ev): -6.4357 -6.4357 -1.9007 -1.9007 2.6070 2.6074 5.0784 5.0788 5.3274 5.3275 6.9035 6.9048 7.1270 7.1274 11.8693 11.8698 19.3519 19.3610 19.4564 19.4629 22.5665 22.5678 24.3932 24.3959 k = 0.5000 0.1178-0.0000 ( 764 PWs) bands (ev): -6.4064 -6.4064 -1.8701 -1.8700 2.6022 2.6026 5.0950 5.0954 5.3317 5.3318 6.8034 6.8047 7.1391 7.1396 11.7455 11.7460 19.3014 19.3055 19.5253 19.5267 22.5824 22.5838 24.4986 24.5014 k = 0.5000 0.1257-0.0000 ( 764 PWs) bands (ev): -6.3752 -6.3752 -1.8374 -1.8373 2.5958 2.5962 5.1125 5.1130 5.3356 5.3358 6.7012 6.7025 7.1520 7.1525 11.6181 11.6186 19.1834 19.1855 19.6596 19.6603 22.5832 22.5846 24.4753 24.4769 k = 0.5000 0.1336-0.0000 ( 760 PWs) bands (ev): -6.3420 -6.3420 -1.8026 -1.8026 2.5876 2.5881 5.1309 5.1314 5.3392 5.3393 6.5978 6.5992 7.1657 7.1662 11.4878 11.4883 19.0602 19.0617 19.7985 19.8000 22.5672 22.5687 24.3924 24.3940 k = 0.5000 0.1414-0.0000 ( 760 PWs) bands (ev): -6.3069 -6.3069 -1.7658 -1.7658 2.5773 2.5777 5.1501 5.1506 5.3422 5.3424 6.4938 6.4953 7.1800 7.1806 11.3551 11.3556 18.9353 18.9365 19.9387 19.9406 22.5335 22.5351 24.3178 24.3194 k = 0.5000 0.1493-0.0000 ( 760 PWs) bands (ev): -6.2698 -6.2698 -1.7270 -1.7269 2.5645 2.5650 5.1702 5.1707 5.3445 5.3447 6.3900 6.3915 7.1951 7.1957 11.2206 11.2212 18.8098 18.8107 20.0780 20.0802 22.4824 22.4839 24.2503 24.2519 k = 0.5000 0.1571-0.0000 ( 756 PWs) bands (ev): -6.2309 -6.2308 -1.6861 -1.6860 2.5488 2.5494 5.1910 5.1915 5.3460 5.3461 6.2872 6.2888 7.2109 7.2115 11.0850 11.0856 18.6841 18.6848 20.2143 20.2169 22.4148 22.4163 24.1881 24.1897 k = 0.5000 0.1650-0.0000 ( 756 PWs) bands (ev): -6.1900 -6.1900 -1.6432 -1.6432 2.5300 2.5305 5.2124 5.2130 5.3464 5.3465 6.1861 6.1877 7.2273 7.2280 10.9487 10.9493 18.5584 18.5591 20.3452 20.3481 22.3326 22.3340 24.1289 24.1304 k = 0.5000 0.1728-0.0000 ( 756 PWs) bands (ev): -6.1472 -6.1472 -1.5984 -1.5983 2.5075 2.5081 5.2345 5.2351 5.3456 5.3457 6.0875 6.0891 7.2443 7.2451 10.8122 10.8129 18.4333 18.4338 20.4681 20.4712 22.2378 22.2392 24.0703 24.0717 k = 0.5000 0.1807-0.0000 ( 760 PWs) bands (ev): -6.1026 -6.1026 -1.5516 -1.5515 2.4810 2.4817 5.2572 5.2577 5.3433 5.3434 5.9919 5.9935 7.2620 7.2628 10.6761 10.6768 18.3087 18.3091 20.5799 20.5832 22.1327 22.1339 24.0104 24.0116 k = 0.5000 0.1885-0.0000 ( 764 PWs) bands (ev): -6.0562 -6.0562 -1.5028 -1.5027 2.4502 2.4508 5.2803 5.2808 5.3394 5.3395 5.9002 5.9018 7.2803 7.2811 10.5409 10.5417 18.1851 18.1854 20.6769 20.6804 22.0193 22.0205 23.9474 23.9483 k = 0.5000 0.1964-0.0000 ( 764 PWs) bands (ev): -6.0079 -6.0079 -1.4520 -1.4520 2.4145 2.4152 5.3036 5.3041 5.3337 5.3338 5.8131 5.8147 7.2991 7.3000 10.4071 10.4079 18.0628 18.0630 20.7557 20.7594 21.8996 21.9006 23.8727 23.8738 k = 0.5000 0.2043-0.0000 ( 764 PWs) bands (ev): -5.9579 -5.9579 -1.3994 -1.3993 2.3738 2.3745 5.3236 5.3240 5.3296 5.3296 5.7312 5.7327 7.3186 7.3194 10.2751 10.2759 17.9419 17.9420 20.8125 20.8163 21.7750 21.7759 23.8088 23.8096 k = 0.5000 0.2121-0.0000 ( 764 PWs) bands (ev): -5.9061 -5.9061 -1.3449 -1.3448 2.3276 2.3284 5.3149 5.3150 5.3518 5.3519 5.6552 5.6565 7.3385 7.3394 10.1453 10.1461 17.8226 17.8226 20.8444 20.8483 21.6469 21.6477 23.7324 23.7332 k = 0.5000 0.2200-0.0000 ( 764 PWs) bands (ev): -5.8525 -5.8525 -1.2885 -1.2884 2.2759 2.2766 5.3019 5.3020 5.3750 5.3754 5.5859 5.5867 7.3590 7.3599 10.0182 10.0191 17.7050 17.7050 20.8498 20.8538 21.5163 21.5171 23.6515 23.6522 k = 0.5000 0.2278-0.0000 ( 764 PWs) bands (ev): -5.7973 -5.7973 -1.2303 -1.2302 2.2183 2.2191 5.2860 5.2861 5.3965 5.3978 5.5246 5.5248 7.3799 7.3809 9.8943 9.8952 17.5893 17.5895 20.8287 20.8326 21.3843 21.3850 23.5663 23.5669 k = 0.5000 0.2357-0.0000 ( 760 PWs) bands (ev): -5.7404 -5.7404 -1.1702 -1.1702 2.1549 2.1557 5.2668 5.2669 5.4097 5.4139 5.4755 5.4786 7.4014 7.4024 9.7739 9.7748 17.4758 17.4761 20.7827 20.7866 21.2515 21.2521 23.4775 23.4781 k = 0.5000 0.2435-0.0000 ( 764 PWs) bands (ev): -5.6819 -5.6819 -1.1084 -1.1084 2.0856 2.0864 5.2441 5.2442 5.3919 5.3976 5.4654 5.4700 7.4232 7.4243 9.6574 9.6584 17.3646 17.3649 20.7147 20.7185 21.1185 21.1191 23.3857 23.3861 k = 0.5000 0.2514-0.0000 ( 764 PWs) bands (ev): -5.6218 -5.6218 -1.0449 -1.0448 2.0107 2.0115 5.2178 5.2178 5.3552 5.3597 5.4837 5.4870 7.4454 7.4465 9.5452 9.5462 17.2559 17.2563 20.6283 20.6319 20.9860 20.9865 23.2914 23.2918 k = 0.5000 0.2593-0.0000 ( 764 PWs) bands (ev): -5.5602 -5.5602 -0.9797 -0.9796 1.9304 1.9311 5.1874 5.1874 5.3200 5.3238 5.5062 5.5091 7.4680 7.4692 9.4376 9.4387 17.1498 17.1503 20.5270 20.5305 20.8544 20.8548 23.1954 23.1957 k = 0.5000 0.2671-0.0000 ( 764 PWs) bands (ev): -5.4972 -5.4971 -0.9128 -0.9127 1.8448 1.8456 5.1529 5.1530 5.2899 5.2934 5.5296 5.5321 7.4910 7.4922 9.3349 9.3360 17.0465 17.0470 20.4142 20.4176 20.7240 20.7244 23.0982 23.0985 k = 0.5000 0.2750-0.0000 ( 760 PWs) bands (ev): -5.4327 -5.4326 -0.8443 -0.8442 1.7545 1.7553 5.1141 5.1141 5.2655 5.2688 5.5529 5.5553 7.5143 7.5155 9.2374 9.2385 16.9462 16.9468 20.2929 20.2961 20.5953 20.5957 23.0004 23.0007 k = 0.5000 0.2828-0.0000 ( 764 PWs) bands (ev): -5.3669 -5.3668 -0.7742 -0.7741 1.6599 1.6606 5.0708 5.0708 5.2467 5.2500 5.5759 5.5782 7.5378 7.5391 9.1452 9.1464 16.8489 16.8495 20.1652 20.1683 20.4685 20.4688 22.9026 22.9028 k = 0.5000 0.2907-0.0000 ( 760 PWs) bands (ev): -5.2998 -5.2997 -0.7027 -0.7026 1.5614 1.5621 5.0230 5.0231 5.2334 5.2366 5.5984 5.6007 7.5616 7.5629 9.0584 9.0597 16.7548 16.7555 20.0334 20.0363 20.3440 20.3443 22.8053 22.8055 k = 0.5000 0.2985-0.0000 ( 764 PWs) bands (ev): -5.2315 -5.2315 -0.6298 -0.6297 1.4595 1.4602 4.9707 4.9707 5.2251 5.2282 5.6203 5.6225 7.5856 7.5869 8.9773 8.9786 16.6639 16.6647 19.8988 19.9016 20.2221 20.2223 22.7089 22.7090 k = 0.5000 0.3064-0.0000 ( 756 PWs) bands (ev): -5.1621 -5.1621 -0.5554 -0.5553 1.3549 1.3555 4.9139 4.9139 5.2216 5.2247 5.6413 5.6436 7.6098 7.6111 8.9017 8.9030 16.5767 16.5775 19.7631 19.7658 20.1029 20.1031 22.6138 22.6139 k = 0.5000 0.3142-0.0000 ( 756 PWs) bands (ev): -5.0918 -5.0917 -0.4799 -0.4798 1.2478 1.2485 4.8526 4.8526 5.2224 5.2255 5.6615 5.6638 7.6341 7.6355 8.8316 8.8330 16.4929 16.4938 19.6272 19.6298 19.9867 19.9869 22.5205 22.5205 k = 0.5000 0.3221-0.0000 ( 752 PWs) bands (ev): -5.0206 -5.0205 -0.4031 -0.4030 1.1390 1.1396 4.7871 4.7871 5.2271 5.2302 5.6807 5.6830 7.6585 7.6599 8.7670 8.7684 16.4128 16.4138 19.4921 19.4946 19.8737 19.8739 22.4291 22.4291 k = 0.5000 0.3300-0.0000 ( 752 PWs) bands (ev): -4.9487 -4.9486 -0.3254 -0.3253 1.0288 1.0294 4.7176 4.7177 5.2354 5.2384 5.6988 5.7011 7.6829 7.6843 8.7076 8.7091 16.3365 16.3375 19.3584 19.3609 19.7641 19.7643 22.3400 22.3401 k = 0.5000 0.3378-0.0000 ( 752 PWs) bands (ev): -4.8761 -4.8761 -0.2467 -0.2466 0.9179 0.9184 4.6444 4.6444 5.2468 5.2498 5.7157 5.7180 7.7073 7.7088 8.6533 8.6548 16.2640 16.2650 19.2270 19.2294 19.6582 19.6583 22.2537 22.2537 k = 0.5000 0.3457-0.0000 ( 752 PWs) bands (ev): -4.8032 -4.8031 -0.1673 -0.1671 0.8067 0.8072 4.5678 4.5679 5.2610 5.2640 5.7312 5.7336 7.7317 7.7332 8.6038 8.6053 16.1954 16.1964 19.0983 19.1007 19.5562 19.5562 22.1702 22.1702 k = 0.5000 0.3535-0.0000 ( 752 PWs) bands (ev): -4.7300 -4.7300 -0.0872 -0.0871 0.6957 0.6961 4.4883 4.4884 5.2777 5.2806 5.7454 5.7478 7.7559 7.7574 8.5588 8.5603 16.1307 16.1317 18.9729 18.9752 19.4581 19.4582 22.0898 22.0899 k = 0.5000 0.3614-0.0000 ( 752 PWs) bands (ev): -4.6568 -4.6568 -0.0067 -0.0066 0.5854 0.5858 4.4063 4.4064 5.2965 5.2994 5.7581 5.7605 7.7800 7.7815 8.5180 8.5195 16.0700 16.0711 18.8513 18.8535 19.3642 19.3642 22.0127 22.0128 k = 0.5000 0.3692-0.0000 ( 750 PWs) bands (ev): -4.5839 -4.5838 0.0741 0.0742 0.4763 0.4767 4.3223 4.3224 5.3171 5.3200 5.7692 5.7716 7.8039 7.8054 8.4810 8.4826 16.0134 16.0145 18.7339 18.7360 19.2747 19.2747 21.9392 21.9393 k = 0.5000 0.3771-0.0000 ( 750 PWs) bands (ev): -4.5114 -4.5114 0.1548 0.1549 0.3690 0.3694 4.2369 4.2370 5.3392 5.3421 5.7786 5.7811 7.8275 7.8290 8.4475 8.4491 15.9608 15.9619 18.6211 18.6231 19.1896 19.1897 21.8693 21.8694 k = 0.5000 0.3850-0.0000 ( 750 PWs) bands (ev): -4.4398 -4.4398 0.2351 0.2352 0.2639 0.2642 4.1506 4.1507 5.3626 5.3655 5.7864 5.7889 7.8507 7.8522 8.4172 8.4188 15.9122 15.9133 18.5133 18.5152 19.1093 19.1093 21.8033 21.8034 k = 0.5000 0.3928-0.0000 ( 750 PWs) bands (ev): -4.3694 -4.3693 0.1615 0.1619 0.3148 0.3149 4.0641 4.0642 5.3870 5.3899 5.7924 5.7949 7.8735 7.8751 8.3897 8.3913 15.8677 15.8687 18.4109 18.4127 19.0338 19.0338 21.7412 21.7413 k = 0.5000 0.4007-0.0000 ( 756 PWs) bands (ev): -4.3005 -4.3005 0.0626 0.0629 0.3934 0.3935 3.9780 3.9781 5.4122 5.4150 5.7965 5.7990 7.8958 7.8974 8.3648 8.3664 15.8269 15.8280 18.3142 18.3159 18.9632 18.9632 21.6833 21.6833 k = 0.5000 0.4085-0.0000 ( 756 PWs) bands (ev): -4.2337 -4.2337 -0.0324 -0.0321 0.4705 0.4706 3.8930 3.8932 5.4378 5.4407 5.7988 5.8014 7.9176 7.9192 8.3420 8.3436 15.7902 15.7912 18.2236 18.2252 18.8977 18.8977 21.6295 21.6296 k = 0.5000 0.4164-0.0000 ( 756 PWs) bands (ev): -4.1695 -4.1694 -0.1228 -0.1226 0.5454 0.5455 3.8101 3.8102 5.4638 5.4667 5.7992 5.8018 7.9389 7.9404 8.3212 8.3228 15.7572 15.7582 18.1394 18.1409 18.8374 18.8375 21.5802 21.5802 k = 0.5000 0.4242-0.0000 ( 764 PWs) bands (ev): -4.1083 -4.1082 -0.2080 -0.2078 0.6176 0.6177 3.7299 3.7300 5.4898 5.4927 5.7976 5.8002 7.9594 7.9609 8.3020 8.3036 15.7279 15.7288 18.0619 18.0633 18.7825 18.7825 21.5350 21.5351 k = 0.5000 0.4321-0.0000 ( 764 PWs) bands (ev): -4.0508 -4.0508 -0.2872 -0.2870 0.6864 0.6865 3.6535 3.6537 5.5157 5.5186 5.7942 5.7968 7.9791 7.9807 8.2842 8.2858 15.7022 15.7030 17.9916 17.9929 18.7330 18.7331 21.4946 21.4947 k = 0.5000 0.4399-0.0000 ( 764 PWs) bands (ev): -3.9977 -3.9977 -0.3596 -0.3594 0.7508 0.7509 3.5820 3.5821 5.5414 5.5442 5.7888 5.7915 7.9981 7.9996 8.2678 8.2693 15.6800 15.6807 17.9287 17.9299 18.6892 18.6892 21.4587 21.4588 k = 0.5000 0.4478-0.0000 ( 768 PWs) bands (ev): -3.9497 -3.9497 -0.4245 -0.4244 0.8099 0.8100 3.5163 3.5164 5.5665 5.5694 5.7816 5.7843 8.0160 8.0174 8.2525 8.2540 15.6610 15.6617 17.8735 17.8745 18.6510 18.6510 21.4275 21.4276 k = 0.5000 0.4557-0.0000 ( 772 PWs) bands (ev): -3.9075 -3.9075 -0.4812 -0.4810 0.8627 0.8627 3.4578 3.4579 5.5910 5.5938 5.7725 5.7752 8.0328 8.0341 8.2384 8.2398 15.6453 15.6459 17.8264 17.8272 18.6185 18.6185 21.4010 21.4011 k = 0.5000 0.4635-0.0000 ( 772 PWs) bands (ev): -3.8718 -3.8717 -0.5287 -0.5286 0.9080 0.9080 3.4077 3.4077 5.6146 5.6174 5.7617 5.7644 8.0481 8.0494 8.2255 8.2268 15.6327 15.6332 17.7874 17.7881 18.5919 18.5919 21.3793 21.3793 k = 0.5000 0.4714-0.0000 ( 776 PWs) bands (ev): -3.8432 -3.8432 -0.5666 -0.5665 0.9447 0.9447 3.3671 3.3671 5.6372 5.6399 5.7491 5.7518 8.0615 8.0626 8.2142 8.2153 15.6230 15.6234 17.7569 17.7574 18.5711 18.5711 21.3623 21.3623 k = 0.5000 0.4792-0.0000 ( 776 PWs) bands (ev): -3.8223 -3.8223 -0.5941 -0.5941 0.9718 0.9718 3.3371 3.3372 5.6584 5.6611 5.7352 5.7378 8.0724 8.0733 8.2050 8.2059 15.6162 15.6164 17.7350 17.7353 18.5562 18.5562 21.3502 21.3502 k = 0.5000 0.4871-0.0000 ( 776 PWs) bands (ev): -3.8096 -3.8096 -0.6108 -0.6108 0.9884 0.9884 3.3188 3.3188 5.6776 5.6800 5.7206 5.7230 8.0798 8.0803 8.1990 8.1994 15.6121 15.6123 17.7218 17.7220 18.5472 18.5472 21.3429 21.3429 k = 0.5000 0.4949-0.0000 ( 776 PWs) bands (ev): -3.8053 -3.8053 -0.6164 -0.6164 0.9940 0.9940 3.3126 3.3126 5.6900 5.6900 5.7121 5.7121 8.0826 8.0826 8.1970 8.1970 15.6108 15.6108 17.7175 17.7175 18.5443 18.5443 21.3405 21.3405 k = 0.5000 0.4949-0.0000 ( 776 PWs) bands (ev): -3.8053 -3.8053 -0.6164 -0.6164 0.9940 0.9940 3.3126 3.3126 5.6900 5.6900 5.7121 5.7121 8.0826 8.0826 8.1970 8.1970 15.6108 15.6108 17.7175 17.7175 18.5443 18.5443 21.3405 21.3405 k = 0.4921 0.4949-0.0000 ( 772 PWs) bands (ev): -3.8070 -3.8070 -0.6257 -0.6256 1.0045 1.0046 3.3159 3.3160 5.6896 5.6897 5.7116 5.7117 8.0814 8.0814 8.1950 8.1950 15.6152 15.6152 17.7188 17.7188 18.5490 18.5490 21.3429 21.3429 k = 0.4841 0.4949-0.0000 ( 772 PWs) bands (ev): -3.8122 -3.8122 -0.6527 -0.6526 1.0351 1.0353 3.3258 3.3259 5.6887 5.6889 5.7101 5.7102 8.0777 8.0778 8.1890 8.1890 15.6281 15.6281 17.7228 17.7229 18.5632 18.5632 21.3500 21.3501 k = 0.4762 0.4949-0.0000 ( 772 PWs) bands (ev): -3.8208 -3.8208 -0.6955 -0.6954 1.0840 1.0843 3.3421 3.3423 5.6873 5.6875 5.7076 5.7078 8.0717 8.0718 8.1791 8.1792 15.6496 15.6497 17.7296 17.7297 18.5867 18.5868 21.3620 21.3621 k = 0.4683 0.4949-0.0000 ( 768 PWs) bands (ev): -3.8327 -3.8327 -0.7517 -0.7515 1.1486 1.1490 3.3648 3.3651 5.6854 5.6857 5.7042 5.7044 8.0633 8.0634 8.1653 8.1655 15.6796 15.6797 17.7394 17.7395 18.6193 18.6193 21.3788 21.3790 k = 0.4603 0.4949-0.0000 ( 764 PWs) bands (ev): -3.8479 -3.8478 -0.8185 -0.8183 1.2262 1.2267 3.3939 3.3943 5.6830 5.6835 5.6998 5.7001 8.0525 8.0527 8.1479 8.1481 15.7179 15.7180 17.7525 17.7526 18.6605 18.6606 21.4003 21.4005 k = 0.4524 0.4949-0.0000 ( 764 PWs) bands (ev): -3.8662 -3.8661 -0.8934 -0.8932 1.3142 1.3147 3.4292 3.4296 5.6804 5.6809 5.6945 5.6948 8.0395 8.0397 8.1270 8.1272 15.7644 15.7645 17.7690 17.7692 18.7101 18.7102 21.4266 21.4269 k = 0.4444 0.4949-0.0000 ( 764 PWs) bands (ev): -3.8876 -3.8875 -0.9745 -0.9742 1.4105 1.4111 3.4705 3.4710 5.6775 5.6781 5.6882 5.6886 8.0243 8.0245 8.1028 8.1030 15.8189 15.8190 17.7893 17.7895 18.7676 18.7677 21.4576 21.4579 k = 0.4365 0.4949-0.0000 ( 760 PWs) bands (ev): -3.9118 -3.9117 -1.0600 -1.0597 1.5133 1.5140 3.5176 3.5182 5.6744 5.6751 5.6811 5.6816 8.0069 8.0071 8.0755 8.0758 15.8810 15.8812 17.8136 17.8139 18.8327 18.8328 21.4934 21.4937 k = 0.4286 0.4949-0.0000 ( 760 PWs) bands (ev): -3.9388 -3.9387 -1.1487 -1.1484 1.6212 1.6220 3.5704 3.5710 5.6709 5.6715 5.6737 5.6744 7.9875 7.9877 8.0454 8.0457 15.9507 15.9509 17.8421 17.8424 18.9049 18.9050 21.5338 21.5342 k = 0.4206 0.4949-0.0000 ( 756 PWs) bands (ev): -3.9684 -3.9683 -1.2395 -1.2392 1.7331 1.7338 3.6285 3.6293 5.6636 5.6640 5.6697 5.6706 7.9661 7.9664 8.0128 8.0132 16.0277 16.0279 17.8750 17.8753 18.9840 18.9841 21.5790 21.5795 k = 0.4127 0.4949-0.0000 ( 756 PWs) bands (ev): -4.0003 -4.0002 -1.3316 -1.3314 1.8478 1.8486 3.6918 3.6926 5.6539 5.6544 5.6675 5.6685 7.9429 7.9432 7.9779 7.9783 16.1115 16.1117 17.9123 17.9126 19.0694 19.0694 21.6287 21.6292 k = 0.4048 0.4949-0.0000 ( 754 PWs) bands (ev): -4.0345 -4.0344 -1.4245 -1.4243 1.9646 1.9655 3.7600 3.7609 5.6433 5.6439 5.6662 5.6674 7.9179 7.9182 7.9411 7.9416 16.2020 16.2023 17.9543 17.9546 19.1608 19.1609 21.6830 21.6835 k = 0.3968 0.4949-0.0000 ( 754 PWs) bands (ev): -4.0707 -4.0706 -1.5177 -1.5174 2.0828 2.0837 3.8327 3.8338 5.6320 5.6326 5.6660 5.6673 7.8912 7.8916 7.9027 7.9032 16.2988 16.2992 18.0009 18.0012 19.2580 19.2580 21.7418 21.7423 k = 0.3889 0.4949-0.0000 ( 754 PWs) bands (ev): -4.1088 -4.1087 -1.6107 -1.6105 2.2016 2.2026 3.9097 3.9109 5.6198 5.6206 5.6672 5.6686 7.8624 7.8624 7.8641 7.8643 16.4018 16.4021 18.0522 18.0525 19.3605 19.3605 21.8051 21.8057 k = 0.3810 0.4949-0.0000 ( 754 PWs) bands (ev): -4.1485 -4.1484 -1.7033 -1.7031 2.3205 2.3216 3.9907 3.9920 5.6070 5.6078 5.6702 5.6716 7.8222 7.8228 7.8338 7.8342 16.5105 16.5108 18.1082 18.1086 19.4681 19.4681 21.8728 21.8734 k = 0.3730 0.4949-0.0000 ( 754 PWs) bands (ev): -4.1897 -4.1896 -1.7952 -1.7950 2.4388 2.4399 4.0753 4.0767 5.5936 5.5945 5.6753 5.6768 7.7810 7.7817 7.8030 7.8034 16.6246 16.6250 18.1689 18.1693 19.5804 19.5804 21.9449 21.9456 k = 0.3651 0.4949-0.0000 ( 754 PWs) bands (ev): -4.2322 -4.2321 -1.8862 -1.8860 2.5559 2.5571 4.1630 4.1646 5.5795 5.5805 5.6830 5.6846 7.7396 7.7403 7.7711 7.7716 16.7439 16.7444 18.2342 18.2346 19.6971 19.6971 22.0214 22.0221 k = 0.3571 0.4949-0.0000 ( 754 PWs) bands (ev): -4.2759 -4.2757 -1.9761 -1.9759 2.6711 2.6723 4.2536 4.2553 5.5650 5.5661 5.6937 5.6955 7.6983 7.6991 7.7383 7.7388 16.8681 16.8686 18.3041 18.3046 19.8179 19.8179 22.1021 22.1028 k = 0.3492 0.4949-0.0000 ( 754 PWs) bands (ev): -4.3204 -4.3203 -2.0649 -2.0647 2.7837 2.7851 4.3465 4.3484 5.5500 5.5512 5.7082 5.7101 7.6575 7.6584 7.7047 7.7052 16.9969 16.9975 18.3786 18.3791 19.9425 19.9426 22.1870 22.1877 k = 0.3413 0.4949-0.0000 ( 754 PWs) bands (ev): -4.3658 -4.3657 -2.1523 -2.1521 2.8932 2.8946 4.4413 4.4434 5.5347 5.5361 5.7267 5.7288 7.6178 7.6187 7.6704 7.6710 17.1301 17.1306 18.4575 18.4580 20.0706 20.0706 22.2760 22.2768 k = 0.3333 0.4949-0.0000 ( 756 PWs) bands (ev): -4.4118 -4.4116 -2.2384 -2.2382 2.9988 3.0003 4.5372 4.5395 5.5193 5.5208 5.7501 5.7523 7.5794 7.5804 7.6356 7.6363 17.2672 17.2678 18.5407 18.5412 20.2017 20.2018 22.3691 22.3698 k = 0.3254 0.4949-0.0000 ( 756 PWs) bands (ev): -4.4583 -4.4581 -2.3229 -2.3227 3.0997 3.1013 4.6338 4.6364 5.5038 5.5056 5.7788 5.7811 7.5430 7.5441 7.6005 7.6012 17.4081 17.4088 18.6281 18.6287 20.3355 20.3356 22.4660 22.4669 k = 0.3175 0.4949-0.0000 ( 756 PWs) bands (ev): -4.5050 -4.5049 -2.4058 -2.4056 3.1954 3.1970 4.7301 4.7330 5.4888 5.4908 5.8133 5.8158 7.5089 7.5101 7.5652 7.5660 17.5525 17.5533 18.7198 18.7204 20.4717 20.4718 22.5669 22.5677 k = 0.3095 0.4949-0.0000 ( 760 PWs) bands (ev): -4.5520 -4.5519 -2.4872 -2.4870 3.2852 3.2868 4.8250 4.8284 5.4744 5.4768 5.8543 5.8569 7.4778 7.4791 7.5301 7.5309 17.7001 17.7010 18.8153 18.8159 20.6098 20.6099 22.6714 22.6722 k = 0.3016 0.4949-0.0000 ( 760 PWs) bands (ev): -4.5991 -4.5989 -2.5668 -2.5666 3.3685 3.3702 4.9173 4.9211 5.4617 5.4644 5.9020 5.9047 7.4503 7.4518 7.4952 7.4960 17.8508 17.8517 18.9147 18.9153 20.7492 20.7494 22.7795 22.7804 k = 0.2937 0.4949-0.0000 ( 760 PWs) bands (ev): -4.6460 -4.6459 -2.6447 -2.6445 3.4448 3.4466 5.0046 5.0091 5.4518 5.4550 5.9568 5.9596 7.4272 7.4287 7.4608 7.4618 18.0042 18.0051 19.0178 19.0185 20.8896 20.8898 22.8911 22.8920 k = 0.2857 0.4949-0.0000 ( 760 PWs) bands (ev): -4.6928 -4.6927 -2.7208 -2.7206 3.5140 3.5157 5.0839 5.0890 5.4472 5.4511 6.0186 6.0215 7.4092 7.4108 7.4274 7.4284 18.1600 18.1611 19.1244 19.1252 21.0302 21.0304 23.0060 23.0068 k = 0.2778 0.4949-0.0000 ( 768 PWs) bands (ev): -4.7393 -4.7392 -2.7951 -2.7949 3.5757 3.5775 5.1498 5.1556 5.4524 5.4568 6.0871 6.0901 7.3950 7.3962 7.3971 7.3990 18.3181 18.3192 19.2345 19.2353 21.1706 21.1708 23.1238 23.1246 k = 0.2698 0.4949-0.0000 ( 768 PWs) bands (ev): -4.7854 -4.7853 -2.8675 -2.8673 3.6301 3.6318 5.1963 5.2022 5.4731 5.4775 6.1620 6.1651 7.3648 7.3660 7.3918 7.3937 18.4782 18.4794 19.3478 19.3486 21.3098 21.3101 23.2445 23.2453 k = 0.2619 0.4949-0.0000 ( 772 PWs) bands (ev): -4.8310 -4.8308 -2.9380 -2.9379 3.6773 3.6790 5.2207 5.2260 5.5110 5.5146 6.2422 6.2454 7.3370 7.3383 7.3943 7.3964 18.6400 18.6413 19.4642 19.4651 21.4471 21.4474 23.3677 23.3685 k = 0.2540 0.4949-0.0000 ( 774 PWs) bands (ev): -4.8760 -4.8759 -3.0066 -3.0065 3.7176 3.7193 5.2274 5.2317 5.5604 5.5630 6.3264 6.3298 7.3129 7.3143 7.4055 7.4077 18.8033 18.8047 19.5835 19.5844 21.5815 21.5818 23.4931 23.4938 k = 0.2460 0.4949-0.0000 ( 778 PWs) bands (ev): -4.9203 -4.9202 -3.0733 -3.0732 3.7515 3.7532 5.2230 5.2265 5.6133 5.6149 6.4126 6.4161 7.2939 7.2955 7.4262 7.4285 18.9678 18.9693 19.7055 19.7065 21.7118 21.7121 23.6201 23.6208 k = 0.2381 0.4949-0.0000 ( 778 PWs) bands (ev): -4.9639 -4.9637 -3.1380 -3.1379 3.7795 3.7812 5.2124 5.2153 5.6641 5.6650 6.4979 6.5014 7.2825 7.2843 7.4570 7.4593 19.1333 19.1350 19.8300 19.8310 21.8368 21.8371 23.7481 23.7487 k = 0.2302 0.4949-0.0000 ( 772 PWs) bands (ev): -5.0066 -5.0064 -3.2007 -3.2006 3.8022 3.8038 5.1983 5.2007 5.7098 5.7102 6.5782 6.5818 7.2822 7.2841 7.4982 7.5007 19.2996 19.3014 19.9569 19.9580 21.9549 21.9552 23.8764 23.8769 k = 0.2222 0.4949-0.0000 ( 768 PWs) bands (ev): -5.0484 -5.0482 -3.2615 -3.2613 3.8201 3.8216 5.1821 5.1841 5.7488 5.7488 6.6484 6.6519 7.2976 7.2994 7.5497 7.5522 19.4664 19.4683 20.0858 20.0869 22.0646 22.0649 24.0036 24.0040 k = 0.2143 0.4949-0.0000 ( 768 PWs) bands (ev): -5.0892 -5.0891 -3.3202 -3.3200 3.8337 3.8351 5.1645 5.1662 5.7802 5.7805 6.7030 6.7064 7.3333 7.3350 7.6111 7.6136 19.6333 19.6353 20.2163 20.2176 22.1635 22.1638 24.1280 24.1282 k = 0.2063 0.4949-0.0000 ( 768 PWs) bands (ev): -5.1290 -5.1289 -3.3768 -3.3767 3.8437 3.8450 5.1462 5.1477 5.8046 5.8051 6.7391 6.7421 7.3918 7.3933 7.6816 7.6841 19.8000 19.8022 20.3484 20.3497 22.2499 22.2501 24.2470 24.2470 k = 0.1984 0.4949-0.0000 ( 764 PWs) bands (ev): -5.1677 -5.1676 -3.4315 -3.4314 3.8504 3.8517 5.1275 5.1288 5.8225 5.8231 6.7576 6.7602 7.4716 7.4727 7.7604 7.7629 19.9663 19.9686 20.4815 20.4830 22.3215 22.3217 24.3562 24.3564 k = 0.1905 0.4949-0.0000 ( 764 PWs) bands (ev): -5.2052 -5.2051 -3.4840 -3.4839 3.8544 3.8556 5.1085 5.1097 5.8345 5.8352 6.7622 6.7643 7.5682 7.5689 7.8462 7.8486 20.1317 20.1343 20.6150 20.6167 22.3765 22.3766 24.4496 24.4502 k = 0.1825 0.4949-0.0000 ( 764 PWs) bands (ev): -5.2416 -5.2415 -3.5345 -3.5344 3.8561 3.8572 5.0895 5.0906 5.8414 5.8421 6.7570 6.7588 7.6768 7.6772 7.9378 7.9401 20.2959 20.2987 20.7485 20.7503 22.4134 22.4136 24.5182 24.5192 k = 0.1746 0.4949-0.0000 ( 764 PWs) bands (ev): -5.2767 -5.2766 -3.5829 -3.5828 3.8558 3.8569 5.0706 5.0715 5.8440 5.8448 6.7455 6.7470 7.7933 7.7935 8.0340 8.0362 20.4586 20.4615 20.8809 20.8830 22.4316 22.4321 24.5515 24.5529 k = 0.1667 0.4949-0.0000 ( 764 PWs) bands (ev): -5.3105 -5.3104 -3.6293 -3.6292 3.8539 3.8549 5.0519 5.0528 5.8432 5.8440 6.7301 6.7314 7.9149 7.9149 8.1337 8.1358 20.6190 20.6222 21.0109 21.0133 22.4322 22.4330 24.5425 24.5441 k = 0.1587 0.4949-0.0000 ( 760 PWs) bands (ev): -5.3430 -5.3429 -3.6734 -3.6734 3.8507 3.8517 5.0335 5.0343 5.8396 5.8404 6.7123 6.7134 8.0394 8.0395 8.2358 8.2378 20.7769 20.7803 21.1367 21.1395 22.4177 22.4190 24.4931 24.4949 k = 0.1508 0.4949-0.0000 ( 760 PWs) bands (ev): -5.3741 -5.3740 -3.7156 -3.7155 3.8465 3.8474 5.0155 5.0162 5.8339 5.8346 6.6931 6.6941 8.1652 8.1654 8.3392 8.3411 20.9313 20.9350 21.2551 21.2583 22.3928 22.3946 24.4138 24.4156 k = 0.1429 0.4949-0.0000 ( 764 PWs) bands (ev): -5.4038 -5.4037 -3.7556 -3.7555 3.8413 3.8422 4.9980 4.9986 5.8266 5.8273 6.6734 6.6742 8.2912 8.2914 8.4430 8.4449 21.0816 21.0855 21.3610 21.3648 22.3648 22.3673 24.3165 24.3185 k = 0.1349 0.4949-0.0000 ( 760 PWs) bands (ev): -5.4320 -5.4320 -3.7934 -3.7934 3.8357 3.8364 4.9811 4.9816 5.8181 5.8188 6.6536 6.6543 8.4163 8.4166 8.5465 8.5482 21.2269 21.2310 21.4469 21.4513 22.3444 22.3477 24.2113 24.2134 k = 0.1270 0.4949-0.0000 ( 760 PWs) bands (ev): -5.4589 -5.4588 -3.8292 -3.8291 3.8295 3.8302 4.9646 4.9652 5.8088 5.8094 6.6340 6.6347 8.5395 8.5399 8.6487 8.6503 21.3659 21.3702 21.5029 21.5077 22.3444 22.3482 24.1053 24.1075 k = 0.1190 0.4949-0.0000 ( 760 PWs) bands (ev): -5.4842 -5.4841 -3.8628 -3.8627 3.8231 3.8238 4.9490 4.9494 5.7991 5.7997 6.6150 6.6155 8.6602 8.6606 8.7489 8.7504 21.4971 21.5017 21.5211 21.5260 22.3756 22.3797 24.0038 24.0062 k = 0.1111 0.4949-0.0000 ( 760 PWs) bands (ev): -5.5079 -5.5079 -3.8942 -3.8942 3.8166 3.8172 4.9340 4.9345 5.7892 5.7898 6.5966 6.5971 8.7775 8.7778 8.8464 8.8479 21.5018 21.5065 21.6189 21.6238 22.4402 22.4441 23.9113 23.9138 k = 0.1032 0.4949-0.0000 ( 768 PWs) bands (ev): -5.5302 -5.5301 -3.9236 -3.9235 3.8101 3.8106 4.9198 4.9202 5.7793 5.7798 6.5791 6.5795 8.8906 8.8909 8.9404 8.9417 21.4537 21.4578 21.7292 21.7343 22.5316 22.5351 23.8314 23.8341 k = 0.0952 0.4949-0.0000 ( 768 PWs) bands (ev): -5.5509 -5.5508 -3.9507 -3.9507 3.8037 3.8042 4.9065 4.9069 5.7697 5.7702 6.5626 6.5630 8.9989 8.9993 9.0305 9.0318 21.3871 21.3907 21.8259 21.8311 22.6411 22.6442 23.7676 23.7704 k = 0.0873 0.4949-0.0000 ( 764 PWs) bands (ev): -5.5699 -5.5699 -3.9757 -3.9757 3.7975 3.7979 4.8942 4.8945 5.7605 5.7609 6.5471 6.5475 9.1017 9.1021 9.1160 9.1172 21.3106 21.3137 21.9069 21.9122 22.7617 22.7644 23.7230 23.7259 k = 0.0794 0.4949-0.0000 ( 760 PWs) bands (ev): -5.5874 -5.5874 -3.9985 -3.9985 3.7915 3.7920 4.8827 4.8830 5.7517 5.7521 6.5329 6.5332 9.1965 9.1975 9.1984 9.1988 21.2301 21.2327 21.9706 21.9757 22.8887 22.8911 23.6998 23.7026 k = 0.0714 0.4949-0.0000 ( 756 PWs) bands (ev): -5.6033 -5.6032 -4.0192 -4.0191 3.7860 3.7864 4.8722 4.8725 5.7435 5.7439 6.5198 6.5200 9.2711 9.2720 9.2882 9.2886 21.1497 21.1519 22.0164 22.0213 23.0188 23.0210 23.6990 23.7015 k = 0.0635 0.4949-0.0000 ( 756 PWs) bands (ev): -5.6175 -5.6175 -4.0377 -4.0377 3.7809 3.7812 4.8627 4.8629 5.7360 5.7363 6.5079 6.5082 9.3393 9.3402 9.3706 9.3709 21.0722 21.0740 22.0453 22.0498 23.1499 23.1518 23.7196 23.7219 k = 0.0556 0.4949-0.0000 ( 756 PWs) bands (ev): -5.6301 -5.6301 -4.0540 -4.0540 3.7762 3.7765 4.8542 4.8544 5.7292 5.7295 6.4974 6.4976 9.4008 9.4015 9.4449 9.4452 20.9998 21.0014 22.0598 22.0638 23.2802 23.2819 23.7594 23.7612 k = 0.0476 0.4949-0.0000 ( 756 PWs) bands (ev): -5.6410 -5.6410 -4.0682 -4.0682 3.7721 3.7724 4.8468 4.8470 5.7233 5.7235 6.4882 6.4884 9.4551 9.4557 9.5106 9.5108 20.9343 20.9356 22.0633 22.0667 23.4078 23.4094 23.8145 23.8158 k = 0.0397 0.4949-0.0000 ( 756 PWs) bands (ev): -5.6503 -5.6503 -4.0802 -4.0801 3.7686 3.7688 4.8405 4.8407 5.7181 5.7183 6.4804 6.4806 9.5017 9.5023 9.5672 9.5674 20.8769 20.8779 22.0594 22.0623 23.5310 23.5324 23.8804 23.8812 k = 0.0317 0.4949-0.0000 ( 754 PWs) bands (ev): -5.6579 -5.6579 -4.0900 -4.0899 3.7656 3.7658 4.8354 4.8355 5.7139 5.7141 6.4740 6.4741 9.5405 9.5410 9.6142 9.6143 20.8287 20.8295 22.0516 22.0539 23.6471 23.6483 23.9521 23.9525 k = 0.0238 0.4949-0.0000 ( 754 PWs) bands (ev): -5.6638 -5.6638 -4.0976 -4.0976 3.7633 3.7634 4.8313 4.8314 5.7106 5.7107 6.4690 6.4691 9.5709 9.5713 9.6511 9.6512 20.7903 20.7909 22.0428 22.0445 23.7521 23.7532 24.0240 24.0240 k = 0.0159 0.4949-0.0000 ( 754 PWs) bands (ev): -5.6680 -5.6680 -4.1030 -4.1030 3.7617 3.7617 4.8284 4.8285 5.7082 5.7083 6.4654 6.4655 9.5929 9.5931 9.6777 9.6778 20.7625 20.7629 22.0351 22.0362 23.8399 23.8407 24.0884 24.0885 k = 0.0079 0.4949-0.0000 ( 754 PWs) bands (ev): -5.6706 -5.6706 -4.1063 -4.1063 3.7607 3.7607 4.8267 4.8267 5.7068 5.7068 6.4633 6.4633 9.6061 9.6062 9.6938 9.6939 20.7457 20.7459 22.0300 22.0305 23.9007 23.9012 24.1354 24.1355 k = 0.0000 0.4949-0.0000 ( 754 PWs) bands (ev): -5.6714 -5.6714 -4.1074 -4.1074 3.7603 3.7603 4.8261 4.8261 5.7063 5.7063 6.4626 6.4626 9.6106 9.6106 9.6992 9.6992 20.7402 20.7402 22.0283 22.0283 23.9231 23.9231 24.1531 24.1531 k = 0.0000 0.4949-0.0000 ( 754 PWs) bands (ev): -5.6714 -5.6714 -4.1074 -4.1074 3.7603 3.7603 4.8261 4.8261 5.7063 5.7063 6.4626 6.4626 9.6106 9.6106 9.6992 9.6992 20.7402 20.7402 22.0283 22.0283 23.9231 23.9231 24.1531 24.1531 k = 0.0000 0.4871-0.0000 ( 754 PWs) bands (ev): -5.6810 -5.6810 -4.0968 -4.0967 3.7533 3.7533 4.8226 4.8226 5.7106 5.7107 6.4730 6.4730 9.5673 9.5673 9.7424 9.7424 20.7358 20.7358 22.0306 22.0308 23.9051 23.9051 24.1315 24.1316 k = 0.0000 0.4792-0.0000 ( 754 PWs) bands (ev): -5.7090 -5.7090 -4.0656 -4.0656 3.7327 3.7328 4.8114 4.8115 5.7243 5.7244 6.5036 6.5036 9.4972 9.4972 9.8119 9.8119 20.7227 20.7228 22.0375 22.0377 23.8556 23.8556 24.0741 24.0742 k = 0.0000 0.4714-0.0000 ( 754 PWs) bands (ev): -5.7533 -5.7533 -4.0160 -4.0159 3.7000 3.7001 4.7915 4.7915 5.7494 5.7496 6.5521 6.5522 9.4236 9.4236 9.8847 9.8847 20.7015 20.7016 22.0484 22.0488 23.7836 23.7836 23.9940 23.9941 k = 0.0000 0.4635-0.0000 ( 754 PWs) bands (ev): -5.8112 -5.8112 -3.9507 -3.9506 3.6570 3.6572 4.7617 4.7617 5.7880 5.7882 6.6159 6.6159 9.3489 9.3489 9.9582 9.9582 20.6726 20.6728 22.0628 22.0632 23.6975 23.6975 23.9003 23.9005 k = 0.0000 0.4557-0.0000 ( 762 PWs) bands (ev): -5.8799 -5.8799 -3.8726 -3.8726 3.6059 3.6062 4.7218 4.7220 5.8408 5.8409 6.6920 6.6920 9.2739 9.2739 10.0317 10.0317 20.6368 20.6370 22.0795 22.0801 23.6030 23.6030 23.7982 23.7983 k = 0.0000 0.4478-0.0000 ( 762 PWs) bands (ev): -5.9569 -5.9569 -3.7843 -3.7843 3.5487 3.5491 4.6727 4.6730 5.9074 5.9074 6.7781 6.7782 9.1989 9.1989 10.1049 10.1049 20.5950 20.5952 22.0980 22.0987 23.5037 23.5037 23.6910 23.6912 k = 0.0000 0.4399-0.0000 ( 762 PWs) bands (ev): -6.0399 -6.0399 -3.6881 -3.6880 3.4873 3.4877 4.6158 4.6161 5.9866 5.9867 6.8723 6.8724 9.1239 9.1240 10.1776 10.1776 20.5480 20.5482 22.1172 22.1179 23.4016 23.4016 23.5805 23.5806 k = 0.0000 0.4321-0.0000 ( 758 PWs) bands (ev): -6.1274 -6.1274 -3.5857 -3.5856 3.4230 3.4235 4.5526 4.5531 6.0768 6.0770 6.9732 6.9734 9.0492 9.0492 10.2498 10.2498 20.4964 20.4967 22.1361 22.1369 23.2983 23.2983 23.4677 23.4679 k = 0.0000 0.4242-0.0000 ( 758 PWs) bands (ev): -6.2180 -6.2179 -3.4785 -3.4784 3.3573 3.3578 4.4848 4.4853 6.1765 6.1768 7.0795 7.0798 8.9747 8.9747 10.3214 10.3214 20.4409 20.4412 22.1537 22.1545 23.1944 23.1944 23.3537 23.3538 k = 0.0000 0.4164-0.0000 ( 756 PWs) bands (ev): -6.3107 -6.3106 -3.3678 -3.3677 3.2911 3.2917 4.4136 4.4143 6.2841 6.2845 7.1904 7.1908 8.9006 8.9006 10.3923 10.3923 20.3822 20.3825 22.1690 22.1700 23.0907 23.0907 23.2391 23.2392 k = 0.0000 0.4085-0.0000 ( 756 PWs) bands (ev): -6.4047 -6.4046 -3.2544 -3.2543 3.2253 3.2261 4.3402 4.3410 6.3985 6.3991 7.3053 7.3057 8.8269 8.8269 10.4624 10.4624 20.3207 20.3210 22.1812 22.1822 22.9875 22.9875 23.1247 23.1247 k = 0.0000 0.4007-0.0000 ( 756 PWs) bands (ev): -6.4994 -6.4993 -3.1392 -3.1391 3.1607 3.1615 4.2655 4.2664 6.5188 6.5194 7.4235 7.4240 8.7537 8.7537 10.5317 10.5317 20.2569 20.2572 22.1892 22.1903 22.8851 22.8851 23.0111 23.0111 k = 0.0000 0.3928-0.0000 ( 760 PWs) bands (ev): -6.5943 -6.5943 -3.0229 -3.0228 3.0978 3.0987 4.1902 4.1912 6.6440 6.6448 7.5447 7.5453 8.6811 8.6811 10.6000 10.6000 20.1911 20.1914 22.1917 22.1929 22.7838 22.7838 22.8991 22.8991 k = 0.0000 0.3850-0.0000 ( 758 PWs) bands (ev): -6.6891 -6.6890 -2.9061 -2.9059 3.0372 3.0383 4.1149 4.1161 6.7737 6.7746 7.6685 7.6693 8.6090 8.6090 10.6674 10.6674 20.1237 20.1240 22.1875 22.1888 22.6836 22.6837 22.7900 22.7901 k = 0.0000 0.3771-0.0000 ( 758 PWs) bands (ev): -6.7834 -6.7833 -2.7893 -2.7891 2.9794 2.9806 4.0401 4.0415 6.9072 6.9082 7.7948 7.7956 8.5376 8.5376 10.7338 10.7338 20.0550 20.0552 22.1745 22.1759 22.5849 22.5850 22.6853 22.6855 k = 0.0000 0.3692-0.0000 ( 756 PWs) bands (ev): -6.8769 -6.8769 -2.6730 -2.6728 2.9247 2.9260 3.9663 3.9678 7.0440 7.0452 7.9232 7.9242 8.4670 8.4670 10.7991 10.7991 19.9851 19.9854 22.1503 22.1518 22.4876 22.4877 22.5872 22.5875 k = 0.0000 0.3614-0.0000 ( 756 PWs) bands (ev): -6.9696 -6.9696 -2.5579 -2.5577 2.8735 2.8750 3.8939 3.8956 7.1840 7.1852 8.0536 8.0547 8.3971 8.3971 10.8632 10.8632 19.9142 19.9145 22.1118 22.1133 22.3919 22.3920 22.4986 22.4989 k = 0.0000 0.3535-0.0000 ( 756 PWs) bands (ev): -7.0612 -7.0612 -2.4443 -2.4441 2.8261 2.8278 3.8233 3.8251 7.3266 7.3280 8.1858 8.1870 8.3280 8.3280 10.9262 10.9262 19.8426 19.8428 22.0566 22.0581 22.2978 22.2979 22.4215 22.4217 k = 0.0000 0.3457-0.0000 ( 756 PWs) bands (ev): -7.1516 -7.1516 -2.3329 -2.3327 2.7828 2.7846 3.7548 3.7568 7.4716 7.4731 8.2597 8.2598 8.3197 8.3211 10.9880 10.9880 19.7702 19.7704 21.9848 21.9861 22.2053 22.2055 22.3555 22.3556 k = 0.0000 0.3378-0.0000 ( 756 PWs) bands (ev): -7.2406 -7.2406 -2.2241 -2.2238 2.7436 2.7456 3.6890 3.6911 7.6188 7.6205 8.1925 8.1925 8.4552 8.4567 11.0485 11.0485 19.6972 19.6975 21.8994 21.9004 22.1147 22.1148 22.2973 22.2975 k = 0.0000 0.3300-0.0000 ( 752 PWs) bands (ev): -7.3282 -7.3282 -2.1183 -2.1181 2.7088 2.7109 3.6263 3.6286 7.7680 7.7699 8.1261 8.1261 8.5921 8.5938 11.1077 11.1077 19.6238 19.6240 21.8045 21.8054 22.0258 22.0259 22.2424 22.2428 k = 0.0000 0.3221-0.0000 ( 748 PWs) bands (ev): -7.4143 -7.4142 -2.0161 -2.0159 2.6781 2.6805 3.5673 3.5698 7.9189 7.9209 8.0609 8.0609 8.7304 8.7322 11.1655 11.1655 19.5498 19.5500 21.7035 21.7043 21.9387 21.9388 22.1872 22.1878 k = 0.0000 0.3142-0.0000 ( 748 PWs) bands (ev): -7.4987 -7.4987 -1.9180 -1.9177 2.6515 2.6541 3.5126 3.5154 7.9966 7.9966 8.0714 8.0736 8.8700 8.8720 11.2220 11.2220 19.4752 19.4754 21.5991 21.5997 21.8535 21.8535 22.1290 22.1298 k = 0.0000 0.3064-0.0000 ( 748 PWs) bands (ev): -7.5815 -7.5815 -1.8244 -1.8241 2.6285 2.6314 3.4633 3.4662 7.9334 7.9334 8.2252 8.2275 9.0108 9.0129 11.2771 11.2771 19.4002 19.4004 21.4925 21.4931 21.7701 21.7702 22.0662 22.0671 k = 0.0000 0.2985-0.0000 ( 748 PWs) bands (ev): -7.6626 -7.6626 -1.7357 -1.7354 2.6086 2.6117 3.4202 3.4234 7.8713 7.8713 8.3802 8.3827 9.1527 9.1550 11.3307 11.3307 19.3246 19.3247 21.3848 21.3853 21.6887 21.6887 21.9976 21.9986 k = 0.0000 0.2907-0.0000 ( 748 PWs) bands (ev): -7.7420 -7.7419 -1.6523 -1.6520 2.5909 2.5942 3.3846 3.3880 7.8104 7.8104 8.5361 8.5388 9.2957 9.2982 11.3829 11.3829 19.2483 19.2484 21.2767 21.2771 21.6092 21.6092 21.9227 21.9238 k = 0.0000 0.2828-0.0000 ( 748 PWs) bands (ev): -7.8195 -7.8195 -1.5745 -1.5742 2.5743 2.5778 3.3579 3.3615 7.7507 7.7507 8.6928 8.6957 9.4397 9.4424 11.4335 11.4336 19.1713 19.1714 21.1684 21.1687 21.5316 21.5317 21.8410 21.8422 k = 0.0000 0.2750-0.0000 ( 752 PWs) bands (ev): -7.8952 -7.8951 -1.5027 -1.5023 2.5576 2.5612 3.3416 3.3453 7.6922 7.6922 8.8501 8.8531 9.5846 9.5875 11.4827 11.4827 19.0934 19.0935 21.0603 21.0605 21.4561 21.4561 21.7524 21.7537 k = 0.0000 0.2671-0.0000 ( 752 PWs) bands (ev): -7.9689 -7.9689 -1.4369 -1.4366 2.5396 2.5433 3.3370 3.3407 7.6350 7.6350 9.0078 9.0110 9.7305 9.7336 11.5304 11.5304 19.0145 19.0145 20.9526 20.9527 21.3825 21.3825 21.6571 21.6585 k = 0.0000 0.2593-0.0000 ( 748 PWs) bands (ev): -8.0408 -8.0407 -1.3773 -1.3769 2.5193 2.5229 3.3451 3.3488 7.5791 7.5791 9.1657 9.1692 9.8773 9.8806 11.5765 11.5765 18.9344 18.9344 20.8454 20.8455 21.3109 21.3110 21.5553 21.5568 k = 0.0000 0.2514-0.0000 ( 748 PWs) bands (ev): -8.1107 -8.1106 -1.3239 -1.3235 2.4960 2.4996 3.3664 3.3700 7.5246 7.5246 9.3235 9.3272 10.0249 10.0284 11.6211 11.6211 18.8527 18.8528 20.7389 20.7389 21.2414 21.2415 21.4475 21.4490 k = 0.0000 0.2435-0.0000 ( 746 PWs) bands (ev): -8.1786 -8.1786 -1.2766 -1.2762 2.4697 2.4731 3.4010 3.4045 7.4714 7.4714 9.4810 9.4849 10.1732 10.1770 11.6642 11.6642 18.7694 18.7694 20.6331 20.6332 21.1739 21.1740 21.3344 21.3359 k = 0.0000 0.2357-0.0000 ( 746 PWs) bands (ev): -8.2445 -8.2445 -1.2352 -1.2348 2.4403 2.4436 3.4483 3.4516 7.4197 7.4197 9.6381 9.6422 10.3223 10.3263 11.7057 11.7057 18.6841 18.6841 20.5282 20.5282 21.1085 21.1085 21.2166 21.2182 k = 0.0000 0.2278-0.0000 ( 746 PWs) bands (ev): -8.3085 -8.3085 -1.1996 -1.1991 2.4085 2.4115 3.5075 3.5106 7.3693 7.3693 9.7943 9.7986 10.4720 10.4762 11.7456 11.7456 18.5963 18.5964 20.4242 20.4243 21.0451 21.0452 21.0953 21.0969 k = 0.0000 0.2200-0.0000 ( 742 PWs) bands (ev): -8.3704 -8.3704 -1.1692 -1.1688 2.3749 2.3776 3.5776 3.5804 7.3205 7.3205 9.9495 9.9541 10.6223 10.6268 11.7841 11.7841 18.5060 18.5060 20.3213 20.3215 20.9708 20.9728 20.9841 20.9844 k = 0.0000 0.2121-0.0000 ( 742 PWs) bands (ev): -8.4302 -8.4302 -1.1440 -1.1435 2.3398 2.3424 3.6574 3.6600 7.2731 7.2731 10.1035 10.1082 10.7732 10.7778 11.8209 11.8209 18.4126 18.4127 20.2197 20.2199 20.8459 20.8477 20.9247 20.9248 k = 0.0000 0.2043-0.0000 ( 742 PWs) bands (ev): -8.4880 -8.4880 -1.1234 -1.1229 2.3039 2.3063 3.7458 3.7482 7.2273 7.2273 10.2559 10.2608 10.9245 10.9293 11.8562 11.8562 18.3159 18.3160 20.1194 20.1197 20.7203 20.7221 20.8676 20.8677 k = 0.0000 0.1964-0.0000 ( 742 PWs) bands (ev): -8.5437 -8.5437 -1.1070 -1.1066 2.2677 2.2698 3.8417 3.8439 7.1829 7.1829 10.4064 10.4115 11.0761 11.0811 11.8900 11.8900 18.2156 18.2157 20.0208 20.0211 20.5955 20.5973 20.8126 20.8127 k = 0.0000 0.1885-0.0000 ( 742 PWs) bands (ev): -8.5973 -8.5973 -1.0944 -1.0940 2.2315 2.2335 3.9441 3.9461 7.1402 7.1402 10.5549 10.5601 11.2279 11.2331 11.9223 11.9223 18.1114 18.1115 19.9239 19.9243 20.4726 20.4745 20.7598 20.7598 k = 0.0000 0.1807-0.0000 ( 742 PWs) bands (ev): -8.6487 -8.6487 -1.0853 -1.0849 2.1956 2.1975 4.0519 4.0538 7.0990 7.0990 10.7010 10.7063 11.3798 11.3851 11.9530 11.9531 18.0032 18.0034 19.8291 19.8295 20.3526 20.3545 20.7090 20.7090 k = 0.0000 0.1728-0.0000 ( 744 PWs) bands (ev): -8.6981 -8.6981 -1.0791 -1.0787 2.1604 2.1621 4.1643 4.1661 7.0594 7.0594 10.8443 10.8498 11.5314 11.5369 11.9823 11.9823 17.8910 17.8912 19.7364 19.7369 20.2362 20.2381 20.6604 20.6604 k = 0.0000 0.1650-0.0000 ( 744 PWs) bands (ev): -8.7454 -8.7453 -1.0756 -1.0752 2.1260 2.1275 4.2804 4.2820 7.0214 7.0214 10.9848 10.9903 11.6827 11.6883 12.0101 12.0101 17.7750 17.7751 19.6462 19.6468 20.1243 20.1262 20.6139 20.6139 k = 0.0000 0.1571-0.0000 ( 744 PWs) bands (ev): -8.7904 -8.7904 -1.0743 -1.0739 2.0926 2.0940 4.3992 4.4007 6.9851 6.9851 11.1220 11.1276 11.8332 11.8389 12.0364 12.0365 17.6553 17.6555 19.5587 19.5593 20.0174 20.0193 20.5695 20.5695 k = 0.0000 0.1493-0.0000 ( 746 PWs) bands (ev): -8.8334 -8.8334 -1.0748 -1.0745 2.0603 2.0616 4.5199 4.5213 6.9504 6.9504 11.2557 11.2613 11.9825 11.9885 12.0613 12.0616 17.5324 17.5325 19.4741 19.4746 19.9159 19.9177 20.5273 20.5273 k = 0.0000 0.1414-0.0000 ( 746 PWs) bands (ev): -8.8742 -8.8742 -1.0770 -1.0766 2.0293 2.0305 4.6416 4.6429 6.9174 6.9174 11.3856 11.3911 12.0840 12.0847 12.1318 12.1367 17.4069 17.4071 19.3923 19.3928 19.8202 19.8220 20.4872 20.4872 k = 0.0000 0.1336-0.0000 ( 742 PWs) bands (ev): -8.9128 -8.9128 -1.0804 -1.0801 1.9996 2.0007 4.7636 4.7648 6.8861 6.8861 11.5115 11.5170 12.1066 12.1068 12.2777 12.2830 17.2796 17.2798 19.3137 19.3141 19.7305 19.7323 20.4493 20.4493 k = 0.0000 0.1257-0.0000 ( 742 PWs) bands (ev): -8.9492 -8.9492 -1.0848 -1.0845 1.9714 1.9724 4.8849 4.8861 6.8565 6.8565 11.6329 11.6383 12.1273 12.1275 12.4217 12.4270 17.1513 17.1515 19.2381 19.2384 19.6470 19.6487 20.4135 20.4135 k = 0.0000 0.1178-0.0000 ( 742 PWs) bands (ev): -8.9835 -8.9835 -1.0900 -1.0897 1.9446 1.9455 5.0049 5.0059 6.8287 6.8287 11.7495 11.7548 12.1466 12.1468 12.5629 12.5682 17.0230 17.0232 19.1657 19.1659 19.5697 19.5713 20.3798 20.3799 k = 0.0000 0.1100-0.0000 ( 738 PWs) bands (ev): -9.0156 -9.0156 -1.0957 -1.0954 1.9194 1.9203 5.1226 5.1236 6.8026 6.8026 11.8611 11.8663 12.1647 12.1649 12.7008 12.7060 16.8958 16.8959 19.0966 19.0967 19.4986 19.5002 20.3484 20.3484 k = 0.0000 0.1021-0.0000 ( 738 PWs) bands (ev): -9.0454 -9.0454 -1.1018 -1.1015 1.8958 1.8966 5.2374 5.2383 6.7782 6.7782 11.9673 11.9722 12.1813 12.1815 12.8346 12.8397 16.7705 16.7707 19.0308 19.0309 19.4336 19.4350 20.3191 20.3191 k = 0.0000 0.0943-0.0000 ( 738 PWs) bands (ev): -9.0731 -9.0731 -1.1080 -1.1078 1.8738 1.8745 5.3482 5.3490 6.7556 6.7556 12.0675 12.0724 12.1967 12.1969 12.9638 12.9686 16.6486 16.6487 18.9685 18.9687 19.3747 19.3760 20.2919 20.2919 k = 0.0000 0.0864-0.0000 ( 738 PWs) bands (ev): -9.0986 -9.0986 -1.1143 -1.1141 1.8535 1.8541 5.4542 5.4550 6.7347 6.7347 12.1613 12.1661 12.2110 12.2115 13.0875 13.0921 16.5310 16.5311 18.9100 18.9104 19.3215 19.3227 20.2669 20.2670 k = 0.0000 0.0786-0.0000 ( 738 PWs) bands (ev): -9.1219 -9.1219 -1.1204 -1.1202 1.8349 1.8354 5.5548 5.5555 6.7157 6.7157 12.2218 12.2227 12.2514 12.2546 13.2050 13.2094 16.4188 16.4189 18.8556 18.8561 19.2740 19.2751 20.2441 20.2441 k = 0.0000 0.0707-0.0000 ( 742 PWs) bands (ev): -9.1430 -9.1430 -1.1263 -1.1261 1.8179 1.8184 5.6489 5.6495 6.6984 6.6984 12.2343 12.2345 12.3311 12.3347 13.3154 13.3195 16.3132 16.3132 18.8055 18.8061 19.2318 19.2328 20.2234 20.2235 k = 0.0000 0.0628-0.0000 ( 738 PWs) bands (ev): -9.1619 -9.1618 -1.1318 -1.1317 1.8027 1.8032 5.7359 5.7365 6.6829 6.6829 12.2448 12.2449 12.4045 12.4079 13.4179 13.4217 16.2151 16.2151 18.7601 18.7607 19.1948 19.1957 20.2050 20.2050 k = 0.0000 0.0550-0.0000 ( 740 PWs) bands (ev): -9.1785 -9.1785 -1.1369 -1.1368 1.7893 1.7897 5.8149 5.8154 6.6693 6.6693 12.2538 12.2539 12.4704 12.4734 13.5116 13.5151 16.1255 16.1256 18.7194 18.7201 19.1627 19.1634 20.1886 20.1886 k = 0.0000 0.0471-0.0000 ( 742 PWs) bands (ev): -9.1930 -9.1930 -1.1415 -1.1414 1.7776 1.7779 5.8851 5.8855 6.6574 6.6574 12.2616 12.2617 12.5282 12.5309 13.5955 13.5985 16.0456 16.0456 18.6840 18.6847 19.1353 19.1359 20.1668 20.1675 k = 0.0000 0.0393-0.0000 ( 739 PWs) bands (ev): -9.2052 -9.2052 -1.1455 -1.1454 1.7677 1.7680 5.9458 5.9462 6.6474 6.6474 12.2683 12.2683 12.5779 12.5802 13.6685 13.6712 15.9761 15.9761 18.6539 18.6545 19.1123 19.1128 20.1004 20.1010 k = 0.0000 0.0314-0.0000 ( 739 PWs) bands (ev): -9.2152 -9.2152 -1.1488 -1.1487 1.7596 1.7598 5.9965 5.9968 6.6392 6.6392 12.2736 12.2737 12.6190 12.6208 13.7300 13.7321 15.9179 15.9179 18.6292 18.6298 19.0938 19.0942 20.0435 20.0439 k = 0.0000 0.0236-0.0000 ( 737 PWs) bands (ev): -9.2229 -9.2229 -1.1514 -1.1513 1.7533 1.7535 6.0366 6.0368 6.6328 6.6328 12.2779 12.2779 12.6512 12.6526 13.7789 13.7806 15.8718 15.8718 18.6100 18.6105 19.0795 19.0798 19.9980 19.9984 k = 0.0000 0.0157-0.0000 ( 739 PWs) bands (ev): -9.2285 -9.2285 -1.1533 -1.1533 1.7488 1.7489 6.0655 6.0656 6.6282 6.6282 12.2808 12.2808 12.6744 12.6754 13.8145 13.8156 15.8383 15.8383 18.5963 18.5967 19.0694 19.0696 19.9649 19.9651 k = 0.0000 0.0079-0.0000 ( 735 PWs) bands (ev): -9.2318 -9.2318 -1.1544 -1.1544 1.7462 1.7462 6.0831 6.0831 6.6254 6.6254 12.2826 12.2826 12.6886 12.6891 13.8364 13.8369 15.8181 15.8181 18.5883 18.5884 19.0633 19.0634 19.9448 19.9450 k = 0.0000 0.0000 0.0000 ( 733 PWs) bands (ev): -9.2329 -9.2329 -1.1548 -1.1548 1.7453 1.7453 6.0890 6.0890 6.6245 6.6245 12.2832 12.2832 12.6935 12.6935 13.8439 13.8439 15.8113 15.8113 18.5857 18.5857 19.0614 19.0614 19.9381 19.9381 k = 0.0000 0.0000 0.0000 ( 733 PWs) bands (ev): -9.2329 -9.2329 -1.1548 -1.1548 1.7453 1.7453 6.0890 6.0890 6.6245 6.6245 12.2832 12.2832 12.6935 12.6935 13.8439 13.8439 15.8113 15.8113 18.5857 18.5857 19.0614 19.0614 19.9381 19.9381 k = 0.0000 0.0000 0.0079 ( 731 PWs) bands (ev): -9.2321 -9.2321 -1.1639 -1.1639 1.7557 1.7557 6.0898 6.0898 6.6255 6.6255 12.2801 12.2801 12.6902 12.6902 13.8389 13.8389 15.8126 15.8126 18.5919 18.5919 19.0609 19.0609 19.9398 19.9398 k = 0.0000 0.0000 0.0159 ( 733 PWs) bands (ev): -9.2296 -9.2296 -1.1908 -1.1908 1.7865 1.7865 6.0921 6.0921 6.6283 6.6283 12.2707 12.2707 12.6801 12.6801 13.8237 13.8237 15.8166 15.8166 18.6104 18.6104 19.0594 19.0594 19.9447 19.9447 k = 0.0000 0.0000 0.0238 ( 737 PWs) bands (ev): -9.2254 -9.2254 -1.2343 -1.2343 1.8367 1.8367 6.0960 6.0960 6.6331 6.6331 12.2552 12.2552 12.6631 12.6631 13.7987 13.7987 15.8232 15.8232 18.6411 18.6411 19.0570 19.0570 19.9529 19.9529 k = 0.0000 0.0000 0.0317 ( 733 PWs) bands (ev): -9.2196 -9.2196 -1.2928 -1.2928 1.9045 1.9045 6.1014 6.1014 6.6399 6.6399 12.2337 12.2337 12.6397 12.6397 13.7645 13.7645 15.8324 15.8324 18.6834 18.6834 19.0534 19.0534 19.9646 19.9646 k = 0.0000 0.0000 0.0396 ( 733 PWs) bands (ev): -9.2122 -9.2122 -1.3645 -1.3645 1.9880 1.9880 6.1084 6.1084 6.6485 6.6485 12.2064 12.2064 12.6098 12.6098 13.7214 13.7214 15.8440 15.8440 18.7369 18.7369 19.0488 19.0488 19.9798 19.9798 k = 0.0000 0.0000 0.0476 ( 735 PWs) bands (ev): -9.2031 -9.2031 -1.4472 -1.4472 2.0852 2.0852 6.1168 6.1168 6.6590 6.6590 12.1734 12.1734 12.5735 12.5735 13.6701 13.6701 15.8580 15.8580 18.8007 18.8007 19.0430 19.0430 19.9986 19.9986 k = 0.0000 0.0000 0.0555 ( 735 PWs) bands (ev): -9.1924 -9.1924 -1.5390 -1.5390 2.1942 2.1942 6.1268 6.1268 6.6714 6.6714 12.1349 12.1349 12.5312 12.5312 13.6115 13.6115 15.8741 15.8741 18.8744 18.8744 19.0359 19.0359 20.0210 20.0210 k = 0.0000 0.0000 0.0634 ( 739 PWs) bands (ev): -9.1801 -9.1801 -1.6382 -1.6382 2.3133 2.3133 6.1383 6.1383 6.6857 6.6857 12.0913 12.0913 12.4826 12.4826 13.5461 13.5461 15.8922 15.8922 18.9570 18.9570 19.0275 19.0275 20.0473 20.0473 k = 0.0000 0.0000 0.0713 ( 739 PWs) bands (ev): -9.1662 -9.1662 -1.7433 -1.7433 2.4408 2.4408 6.1512 6.1512 6.7019 6.7019 12.0428 12.0428 12.4286 12.4286 13.4748 13.4748 15.9122 15.9122 19.0176 19.0176 19.0481 19.0481 20.0774 20.0774 k = 0.0000 0.0000 0.0793 ( 739 PWs) bands (ev): -9.1508 -9.1508 -1.8530 -1.8530 2.5756 2.5756 6.1655 6.1655 6.7199 6.7199 11.9897 11.9897 12.3690 12.3690 13.3984 13.3984 15.9340 15.9340 19.0066 19.0066 19.1463 19.1463 20.1116 20.1116 k = 0.0000 0.0000 0.0872 ( 735 PWs) bands (ev): -9.1339 -9.1339 -1.9662 -1.9662 2.7165 2.7165 6.1813 6.1813 6.7397 6.7397 11.9324 11.9324 12.3041 12.3041 13.3175 13.3175 15.9573 15.9573 18.9940 18.9940 19.2515 19.2515 20.1498 20.1498 k = 0.0000 0.0000 0.0951 ( 739 PWs) bands (ev): -9.1155 -9.1155 -2.0819 -2.0819 2.8626 2.8626 6.1983 6.1983 6.7613 6.7613 11.8711 11.8711 12.2342 12.2342 13.2328 13.2328 15.9818 15.9818 18.9800 18.9800 19.3626 19.3626 20.1922 20.1922 k = 0.0000 0.0000 0.1031 ( 739 PWs) bands (ev): -9.0956 -9.0956 -2.1993 -2.1993 3.0130 3.0130 6.2167 6.2167 6.7847 6.7847 11.8062 11.8062 12.1594 12.1594 13.1450 13.1450 16.0077 16.0077 18.9646 18.9646 19.4792 19.4792 20.2387 20.2387 k = 0.0000 0.0000 0.1110 ( 738 PWs) bands (ev): -9.0744 -9.0744 -2.3177 -2.3177 3.1673 3.1673 6.2363 6.2363 6.8098 6.8098 11.7380 11.7380 12.0799 12.0799 13.0547 13.0547 16.0346 16.0346 18.9478 18.9478 19.6004 19.6004 20.2894 20.2894 k = 0.0000 0.0000 0.1189 ( 738 PWs) bands (ev): -9.0518 -9.0518 -2.4367 -2.4367 3.3247 3.3247 6.2572 6.2572 6.8366 6.8366 11.6669 11.6669 11.9960 11.9960 12.9624 12.9624 16.0624 16.0624 18.9297 18.9297 19.7259 19.7259 20.3444 20.3444 k = 0.0000 0.0000 0.1268 ( 742 PWs) bands (ev): -9.0279 -9.0279 -2.5556 -2.5556 3.4848 3.4848 6.2791 6.2791 6.8651 6.8651 11.5931 11.5931 11.9078 11.9078 12.8686 12.8686 16.0911 16.0911 18.9104 18.9104 19.8550 19.8550 20.4036 20.4036 k = 0.0000 0.0000 0.1348 ( 742 PWs) bands (ev): -9.0028 -9.0028 -2.6742 -2.6742 3.6473 3.6473 6.3021 6.3021 6.8952 6.8952 11.5171 11.5171 11.8157 11.8157 12.7739 12.7739 16.1203 16.1203 18.8898 18.8898 19.9873 19.9873 20.4671 20.4671 k = 0.0000 0.0000 0.1427 ( 742 PWs) bands (ev): -8.9766 -8.9766 -2.7919 -2.7919 3.8117 3.8117 6.3261 6.3261 6.9269 6.9269 11.4391 11.4391 11.7196 11.7196 12.6787 12.6787 16.1501 16.1501 18.8682 18.8682 20.1222 20.1222 20.5347 20.5347 k = 0.0000 0.0000 0.1506 ( 738 PWs) bands (ev): -8.9492 -8.9492 -2.9085 -2.9085 3.9777 3.9777 6.3511 6.3511 6.9602 6.9602 11.3595 11.3595 11.6199 11.6199 12.5834 12.5834 16.1804 16.1804 18.8456 18.8456 20.2595 20.2595 20.6065 20.6065 k = 0.0000 0.0000 0.1585 ( 738 PWs) bands (ev): -8.9209 -8.9209 -3.0237 -3.0237 4.1452 4.1452 6.3769 6.3769 6.9949 6.9949 11.2785 11.2785 11.5166 11.5166 12.4884 12.4884 16.2109 16.2109 18.8220 18.8220 20.3985 20.3985 20.6825 20.6825 k = 0.0000 0.0000 0.1665 ( 738 PWs) bands (ev): -8.8916 -8.8916 -3.1372 -3.1372 4.3137 4.3137 6.4034 6.4034 7.0309 7.0309 11.1964 11.1964 11.4100 11.4100 12.3940 12.3940 16.2416 16.2416 18.7977 18.7977 20.5389 20.5389 20.7624 20.7624 k = 0.0000 0.0000 0.1744 ( 740 PWs) bands (ev): -8.8615 -8.8615 -3.2487 -3.2487 4.4832 4.4832 6.4305 6.4305 7.0683 7.0683 11.1136 11.1136 11.3001 11.3001 12.3005 12.3005 16.2723 16.2723 18.7727 18.7727 20.6803 20.6803 20.8464 20.8464 k = 0.0000 0.0000 0.1823 ( 740 PWs) bands (ev): -8.8307 -8.8307 -3.3579 -3.3579 4.6534 4.6534 6.4582 6.4582 7.1069 7.1069 11.0303 11.0303 11.1871 11.1871 12.2084 12.2084 16.3030 16.3030 18.7472 18.7472 20.8224 20.8224 20.9342 20.9342 k = 0.0000 0.0000 0.1903 ( 740 PWs) bands (ev): -8.7994 -8.7994 -3.4646 -3.4646 4.8242 4.8242 6.4863 6.4863 7.1466 7.1466 10.9469 10.9469 11.0712 11.0712 12.1179 12.1179 16.3336 16.3336 18.7213 18.7213 20.9647 20.9647 21.0258 21.0258 k = 0.0000 0.0000 0.1982 ( 736 PWs) bands (ev): -8.7676 -8.7676 -3.5687 -3.5687 4.9953 4.9953 6.5148 6.5148 7.1874 7.1874 10.8635 10.8635 10.9526 10.9526 12.0294 12.0294 16.3640 16.3640 18.6951 18.6951 21.1069 21.1069 21.1211 21.1211 k = 0.0000 0.0000 0.2061 ( 740 PWs) bands (ev): -8.7355 -8.7355 -3.6697 -3.6697 5.1666 5.1666 6.5432 6.5432 7.2290 7.2290 10.7803 10.7803 10.8313 10.8313 11.9430 11.9430 16.3939 16.3939 18.6688 18.6688 21.2198 21.2198 21.2484 21.2484 k = 0.0000 0.0000 0.2140 ( 740 PWs) bands (ev): -8.7032 -8.7032 -3.7675 -3.7675 5.3379 5.3379 6.5717 6.5717 7.2713 7.2713 10.6968 10.6968 10.7086 10.7086 11.8591 11.8591 16.4234 16.4234 18.6425 18.6425 21.3218 21.3218 21.3889 21.3889 k = 0.0000 0.0000 0.2220 ( 740 PWs) bands (ev): -8.6710 -8.6710 -3.8619 -3.8619 5.5092 5.5092 6.6001 6.6001 7.3142 7.3142 10.5800 10.5800 10.6178 10.6178 11.7781 11.7781 16.4524 16.4524 18.6163 18.6163 21.4270 21.4270 21.5280 21.5280 k = 0.0000 0.0000 0.2299 ( 740 PWs) bands (ev): -8.6390 -8.6390 -3.9526 -3.9526 5.6801 5.6801 6.6281 6.6281 7.3575 7.3575 10.4515 10.4515 10.5377 10.5377 11.7000 11.7000 16.4806 16.4806 18.5905 18.5905 21.5349 21.5349 21.6651 21.6651 k = 0.0000 0.0000 0.2378 ( 740 PWs) bands (ev): -8.6074 -8.6074 -4.0393 -4.0393 5.8507 5.8507 6.6556 6.6556 7.4010 7.4010 10.3206 10.3206 10.4595 10.4595 11.6253 11.6253 16.5080 16.5080 18.5651 18.5651 21.6453 21.6453 21.7997 21.7997 k = 0.0000 0.0000 0.2457 ( 740 PWs) bands (ev): -8.5764 -8.5764 -4.1218 -4.1218 6.0207 6.0207 6.6824 6.6824 7.4443 7.4443 10.1877 10.1877 10.3833 10.3833 11.5542 11.5542 16.5345 16.5345 18.5404 18.5404 21.7577 21.7577 21.9312 21.9312 k = 0.0000 0.0000 0.2537 ( 738 PWs) bands (ev): -8.5462 -8.5462 -4.1998 -4.1998 6.1900 6.1900 6.7083 6.7083 7.4873 7.4873 10.0528 10.0528 10.3097 10.3097 11.4870 11.4870 16.5598 16.5598 18.5164 18.5164 21.8717 21.8717 22.0591 22.0591 k = 0.0000 0.0000 0.2616 ( 738 PWs) bands (ev): -8.5172 -8.5172 -4.2730 -4.2730 6.3583 6.3583 6.7332 6.7332 7.5295 7.5295 9.9161 9.9161 10.2388 10.2388 11.4240 11.4240 16.5840 16.5840 18.4935 18.4935 21.9867 21.9867 22.1824 22.1824 k = 0.0000 0.0000 0.2695 ( 738 PWs) bands (ev): -8.4895 -8.4895 -4.3411 -4.3411 6.5255 6.5255 6.7568 6.7568 7.5707 7.5707 9.7779 9.7779 10.1713 10.1713 11.3653 11.3653 16.6067 16.6067 18.4717 18.4717 22.1019 22.1019 22.3003 22.3003 k = 0.0000 0.0000 0.2775 ( 738 PWs) bands (ev): -8.4633 -8.4633 -4.4039 -4.4039 6.6912 6.6912 6.7790 6.7790 7.6104 7.6104 9.6384 9.6384 10.1076 10.1076 11.3113 11.3113 16.6279 16.6279 18.4513 18.4513 22.2164 22.2164 22.4121 22.4121 k = 0.0000 0.0000 0.2854 ( 734 PWs) bands (ev): -8.4390 -8.4390 -4.4611 -4.4611 6.7991 6.7991 6.8557 6.8557 7.6481 7.6481 9.4979 9.4979 10.0482 10.0482 11.2622 11.2622 16.6476 16.6476 18.4324 18.4324 22.3289 22.3289 22.5168 22.5168 k = 0.0000 0.0000 0.2933 ( 730 PWs) bands (ev): -8.4168 -8.4168 -4.5123 -4.5123 6.8179 6.8179 7.0175 7.0175 7.6833 7.6833 9.3569 9.3569 9.9938 9.9938 11.2182 11.2182 16.6653 16.6653 18.4152 18.4152 22.4381 22.4381 22.6132 22.6132 k = 0.0000 0.0000 0.3012 ( 736 PWs) bands (ev): -8.3970 -8.3970 -4.5574 -4.5574 6.8344 6.8344 7.1764 7.1764 7.7155 7.7155 9.2160 9.2160 9.9448 9.9448 11.1795 11.1795 16.6809 16.6809 18.3998 18.3998 22.5419 22.5419 22.7000 22.7000 k = 0.0000 0.0000 0.3092 ( 738 PWs) bands (ev): -8.3797 -8.3797 -4.5960 -4.5960 6.8487 6.8487 7.3312 7.3312 7.7441 7.7441 9.0765 9.0765 9.9019 9.9019 11.1465 11.1465 16.6945 16.6945 18.3865 18.3865 22.6380 22.6380 22.7764 22.7764 k = 0.0000 0.0000 0.3171 ( 738 PWs) bands (ev): -8.3653 -8.3653 -4.6279 -4.6279 6.8606 6.8606 7.4800 7.4800 7.7685 7.7685 8.9401 8.9401 9.8658 9.8658 11.1192 11.1192 16.7058 16.7058 18.3754 18.3754 22.7238 22.7238 22.8410 22.8410 k = 0.0000 0.0000 0.3250 ( 738 PWs) bands (ev): -8.3539 -8.3539 -4.6530 -4.6530 6.8701 6.8701 7.6192 7.6192 7.7881 7.7881 8.8107 8.8107 9.8370 9.8370 11.0978 11.0978 16.7146 16.7146 18.3666 18.3666 22.7958 22.7958 22.8926 22.8926 k = 0.0000 0.0000 0.3330 ( 738 PWs) bands (ev): -8.3456 -8.3456 -4.6711 -4.6711 6.8770 6.8770 7.7414 7.7414 7.8027 7.8027 8.6953 8.6953 9.8160 9.8160 11.0824 11.0824 16.7211 16.7211 18.3602 18.3602 22.8507 22.8507 22.9303 22.9303 k = 0.0000 0.0000 0.3409 ( 738 PWs) bands (ev): -8.3405 -8.3405 -4.6819 -4.6819 6.8811 6.8811 7.8110 7.8110 7.8324 7.8324 8.6090 8.6090 9.8032 9.8032 11.0731 11.0731 16.7250 16.7250 18.3564 18.3564 22.8852 22.8852 22.9533 22.9533 k = 0.0000 0.0000 0.3488 ( 738 PWs) bands (ev): -8.3388 -8.3388 -4.6856 -4.6856 6.8825 6.8825 7.8142 7.8142 7.8673 7.8673 8.5753 8.5753 9.7989 9.7989 11.0701 11.0701 16.7263 16.7263 18.3551 18.3551 22.8970 22.8970 22.9610 22.9610 k = 0.0000 0.0000 0.3488 ( 738 PWs) bands (ev): -8.3388 -8.3388 -4.6856 -4.6856 6.8825 6.8825 7.8142 7.8142 7.8673 7.8673 8.5753 8.5753 9.7989 9.7989 11.0701 11.0701 16.7263 16.7263 18.3551 18.3551 22.8970 22.8970 22.9610 22.9610 k = 0.0079-0.0000 0.3488 ( 742 PWs) bands (ev): -8.3379 -8.3379 -4.6845 -4.6845 6.8829 6.8829 7.7706 7.7749 7.8950 7.8999 8.5778 8.5785 9.7966 9.7966 11.0710 11.0710 16.7295 16.7297 18.3600 18.3602 22.9017 22.9017 22.9594 22.9594 k = 0.0159-0.0000 0.3488 ( 742 PWs) bands (ev): -8.3350 -8.3350 -4.6812 -4.6812 6.8846 6.8846 7.7006 7.7050 7.9308 7.9363 8.5859 8.5871 9.7898 9.7898 11.0738 11.0738 16.7394 16.7398 18.3748 18.3752 22.9159 22.9160 22.9545 22.9545 k = 0.0238-0.0000 0.3488 ( 740 PWs) bands (ev): -8.3301 -8.3301 -4.6757 -4.6757 6.8873 6.8873 7.6191 7.6232 7.9565 7.9623 8.5989 8.6005 9.7790 9.7790 11.0785 11.0785 16.7557 16.7562 18.3995 18.4001 22.9395 22.9395 22.9467 22.9467 k = 0.0317-0.0000 0.3488 ( 740 PWs) bands (ev): -8.3234 -8.3234 -4.6681 -4.6681 6.8911 6.8911 7.5282 7.5320 7.9708 7.9766 8.6156 8.6176 9.7648 9.7649 11.0850 11.0850 16.7781 16.7787 18.4339 18.4346 22.9352 22.9352 22.9726 22.9726 k = 0.0397-0.0000 0.3488 ( 736 PWs) bands (ev): -8.3147 -8.3146 -4.6582 -4.6582 6.8959 6.8959 7.4288 7.4324 7.9738 7.9795 8.6347 8.6370 9.7481 9.7482 11.0934 11.0934 16.8062 16.8070 18.4777 18.4786 22.9206 22.9206 23.0147 23.0147 k = 0.0476-0.0000 0.3488 ( 736 PWs) bands (ev): -8.3040 -8.3040 -4.6462 -4.6462 6.9018 6.9018 7.3216 7.3250 7.9656 7.9712 8.6549 8.6574 9.7299 9.7301 11.1036 11.1036 16.8394 16.8404 18.5307 18.5318 22.9028 22.9028 23.0654 23.0655 k = 0.0556-0.0000 0.3488 ( 736 PWs) bands (ev): -8.2915 -8.2915 -4.6320 -4.6319 6.9087 6.9088 7.2074 7.2106 7.9466 7.9521 8.6749 8.6775 9.7113 9.7116 11.1157 11.1157 16.8772 16.8783 18.5926 18.5938 22.8818 22.8818 23.1243 23.1245 k = 0.0635-0.0000 0.3488 ( 736 PWs) bands (ev): -8.2770 -8.2770 -4.6156 -4.6155 6.9167 6.9167 7.0867 7.0897 7.9171 7.9224 8.6937 8.6964 9.6936 9.6940 11.1296 11.1296 16.9190 16.9202 18.6628 18.6641 22.8576 22.8576 23.1896 23.1900 k = 0.0714-0.0000 0.3488 ( 736 PWs) bands (ev): -8.2607 -8.2607 -4.5970 -4.5969 6.9254 6.9257 6.9603 6.9627 7.8772 7.8822 8.7107 8.7134 9.6778 9.6783 11.1453 11.1453 16.9641 16.9654 18.7410 18.7424 22.8303 22.8303 23.2561 23.2571 k = 0.0794-0.0000 0.3488 ( 736 PWs) bands (ev): -8.2425 -8.2424 -4.5762 -4.5762 6.8275 6.8303 6.9358 6.9359 7.8267 7.8315 8.7255 8.7282 9.6649 9.6655 11.1628 11.1628 17.0119 17.0133 18.8267 18.8282 22.7998 22.7998 23.3003 23.3022 k = 0.0873-0.0000 0.3488 ( 736 PWs) bands (ev): -8.2223 -8.2223 -4.5533 -4.5532 6.6902 6.6929 6.9468 6.9468 7.7659 7.7704 8.7381 8.7408 9.6554 9.6562 11.1821 11.1821 17.0617 17.0632 18.9192 18.9208 22.7662 22.7662 23.2855 23.2871 k = 0.0952-0.0000 0.3488 ( 734 PWs) bands (ev): -8.2004 -8.2003 -4.5282 -4.5281 6.5483 6.5508 6.9587 6.9588 7.6948 7.6991 8.7486 8.7513 9.6500 9.6508 11.2032 11.2032 17.1130 17.1145 19.0181 19.0197 22.7295 22.7295 23.2380 23.2391 k = 0.1032-0.0000 0.3488 ( 734 PWs) bands (ev): -8.1765 -8.1765 -4.5009 -4.5009 6.4021 6.4045 6.9717 6.9717 7.6137 7.6176 8.7574 8.7600 9.6486 9.6496 11.2260 11.2260 17.1653 17.1668 19.1226 19.1243 22.6897 22.6897 23.1797 23.1805 k = 0.1111-0.0000 0.3488 ( 734 PWs) bands (ev): -8.1509 -8.1509 -4.4715 -4.4714 6.2521 6.2544 6.9855 6.9856 7.5229 7.5266 8.7647 8.7672 9.6512 9.6523 11.2505 11.2505 17.2180 17.2195 19.2322 19.2339 22.6470 22.6470 23.1160 23.1167 k = 0.1190-0.0000 0.3488 ( 738 PWs) bands (ev): -8.1234 -8.1234 -4.4399 -4.4398 6.0986 6.1008 7.0002 7.0003 7.4229 7.4264 8.7710 8.7735 9.6574 9.6586 11.2768 11.2768 17.2707 17.2722 19.3462 19.3479 22.6013 22.6013 23.0485 23.0492 k = 0.1270-0.0000 0.3488 ( 750 PWs) bands (ev): -8.0942 -8.0942 -4.4062 -4.4061 5.9419 5.9440 7.0158 7.0159 7.3144 7.3176 8.7767 8.7791 9.6670 9.6683 11.3047 11.3047 17.3229 17.3244 19.4638 19.4655 22.5525 22.5525 22.9784 22.9790 k = 0.1349-0.0000 0.3488 ( 750 PWs) bands (ev): -8.0632 -8.0631 -4.3702 -4.3702 5.7826 5.7847 7.0322 7.0323 7.1982 7.2012 8.7821 8.7844 9.6798 9.6810 11.3343 11.3343 17.3743 17.3758 19.5846 19.5862 22.5010 22.5010 22.9064 22.9070 k = 0.1429-0.0000 0.3488 ( 750 PWs) bands (ev): -8.0304 -8.0304 -4.3322 -4.3321 5.6210 5.6230 7.0490 7.0496 7.0755 7.0777 8.7875 8.7897 9.6951 9.6964 11.3655 11.3655 17.4248 17.4262 19.7077 19.7093 22.4467 22.4467 22.8328 22.8334 k = 0.1508-0.0000 0.3488 ( 754 PWs) bands (ev): -7.9959 -7.9959 -4.2920 -4.2919 5.4573 5.4592 6.9451 6.9479 7.0675 7.0676 8.7929 8.7950 9.7126 9.7140 11.3983 11.3983 17.4738 17.4753 19.8325 19.8341 22.3897 22.3897 22.7580 22.7586 k = 0.1587-0.0000 0.3488 ( 754 PWs) bands (ev): -7.9597 -7.9597 -4.2497 -4.2496 5.2918 5.2937 6.8099 6.8125 7.0863 7.0863 8.7986 8.8006 9.7322 9.7335 11.4326 11.4326 17.5214 17.5228 19.9584 19.9600 22.3301 22.3301 22.6825 22.6831 k = 0.1667-0.0000 0.3488 ( 758 PWs) bands (ev): -7.9219 -7.9219 -4.2052 -4.2051 5.1249 5.1267 6.6696 6.6720 7.1058 7.1058 8.8045 8.8064 9.7533 9.7547 11.4685 11.4685 17.5670 17.5684 20.0849 20.0864 22.2679 22.2679 22.6067 22.6073 k = 0.1746-0.0000 0.3488 ( 758 PWs) bands (ev): -7.8824 -7.8824 -4.1586 -4.1585 4.9569 4.9586 6.5251 6.5273 7.1259 7.1260 8.8108 8.8126 9.7759 9.7772 11.5058 11.5058 17.6109 17.6122 20.2113 20.2127 22.2032 22.2033 22.5309 22.5316 k = 0.1825-0.0000 0.3488 ( 754 PWs) bands (ev): -7.8414 -7.8413 -4.1099 -4.1098 4.7880 4.7897 6.3768 6.3789 7.1468 7.1468 8.8174 8.8192 9.7997 9.8010 11.5446 11.5446 17.6527 17.6539 20.3371 20.3385 22.1363 22.1363 22.4556 22.4562 k = 0.1905-0.0000 0.3488 ( 754 PWs) bands (ev): -7.7988 -7.7987 -4.0591 -4.0591 4.6184 4.6201 6.2252 6.2272 7.1681 7.1681 8.8244 8.8261 9.8246 9.8259 11.5847 11.5847 17.6921 17.6933 20.4619 20.4633 22.0669 22.0669 22.3809 22.3816 k = 0.1984-0.0000 0.3488 ( 752 PWs) bands (ev): -7.7546 -7.7546 -4.0062 -4.0061 4.4485 4.4502 6.0709 6.0728 7.1900 7.1900 8.8317 8.8333 9.8504 9.8517 11.6261 11.6261 17.7293 17.7304 20.5853 20.5865 21.9955 21.9955 22.3074 22.3081 k = 0.2063-0.0000 0.3488 ( 752 PWs) bands (ev): -7.7091 -7.7091 -3.9513 -3.9512 4.2785 4.2801 5.9143 5.9161 7.2124 7.2124 8.8393 8.8408 9.8770 9.8783 11.6688 11.6688 17.7639 17.7650 20.7067 20.7079 21.9221 21.9221 22.2353 22.2360 k = 0.2143-0.0000 0.3488 ( 752 PWs) bands (ev): -7.6621 -7.6621 -3.8942 -3.8941 4.1085 4.1101 5.7557 5.7575 7.2352 7.2352 8.8471 8.8486 9.9043 9.9056 11.7127 11.7128 17.7959 17.7970 20.8260 20.8271 21.8468 21.8468 22.1649 22.1656 k = 0.2222-0.0000 0.3488 ( 756 PWs) bands (ev): -7.6138 -7.6138 -3.8351 -3.8350 3.9388 3.9403 5.5956 5.5973 7.2584 7.2584 8.8552 8.8566 9.9322 9.9334 11.7578 11.7578 17.8252 17.8262 20.9427 20.9438 21.7697 21.7697 22.0965 22.0972 k = 0.2302-0.0000 0.3488 ( 756 PWs) bands (ev): -7.5642 -7.5642 -3.7740 -3.7739 3.7696 3.7712 5.4344 5.4360 7.2820 7.2820 8.8635 8.8648 9.9606 9.9618 11.8040 11.8040 17.8517 17.8527 21.0567 21.0577 21.6911 21.6911 22.0305 22.0313 k = 0.2381-0.0000 0.3488 ( 756 PWs) bands (ev): -7.5133 -7.5133 -3.7108 -3.7107 3.6012 3.6027 5.2722 5.2738 7.3058 7.3058 8.8719 8.8732 9.9895 9.9907 11.8511 11.8511 17.8754 17.8762 21.1676 21.1686 21.6110 21.6110 21.9673 21.9681 k = 0.2460-0.0000 0.3488 ( 748 PWs) bands (ev): -7.4613 -7.4613 -3.6456 -3.6455 3.4338 3.4353 5.1095 5.1111 7.3299 7.3299 8.8805 8.8818 10.0189 10.0200 11.8992 11.8992 17.8960 17.8968 21.2754 21.2762 21.5296 21.5297 21.9072 21.9080 k = 0.2540-0.0000 0.3488 ( 752 PWs) bands (ev): -7.4082 -7.4082 -3.5784 -3.5783 3.2674 3.2689 4.9465 4.9479 7.3541 7.3541 8.8892 8.8904 10.0485 10.0496 11.9482 11.9482 17.9136 17.9144 21.3794 21.3802 21.4473 21.4473 21.8504 21.8512 k = 0.2619-0.0000 0.3488 ( 752 PWs) bands (ev): -7.3542 -7.3541 -3.5092 -3.5091 3.1023 3.1038 4.7834 4.7848 7.3785 7.3785 8.8979 8.8990 10.0783 10.0794 11.9979 11.9979 17.9281 17.9288 21.3636 21.3636 21.4798 21.4804 21.7978 21.7985 k = 0.2698-0.0000 0.3488 ( 752 PWs) bands (ev): -7.2991 -7.2991 -3.4381 -3.4379 2.9387 2.9402 4.6204 4.6218 7.4029 7.4029 8.9067 8.9078 10.1084 10.1095 12.0483 12.0483 17.9395 17.9402 21.2795 21.2795 21.5738 21.5742 21.7514 21.7520 k = 0.2778-0.0000 0.3488 ( 752 PWs) bands (ev): -7.2433 -7.2433 -3.3650 -3.3648 2.7767 2.7782 4.4579 4.4593 7.4273 7.4273 8.9154 8.9165 10.1386 10.1396 12.0992 12.0992 17.9478 17.9484 21.1948 21.1948 21.6456 21.6459 21.7276 21.7277 k = 0.2857-0.0000 0.3488 ( 752 PWs) bands (ev): -7.1868 -7.1868 -3.2900 -3.2898 2.6166 2.6180 4.2960 4.2973 7.4517 7.4517 8.9241 8.9252 10.1688 10.1699 12.1506 12.1506 17.9530 17.9535 21.1098 21.1098 21.6386 21.6396 21.7820 21.7826 k = 0.2937-0.0000 0.3488 ( 752 PWs) bands (ev): -7.1297 -7.1296 -3.2131 -3.2130 2.4584 2.4598 4.1350 4.1363 7.4759 7.4759 8.9328 8.9338 10.1991 10.2001 12.2023 12.2023 17.9552 17.9556 21.0246 21.0246 21.6048 21.6058 21.8642 21.8648 k = 0.3016-0.0000 0.3488 ( 752 PWs) bands (ev): -7.0720 -7.0720 -3.1344 -3.1342 2.3024 2.3038 3.9750 3.9762 7.4999 7.4999 8.9413 8.9423 10.2292 10.2302 12.2543 12.2543 17.9543 17.9548 20.9395 20.9395 21.5709 21.5720 21.9468 21.9473 k = 0.3095-0.0000 0.3488 ( 752 PWs) bands (ev): -7.0141 -7.0140 -3.0538 -3.0536 2.1486 2.1500 3.8163 3.8175 7.5237 7.5237 8.9498 8.9507 10.2592 10.2601 12.3063 12.3063 17.9507 17.9510 20.8548 20.8548 21.5399 21.5409 22.0270 22.0275 k = 0.3175-0.0000 0.3488 ( 752 PWs) bands (ev): -6.9559 -6.9559 -2.9715 -2.9713 1.9973 1.9987 3.6590 3.6602 7.5471 7.5471 8.9581 8.9589 10.2890 10.2898 12.3583 12.3583 17.9443 17.9446 20.7705 20.7705 21.5123 21.5133 22.1042 22.1046 k = 0.3254-0.0000 0.3488 ( 754 PWs) bands (ev): -6.8976 -6.8976 -2.8874 -2.8871 1.8486 1.8500 3.5035 3.5046 7.5702 7.5702 8.9662 8.9670 10.3184 10.3192 12.4102 12.4102 17.9353 17.9357 20.6870 20.6870 21.4881 21.4891 22.1781 22.1785 k = 0.3333-0.0000 0.3488 ( 754 PWs) bands (ev): -6.8395 -6.8395 -2.8016 -2.8013 1.7025 1.7040 3.3498 3.3510 7.5928 7.5928 8.9741 8.9749 10.3474 10.3482 12.4617 12.4617 17.9241 17.9244 20.6046 20.6046 21.4674 21.4684 22.2488 22.2492 k = 0.3413-0.0000 0.3488 ( 754 PWs) bands (ev): -6.7816 -6.7816 -2.7141 -2.7138 1.5594 1.5608 3.1984 3.1995 7.6148 7.6148 8.9817 8.9825 10.3759 10.3767 12.5127 12.5127 17.9108 17.9110 20.5234 20.5234 21.4501 21.4511 22.3163 22.3166 k = 0.3492-0.0000 0.3488 ( 754 PWs) bands (ev): -6.7242 -6.7242 -2.6250 -2.6247 1.4192 1.4206 3.0494 3.0505 7.6363 7.6363 8.9892 8.9899 10.4039 10.4046 12.5630 12.5630 17.8956 17.8958 20.4438 20.4438 21.4359 21.4368 22.3803 22.3806 k = 0.3571-0.0000 0.3488 ( 752 PWs) bands (ev): -6.6675 -6.6675 -2.5344 -2.5341 1.2821 1.2836 2.9030 2.9041 7.6572 7.6572 8.9964 8.9971 10.4312 10.4319 12.6125 12.6125 17.8788 17.8790 20.3659 20.3659 21.4246 21.4255 22.4411 22.4413 k = 0.3651-0.0000 0.3488 ( 752 PWs) bands (ev): -6.6116 -6.6116 -2.4423 -2.4420 1.1482 1.1497 2.7597 2.7608 7.6774 7.6774 9.0033 9.0039 10.4577 10.4583 12.6609 12.6609 17.8607 17.8609 20.2901 20.2901 21.4160 21.4169 22.4984 22.4987 k = 0.3730-0.0000 0.3488 ( 752 PWs) bands (ev): -6.5569 -6.5569 -2.3488 -2.3484 1.0176 1.0190 2.6197 2.6207 7.6967 7.6967 9.0099 9.0105 10.4833 10.4840 12.7082 12.7082 17.8417 17.8418 20.2166 20.2166 21.4099 21.4107 22.5525 22.5527 k = 0.3810-0.0000 0.3488 ( 752 PWs) bands (ev): -6.5035 -6.5034 -2.2540 -2.2536 0.8902 0.8917 2.4833 2.4844 7.7153 7.7153 9.0163 9.0168 10.5080 10.5086 12.7540 12.7540 17.8219 17.8220 20.1457 20.1457 21.4059 21.4067 22.6032 22.6034 k = 0.3889-0.0000 0.3488 ( 756 PWs) bands (ev): -6.4516 -6.4516 -2.1579 -2.1575 0.7662 0.7676 2.3510 2.3521 7.7329 7.7329 9.0222 9.0227 10.5317 10.5322 12.7983 12.7983 17.8018 17.8019 20.0776 20.0776 21.4038 21.4046 22.6507 22.6508 k = 0.3968-0.0000 0.3488 ( 756 PWs) bands (ev): -6.4017 -6.4017 -2.0607 -2.0603 0.6455 0.6469 2.2234 2.2244 7.7497 7.7497 9.0279 9.0283 10.5542 10.5547 12.8407 12.8407 17.7816 17.7816 20.0128 20.0128 21.4034 21.4042 22.6948 22.6949 k = 0.4048-0.0000 0.3488 ( 756 PWs) bands (ev): -6.3539 -6.3538 -1.9625 -1.9621 0.5280 0.5295 2.1008 2.1018 7.7654 7.7654 9.0331 9.0336 10.5755 10.5760 12.8810 12.8810 17.7615 17.7616 19.9514 19.9514 21.4043 21.4050 22.7356 22.7357 k = 0.4127-0.0000 0.3488 ( 756 PWs) bands (ev): -6.3084 -6.3084 -1.8635 -1.8630 0.4138 0.4153 1.9838 1.9848 7.7800 7.7801 9.0380 9.0385 10.5955 10.5959 12.9192 12.9192 17.7420 17.7420 19.8936 19.8936 21.4063 21.4069 22.7732 22.7732 k = 0.4206-0.0000 0.3488 ( 756 PWs) bands (ev): -6.2657 -6.2657 -1.7637 -1.7632 0.3026 0.3041 1.8732 1.8741 7.7936 7.7936 9.0426 9.0429 10.6141 10.6145 12.9549 12.9549 17.7232 17.7232 19.8398 19.8399 21.4091 21.4097 22.8074 22.8075 k = 0.4286-0.0000 0.3488 ( 760 PWs) bands (ev): -6.2259 -6.2259 -1.6634 -1.6628 0.1942 0.1957 1.7695 1.7704 7.8060 7.8060 9.0467 9.0470 10.6311 10.6315 12.9879 12.9879 17.7054 17.7054 19.7903 19.7903 21.4123 21.4129 22.8382 22.8383 k = 0.4365-0.0000 0.3488 ( 764 PWs) bands (ev): -6.1895 -6.1894 -1.5628 -1.5622 0.0884 0.0899 1.6736 1.6744 7.8173 7.8173 9.0504 9.0507 10.6466 10.6469 13.0181 13.0181 17.6888 17.6888 19.7452 19.7452 21.4160 21.4165 22.8658 22.8659 k = 0.4444-0.0000 0.3488 ( 764 PWs) bands (ev): -6.1565 -6.1565 -1.4621 -1.4614 -0.0149 -0.0134 1.5862 1.5869 7.8273 7.8273 9.0537 9.0539 10.6605 10.6608 13.0452 13.0452 17.6737 17.6737 19.7048 19.7048 21.4198 21.4202 22.8902 22.8903 k = 0.4524-0.0000 0.3488 ( 768 PWs) bands (ev): -6.1273 -6.1273 -1.3617 -1.3609 -0.1160 -0.1146 1.5083 1.5089 7.8358 7.8358 9.0566 9.0568 10.6727 10.6729 13.0691 13.0691 17.6601 17.6601 19.6692 19.6692 21.4235 21.4239 22.9113 22.9113 k = 0.4603-0.0000 0.3488 ( 768 PWs) bands (ev): -6.1022 -6.1021 -1.2619 -1.2611 -0.2151 -0.2137 1.4405 1.4411 7.8433 7.8433 9.0590 9.0592 10.6831 10.6833 13.0896 13.0896 17.6484 17.6484 19.6388 19.6388 21.4269 21.4272 22.9292 22.9292 k = 0.4683-0.0000 0.3488 ( 764 PWs) bands (ev): -6.0812 -6.0812 -1.1635 -1.1627 -0.3119 -0.3106 1.3838 1.3843 7.8494 7.8494 9.0611 9.0612 10.6918 10.6920 13.1067 13.1067 17.6386 17.6386 19.6137 19.6137 21.4299 21.4302 22.9438 22.9439 k = 0.4762-0.0000 0.3488 ( 764 PWs) bands (ev): -6.0648 -6.0648 -1.0679 -1.0670 -0.4058 -0.4046 1.3389 1.3393 7.8542 7.8542 9.0626 9.0628 10.6985 10.6987 13.1200 13.1200 17.6308 17.6308 19.5941 19.5941 21.4324 21.4326 22.9552 22.9552 k = 0.4841-0.0000 0.3488 ( 764 PWs) bands (ev): -6.0529 -6.0529 -0.9779 -0.9770 -0.4941 -0.4930 1.3064 1.3066 7.8577 7.8577 9.0638 9.0639 10.7034 10.7035 13.1296 13.1296 17.6252 17.6252 19.5799 19.5799 21.4343 21.4344 22.9633 22.9633 k = 0.4921-0.0000 0.3488 ( 760 PWs) bands (ev): -6.0457 -6.0457 -0.9024 -0.9018 -0.5681 -0.5673 1.2867 1.2868 7.8599 7.8599 9.0645 9.0645 10.7063 10.7064 13.1354 13.1354 17.6219 17.6219 19.5715 19.5715 21.4355 21.4355 22.9682 22.9682 k = 0.5000-0.0000 0.3488 ( 760 PWs) bands (ev): -6.0434 -6.0434 -0.8680 -0.8680 -0.6014 -0.6014 1.2801 1.2801 7.8607 7.8607 9.0647 9.0647 10.7073 10.7073 13.1374 13.1374 17.6208 17.6208 19.5687 19.5687 21.4358 21.4358 22.9697 22.9697 k = 0.5000-0.0000 0.3488 ( 760 PWs) bands (ev): -6.0434 -6.0434 -0.8680 -0.8680 -0.6014 -0.6014 1.2801 1.2801 7.8607 7.8607 9.0647 9.0647 10.7073 10.7073 13.1374 13.1374 17.6208 17.6208 19.5687 19.5687 21.4358 21.4358 22.9697 22.9697 k = 0.5000 0.0079 0.3488 ( 764 PWs) bands (ev): -6.0424 -6.0424 -0.8670 -0.8670 -0.6005 -0.6005 1.2811 1.2811 7.8550 7.8552 9.0630 9.0631 10.7051 10.7052 13.1322 13.1322 17.6265 17.6265 19.5677 19.5679 21.4373 21.4374 22.9733 22.9734 k = 0.5000 0.0157 0.3488 ( 760 PWs) bands (ev): -6.0395 -6.0395 -0.8640 -0.8640 -0.5976 -0.5976 1.2840 1.2840 7.8385 7.8387 9.0582 9.0584 10.6990 10.6991 13.1165 13.1167 17.6435 17.6436 19.5651 19.5654 21.4422 21.4424 22.9841 22.9844 k = 0.5000 0.0236 0.3488 ( 760 PWs) bands (ev): -6.0346 -6.0346 -0.8590 -0.8590 -0.5929 -0.5928 1.2888 1.2889 7.8110 7.8114 9.0501 9.0505 10.6886 10.6888 13.0906 13.0908 17.6716 17.6718 19.5608 19.5612 21.4502 21.4505 23.0019 23.0023 k = 0.5000 0.0314 0.3488 ( 760 PWs) bands (ev): -6.0279 -6.0279 -0.8520 -0.8519 -0.5862 -0.5862 1.2956 1.2957 7.7730 7.7735 9.0389 9.0393 10.6742 10.6744 13.0547 13.0550 17.7106 17.7109 19.5549 19.5555 21.4615 21.4618 23.0262 23.0268 k = 0.5000 0.0393 0.3488 ( 760 PWs) bands (ev): -6.0192 -6.0192 -0.8429 -0.8429 -0.5777 -0.5776 1.3044 1.3044 7.7247 7.7253 9.0244 9.0249 10.6556 10.6558 13.0090 13.0093 17.7601 17.7605 19.5474 19.5482 21.4760 21.4764 23.0566 23.0574 k = 0.5000 0.0471 0.3488 ( 760 PWs) bands (ev): -6.0086 -6.0085 -0.8319 -0.8318 -0.5673 -0.5672 1.3151 1.3151 7.6666 7.6673 9.0067 9.0073 10.6329 10.6332 12.9538 12.9542 17.8196 17.8200 19.5386 19.5396 21.4938 21.4943 23.0924 23.0934 k = 0.5000 0.0550 0.3488 ( 756 PWs) bands (ev): -5.9960 -5.9960 -0.8188 -0.8188 -0.5550 -0.5549 1.3277 1.3278 7.5991 7.5999 8.9859 8.9866 10.6061 10.6065 12.8897 12.8901 17.8886 17.8891 19.5286 19.5298 21.5149 21.5155 23.1325 23.1337 k = 0.5000 0.0628 0.3488 ( 756 PWs) bands (ev): -5.9815 -5.9815 -0.8038 -0.8037 -0.5409 -0.5408 1.3423 1.3424 7.5227 7.5236 8.9617 8.9626 10.5753 10.5757 12.8169 12.8175 17.9664 17.9669 19.5175 19.5188 21.5394 21.5401 23.1754 23.1770 k = 0.5000 0.0707 0.3488 ( 756 PWs) bands (ev): -5.9652 -5.9651 -0.7868 -0.7867 -0.5249 -0.5248 1.3588 1.3589 7.4380 7.4389 8.9344 8.9353 10.5404 10.5408 12.7361 12.7367 18.0523 18.0529 19.5054 19.5068 21.5672 21.5680 23.2190 23.2208 k = 0.5000 0.0786 0.3488 ( 756 PWs) bands (ev): -5.9469 -5.9468 -0.7678 -0.7677 -0.5071 -0.5070 1.3772 1.3773 7.3455 7.3465 8.9038 8.9047 10.5015 10.5020 12.6476 12.6483 18.1457 18.1463 19.4926 19.4941 21.5985 21.5994 23.2591 23.2614 k = 0.5000 0.0864 0.3488 ( 756 PWs) bands (ev): -5.9267 -5.9267 -0.7469 -0.7468 -0.4876 -0.4874 1.3976 1.3977 7.2459 7.2470 8.8699 8.8709 10.4586 10.4591 12.5521 12.5528 18.2458 18.2465 19.4792 19.4809 21.6331 21.6342 23.2892 23.2917 k = 0.5000 0.0943 0.3488 ( 764 PWs) bands (ev): -5.9046 -5.9046 -0.7240 -0.7239 -0.4662 -0.4660 1.4198 1.4199 7.1396 7.1407 8.8328 8.8339 10.4116 10.4122 12.4500 12.4508 18.3518 18.3525 19.4652 19.4671 21.6713 21.6725 23.3014 23.3038 k = 0.5000 0.1021 0.3488 ( 764 PWs) bands (ev): -5.8807 -5.8806 -0.6992 -0.6991 -0.4431 -0.4429 1.4440 1.4442 7.0274 7.0286 8.7925 8.7936 10.3608 10.3615 12.3419 12.3427 18.4630 18.4637 19.4514 19.4534 21.7129 21.7142 23.2944 23.2962 k = 0.5000 0.1100 0.3488 ( 764 PWs) bands (ev): -5.8549 -5.8548 -0.6725 -0.6723 -0.4183 -0.4181 1.4701 1.4703 6.9098 6.9111 8.7489 8.7501 10.3061 10.3069 12.2282 12.2291 18.5786 18.5794 19.4376 19.4398 21.7581 21.7596 23.2740 23.2752 k = 0.5000 0.1178 0.3488 ( 768 PWs) bands (ev): -5.8272 -5.8271 -0.6438 -0.6437 -0.3918 -0.3916 1.4981 1.4983 6.7874 6.7887 8.7022 8.7034 10.2477 10.2484 12.1096 12.1105 18.6979 18.6986 19.4241 19.4264 21.8067 21.8083 23.2465 23.2473 k = 0.5000 0.1257 0.3488 ( 768 PWs) bands (ev): -5.7976 -5.7976 -0.6133 -0.6131 -0.3637 -0.3634 1.5280 1.5282 6.6608 6.6621 8.6522 8.6535 10.1854 10.1862 11.9864 11.9874 18.8200 18.8208 19.4113 19.4137 21.8589 21.8607 23.2161 23.2165 k = 0.5000 0.1336 0.3488 ( 764 PWs) bands (ev): -5.7663 -5.7662 -0.5809 -0.5807 -0.3340 -0.3337 1.5599 1.5601 6.5304 6.5318 8.5991 8.6004 10.1195 10.1203 11.8592 11.8602 18.9444 18.9452 19.3994 19.4019 21.9146 21.9166 23.1848 23.1850 k = 0.5000 0.1414 0.3488 ( 760 PWs) bands (ev): -5.7331 -5.7330 -0.5466 -0.5464 -0.3027 -0.3024 1.5936 1.5938 6.3968 6.3982 8.5428 8.5442 10.0499 10.0508 11.7284 11.7295 19.0702 19.0709 19.3885 19.3912 21.9736 21.9758 23.1540 23.1540 k = 0.5000 0.1493 0.3488 ( 760 PWs) bands (ev): -5.6981 -5.6981 -0.5105 -0.5103 -0.2699 -0.2696 1.6292 1.6294 6.2604 6.2619 8.4834 8.4848 9.9767 9.9777 11.5944 11.5956 19.1963 19.1971 19.3793 19.3821 22.0359 22.0382 23.1243 23.1244 k = 0.5000 0.1571 0.3488 ( 760 PWs) bands (ev): -5.6613 -5.6613 -0.4725 -0.4723 -0.2357 -0.2354 1.6667 1.6669 6.1217 6.1232 8.4209 8.4223 9.9001 9.9012 11.4577 11.4589 19.3186 19.3192 19.3757 19.3785 22.1011 22.1037 23.0964 23.0967 k = 0.5000 0.1650 0.3488 ( 760 PWs) bands (ev): -5.6228 -5.6228 -0.4329 -0.4326 -0.2002 -0.1998 1.7060 1.7063 5.9812 5.9828 8.3553 8.3568 9.8202 9.8213 11.3185 11.3198 19.3577 19.3602 19.4569 19.4571 22.1694 22.1722 23.0709 23.0713 k = 0.5000 0.1728 0.3488 ( 760 PWs) bands (ev): -5.5826 -5.5825 -0.3914 -0.3912 -0.1634 -0.1629 1.7472 1.7474 5.8393 5.8409 8.2868 8.2883 9.7369 9.7381 11.1774 11.1787 19.3544 19.3572 19.5810 19.5815 22.2402 22.2433 23.0481 23.0486 k = 0.5000 0.1807 0.3488 ( 760 PWs) bands (ev): -5.5406 -5.5405 -0.3483 -0.3480 -0.1254 -0.1249 1.7902 1.7904 5.6965 5.6981 8.2153 8.2169 9.6505 9.6517 11.0346 11.0359 19.3514 19.3544 19.7058 19.7063 22.3133 22.3166 23.0282 23.0288 k = 0.5000 0.1885 0.3488 ( 756 PWs) bands (ev): -5.4969 -5.4968 -0.3034 -0.3032 -0.0863 -0.0858 1.8350 1.8353 5.5531 5.5548 8.1410 8.1426 9.5610 9.5623 10.8904 10.8918 19.3502 19.3534 19.8296 19.8301 22.3883 22.3919 23.0115 23.0121 k = 0.5000 0.1964 0.3488 ( 756 PWs) bands (ev): -5.4516 -5.4515 -0.2569 -0.2567 -0.0462 -0.0457 1.8816 1.8819 5.4096 5.4114 8.0638 8.0654 9.4686 9.4699 10.7452 10.7466 19.3510 19.3543 19.9518 19.9522 22.4646 22.4684 22.9981 22.9987 k = 0.5000 0.2043 0.3488 ( 760 PWs) bands (ev): -5.4046 -5.4046 -0.2089 -0.2086 -0.0053 -0.0048 1.9300 1.9303 5.2662 5.2680 7.9839 7.9855 9.3734 9.3748 10.5992 10.6006 19.3541 19.3574 20.0720 20.0724 22.5415 22.5456 22.9881 22.9888 k = 0.5000 0.2121 0.3488 ( 760 PWs) bands (ev): -5.3561 -5.3560 -0.1592 -0.1589 0.0362 0.0368 1.9802 1.9805 5.1236 5.1254 7.9013 7.9029 9.2756 9.2770 10.4526 10.4542 19.3595 19.3630 20.1903 20.1906 22.6186 22.6230 22.9817 22.9824 k = 0.5000 0.2200 0.3488 ( 760 PWs) bands (ev): -5.3060 -5.3059 -0.1080 -0.1077 0.0783 0.0790 2.0321 2.0324 4.9821 4.9839 7.8162 7.8178 9.1753 9.1767 10.3058 10.3074 19.3675 19.3710 20.3065 20.3068 22.6951 22.6997 22.9789 22.9796 k = 0.5000 0.2278 0.3488 ( 760 PWs) bands (ev): -5.2543 -5.2542 -0.0553 -0.0551 0.1208 0.1214 2.0858 2.0861 4.8420 4.8439 7.7285 7.7302 9.0726 9.0741 10.1589 10.1606 19.3780 19.3816 20.4206 20.4208 22.7702 22.7751 22.9798 22.9805 k = 0.5000 0.2357 0.3488 ( 756 PWs) bands (ev): -5.2012 -5.2011 -0.0013 -0.0010 0.1633 0.1640 2.1412 2.1415 4.7039 4.7059 7.6385 7.6402 8.9678 8.9693 10.0122 10.0139 19.3912 19.3949 20.5327 20.5329 22.8432 22.8484 22.9844 22.9852 k = 0.5000 0.2435 0.3488 ( 756 PWs) bands (ev): -5.1467 -5.1466 0.0542 0.0545 0.2056 0.2064 2.1982 2.1986 4.5682 4.5702 7.5462 7.5479 8.8610 8.8626 9.8658 9.8675 19.4071 19.4108 20.6427 20.6428 22.9131 22.9186 22.9928 22.9936 k = 0.5000 0.2514 0.3488 ( 756 PWs) bands (ev): -5.0908 -5.0907 0.1109 0.1112 0.2476 0.2484 2.2570 2.2573 4.4353 4.4373 7.4518 7.4534 8.7524 8.7541 9.7200 9.7217 19.4257 19.4294 20.7508 20.7509 22.9792 22.9850 23.0049 23.0057 k = 0.5000 0.2593 0.3488 ( 756 PWs) bands (ev): -5.0335 -5.0334 0.1688 0.1692 0.2887 0.2896 2.3173 2.3177 4.3057 4.3078 7.3552 7.3569 8.6423 8.6440 9.5748 9.5765 19.4470 19.4508 20.8571 20.8572 23.0207 23.0215 23.0408 23.0467 k = 0.5000 0.2671 0.3488 ( 756 PWs) bands (ev): -4.9750 -4.9749 0.2279 0.2283 0.3288 0.3297 2.3792 2.3796 4.1801 4.1823 7.2567 7.2584 8.5308 8.5325 9.4304 9.4322 19.4711 19.4750 20.9618 20.9619 23.0402 23.0410 23.0969 23.1032 k = 0.5000 0.2750 0.3488 ( 756 PWs) bands (ev): -4.9154 -4.9153 0.2881 0.2884 0.3672 0.3682 2.4427 2.4431 4.0589 4.0612 7.1564 7.1581 8.4182 8.4199 9.2870 9.2888 19.4980 19.5019 21.0652 21.0652 23.0632 23.0641 23.1471 23.1536 k = 0.5000 0.2828 0.3488 ( 756 PWs) bands (ev): -4.8546 -4.8545 0.3492 0.3495 0.4036 0.4047 2.5077 2.5081 3.9429 3.9452 7.0543 7.0561 8.3047 8.3064 9.1447 9.1465 19.5276 19.5316 21.1672 21.1672 23.0898 23.0907 23.1906 23.1973 k = 0.5000 0.2907 0.3488 ( 752 PWs) bands (ev): -4.7928 -4.7927 0.4112 0.4115 0.4375 0.4386 2.5741 2.5745 3.8327 3.8351 6.9507 6.9524 8.1906 8.1924 9.0036 9.0054 19.5599 19.5639 21.2682 21.2682 23.1199 23.1208 23.2271 23.2340 k = 0.5000 0.2985 0.3488 ( 756 PWs) bands (ev): -4.7301 -4.7300 0.4682 0.4694 0.4739 0.4743 2.6419 2.6424 3.7290 3.7315 6.8456 6.8473 8.0761 8.0779 8.8638 8.8657 19.5948 19.5988 21.3682 21.3682 23.1533 23.1543 23.2560 23.2631 k = 0.5000 0.3064 0.3488 ( 764 PWs) bands (ev): -4.6666 -4.6665 0.4952 0.4964 0.5373 0.5377 2.7110 2.7115 3.6327 3.6352 6.7391 6.7408 7.9615 7.9633 8.7254 8.7273 19.6321 19.6362 21.4674 21.4675 23.1899 23.1909 23.2772 23.2845 k = 0.5000 0.3142 0.3488 ( 764 PWs) bands (ev): -4.6024 -4.6023 0.5178 0.5190 0.6012 0.6016 2.7815 2.7819 3.5446 3.5471 6.6314 6.6331 7.8471 7.8489 8.5886 8.5905 19.6721 19.6763 21.5660 21.5661 23.2297 23.2306 23.2908 23.2982 k = 0.5000 0.3221 0.3488 ( 764 PWs) bands (ev): -4.5376 -4.5375 0.5353 0.5366 0.6655 0.6658 2.8531 2.8535 3.4654 3.4680 6.5226 6.5244 7.7333 7.7350 8.4534 8.4553 19.7145 19.7187 21.6641 21.6642 23.2723 23.2733 23.2967 23.3042 k = 0.5000 0.3300 0.3488 ( 764 PWs) bands (ev): -4.4724 -4.4723 0.5472 0.5486 0.7299 0.7303 2.9257 2.9262 3.3959 3.3986 6.4129 6.4147 7.6202 7.6220 8.3200 8.3219 19.7592 19.7634 21.7618 21.7618 23.2951 23.3027 23.3178 23.3187 k = 0.5000 0.3378 0.3488 ( 764 PWs) bands (ev): -4.4069 -4.4068 0.5530 0.5544 0.7944 0.7948 2.9994 2.9999 3.3369 3.3397 6.3024 6.3042 7.5083 7.5100 8.1885 8.1904 19.8061 19.8102 21.8591 21.8591 23.2863 23.2939 23.3657 23.3667 k = 0.5000 0.3457 0.3488 ( 764 PWs) bands (ev): -4.3413 -4.3412 0.5522 0.5536 0.8588 0.8591 3.0739 3.0744 3.2890 3.2917 6.1912 6.1930 7.3978 7.3996 8.0590 8.0609 19.8549 19.8591 21.9560 21.9561 23.2707 23.2783 23.4161 23.4170 k = 0.5000 0.3535 0.3488 ( 760 PWs) bands (ev): -4.2759 -4.2757 0.5447 0.5461 0.9228 0.9231 3.1491 3.1497 3.2525 3.2552 6.0795 6.0812 7.2892 7.2909 7.9317 7.9336 19.9056 19.9098 22.0527 22.0528 23.2489 23.2566 23.4685 23.4694 k = 0.5000 0.3614 0.3488 ( 760 PWs) bands (ev): -4.2107 -4.2106 0.5304 0.5318 0.9862 0.9865 3.2230 3.2255 3.2296 3.2304 5.9673 5.9691 7.1827 7.1844 7.8068 7.8086 19.9580 19.9621 22.1489 22.1490 23.2215 23.2292 23.5227 23.5237 k = 0.5000 0.3692 0.3488 ( 756 PWs) bands (ev): -4.1461 -4.1460 0.5096 0.5109 1.0487 1.0491 3.2143 3.2172 3.3013 3.3016 5.8548 5.8566 7.0787 7.0804 7.6844 7.6862 20.0118 20.0159 22.2445 22.2447 23.1895 23.1971 23.5785 23.5794 k = 0.5000 0.3771 0.3488 ( 756 PWs) bands (ev): -4.0824 -4.0823 0.4827 0.4840 1.1102 1.1105 3.2125 3.2154 3.3775 3.3779 5.7422 5.7440 6.9776 6.9793 7.5648 7.5665 20.0666 20.0708 22.3392 22.3394 23.1535 23.1611 23.6354 23.6363 k = 0.5000 0.3850 0.3488 ( 764 PWs) bands (ev): -4.0198 -4.0197 0.4505 0.4517 1.1702 1.1705 3.2217 3.2245 3.4536 3.4541 5.6295 5.6313 6.8798 6.8814 7.4482 7.4500 20.1222 20.1263 22.4324 22.4326 23.1149 23.1224 23.6930 23.6939 k = 0.5000 0.3928 0.3488 ( 764 PWs) bands (ev): -3.9587 -3.9586 0.4138 0.4150 1.2285 1.2288 3.2414 3.2441 3.5293 3.5298 5.5170 5.5188 6.7857 6.7873 7.3351 7.3368 20.1784 20.1825 22.5227 22.5230 23.0759 23.0834 23.7510 23.7519 k = 0.5000 0.4007 0.3488 ( 768 PWs) bands (ev): -3.8994 -3.8993 0.3737 0.3749 1.2848 1.2851 3.2706 3.2733 3.6042 3.6046 5.4047 5.4065 6.6957 6.6973 7.2258 7.2274 20.2347 20.2387 22.6077 22.6080 23.0397 23.0470 23.8089 23.8098 k = 0.5000 0.4085 0.3488 ( 768 PWs) bands (ev): -3.8423 -3.8422 0.3313 0.3324 1.3386 1.3389 3.3089 3.3115 3.6778 3.6782 5.2928 5.2946 6.6103 6.6118 7.1207 7.1223 20.2908 20.2946 22.6812 22.6813 23.0132 23.0201 23.8660 23.8669 k = 0.5000 0.4164 0.3488 ( 768 PWs) bands (ev): -3.7878 -3.7877 0.2877 0.2887 1.3897 1.3900 3.3552 3.3578 3.7497 3.7501 5.1815 5.1833 6.5298 6.5312 7.0205 7.0220 20.3460 20.3497 22.7303 22.7309 23.0097 23.0156 23.9219 23.9227 k = 0.5000 0.4242 0.3488 ( 772 PWs) bands (ev): -3.7365 -3.7363 0.2441 0.2450 1.4376 1.4379 3.4090 3.4115 3.8192 3.8195 5.0709 5.0727 6.4548 6.4561 6.9257 6.9272 20.3997 20.4033 22.7422 22.7441 23.0424 23.0467 23.9758 23.9766 k = 0.5000 0.4321 0.3488 ( 772 PWs) bands (ev): -3.6886 -3.6885 0.2015 0.2023 1.4819 1.4822 3.4694 3.4718 3.8856 3.8859 4.9611 4.9630 6.3856 6.3869 6.8371 6.8384 20.4514 20.4548 22.7243 22.7271 23.1045 23.1076 24.0271 24.0279 k = 0.5000 0.4399 0.3488 ( 768 PWs) bands (ev): -3.6448 -3.6447 0.1611 0.1617 1.5223 1.5225 3.5357 3.5381 3.9481 3.9484 4.8524 4.8543 6.3228 6.3240 6.7555 6.7567 20.5003 20.5035 22.6927 22.6959 23.1803 23.1826 24.0750 24.0757 k = 0.5000 0.4478 0.3488 ( 768 PWs) bands (ev): -3.6056 -3.6055 0.1237 0.1243 1.5583 1.5585 3.6073 3.6096 4.0056 4.0059 4.7450 4.7468 6.2668 6.2679 6.6818 6.6829 20.5455 20.5484 22.6570 22.6601 23.2601 23.2620 24.1187 24.1193 k = 0.5000 0.4557 0.3488 ( 768 PWs) bands (ev): -3.5714 -3.5713 0.0904 0.0909 1.5894 1.5896 3.6836 3.6859 4.0572 4.0574 4.6389 4.6408 6.2182 6.2191 6.6170 6.6181 20.5861 20.5886 22.6220 22.6248 23.3388 23.3403 24.1574 24.1580 k = 0.5000 0.4635 0.3488 ( 764 PWs) bands (ev): -3.5427 -3.5426 0.0620 0.0624 1.6155 1.6157 3.7640 3.7663 4.1017 4.1018 4.5347 4.5366 6.1774 6.1781 6.5623 6.5631 20.6213 20.6234 22.5904 22.5928 23.4125 23.4138 24.1904 24.1909 k = 0.5000 0.4714 0.3488 ( 760 PWs) bands (ev): -3.5198 -3.5198 0.0391 0.0394 1.6362 1.6363 3.8478 3.8500 4.1379 4.1380 4.4326 4.4345 6.1449 6.1455 6.5185 6.5191 20.6500 20.6516 22.5642 22.5661 23.4775 23.4786 24.2170 24.2173 k = 0.5000 0.4792 0.3488 ( 760 PWs) bands (ev): -3.5033 -3.5032 0.0224 0.0226 1.6511 1.6512 3.9338 3.9359 4.1646 4.1646 4.3338 4.3356 6.1213 6.1217 6.4865 6.4869 20.6712 20.6723 22.5445 22.5458 23.5293 23.5301 24.2364 24.2367 k = 0.5000 0.4871 0.3488 ( 760 PWs) bands (ev): -3.4932 -3.4932 0.0122 0.0123 1.6602 1.6602 4.0183 4.0202 4.1809 4.1811 4.2419 4.2434 6.1070 6.1072 6.4671 6.4673 20.6844 20.6850 22.5324 22.5330 23.5633 23.5637 24.2483 24.2484 k = 0.5000 0.4949 0.3488 ( 760 PWs) bands (ev): -3.4898 -3.4898 0.0088 0.0088 1.6632 1.6632 4.0725 4.0725 4.1838 4.1838 4.1897 4.1897 6.1023 6.1023 6.4606 6.4606 20.6890 20.6890 22.5285 22.5285 23.5753 23.5753 24.2524 24.2524 k = 0.5000 0.4949 0.3488 ( 760 PWs) bands (ev): -3.4898 -3.4898 0.0088 0.0088 1.6632 1.6632 4.0725 4.0725 4.1838 4.1838 4.1897 4.1897 6.1023 6.1023 6.4606 6.4606 20.6890 20.6890 22.5285 22.5285 23.5753 23.5753 24.2524 24.2524 k = 0.4921 0.4949 0.3488 ( 760 PWs) bands (ev): -3.4913 -3.4913 0.0023 0.0024 1.6678 1.6680 4.0707 4.0708 4.1708 4.1763 4.1952 4.2007 6.1085 6.1085 6.4666 6.4666 20.6890 20.6891 22.5267 22.5267 23.5707 23.5708 24.2228 24.2241 k = 0.4841 0.4949 0.3488 ( 760 PWs) bands (ev): -3.4959 -3.4959 -0.0168 -0.0167 1.6814 1.6818 4.0659 4.0662 4.1522 4.1569 4.2088 4.2134 6.1271 6.1271 6.4843 6.4844 20.6890 20.6893 22.5214 22.5215 23.5571 23.5574 24.1526 24.1545 k = 0.4762 0.4949 0.3488 ( 760 PWs) bands (ev): -3.5035 -3.5034 -0.0477 -0.0475 1.7028 1.7033 4.0588 4.0591 4.1258 4.1297 4.2268 4.2306 6.1575 6.1575 6.5134 6.5135 20.6891 20.6895 22.5126 22.5127 23.5350 23.5354 24.0641 24.0662 k = 0.4683 0.4949 0.3488 ( 764 PWs) bands (ev): -3.5140 -3.5139 -0.0891 -0.0888 1.7303 1.7310 4.0504 4.0508 4.0911 4.0944 4.2502 4.2534 6.1990 6.1990 6.5530 6.5531 20.6892 20.6898 22.5004 22.5006 23.5049 23.5055 23.9682 23.9703 k = 0.4603 0.4949 0.3488 ( 764 PWs) bands (ev): -3.5274 -3.5273 -0.1395 -0.1391 1.7619 1.7628 4.0424 4.0426 4.0490 4.0515 4.2795 4.2821 6.2507 6.2507 6.6021 6.6023 20.6895 20.6902 22.4850 22.4851 23.4677 23.4684 23.8695 23.8716 k = 0.4524 0.4949 0.3488 ( 764 PWs) bands (ev): -3.5436 -3.5435 -0.1974 -0.1970 1.7954 1.7963 3.9993 4.0018 4.0363 4.0369 4.3147 4.3169 6.3116 6.3116 6.6598 6.6600 20.6900 20.6909 22.4663 22.4665 23.4242 23.4250 23.7701 23.7722 k = 0.4444 0.4949 0.3488 ( 764 PWs) bands (ev): -3.5625 -3.5624 -0.2614 -0.2610 1.8284 1.8295 3.9440 3.9461 4.0339 4.0347 4.3558 4.3577 6.3808 6.3808 6.7251 6.7253 20.6908 20.6917 22.4447 22.4449 23.3753 23.3762 23.6713 23.6733 k = 0.4365 0.4949 0.3488 ( 768 PWs) bands (ev): -3.5840 -3.5839 -0.3304 -0.3299 1.8590 1.8601 3.8836 3.8855 4.0372 4.0380 4.4026 4.4042 6.4571 6.4571 6.7968 6.7970 20.6917 20.6928 22.4202 22.4204 23.3220 23.3229 23.5736 23.5755 k = 0.4286 0.4949 0.3488 ( 772 PWs) bands (ev): -3.6079 -3.6078 -0.4031 -0.4026 1.8850 1.8862 3.8190 3.8207 4.0478 4.0486 4.4552 4.4565 6.5397 6.5398 6.8741 6.8744 20.6930 20.6942 22.3931 22.3933 23.2650 23.2660 23.4775 23.4793 k = 0.4206 0.4949 0.3488 ( 772 PWs) bands (ev): -3.6342 -3.6341 -0.4787 -0.4783 1.9050 1.9063 3.7510 3.7526 4.0672 4.0681 4.5134 4.5145 6.6279 6.6279 6.9562 6.9565 20.6947 20.6960 22.3633 22.3635 23.2052 23.2062 23.3834 23.3851 k = 0.4127 0.4949 0.3488 ( 764 PWs) bands (ev): -3.6627 -3.6625 -0.5564 -0.5560 1.9178 1.9191 3.6804 3.6818 4.0966 4.0974 4.5770 4.5780 6.7207 6.7208 7.0424 7.0427 20.6970 20.6985 22.3315 22.3318 23.1432 23.1444 23.2917 23.2933 k = 0.4048 0.4949 0.3488 ( 764 PWs) bands (ev): -3.6932 -3.6930 -0.6357 -0.6353 1.9224 1.9237 3.6076 3.6089 4.1366 4.1375 4.6458 4.6467 6.8176 6.8177 7.1318 7.1322 20.6998 20.7014 22.2976 22.2978 23.0798 23.0810 23.2023 23.2038 k = 0.3968 0.4949 0.3488 ( 764 PWs) bands (ev): -3.7256 -3.7254 -0.7160 -0.7155 1.9186 1.9199 3.5332 3.5344 4.1877 4.1886 4.7197 4.7204 6.9179 6.9180 7.2240 7.2244 20.7033 20.7050 22.2618 22.2620 23.0155 23.0167 23.1156 23.1170 k = 0.3889 0.4949 0.3488 ( 764 PWs) bands (ev): -3.7597 -3.7595 -0.7968 -0.7964 1.9064 1.9077 3.4577 3.4588 4.2498 4.2506 4.7984 4.7990 7.0211 7.0213 7.3185 7.3189 20.7074 20.7093 22.2243 22.2245 22.9508 22.9520 23.0316 23.0330 k = 0.3810 0.4949 0.3488 ( 764 PWs) bands (ev): -3.7954 -3.7952 -0.8779 -0.8775 1.8864 1.8876 3.3814 3.3825 4.3224 4.3232 4.8818 4.8823 7.1268 7.1270 7.4147 7.4152 20.7125 20.7144 22.1853 22.1855 22.8860 22.8873 22.9506 22.9518 k = 0.3730 0.4949 0.3488 ( 764 PWs) bands (ev): -3.8325 -3.8323 -0.9589 -0.9585 1.8590 1.8602 3.3047 3.3057 4.4049 4.4057 4.9697 4.9701 7.2345 7.2347 7.5123 7.5128 20.7184 20.7204 22.1450 22.1451 22.8216 22.8229 22.8725 22.8737 k = 0.3651 0.4949 0.3488 ( 764 PWs) bands (ev): -3.8708 -3.8707 -1.0396 -1.0391 1.8252 1.8264 3.2279 3.2288 4.4965 4.4972 5.0618 5.0621 7.3438 7.3441 7.6110 7.6115 20.7253 20.7275 22.1036 22.1037 22.7579 22.7592 22.7977 22.7988 k = 0.3571 0.4949 0.3488 ( 760 PWs) bands (ev): -3.9103 -3.9101 -1.1197 -1.1193 1.7858 1.7869 3.1512 3.1521 4.5964 4.5970 5.1581 5.1583 7.4545 7.4548 7.7104 7.7109 20.7334 20.7356 22.0613 22.0613 22.6952 22.6965 22.7260 22.7271 k = 0.3492 0.4949 0.3488 ( 756 PWs) bands (ev): -3.9507 -3.9505 -1.1990 -1.1986 1.7417 1.7428 3.0748 3.0756 4.7037 4.7042 5.2582 5.2583 7.5662 7.5665 7.8101 7.8108 20.7425 20.7449 22.0181 22.0181 22.6338 22.6351 22.6578 22.6588 k = 0.3413 0.4949 0.3488 ( 752 PWs) bands (ev): -3.9919 -3.9917 -1.2775 -1.2771 1.6936 1.6946 2.9989 2.9997 4.8174 4.8179 5.3620 5.3620 7.6785 7.6788 7.9100 7.9107 20.7529 20.7554 21.9742 21.9743 22.5739 22.5751 22.5929 22.5938 k = 0.3333 0.4949 0.3488 ( 752 PWs) bands (ev): -4.0337 -4.0335 -1.3550 -1.3547 1.6424 1.6433 2.9237 2.9245 4.9370 4.9374 5.4690 5.4691 7.7912 7.7916 8.0097 8.0105 20.7646 20.7671 21.9298 21.9299 22.5156 22.5169 22.5315 22.5324 k = 0.3254 0.4949 0.3488 ( 756 PWs) bands (ev): -4.0761 -4.0759 -1.4314 -1.4311 1.5886 1.5895 2.8493 2.8500 5.0617 5.0620 5.5792 5.5793 7.9041 7.9045 8.1091 8.1099 20.7775 20.7801 21.8850 21.8852 22.4593 22.4605 22.4735 22.4744 k = 0.3175 0.4949 0.3488 ( 760 PWs) bands (ev): -4.1188 -4.1186 -1.5066 -1.5063 1.5329 1.5337 2.7758 2.7765 5.1908 5.1911 5.6924 5.6926 8.0169 8.0173 8.2079 8.2087 20.7918 20.7945 21.8400 21.8402 22.4051 22.4063 22.4192 22.4201 k = 0.3095 0.4949 0.3488 ( 760 PWs) bands (ev): -4.1618 -4.1616 -1.5805 -1.5801 1.4757 1.4766 2.7033 2.7040 5.3239 5.3242 5.8084 5.8087 8.1294 8.1299 8.3060 8.3068 20.8073 20.8101 21.7948 21.7951 22.3532 22.3545 22.3686 22.3694 k = 0.3016 0.4949 0.3488 ( 760 PWs) bands (ev): -4.2049 -4.2047 -1.6529 -1.6526 1.4176 1.4184 2.6320 2.6327 5.4605 5.4607 5.9271 5.9275 8.2413 8.2419 8.4030 8.4039 20.8242 20.8270 21.7496 21.7499 22.3039 22.3052 22.3217 22.3224 k = 0.2937 0.4949 0.3488 ( 760 PWs) bands (ev): -4.2481 -4.2479 -1.7240 -1.7236 1.3589 1.3597 2.5620 2.5626 5.6001 5.6002 6.0482 6.0486 8.3526 8.3532 8.4989 8.4999 20.8422 20.8451 21.7045 21.7048 22.2574 22.2587 22.2785 22.2791 k = 0.2857 0.4949 0.3488 ( 760 PWs) bands (ev): -4.2911 -4.2909 -1.7935 -1.7932 1.2999 1.3006 2.4932 2.4938 5.7422 5.7423 6.1714 6.1719 8.4629 8.4635 8.5935 8.5945 20.8613 20.8643 21.6594 21.6598 22.2139 22.2152 22.2390 22.2396 k = 0.2778 0.4949 0.3488 ( 760 PWs) bands (ev): -4.3340 -4.3338 -1.8614 -1.8611 1.2410 1.2416 2.4258 2.4264 5.8867 5.8867 6.2966 6.2971 8.5720 8.5727 8.6866 8.6877 20.8813 20.8843 21.6147 21.6151 22.1738 22.1751 22.2034 22.2039 k = 0.2698 0.4949 0.3488 ( 760 PWs) bands (ev): -4.3765 -4.3763 -1.9278 -1.9275 1.1822 1.1829 2.3599 2.3604 6.0330 6.0331 6.4235 6.4241 8.6799 8.6806 8.7780 8.7792 20.9020 20.9050 21.5702 21.5706 22.1373 22.1386 22.1715 22.1719 k = 0.2619 0.4949 0.3488 ( 760 PWs) bands (ev): -4.4186 -4.4184 -1.9925 -1.9922 1.1240 1.1246 2.2955 2.2960 6.1810 6.1810 6.5519 6.5526 8.7863 8.7870 8.8677 8.8689 20.9230 20.9260 21.5260 21.5265 22.1049 22.1061 22.1433 22.1438 k = 0.2540 0.4949 0.3488 ( 760 PWs) bands (ev): -4.4603 -4.4601 -2.0555 -2.0552 1.0664 1.0670 2.2326 2.2331 6.3302 6.3304 6.6816 6.6824 8.8909 8.8918 8.9554 8.9567 20.9440 20.9470 21.4822 21.4828 22.0769 22.0781 22.1190 22.1194 k = 0.2460 0.4949 0.3488 ( 752 PWs) bands (ev): -4.5014 -4.5012 -2.1168 -2.1165 1.0097 1.0103 2.1713 2.1718 6.4806 6.4808 6.8125 6.8134 8.9938 8.9947 9.0411 9.0424 20.9647 20.9677 21.4390 21.4396 22.0539 22.0551 22.0984 22.0988 k = 0.2381 0.4949 0.3488 ( 752 PWs) bands (ev): -4.5418 -4.5416 -2.1763 -2.1761 0.9539 0.9545 2.1117 2.1121 6.6316 6.6319 6.9441 6.9450 9.0946 9.0955 9.1246 9.1260 20.9844 20.9873 21.3962 21.3968 22.0364 22.0374 22.0815 22.0819 k = 0.2302 0.4949 0.3488 ( 752 PWs) bands (ev): -4.5815 -4.5813 -2.2341 -2.2339 0.8993 0.8997 2.0537 2.0541 6.7832 6.7835 7.0763 7.0773 9.1933 9.1943 9.2058 9.2073 21.0026 21.0054 21.3537 21.3544 22.0247 22.0257 22.0683 22.0687 k = 0.2222 0.4949 0.3488 ( 756 PWs) bands (ev): -4.6204 -4.6203 -2.2902 -2.2899 0.8457 0.8462 1.9974 1.9978 6.9350 6.9353 7.2088 7.2099 9.2845 9.2861 9.2897 9.2907 21.0188 21.0215 21.3117 21.3124 22.0196 22.0204 22.0587 22.0591 k = 0.2143 0.4949 0.3488 ( 756 PWs) bands (ev): -4.6585 -4.6583 -2.3443 -2.3441 0.7936 0.7940 1.9429 1.9433 7.0867 7.0871 7.3414 7.3425 9.3608 9.3625 9.3835 9.3846 21.0326 21.0351 21.2703 21.2710 22.0213 22.0220 22.0526 22.0530 k = 0.2063 0.4949 0.3488 ( 760 PWs) bands (ev): -4.6956 -4.6954 -2.3966 -2.3964 0.7428 0.7432 1.8902 1.8906 7.2381 7.2385 7.4738 7.4750 9.4345 9.4362 9.4748 9.4759 21.0434 21.0458 21.2294 21.2301 22.0303 22.0307 22.0500 22.0504 k = 0.1984 0.4949 0.3488 ( 760 PWs) bands (ev): -4.7317 -4.7316 -2.4471 -2.4469 0.6935 0.6939 1.8393 1.8396 7.3889 7.3894 7.6057 7.6070 9.5055 9.5074 9.5633 9.5644 21.0512 21.0534 21.1890 21.1897 22.0465 22.0467 22.0508 22.0512 k = 0.1905 0.4949 0.3488 ( 760 PWs) bands (ev): -4.7668 -4.7667 -2.4957 -2.4955 0.6457 0.6461 1.7902 1.7905 7.5388 7.5394 7.7369 7.7383 9.5738 9.5757 9.6489 9.6501 21.0558 21.0578 21.1491 21.1499 22.0546 22.0550 22.0702 22.0702 k = 0.1825 0.4949 0.3488 ( 760 PWs) bands (ev): -4.8008 -4.8007 -2.5424 -2.5422 0.5995 0.5999 1.7429 1.7433 7.6876 7.6882 7.8671 7.8686 9.6393 9.6413 9.7315 9.7328 21.0572 21.0590 21.1097 21.1105 22.0615 22.0619 22.1006 22.1007 k = 0.1746 0.4949 0.3488 ( 760 PWs) bands (ev): -4.8337 -4.8336 -2.5872 -2.5870 0.5550 0.5553 1.6976 1.6979 7.8348 7.8355 7.9960 7.9976 9.7019 9.7040 9.8111 9.8124 21.0557 21.0574 21.0707 21.0716 22.0713 22.0718 22.1375 22.1378 k = 0.1667 0.4949 0.3488 ( 756 PWs) bands (ev): -4.8654 -4.8653 -2.6300 -2.6299 0.5122 0.5125 1.6541 1.6544 7.9802 7.9810 8.1232 8.1249 9.7617 9.7639 9.8874 9.8888 21.0322 21.0330 21.0520 21.0533 22.0839 22.0843 22.1804 22.1810 k = 0.1587 0.4949 0.3488 ( 756 PWs) bands (ev): -4.8959 -4.8957 -2.6710 -2.6708 0.4711 0.4714 1.6126 1.6129 8.1234 8.1242 8.2485 8.2502 9.8184 9.8207 9.9604 9.9619 20.9942 20.9950 21.0458 21.0470 22.0988 22.0993 22.2287 22.2294 k = 0.1508 0.4949 0.3488 ( 760 PWs) bands (ev): -4.9251 -4.9249 -2.7100 -2.7099 0.4319 0.4322 1.5729 1.5732 8.2641 8.2650 8.3714 8.3732 9.8721 9.8745 10.0300 10.0315 20.9565 20.9573 21.0379 21.0390 22.1159 22.1164 22.2815 22.2824 k = 0.1429 0.4949 0.3488 ( 756 PWs) bands (ev): -4.9530 -4.9529 -2.7471 -2.7469 0.3944 0.3947 1.5353 1.5355 8.4019 8.4028 8.4918 8.4937 9.9228 9.9253 10.0961 10.0977 20.9192 20.9200 21.0288 21.0297 22.1351 22.1356 22.3383 22.3393 k = 0.1349 0.4949 0.3488 ( 756 PWs) bands (ev): -4.9796 -4.9794 -2.7822 -2.7820 0.3589 0.3591 1.4996 1.4998 8.5364 8.5373 8.6090 8.6111 9.9705 9.9730 10.1586 10.1602 20.8823 20.8832 21.0186 21.0194 22.1559 22.1565 22.3981 22.3993 k = 0.1270 0.4949 0.3488 ( 756 PWs) bands (ev): -5.0048 -5.0046 -2.8153 -2.8152 0.3252 0.3254 1.4658 1.4661 8.6671 8.6681 8.7229 8.7250 10.0150 10.0177 10.2175 10.2191 20.8458 20.8467 21.0078 21.0084 22.1781 22.1787 22.4604 22.4617 k = 0.1190 0.4949 0.3488 ( 756 PWs) bands (ev): -5.0286 -5.0285 -2.8465 -2.8463 0.2935 0.2937 1.4341 1.4343 8.7937 8.7948 8.8330 8.8352 10.0565 10.0592 10.2727 10.2743 20.8098 20.8107 20.9966 20.9971 22.2014 22.2020 22.5243 22.5257 k = 0.1111 0.4949 0.3488 ( 756 PWs) bands (ev): -5.0510 -5.0509 -2.8756 -2.8755 0.2637 0.2639 1.4043 1.4045 8.9157 8.9168 8.9390 8.9412 10.0949 10.0977 10.3241 10.3258 20.7742 20.7751 20.9852 20.9857 22.2254 22.2260 22.5892 22.5906 k = 0.1032 0.4949 0.3488 ( 756 PWs) bands (ev): -5.0719 -5.0718 -2.9028 -2.9027 0.2358 0.2360 1.3766 1.3768 9.0326 9.0337 9.0404 9.0427 10.1302 10.1330 10.3717 10.3734 20.7393 20.7402 20.9740 20.9744 22.2498 22.2505 22.6542 22.6556 k = 0.0952 0.4949 0.3488 ( 756 PWs) bands (ev): -5.0914 -5.0913 -2.9280 -2.9279 0.2100 0.2102 1.3509 1.3511 9.1368 9.1392 9.1439 9.1451 10.1624 10.1652 10.4155 10.4173 20.7050 20.7059 20.9630 20.9633 22.2742 22.2750 22.7186 22.7201 k = 0.0873 0.4949 0.3488 ( 760 PWs) bands (ev): -5.1094 -5.1093 -2.9512 -2.9511 0.1861 0.1863 1.3272 1.3274 9.2278 9.2302 9.2492 9.2504 10.1914 10.1943 10.4555 10.4572 20.6716 20.6725 20.9524 20.9527 22.2982 22.2990 22.7816 22.7831 k = 0.0794 0.4949 0.3488 ( 760 PWs) bands (ev): -5.1259 -5.1258 -2.9724 -2.9723 0.1643 0.1645 1.3056 1.3057 9.3130 9.3155 9.3479 9.3491 10.2175 10.2204 10.4916 10.4933 20.6393 20.6402 20.9424 20.9426 22.3216 22.3225 22.8425 22.8441 k = 0.0714 0.4949 0.3488 ( 760 PWs) bands (ev): -5.1409 -5.1408 -2.9916 -2.9915 0.1446 0.1447 1.2860 1.2861 9.3921 9.3945 9.4395 9.4407 10.2406 10.2434 10.5239 10.5256 20.6084 20.6092 20.9330 20.9332 22.3438 22.3448 22.8087 22.8093 k = 0.0635 0.4949 0.3488 ( 760 PWs) bands (ev): -5.1543 -5.1542 -3.0088 -3.0087 0.1268 0.1269 1.2684 1.2685 9.4646 9.4670 9.5234 9.5246 10.2607 10.2634 10.5525 10.5540 20.5793 20.5800 20.9244 20.9245 22.3645 22.3656 22.7224 22.7232 k = 0.0556 0.4949 0.3488 ( 760 PWs) bands (ev): -5.1662 -5.1661 -3.0240 -3.0239 0.1112 0.1113 1.2529 1.2530 9.5300 9.5323 9.5992 9.6003 10.2780 10.2805 10.5773 10.5787 20.5522 20.5528 20.9166 20.9166 22.3831 22.3844 22.6466 22.6476 k = 0.0476 0.4949 0.3488 ( 760 PWs) bands (ev): -5.1765 -5.1765 -3.0371 -3.0370 0.0976 0.0977 1.2394 1.2395 9.5879 9.5900 9.6663 9.6673 10.2925 10.2949 10.5984 10.5998 20.5275 20.5281 20.9096 20.9097 22.3989 22.4004 22.5818 22.5831 k = 0.0397 0.4949 0.3488 ( 756 PWs) bands (ev): -5.1852 -5.1852 -3.0482 -3.0482 0.0861 0.0861 1.2281 1.2281 9.6382 9.6401 9.7242 9.7252 10.3044 10.3065 10.6160 10.6172 20.5058 20.5064 20.9037 20.9037 22.4105 22.4124 22.5292 22.5310 k = 0.0317 0.4949 0.3488 ( 756 PWs) bands (ev): -5.1924 -5.1924 -3.0573 -3.0573 0.0766 0.0767 1.2188 1.2188 9.6799 9.6815 9.7724 9.7732 10.3138 10.3156 10.6302 10.6312 20.4874 20.4879 20.8987 20.8987 22.4147 22.4171 22.4917 22.4939 k = 0.0238 0.4949 0.3488 ( 756 PWs) bands (ev): -5.1980 -5.1980 -3.0644 -3.0644 0.0693 0.0693 1.2115 1.2115 9.7129 9.7142 9.8105 9.8111 10.3209 10.3223 10.6411 10.6418 20.4727 20.4730 20.8948 20.8948 22.4075 22.4095 22.4739 22.4759 k = 0.0159 0.4949 0.3488 ( 760 PWs) bands (ev): -5.2020 -5.2020 -3.0695 -3.0695 0.0640 0.0641 1.2063 1.2063 9.7368 9.7377 9.8380 9.8384 10.3258 10.3268 10.6487 10.6492 20.4618 20.4620 20.8919 20.8919 22.3936 22.3948 22.4708 22.4719 k = 0.0079 0.4949 0.3488 ( 756 PWs) bands (ev): -5.2044 -5.2044 -3.0725 -3.0725 0.0609 0.0609 1.2032 1.2032 9.7515 9.7519 9.8547 9.8549 10.3290 10.3295 10.6534 10.6537 20.4553 20.4554 20.8902 20.8902 22.3827 22.3832 22.4718 22.4723 k = 0.0000 0.4949 0.3488 ( 752 PWs) bands (ev): -5.2052 -5.2052 -3.0735 -3.0735 0.0599 0.0599 1.2022 1.2022 9.7566 9.7566 9.8603 9.8603 10.3302 10.3302 10.6551 10.6551 20.4532 20.4532 20.8896 20.8896 22.3789 22.3789 22.4725 22.4725 k = 0.0000 0.4949 0.3488 ( 752 PWs) bands (ev): -5.2052 -5.2052 -3.0735 -3.0735 0.0599 0.0599 1.2022 1.2022 9.7566 9.7566 9.8603 9.8603 10.3302 10.3302 10.6551 10.6551 20.4532 20.4532 20.8896 20.8896 22.3789 22.3789 22.4725 22.4725 k = 0.0000 0.4871 0.3488 ( 756 PWs) bands (ev): -5.2107 -5.2107 -3.0701 -3.0701 0.0545 0.0547 1.2133 1.2134 9.7471 9.7471 9.8684 9.8684 10.3297 10.3298 10.6544 10.6545 20.4525 20.4526 20.8901 20.8903 22.3770 22.3772 22.4708 22.4708 k = 0.0000 0.4792 0.3488 ( 756 PWs) bands (ev): -5.2272 -5.2272 -3.0602 -3.0601 0.0396 0.0399 1.2459 1.2462 9.7242 9.7242 9.8870 9.8870 10.3285 10.3286 10.6527 10.6528 20.4509 20.4511 20.8920 20.8924 22.3716 22.3718 22.4657 22.4657 k = 0.0000 0.4714 0.3488 ( 756 PWs) bands (ev): -5.2540 -5.2540 -3.0445 -3.0444 0.0173 0.0178 1.2979 1.2983 9.6949 9.6949 9.9095 9.9095 10.3263 10.3265 10.6499 10.6499 20.4480 20.4483 20.8950 20.8956 22.3629 22.3632 22.4580 22.4580 k = 0.0000 0.4635 0.3488 ( 756 PWs) bands (ev): -5.2904 -5.2904 -3.0241 -3.0239 -0.0090 -0.0085 1.3665 1.3670 9.6622 9.6622 9.9327 9.9327 10.3233 10.3236 10.6459 10.6460 20.4439 20.4444 20.8992 20.9000 22.3510 22.3515 22.4484 22.4484 k = 0.0000 0.4557 0.3488 ( 756 PWs) bands (ev): -5.3355 -5.3354 -3.0005 -3.0003 -0.0361 -0.0355 1.4489 1.4494 9.6272 9.6272 9.9555 9.9555 10.3196 10.3198 10.6408 10.6409 20.4385 20.4391 20.9045 20.9054 22.3365 22.3370 22.4377 22.4377 k = 0.0000 0.4478 0.3488 ( 756 PWs) bands (ev): -5.3880 -5.3880 -2.9754 -2.9752 -0.0611 -0.0604 1.5425 1.5431 9.5905 9.5905 9.9773 9.9774 10.3150 10.3153 10.6345 10.6347 20.4317 20.4323 20.9107 20.9118 22.3195 22.3202 22.4267 22.4268 k = 0.0000 0.4399 0.3488 ( 760 PWs) bands (ev): -5.4470 -5.4470 -2.9505 -2.9503 -0.0813 -0.0806 1.6454 1.6460 9.5524 9.5525 9.9978 9.9979 10.3097 10.3101 10.6272 10.6274 20.4232 20.4239 20.9179 20.9192 22.3006 22.3015 22.4162 22.4163 k = 0.0000 0.4321 0.3488 ( 760 PWs) bands (ev): -5.5114 -5.5114 -2.9274 -2.9272 -0.0944 -0.0937 1.7560 1.7566 9.5133 9.5133 10.0171 10.0171 10.3037 10.3041 10.6188 10.6190 20.4130 20.4138 20.9258 20.9273 22.2802 22.2811 22.4068 22.4068 k = 0.0000 0.4242 0.3488 ( 760 PWs) bands (ev): -5.5803 -5.5802 -2.9078 -2.9076 -0.0988 -0.0980 1.8730 1.8737 9.4731 9.4731 10.0348 10.0348 10.2970 10.2975 10.6093 10.6095 20.4008 20.4017 20.9344 20.9360 22.2586 22.2596 22.3990 22.3990 k = 0.0000 0.4164 0.3488 ( 760 PWs) bands (ev): -5.6528 -5.6527 -2.8930 -2.8927 -0.0929 -0.0921 1.9956 1.9963 9.4321 9.4321 10.0510 10.0511 10.2897 10.2902 10.5987 10.5990 20.3865 20.3875 20.9434 20.9453 22.2361 22.2373 22.3930 22.3930 k = 0.0000 0.4085 0.3488 ( 760 PWs) bands (ev): -5.7281 -5.7281 -2.8840 -2.8837 -0.0758 -0.0750 2.1229 2.1237 9.3903 9.3903 10.0657 10.0657 10.2818 10.2823 10.5870 10.5874 20.3699 20.3709 20.9528 20.9548 22.2131 22.2144 22.3892 22.3892 k = 0.0000 0.4007 0.3488 ( 760 PWs) bands (ev): -5.8057 -5.8056 -2.8817 -2.8814 -0.0467 -0.0459 2.2544 2.2551 9.3478 9.3478 10.0788 10.0789 10.2733 10.2739 10.5744 10.5747 20.3506 20.3517 20.9623 20.9645 22.1898 22.1912 22.3877 22.3877 k = 0.0000 0.3928 0.3488 ( 762 PWs) bands (ev): -5.8849 -5.8849 -2.8864 -2.8862 -0.0055 -0.0047 2.3895 2.3903 9.3047 9.3047 10.0903 10.0904 10.2644 10.2650 10.5607 10.5610 20.3285 20.3296 20.9717 20.9740 22.1666 22.1681 22.3888 22.3888 k = 0.0000 0.3850 0.3488 ( 754 PWs) bands (ev): -5.9653 -5.9653 -2.8983 -2.8981 0.0480 0.0488 2.5279 2.5287 9.2612 9.2612 10.1003 10.1004 10.2551 10.2558 10.5460 10.5464 20.3036 20.3047 20.9809 20.9833 22.1436 22.1453 22.3924 22.3924 k = 0.0000 0.3771 0.3488 ( 750 PWs) bands (ev): -6.0464 -6.0464 -2.9172 -2.9169 0.1133 0.1141 2.6692 2.6700 9.2172 9.2172 10.1088 10.1089 10.2454 10.2461 10.5303 10.5308 20.2755 20.2767 20.9894 20.9919 22.1212 22.1230 22.3987 22.3987 k = 0.0000 0.3692 0.3488 ( 746 PWs) bands (ev): -6.1280 -6.1279 -2.9426 -2.9424 0.1899 0.1906 2.8130 2.8139 9.1730 9.1730 10.1157 10.1158 10.2354 10.2362 10.5137 10.5142 20.2441 20.2452 20.9967 20.9994 22.0997 22.1015 22.4076 22.4076 k = 0.0000 0.3614 0.3488 ( 746 PWs) bands (ev): -6.2096 -6.2096 -2.9740 -2.9738 0.2770 0.2777 2.9592 2.9600 9.1284 9.1284 10.1211 10.1213 10.2252 10.2260 10.4960 10.4965 20.2092 20.2104 21.0026 21.0054 22.0793 22.0812 22.4191 22.4191 k = 0.0000 0.3535 0.3488 ( 750 PWs) bands (ev): -6.2911 -6.2911 -3.0108 -3.0106 0.3739 0.3746 3.1074 3.1082 9.0837 9.0837 10.1251 10.1253 10.2148 10.2157 10.4774 10.4779 20.1707 20.1719 21.0064 21.0093 22.0603 22.0624 22.4331 22.4331 k = 0.0000 0.3457 0.3488 ( 750 PWs) bands (ev): -6.3721 -6.3721 -3.0523 -3.0521 0.4798 0.4805 3.2574 3.2583 9.0389 9.0389 10.1276 10.1278 10.2044 10.2053 10.4579 10.4585 20.1289 20.1300 21.0079 21.0108 22.0433 22.0454 22.4497 22.4497 k = 0.0000 0.3378 0.3488 ( 750 PWs) bands (ev): -6.4526 -6.4526 -3.0976 -3.0974 0.5938 0.5944 3.4091 3.4100 8.9941 8.9941 10.1288 10.1291 10.1941 10.1950 10.4375 10.4381 20.0835 20.0846 21.0062 21.0091 22.0286 22.0307 22.4687 22.4687 k = 0.0000 0.3300 0.3488 ( 750 PWs) bands (ev): -6.5323 -6.5323 -3.1462 -3.1461 0.7151 0.7158 3.5623 3.5632 8.9494 8.9494 10.1287 10.1290 10.1838 10.1847 10.4162 10.4168 20.0345 20.0356 21.0007 21.0037 22.0166 22.0188 22.4900 22.4900 k = 0.0000 0.3221 0.3488 ( 750 PWs) bands (ev): -6.6111 -6.6111 -3.1975 -3.1973 0.8432 0.8438 3.7166 3.7175 8.9048 8.9048 10.1273 10.1277 10.1738 10.1747 10.3940 10.3947 19.9820 19.9831 20.9909 20.9938 22.0079 22.0101 22.5136 22.5136 k = 0.0000 0.3142 0.3488 ( 750 PWs) bands (ev): -6.6889 -6.6888 -3.2508 -3.2507 0.9772 0.9778 3.8720 3.8729 8.8604 8.8604 10.1247 10.1252 10.1640 10.1649 10.3710 10.3718 19.9260 19.9271 20.9761 20.9789 22.0028 22.0049 22.5392 22.5392 k = 0.0000 0.3064 0.3488 ( 750 PWs) bands (ev): -6.7654 -6.7654 -3.3057 -3.3056 1.1165 1.1171 4.0282 4.0291 8.8162 8.8162 10.1209 10.1215 10.1546 10.1554 10.3473 10.3480 19.8666 19.8676 20.9559 20.9586 22.0016 22.0037 22.5669 22.5669 k = 0.0000 0.2985 0.3488 ( 750 PWs) bands (ev): -6.8407 -6.8407 -3.3617 -3.3616 1.2607 1.2613 4.1850 4.1860 8.7724 8.7724 10.1162 10.1168 10.1455 10.1464 10.3228 10.3236 19.8037 19.8047 20.9298 20.9324 22.0046 22.0066 22.5964 22.5964 k = 0.0000 0.2907 0.3488 ( 750 PWs) bands (ev): -6.9147 -6.9147 -3.4185 -3.4184 1.4093 1.4099 4.3423 4.3433 8.7290 8.7290 10.1104 10.1112 10.1369 10.1377 10.2976 10.2985 19.7374 19.7384 20.8977 20.9002 22.0118 22.0136 22.6276 22.6276 k = 0.0000 0.2828 0.3488 ( 750 PWs) bands (ev): -6.9872 -6.9872 -3.4757 -3.4756 1.5618 1.5623 4.4997 4.5007 8.6861 8.6861 10.1038 10.1046 10.1286 10.1295 10.2720 10.2729 19.6678 19.6687 20.8595 20.8618 22.0232 22.0249 22.6604 22.6604 k = 0.0000 0.2750 0.3488 ( 754 PWs) bands (ev): -7.0582 -7.0582 -3.5330 -3.5329 1.7178 1.7183 4.6571 4.6581 8.6436 8.6436 10.0963 10.0971 10.1204 10.1215 10.2462 10.2472 19.5948 19.5957 20.8153 20.8174 22.0384 22.0400 22.6945 22.6945 k = 0.0000 0.2671 0.3488 ( 756 PWs) bands (ev): -7.1277 -7.1277 -3.5901 -3.5900 1.8770 1.8775 4.8143 4.8153 8.6018 8.6018 10.0881 10.0889 10.1121 10.1133 10.2207 10.2217 19.5186 19.5195 20.7652 20.7671 22.0574 22.0589 22.7300 22.7300 k = 0.0000 0.2593 0.3488 ( 756 PWs) bands (ev): -7.1955 -7.1955 -3.6468 -3.6467 2.0390 2.0395 4.9708 4.9719 8.5606 8.5606 10.0792 10.0799 10.1028 10.1040 10.1965 10.1975 19.4392 19.4401 20.7096 20.7113 22.0799 22.0812 22.7665 22.7665 k = 0.0000 0.2514 0.3488 ( 752 PWs) bands (ev): -7.2616 -7.2616 -3.7029 -3.7029 2.2036 2.2041 5.1266 5.1277 8.5202 8.5202 10.0697 10.0703 10.0909 10.0921 10.1756 10.1765 19.3567 19.3576 20.6487 20.6503 22.1054 22.1065 22.8041 22.8041 k = 0.0000 0.2435 0.3488 ( 752 PWs) bands (ev): -7.3261 -7.3260 -3.7583 -3.7582 2.3704 2.3709 5.2813 5.2824 8.4804 8.4804 10.0595 10.0601 10.0742 10.0752 10.1603 10.1609 19.2710 19.2719 20.5830 20.5844 22.1335 22.1345 22.8423 22.8423 k = 0.0000 0.2357 0.3488 ( 752 PWs) bands (ev): -7.3887 -7.3887 -3.8127 -3.8127 2.5392 2.5397 5.4346 5.4356 8.4414 8.4414 10.0473 10.0481 10.0531 10.0534 10.1518 10.1519 19.1824 19.1833 20.5128 20.5141 22.1638 22.1647 22.8812 22.8812 k = 0.0000 0.2278 0.3488 ( 752 PWs) bands (ev): -7.4495 -7.4495 -3.8661 -3.8661 2.7098 2.7102 5.5861 5.5872 8.4033 8.4033 10.0224 10.0229 10.0391 10.0393 10.1489 10.1492 19.0907 19.0916 20.4386 20.4397 22.1962 22.1969 22.9206 22.9206 k = 0.0000 0.2200 0.3488 ( 754 PWs) bands (ev): -7.5086 -7.5086 -3.9184 -3.9184 2.8818 2.8822 5.7356 5.7366 8.3660 8.3660 9.9910 9.9912 10.0275 10.0277 10.1507 10.1513 18.9962 18.9971 20.3606 20.3616 22.2300 22.2306 22.9602 22.9602 k = 0.0000 0.2121 0.3488 ( 754 PWs) bands (ev): -7.5657 -7.5657 -3.9694 -3.9694 3.0551 3.0555 5.8826 5.8836 8.3297 8.3297 9.9567 9.9567 10.0158 10.0161 10.1563 10.1571 18.8990 18.8999 20.2794 20.2803 22.2652 22.2657 23.0000 23.0000 k = 0.0000 0.2043 0.3488 ( 750 PWs) bands (ev): -7.6209 -7.6209 -4.0190 -4.0190 3.2295 3.2299 6.0267 6.0278 8.2943 8.2944 9.9201 9.9202 10.0040 10.0042 10.1653 10.1664 18.7993 18.8002 20.1953 20.1961 22.3014 22.3019 23.0398 23.0398 k = 0.0000 0.1964 0.3488 ( 750 PWs) bands (ev): -7.6743 -7.6743 -4.0672 -4.0672 3.4047 3.4050 6.1677 6.1687 8.2600 8.2600 9.8815 9.8817 9.9921 9.9922 10.1778 10.1790 18.6972 18.6981 20.1087 20.1094 22.3383 22.3387 23.0794 23.0794 k = 0.0000 0.1885 0.3488 ( 750 PWs) bands (ev): -7.7256 -7.7256 -4.1139 -4.1139 3.5804 3.5808 6.3049 6.3060 8.2267 8.2267 9.8411 9.8414 9.9801 9.9802 10.1935 10.1948 18.5931 18.5939 20.0199 20.0206 22.3757 22.3760 23.1187 23.1187 k = 0.0000 0.1807 0.3488 ( 754 PWs) bands (ev): -7.7750 -7.7750 -4.1590 -4.1590 3.7565 3.7568 6.4381 6.4391 8.1945 8.1945 9.7989 9.7993 9.9680 9.9681 10.2127 10.2141 18.4871 18.4879 19.9294 19.9300 22.4133 22.4136 23.1575 23.1575 k = 0.0000 0.1728 0.3488 ( 754 PWs) bands (ev): -7.8225 -7.8225 -4.2025 -4.2025 3.9327 3.9330 6.5668 6.5678 8.1634 8.1634 9.7550 9.7554 9.9560 9.9561 10.2354 10.2369 18.3797 18.3805 19.8375 19.8380 22.4509 22.4511 23.1958 23.1958 k = 0.0000 0.1650 0.3488 ( 746 PWs) bands (ev): -7.8679 -7.8679 -4.2443 -4.2443 4.1088 4.1091 6.6906 6.6915 8.1336 8.1336 9.7093 9.7098 9.9442 9.9443 10.2618 10.2633 18.2712 18.2721 19.7446 19.7451 22.4886 22.4888 23.2333 23.2333 k = 0.0000 0.1571 0.3488 ( 746 PWs) bands (ev): -7.9113 -7.9113 -4.2844 -4.2844 4.2844 4.2846 6.8090 6.8099 8.1048 8.1049 9.6616 9.6622 9.9325 9.9326 10.2918 10.2933 18.1622 18.1630 19.6510 19.6514 22.5257 22.5258 23.2700 23.2700 k = 0.0000 0.1493 0.3488 ( 746 PWs) bands (ev): -7.9526 -7.9526 -4.3228 -4.3227 4.4593 4.4595 6.9217 6.9225 8.0773 8.0773 9.6120 9.6127 9.9211 9.9211 10.3254 10.3270 18.0530 18.0538 19.5571 19.5574 22.5622 22.5622 23.3056 23.3057 k = 0.0000 0.1414 0.3488 ( 742 PWs) bands (ev): -7.9919 -7.9919 -4.3593 -4.3593 4.6333 4.6335 7.0285 7.0293 8.0511 8.0511 9.5604 9.5611 9.9099 9.9099 10.3627 10.3643 17.9442 17.9450 19.4632 19.4636 22.5979 22.5979 23.3402 23.3402 k = 0.0000 0.1336 0.3488 ( 742 PWs) bands (ev): -8.0292 -8.0292 -4.3940 -4.3940 4.8059 4.8061 7.1288 7.1295 8.0261 8.0261 9.5068 9.5075 9.8990 9.8991 10.4034 10.4050 17.8363 17.8371 19.3699 19.3702 22.6327 22.6327 23.3735 23.3736 k = 0.0000 0.1257 0.3488 ( 742 PWs) bands (ev): -8.0643 -8.0643 -4.4269 -4.4269 4.9769 4.9771 7.2225 7.2232 8.0024 8.0024 9.4511 9.4518 9.8885 9.8885 10.4473 10.4489 17.7300 17.7308 19.2774 19.2777 22.6665 22.6665 23.3483 23.3486 k = 0.0000 0.1178 0.3488 ( 742 PWs) bands (ev): -8.0974 -8.0974 -4.4578 -4.4578 5.1459 5.1461 7.3096 7.3101 7.9800 7.9800 9.3932 9.3940 9.8784 9.8785 10.4941 10.4957 17.6259 17.6266 19.1863 19.1865 22.6990 22.6990 23.2951 23.2953 k = 0.0000 0.1100 0.3488 ( 742 PWs) bands (ev): -8.1284 -8.1284 -4.4869 -4.4869 5.3125 5.3126 7.3898 7.3902 7.9590 7.9590 9.3333 9.3341 9.8688 9.8688 10.5434 10.5449 17.5246 17.5253 19.0970 19.0972 22.7301 22.7302 23.2449 23.2451 k = 0.0000 0.1021 0.3488 ( 744 PWs) bands (ev): -8.1573 -8.1573 -4.5141 -4.5141 5.4763 5.4763 7.4631 7.4634 7.9393 7.9393 9.2713 9.2722 9.8597 9.8597 10.5946 10.5960 17.4266 17.4273 19.0099 19.0101 22.7597 22.7598 23.1978 23.1980 k = 0.0000 0.0943 0.3488 ( 744 PWs) bands (ev): -8.1841 -8.1841 -4.5393 -4.5393 5.6365 5.6366 7.5297 7.5298 7.9210 7.9210 9.2075 9.2084 9.8511 9.8511 10.6470 10.6484 17.3327 17.3334 18.9257 18.9258 22.7877 22.7879 23.1541 23.1542 k = 0.0000 0.0864 0.3488 ( 740 PWs) bands (ev): -8.2087 -8.2087 -4.5625 -4.5625 5.7929 5.7929 7.5896 7.5896 7.9042 7.9042 9.1420 9.1430 9.8431 9.8431 10.6999 10.7012 17.2436 17.2442 18.8449 18.8451 22.8140 22.8142 23.1136 23.1138 k = 0.0000 0.0786 0.3488 ( 740 PWs) bands (ev): -8.2313 -8.2313 -4.5838 -4.5837 5.9444 5.9444 7.6428 7.6430 7.8887 7.8887 9.0751 9.0761 9.8356 9.8357 10.7525 10.7537 17.1598 17.1604 18.7681 18.7683 22.8383 22.8386 23.0765 23.0768 k = 0.0000 0.0707 0.3488 ( 738 PWs) bands (ev): -8.2517 -8.2517 -4.6030 -4.6030 6.0903 6.0904 7.6897 7.6901 7.8747 7.8747 9.0073 9.0084 9.8288 9.8288 10.8039 10.8050 17.0819 17.0824 18.6960 18.6961 22.8607 22.8610 23.0429 23.0432 k = 0.0000 0.0628 0.3488 ( 736 PWs) bands (ev): -8.2699 -8.2699 -4.6203 -4.6203 6.2298 6.2299 7.7305 7.7309 7.8621 7.8621 8.9394 8.9405 9.8227 9.8227 10.8531 10.8541 17.0104 17.0109 18.6291 18.6292 22.8810 22.8814 23.0127 23.0131 k = 0.0000 0.0550 0.3488 ( 736 PWs) bands (ev): -8.2861 -8.2861 -4.6356 -4.6355 6.3612 6.3614 7.7653 7.7659 7.8510 7.8510 8.8722 8.8734 9.8172 9.8172 10.8993 10.9002 16.9460 16.9465 18.5682 18.5683 22.8989 22.8994 22.9861 22.9866 k = 0.0000 0.0471 0.3488 ( 736 PWs) bands (ev): -8.3001 -8.3001 -4.6488 -4.6488 6.4832 6.4834 7.7944 7.7951 7.8414 7.8414 8.8071 8.8082 9.8124 9.8124 10.9415 10.9423 16.8891 16.8895 18.5139 18.5140 22.9142 22.9150 22.9631 22.9639 k = 0.0000 0.0393 0.3488 ( 736 PWs) bands (ev): -8.3119 -8.3119 -4.6600 -4.6600 6.5939 6.5941 7.8178 7.8186 7.8335 7.8336 8.7457 8.7467 9.8083 9.8083 10.9789 10.9795 16.8402 16.8405 18.4667 18.4668 22.9254 22.9271 22.9449 22.9465 k = 0.0000 0.0314 0.3488 ( 736 PWs) bands (ev): -8.3216 -8.3216 -4.6692 -4.6692 6.6908 6.6910 7.8257 7.8257 7.8374 7.8383 8.6900 8.6910 9.8049 9.8049 11.0107 11.0112 16.7996 16.7999 18.4272 18.4273 22.9230 22.9244 22.9426 22.9439 k = 0.0000 0.0236 0.3488 ( 738 PWs) bands (ev): -8.3291 -8.3291 -4.6764 -4.6764 6.7710 6.7712 7.8209 7.8209 7.8508 7.8516 8.6426 8.6434 9.8023 9.8023 11.0361 11.0365 16.7677 16.7679 18.3960 18.3960 22.9124 22.9129 22.9502 22.9507 k = 0.0000 0.0157 0.3488 ( 738 PWs) bands (ev): -8.3345 -8.3345 -4.6815 -4.6815 6.8316 6.8317 7.8172 7.8172 7.8601 7.8607 8.6061 8.6067 9.8004 9.8004 11.0548 11.0551 16.7447 16.7449 18.3734 18.3734 22.9039 22.9042 22.9562 22.9564 k = 0.0000 0.0079 0.3488 ( 742 PWs) bands (ev): -8.3378 -8.3378 -4.6846 -4.6846 6.8694 6.8695 7.8149 7.8149 7.8654 7.8658 8.5831 8.5834 9.7992 9.7992 11.0662 11.0663 16.7309 16.7310 18.3597 18.3597 22.8987 22.8988 22.9597 22.9598 k = 0.0000 0.0000 0.3488 ( 738 PWs) bands (ev): -8.3388 -8.3388 -4.6856 -4.6856 6.8825 6.8825 7.8142 7.8142 7.8673 7.8673 8.5753 8.5753 9.7989 9.7989 11.0701 11.0701 16.7263 16.7263 18.3551 18.3551 22.8970 22.8970 22.9610 22.9610 k = 0.0000 0.4949-0.0000 ( 754 PWs) bands (ev): -5.6714 -5.6714 -4.1074 -4.1074 3.7603 3.7603 4.8261 4.8261 5.7063 5.7063 6.4626 6.4626 9.6106 9.6106 9.6992 9.6992 20.7402 20.7402 22.0283 22.0283 23.9231 23.9231 24.1531 24.1531 k = 0.0000 0.4949 0.0079 ( 754 PWs) bands (ev): -5.6709 -5.6709 -4.1065 -4.1065 3.7509 3.7509 4.8018 4.8018 5.7317 5.7317 6.4727 6.4727 9.6107 9.6107 9.6994 9.6994 20.7404 20.7404 22.0283 22.0283 23.9209 23.9209 24.1495 24.1495 k = 0.0000 0.4949 0.0159 ( 754 PWs) bands (ev): -5.6693 -5.6693 -4.1037 -4.1037 3.7229 3.7229 4.7359 4.7359 5.8007 5.8007 6.5028 6.5028 9.6113 9.6113 9.7000 9.7000 20.7410 20.7410 22.0280 22.0280 23.9141 23.9141 24.1386 24.1386 k = 0.0000 0.4949 0.0238 ( 758 PWs) bands (ev): -5.6668 -5.6668 -4.0992 -4.0992 3.6776 3.6776 4.6420 4.6420 5.8997 5.8997 6.5516 6.5516 9.6122 9.6122 9.7010 9.7010 20.7420 20.7420 22.0275 22.0275 23.9030 23.9030 24.1205 24.1205 k = 0.0000 0.4949 0.0317 ( 758 PWs) bands (ev): -5.6632 -5.6632 -4.0928 -4.0928 3.6169 3.6169 4.5317 4.5317 6.0173 6.0173 6.6172 6.6172 9.6134 9.6134 9.7024 9.7024 20.7434 20.7434 22.0268 22.0268 23.8876 23.8876 24.0957 24.0957 k = 0.0000 0.4949 0.0396 ( 758 PWs) bands (ev): -5.6586 -5.6586 -4.0846 -4.0846 3.5428 3.5428 4.4122 4.4122 6.1463 6.1463 6.6976 6.6976 9.6150 9.6150 9.7041 9.7041 20.7451 20.7451 22.0257 22.0257 23.8680 23.8680 24.0646 24.0646 k = 0.0000 0.4949 0.0476 ( 758 PWs) bands (ev): -5.6530 -5.6530 -4.0747 -4.0747 3.4574 3.4574 4.2875 4.2875 6.2825 6.2825 6.7906 6.7906 9.6170 9.6170 9.7063 9.7063 20.7471 20.7471 22.0242 22.0242 23.8444 23.8444 24.0276 24.0276 k = 0.0000 0.4949 0.0555 ( 758 PWs) bands (ev): -5.6465 -5.6465 -4.0629 -4.0629 3.3627 3.3627 4.1600 4.1600 6.4233 6.4233 6.8942 6.8942 9.6192 9.6192 9.7088 9.7088 20.7495 20.7495 22.0221 22.0221 23.8169 23.8169 23.9854 23.9854 k = 0.0000 0.4949 0.0634 ( 758 PWs) bands (ev): -5.6390 -5.6390 -4.0494 -4.0494 3.2606 3.2606 4.0314 4.0314 6.5672 6.5672 7.0065 7.0065 9.6218 9.6218 9.7116 9.7116 20.7520 20.7520 22.0194 22.0194 23.7859 23.7859 23.9386 23.9386 k = 0.0000 0.4949 0.0713 ( 758 PWs) bands (ev): -5.6306 -5.6306 -4.0341 -4.0341 3.1525 3.1525 3.9026 3.9026 6.7133 6.7133 7.1258 7.1258 9.6247 9.6247 9.7148 9.7148 20.7547 20.7547 22.0157 22.0157 23.7516 23.7516 23.8878 23.8878 k = 0.0000 0.4949 0.0793 ( 762 PWs) bands (ev): -5.6213 -5.6213 -4.0172 -4.0172 3.0399 3.0399 3.7742 3.7742 6.8607 6.8607 7.2510 7.2510 9.6279 9.6279 9.7183 9.7183 20.7573 20.7573 22.0109 22.0109 23.7142 23.7142 23.8337 23.8337 k = 0.0000 0.4949 0.0872 ( 760 PWs) bands (ev): -5.6111 -5.6111 -3.9985 -3.9985 2.9237 2.9237 3.6469 3.6469 7.0090 7.0090 7.3807 7.3807 9.6314 9.6314 9.7221 9.7221 20.7600 20.7600 22.0049 22.0049 23.6740 23.6740 23.7772 23.7772 k = 0.0000 0.4949 0.0951 ( 760 PWs) bands (ev): -5.6001 -5.6001 -3.9782 -3.9782 2.8050 2.8050 3.5209 3.5209 7.1577 7.1577 7.5140 7.5140 9.6351 9.6351 9.7262 9.7262 20.7627 20.7627 21.9973 21.9973 23.6314 23.6314 23.7190 23.7190 k = 0.0000 0.4949 0.1031 ( 760 PWs) bands (ev): -5.5883 -5.5883 -3.9563 -3.9563 2.6844 2.6844 3.3965 3.3965 7.3064 7.3064 7.6500 7.6500 9.6391 9.6391 9.7306 9.7306 20.7652 20.7652 21.9878 21.9878 23.5865 23.5865 23.6599 23.6599 k = 0.0000 0.4949 0.1110 ( 758 PWs) bands (ev): -5.5758 -5.5758 -3.9327 -3.9327 2.5627 2.5627 3.2741 3.2741 7.4548 7.4548 7.7880 7.7880 9.6433 9.6433 9.7352 9.7352 20.7674 20.7674 21.9761 21.9761 23.5398 23.5398 23.6006 23.6006 k = 0.0000 0.4949 0.1189 ( 764 PWs) bands (ev): -5.5626 -5.5626 -3.9077 -3.9077 2.4403 2.4403 3.1536 3.1536 7.6025 7.6025 7.9274 7.9274 9.6476 9.6476 9.7401 9.7401 20.7691 20.7691 21.9617 21.9617 23.4914 23.4914 23.5419 23.5419 k = 0.0000 0.4949 0.1268 ( 764 PWs) bands (ev): -5.5487 -5.5487 -3.8811 -3.8811 2.3179 2.3179 3.0355 3.0355 7.7494 7.7494 8.0675 8.0675 9.6522 9.6522 9.7451 9.7451 20.7703 20.7703 21.9445 21.9445 23.4418 23.4418 23.4845 23.4845 k = 0.0000 0.4949 0.1348 ( 764 PWs) bands (ev): -5.5343 -5.5343 -3.8531 -3.8531 2.1957 2.1957 2.9199 2.9199 7.8952 7.8952 8.2079 8.2079 9.6570 9.6570 9.7504 9.7504 20.7708 20.7708 21.9241 21.9241 23.3913 23.3913 23.4293 23.4293 k = 0.0000 0.4949 0.1427 ( 760 PWs) bands (ev): -5.5193 -5.5193 -3.8238 -3.8238 2.0742 2.0742 2.8068 2.8068 8.0396 8.0396 8.3482 8.3482 9.6619 9.6619 9.7558 9.7558 20.7705 20.7705 21.9001 21.9001 23.3400 23.3400 23.3768 23.3768 k = 0.0000 0.4949 0.1506 ( 758 PWs) bands (ev): -5.5039 -5.5039 -3.7931 -3.7931 1.9536 1.9536 2.6965 2.6965 8.1823 8.1823 8.4877 8.4877 9.6669 9.6669 9.7613 9.7613 20.7692 20.7692 21.8724 21.8724 23.2883 23.2883 23.3277 23.3277 k = 0.0000 0.4949 0.1585 ( 754 PWs) bands (ev): -5.4881 -5.4881 -3.7612 -3.7612 1.8343 1.8343 2.5892 2.5892 8.3230 8.3230 8.6262 8.6262 9.6721 9.6721 9.7669 9.7669 20.7668 20.7668 21.8406 21.8406 23.2366 23.2366 23.2824 23.2824 k = 0.0000 0.4949 0.1665 ( 752 PWs) bands (ev): -5.4719 -5.4719 -3.7282 -3.7282 1.7165 1.7165 2.4848 2.4848 8.4615 8.4615 8.7632 8.7632 9.6773 9.6773 9.7726 9.7726 20.7632 20.7632 21.8049 21.8049 23.1850 23.1850 23.2414 23.2414 k = 0.0000 0.4949 0.1744 ( 752 PWs) bands (ev): -5.4555 -5.4555 -3.6942 -3.6942 1.6006 1.6006 2.3836 2.3836 8.5975 8.5975 8.8983 8.8983 9.6825 9.6825 9.7784 9.7784 20.7582 20.7582 21.7652 21.7652 23.1337 23.1337 23.1705 23.1705 k = 0.0000 0.4949 0.1823 ( 752 PWs) bands (ev): -5.4390 -5.4390 -3.6592 -3.6592 1.4866 1.4866 2.2857 2.2857 8.7306 8.7306 9.0312 9.0312 9.6877 9.6877 9.7841 9.7841 20.7516 20.7516 21.7218 21.7218 23.0830 23.0830 23.0947 23.0947 k = 0.0000 0.4949 0.1903 ( 752 PWs) bands (ev): -5.4223 -5.4223 -3.6234 -3.6234 1.3750 1.3750 2.1912 2.1912 8.8607 8.8607 9.1614 9.1614 9.6929 9.6929 9.7899 9.7899 20.7435 20.7435 21.6751 21.6751 23.0220 23.0220 23.0333 23.0333 k = 0.0000 0.4949 0.1982 ( 748 PWs) bands (ev): -5.4056 -5.4056 -3.5870 -3.5870 1.2659 1.2659 2.1003 2.1003 8.9875 8.9875 9.2887 9.2887 9.6981 9.6981 9.7956 9.7956 20.7338 20.7338 21.6255 21.6255 22.9529 22.9529 22.9846 22.9846 k = 0.0000 0.4949 0.2061 ( 752 PWs) bands (ev): -5.3890 -5.3890 -3.5501 -3.5501 1.1596 1.1596 2.0131 2.0131 9.1105 9.1105 9.4126 9.4126 9.7031 9.7031 9.8012 9.8012 20.7222 20.7222 21.5734 21.5734 22.8874 22.8874 22.9371 22.9371 k = 0.0000 0.4949 0.2140 ( 752 PWs) bands (ev): -5.3726 -5.3726 -3.5128 -3.5128 1.0563 1.0563 1.9296 1.9296 9.2295 9.2295 9.5327 9.5327 9.7081 9.7081 9.8067 9.8067 20.7089 20.7089 21.5196 21.5196 22.8260 22.8260 22.8911 22.8911 k = 0.0000 0.4949 0.2220 ( 748 PWs) bands (ev): -5.3565 -5.3565 -3.4753 -3.4753 0.9563 0.9563 1.8501 1.8501 9.3441 9.3441 9.6486 9.6486 9.7131 9.7131 9.8121 9.8121 20.6941 20.6941 21.4647 21.4647 22.7687 22.7687 22.8469 22.8469 k = 0.0000 0.4949 0.2299 ( 756 PWs) bands (ev): -5.3407 -5.3407 -3.4379 -3.4379 0.8598 0.8598 1.7745 1.7745 9.4540 9.4540 9.7175 9.7175 9.7603 9.7603 9.8174 9.8174 20.6776 20.6776 21.4091 21.4091 22.7156 22.7156 22.8044 22.8044 k = 0.0000 0.4949 0.2378 ( 756 PWs) bands (ev): -5.3253 -5.3253 -3.4007 -3.4007 0.7672 0.7672 1.7033 1.7033 9.5590 9.5590 9.7222 9.7222 9.8221 9.8221 9.8671 9.8671 20.6597 20.6597 21.3538 21.3538 22.6669 22.6669 22.7640 22.7640 k = 0.0000 0.4949 0.2457 ( 756 PWs) bands (ev): -5.3105 -5.3105 -3.3641 -3.3641 0.6787 0.6787 1.6363 1.6363 9.6584 9.6584 9.7267 9.7267 9.8270 9.8270 9.9684 9.9684 20.6408 20.6408 21.2993 21.2993 22.6225 22.6225 22.7257 22.7257 k = 0.0000 0.4949 0.2537 ( 756 PWs) bands (ev): -5.2963 -5.2963 -3.3282 -3.3282 0.5947 0.5947 1.5737 1.5737 9.7297 9.7297 9.7536 9.7536 9.8317 9.8317 10.0641 10.0641 20.6209 20.6209 21.2463 21.2463 22.5825 22.5825 22.6898 22.6898 k = 0.0000 0.4949 0.2616 ( 756 PWs) bands (ev): -5.2829 -5.2829 -3.2934 -3.2934 0.5154 0.5154 1.5157 1.5157 9.7343 9.7343 9.8352 9.8352 9.8417 9.8417 10.1538 10.1538 20.6006 20.6006 21.1952 21.1952 22.5466 22.5466 22.6562 22.6562 k = 0.0000 0.4949 0.2695 ( 756 PWs) bands (ev): -5.2703 -5.2703 -3.2599 -3.2599 0.4413 0.4413 1.4623 1.4623 9.7380 9.7380 9.8399 9.8399 9.9226 9.9226 10.2372 10.2372 20.5801 20.5801 21.1467 21.1467 22.5149 22.5149 22.6252 22.6252 k = 0.0000 0.4949 0.2775 ( 756 PWs) bands (ev): -5.2585 -5.2585 -3.2281 -3.2281 0.3727 0.3727 1.4136 1.4136 9.7414 9.7414 9.8436 9.8436 9.9975 9.9975 10.3139 10.3139 20.5599 20.5599 21.1012 21.1012 22.4870 22.4870 22.5968 22.5968 k = 0.0000 0.4949 0.2854 ( 752 PWs) bands (ev): -5.2478 -5.2478 -3.1984 -3.1984 0.3099 0.3099 1.3698 1.3698 9.7445 9.7445 9.8471 9.8471 10.0656 10.0656 10.3836 10.3836 20.5404 20.5404 21.0592 21.0592 22.4628 22.4628 22.5712 22.5712 k = 0.0000 0.4949 0.2933 ( 752 PWs) bands (ev): -5.2381 -5.2381 -3.1711 -3.1711 0.2533 0.2533 1.3308 1.3308 9.7473 9.7473 9.8501 9.8501 10.1264 10.1264 10.4458 10.4458 20.5219 20.5219 21.0211 21.0211 22.4421 22.4421 22.5484 22.5484 k = 0.0000 0.4949 0.3012 ( 752 PWs) bands (ev): -5.2296 -5.2296 -3.1465 -3.1465 0.2033 0.2033 1.2970 1.2970 9.7497 9.7497 9.8527 9.8527 10.1796 10.1796 10.5005 10.5005 20.5050 20.5050 20.9873 20.9873 22.4246 22.4246 22.5284 22.5284 k = 0.0000 0.4949 0.3092 ( 752 PWs) bands (ev): -5.2222 -5.2222 -3.1250 -3.1250 0.1603 0.1603 1.2681 1.2681 9.7517 9.7517 9.8550 9.8550 10.2252 10.2252 10.5472 10.5472 20.4900 20.4900 20.9581 20.9581 22.4102 22.4102 22.5114 22.5114 k = 0.0000 0.4949 0.3171 ( 752 PWs) bands (ev): -5.2162 -5.2162 -3.1069 -3.1069 0.1246 0.1246 1.2445 1.2445 9.7534 9.7534 9.8569 9.8569 10.2628 10.2628 10.5857 10.5857 20.4772 20.4772 20.9338 20.9338 22.3987 22.3987 22.4975 22.4975 k = 0.0000 0.4949 0.3250 ( 752 PWs) bands (ev): -5.2114 -5.2114 -3.0925 -3.0925 0.0965 0.0965 1.2260 1.2260 9.7548 9.7548 9.8584 9.8584 10.2922 10.2922 10.6159 10.6159 20.4669 20.4669 20.9147 20.9147 22.3899 22.3899 22.4866 22.4866 k = 0.0000 0.4949 0.3330 ( 752 PWs) bands (ev): -5.2079 -5.2079 -3.0820 -3.0820 0.0762 0.0762 1.2128 1.2128 9.7557 9.7557 9.8594 9.8594 10.3133 10.3133 10.6376 10.6376 20.4594 20.4594 20.9009 20.9009 22.3838 22.3838 22.4788 22.4788 k = 0.0000 0.4949 0.3409 ( 756 PWs) bands (ev): -5.2059 -5.2059 -3.0756 -3.0756 0.0640 0.0640 1.2048 1.2048 9.7563 9.7563 9.8601 9.8601 10.3259 10.3259 10.6506 10.6506 20.4546 20.4546 20.8924 20.8924 22.3801 22.3801 22.4741 22.4741 k = 0.0000 0.4949 0.3488 ( 752 PWs) bands (ev): -5.2052 -5.2052 -3.0735 -3.0735 0.0599 0.0599 1.2022 1.2022 9.7566 9.7566 9.8603 9.8603 10.3302 10.3302 10.6551 10.6551 20.4532 20.4532 20.8896 20.8896 22.3789 22.3789 22.4725 22.4725 k = 0.5000-0.0000 0.3488 ( 760 PWs) bands (ev): -6.0434 -6.0434 -0.8680 -0.8680 -0.6014 -0.6014 1.2801 1.2801 7.8607 7.8607 9.0647 9.0647 10.7073 10.7073 13.1374 13.1374 17.6208 17.6208 19.5687 19.5687 21.4358 21.4358 22.9697 22.9697 k = 0.5000-0.0000 0.3409 ( 760 PWs) bands (ev): -6.0443 -6.0443 -0.8712 -0.8712 -0.5986 -0.5986 1.2852 1.2852 7.8604 7.8604 9.0605 9.0605 10.7042 10.7042 13.1370 13.1370 17.6226 17.6226 19.5697 19.5697 21.4369 21.4369 22.9681 22.9681 k = 0.5000-0.0000 0.3330 ( 764 PWs) bands (ev): -6.0471 -6.0471 -0.8807 -0.8807 -0.5901 -0.5901 1.3004 1.3004 7.8597 7.8597 9.0477 9.0477 10.6948 10.6948 13.1358 13.1358 17.6279 17.6279 19.5731 19.5731 21.4400 21.4400 22.9631 22.9631 k = 0.5000-0.0000 0.3250 ( 760 PWs) bands (ev): -6.0517 -6.0517 -0.8962 -0.8962 -0.5759 -0.5759 1.3254 1.3254 7.8588 7.8588 9.0266 9.0266 10.6792 10.6792 13.1339 13.1339 17.6367 17.6367 19.5788 19.5788 21.4452 21.4452 22.9548 22.9548 k = 0.5000-0.0000 0.3171 ( 760 PWs) bands (ev): -6.0581 -6.0581 -0.9173 -0.9173 -0.5562 -0.5562 1.3599 1.3599 7.8574 7.8574 8.9970 8.9970 10.6573 10.6573 13.1312 13.1312 17.6489 17.6489 19.5867 19.5867 21.4525 21.4525 22.9434 22.9434 k = 0.5000-0.0000 0.3092 ( 760 PWs) bands (ev): -6.0662 -6.0662 -0.9435 -0.9435 -0.5310 -0.5310 1.4031 1.4031 7.8558 7.8558 8.9593 8.9593 10.6294 10.6294 13.1278 13.1278 17.6642 17.6642 19.5967 19.5967 21.4621 21.4621 22.9289 22.9289 k = 0.5000-0.0000 0.3012 ( 760 PWs) bands (ev): -6.0760 -6.0760 -0.9740 -0.9740 -0.5003 -0.5003 1.4545 1.4545 7.8537 7.8537 8.9137 8.9137 10.5954 10.5954 13.1237 13.1237 17.6825 17.6825 19.6090 19.6090 21.4740 21.4740 22.9115 22.9115 k = 0.5000-0.0000 0.2933 ( 760 PWs) bands (ev): -6.0873 -6.0873 -1.0083 -1.0083 -0.4643 -0.4643 1.5135 1.5135 7.8514 7.8514 8.8603 8.8603 10.5555 10.5555 13.1189 13.1189 17.7034 17.7034 19.6233 19.6233 21.4883 21.4883 22.8915 22.8915 k = 0.5000-0.0000 0.2854 ( 760 PWs) bands (ev): -6.1001 -6.1001 -1.0458 -1.0458 -0.4231 -0.4231 1.5794 1.5794 7.8487 7.8487 8.7995 8.7995 10.5097 10.5097 13.1134 13.1134 17.7267 17.7267 19.6397 19.6397 21.5051 21.5051 22.8690 22.8690 k = 0.5000-0.0000 0.2775 ( 760 PWs) bands (ev): -6.1143 -6.1143 -1.0858 -1.0858 -0.3768 -0.3768 1.6516 1.6516 7.8456 7.8456 8.7315 8.7315 10.4582 10.4582 13.1073 13.1073 17.7520 17.7520 19.6581 19.6581 21.5247 21.5247 22.8443 22.8443 k = 0.5000-0.0000 0.2695 ( 756 PWs) bands (ev): -6.1298 -6.1298 -1.1278 -1.1278 -0.3255 -0.3255 1.7295 1.7295 7.8425 7.8425 8.6567 8.6567 10.4010 10.4010 13.1007 13.1007 17.7791 17.7791 19.6785 19.6785 21.5471 21.5471 22.8176 22.8176 k = 0.5000-0.0000 0.2616 ( 756 PWs) bands (ev): -6.1463 -6.1463 -1.1713 -1.1713 -0.2694 -0.2694 1.8126 1.8126 7.8389 7.8389 8.5754 8.5754 10.3385 10.3385 13.0935 13.0935 17.8074 17.8074 19.7006 19.7006 21.5724 21.5724 22.7892 22.7892 k = 0.5000-0.0000 0.2537 ( 756 PWs) bands (ev): -6.1639 -6.1639 -1.2158 -1.2158 -0.2087 -0.2087 1.9004 1.9004 7.8351 7.8351 8.4880 8.4880 10.2706 10.2706 13.0857 13.0857 17.8368 17.8368 19.7245 19.7245 21.6009 21.6009 22.7594 22.7594 k = 0.5000-0.0000 0.2457 ( 756 PWs) bands (ev): -6.1824 -6.1824 -1.2610 -1.2610 -0.1434 -0.1434 1.9925 1.9925 7.8310 7.8310 8.3947 8.3947 10.1977 10.1977 13.0775 13.0775 17.8667 17.8667 19.7500 19.7500 21.6325 21.6325 22.7283 22.7283 k = 0.5000-0.0000 0.2378 ( 756 PWs) bands (ev): -6.2017 -6.2017 -1.3065 -1.3065 -0.0738 -0.0738 2.0886 2.0886 7.8267 7.8267 8.2960 8.2960 10.1197 10.1197 13.0689 13.0689 17.8970 17.8970 19.7771 19.7771 21.6675 21.6675 22.6963 22.6963 k = 0.5000-0.0000 0.2299 ( 760 PWs) bands (ev): -6.2215 -6.2215 -1.3520 -1.3520 -0.0001 -0.0001 2.1882 2.1882 7.8221 7.8221 8.1923 8.1923 10.0371 10.0371 13.0599 13.0599 17.9272 17.9272 19.8054 19.8054 21.7059 21.7059 22.6635 22.6635 k = 0.5000-0.0000 0.2220 ( 756 PWs) bands (ev): -6.2419 -6.2419 -1.3973 -1.3973 0.0777 0.0777 2.2911 2.2911 7.8174 7.8174 8.0839 8.0839 9.9499 9.9499 13.0506 13.0506 17.9571 17.9571 19.8352 19.8352 21.7479 21.7479 22.6302 22.6302 k = 0.5000-0.0000 0.2140 ( 756 PWs) bands (ev): -6.2627 -6.2627 -1.4421 -1.4421 0.1592 0.1592 2.3971 2.3971 7.8126 7.8126 7.9712 7.9712 9.8583 9.8583 13.0410 13.0410 17.9864 17.9864 19.8661 19.8661 21.7934 21.7934 22.5966 22.5966 k = 0.5000-0.0000 0.2061 ( 760 PWs) bands (ev): -6.2837 -6.2837 -1.4862 -1.4862 0.2444 0.2444 2.5058 2.5058 7.8073 7.8073 7.8548 7.8548 9.7626 9.7626 13.0312 13.0312 18.0147 18.0147 19.8979 19.8979 21.8425 21.8425 22.5630 22.5630 k = 0.5000-0.0000 0.1982 ( 756 PWs) bands (ev): -6.3048 -6.3048 -1.5295 -1.5295 0.3330 0.3330 2.6171 2.6171 7.7337 7.7337 7.8031 7.8031 9.6631 9.6631 13.0213 13.0213 18.0422 18.0422 19.9309 19.9309 21.8951 21.8951 22.5295 22.5295 k = 0.5000-0.0000 0.1903 ( 756 PWs) bands (ev): -6.3260 -6.3260 -1.5718 -1.5718 0.4249 0.4249 2.7308 2.7308 7.6103 7.6103 7.7978 7.7978 9.5598 9.5598 13.0112 13.0112 18.0683 18.0683 19.9644 19.9644 21.9512 21.9512 22.4962 22.4962 k = 0.5000-0.0000 0.1823 ( 756 PWs) bands (ev): -6.3471 -6.3471 -1.6130 -1.6130 0.5198 0.5198 2.8466 2.8466 7.4839 7.4839 7.7926 7.7926 9.4531 9.4531 13.0011 13.0011 18.0930 18.0930 19.9985 19.9985 22.0108 22.0108 22.4634 22.4634 k = 0.5000-0.0000 0.1744 ( 756 PWs) bands (ev): -6.3680 -6.3680 -1.6530 -1.6530 0.6175 0.6175 2.9643 2.9643 7.3549 7.3549 7.7875 7.7875 9.3432 9.3432 12.9910 12.9910 18.1163 18.1163 20.0330 20.0330 22.0736 22.0736 22.4312 22.4312 k = 0.5000-0.0000 0.1665 ( 760 PWs) bands (ev): -6.3886 -6.3886 -1.6916 -1.6916 0.7179 0.7179 3.0839 3.0839 7.2237 7.2237 7.7823 7.7823 9.2302 9.2302 12.9809 12.9809 18.1379 18.1379 20.0678 20.0678 22.1396 22.1396 22.3998 22.3998 k = 0.5000-0.0000 0.1585 ( 760 PWs) bands (ev): -6.4089 -6.4089 -1.7288 -1.7288 0.8207 0.8207 3.2051 3.2051 7.0906 7.0906 7.7772 7.7772 9.1146 9.1146 12.9710 12.9710 18.1580 18.1580 20.1026 20.1026 22.2083 22.2083 22.3691 22.3691 k = 0.5000-0.0000 0.1506 ( 760 PWs) bands (ev): -6.4287 -6.4287 -1.7646 -1.7646 0.9257 0.9257 3.3277 3.3277 6.9561 6.9561 7.7721 7.7721 8.9966 8.9966 12.9611 12.9611 18.1765 18.1765 20.1373 20.1373 22.2796 22.2796 22.3395 22.3395 k = 0.5000-0.0000 0.1427 ( 760 PWs) bands (ev): -6.4479 -6.4479 -1.7988 -1.7988 1.0326 1.0326 3.4515 3.4515 6.8205 6.8205 7.7672 7.7672 8.8764 8.8764 12.9515 12.9515 18.1935 18.1935 20.1719 20.1719 22.3107 22.3107 22.3535 22.3535 k = 0.5000-0.0000 0.1348 ( 762 PWs) bands (ev): -6.4665 -6.4665 -1.8314 -1.8314 1.1412 1.1412 3.5763 3.5763 6.6841 6.6841 7.7624 7.7624 8.7544 8.7544 12.9421 12.9421 18.2088 18.2088 20.2058 20.2058 22.2833 22.2833 22.4290 22.4290 k = 0.5000-0.0000 0.1268 ( 758 PWs) bands (ev): -6.4844 -6.4844 -1.8624 -1.8624 1.2511 1.2511 3.7021 3.7021 6.5476 6.5476 7.7577 7.7577 8.6309 8.6309 12.9331 12.9331 18.2227 18.2227 20.2391 20.2391 22.2571 22.2571 22.5061 22.5061 k = 0.5000-0.0000 0.1189 ( 756 PWs) bands (ev): -6.5015 -6.5015 -1.8916 -1.8916 1.3621 1.3621 3.8283 3.8283 6.4111 6.4111 7.7532 7.7532 8.5061 8.5061 12.9243 12.9243 18.2351 18.2351 20.2716 20.2716 22.2322 22.2322 22.5844 22.5844 k = 0.5000-0.0000 0.1110 ( 756 PWs) bands (ev): -6.5178 -6.5178 -1.9192 -1.9192 1.4736 1.4736 3.9548 3.9548 6.2753 6.2753 7.7488 7.7488 8.3805 8.3805 12.9159 12.9159 18.2461 18.2461 20.3030 20.3030 22.2087 22.2087 22.6632 22.6632 k = 0.5000-0.0000 0.1031 ( 756 PWs) bands (ev): -6.5332 -6.5332 -1.9449 -1.9449 1.5854 1.5854 4.0812 4.0812 6.1406 6.1406 7.7447 7.7447 8.2545 8.2545 12.9079 12.9079 18.2559 18.2559 20.3331 20.3331 22.1865 22.1865 22.7420 22.7420 k = 0.5000-0.0000 0.0951 ( 756 PWs) bands (ev): -6.5477 -6.5477 -1.9689 -1.9689 1.6968 1.6968 4.2071 4.2071 6.0076 6.0076 7.7407 7.7407 8.1286 8.1286 12.9003 12.9003 18.2645 18.2645 20.3619 20.3619 22.1659 22.1659 22.8202 22.8202 k = 0.5000-0.0000 0.0872 ( 756 PWs) bands (ev): -6.5612 -6.5612 -1.9910 -1.9910 1.8073 1.8073 4.3321 4.3321 5.8770 5.8770 7.7370 7.7370 8.0033 8.0033 12.8933 12.8933 18.2720 18.2720 20.3891 20.3891 22.1467 22.1467 22.8971 22.8971 k = 0.5000-0.0000 0.0793 ( 758 PWs) bands (ev): -6.5736 -6.5736 -2.0113 -2.0113 1.9162 1.9162 4.4556 4.4556 5.7497 5.7497 7.7336 7.7336 7.8793 7.8793 12.8867 12.8867 18.2785 18.2785 20.4146 20.4146 22.1291 22.1291 22.9720 22.9720 k = 0.5000-0.0000 0.0713 ( 760 PWs) bands (ev): -6.5850 -6.5850 -2.0297 -2.0297 2.0225 2.0225 4.5768 4.5768 5.6264 5.6264 7.7303 7.7303 7.7575 7.7575 12.8807 12.8807 18.2841 18.2841 20.4382 20.4382 22.1131 22.1131 23.0440 23.0440 k = 0.5000-0.0000 0.0634 ( 758 PWs) bands (ev): -6.5953 -6.5953 -2.0462 -2.0462 2.1252 2.1252 4.6948 4.6948 5.5084 5.5084 7.6384 7.6384 7.7277 7.7277 12.8752 12.8752 18.2889 18.2889 20.4598 20.4598 22.0987 22.0987 23.1123 23.1123 k = 0.5000-0.0000 0.0555 ( 758 PWs) bands (ev): -6.6044 -6.6044 -2.0608 -2.0608 2.2230 2.2230 4.8085 4.8085 5.3970 5.3970 7.5240 7.5240 7.7251 7.7251 12.8703 12.8703 18.2929 18.2929 20.4792 20.4792 22.0860 22.0860 23.1759 23.1759 k = 0.5000-0.0000 0.0476 ( 758 PWs) bands (ev): -6.6124 -6.6124 -2.0735 -2.0735 2.3144 2.3144 4.9161 4.9161 5.2937 5.2937 7.4155 7.4155 7.7229 7.7229 12.8661 12.8661 18.2962 18.2962 20.4962 20.4962 22.0749 22.0749 23.2339 23.2339 k = 0.5000-0.0000 0.0396 ( 758 PWs) bands (ev): -6.6191 -6.6191 -2.0842 -2.0842 2.3976 2.3976 5.0156 5.0156 5.2005 5.2005 7.3152 7.3152 7.7209 7.7209 12.8624 12.8624 18.2989 18.2989 20.5109 20.5109 22.0655 22.0655 23.2852 23.2852 k = 0.5000-0.0000 0.0317 ( 758 PWs) bands (ev): -6.6247 -6.6247 -2.0930 -2.0930 2.4703 2.4703 5.1042 5.1042 5.1198 5.1198 7.2256 7.2256 7.7194 7.7194 12.8594 12.8594 18.3011 18.3011 20.5230 20.5230 22.0578 22.0578 23.3288 23.3288 k = 0.5000-0.0000 0.0238 ( 758 PWs) bands (ev): -6.6291 -6.6291 -2.0999 -2.0999 2.5304 2.5304 5.0528 5.0528 5.1795 5.1795 7.1500 7.1500 7.7181 7.7181 12.8571 12.8571 18.3027 18.3027 20.5325 20.5325 22.0517 22.0517 23.3639 23.3639 k = 0.5000-0.0000 0.0159 ( 762 PWs) bands (ev): -6.6322 -6.6322 -2.1048 -2.1048 2.5754 2.5754 5.0031 5.0031 5.2370 5.2370 7.0921 7.0921 7.7172 7.7172 12.8554 12.8554 18.3037 18.3037 20.5393 20.5393 22.0474 22.0474 23.3896 23.3896 k = 0.5000-0.0000 0.0079 ( 758 PWs) bands (ev): -6.6341 -6.6341 -2.1078 -2.1078 2.6035 2.6035 4.9724 4.9724 5.2733 5.2733 7.0555 7.0555 7.7167 7.7167 12.8544 12.8544 18.3045 18.3045 20.5434 20.5434 22.0448 22.0448 23.4054 23.4054 k = 0.5000-0.0000-0.0000 ( 758 PWs) bands (ev): -6.6347 -6.6347 -2.1087 -2.1087 2.6130 2.6130 4.9620 4.9620 5.2858 5.2858 7.0429 7.0429 7.7165 7.7165 12.8540 12.8540 18.3047 18.3047 20.5448 20.5448 22.0440 22.0440 23.4107 23.4107 k = 0.5000 0.4949-0.0000 ( 776 PWs) bands (ev): -3.8053 -3.8053 -0.6164 -0.6164 0.9940 0.9940 3.3126 3.3126 5.6900 5.6900 5.7121 5.7121 8.0826 8.0826 8.1970 8.1970 15.6108 15.6108 17.7175 17.7175 18.5443 18.5443 21.3405 21.3405 k = 0.5000 0.4949 0.0079 ( 776 PWs) bands (ev): -3.8049 -3.8049 -0.6158 -0.6158 0.9947 0.9947 3.3134 3.3134 5.6878 5.6878 5.7098 5.7098 8.0798 8.0798 8.1949 8.1949 15.6156 15.6156 17.7217 17.7217 18.5494 18.5494 21.3446 21.3446 k = 0.5000 0.4949 0.0159 ( 772 PWs) bands (ev): -3.8038 -3.8038 -0.6138 -0.6138 0.9968 0.9968 3.3158 3.3158 5.6814 5.6814 5.7030 5.7030 8.0715 8.0715 8.1888 8.1888 15.6298 15.6298 17.7344 17.7344 18.5650 18.5650 21.3570 21.3570 k = 0.5000 0.4949 0.0238 ( 772 PWs) bands (ev): -3.8020 -3.8020 -0.6106 -0.6106 1.0002 1.0002 3.3197 3.3197 5.6708 5.6708 5.6916 5.6916 8.0576 8.0576 8.1787 8.1787 15.6534 15.6534 17.7556 17.7556 18.5908 18.5908 21.3777 21.3777 k = 0.5000 0.4949 0.0317 ( 772 PWs) bands (ev): -3.7994 -3.7994 -0.6061 -0.6061 1.0050 1.0050 3.3251 3.3251 5.6561 5.6561 5.6759 5.6759 8.0383 8.0383 8.1645 8.1645 15.6862 15.6862 17.7850 17.7850 18.6269 18.6269 21.4065 21.4065 k = 0.5000 0.4949 0.0396 ( 768 PWs) bands (ev): -3.7962 -3.7962 -0.6004 -0.6004 1.0111 1.0111 3.3321 3.3321 5.6373 5.6373 5.6559 5.6559 8.0138 8.0138 8.1465 8.1465 15.7283 15.7283 17.8228 17.8228 18.6729 18.6729 21.4434 21.4434 k = 0.5000 0.4949 0.0476 ( 768 PWs) bands (ev): -3.7922 -3.7922 -0.5934 -0.5934 1.0185 1.0185 3.3406 3.3406 5.6145 5.6145 5.6318 5.6318 7.9843 7.9843 8.1246 8.1246 15.7793 15.7793 17.8686 17.8686 18.7288 18.7288 21.4883 21.4883 k = 0.5000 0.4949 0.0555 ( 764 PWs) bands (ev): -3.7875 -3.7875 -0.5852 -0.5852 1.0273 1.0273 3.3505 3.3505 5.5880 5.5880 5.6038 5.6038 7.9499 7.9499 8.0990 8.0990 15.8392 15.8392 17.9225 17.9225 18.7944 18.7944 21.5412 21.5412 k = 0.5000 0.4949 0.0634 ( 760 PWs) bands (ev): -3.7822 -3.7822 -0.5757 -0.5757 1.0373 1.0373 3.3620 3.3620 5.5578 5.5578 5.5722 5.5722 7.9109 7.9109 8.0699 8.0699 15.9075 15.9075 17.9842 17.9842 18.8694 18.8694 21.6018 21.6018 k = 0.5000 0.4949 0.0713 ( 760 PWs) bands (ev): -3.7762 -3.7762 -0.5651 -0.5651 1.0486 1.0486 3.3750 3.3750 5.5242 5.5242 5.5370 5.5370 7.8677 7.8677 8.0372 8.0372 15.9842 15.9842 18.0534 18.0534 18.9533 18.9533 21.6699 21.6699 k = 0.5000 0.4949 0.0793 ( 756 PWs) bands (ev): -3.7696 -3.7696 -0.5534 -0.5534 1.0612 1.0612 3.3894 3.3894 5.4873 5.4873 5.4986 5.4986 7.8204 7.8204 8.0014 8.0014 16.0689 16.0689 18.1301 18.1301 19.0461 19.0461 21.7454 21.7454 k = 0.5000 0.4949 0.0872 ( 756 PWs) bands (ev): -3.7624 -3.7624 -0.5405 -0.5405 1.0749 1.0749 3.4052 3.4052 5.4473 5.4473 5.4573 5.4573 7.7694 7.7694 7.9624 7.9624 16.1613 16.1613 18.2140 18.2140 19.1474 19.1474 21.8282 21.8282 k = 0.5000 0.4949 0.0951 ( 756 PWs) bands (ev): -3.7547 -3.7547 -0.5266 -0.5266 1.0898 1.0898 3.4225 3.4225 5.4046 5.4046 5.4134 5.4134 7.7150 7.7150 7.9205 7.9205 16.2612 16.2612 18.3048 18.3048 19.2568 19.2568 21.9180 21.9180 k = 0.5000 0.4949 0.1031 ( 756 PWs) bands (ev): -3.7464 -3.7464 -0.5116 -0.5116 1.1057 1.1057 3.4411 3.4411 5.3592 5.3592 5.3671 5.3671 7.6576 7.6576 7.8758 7.8758 16.3681 16.3681 18.4023 18.4023 19.3740 19.3740 22.0147 22.0147 k = 0.5000 0.4949 0.1110 ( 748 PWs) bands (ev): -3.7376 -3.7376 -0.4956 -0.4956 1.1228 1.1228 3.4610 3.4610 5.3116 5.3116 5.3189 5.3189 7.5975 7.5975 7.8287 7.8287 16.4819 16.4819 18.5063 18.5063 19.4987 19.4987 22.1180 22.1180 k = 0.5000 0.4949 0.1189 ( 752 PWs) bands (ev): -3.7283 -3.7283 -0.4786 -0.4786 1.1408 1.1408 3.4823 3.4823 5.2618 5.2618 5.2688 5.2688 7.5350 7.5350 7.7792 7.7792 16.6020 16.6020 18.6164 18.6164 19.6304 19.6304 22.2277 22.2277 k = 0.5000 0.4949 0.1268 ( 744 PWs) bands (ev): -3.7187 -3.7187 -0.4608 -0.4608 1.1599 1.1599 3.5048 3.5048 5.2104 5.2104 5.2174 5.2174 7.4706 7.4706 7.7276 7.7276 16.7283 16.7283 18.7324 18.7324 19.7690 19.7690 22.3437 22.3437 k = 0.5000 0.4949 0.1348 ( 748 PWs) bands (ev): -3.7086 -3.7086 -0.4422 -0.4422 1.1797 1.1797 3.5285 3.5285 5.1573 5.1573 5.1648 5.1648 7.4044 7.4044 7.6741 7.6741 16.8603 16.8603 18.8540 18.8540 19.9138 19.9138 22.4655 22.4655 k = 0.5000 0.4949 0.1427 ( 748 PWs) bands (ev): -3.6983 -3.6983 -0.4228 -0.4228 1.2004 1.2004 3.5533 3.5533 5.1029 5.1029 5.1113 5.1113 7.3370 7.3370 7.6189 7.6189 16.9977 16.9977 18.9808 18.9808 20.0647 20.0647 22.5930 22.5930 k = 0.5000 0.4949 0.1506 ( 756 PWs) bands (ev): -3.6876 -3.6876 -0.4028 -0.4028 1.2219 1.2219 3.5792 3.5792 5.0474 5.0474 5.0572 5.0572 7.2685 7.2685 7.5624 7.5624 17.1401 17.1401 19.1126 19.1126 20.2213 20.2213 22.7260 22.7260 k = 0.5000 0.4949 0.1585 ( 756 PWs) bands (ev): -3.6768 -3.6768 -0.3821 -0.3821 1.2440 1.2440 3.6062 3.6062 4.9913 4.9913 5.0029 5.0029 7.1994 7.1994 7.5046 7.5046 17.2873 17.2873 19.2491 19.2491 20.3832 20.3832 22.8643 22.8643 k = 0.5000 0.4949 0.1665 ( 756 PWs) bands (ev): -3.6657 -3.6657 -0.3609 -0.3609 1.2666 1.2666 3.6341 3.6341 4.9346 4.9346 4.9487 4.9487 7.1300 7.1300 7.4459 7.4459 17.4388 17.4388 19.3900 19.3900 20.5500 20.5500 23.0075 23.0075 k = 0.5000 0.4949 0.1744 ( 756 PWs) bands (ev): -3.6545 -3.6545 -0.3392 -0.3392 1.2898 1.2898 3.6629 3.6629 4.8778 4.8778 4.8947 4.8947 7.0606 7.0606 7.3864 7.3864 17.5943 17.5943 19.5349 19.5349 20.7214 20.7214 23.1554 23.1554 k = 0.5000 0.4949 0.1823 ( 752 PWs) bands (ev): -3.6433 -3.6433 -0.3172 -0.3172 1.3133 1.3133 3.6924 3.6924 4.8209 4.8209 4.8414 4.8414 6.9916 6.9916 7.3265 7.3265 17.7535 17.7535 19.6836 19.6836 20.8971 20.8971 23.3079 23.3079 k = 0.5000 0.4949 0.1903 ( 752 PWs) bands (ev): -3.6320 -3.6320 -0.2950 -0.2950 1.3371 1.3371 3.7226 3.7226 4.7644 4.7644 4.7887 4.7887 6.9231 6.9231 7.2664 7.2664 17.9158 17.9158 19.8356 19.8356 21.0766 21.0766 23.4646 23.4646 k = 0.5000 0.4949 0.1982 ( 752 PWs) bands (ev): -3.6208 -3.6208 -0.2726 -0.2726 1.3611 1.3611 3.7534 3.7534 4.7084 4.7084 4.7372 4.7372 6.8556 6.8556 7.2062 7.2062 18.0810 18.0810 19.9906 19.9906 21.2595 21.2595 23.6251 23.6251 k = 0.5000 0.4949 0.2061 ( 752 PWs) bands (ev): -3.6097 -3.6097 -0.2502 -0.2502 1.3851 1.3851 3.7846 3.7846 4.6533 4.6533 4.6868 4.6868 6.7893 6.7893 7.1464 7.1464 18.2487 18.2487 20.1483 20.1483 21.4455 21.4455 23.7893 23.7893 k = 0.5000 0.4949 0.2140 ( 756 PWs) bands (ev): -3.5987 -3.5987 -0.2279 -0.2279 1.4090 1.4090 3.8160 3.8160 4.5992 4.5992 4.6379 4.6379 6.7245 6.7245 7.0871 7.0871 18.4184 18.4184 20.3083 20.3083 21.6341 21.6341 23.9569 23.9569 k = 0.5000 0.4949 0.2220 ( 760 PWs) bands (ev): -3.5880 -3.5880 -0.2058 -0.2058 1.4327 1.4327 3.8476 3.8476 4.5465 4.5465 4.5907 4.5907 6.6615 6.6615 7.0286 7.0286 18.5895 18.5895 20.4700 20.4700 21.8249 21.8249 24.1276 24.1276 k = 0.5000 0.4949 0.2299 ( 760 PWs) bands (ev): -3.5775 -3.5775 -0.1840 -0.1840 1.4560 1.4560 3.8791 3.8791 4.4954 4.4954 4.5453 4.5453 6.6006 6.6006 6.9713 6.9713 18.7617 18.7617 20.6332 20.6332 22.0173 22.0173 24.3011 24.3011 k = 0.5000 0.4949 0.2378 ( 764 PWs) bands (ev): -3.5674 -3.5674 -0.1628 -0.1628 1.4788 1.4788 3.9105 3.9105 4.4462 4.4462 4.5020 4.5020 6.5421 6.5421 6.9153 6.9153 18.9344 18.9344 20.7973 20.7973 22.2108 22.2108 24.4770 24.4770 k = 0.5000 0.4949 0.2457 ( 764 PWs) bands (ev): -3.5577 -3.5577 -0.1422 -0.1422 1.5009 1.5009 3.9414 3.9414 4.3990 4.3990 4.4609 4.4609 6.4862 6.4862 6.8610 6.8610 19.1069 19.1069 20.9617 20.9617 22.4048 22.4048 24.6551 24.6551 k = 0.5000 0.4949 0.2537 ( 768 PWs) bands (ev): -3.5484 -3.5484 -0.1223 -0.1223 1.5223 1.5223 3.9716 3.9716 4.3542 4.3542 4.4222 4.4222 6.4332 6.4332 6.8088 6.8088 19.2784 19.2784 21.1258 21.1258 22.5985 22.5985 24.8349 24.8349 k = 0.5000 0.4949 0.2616 ( 768 PWs) bands (ev): -3.5397 -3.5397 -0.1033 -0.1033 1.5427 1.5427 4.0010 4.0010 4.3120 4.3120 4.3860 4.3860 6.3833 6.3833 6.7589 6.7589 19.4482 19.4482 21.2889 21.2889 22.7911 22.7911 24.7230 24.7230 k = 0.5000 0.4949 0.2695 ( 768 PWs) bands (ev): -3.5315 -3.5315 -0.0854 -0.0854 1.5619 1.5619 4.0292 4.0292 4.2726 4.2726 4.3525 4.3525 6.3368 6.3368 6.7117 6.7117 19.6151 19.6151 21.4500 21.4500 22.9815 22.9815 24.5725 24.5725 k = 0.5000 0.4949 0.2775 ( 768 PWs) bands (ev): -3.5239 -3.5239 -0.0686 -0.0686 1.5799 1.5799 4.0560 4.0560 4.2362 4.2362 4.3218 4.3218 6.2940 6.2940 6.6675 6.6675 19.7780 19.7780 21.6082 21.6082 23.1684 23.1684 24.4243 24.4243 k = 0.5000 0.4949 0.2854 ( 768 PWs) bands (ev): -3.5170 -3.5170 -0.0532 -0.0532 1.5965 1.5965 4.0810 4.0810 4.2030 4.2030 4.2940 4.2940 6.2550 6.2550 6.6267 6.6267 19.9354 19.9354 21.7621 21.7621 23.3504 23.3504 24.2801 24.2801 k = 0.5000 0.4949 0.2933 ( 764 PWs) bands (ev): -3.5108 -3.5108 -0.0393 -0.0393 1.6115 1.6115 4.1041 4.1041 4.1732 4.1732 4.2693 4.2693 6.2201 6.2201 6.5897 6.5897 20.0855 20.0855 21.9102 21.9102 23.5252 23.5252 24.1416 24.1416 k = 0.5000 0.4949 0.3012 ( 764 PWs) bands (ev): -3.5054 -3.5054 -0.0269 -0.0269 1.6248 1.6248 4.1247 4.1247 4.1472 4.1472 4.2476 4.2476 6.1894 6.1894 6.5567 6.5567 20.2259 20.2259 22.0501 22.0501 23.6904 23.6904 24.0111 24.0111 k = 0.5000 0.4949 0.3092 ( 764 PWs) bands (ev): -3.5007 -3.5007 -0.0162 -0.0162 1.6363 1.6363 4.1243 4.1243 4.1433 4.1433 4.2292 4.2292 6.1631 6.1631 6.5281 6.5281 20.3540 20.3540 22.1793 22.1793 23.8428 23.8428 23.8914 23.8914 k = 0.5000 0.4949 0.3171 ( 764 PWs) bands (ev): -3.4968 -3.4968 -0.0074 -0.0074 1.6459 1.6459 4.1059 4.1059 4.1584 4.1584 4.2140 4.2140 6.1414 6.1414 6.5042 6.5042 20.4665 20.4665 22.2944 22.2944 23.7857 23.7857 23.9783 23.9783 k = 0.5000 0.4949 0.3250 ( 764 PWs) bands (ev): -3.4938 -3.4938 -0.0004 -0.0004 1.6534 1.6534 4.0913 4.0913 4.1704 4.1704 4.2023 4.2023 6.1243 6.1243 6.4853 6.4853 20.5598 20.5598 22.3914 22.3914 23.6976 23.6976 24.0921 24.0921 k = 0.5000 0.4949 0.3330 ( 764 PWs) bands (ev): -3.4916 -3.4916 0.0047 0.0047 1.6588 1.6588 4.0809 4.0809 4.1789 4.1789 4.1941 4.1941 6.1121 6.1121 6.4716 6.4716 20.6301 20.6301 22.4655 22.4655 23.6311 23.6311 24.1790 24.1790 k = 0.5000 0.4949 0.3409 ( 760 PWs) bands (ev): -3.4903 -3.4903 0.0078 0.0078 1.6621 1.6621 4.0746 4.0746 4.1832 4.1832 4.1901 4.1901 6.1048 6.1048 6.4634 6.4634 20.6741 20.6741 22.5124 22.5124 23.5895 23.5895 24.2337 24.2337 k = 0.5000 0.4949 0.3488 ( 760 PWs) bands (ev): -3.4898 -3.4898 0.0088 0.0088 1.6632 1.6632 4.0725 4.0725 4.1838 4.1838 4.1897 4.1897 6.1023 6.1023 6.4606 6.4606 20.6890 20.6890 22.5285 22.5285 23.5753 23.5753 24.2524 24.2524 Writing output data file BC2N.save init_run : 0.94s CPU 12.08s WALL ( 1 calls) electrons : 157.65s CPU 163.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.26s CPU 1.76s WALL ( 1 calls) Called by electrons: c_bands : 157.59s CPU 162.64s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.89s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.01s CPU 0.50s WALL ( 1 calls) newd : 0.10s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 692 calls) cegterg : 136.73s CPU 138.32s WALL ( 955 calls) Called by sum_band: Called by *egterg: h_psi : 61.37s CPU 68.11s WALL ( 15548 calls) s_psi : 1.98s CPU 3.30s WALL ( 15548 calls) g_psi : 0.06s CPU 0.10s WALL ( 13901 calls) cdiaghg : 48.59s CPU 50.34s WALL ( 14593 calls) cegterg:over : 12.88s CPU 10.86s WALL ( 13901 calls) cegterg:upda : 0.66s CPU 0.81s WALL ( 13901 calls) cegterg:last : 0.28s CPU 0.61s WALL ( 2825 calls) Called by h_psi: h_psi:vloc : 51.04s CPU 57.82s WALL ( 15548 calls) h_psi:vnl : 10.30s CPU 10.15s WALL ( 15548 calls) add_vuspsi : 0.88s CPU 2.30s WALL ( 15548 calls) General routines calbec : 9.38s CPU 7.74s WALL ( 15548 calls) fft : 0.28s CPU 1.41s WALL ( 19 calls) ffts : 0.04s CPU 0.12s WALL ( 4 calls) fftw : 49.14s CPU 55.78s WALL ( 850264 calls) interpolate : 0.10s CPU 0.17s WALL ( 4 calls) davcio : 0.04s CPU 0.77s WALL ( 1384 calls) Parallel routines fft_scatter : 37.85s CPU 42.79s WALL ( 850287 calls) PWSCF : 3m18.40s CPU 4m44.04s WALL This run was terminated on: 16:34: 2 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=