Program PWSCF v.5.1.1 starts on 29Oct2015 at 17: 0:27 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: ./B2CN.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 2 708 271 48 Max 13 7 3 723 293 61 Sum 593 325 101 34223 13495 2513 bravais-lattice index = 14 lattice parameter (alat) = 4.7375 a.u. unit-cell volume = 342.5842 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 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)= 4.737543 celldm(2)= 1.021141 celldm(3)= 3.155166 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 1.021141 0.000000 ) a(3) = ( 0.000000 0.000000 3.155166 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.979297 -0.000000 ) b(3) = ( 0.000000 0.000000 0.316941 ) 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= 592 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016892 k( 2) = ( 0.0079365 -0.0000000 -0.0000000), wk = 0.0016892 k( 3) = ( 0.0158730 -0.0000000 -0.0000000), wk = 0.0016892 k( 4) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0016892 k( 5) = ( 0.0317460 -0.0000000 -0.0000000), wk = 0.0016892 k( 6) = ( 0.0396825 -0.0000000 -0.0000000), wk = 0.0016892 k( 7) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0016892 k( 8) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0016892 k( 9) = ( 0.0634921 -0.0000000 -0.0000000), wk = 0.0016892 k( 10) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0016892 k( 11) = ( 0.0793651 -0.0000000 -0.0000000), wk = 0.0016892 k( 12) = ( 0.0873016 -0.0000000 -0.0000000), wk = 0.0016892 k( 13) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0016892 k( 14) = ( 0.1031746 -0.0000000 -0.0000000), wk = 0.0016892 k( 15) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0016892 k( 16) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0016892 k( 17) = ( 0.1269841 -0.0000000 -0.0000000), wk = 0.0016892 k( 18) = ( 0.1349206 -0.0000000 -0.0000000), wk = 0.0016892 k( 19) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0016892 k( 20) = ( 0.1507937 -0.0000000 -0.0000000), wk = 0.0016892 k( 21) = ( 0.1587302 -0.0000000 -0.0000000), wk = 0.0016892 k( 22) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0016892 k( 23) = ( 0.1746032 -0.0000000 -0.0000000), wk = 0.0016892 k( 24) = ( 0.1825397 -0.0000000 -0.0000000), wk = 0.0016892 k( 25) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0016892 k( 26) = ( 0.1984127 -0.0000000 -0.0000000), wk = 0.0016892 k( 27) = ( 0.2063492 -0.0000000 -0.0000000), wk = 0.0016892 k( 28) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0016892 k( 29) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0016892 k( 30) = ( 0.2301587 -0.0000000 -0.0000000), wk = 0.0016892 k( 31) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0016892 k( 32) = ( 0.2460317 -0.0000000 -0.0000000), wk = 0.0016892 k( 33) = ( 0.2539683 -0.0000000 -0.0000000), wk = 0.0016892 k( 34) = ( 0.2619048 -0.0000000 -0.0000000), wk = 0.0016892 k( 35) = ( 0.2698413 -0.0000000 -0.0000000), wk = 0.0016892 k( 36) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0016892 k( 37) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0016892 k( 38) = ( 0.2936508 -0.0000000 -0.0000000), wk = 0.0016892 k( 39) = ( 0.3015873 -0.0000000 -0.0000000), wk = 0.0016892 k( 40) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0016892 k( 41) = ( 0.3174603 -0.0000000 -0.0000000), wk = 0.0016892 k( 42) = ( 0.3253968 -0.0000000 -0.0000000), wk = 0.0016892 k( 43) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0016892 k( 44) = ( 0.3412698 -0.0000000 -0.0000000), wk = 0.0016892 k( 45) = ( 0.3492063 -0.0000000 -0.0000000), wk = 0.0016892 k( 46) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0016892 k( 47) = ( 0.3650794 -0.0000000 -0.0000000), wk = 0.0016892 k( 48) = ( 0.3730159 -0.0000000 -0.0000000), wk = 0.0016892 k( 49) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0016892 k( 50) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0016892 k( 51) = ( 0.3968254 -0.0000000 -0.0000000), wk = 0.0016892 k( 52) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0016892 k( 53) = ( 0.4126984 -0.0000000 -0.0000000), wk = 0.0016892 k( 54) = ( 0.4206349 -0.0000000 -0.0000000), wk = 0.0016892 k( 55) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0016892 k( 56) = ( 0.4365079 -0.0000000 -0.0000000), wk = 0.0016892 k( 57) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0016892 k( 58) = ( 0.4523810 -0.0000000 -0.0000000), wk = 0.0016892 k( 59) = ( 0.4603175 -0.0000000 -0.0000000), wk = 0.0016892 k( 60) = ( 0.4682540 -0.0000000 -0.0000000), wk = 0.0016892 k( 61) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0016892 k( 62) = ( 0.4841270 -0.0000000 -0.0000000), wk = 0.0016892 k( 63) = ( 0.4920635 -0.0000000 -0.0000000), wk = 0.0016892 k( 64) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0016892 k( 65) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0016892 k( 66) = ( 0.5000000 0.0078976 -0.0000000), wk = 0.0016892 k( 67) = ( 0.5000000 0.0157951 -0.0000000), wk = 0.0016892 k( 68) = ( 0.5000000 0.0236927 -0.0000000), wk = 0.0016892 k( 69) = ( 0.5000000 0.0315902 -0.0000000), wk = 0.0016892 k( 70) = ( 0.5000000 0.0394878 -0.0000000), wk = 0.0016892 k( 71) = ( 0.5000000 0.0473853 -0.0000000), wk = 0.0016892 k( 72) = ( 0.5000000 0.0552829 -0.0000000), wk = 0.0016892 k( 73) = ( 0.5000000 0.0631804 -0.0000000), wk = 0.0016892 k( 74) = ( 0.5000000 0.0710780 -0.0000000), wk = 0.0016892 k( 75) = ( 0.5000000 0.0789756 -0.0000000), wk = 0.0016892 k( 76) = ( 0.5000000 0.0868731 -0.0000000), wk = 0.0016892 k( 77) = ( 0.5000000 0.0947707 -0.0000000), wk = 0.0016892 k( 78) = ( 0.5000000 0.1026682 -0.0000000), wk = 0.0016892 k( 79) = ( 0.5000000 0.1105658 -0.0000000), wk = 0.0016892 k( 80) = ( 0.5000000 0.1184633 -0.0000000), wk = 0.0016892 k( 81) = ( 0.5000000 0.1263609 -0.0000000), wk = 0.0016892 k( 82) = ( 0.5000000 0.1342584 -0.0000000), wk = 0.0016892 k( 83) = ( 0.5000000 0.1421560 -0.0000000), wk = 0.0016892 k( 84) = ( 0.5000000 0.1500536 -0.0000000), wk = 0.0016892 k( 85) = ( 0.5000000 0.1579511 -0.0000000), wk = 0.0016892 k( 86) = ( 0.5000000 0.1658487 -0.0000000), wk = 0.0016892 k( 87) = ( 0.5000000 0.1737462 -0.0000000), wk = 0.0016892 k( 88) = ( 0.5000000 0.1816438 -0.0000000), wk = 0.0016892 k( 89) = ( 0.5000000 0.1895413 -0.0000000), wk = 0.0016892 k( 90) = ( 0.5000000 0.1974389 -0.0000000), wk = 0.0016892 k( 91) = ( 0.5000000 0.2053364 -0.0000000), wk = 0.0016892 k( 92) = ( 0.5000000 0.2132340 -0.0000000), wk = 0.0016892 k( 93) = ( 0.5000000 0.2211316 -0.0000000), wk = 0.0016892 k( 94) = ( 0.5000000 0.2290291 -0.0000000), wk = 0.0016892 k( 95) = ( 0.5000000 0.2369267 -0.0000000), wk = 0.0016892 k( 96) = ( 0.5000000 0.2448242 -0.0000000), wk = 0.0016892 k( 97) = ( 0.5000000 0.2527218 -0.0000000), wk = 0.0016892 k( 98) = ( 0.5000000 0.2606193 -0.0000000), wk = 0.0016892 k( 99) = ( 0.5000000 0.2685169 -0.0000000), wk = 0.0016892 k( 100) = ( 0.5000000 0.2764144 -0.0000000), wk = 0.0016892 k( 101) = ( 0.5000000 0.2843120 -0.0000000), wk = 0.0016892 k( 102) = ( 0.5000000 0.2922096 -0.0000000), wk = 0.0016892 k( 103) = ( 0.5000000 0.3001071 -0.0000000), wk = 0.0016892 k( 104) = ( 0.5000000 0.3080047 -0.0000000), wk = 0.0016892 k( 105) = ( 0.5000000 0.3159022 -0.0000000), wk = 0.0016892 k( 106) = ( 0.5000000 0.3237998 -0.0000000), wk = 0.0016892 k( 107) = ( 0.5000000 0.3316973 -0.0000000), wk = 0.0016892 k( 108) = ( 0.5000000 0.3395949 -0.0000000), wk = 0.0016892 k( 109) = ( 0.5000000 0.3474924 -0.0000000), wk = 0.0016892 k( 110) = ( 0.5000000 0.3553900 -0.0000000), wk = 0.0016892 k( 111) = ( 0.5000000 0.3632875 -0.0000000), wk = 0.0016892 k( 112) = ( 0.5000000 0.3711851 -0.0000000), wk = 0.0016892 k( 113) = ( 0.5000000 0.3790827 -0.0000000), wk = 0.0016892 k( 114) = ( 0.5000000 0.3869802 -0.0000000), wk = 0.0016892 k( 115) = ( 0.5000000 0.3948778 -0.0000000), wk = 0.0016892 k( 116) = ( 0.5000000 0.4027753 -0.0000000), wk = 0.0016892 k( 117) = ( 0.5000000 0.4106729 -0.0000000), wk = 0.0016892 k( 118) = ( 0.5000000 0.4185704 -0.0000000), wk = 0.0016892 k( 119) = ( 0.5000000 0.4264680 -0.0000000), wk = 0.0016892 k( 120) = ( 0.5000000 0.4343656 -0.0000000), wk = 0.0016892 k( 121) = ( 0.5000000 0.4422631 -0.0000000), wk = 0.0016892 k( 122) = ( 0.5000000 0.4501607 -0.0000000), wk = 0.0016892 k( 123) = ( 0.5000000 0.4580582 -0.0000000), wk = 0.0016892 k( 124) = ( 0.5000000 0.4659558 -0.0000000), wk = 0.0016892 k( 125) = ( 0.5000000 0.4738533 -0.0000000), wk = 0.0016892 k( 126) = ( 0.5000000 0.4817509 -0.0000000), wk = 0.0016892 k( 127) = ( 0.5000000 0.4896484 -0.0000000), wk = 0.0016892 k( 128) = ( 0.5000000 0.4896484 -0.0000000), wk = 0.0016892 k( 129) = ( 0.4920635 0.4896484 -0.0000000), wk = 0.0016892 k( 130) = ( 0.4841270 0.4896484 -0.0000000), wk = 0.0016892 k( 131) = ( 0.4761905 0.4896484 -0.0000000), wk = 0.0016892 k( 132) = ( 0.4682540 0.4896484 -0.0000000), wk = 0.0016892 k( 133) = ( 0.4603175 0.4896484 -0.0000000), wk = 0.0016892 k( 134) = ( 0.4523810 0.4896484 -0.0000000), wk = 0.0016892 k( 135) = ( 0.4444444 0.4896484 -0.0000000), wk = 0.0016892 k( 136) = ( 0.4365079 0.4896484 -0.0000000), wk = 0.0016892 k( 137) = ( 0.4285714 0.4896484 -0.0000000), wk = 0.0016892 k( 138) = ( 0.4206349 0.4896484 -0.0000000), wk = 0.0016892 k( 139) = ( 0.4126984 0.4896484 -0.0000000), wk = 0.0016892 k( 140) = ( 0.4047619 0.4896484 -0.0000000), wk = 0.0016892 k( 141) = ( 0.3968254 0.4896484 -0.0000000), wk = 0.0016892 k( 142) = ( 0.3888889 0.4896484 -0.0000000), wk = 0.0016892 k( 143) = ( 0.3809524 0.4896484 -0.0000000), wk = 0.0016892 k( 144) = ( 0.3730159 0.4896484 -0.0000000), wk = 0.0016892 k( 145) = ( 0.3650794 0.4896484 -0.0000000), wk = 0.0016892 k( 146) = ( 0.3571429 0.4896484 -0.0000000), wk = 0.0016892 k( 147) = ( 0.3492063 0.4896484 -0.0000000), wk = 0.0016892 k( 148) = ( 0.3412698 0.4896484 -0.0000000), wk = 0.0016892 k( 149) = ( 0.3333333 0.4896484 -0.0000000), wk = 0.0016892 k( 150) = ( 0.3253968 0.4896484 -0.0000000), wk = 0.0016892 k( 151) = ( 0.3174603 0.4896484 -0.0000000), wk = 0.0016892 k( 152) = ( 0.3095238 0.4896484 -0.0000000), wk = 0.0016892 k( 153) = ( 0.3015873 0.4896484 -0.0000000), wk = 0.0016892 k( 154) = ( 0.2936508 0.4896484 -0.0000000), wk = 0.0016892 k( 155) = ( 0.2857143 0.4896484 -0.0000000), wk = 0.0016892 k( 156) = ( 0.2777778 0.4896484 -0.0000000), wk = 0.0016892 k( 157) = ( 0.2698413 0.4896484 -0.0000000), wk = 0.0016892 k( 158) = ( 0.2619048 0.4896484 -0.0000000), wk = 0.0016892 k( 159) = ( 0.2539683 0.4896484 -0.0000000), wk = 0.0016892 k( 160) = ( 0.2460317 0.4896484 -0.0000000), wk = 0.0016892 k( 161) = ( 0.2380952 0.4896484 -0.0000000), wk = 0.0016892 k( 162) = ( 0.2301587 0.4896484 -0.0000000), wk = 0.0016892 k( 163) = ( 0.2222222 0.4896484 -0.0000000), wk = 0.0016892 k( 164) = ( 0.2142857 0.4896484 -0.0000000), wk = 0.0016892 k( 165) = ( 0.2063492 0.4896484 -0.0000000), wk = 0.0016892 k( 166) = ( 0.1984127 0.4896484 -0.0000000), wk = 0.0016892 k( 167) = ( 0.1904762 0.4896484 -0.0000000), wk = 0.0016892 k( 168) = ( 0.1825397 0.4896484 -0.0000000), wk = 0.0016892 k( 169) = ( 0.1746032 0.4896484 -0.0000000), wk = 0.0016892 k( 170) = ( 0.1666667 0.4896484 -0.0000000), wk = 0.0016892 k( 171) = ( 0.1587302 0.4896484 -0.0000000), wk = 0.0016892 k( 172) = ( 0.1507937 0.4896484 -0.0000000), wk = 0.0016892 k( 173) = ( 0.1428571 0.4896484 -0.0000000), wk = 0.0016892 k( 174) = ( 0.1349206 0.4896484 -0.0000000), wk = 0.0016892 k( 175) = ( 0.1269841 0.4896484 -0.0000000), wk = 0.0016892 k( 176) = ( 0.1190476 0.4896484 -0.0000000), wk = 0.0016892 k( 177) = ( 0.1111111 0.4896484 -0.0000000), wk = 0.0016892 k( 178) = ( 0.1031746 0.4896484 -0.0000000), wk = 0.0016892 k( 179) = ( 0.0952381 0.4896484 -0.0000000), wk = 0.0016892 k( 180) = ( 0.0873016 0.4896484 -0.0000000), wk = 0.0016892 k( 181) = ( 0.0793651 0.4896484 -0.0000000), wk = 0.0016892 k( 182) = ( 0.0714286 0.4896484 -0.0000000), wk = 0.0016892 k( 183) = ( 0.0634921 0.4896484 -0.0000000), wk = 0.0016892 k( 184) = ( 0.0555556 0.4896484 -0.0000000), wk = 0.0016892 k( 185) = ( 0.0476191 0.4896484 -0.0000000), wk = 0.0016892 k( 186) = ( 0.0396825 0.4896484 -0.0000000), wk = 0.0016892 k( 187) = ( 0.0317460 0.4896484 -0.0000000), wk = 0.0016892 k( 188) = ( 0.0238095 0.4896484 -0.0000000), wk = 0.0016892 k( 189) = ( 0.0158730 0.4896484 -0.0000000), wk = 0.0016892 k( 190) = ( 0.0079365 0.4896484 -0.0000000), wk = 0.0016892 k( 191) = ( 0.0000000 0.4896484 -0.0000000), wk = 0.0016892 k( 192) = ( 0.0000000 0.4896484 -0.0000000), wk = 0.0016892 k( 193) = ( 0.0000000 0.4817509 -0.0000000), wk = 0.0016892 k( 194) = ( 0.0000000 0.4738533 -0.0000000), wk = 0.0016892 k( 195) = ( 0.0000000 0.4659558 -0.0000000), wk = 0.0016892 k( 196) = ( 0.0000000 0.4580582 -0.0000000), wk = 0.0016892 k( 197) = ( 0.0000000 0.4501607 -0.0000000), wk = 0.0016892 k( 198) = ( 0.0000000 0.4422631 -0.0000000), wk = 0.0016892 k( 199) = ( 0.0000000 0.4343656 -0.0000000), wk = 0.0016892 k( 200) = ( 0.0000000 0.4264680 -0.0000000), wk = 0.0016892 k( 201) = ( 0.0000000 0.4185704 -0.0000000), wk = 0.0016892 k( 202) = ( 0.0000000 0.4106729 -0.0000000), wk = 0.0016892 k( 203) = ( 0.0000000 0.4027753 -0.0000000), wk = 0.0016892 k( 204) = ( 0.0000000 0.3948778 -0.0000000), wk = 0.0016892 k( 205) = ( 0.0000000 0.3869802 -0.0000000), wk = 0.0016892 k( 206) = ( 0.0000000 0.3790827 -0.0000000), wk = 0.0016892 k( 207) = ( 0.0000000 0.3711851 -0.0000000), wk = 0.0016892 k( 208) = ( 0.0000000 0.3632875 -0.0000000), wk = 0.0016892 k( 209) = ( 0.0000000 0.3553900 -0.0000000), wk = 0.0016892 k( 210) = ( 0.0000000 0.3474924 -0.0000000), wk = 0.0016892 k( 211) = ( 0.0000000 0.3395949 -0.0000000), wk = 0.0016892 k( 212) = ( 0.0000000 0.3316973 -0.0000000), wk = 0.0016892 k( 213) = ( 0.0000000 0.3237998 -0.0000000), wk = 0.0016892 k( 214) = ( 0.0000000 0.3159022 -0.0000000), wk = 0.0016892 k( 215) = ( 0.0000000 0.3080047 -0.0000000), wk = 0.0016892 k( 216) = ( 0.0000000 0.3001071 -0.0000000), wk = 0.0016892 k( 217) = ( 0.0000000 0.2922096 -0.0000000), wk = 0.0016892 k( 218) = ( 0.0000000 0.2843120 -0.0000000), wk = 0.0016892 k( 219) = ( 0.0000000 0.2764144 -0.0000000), wk = 0.0016892 k( 220) = ( 0.0000000 0.2685169 -0.0000000), wk = 0.0016892 k( 221) = ( 0.0000000 0.2606193 -0.0000000), wk = 0.0016892 k( 222) = ( 0.0000000 0.2527218 -0.0000000), wk = 0.0016892 k( 223) = ( 0.0000000 0.2448242 -0.0000000), wk = 0.0016892 k( 224) = ( 0.0000000 0.2369267 -0.0000000), wk = 0.0016892 k( 225) = ( 0.0000000 0.2290291 -0.0000000), wk = 0.0016892 k( 226) = ( 0.0000000 0.2211316 -0.0000000), wk = 0.0016892 k( 227) = ( 0.0000000 0.2132340 -0.0000000), wk = 0.0016892 k( 228) = ( 0.0000000 0.2053364 -0.0000000), wk = 0.0016892 k( 229) = ( 0.0000000 0.1974389 -0.0000000), wk = 0.0016892 k( 230) = ( 0.0000000 0.1895413 -0.0000000), wk = 0.0016892 k( 231) = ( 0.0000000 0.1816438 -0.0000000), wk = 0.0016892 k( 232) = ( 0.0000000 0.1737462 -0.0000000), wk = 0.0016892 k( 233) = ( 0.0000000 0.1658487 -0.0000000), wk = 0.0016892 k( 234) = ( 0.0000000 0.1579511 -0.0000000), wk = 0.0016892 k( 235) = ( 0.0000000 0.1500536 -0.0000000), wk = 0.0016892 k( 236) = ( 0.0000000 0.1421560 -0.0000000), wk = 0.0016892 k( 237) = ( 0.0000000 0.1342584 -0.0000000), wk = 0.0016892 k( 238) = ( 0.0000000 0.1263609 -0.0000000), wk = 0.0016892 k( 239) = ( 0.0000000 0.1184633 -0.0000000), wk = 0.0016892 k( 240) = ( 0.0000000 0.1105658 -0.0000000), wk = 0.0016892 k( 241) = ( 0.0000000 0.1026682 -0.0000000), wk = 0.0016892 k( 242) = ( 0.0000000 0.0947707 -0.0000000), wk = 0.0016892 k( 243) = ( 0.0000000 0.0868731 -0.0000000), wk = 0.0016892 k( 244) = ( 0.0000000 0.0789756 -0.0000000), wk = 0.0016892 k( 245) = ( 0.0000000 0.0710780 -0.0000000), wk = 0.0016892 k( 246) = ( 0.0000000 0.0631804 -0.0000000), wk = 0.0016892 k( 247) = ( 0.0000000 0.0552829 -0.0000000), wk = 0.0016892 k( 248) = ( 0.0000000 0.0473853 -0.0000000), wk = 0.0016892 k( 249) = ( 0.0000000 0.0394878 -0.0000000), wk = 0.0016892 k( 250) = ( 0.0000000 0.0315902 -0.0000000), wk = 0.0016892 k( 251) = ( 0.0000000 0.0236927 -0.0000000), wk = 0.0016892 k( 252) = ( 0.0000000 0.0157951 -0.0000000), wk = 0.0016892 k( 253) = ( 0.0000000 0.0078976 -0.0000000), wk = 0.0016892 k( 254) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016892 k( 255) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016892 k( 256) = ( 0.0000000 0.0000000 0.0079235), wk = 0.0016892 k( 257) = ( 0.0000000 0.0000000 0.0158470), wk = 0.0016892 k( 258) = ( 0.0000000 0.0000000 0.0237705), wk = 0.0016892 k( 259) = ( 0.0000000 0.0000000 0.0316941), wk = 0.0016892 k( 260) = ( 0.0000000 0.0000000 0.0396176), wk = 0.0016892 k( 261) = ( 0.0000000 0.0000000 0.0475411), wk = 0.0016892 k( 262) = ( 0.0000000 0.0000000 0.0554646), wk = 0.0016892 k( 263) = ( 0.0000000 0.0000000 0.0633881), wk = 0.0016892 k( 264) = ( 0.0000000 0.0000000 0.0713116), wk = 0.0016892 k( 265) = ( 0.0000000 0.0000000 0.0792351), wk = 0.0016892 k( 266) = ( 0.0000000 0.0000000 0.0871587), wk = 0.0016892 k( 267) = ( 0.0000000 0.0000000 0.0950822), wk = 0.0016892 k( 268) = ( 0.0000000 0.0000000 0.1030057), wk = 0.0016892 k( 269) = ( 0.0000000 0.0000000 0.1109292), wk = 0.0016892 k( 270) = ( 0.0000000 0.0000000 0.1188527), wk = 0.0016892 k( 271) = ( 0.0000000 0.0000000 0.1267762), wk = 0.0016892 k( 272) = ( 0.0000000 0.0000000 0.1346997), wk = 0.0016892 k( 273) = ( 0.0000000 0.0000000 0.1426233), wk = 0.0016892 k( 274) = ( 0.0000000 0.0000000 0.1505468), wk = 0.0016892 k( 275) = ( 0.0000000 0.0000000 0.1584703), wk = 0.0016892 k( 276) = ( 0.0000000 0.0000000 0.1584703), wk = 0.0016892 k( 277) = ( 0.0079365 -0.0000000 0.1584703), wk = 0.0016892 k( 278) = ( 0.0158730 -0.0000000 0.1584703), wk = 0.0016892 k( 279) = ( 0.0238095 -0.0000000 0.1584703), wk = 0.0016892 k( 280) = ( 0.0317460 -0.0000000 0.1584703), wk = 0.0016892 k( 281) = ( 0.0396825 -0.0000000 0.1584703), wk = 0.0016892 k( 282) = ( 0.0476191 -0.0000000 0.1584703), wk = 0.0016892 k( 283) = ( 0.0555556 -0.0000000 0.1584703), wk = 0.0016892 k( 284) = ( 0.0634921 -0.0000000 0.1584703), wk = 0.0016892 k( 285) = ( 0.0714286 -0.0000000 0.1584703), wk = 0.0016892 k( 286) = ( 0.0793651 -0.0000000 0.1584703), wk = 0.0016892 k( 287) = ( 0.0873016 -0.0000000 0.1584703), wk = 0.0016892 k( 288) = ( 0.0952381 -0.0000000 0.1584703), wk = 0.0016892 k( 289) = ( 0.1031746 -0.0000000 0.1584703), wk = 0.0016892 k( 290) = ( 0.1111111 -0.0000000 0.1584703), wk = 0.0016892 k( 291) = ( 0.1190476 -0.0000000 0.1584703), wk = 0.0016892 k( 292) = ( 0.1269841 -0.0000000 0.1584703), wk = 0.0016892 k( 293) = ( 0.1349206 -0.0000000 0.1584703), wk = 0.0016892 k( 294) = ( 0.1428571 -0.0000000 0.1584703), wk = 0.0016892 k( 295) = ( 0.1507937 -0.0000000 0.1584703), wk = 0.0016892 k( 296) = ( 0.1587302 -0.0000000 0.1584703), wk = 0.0016892 k( 297) = ( 0.1666667 -0.0000000 0.1584703), wk = 0.0016892 k( 298) = ( 0.1746032 -0.0000000 0.1584703), wk = 0.0016892 k( 299) = ( 0.1825397 -0.0000000 0.1584703), wk = 0.0016892 k( 300) = ( 0.1904762 -0.0000000 0.1584703), wk = 0.0016892 k( 301) = ( 0.1984127 -0.0000000 0.1584703), wk = 0.0016892 k( 302) = ( 0.2063492 -0.0000000 0.1584703), wk = 0.0016892 k( 303) = ( 0.2142857 -0.0000000 0.1584703), wk = 0.0016892 k( 304) = ( 0.2222222 -0.0000000 0.1584703), wk = 0.0016892 k( 305) = ( 0.2301587 -0.0000000 0.1584703), wk = 0.0016892 k( 306) = ( 0.2380952 -0.0000000 0.1584703), wk = 0.0016892 k( 307) = ( 0.2460317 -0.0000000 0.1584703), wk = 0.0016892 k( 308) = ( 0.2539683 -0.0000000 0.1584703), wk = 0.0016892 k( 309) = ( 0.2619048 -0.0000000 0.1584703), wk = 0.0016892 k( 310) = ( 0.2698413 -0.0000000 0.1584703), wk = 0.0016892 k( 311) = ( 0.2777778 -0.0000000 0.1584703), wk = 0.0016892 k( 312) = ( 0.2857143 -0.0000000 0.1584703), wk = 0.0016892 k( 313) = ( 0.2936508 -0.0000000 0.1584703), wk = 0.0016892 k( 314) = ( 0.3015873 -0.0000000 0.1584703), wk = 0.0016892 k( 315) = ( 0.3095238 -0.0000000 0.1584703), wk = 0.0016892 k( 316) = ( 0.3174603 -0.0000000 0.1584703), wk = 0.0016892 k( 317) = ( 0.3253968 -0.0000000 0.1584703), wk = 0.0016892 k( 318) = ( 0.3333333 -0.0000000 0.1584703), wk = 0.0016892 k( 319) = ( 0.3412698 -0.0000000 0.1584703), wk = 0.0016892 k( 320) = ( 0.3492063 -0.0000000 0.1584703), wk = 0.0016892 k( 321) = ( 0.3571429 -0.0000000 0.1584703), wk = 0.0016892 k( 322) = ( 0.3650794 -0.0000000 0.1584703), wk = 0.0016892 k( 323) = ( 0.3730159 -0.0000000 0.1584703), wk = 0.0016892 k( 324) = ( 0.3809524 -0.0000000 0.1584703), wk = 0.0016892 k( 325) = ( 0.3888889 -0.0000000 0.1584703), wk = 0.0016892 k( 326) = ( 0.3968254 -0.0000000 0.1584703), wk = 0.0016892 k( 327) = ( 0.4047619 -0.0000000 0.1584703), wk = 0.0016892 k( 328) = ( 0.4126984 -0.0000000 0.1584703), wk = 0.0016892 k( 329) = ( 0.4206349 -0.0000000 0.1584703), wk = 0.0016892 k( 330) = ( 0.4285714 -0.0000000 0.1584703), wk = 0.0016892 k( 331) = ( 0.4365079 -0.0000000 0.1584703), wk = 0.0016892 k( 332) = ( 0.4444444 -0.0000000 0.1584703), wk = 0.0016892 k( 333) = ( 0.4523810 -0.0000000 0.1584703), wk = 0.0016892 k( 334) = ( 0.4603175 -0.0000000 0.1584703), wk = 0.0016892 k( 335) = ( 0.4682540 -0.0000000 0.1584703), wk = 0.0016892 k( 336) = ( 0.4761905 -0.0000000 0.1584703), wk = 0.0016892 k( 337) = ( 0.4841270 -0.0000000 0.1584703), wk = 0.0016892 k( 338) = ( 0.4920635 -0.0000000 0.1584703), wk = 0.0016892 k( 339) = ( 0.5000000 -0.0000000 0.1584703), wk = 0.0016892 k( 340) = ( 0.5000000 -0.0000000 0.1584703), wk = 0.0016892 k( 341) = ( 0.5000000 0.0078976 0.1584703), wk = 0.0016892 k( 342) = ( 0.5000000 0.0157951 0.1584703), wk = 0.0016892 k( 343) = ( 0.5000000 0.0236927 0.1584703), wk = 0.0016892 k( 344) = ( 0.5000000 0.0315902 0.1584703), wk = 0.0016892 k( 345) = ( 0.5000000 0.0394878 0.1584703), wk = 0.0016892 k( 346) = ( 0.5000000 0.0473853 0.1584703), wk = 0.0016892 k( 347) = ( 0.5000000 0.0552829 0.1584703), wk = 0.0016892 k( 348) = ( 0.5000000 0.0631804 0.1584703), wk = 0.0016892 k( 349) = ( 0.5000000 0.0710780 0.1584703), wk = 0.0016892 k( 350) = ( 0.5000000 0.0789756 0.1584703), wk = 0.0016892 k( 351) = ( 0.5000000 0.0868731 0.1584703), wk = 0.0016892 k( 352) = ( 0.5000000 0.0947707 0.1584703), wk = 0.0016892 k( 353) = ( 0.5000000 0.1026682 0.1584703), wk = 0.0016892 k( 354) = ( 0.5000000 0.1105658 0.1584703), wk = 0.0016892 k( 355) = ( 0.5000000 0.1184633 0.1584703), wk = 0.0016892 k( 356) = ( 0.5000000 0.1263609 0.1584703), wk = 0.0016892 k( 357) = ( 0.5000000 0.1342584 0.1584703), wk = 0.0016892 k( 358) = ( 0.5000000 0.1421560 0.1584703), wk = 0.0016892 k( 359) = ( 0.5000000 0.1500536 0.1584703), wk = 0.0016892 k( 360) = ( 0.5000000 0.1579511 0.1584703), wk = 0.0016892 k( 361) = ( 0.5000000 0.1658487 0.1584703), wk = 0.0016892 k( 362) = ( 0.5000000 0.1737462 0.1584703), wk = 0.0016892 k( 363) = ( 0.5000000 0.1816438 0.1584703), wk = 0.0016892 k( 364) = ( 0.5000000 0.1895413 0.1584703), wk = 0.0016892 k( 365) = ( 0.5000000 0.1974389 0.1584703), wk = 0.0016892 k( 366) = ( 0.5000000 0.2053364 0.1584703), wk = 0.0016892 k( 367) = ( 0.5000000 0.2132340 0.1584703), wk = 0.0016892 k( 368) = ( 0.5000000 0.2211316 0.1584703), wk = 0.0016892 k( 369) = ( 0.5000000 0.2290291 0.1584703), wk = 0.0016892 k( 370) = ( 0.5000000 0.2369267 0.1584703), wk = 0.0016892 k( 371) = ( 0.5000000 0.2448242 0.1584703), wk = 0.0016892 k( 372) = ( 0.5000000 0.2527218 0.1584703), wk = 0.0016892 k( 373) = ( 0.5000000 0.2606193 0.1584703), wk = 0.0016892 k( 374) = ( 0.5000000 0.2685169 0.1584703), wk = 0.0016892 k( 375) = ( 0.5000000 0.2764144 0.1584703), wk = 0.0016892 k( 376) = ( 0.5000000 0.2843120 0.1584703), wk = 0.0016892 k( 377) = ( 0.5000000 0.2922096 0.1584703), wk = 0.0016892 k( 378) = ( 0.5000000 0.3001071 0.1584703), wk = 0.0016892 k( 379) = ( 0.5000000 0.3080047 0.1584703), wk = 0.0016892 k( 380) = ( 0.5000000 0.3159022 0.1584703), wk = 0.0016892 k( 381) = ( 0.5000000 0.3237998 0.1584703), wk = 0.0016892 k( 382) = ( 0.5000000 0.3316973 0.1584703), wk = 0.0016892 k( 383) = ( 0.5000000 0.3395949 0.1584703), wk = 0.0016892 k( 384) = ( 0.5000000 0.3474924 0.1584703), wk = 0.0016892 k( 385) = ( 0.5000000 0.3553900 0.1584703), wk = 0.0016892 k( 386) = ( 0.5000000 0.3632875 0.1584703), wk = 0.0016892 k( 387) = ( 0.5000000 0.3711851 0.1584703), wk = 0.0016892 k( 388) = ( 0.5000000 0.3790827 0.1584703), wk = 0.0016892 k( 389) = ( 0.5000000 0.3869802 0.1584703), wk = 0.0016892 k( 390) = ( 0.5000000 0.3948778 0.1584703), wk = 0.0016892 k( 391) = ( 0.5000000 0.4027753 0.1584703), wk = 0.0016892 k( 392) = ( 0.5000000 0.4106729 0.1584703), wk = 0.0016892 k( 393) = ( 0.5000000 0.4185704 0.1584703), wk = 0.0016892 k( 394) = ( 0.5000000 0.4264680 0.1584703), wk = 0.0016892 k( 395) = ( 0.5000000 0.4343656 0.1584703), wk = 0.0016892 k( 396) = ( 0.5000000 0.4422631 0.1584703), wk = 0.0016892 k( 397) = ( 0.5000000 0.4501607 0.1584703), wk = 0.0016892 k( 398) = ( 0.5000000 0.4580582 0.1584703), wk = 0.0016892 k( 399) = ( 0.5000000 0.4659558 0.1584703), wk = 0.0016892 k( 400) = ( 0.5000000 0.4738533 0.1584703), wk = 0.0016892 k( 401) = ( 0.5000000 0.4817509 0.1584703), wk = 0.0016892 k( 402) = ( 0.5000000 0.4896484 0.1584703), wk = 0.0016892 k( 403) = ( 0.5000000 0.4896484 0.1584703), wk = 0.0016892 k( 404) = ( 0.4920635 0.4896484 0.1584703), wk = 0.0016892 k( 405) = ( 0.4841270 0.4896484 0.1584703), wk = 0.0016892 k( 406) = ( 0.4761905 0.4896484 0.1584703), wk = 0.0016892 k( 407) = ( 0.4682540 0.4896484 0.1584703), wk = 0.0016892 k( 408) = ( 0.4603175 0.4896484 0.1584703), wk = 0.0016892 k( 409) = ( 0.4523810 0.4896484 0.1584703), wk = 0.0016892 k( 410) = ( 0.4444444 0.4896484 0.1584703), wk = 0.0016892 k( 411) = ( 0.4365079 0.4896484 0.1584703), wk = 0.0016892 k( 412) = ( 0.4285714 0.4896484 0.1584703), wk = 0.0016892 k( 413) = ( 0.4206349 0.4896484 0.1584703), wk = 0.0016892 k( 414) = ( 0.4126984 0.4896484 0.1584703), wk = 0.0016892 k( 415) = ( 0.4047619 0.4896484 0.1584703), wk = 0.0016892 k( 416) = ( 0.3968254 0.4896484 0.1584703), wk = 0.0016892 k( 417) = ( 0.3888889 0.4896484 0.1584703), wk = 0.0016892 k( 418) = ( 0.3809524 0.4896484 0.1584703), wk = 0.0016892 k( 419) = ( 0.3730159 0.4896484 0.1584703), wk = 0.0016892 k( 420) = ( 0.3650794 0.4896484 0.1584703), wk = 0.0016892 k( 421) = ( 0.3571429 0.4896484 0.1584703), wk = 0.0016892 k( 422) = ( 0.3492063 0.4896484 0.1584703), wk = 0.0016892 k( 423) = ( 0.3412698 0.4896484 0.1584703), wk = 0.0016892 k( 424) = ( 0.3333333 0.4896484 0.1584703), wk = 0.0016892 k( 425) = ( 0.3253968 0.4896484 0.1584703), wk = 0.0016892 k( 426) = ( 0.3174603 0.4896484 0.1584703), wk = 0.0016892 k( 427) = ( 0.3095238 0.4896484 0.1584703), wk = 0.0016892 k( 428) = ( 0.3015873 0.4896484 0.1584703), wk = 0.0016892 k( 429) = ( 0.2936508 0.4896484 0.1584703), wk = 0.0016892 k( 430) = ( 0.2857143 0.4896484 0.1584703), wk = 0.0016892 k( 431) = ( 0.2777778 0.4896484 0.1584703), wk = 0.0016892 k( 432) = ( 0.2698413 0.4896484 0.1584703), wk = 0.0016892 k( 433) = ( 0.2619048 0.4896484 0.1584703), wk = 0.0016892 k( 434) = ( 0.2539683 0.4896484 0.1584703), wk = 0.0016892 k( 435) = ( 0.2460317 0.4896484 0.1584703), wk = 0.0016892 k( 436) = ( 0.2380952 0.4896484 0.1584703), wk = 0.0016892 k( 437) = ( 0.2301587 0.4896484 0.1584703), wk = 0.0016892 k( 438) = ( 0.2222222 0.4896484 0.1584703), wk = 0.0016892 k( 439) = ( 0.2142857 0.4896484 0.1584703), wk = 0.0016892 k( 440) = ( 0.2063492 0.4896484 0.1584703), wk = 0.0016892 k( 441) = ( 0.1984127 0.4896484 0.1584703), wk = 0.0016892 k( 442) = ( 0.1904762 0.4896484 0.1584703), wk = 0.0016892 k( 443) = ( 0.1825397 0.4896484 0.1584703), wk = 0.0016892 k( 444) = ( 0.1746032 0.4896484 0.1584703), wk = 0.0016892 k( 445) = ( 0.1666667 0.4896484 0.1584703), wk = 0.0016892 k( 446) = ( 0.1587302 0.4896484 0.1584703), wk = 0.0016892 k( 447) = ( 0.1507937 0.4896484 0.1584703), wk = 0.0016892 k( 448) = ( 0.1428571 0.4896484 0.1584703), wk = 0.0016892 k( 449) = ( 0.1349206 0.4896484 0.1584703), wk = 0.0016892 k( 450) = ( 0.1269841 0.4896484 0.1584703), wk = 0.0016892 k( 451) = ( 0.1190476 0.4896484 0.1584703), wk = 0.0016892 k( 452) = ( 0.1111111 0.4896484 0.1584703), wk = 0.0016892 k( 453) = ( 0.1031746 0.4896484 0.1584703), wk = 0.0016892 k( 454) = ( 0.0952381 0.4896484 0.1584703), wk = 0.0016892 k( 455) = ( 0.0873016 0.4896484 0.1584703), wk = 0.0016892 k( 456) = ( 0.0793651 0.4896484 0.1584703), wk = 0.0016892 k( 457) = ( 0.0714286 0.4896484 0.1584703), wk = 0.0016892 k( 458) = ( 0.0634921 0.4896484 0.1584703), wk = 0.0016892 k( 459) = ( 0.0555556 0.4896484 0.1584703), wk = 0.0016892 k( 460) = ( 0.0476191 0.4896484 0.1584703), wk = 0.0016892 k( 461) = ( 0.0396825 0.4896484 0.1584703), wk = 0.0016892 k( 462) = ( 0.0317460 0.4896484 0.1584703), wk = 0.0016892 k( 463) = ( 0.0238095 0.4896484 0.1584703), wk = 0.0016892 k( 464) = ( 0.0158730 0.4896484 0.1584703), wk = 0.0016892 k( 465) = ( 0.0079365 0.4896484 0.1584703), wk = 0.0016892 k( 466) = ( 0.0000000 0.4896484 0.1584703), wk = 0.0016892 k( 467) = ( 0.0000000 0.4896484 0.1584703), wk = 0.0016892 k( 468) = ( 0.0000000 0.4817509 0.1584703), wk = 0.0016892 k( 469) = ( 0.0000000 0.4738533 0.1584703), wk = 0.0016892 k( 470) = ( 0.0000000 0.4659558 0.1584703), wk = 0.0016892 k( 471) = ( 0.0000000 0.4580582 0.1584703), wk = 0.0016892 k( 472) = ( 0.0000000 0.4501607 0.1584703), wk = 0.0016892 k( 473) = ( 0.0000000 0.4422631 0.1584703), wk = 0.0016892 k( 474) = ( 0.0000000 0.4343656 0.1584703), wk = 0.0016892 k( 475) = ( 0.0000000 0.4264680 0.1584703), wk = 0.0016892 k( 476) = ( 0.0000000 0.4185704 0.1584703), wk = 0.0016892 k( 477) = ( 0.0000000 0.4106729 0.1584703), wk = 0.0016892 k( 478) = ( 0.0000000 0.4027753 0.1584703), wk = 0.0016892 k( 479) = ( 0.0000000 0.3948778 0.1584703), wk = 0.0016892 k( 480) = ( 0.0000000 0.3869802 0.1584703), wk = 0.0016892 k( 481) = ( 0.0000000 0.3790827 0.1584703), wk = 0.0016892 k( 482) = ( 0.0000000 0.3711851 0.1584703), wk = 0.0016892 k( 483) = ( 0.0000000 0.3632875 0.1584703), wk = 0.0016892 k( 484) = ( 0.0000000 0.3553900 0.1584703), wk = 0.0016892 k( 485) = ( 0.0000000 0.3474924 0.1584703), wk = 0.0016892 k( 486) = ( 0.0000000 0.3395949 0.1584703), wk = 0.0016892 k( 487) = ( 0.0000000 0.3316973 0.1584703), wk = 0.0016892 k( 488) = ( 0.0000000 0.3237998 0.1584703), wk = 0.0016892 k( 489) = ( 0.0000000 0.3159022 0.1584703), wk = 0.0016892 k( 490) = ( 0.0000000 0.3080047 0.1584703), wk = 0.0016892 k( 491) = ( 0.0000000 0.3001071 0.1584703), wk = 0.0016892 k( 492) = ( 0.0000000 0.2922096 0.1584703), wk = 0.0016892 k( 493) = ( 0.0000000 0.2843120 0.1584703), wk = 0.0016892 k( 494) = ( 0.0000000 0.2764144 0.1584703), wk = 0.0016892 k( 495) = ( 0.0000000 0.2685169 0.1584703), wk = 0.0016892 k( 496) = ( 0.0000000 0.2606193 0.1584703), wk = 0.0016892 k( 497) = ( 0.0000000 0.2527218 0.1584703), wk = 0.0016892 k( 498) = ( 0.0000000 0.2448242 0.1584703), wk = 0.0016892 k( 499) = ( 0.0000000 0.2369267 0.1584703), wk = 0.0016892 k( 500) = ( 0.0000000 0.2290291 0.1584703), wk = 0.0016892 k( 501) = ( 0.0000000 0.2211316 0.1584703), wk = 0.0016892 k( 502) = ( 0.0000000 0.2132340 0.1584703), wk = 0.0016892 k( 503) = ( 0.0000000 0.2053364 0.1584703), wk = 0.0016892 k( 504) = ( 0.0000000 0.1974389 0.1584703), wk = 0.0016892 k( 505) = ( 0.0000000 0.1895413 0.1584703), wk = 0.0016892 k( 506) = ( 0.0000000 0.1816438 0.1584703), wk = 0.0016892 k( 507) = ( 0.0000000 0.1737462 0.1584703), wk = 0.0016892 k( 508) = ( 0.0000000 0.1658487 0.1584703), wk = 0.0016892 k( 509) = ( 0.0000000 0.1579511 0.1584703), wk = 0.0016892 k( 510) = ( 0.0000000 0.1500536 0.1584703), wk = 0.0016892 k( 511) = ( 0.0000000 0.1421560 0.1584703), wk = 0.0016892 k( 512) = ( 0.0000000 0.1342584 0.1584703), wk = 0.0016892 k( 513) = ( 0.0000000 0.1263609 0.1584703), wk = 0.0016892 k( 514) = ( 0.0000000 0.1184633 0.1584703), wk = 0.0016892 k( 515) = ( 0.0000000 0.1105658 0.1584703), wk = 0.0016892 k( 516) = ( 0.0000000 0.1026682 0.1584703), wk = 0.0016892 k( 517) = ( 0.0000000 0.0947707 0.1584703), wk = 0.0016892 k( 518) = ( 0.0000000 0.0868731 0.1584703), wk = 0.0016892 k( 519) = ( 0.0000000 0.0789756 0.1584703), wk = 0.0016892 k( 520) = ( 0.0000000 0.0710780 0.1584703), wk = 0.0016892 k( 521) = ( 0.0000000 0.0631804 0.1584703), wk = 0.0016892 k( 522) = ( 0.0000000 0.0552829 0.1584703), wk = 0.0016892 k( 523) = ( 0.0000000 0.0473853 0.1584703), wk = 0.0016892 k( 524) = ( 0.0000000 0.0394878 0.1584703), wk = 0.0016892 k( 525) = ( 0.0000000 0.0315902 0.1584703), wk = 0.0016892 k( 526) = ( 0.0000000 0.0236927 0.1584703), wk = 0.0016892 k( 527) = ( 0.0000000 0.0157951 0.1584703), wk = 0.0016892 k( 528) = ( 0.0000000 0.0078976 0.1584703), wk = 0.0016892 k( 529) = ( 0.0000000 0.0000000 0.1584703), wk = 0.0016892 k( 530) = ( 0.0000000 0.4896484 -0.0000000), wk = 0.0016892 k( 531) = ( 0.0000000 0.4896484 0.0079235), wk = 0.0016892 k( 532) = ( 0.0000000 0.4896484 0.0158470), wk = 0.0016892 k( 533) = ( 0.0000000 0.4896484 0.0237705), wk = 0.0016892 k( 534) = ( 0.0000000 0.4896484 0.0316941), wk = 0.0016892 k( 535) = ( 0.0000000 0.4896484 0.0396176), wk = 0.0016892 k( 536) = ( 0.0000000 0.4896484 0.0475411), wk = 0.0016892 k( 537) = ( 0.0000000 0.4896484 0.0554646), wk = 0.0016892 k( 538) = ( 0.0000000 0.4896484 0.0633881), wk = 0.0016892 k( 539) = ( 0.0000000 0.4896484 0.0713116), wk = 0.0016892 k( 540) = ( 0.0000000 0.4896484 0.0792351), wk = 0.0016892 k( 541) = ( 0.0000000 0.4896484 0.0871587), wk = 0.0016892 k( 542) = ( 0.0000000 0.4896484 0.0950822), wk = 0.0016892 k( 543) = ( 0.0000000 0.4896484 0.1030057), wk = 0.0016892 k( 544) = ( 0.0000000 0.4896484 0.1109292), wk = 0.0016892 k( 545) = ( 0.0000000 0.4896484 0.1188527), wk = 0.0016892 k( 546) = ( 0.0000000 0.4896484 0.1267762), wk = 0.0016892 k( 547) = ( 0.0000000 0.4896484 0.1346997), wk = 0.0016892 k( 548) = ( 0.0000000 0.4896484 0.1426233), wk = 0.0016892 k( 549) = ( 0.0000000 0.4896484 0.1505468), wk = 0.0016892 k( 550) = ( 0.0000000 0.4896484 0.1584703), wk = 0.0016892 k( 551) = ( 0.5000000 -0.0000000 0.1584703), wk = 0.0016892 k( 552) = ( 0.5000000 -0.0000000 0.1505468), wk = 0.0016892 k( 553) = ( 0.5000000 -0.0000000 0.1426233), wk = 0.0016892 k( 554) = ( 0.5000000 -0.0000000 0.1346997), wk = 0.0016892 k( 555) = ( 0.5000000 -0.0000000 0.1267762), wk = 0.0016892 k( 556) = ( 0.5000000 -0.0000000 0.1188527), wk = 0.0016892 k( 557) = ( 0.5000000 -0.0000000 0.1109292), wk = 0.0016892 k( 558) = ( 0.5000000 -0.0000000 0.1030057), wk = 0.0016892 k( 559) = ( 0.5000000 -0.0000000 0.0950822), wk = 0.0016892 k( 560) = ( 0.5000000 -0.0000000 0.0871587), wk = 0.0016892 k( 561) = ( 0.5000000 -0.0000000 0.0792351), wk = 0.0016892 k( 562) = ( 0.5000000 -0.0000000 0.0713116), wk = 0.0016892 k( 563) = ( 0.5000000 -0.0000000 0.0633881), wk = 0.0016892 k( 564) = ( 0.5000000 -0.0000000 0.0554646), wk = 0.0016892 k( 565) = ( 0.5000000 -0.0000000 0.0475411), wk = 0.0016892 k( 566) = ( 0.5000000 -0.0000000 0.0396176), wk = 0.0016892 k( 567) = ( 0.5000000 -0.0000000 0.0316941), wk = 0.0016892 k( 568) = ( 0.5000000 -0.0000000 0.0237705), wk = 0.0016892 k( 569) = ( 0.5000000 -0.0000000 0.0158470), wk = 0.0016892 k( 570) = ( 0.5000000 -0.0000000 0.0079235), wk = 0.0016892 k( 571) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0016892 k( 572) = ( 0.5000000 0.4896484 -0.0000000), wk = 0.0016892 k( 573) = ( 0.5000000 0.4896484 0.0079235), wk = 0.0016892 k( 574) = ( 0.5000000 0.4896484 0.0158470), wk = 0.0016892 k( 575) = ( 0.5000000 0.4896484 0.0237705), wk = 0.0016892 k( 576) = ( 0.5000000 0.4896484 0.0316941), wk = 0.0016892 k( 577) = ( 0.5000000 0.4896484 0.0396176), wk = 0.0016892 k( 578) = ( 0.5000000 0.4896484 0.0475411), wk = 0.0016892 k( 579) = ( 0.5000000 0.4896484 0.0554646), wk = 0.0016892 k( 580) = ( 0.5000000 0.4896484 0.0633881), wk = 0.0016892 k( 581) = ( 0.5000000 0.4896484 0.0713116), wk = 0.0016892 k( 582) = ( 0.5000000 0.4896484 0.0792351), wk = 0.0016892 k( 583) = ( 0.5000000 0.4896484 0.0871587), wk = 0.0016892 k( 584) = ( 0.5000000 0.4896484 0.0950822), wk = 0.0016892 k( 585) = ( 0.5000000 0.4896484 0.1030057), wk = 0.0016892 k( 586) = ( 0.5000000 0.4896484 0.1109292), wk = 0.0016892 k( 587) = ( 0.5000000 0.4896484 0.1188527), wk = 0.0016892 k( 588) = ( 0.5000000 0.4896484 0.1267762), wk = 0.0016892 k( 589) = ( 0.5000000 0.4896484 0.1346997), wk = 0.0016892 k( 590) = ( 0.5000000 0.4896484 0.1426233), wk = 0.0016892 k( 591) = ( 0.5000000 0.4896484 0.1505468), wk = 0.0016892 k( 592) = ( 0.5000000 0.4896484 0.1584703), wk = 0.0016892 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016892 k( 2) = ( 0.0079365 0.0000000 -0.0000000), wk = 0.0016892 k( 3) = ( 0.0158730 0.0000000 -0.0000000), wk = 0.0016892 k( 4) = ( 0.0238095 -0.0000000 0.0000000), wk = 0.0016892 k( 5) = ( 0.0317460 -0.0000000 0.0000000), wk = 0.0016892 k( 6) = ( 0.0396825 0.0000000 -0.0000000), wk = 0.0016892 k( 7) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0016892 k( 8) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0016892 k( 9) = ( 0.0634921 -0.0000000 0.0000000), wk = 0.0016892 k( 10) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0016892 k( 11) = ( 0.0793651 0.0000000 -0.0000000), wk = 0.0016892 k( 12) = ( 0.0873016 0.0000000 0.0000000), wk = 0.0016892 k( 13) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0016892 k( 14) = ( 0.1031746 0.0000000 -0.0000000), wk = 0.0016892 k( 15) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0016892 k( 16) = ( 0.1190476 0.0000000 -0.0000000), wk = 0.0016892 k( 17) = ( 0.1269841 0.0000000 -0.0000000), wk = 0.0016892 k( 18) = ( 0.1349206 0.0000000 -0.0000000), wk = 0.0016892 k( 19) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0016892 k( 20) = ( 0.1507937 -0.0000000 0.0000000), wk = 0.0016892 k( 21) = ( 0.1587302 0.0000000 -0.0000000), wk = 0.0016892 k( 22) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0016892 k( 23) = ( 0.1746032 0.0000000 -0.0000000), wk = 0.0016892 k( 24) = ( 0.1825397 -0.0000000 0.0000000), wk = 0.0016892 k( 25) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0016892 k( 26) = ( 0.1984127 0.0000000 0.0000000), wk = 0.0016892 k( 27) = ( 0.2063492 -0.0000000 -0.0000000), wk = 0.0016892 k( 28) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0016892 k( 29) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0016892 k( 30) = ( 0.2301587 -0.0000000 -0.0000000), wk = 0.0016892 k( 31) = ( 0.2380952 0.0000000 -0.0000000), wk = 0.0016892 k( 32) = ( 0.2460317 -0.0000000 0.0000000), wk = 0.0016892 k( 33) = ( 0.2539683 0.0000000 -0.0000000), wk = 0.0016892 k( 34) = ( 0.2619048 -0.0000000 -0.0000000), wk = 0.0016892 k( 35) = ( 0.2698413 0.0000000 -0.0000000), wk = 0.0016892 k( 36) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0016892 k( 37) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0016892 k( 38) = ( 0.2936508 0.0000000 0.0000000), wk = 0.0016892 k( 39) = ( 0.3015873 -0.0000000 0.0000000), wk = 0.0016892 k( 40) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0016892 k( 41) = ( 0.3174603 0.0000000 -0.0000000), wk = 0.0016892 k( 42) = ( 0.3253968 0.0000000 0.0000000), wk = 0.0016892 k( 43) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0016892 k( 44) = ( 0.3412698 0.0000000 0.0000000), wk = 0.0016892 k( 45) = ( 0.3492063 0.0000000 0.0000000), wk = 0.0016892 k( 46) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0016892 k( 47) = ( 0.3650794 0.0000000 0.0000000), wk = 0.0016892 k( 48) = ( 0.3730159 -0.0000000 0.0000000), wk = 0.0016892 k( 49) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0016892 k( 50) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0016892 k( 51) = ( 0.3968254 0.0000000 0.0000000), wk = 0.0016892 k( 52) = ( 0.4047619 -0.0000000 0.0000000), wk = 0.0016892 k( 53) = ( 0.4126984 -0.0000000 0.0000000), wk = 0.0016892 k( 54) = ( 0.4206349 0.0000000 0.0000000), wk = 0.0016892 k( 55) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0016892 k( 56) = ( 0.4365079 0.0000000 0.0000000), wk = 0.0016892 k( 57) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0016892 k( 58) = ( 0.4523810 0.0000000 -0.0000000), wk = 0.0016892 k( 59) = ( 0.4603175 -0.0000000 -0.0000000), wk = 0.0016892 k( 60) = ( 0.4682540 0.0000000 -0.0000000), wk = 0.0016892 k( 61) = ( 0.4761905 0.0000000 -0.0000000), wk = 0.0016892 k( 62) = ( 0.4841270 -0.0000000 -0.0000000), wk = 0.0016892 k( 63) = ( 0.4920635 0.0000000 -0.0000000), wk = 0.0016892 k( 64) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0016892 k( 65) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0016892 k( 66) = ( 0.5000000 0.0080645 0.0000000), wk = 0.0016892 k( 67) = ( 0.5000000 0.0161290 0.0000000), wk = 0.0016892 k( 68) = ( 0.5000000 0.0241936 0.0000000), wk = 0.0016892 k( 69) = ( 0.5000000 0.0322581 0.0000000), wk = 0.0016892 k( 70) = ( 0.5000000 0.0403226 0.0000000), wk = 0.0016892 k( 71) = ( 0.5000000 0.0483871 0.0000000), wk = 0.0016892 k( 72) = ( 0.5000000 0.0564516 -0.0000000), wk = 0.0016892 k( 73) = ( 0.5000000 0.0645161 0.0000000), wk = 0.0016892 k( 74) = ( 0.5000000 0.0725806 0.0000000), wk = 0.0016892 k( 75) = ( 0.5000000 0.0806452 -0.0000000), wk = 0.0016892 k( 76) = ( 0.5000000 0.0887097 0.0000000), wk = 0.0016892 k( 77) = ( 0.5000000 0.0967742 -0.0000000), wk = 0.0016892 k( 78) = ( 0.5000000 0.1048387 0.0000000), wk = 0.0016892 k( 79) = ( 0.5000000 0.1129032 0.0000000), wk = 0.0016892 k( 80) = ( 0.5000000 0.1209677 0.0000000), wk = 0.0016892 k( 81) = ( 0.5000000 0.1290323 0.0000000), wk = 0.0016892 k( 82) = ( 0.5000000 0.1370968 -0.0000000), wk = 0.0016892 k( 83) = ( 0.5000000 0.1451613 0.0000000), wk = 0.0016892 k( 84) = ( 0.5000000 0.1532258 0.0000000), wk = 0.0016892 k( 85) = ( 0.5000000 0.1612903 -0.0000000), wk = 0.0016892 k( 86) = ( 0.5000000 0.1693548 0.0000000), wk = 0.0016892 k( 87) = ( 0.5000000 0.1774194 0.0000000), wk = 0.0016892 k( 88) = ( 0.5000000 0.1854839 0.0000000), wk = 0.0016892 k( 89) = ( 0.5000000 0.1935484 0.0000000), wk = 0.0016892 k( 90) = ( 0.5000000 0.2016129 0.0000000), wk = 0.0016892 k( 91) = ( 0.5000000 0.2096774 0.0000000), wk = 0.0016892 k( 92) = ( 0.5000000 0.2177419 0.0000000), wk = 0.0016892 k( 93) = ( 0.5000000 0.2258064 0.0000000), wk = 0.0016892 k( 94) = ( 0.5000000 0.2338710 -0.0000000), wk = 0.0016892 k( 95) = ( 0.5000000 0.2419355 0.0000000), wk = 0.0016892 k( 96) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0016892 k( 97) = ( 0.5000000 0.2580645 0.0000000), wk = 0.0016892 k( 98) = ( 0.5000000 0.2661290 -0.0000000), wk = 0.0016892 k( 99) = ( 0.5000000 0.2741936 -0.0000000), wk = 0.0016892 k( 100) = ( 0.5000000 0.2822581 -0.0000000), wk = 0.0016892 k( 101) = ( 0.5000000 0.2903226 0.0000000), wk = 0.0016892 k( 102) = ( 0.5000000 0.2983871 0.0000000), wk = 0.0016892 k( 103) = ( 0.5000000 0.3064516 0.0000000), wk = 0.0016892 k( 104) = ( 0.5000000 0.3145161 0.0000000), wk = 0.0016892 k( 105) = ( 0.5000000 0.3225807 -0.0000000), wk = 0.0016892 k( 106) = ( 0.5000000 0.3306452 0.0000000), wk = 0.0016892 k( 107) = ( 0.5000000 0.3387097 0.0000000), wk = 0.0016892 k( 108) = ( 0.5000000 0.3467742 -0.0000000), wk = 0.0016892 k( 109) = ( 0.5000000 0.3548387 0.0000000), wk = 0.0016892 k( 110) = ( 0.5000000 0.3629032 0.0000000), wk = 0.0016892 k( 111) = ( 0.5000000 0.3709677 0.0000000), wk = 0.0016892 k( 112) = ( 0.5000000 0.3790323 0.0000000), wk = 0.0016892 k( 113) = ( 0.5000000 0.3870968 0.0000000), wk = 0.0016892 k( 114) = ( 0.5000000 0.3951613 0.0000000), wk = 0.0016892 k( 115) = ( 0.5000000 0.4032258 0.0000000), wk = 0.0016892 k( 116) = ( 0.5000000 0.4112903 0.0000000), wk = 0.0016892 k( 117) = ( 0.5000000 0.4193548 0.0000000), wk = 0.0016892 k( 118) = ( 0.5000000 0.4274193 -0.0000000), wk = 0.0016892 k( 119) = ( 0.5000000 0.4354839 0.0000000), wk = 0.0016892 k( 120) = ( 0.5000000 0.4435484 0.0000000), wk = 0.0016892 k( 121) = ( 0.5000000 0.4516129 0.0000000), wk = 0.0016892 k( 122) = ( 0.5000000 0.4596774 0.0000000), wk = 0.0016892 k( 123) = ( 0.5000000 0.4677419 -0.0000000), wk = 0.0016892 k( 124) = ( 0.5000000 0.4758064 0.0000000), wk = 0.0016892 k( 125) = ( 0.5000000 0.4838710 0.0000000), wk = 0.0016892 k( 126) = ( 0.5000000 0.4919355 0.0000000), wk = 0.0016892 k( 127) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0016892 k( 128) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0016892 k( 129) = ( 0.4920635 0.5000000 0.0000000), wk = 0.0016892 k( 130) = ( 0.4841270 0.5000000 0.0000000), wk = 0.0016892 k( 131) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0016892 k( 132) = ( 0.4682540 0.5000000 -0.0000000), wk = 0.0016892 k( 133) = ( 0.4603175 0.5000000 0.0000000), wk = 0.0016892 k( 134) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0016892 k( 135) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0016892 k( 136) = ( 0.4365079 0.5000000 0.0000000), wk = 0.0016892 k( 137) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0016892 k( 138) = ( 0.4206349 0.5000000 -0.0000000), wk = 0.0016892 k( 139) = ( 0.4126984 0.5000000 0.0000000), wk = 0.0016892 k( 140) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0016892 k( 141) = ( 0.3968254 0.5000000 0.0000000), wk = 0.0016892 k( 142) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0016892 k( 143) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0016892 k( 144) = ( 0.3730159 0.5000000 0.0000000), wk = 0.0016892 k( 145) = ( 0.3650794 0.5000000 0.0000000), wk = 0.0016892 k( 146) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0016892 k( 147) = ( 0.3492063 0.5000000 -0.0000000), wk = 0.0016892 k( 148) = ( 0.3412698 0.5000000 0.0000000), wk = 0.0016892 k( 149) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0016892 k( 150) = ( 0.3253968 0.5000000 -0.0000000), wk = 0.0016892 k( 151) = ( 0.3174603 0.5000000 0.0000000), wk = 0.0016892 k( 152) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0016892 k( 153) = ( 0.3015873 0.5000000 0.0000000), wk = 0.0016892 k( 154) = ( 0.2936508 0.5000000 -0.0000000), wk = 0.0016892 k( 155) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0016892 k( 156) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0016892 k( 157) = ( 0.2698413 0.5000000 0.0000000), wk = 0.0016892 k( 158) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0016892 k( 159) = ( 0.2539683 0.5000000 0.0000000), wk = 0.0016892 k( 160) = ( 0.2460317 0.5000000 0.0000000), wk = 0.0016892 k( 161) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0016892 k( 162) = ( 0.2301587 0.5000000 0.0000000), wk = 0.0016892 k( 163) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0016892 k( 164) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0016892 k( 165) = ( 0.2063492 0.5000000 -0.0000000), wk = 0.0016892 k( 166) = ( 0.1984127 0.5000000 0.0000000), wk = 0.0016892 k( 167) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0016892 k( 168) = ( 0.1825397 0.5000000 0.0000000), wk = 0.0016892 k( 169) = ( 0.1746032 0.5000000 -0.0000000), wk = 0.0016892 k( 170) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0016892 k( 171) = ( 0.1587302 0.5000000 0.0000000), wk = 0.0016892 k( 172) = ( 0.1507937 0.5000000 -0.0000000), wk = 0.0016892 k( 173) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0016892 k( 174) = ( 0.1349206 0.5000000 0.0000000), wk = 0.0016892 k( 175) = ( 0.1269841 0.5000000 0.0000000), wk = 0.0016892 k( 176) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0016892 k( 177) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0016892 k( 178) = ( 0.1031746 0.5000000 0.0000000), wk = 0.0016892 k( 179) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0016892 k( 180) = ( 0.0873016 0.5000000 -0.0000000), wk = 0.0016892 k( 181) = ( 0.0793651 0.5000000 0.0000000), wk = 0.0016892 k( 182) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0016892 k( 183) = ( 0.0634921 0.5000000 0.0000000), wk = 0.0016892 k( 184) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0016892 k( 185) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0016892 k( 186) = ( 0.0396825 0.5000000 0.0000000), wk = 0.0016892 k( 187) = ( 0.0317460 0.5000000 0.0000000), wk = 0.0016892 k( 188) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0016892 k( 189) = ( 0.0158730 0.5000000 0.0000000), wk = 0.0016892 k( 190) = ( 0.0079365 0.5000000 0.0000000), wk = 0.0016892 k( 191) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0016892 k( 192) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0016892 k( 193) = ( 0.0000000 0.4919355 0.0000000), wk = 0.0016892 k( 194) = ( 0.0000000 0.4838710 0.0000000), wk = 0.0016892 k( 195) = ( 0.0000000 0.4758064 -0.0000000), wk = 0.0016892 k( 196) = ( 0.0000000 0.4677419 0.0000000), wk = 0.0016892 k( 197) = ( 0.0000000 0.4596774 0.0000000), wk = 0.0016892 k( 198) = ( 0.0000000 0.4516129 0.0000000), wk = 0.0016892 k( 199) = ( 0.0000000 0.4435484 0.0000000), wk = 0.0016892 k( 200) = ( 0.0000000 0.4354839 0.0000000), wk = 0.0016892 k( 201) = ( 0.0000000 0.4274193 0.0000000), wk = 0.0016892 k( 202) = ( 0.0000000 0.4193548 0.0000000), wk = 0.0016892 k( 203) = ( 0.0000000 0.4112903 0.0000000), wk = 0.0016892 k( 204) = ( 0.0000000 0.4032258 0.0000000), wk = 0.0016892 k( 205) = ( 0.0000000 0.3951613 0.0000000), wk = 0.0016892 k( 206) = ( 0.0000000 0.3870968 0.0000000), wk = 0.0016892 k( 207) = ( 0.0000000 0.3790323 0.0000000), wk = 0.0016892 k( 208) = ( 0.0000000 0.3709677 0.0000000), wk = 0.0016892 k( 209) = ( 0.0000000 0.3629032 0.0000000), wk = 0.0016892 k( 210) = ( 0.0000000 0.3548387 0.0000000), wk = 0.0016892 k( 211) = ( 0.0000000 0.3467742 -0.0000000), wk = 0.0016892 k( 212) = ( 0.0000000 0.3387097 0.0000000), wk = 0.0016892 k( 213) = ( 0.0000000 0.3306452 0.0000000), wk = 0.0016892 k( 214) = ( 0.0000000 0.3225807 0.0000000), wk = 0.0016892 k( 215) = ( 0.0000000 0.3145161 0.0000000), wk = 0.0016892 k( 216) = ( 0.0000000 0.3064516 0.0000000), wk = 0.0016892 k( 217) = ( 0.0000000 0.2983871 0.0000000), wk = 0.0016892 k( 218) = ( 0.0000000 0.2903226 -0.0000000), wk = 0.0016892 k( 219) = ( 0.0000000 0.2822581 0.0000000), wk = 0.0016892 k( 220) = ( 0.0000000 0.2741936 0.0000000), wk = 0.0016892 k( 221) = ( 0.0000000 0.2661290 0.0000000), wk = 0.0016892 k( 222) = ( 0.0000000 0.2580645 0.0000000), wk = 0.0016892 k( 223) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0016892 k( 224) = ( 0.0000000 0.2419355 -0.0000000), wk = 0.0016892 k( 225) = ( 0.0000000 0.2338710 0.0000000), wk = 0.0016892 k( 226) = ( 0.0000000 0.2258064 0.0000000), wk = 0.0016892 k( 227) = ( 0.0000000 0.2177419 0.0000000), wk = 0.0016892 k( 228) = ( 0.0000000 0.2096774 0.0000000), wk = 0.0016892 k( 229) = ( 0.0000000 0.2016129 0.0000000), wk = 0.0016892 k( 230) = ( 0.0000000 0.1935484 0.0000000), wk = 0.0016892 k( 231) = ( 0.0000000 0.1854839 0.0000000), wk = 0.0016892 k( 232) = ( 0.0000000 0.1774194 0.0000000), wk = 0.0016892 k( 233) = ( 0.0000000 0.1693548 0.0000000), wk = 0.0016892 k( 234) = ( 0.0000000 0.1612903 0.0000000), wk = 0.0016892 k( 235) = ( 0.0000000 0.1532258 0.0000000), wk = 0.0016892 k( 236) = ( 0.0000000 0.1451613 -0.0000000), wk = 0.0016892 k( 237) = ( 0.0000000 0.1370968 0.0000000), wk = 0.0016892 k( 238) = ( 0.0000000 0.1290323 0.0000000), wk = 0.0016892 k( 239) = ( 0.0000000 0.1209677 -0.0000000), wk = 0.0016892 k( 240) = ( 0.0000000 0.1129032 -0.0000000), wk = 0.0016892 k( 241) = ( 0.0000000 0.1048387 0.0000000), wk = 0.0016892 k( 242) = ( 0.0000000 0.0967742 0.0000000), wk = 0.0016892 k( 243) = ( 0.0000000 0.0887097 -0.0000000), wk = 0.0016892 k( 244) = ( 0.0000000 0.0806452 0.0000000), wk = 0.0016892 k( 245) = ( 0.0000000 0.0725806 0.0000000), wk = 0.0016892 k( 246) = ( 0.0000000 0.0645161 0.0000000), wk = 0.0016892 k( 247) = ( 0.0000000 0.0564516 0.0000000), wk = 0.0016892 k( 248) = ( 0.0000000 0.0483871 0.0000000), wk = 0.0016892 k( 249) = ( 0.0000000 0.0403226 0.0000000), wk = 0.0016892 k( 250) = ( 0.0000000 0.0322581 0.0000000), wk = 0.0016892 k( 251) = ( 0.0000000 0.0241936 0.0000000), wk = 0.0016892 k( 252) = ( 0.0000000 0.0161290 0.0000000), wk = 0.0016892 k( 253) = ( 0.0000000 0.0080645 0.0000000), wk = 0.0016892 k( 254) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016892 k( 255) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0016892 k( 256) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0016892 k( 257) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0016892 k( 258) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0016892 k( 259) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0016892 k( 260) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0016892 k( 261) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0016892 k( 262) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0016892 k( 263) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0016892 k( 264) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0016892 k( 265) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0016892 k( 266) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0016892 k( 267) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0016892 k( 268) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0016892 k( 269) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0016892 k( 270) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0016892 k( 271) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0016892 k( 272) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0016892 k( 273) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0016892 k( 274) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0016892 k( 275) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0016892 k( 276) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0016892 k( 277) = ( 0.0079365 0.0000000 0.5000000), wk = 0.0016892 k( 278) = ( 0.0158730 0.0000000 0.5000000), wk = 0.0016892 k( 279) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0016892 k( 280) = ( 0.0317460 -0.0000000 0.5000000), wk = 0.0016892 k( 281) = ( 0.0396825 0.0000000 0.5000000), wk = 0.0016892 k( 282) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0016892 k( 283) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0016892 k( 284) = ( 0.0634921 -0.0000000 0.5000000), wk = 0.0016892 k( 285) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0016892 k( 286) = ( 0.0793651 0.0000000 0.5000000), wk = 0.0016892 k( 287) = ( 0.0873016 0.0000000 0.5000000), wk = 0.0016892 k( 288) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0016892 k( 289) = ( 0.1031746 0.0000000 0.5000000), wk = 0.0016892 k( 290) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0016892 k( 291) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0016892 k( 292) = ( 0.1269841 0.0000000 0.5000000), wk = 0.0016892 k( 293) = ( 0.1349206 0.0000000 0.5000000), wk = 0.0016892 k( 294) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0016892 k( 295) = ( 0.1507937 -0.0000000 0.5000000), wk = 0.0016892 k( 296) = ( 0.1587302 0.0000000 0.5000000), wk = 0.0016892 k( 297) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0016892 k( 298) = ( 0.1746032 0.0000000 0.5000000), wk = 0.0016892 k( 299) = ( 0.1825397 -0.0000000 0.5000000), wk = 0.0016892 k( 300) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0016892 k( 301) = ( 0.1984127 0.0000000 0.5000000), wk = 0.0016892 k( 302) = ( 0.2063492 -0.0000000 0.5000000), wk = 0.0016892 k( 303) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0016892 k( 304) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0016892 k( 305) = ( 0.2301587 -0.0000000 0.5000000), wk = 0.0016892 k( 306) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0016892 k( 307) = ( 0.2460317 -0.0000000 0.5000000), wk = 0.0016892 k( 308) = ( 0.2539683 0.0000000 0.5000000), wk = 0.0016892 k( 309) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0016892 k( 310) = ( 0.2698413 0.0000000 0.5000000), wk = 0.0016892 k( 311) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0016892 k( 312) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0016892 k( 313) = ( 0.2936508 0.0000000 0.5000000), wk = 0.0016892 k( 314) = ( 0.3015873 -0.0000000 0.5000000), wk = 0.0016892 k( 315) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0016892 k( 316) = ( 0.3174603 0.0000000 0.5000000), wk = 0.0016892 k( 317) = ( 0.3253968 0.0000000 0.5000000), wk = 0.0016892 k( 318) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0016892 k( 319) = ( 0.3412698 0.0000000 0.5000000), wk = 0.0016892 k( 320) = ( 0.3492063 0.0000000 0.5000000), wk = 0.0016892 k( 321) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0016892 k( 322) = ( 0.3650794 0.0000000 0.5000000), wk = 0.0016892 k( 323) = ( 0.3730159 -0.0000000 0.5000000), wk = 0.0016892 k( 324) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0016892 k( 325) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0016892 k( 326) = ( 0.3968254 0.0000000 0.5000000), wk = 0.0016892 k( 327) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0016892 k( 328) = ( 0.4126984 -0.0000000 0.5000000), wk = 0.0016892 k( 329) = ( 0.4206349 0.0000000 0.5000000), wk = 0.0016892 k( 330) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0016892 k( 331) = ( 0.4365079 0.0000000 0.5000000), wk = 0.0016892 k( 332) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0016892 k( 333) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0016892 k( 334) = ( 0.4603175 -0.0000000 0.5000000), wk = 0.0016892 k( 335) = ( 0.4682540 0.0000000 0.5000000), wk = 0.0016892 k( 336) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0016892 k( 337) = ( 0.4841270 -0.0000000 0.5000000), wk = 0.0016892 k( 338) = ( 0.4920635 0.0000000 0.5000000), wk = 0.0016892 k( 339) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0016892 k( 340) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0016892 k( 341) = ( 0.5000000 0.0080645 0.5000000), wk = 0.0016892 k( 342) = ( 0.5000000 0.0161290 0.5000000), wk = 0.0016892 k( 343) = ( 0.5000000 0.0241936 0.5000000), wk = 0.0016892 k( 344) = ( 0.5000000 0.0322581 0.5000000), wk = 0.0016892 k( 345) = ( 0.5000000 0.0403226 0.5000000), wk = 0.0016892 k( 346) = ( 0.5000000 0.0483871 0.5000000), wk = 0.0016892 k( 347) = ( 0.5000000 0.0564516 0.5000000), wk = 0.0016892 k( 348) = ( 0.5000000 0.0645161 0.5000000), wk = 0.0016892 k( 349) = ( 0.5000000 0.0725806 0.5000000), wk = 0.0016892 k( 350) = ( 0.5000000 0.0806452 0.5000000), wk = 0.0016892 k( 351) = ( 0.5000000 0.0887097 0.5000000), wk = 0.0016892 k( 352) = ( 0.5000000 0.0967742 0.5000000), wk = 0.0016892 k( 353) = ( 0.5000000 0.1048387 0.5000000), wk = 0.0016892 k( 354) = ( 0.5000000 0.1129032 0.5000000), wk = 0.0016892 k( 355) = ( 0.5000000 0.1209677 0.5000000), wk = 0.0016892 k( 356) = ( 0.5000000 0.1290323 0.5000000), wk = 0.0016892 k( 357) = ( 0.5000000 0.1370968 0.5000000), wk = 0.0016892 k( 358) = ( 0.5000000 0.1451613 0.5000000), wk = 0.0016892 k( 359) = ( 0.5000000 0.1532258 0.5000000), wk = 0.0016892 k( 360) = ( 0.5000000 0.1612903 0.5000000), wk = 0.0016892 k( 361) = ( 0.5000000 0.1693548 0.5000000), wk = 0.0016892 k( 362) = ( 0.5000000 0.1774194 0.5000000), wk = 0.0016892 k( 363) = ( 0.5000000 0.1854839 0.5000000), wk = 0.0016892 k( 364) = ( 0.5000000 0.1935484 0.5000000), wk = 0.0016892 k( 365) = ( 0.5000000 0.2016129 0.5000000), wk = 0.0016892 k( 366) = ( 0.5000000 0.2096774 0.5000000), wk = 0.0016892 k( 367) = ( 0.5000000 0.2177419 0.5000000), wk = 0.0016892 k( 368) = ( 0.5000000 0.2258064 0.5000000), wk = 0.0016892 k( 369) = ( 0.5000000 0.2338710 0.5000000), wk = 0.0016892 k( 370) = ( 0.5000000 0.2419355 0.5000000), wk = 0.0016892 k( 371) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0016892 k( 372) = ( 0.5000000 0.2580645 0.5000000), wk = 0.0016892 k( 373) = ( 0.5000000 0.2661290 0.5000000), wk = 0.0016892 k( 374) = ( 0.5000000 0.2741936 0.5000000), wk = 0.0016892 k( 375) = ( 0.5000000 0.2822581 0.5000000), wk = 0.0016892 k( 376) = ( 0.5000000 0.2903226 0.5000000), wk = 0.0016892 k( 377) = ( 0.5000000 0.2983871 0.5000000), wk = 0.0016892 k( 378) = ( 0.5000000 0.3064516 0.5000000), wk = 0.0016892 k( 379) = ( 0.5000000 0.3145161 0.5000000), wk = 0.0016892 k( 380) = ( 0.5000000 0.3225807 0.5000000), wk = 0.0016892 k( 381) = ( 0.5000000 0.3306452 0.5000000), wk = 0.0016892 k( 382) = ( 0.5000000 0.3387097 0.5000000), wk = 0.0016892 k( 383) = ( 0.5000000 0.3467742 0.5000000), wk = 0.0016892 k( 384) = ( 0.5000000 0.3548387 0.5000000), wk = 0.0016892 k( 385) = ( 0.5000000 0.3629032 0.5000000), wk = 0.0016892 k( 386) = ( 0.5000000 0.3709677 0.5000000), wk = 0.0016892 k( 387) = ( 0.5000000 0.3790323 0.5000000), wk = 0.0016892 k( 388) = ( 0.5000000 0.3870968 0.5000000), wk = 0.0016892 k( 389) = ( 0.5000000 0.3951613 0.5000000), wk = 0.0016892 k( 390) = ( 0.5000000 0.4032258 0.5000000), wk = 0.0016892 k( 391) = ( 0.5000000 0.4112903 0.5000000), wk = 0.0016892 k( 392) = ( 0.5000000 0.4193548 0.5000000), wk = 0.0016892 k( 393) = ( 0.5000000 0.4274193 0.5000000), wk = 0.0016892 k( 394) = ( 0.5000000 0.4354839 0.5000000), wk = 0.0016892 k( 395) = ( 0.5000000 0.4435484 0.5000000), wk = 0.0016892 k( 396) = ( 0.5000000 0.4516129 0.5000000), wk = 0.0016892 k( 397) = ( 0.5000000 0.4596774 0.5000000), wk = 0.0016892 k( 398) = ( 0.5000000 0.4677419 0.5000000), wk = 0.0016892 k( 399) = ( 0.5000000 0.4758064 0.5000000), wk = 0.0016892 k( 400) = ( 0.5000000 0.4838710 0.5000000), wk = 0.0016892 k( 401) = ( 0.5000000 0.4919355 0.5000000), wk = 0.0016892 k( 402) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0016892 k( 403) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0016892 k( 404) = ( 0.4920635 0.5000000 0.5000000), wk = 0.0016892 k( 405) = ( 0.4841270 0.5000000 0.5000000), wk = 0.0016892 k( 406) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0016892 k( 407) = ( 0.4682540 0.5000000 0.5000000), wk = 0.0016892 k( 408) = ( 0.4603175 0.5000000 0.5000000), wk = 0.0016892 k( 409) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0016892 k( 410) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0016892 k( 411) = ( 0.4365079 0.5000000 0.5000000), wk = 0.0016892 k( 412) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0016892 k( 413) = ( 0.4206349 0.5000000 0.5000000), wk = 0.0016892 k( 414) = ( 0.4126984 0.5000000 0.5000000), wk = 0.0016892 k( 415) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0016892 k( 416) = ( 0.3968254 0.5000000 0.5000000), wk = 0.0016892 k( 417) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0016892 k( 418) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0016892 k( 419) = ( 0.3730159 0.5000000 0.5000000), wk = 0.0016892 k( 420) = ( 0.3650794 0.5000000 0.5000000), wk = 0.0016892 k( 421) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0016892 k( 422) = ( 0.3492063 0.5000000 0.5000000), wk = 0.0016892 k( 423) = ( 0.3412698 0.5000000 0.5000000), wk = 0.0016892 k( 424) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0016892 k( 425) = ( 0.3253968 0.5000000 0.5000000), wk = 0.0016892 k( 426) = ( 0.3174603 0.5000000 0.5000000), wk = 0.0016892 k( 427) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0016892 k( 428) = ( 0.3015873 0.5000000 0.5000000), wk = 0.0016892 k( 429) = ( 0.2936508 0.5000000 0.5000000), wk = 0.0016892 k( 430) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0016892 k( 431) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0016892 k( 432) = ( 0.2698413 0.5000000 0.5000000), wk = 0.0016892 k( 433) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0016892 k( 434) = ( 0.2539683 0.5000000 0.5000000), wk = 0.0016892 k( 435) = ( 0.2460317 0.5000000 0.5000000), wk = 0.0016892 k( 436) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0016892 k( 437) = ( 0.2301587 0.5000000 0.5000000), wk = 0.0016892 k( 438) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0016892 k( 439) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0016892 k( 440) = ( 0.2063492 0.5000000 0.5000000), wk = 0.0016892 k( 441) = ( 0.1984127 0.5000000 0.5000000), wk = 0.0016892 k( 442) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0016892 k( 443) = ( 0.1825397 0.5000000 0.5000000), wk = 0.0016892 k( 444) = ( 0.1746032 0.5000000 0.5000000), wk = 0.0016892 k( 445) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0016892 k( 446) = ( 0.1587302 0.5000000 0.5000000), wk = 0.0016892 k( 447) = ( 0.1507937 0.5000000 0.5000000), wk = 0.0016892 k( 448) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0016892 k( 449) = ( 0.1349206 0.5000000 0.5000000), wk = 0.0016892 k( 450) = ( 0.1269841 0.5000000 0.5000000), wk = 0.0016892 k( 451) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0016892 k( 452) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0016892 k( 453) = ( 0.1031746 0.5000000 0.5000000), wk = 0.0016892 k( 454) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0016892 k( 455) = ( 0.0873016 0.5000000 0.5000000), wk = 0.0016892 k( 456) = ( 0.0793651 0.5000000 0.5000000), wk = 0.0016892 k( 457) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0016892 k( 458) = ( 0.0634921 0.5000000 0.5000000), wk = 0.0016892 k( 459) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0016892 k( 460) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0016892 k( 461) = ( 0.0396825 0.5000000 0.5000000), wk = 0.0016892 k( 462) = ( 0.0317460 0.5000000 0.5000000), wk = 0.0016892 k( 463) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0016892 k( 464) = ( 0.0158730 0.5000000 0.5000000), wk = 0.0016892 k( 465) = ( 0.0079365 0.5000000 0.5000000), wk = 0.0016892 k( 466) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0016892 k( 467) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0016892 k( 468) = ( 0.0000000 0.4919355 0.5000000), wk = 0.0016892 k( 469) = ( 0.0000000 0.4838710 0.5000000), wk = 0.0016892 k( 470) = ( 0.0000000 0.4758064 0.5000000), wk = 0.0016892 k( 471) = ( 0.0000000 0.4677419 0.5000000), wk = 0.0016892 k( 472) = ( 0.0000000 0.4596774 0.5000000), wk = 0.0016892 k( 473) = ( 0.0000000 0.4516129 0.5000000), wk = 0.0016892 k( 474) = ( 0.0000000 0.4435484 0.5000000), wk = 0.0016892 k( 475) = ( 0.0000000 0.4354839 0.5000000), wk = 0.0016892 k( 476) = ( 0.0000000 0.4274193 0.5000000), wk = 0.0016892 k( 477) = ( 0.0000000 0.4193548 0.5000000), wk = 0.0016892 k( 478) = ( 0.0000000 0.4112903 0.5000000), wk = 0.0016892 k( 479) = ( 0.0000000 0.4032258 0.5000000), wk = 0.0016892 k( 480) = ( 0.0000000 0.3951613 0.5000000), wk = 0.0016892 k( 481) = ( 0.0000000 0.3870968 0.5000000), wk = 0.0016892 k( 482) = ( 0.0000000 0.3790323 0.5000000), wk = 0.0016892 k( 483) = ( 0.0000000 0.3709677 0.5000000), wk = 0.0016892 k( 484) = ( 0.0000000 0.3629032 0.5000000), wk = 0.0016892 k( 485) = ( 0.0000000 0.3548387 0.5000000), wk = 0.0016892 k( 486) = ( 0.0000000 0.3467742 0.5000000), wk = 0.0016892 k( 487) = ( 0.0000000 0.3387097 0.5000000), wk = 0.0016892 k( 488) = ( 0.0000000 0.3306452 0.5000000), wk = 0.0016892 k( 489) = ( 0.0000000 0.3225807 0.5000000), wk = 0.0016892 k( 490) = ( 0.0000000 0.3145161 0.5000000), wk = 0.0016892 k( 491) = ( 0.0000000 0.3064516 0.5000000), wk = 0.0016892 k( 492) = ( 0.0000000 0.2983871 0.5000000), wk = 0.0016892 k( 493) = ( 0.0000000 0.2903226 0.5000000), wk = 0.0016892 k( 494) = ( 0.0000000 0.2822581 0.5000000), wk = 0.0016892 k( 495) = ( 0.0000000 0.2741936 0.5000000), wk = 0.0016892 k( 496) = ( 0.0000000 0.2661290 0.5000000), wk = 0.0016892 k( 497) = ( 0.0000000 0.2580645 0.5000000), wk = 0.0016892 k( 498) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0016892 k( 499) = ( 0.0000000 0.2419355 0.5000000), wk = 0.0016892 k( 500) = ( 0.0000000 0.2338710 0.5000000), wk = 0.0016892 k( 501) = ( 0.0000000 0.2258064 0.5000000), wk = 0.0016892 k( 502) = ( 0.0000000 0.2177419 0.5000000), wk = 0.0016892 k( 503) = ( 0.0000000 0.2096774 0.5000000), wk = 0.0016892 k( 504) = ( 0.0000000 0.2016129 0.5000000), wk = 0.0016892 k( 505) = ( 0.0000000 0.1935484 0.5000000), wk = 0.0016892 k( 506) = ( 0.0000000 0.1854839 0.5000000), wk = 0.0016892 k( 507) = ( 0.0000000 0.1774194 0.5000000), wk = 0.0016892 k( 508) = ( 0.0000000 0.1693548 0.5000000), wk = 0.0016892 k( 509) = ( 0.0000000 0.1612903 0.5000000), wk = 0.0016892 k( 510) = ( 0.0000000 0.1532258 0.5000000), wk = 0.0016892 k( 511) = ( 0.0000000 0.1451613 0.5000000), wk = 0.0016892 k( 512) = ( 0.0000000 0.1370968 0.5000000), wk = 0.0016892 k( 513) = ( 0.0000000 0.1290323 0.5000000), wk = 0.0016892 k( 514) = ( 0.0000000 0.1209677 0.5000000), wk = 0.0016892 k( 515) = ( 0.0000000 0.1129032 0.5000000), wk = 0.0016892 k( 516) = ( 0.0000000 0.1048387 0.5000000), wk = 0.0016892 k( 517) = ( 0.0000000 0.0967742 0.5000000), wk = 0.0016892 k( 518) = ( 0.0000000 0.0887097 0.5000000), wk = 0.0016892 k( 519) = ( 0.0000000 0.0806452 0.5000000), wk = 0.0016892 k( 520) = ( 0.0000000 0.0725806 0.5000000), wk = 0.0016892 k( 521) = ( 0.0000000 0.0645161 0.5000000), wk = 0.0016892 k( 522) = ( 0.0000000 0.0564516 0.5000000), wk = 0.0016892 k( 523) = ( 0.0000000 0.0483871 0.5000000), wk = 0.0016892 k( 524) = ( 0.0000000 0.0403226 0.5000000), wk = 0.0016892 k( 525) = ( 0.0000000 0.0322581 0.5000000), wk = 0.0016892 k( 526) = ( 0.0000000 0.0241936 0.5000000), wk = 0.0016892 k( 527) = ( 0.0000000 0.0161290 0.5000000), wk = 0.0016892 k( 528) = ( 0.0000000 0.0080645 0.5000000), wk = 0.0016892 k( 529) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0016892 k( 530) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0016892 k( 531) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0016892 k( 532) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0016892 k( 533) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0016892 k( 534) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0016892 k( 535) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0016892 k( 536) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0016892 k( 537) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0016892 k( 538) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0016892 k( 539) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0016892 k( 540) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0016892 k( 541) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0016892 k( 542) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0016892 k( 543) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0016892 k( 544) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0016892 k( 545) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0016892 k( 546) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0016892 k( 547) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0016892 k( 548) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0016892 k( 549) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0016892 k( 550) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0016892 k( 551) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0016892 k( 552) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0016892 k( 553) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0016892 k( 554) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0016892 k( 555) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0016892 k( 556) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0016892 k( 557) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0016892 k( 558) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0016892 k( 559) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0016892 k( 560) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0016892 k( 561) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0016892 k( 562) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0016892 k( 563) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0016892 k( 564) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0016892 k( 565) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0016892 k( 566) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0016892 k( 567) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0016892 k( 568) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0016892 k( 569) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0016892 k( 570) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0016892 k( 571) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0016892 k( 572) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0016892 k( 573) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0016892 k( 574) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0016892 k( 575) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0016892 k( 576) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0016892 k( 577) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0016892 k( 578) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0016892 k( 579) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0016892 k( 580) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0016892 k( 581) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0016892 k( 582) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0016892 k( 583) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0016892 k( 584) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0016892 k( 585) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0016892 k( 586) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0016892 k( 587) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0016892 k( 588) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0016892 k( 589) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0016892 k( 590) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0016892 k( 591) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0016892 k( 592) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0016892 Dense grid: 34223 G-vectors FFT dimensions: ( 27, 27, 90) Smooth grid: 13495 G-vectors FFT dimensions: ( 24, 24, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 64, 38) NL pseudopotentials 0.05 Mb ( 32, 112) Each V/rho on FFT grid 0.02 Mb ( 1458) Each G-vector array 0.01 Mb ( 710) G-vector shells 0.00 Mb ( 338) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 64, 152) Each subspace H/S matrix 0.35 Mb ( 152, 152) Each matrix 0.13 Mb ( 112, 2, 38) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./B2CN.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.2 secs Computing kpt #: 2 total cpu time spent up to now is 43.1 secs Computing kpt #: 3 total cpu time spent up to now is 44.1 secs Computing kpt #: 4 total cpu time spent up to now is 45.1 secs Computing kpt #: 5 total cpu time spent up to now is 46.2 secs Computing kpt #: 6 total cpu time spent up to now is 47.3 secs Computing kpt #: 7 total cpu time spent up to now is 48.7 secs Computing kpt #: 8 total cpu time spent up to now is 50.2 secs Computing kpt #: 9 total cpu time spent up to now is 51.7 secs Computing kpt #: 10 total cpu time spent up to now is 53.2 secs Computing kpt #: 11 total cpu time spent up to now is 54.2 secs Computing kpt #: 12 total cpu time spent up to now is 55.5 secs Computing kpt #: 13 total cpu time spent up to now is 56.5 secs Computing kpt #: 14 total cpu time spent up to now is 57.5 secs Computing kpt #: 15 total cpu time spent up to now is 58.6 secs Computing kpt #: 16 total cpu time spent up to now is 59.5 secs Computing kpt #: 17 total cpu time spent up to now is 60.9 secs Computing kpt #: 18 total cpu time spent up to now is 62.0 secs Computing kpt #: 19 total cpu time spent up to now is 63.0 secs Computing kpt #: 20 total cpu time spent up to now is 64.0 secs Computing kpt #: 21 total cpu time spent up to now is 64.8 secs Computing kpt #: 22 total cpu time spent up to now is 65.7 secs Computing kpt #: 23 total cpu time spent up to now is 66.5 secs Computing kpt #: 24 total cpu time spent up to now is 67.4 secs Computing kpt #: 25 total cpu time spent up to now is 68.2 secs Computing kpt #: 26 total cpu time spent up to now is 69.0 secs Computing kpt #: 27 total cpu time spent up to now is 69.8 secs Computing kpt #: 28 total cpu time spent up to now is 70.5 secs Computing kpt #: 29 total cpu time spent up to now is 71.3 secs Computing kpt #: 30 total cpu time spent up to now is 72.2 secs Computing kpt #: 31 total cpu time spent up to now is 73.0 secs Computing kpt #: 32 total cpu time spent up to now is 73.8 secs Computing kpt #: 33 total cpu time spent up to now is 74.6 secs Computing kpt #: 34 total cpu time spent up to now is 75.5 secs Computing kpt #: 35 total cpu time spent up to now is 77.5 secs Computing kpt #: 36 total cpu time spent up to now is 78.9 secs Computing kpt #: 37 total cpu time spent up to now is 80.0 secs Computing kpt #: 38 total cpu time spent up to now is 81.0 secs Computing kpt #: 39 total cpu time spent up to now is 82.0 secs Computing kpt #: 40 total cpu time spent up to now is 83.1 secs Computing kpt #: 41 total cpu time spent up to now is 84.1 secs Computing kpt #: 42 total cpu time spent up to now is 85.0 secs Computing kpt #: 43 total cpu time spent up to now is 86.0 secs Computing kpt #: 44 total cpu time spent up to now is 86.8 secs Computing kpt #: 45 total cpu time spent up to now is 87.6 secs Computing kpt #: 46 total cpu time spent up to now is 88.5 secs Computing kpt #: 47 total cpu time spent up to now is 89.3 secs Computing kpt #: 48 total cpu time spent up to now is 90.1 secs Computing kpt #: 49 total cpu time spent up to now is 90.9 secs Computing kpt #: 50 total cpu time spent up to now is 91.6 secs Computing kpt #: 51 total cpu time spent up to now is 92.4 secs Computing kpt #: 52 total cpu time spent up to now is 93.2 secs Computing kpt #: 53 total cpu time spent up to now is 94.0 secs Computing kpt #: 54 total cpu time spent up to now is 94.8 secs Computing kpt #: 55 total cpu time spent up to now is 95.7 secs Computing kpt #: 56 total cpu time spent up to now is 96.5 secs Computing kpt #: 57 total cpu time spent up to now is 97.4 secs Computing kpt #: 58 total cpu time spent up to now is 98.2 secs Computing kpt #: 59 total cpu time spent up to now is 99.1 secs Computing kpt #: 60 total cpu time spent up to now is 99.8 secs Computing kpt #: 61 total cpu time spent up to now is 100.6 secs Computing kpt #: 62 total cpu time spent up to now is 101.5 secs Computing kpt #: 63 total cpu time spent up to now is 102.3 secs Computing kpt #: 64 total cpu time spent up to now is 103.1 secs Computing kpt #: 65 total cpu time spent up to now is 103.8 secs Computing kpt #: 66 total cpu time spent up to now is 104.6 secs Computing kpt #: 67 total cpu time spent up to now is 105.4 secs Computing kpt #: 68 total cpu time spent up to now is 106.3 secs Computing kpt #: 69 total cpu time spent up to now is 107.2 secs Computing kpt #: 70 total cpu time spent up to now is 108.1 secs Computing kpt #: 71 total cpu time spent up to now is 109.2 secs Computing kpt #: 72 total cpu time spent up to now is 110.1 secs Computing kpt #: 73 total cpu time spent up to now is 111.0 secs Computing kpt #: 74 total cpu time spent up to now is 111.9 secs Computing kpt #: 75 total cpu time spent up to now is 113.0 secs Computing kpt #: 76 total cpu time spent up to now is 113.9 secs Computing kpt #: 77 total cpu time spent up to now is 114.7 secs Computing kpt #: 78 total cpu time spent up to now is 115.5 secs Computing kpt #: 79 total cpu time spent up to now is 116.4 secs Computing kpt #: 80 total cpu time spent up to now is 117.2 secs Computing kpt #: 81 total cpu time spent up to now is 118.0 secs Computing kpt #: 82 total cpu time spent up to now is 118.8 secs Computing kpt #: 83 total cpu time spent up to now is 119.7 secs Computing kpt #: 84 total cpu time spent up to now is 120.5 secs Computing kpt #: 85 total cpu time spent up to now is 121.3 secs Computing kpt #: 86 total cpu time spent up to now is 122.1 secs Computing kpt #: 87 total cpu time spent up to now is 122.9 secs Computing kpt #: 88 total cpu time spent up to now is 123.7 secs Computing kpt #: 89 total cpu time spent up to now is 124.5 secs Computing kpt #: 90 total cpu time spent up to now is 125.3 secs Computing kpt #: 91 total cpu time spent up to now is 126.1 secs Computing kpt #: 92 total cpu time spent up to now is 127.0 secs Computing kpt #: 93 total cpu time spent up to now is 127.8 secs Computing kpt #: 94 total cpu time spent up to now is 128.6 secs Computing kpt #: 95 total cpu time spent up to now is 129.4 secs Computing kpt #: 96 total cpu time spent up to now is 130.3 secs Computing kpt #: 97 total cpu time spent up to now is 131.2 secs Computing kpt #: 98 total cpu time spent up to now is 132.1 secs Computing kpt #: 99 total cpu time spent up to now is 132.9 secs Computing kpt #: 100 total cpu time spent up to now is 133.7 secs Computing kpt #: 101 total cpu time spent up to now is 134.6 secs Computing kpt #: 102 total cpu time spent up to now is 135.5 secs Computing kpt #: 103 total cpu time spent up to now is 136.3 secs Computing kpt #: 104 total cpu time spent up to now is 137.1 secs Computing kpt #: 105 total cpu time spent up to now is 138.0 secs Computing kpt #: 106 total cpu time spent up to now is 138.8 secs Computing kpt #: 107 total cpu time spent up to now is 139.7 secs Computing kpt #: 108 total cpu time spent up to now is 140.6 secs Computing kpt #: 109 total cpu time spent up to now is 141.4 secs Computing kpt #: 110 total cpu time spent up to now is 142.2 secs Computing kpt #: 111 total cpu time spent up to now is 142.9 secs Computing kpt #: 112 total cpu time spent up to now is 143.7 secs Computing kpt #: 113 total cpu time spent up to now is 144.5 secs Computing kpt #: 114 total cpu time spent up to now is 145.1 secs Computing kpt #: 115 total cpu time spent up to now is 145.7 secs Computing kpt #: 116 total cpu time spent up to now is 146.4 secs Computing kpt #: 117 total cpu time spent up to now is 147.1 secs Computing kpt #: 118 total cpu time spent up to now is 147.7 secs Computing kpt #: 119 total cpu time spent up to now is 148.4 secs Computing kpt #: 120 total cpu time spent up to now is 149.0 secs Computing kpt #: 121 total cpu time spent up to now is 149.7 secs Computing kpt #: 122 total cpu time spent up to now is 150.2 secs Computing kpt #: 123 total cpu time spent up to now is 150.8 secs Computing kpt #: 124 total cpu time spent up to now is 151.4 secs Computing kpt #: 125 total cpu time spent up to now is 152.0 secs Computing kpt #: 126 total cpu time spent up to now is 152.6 secs Computing kpt #: 127 total cpu time spent up to now is 153.2 secs Computing kpt #: 128 total cpu time spent up to now is 153.7 secs Computing kpt #: 129 total cpu time spent up to now is 154.4 secs Computing kpt #: 130 total cpu time spent up to now is 155.0 secs Computing kpt #: 131 total cpu time spent up to now is 155.6 secs Computing kpt #: 132 total cpu time spent up to now is 156.2 secs Computing kpt #: 133 total cpu time spent up to now is 156.8 secs Computing kpt #: 134 total cpu time spent up to now is 157.4 secs Computing kpt #: 135 total cpu time spent up to now is 157.9 secs Computing kpt #: 136 total cpu time spent up to now is 158.5 secs Computing kpt #: 137 total cpu time spent up to now is 159.1 secs Computing kpt #: 138 total cpu time spent up to now is 159.7 secs Computing kpt #: 139 total cpu time spent up to now is 160.2 secs Computing kpt #: 140 total cpu time spent up to now is 161.0 secs Computing kpt #: 141 total cpu time spent up to now is 161.7 secs Computing kpt #: 142 total cpu time spent up to now is 162.3 secs Computing kpt #: 143 total cpu time spent up to now is 163.0 secs Computing kpt #: 144 total cpu time spent up to now is 163.7 secs Computing kpt #: 145 total cpu time spent up to now is 164.4 secs Computing kpt #: 146 total cpu time spent up to now is 165.1 secs Computing kpt #: 147 total cpu time spent up to now is 165.8 secs Computing kpt #: 148 total cpu time spent up to now is 166.6 secs Computing kpt #: 149 total cpu time spent up to now is 167.4 secs Computing kpt #: 150 total cpu time spent up to now is 168.3 secs Computing kpt #: 151 total cpu time spent up to now is 169.1 secs Computing kpt #: 152 total cpu time spent up to now is 169.9 secs Computing kpt #: 153 total cpu time spent up to now is 170.7 secs Computing kpt #: 154 total cpu time spent up to now is 171.6 secs Computing kpt #: 155 total cpu time spent up to now is 172.4 secs Computing kpt #: 156 total cpu time spent up to now is 173.2 secs Computing kpt #: 157 total cpu time spent up to now is 174.0 secs Computing kpt #: 158 total cpu time spent up to now is 174.7 secs Computing kpt #: 159 total cpu time spent up to now is 175.4 secs Computing kpt #: 160 total cpu time spent up to now is 176.1 secs Computing kpt #: 161 total cpu time spent up to now is 176.8 secs Computing kpt #: 162 total cpu time spent up to now is 177.5 secs Computing kpt #: 163 total cpu time spent up to now is 178.2 secs Computing kpt #: 164 total cpu time spent up to now is 178.9 secs Computing kpt #: 165 total cpu time spent up to now is 179.6 secs Computing kpt #: 166 total cpu time spent up to now is 180.4 secs Computing kpt #: 167 total cpu time spent up to now is 181.1 secs Computing kpt #: 168 total cpu time spent up to now is 181.9 secs Computing kpt #: 169 total cpu time spent up to now is 182.7 secs Computing kpt #: 170 total cpu time spent up to now is 183.5 secs Computing kpt #: 171 total cpu time spent up to now is 184.3 secs Computing kpt #: 172 total cpu time spent up to now is 185.2 secs Computing kpt #: 173 total cpu time spent up to now is 186.1 secs Computing kpt #: 174 total cpu time spent up to now is 187.0 secs Computing kpt #: 175 total cpu time spent up to now is 188.0 secs Computing kpt #: 176 total cpu time spent up to now is 188.8 secs Computing kpt #: 177 total cpu time spent up to now is 189.7 secs Computing kpt #: 178 total cpu time spent up to now is 190.7 secs Computing kpt #: 179 total cpu time spent up to now is 191.7 secs Computing kpt #: 180 total cpu time spent up to now is 192.6 secs Computing kpt #: 181 total cpu time spent up to now is 193.6 secs Computing kpt #: 182 total cpu time spent up to now is 194.5 secs Computing kpt #: 183 total cpu time spent up to now is 195.4 secs Computing kpt #: 184 total cpu time spent up to now is 196.4 secs Computing kpt #: 185 total cpu time spent up to now is 197.3 secs Computing kpt #: 186 total cpu time spent up to now is 198.2 secs Computing kpt #: 187 total cpu time spent up to now is 199.1 secs Computing kpt #: 188 total cpu time spent up to now is 200.1 secs Computing kpt #: 189 total cpu time spent up to now is 201.0 secs Computing kpt #: 190 total cpu time spent up to now is 201.9 secs Computing kpt #: 191 total cpu time spent up to now is 202.9 secs Computing kpt #: 192 total cpu time spent up to now is 203.8 secs Computing kpt #: 193 total cpu time spent up to now is 204.7 secs Computing kpt #: 194 total cpu time spent up to now is 205.6 secs Computing kpt #: 195 total cpu time spent up to now is 206.5 secs Computing kpt #: 196 total cpu time spent up to now is 207.4 secs Computing kpt #: 197 total cpu time spent up to now is 208.2 secs Computing kpt #: 198 total cpu time spent up to now is 209.0 secs Computing kpt #: 199 total cpu time spent up to now is 209.8 secs Computing kpt #: 200 total cpu time spent up to now is 210.6 secs Computing kpt #: 201 total cpu time spent up to now is 211.4 secs Computing kpt #: 202 total cpu time spent up to now is 212.2 secs Computing kpt #: 203 total cpu time spent up to now is 213.0 secs Computing kpt #: 204 total cpu time spent up to now is 213.8 secs Computing kpt #: 205 total cpu time spent up to now is 214.7 secs Computing kpt #: 206 total cpu time spent up to now is 215.6 secs Computing kpt #: 207 total cpu time spent up to now is 216.4 secs Computing kpt #: 208 total cpu time spent up to now is 217.2 secs Computing kpt #: 209 total cpu time spent up to now is 218.1 secs Computing kpt #: 210 total cpu time spent up to now is 219.0 secs Computing kpt #: 211 total cpu time spent up to now is 219.9 secs Computing kpt #: 212 total cpu time spent up to now is 220.9 secs Computing kpt #: 213 total cpu time spent up to now is 221.9 secs Computing kpt #: 214 total cpu time spent up to now is 223.0 secs Computing kpt #: 215 total cpu time spent up to now is 224.1 secs Computing kpt #: 216 total cpu time spent up to now is 225.2 secs Computing kpt #: 217 total cpu time spent up to now is 226.4 secs Computing kpt #: 218 total cpu time spent up to now is 227.5 secs Computing kpt #: 219 total cpu time spent up to now is 228.7 secs Computing kpt #: 220 total cpu time spent up to now is 230.2 secs Computing kpt #: 221 total cpu time spent up to now is 231.4 secs Computing kpt #: 222 total cpu time spent up to now is 232.6 secs Computing kpt #: 223 total cpu time spent up to now is 233.7 secs Computing kpt #: 224 total cpu time spent up to now is 234.9 secs Computing kpt #: 225 total cpu time spent up to now is 236.0 secs Computing kpt #: 226 total cpu time spent up to now is 237.1 secs Computing kpt #: 227 total cpu time spent up to now is 238.1 secs Computing kpt #: 228 total cpu time spent up to now is 239.1 secs Computing kpt #: 229 total cpu time spent up to now is 240.1 secs Computing kpt #: 230 total cpu time spent up to now is 241.2 secs Computing kpt #: 231 total cpu time spent up to now is 242.2 secs Computing kpt #: 232 total cpu time spent up to now is 243.2 secs Computing kpt #: 233 total cpu time spent up to now is 244.1 secs Computing kpt #: 234 total cpu time spent up to now is 245.1 secs Computing kpt #: 235 total cpu time spent up to now is 246.1 secs Computing kpt #: 236 total cpu time spent up to now is 247.1 secs Computing kpt #: 237 total cpu time spent up to now is 248.1 secs Computing kpt #: 238 total cpu time spent up to now is 249.0 secs Computing kpt #: 239 total cpu time spent up to now is 250.0 secs Computing kpt #: 240 total cpu time spent up to now is 251.0 secs Computing kpt #: 241 total cpu time spent up to now is 252.1 secs Computing kpt #: 242 total cpu time spent up to now is 253.0 secs Computing kpt #: 243 total cpu time spent up to now is 254.0 secs Computing kpt #: 244 total cpu time spent up to now is 255.1 secs Computing kpt #: 245 total cpu time spent up to now is 256.1 secs Computing kpt #: 246 total cpu time spent up to now is 257.3 secs Computing kpt #: 247 total cpu time spent up to now is 258.4 secs Computing kpt #: 248 total cpu time spent up to now is 259.5 secs Computing kpt #: 249 total cpu time spent up to now is 260.5 secs Computing kpt #: 250 total cpu time spent up to now is 261.5 secs Computing kpt #: 251 total cpu time spent up to now is 262.5 secs Computing kpt #: 252 total cpu time spent up to now is 263.5 secs Computing kpt #: 253 total cpu time spent up to now is 264.5 secs Computing kpt #: 254 total cpu time spent up to now is 265.4 secs Computing kpt #: 255 total cpu time spent up to now is 266.4 secs Computing kpt #: 256 total cpu time spent up to now is 267.4 secs Computing kpt #: 257 total cpu time spent up to now is 268.4 secs Computing kpt #: 258 total cpu time spent up to now is 269.3 secs Computing kpt #: 259 total cpu time spent up to now is 270.5 secs Computing kpt #: 260 total cpu time spent up to now is 271.4 secs Computing kpt #: 261 total cpu time spent up to now is 272.3 secs Computing kpt #: 262 total cpu time spent up to now is 273.1 secs Computing kpt #: 263 total cpu time spent up to now is 273.8 secs Computing kpt #: 264 total cpu time spent up to now is 274.7 secs Computing kpt #: 265 total cpu time spent up to now is 275.6 secs Computing kpt #: 266 total cpu time spent up to now is 276.4 secs Computing kpt #: 267 total cpu time spent up to now is 277.1 secs Computing kpt #: 268 total cpu time spent up to now is 277.9 secs Computing kpt #: 269 total cpu time spent up to now is 278.6 secs Computing kpt #: 270 total cpu time spent up to now is 279.4 secs Computing kpt #: 271 total cpu time spent up to now is 280.1 secs Computing kpt #: 272 total cpu time spent up to now is 280.9 secs Computing kpt #: 273 total cpu time spent up to now is 281.7 secs Computing kpt #: 274 total cpu time spent up to now is 282.5 secs Computing kpt #: 275 total cpu time spent up to now is 283.2 secs Computing kpt #: 276 total cpu time spent up to now is 283.9 secs Computing kpt #: 277 total cpu time spent up to now is 284.7 secs Computing kpt #: 278 total cpu time spent up to now is 285.4 secs Computing kpt #: 279 total cpu time spent up to now is 286.2 secs Computing kpt #: 280 total cpu time spent up to now is 287.0 secs Computing kpt #: 281 total cpu time spent up to now is 287.8 secs Computing kpt #: 282 total cpu time spent up to now is 288.7 secs Computing kpt #: 283 total cpu time spent up to now is 289.5 secs Computing kpt #: 284 total cpu time spent up to now is 290.4 secs Computing kpt #: 285 total cpu time spent up to now is 291.3 secs Computing kpt #: 286 total cpu time spent up to now is 292.2 secs Computing kpt #: 287 total cpu time spent up to now is 293.2 secs Computing kpt #: 288 total cpu time spent up to now is 294.4 secs Computing kpt #: 289 total cpu time spent up to now is 295.4 secs Computing kpt #: 290 total cpu time spent up to now is 296.5 secs Computing kpt #: 291 total cpu time spent up to now is 297.7 secs Computing kpt #: 292 total cpu time spent up to now is 298.7 secs Computing kpt #: 293 total cpu time spent up to now is 299.7 secs Computing kpt #: 294 total cpu time spent up to now is 300.6 secs Computing kpt #: 295 total cpu time spent up to now is 301.3 secs Computing kpt #: 296 total cpu time spent up to now is 302.0 secs Computing kpt #: 297 total cpu time spent up to now is 302.7 secs Computing kpt #: 298 total cpu time spent up to now is 303.4 secs Computing kpt #: 299 total cpu time spent up to now is 304.1 secs Computing kpt #: 300 total cpu time spent up to now is 305.0 secs Computing kpt #: 301 total cpu time spent up to now is 305.7 secs Computing kpt #: 302 total cpu time spent up to now is 306.3 secs Computing kpt #: 303 total cpu time spent up to now is 307.0 secs Computing kpt #: 304 total cpu time spent up to now is 307.7 secs Computing kpt #: 305 total cpu time spent up to now is 308.4 secs Computing kpt #: 306 total cpu time spent up to now is 309.1 secs Computing kpt #: 307 total cpu time spent up to now is 309.7 secs Computing kpt #: 308 total cpu time spent up to now is 310.5 secs Computing kpt #: 309 total cpu time spent up to now is 311.3 secs Computing kpt #: 310 total cpu time spent up to now is 312.0 secs Computing kpt #: 311 total cpu time spent up to now is 312.7 secs Computing kpt #: 312 total cpu time spent up to now is 313.4 secs Computing kpt #: 313 total cpu time spent up to now is 314.0 secs Computing kpt #: 314 total cpu time spent up to now is 314.7 secs Computing kpt #: 315 total cpu time spent up to now is 315.3 secs Computing kpt #: 316 total cpu time spent up to now is 316.0 secs Computing kpt #: 317 total cpu time spent up to now is 316.7 secs Computing kpt #: 318 total cpu time spent up to now is 317.4 secs Computing kpt #: 319 total cpu time spent up to now is 318.1 secs Computing kpt #: 320 total cpu time spent up to now is 318.8 secs Computing kpt #: 321 total cpu time spent up to now is 319.5 secs Computing kpt #: 322 total cpu time spent up to now is 320.2 secs Computing kpt #: 323 total cpu time spent up to now is 320.9 secs Computing kpt #: 324 total cpu time spent up to now is 321.6 secs Computing kpt #: 325 total cpu time spent up to now is 322.4 secs Computing kpt #: 326 total cpu time spent up to now is 323.1 secs Computing kpt #: 327 total cpu time spent up to now is 323.9 secs Computing kpt #: 328 total cpu time spent up to now is 324.8 secs Computing kpt #: 329 total cpu time spent up to now is 325.6 secs Computing kpt #: 330 total cpu time spent up to now is 326.3 secs Computing kpt #: 331 total cpu time spent up to now is 327.1 secs Computing kpt #: 332 total cpu time spent up to now is 327.9 secs Computing kpt #: 333 total cpu time spent up to now is 328.8 secs Computing kpt #: 334 total cpu time spent up to now is 329.8 secs Computing kpt #: 335 total cpu time spent up to now is 330.8 secs Computing kpt #: 336 total cpu time spent up to now is 331.8 secs Computing kpt #: 337 total cpu time spent up to now is 332.8 secs Computing kpt #: 338 total cpu time spent up to now is 333.8 secs Computing kpt #: 339 total cpu time spent up to now is 334.8 secs Computing kpt #: 340 total cpu time spent up to now is 335.8 secs Computing kpt #: 341 total cpu time spent up to now is 336.8 secs Computing kpt #: 342 total cpu time spent up to now is 337.9 secs Computing kpt #: 343 total cpu time spent up to now is 339.0 secs Computing kpt #: 344 total cpu time spent up to now is 340.2 secs Computing kpt #: 345 total cpu time spent up to now is 341.5 secs Computing kpt #: 346 total cpu time spent up to now is 342.6 secs Computing kpt #: 347 total cpu time spent up to now is 343.7 secs Computing kpt #: 348 total cpu time spent up to now is 344.7 secs Computing kpt #: 349 total cpu time spent up to now is 345.6 secs Computing kpt #: 350 total cpu time spent up to now is 346.5 secs Computing kpt #: 351 total cpu time spent up to now is 347.4 secs Computing kpt #: 352 total cpu time spent up to now is 348.3 secs Computing kpt #: 353 total cpu time spent up to now is 349.1 secs Computing kpt #: 354 total cpu time spent up to now is 349.9 secs Computing kpt #: 355 total cpu time spent up to now is 350.6 secs Computing kpt #: 356 total cpu time spent up to now is 351.4 secs Computing kpt #: 357 total cpu time spent up to now is 352.2 secs Computing kpt #: 358 total cpu time spent up to now is 353.1 secs Computing kpt #: 359 total cpu time spent up to now is 353.8 secs Computing kpt #: 360 total cpu time spent up to now is 354.6 secs Computing kpt #: 361 total cpu time spent up to now is 355.4 secs Computing kpt #: 362 total cpu time spent up to now is 356.1 secs Computing kpt #: 363 total cpu time spent up to now is 356.9 secs Computing kpt #: 364 total cpu time spent up to now is 357.6 secs Computing kpt #: 365 total cpu time spent up to now is 358.4 secs Computing kpt #: 366 total cpu time spent up to now is 359.1 secs Computing kpt #: 367 total cpu time spent up to now is 359.9 secs Computing kpt #: 368 total cpu time spent up to now is 360.6 secs Computing kpt #: 369 total cpu time spent up to now is 361.4 secs Computing kpt #: 370 total cpu time spent up to now is 362.1 secs Computing kpt #: 371 total cpu time spent up to now is 362.9 secs Computing kpt #: 372 total cpu time spent up to now is 363.6 secs Computing kpt #: 373 total cpu time spent up to now is 364.3 secs Computing kpt #: 374 total cpu time spent up to now is 365.2 secs Computing kpt #: 375 total cpu time spent up to now is 366.0 secs Computing kpt #: 376 total cpu time spent up to now is 366.8 secs Computing kpt #: 377 total cpu time spent up to now is 367.6 secs Computing kpt #: 378 total cpu time spent up to now is 368.3 secs Computing kpt #: 379 total cpu time spent up to now is 369.1 secs Computing kpt #: 380 total cpu time spent up to now is 369.8 secs Computing kpt #: 381 total cpu time spent up to now is 370.6 secs Computing kpt #: 382 total cpu time spent up to now is 371.4 secs Computing kpt #: 383 total cpu time spent up to now is 372.2 secs Computing kpt #: 384 total cpu time spent up to now is 373.0 secs Computing kpt #: 385 total cpu time spent up to now is 373.7 secs Computing kpt #: 386 total cpu time spent up to now is 374.5 secs Computing kpt #: 387 total cpu time spent up to now is 375.3 secs Computing kpt #: 388 total cpu time spent up to now is 376.0 secs Computing kpt #: 389 total cpu time spent up to now is 376.9 secs Computing kpt #: 390 total cpu time spent up to now is 377.7 secs Computing kpt #: 391 total cpu time spent up to now is 378.6 secs Computing kpt #: 392 total cpu time spent up to now is 379.5 secs Computing kpt #: 393 total cpu time spent up to now is 380.4 secs Computing kpt #: 394 total cpu time spent up to now is 381.9 secs Computing kpt #: 395 total cpu time spent up to now is 382.8 secs Computing kpt #: 396 total cpu time spent up to now is 383.8 secs Computing kpt #: 397 total cpu time spent up to now is 384.8 secs Computing kpt #: 398 total cpu time spent up to now is 385.9 secs Computing kpt #: 399 total cpu time spent up to now is 386.7 secs Computing kpt #: 400 total cpu time spent up to now is 387.7 secs Computing kpt #: 401 total cpu time spent up to now is 388.9 secs Computing kpt #: 402 total cpu time spent up to now is 390.0 secs Computing kpt #: 403 total cpu time spent up to now is 391.0 secs Computing kpt #: 404 total cpu time spent up to now is 392.0 secs Computing kpt #: 405 total cpu time spent up to now is 392.9 secs Computing kpt #: 406 total cpu time spent up to now is 393.9 secs Computing kpt #: 407 total cpu time spent up to now is 394.8 secs Computing kpt #: 408 total cpu time spent up to now is 395.7 secs Computing kpt #: 409 total cpu time spent up to now is 396.5 secs Computing kpt #: 410 total cpu time spent up to now is 397.3 secs Computing kpt #: 411 total cpu time spent up to now is 398.1 secs Computing kpt #: 412 total cpu time spent up to now is 398.9 secs Computing kpt #: 413 total cpu time spent up to now is 399.7 secs Computing kpt #: 414 total cpu time spent up to now is 400.5 secs Computing kpt #: 415 total cpu time spent up to now is 401.3 secs Computing kpt #: 416 total cpu time spent up to now is 402.0 secs Computing kpt #: 417 total cpu time spent up to now is 402.6 secs Computing kpt #: 418 total cpu time spent up to now is 403.2 secs Computing kpt #: 419 total cpu time spent up to now is 403.9 secs Computing kpt #: 420 total cpu time spent up to now is 404.5 secs Computing kpt #: 421 total cpu time spent up to now is 405.1 secs Computing kpt #: 422 total cpu time spent up to now is 405.7 secs Computing kpt #: 423 total cpu time spent up to now is 406.3 secs Computing kpt #: 424 total cpu time spent up to now is 406.9 secs Computing kpt #: 425 total cpu time spent up to now is 407.6 secs Computing kpt #: 426 total cpu time spent up to now is 408.2 secs Computing kpt #: 427 total cpu time spent up to now is 408.8 secs Computing kpt #: 428 total cpu time spent up to now is 409.4 secs Computing kpt #: 429 total cpu time spent up to now is 410.0 secs Computing kpt #: 430 total cpu time spent up to now is 410.6 secs Computing kpt #: 431 total cpu time spent up to now is 411.1 secs Computing kpt #: 432 total cpu time spent up to now is 411.8 secs Computing kpt #: 433 total cpu time spent up to now is 412.3 secs Computing kpt #: 434 total cpu time spent up to now is 413.0 secs Computing kpt #: 435 total cpu time spent up to now is 413.6 secs Computing kpt #: 436 total cpu time spent up to now is 414.3 secs Computing kpt #: 437 total cpu time spent up to now is 415.0 secs Computing kpt #: 438 total cpu time spent up to now is 415.6 secs Computing kpt #: 439 total cpu time spent up to now is 416.2 secs Computing kpt #: 440 total cpu time spent up to now is 416.9 secs Computing kpt #: 441 total cpu time spent up to now is 417.6 secs Computing kpt #: 442 total cpu time spent up to now is 418.3 secs Computing kpt #: 443 total cpu time spent up to now is 419.1 secs Computing kpt #: 444 total cpu time spent up to now is 419.8 secs Computing kpt #: 445 total cpu time spent up to now is 420.6 secs Computing kpt #: 446 total cpu time spent up to now is 421.4 secs Computing kpt #: 447 total cpu time spent up to now is 422.2 secs Computing kpt #: 448 total cpu time spent up to now is 423.0 secs Computing kpt #: 449 total cpu time spent up to now is 423.9 secs Computing kpt #: 450 total cpu time spent up to now is 424.9 secs Computing kpt #: 451 total cpu time spent up to now is 425.8 secs Computing kpt #: 452 total cpu time spent up to now is 426.8 secs Computing kpt #: 453 total cpu time spent up to now is 427.7 secs Computing kpt #: 454 total cpu time spent up to now is 428.6 secs Computing kpt #: 455 total cpu time spent up to now is 429.6 secs Computing kpt #: 456 total cpu time spent up to now is 430.6 secs Computing kpt #: 457 total cpu time spent up to now is 431.5 secs Computing kpt #: 458 total cpu time spent up to now is 432.5 secs Computing kpt #: 459 total cpu time spent up to now is 433.5 secs Computing kpt #: 460 total cpu time spent up to now is 434.6 secs Computing kpt #: 461 total cpu time spent up to now is 436.2 secs Computing kpt #: 462 total cpu time spent up to now is 437.4 secs Computing kpt #: 463 total cpu time spent up to now is 438.4 secs Computing kpt #: 464 total cpu time spent up to now is 439.5 secs Computing kpt #: 465 total cpu time spent up to now is 440.5 secs Computing kpt #: 466 total cpu time spent up to now is 441.6 secs Computing kpt #: 467 total cpu time spent up to now is 442.6 secs Computing kpt #: 468 total cpu time spent up to now is 443.7 secs Computing kpt #: 469 total cpu time spent up to now is 444.8 secs Computing kpt #: 470 total cpu time spent up to now is 445.8 secs Computing kpt #: 471 total cpu time spent up to now is 446.9 secs Computing kpt #: 472 total cpu time spent up to now is 447.9 secs Computing kpt #: 473 total cpu time spent up to now is 449.0 secs Computing kpt #: 474 total cpu time spent up to now is 450.0 secs Computing kpt #: 475 total cpu time spent up to now is 450.9 secs Computing kpt #: 476 total cpu time spent up to now is 451.9 secs Computing kpt #: 477 total cpu time spent up to now is 452.9 secs Computing kpt #: 478 total cpu time spent up to now is 453.8 secs Computing kpt #: 479 total cpu time spent up to now is 454.8 secs Computing kpt #: 480 total cpu time spent up to now is 455.8 secs Computing kpt #: 481 total cpu time spent up to now is 456.7 secs Computing kpt #: 482 total cpu time spent up to now is 457.7 secs Computing kpt #: 483 total cpu time spent up to now is 458.6 secs Computing kpt #: 484 total cpu time spent up to now is 459.5 secs Computing kpt #: 485 total cpu time spent up to now is 460.4 secs Computing kpt #: 486 total cpu time spent up to now is 461.4 secs Computing kpt #: 487 total cpu time spent up to now is 462.3 secs Computing kpt #: 488 total cpu time spent up to now is 463.2 secs Computing kpt #: 489 total cpu time spent up to now is 464.1 secs Computing kpt #: 490 total cpu time spent up to now is 465.0 secs Computing kpt #: 491 total cpu time spent up to now is 465.8 secs Computing kpt #: 492 total cpu time spent up to now is 466.7 secs Computing kpt #: 493 total cpu time spent up to now is 467.6 secs Computing kpt #: 494 total cpu time spent up to now is 468.5 secs Computing kpt #: 495 total cpu time spent up to now is 469.3 secs Computing kpt #: 496 total cpu time spent up to now is 470.2 secs Computing kpt #: 497 total cpu time spent up to now is 471.1 secs Computing kpt #: 498 total cpu time spent up to now is 472.0 secs Computing kpt #: 499 total cpu time spent up to now is 472.8 secs Computing kpt #: 500 total cpu time spent up to now is 473.7 secs Computing kpt #: 501 total cpu time spent up to now is 474.5 secs Computing kpt #: 502 total cpu time spent up to now is 475.3 secs Computing kpt #: 503 total cpu time spent up to now is 476.1 secs Computing kpt #: 504 total cpu time spent up to now is 476.9 secs Computing kpt #: 505 total cpu time spent up to now is 477.8 secs Computing kpt #: 506 total cpu time spent up to now is 478.7 secs Computing kpt #: 507 total cpu time spent up to now is 479.6 secs Computing kpt #: 508 total cpu time spent up to now is 480.5 secs Computing kpt #: 509 total cpu time spent up to now is 481.3 secs Computing kpt #: 510 total cpu time spent up to now is 482.2 secs Computing kpt #: 511 total cpu time spent up to now is 483.0 secs Computing kpt #: 512 total cpu time spent up to now is 483.7 secs Computing kpt #: 513 total cpu time spent up to now is 484.5 secs Computing kpt #: 514 total cpu time spent up to now is 485.3 secs Computing kpt #: 515 total cpu time spent up to now is 486.1 secs Computing kpt #: 516 total cpu time spent up to now is 486.9 secs Computing kpt #: 517 total cpu time spent up to now is 487.7 secs Computing kpt #: 518 total cpu time spent up to now is 488.5 secs Computing kpt #: 519 total cpu time spent up to now is 489.3 secs Computing kpt #: 520 total cpu time spent up to now is 490.1 secs Computing kpt #: 521 total cpu time spent up to now is 490.8 secs Computing kpt #: 522 total cpu time spent up to now is 491.7 secs Computing kpt #: 523 total cpu time spent up to now is 492.4 secs Computing kpt #: 524 total cpu time spent up to now is 493.2 secs Computing kpt #: 525 total cpu time spent up to now is 494.0 secs Computing kpt #: 526 total cpu time spent up to now is 494.7 secs Computing kpt #: 527 total cpu time spent up to now is 495.5 secs Computing kpt #: 528 total cpu time spent up to now is 496.3 secs Computing kpt #: 529 total cpu time spent up to now is 497.1 secs Computing kpt #: 530 total cpu time spent up to now is 498.0 secs Computing kpt #: 531 total cpu time spent up to now is 498.9 secs Computing kpt #: 532 total cpu time spent up to now is 499.8 secs Computing kpt #: 533 total cpu time spent up to now is 500.7 secs Computing kpt #: 534 total cpu time spent up to now is 501.7 secs Computing kpt #: 535 total cpu time spent up to now is 502.6 secs Computing kpt #: 536 total cpu time spent up to now is 503.6 secs Computing kpt #: 537 total cpu time spent up to now is 504.5 secs Computing kpt #: 538 total cpu time spent up to now is 505.5 secs Computing kpt #: 539 total cpu time spent up to now is 506.4 secs Computing kpt #: 540 total cpu time spent up to now is 507.3 secs Computing kpt #: 541 total cpu time spent up to now is 508.3 secs Computing kpt #: 542 total cpu time spent up to now is 509.2 secs Computing kpt #: 543 total cpu time spent up to now is 510.2 secs Computing kpt #: 544 total cpu time spent up to now is 511.2 secs Computing kpt #: 545 total cpu time spent up to now is 512.1 secs Computing kpt #: 546 total cpu time spent up to now is 513.1 secs Computing kpt #: 547 total cpu time spent up to now is 514.2 secs Computing kpt #: 548 total cpu time spent up to now is 515.3 secs Computing kpt #: 549 total cpu time spent up to now is 516.4 secs Computing kpt #: 550 total cpu time spent up to now is 517.4 secs Computing kpt #: 551 total cpu time spent up to now is 518.4 secs Computing kpt #: 552 total cpu time spent up to now is 519.3 secs Computing kpt #: 553 total cpu time spent up to now is 520.4 secs Computing kpt #: 554 total cpu time spent up to now is 521.4 secs Computing kpt #: 555 total cpu time spent up to now is 522.3 secs Computing kpt #: 556 total cpu time spent up to now is 523.2 secs Computing kpt #: 557 total cpu time spent up to now is 524.1 secs Computing kpt #: 558 total cpu time spent up to now is 524.9 secs Computing kpt #: 559 total cpu time spent up to now is 525.7 secs Computing kpt #: 560 total cpu time spent up to now is 526.5 secs Computing kpt #: 561 total cpu time spent up to now is 527.3 secs Computing kpt #: 562 total cpu time spent up to now is 528.1 secs Computing kpt #: 563 total cpu time spent up to now is 528.9 secs Computing kpt #: 564 total cpu time spent up to now is 529.6 secs Computing kpt #: 565 total cpu time spent up to now is 530.4 secs Computing kpt #: 566 total cpu time spent up to now is 531.2 secs Computing kpt #: 567 total cpu time spent up to now is 531.9 secs Computing kpt #: 568 total cpu time spent up to now is 532.8 secs Computing kpt #: 569 total cpu time spent up to now is 533.6 secs Computing kpt #: 570 total cpu time spent up to now is 534.4 secs Computing kpt #: 571 total cpu time spent up to now is 535.2 secs Computing kpt #: 572 total cpu time spent up to now is 535.8 secs Computing kpt #: 573 total cpu time spent up to now is 536.4 secs Computing kpt #: 574 total cpu time spent up to now is 536.9 secs Computing kpt #: 575 total cpu time spent up to now is 537.6 secs Computing kpt #: 576 total cpu time spent up to now is 538.2 secs Computing kpt #: 577 total cpu time spent up to now is 538.8 secs Computing kpt #: 578 total cpu time spent up to now is 539.4 secs Computing kpt #: 579 total cpu time spent up to now is 540.0 secs Computing kpt #: 580 total cpu time spent up to now is 540.5 secs Computing kpt #: 581 total cpu time spent up to now is 541.2 secs Computing kpt #: 582 total cpu time spent up to now is 541.7 secs Computing kpt #: 583 total cpu time spent up to now is 542.3 secs Computing kpt #: 584 total cpu time spent up to now is 542.9 secs Computing kpt #: 585 total cpu time spent up to now is 543.6 secs Computing kpt #: 586 total cpu time spent up to now is 544.2 secs Computing kpt #: 587 total cpu time spent up to now is 544.9 secs Computing kpt #: 588 total cpu time spent up to now is 545.7 secs Computing kpt #: 589 total cpu time spent up to now is 546.5 secs Computing kpt #: 590 total cpu time spent up to now is 547.6 secs Computing kpt #: 591 total cpu time spent up to now is 548.6 secs Computing kpt #: 592 total cpu time spent up to now is 549.5 secs ethr = 3.33E-11, avg # of iterations = 39.2 total cpu time spent up to now is 549.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1679 PWs) bands (ev): -9.8217 -9.8217 -7.5744 -7.5744 -6.4090 -6.4090 -0.5407 -0.5407 0.6616 0.6616 5.3824 5.3824 5.8786 5.8786 6.3796 6.3796 6.6964 6.6964 7.4601 7.4601 7.5202 7.5202 8.4437 8.4437 8.7208 8.7208 10.9358 10.9358 13.6346 13.6346 15.4545 15.4545 15.6231 15.6231 17.2162 17.2162 18.1494 18.1494 k = 0.0079-0.0000-0.0000 ( 1678 PWs) bands (ev): -9.8206 -9.8206 -7.5735 -7.5735 -6.4079 -6.4079 -0.5399 -0.5399 0.6626 0.6626 5.3832 5.3832 5.8698 5.8700 6.3781 6.3788 6.6965 6.6972 7.4579 7.4580 7.5207 7.5207 8.4384 8.4386 8.7217 8.7217 10.9333 10.9334 13.6344 13.6344 15.4519 15.4522 15.6181 15.6182 17.2220 17.2221 18.1564 18.1564 k = 0.0159-0.0000-0.0000 ( 1684 PWs) bands (ev): -9.8175 -9.8175 -7.5707 -7.5707 -6.4047 -6.4047 -0.5372 -0.5372 0.6654 0.6654 5.3857 5.3857 5.8440 5.8444 6.3736 6.3750 6.6975 6.6989 7.4514 7.4515 7.5221 7.5221 8.4227 8.4231 8.7243 8.7243 10.9259 10.9261 13.6337 13.6337 15.4404 15.4410 15.6076 15.6079 17.2393 17.2395 18.1772 18.1772 k = 0.0238-0.0000-0.0000 ( 1682 PWs) bands (ev): -9.8123 -9.8123 -7.5661 -7.5661 -6.3993 -6.3993 -0.5328 -0.5328 0.6702 0.6702 5.3897 5.3897 5.8028 5.8033 6.3644 6.3663 6.6996 6.7016 7.4410 7.4412 7.5245 7.5245 8.3971 8.3976 8.7286 8.7286 10.9136 10.9139 13.6326 13.6326 15.4100 15.4107 15.6030 15.6034 17.2669 17.2672 18.2116 18.2117 k = 0.0317-0.0000-0.0000 ( 1686 PWs) bands (ev): -9.8051 -9.8051 -7.5596 -7.5596 -6.3918 -6.3918 -0.5267 -0.5267 0.6769 0.6770 5.3954 5.3954 5.7480 5.7485 6.3486 6.3509 6.7026 6.7050 7.4272 7.4275 7.5277 7.5278 8.3620 8.3626 8.7347 8.7347 10.8965 10.8969 13.6310 13.6310 15.3537 15.3545 15.6130 15.6133 17.3034 17.3038 18.2591 18.2591 k = 0.0397-0.0000-0.0000 ( 1684 PWs) bands (ev): -9.7958 -9.7958 -7.5513 -7.5513 -6.3820 -6.3820 -0.5188 -0.5188 0.6855 0.6856 5.4027 5.4027 5.6813 5.6819 6.3244 6.3268 6.7062 6.7090 7.4107 7.4111 7.5320 7.5320 8.3181 8.3189 8.7425 8.7425 10.8744 10.8749 13.6289 13.6289 15.2737 15.2745 15.6370 15.6372 17.3473 17.3477 18.3186 18.3187 k = 0.0476-0.0000-0.0000 ( 1680 PWs) bands (ev): -9.7844 -9.7844 -7.5411 -7.5411 -6.3702 -6.3702 -0.5092 -0.5092 0.6960 0.6961 5.4116 5.4116 5.6044 5.6050 6.2905 6.2929 6.7097 6.7126 7.3921 7.3926 7.5372 7.5372 8.2664 8.2674 8.7520 8.7520 10.8475 10.8481 13.6264 13.6264 15.1752 15.1759 15.6717 15.6717 17.3968 17.3974 18.3872 18.3876 k = 0.0556-0.0000-0.0000 ( 1674 PWs) bands (ev): -9.7710 -9.7710 -7.5291 -7.5291 -6.3561 -6.3561 -0.4980 -0.4979 0.7085 0.7085 5.4221 5.4221 5.5184 5.5190 6.2461 6.2484 6.7122 6.7152 7.3721 7.3726 7.5432 7.5433 8.2081 8.2092 8.7633 8.7633 10.8159 10.8166 13.6233 13.6233 15.0620 15.0627 15.7145 15.7147 17.4506 17.4512 18.4480 18.4481 k = 0.0635-0.0000-0.0000 ( 1670 PWs) bands (ev): -9.7555 -9.7555 -7.5154 -7.5153 -6.3400 -6.3400 -0.4851 -0.4850 0.7228 0.7229 5.4233 5.4238 5.4354 5.4355 6.1910 6.1931 6.7123 6.7154 7.3513 7.3518 7.5502 7.5503 8.1445 8.1459 8.7763 8.7763 10.7795 10.7803 13.6197 13.6197 14.9370 14.9378 15.7640 15.7642 17.5072 17.5079 18.4630 18.4647 k = 0.0714-0.0000-0.0000 ( 1674 PWs) bands (ev): -9.7380 -9.7380 -7.4998 -7.4997 -6.3217 -6.3216 -0.4706 -0.4705 0.7390 0.7391 5.3231 5.3237 5.4482 5.4482 6.1250 6.1269 6.7088 6.7119 7.3300 7.3305 7.5580 7.5580 8.0775 8.0790 8.7910 8.7910 10.7384 10.7392 13.6155 13.6155 14.8024 14.8031 15.8190 15.8194 17.5653 17.5659 18.4688 18.4708 k = 0.0794-0.0000-0.0000 ( 1674 PWs) bands (ev): -9.7185 -9.7184 -7.4824 -7.4824 -6.3012 -6.3012 -0.4545 -0.4544 0.7571 0.7572 5.2157 5.2163 5.4634 5.4634 6.0483 6.0501 6.7003 6.7033 7.3085 7.3090 7.5665 7.5666 8.0091 8.0108 8.8075 8.8075 10.6926 10.6935 13.6108 13.6108 14.6596 14.6604 15.8788 15.8792 17.6236 17.6242 18.4777 18.4796 k = 0.0873-0.0000-0.0000 ( 1674 PWs) bands (ev): -9.6969 -9.6968 -7.4633 -7.4632 -6.2786 -6.2786 -0.4369 -0.4368 0.7770 0.7772 5.1027 5.1032 5.4802 5.4802 5.9615 5.9631 6.6849 6.6879 7.2868 7.2874 7.5759 7.5760 7.9416 7.9435 8.8257 8.8257 10.6423 10.6433 13.6054 13.6054 14.5103 14.5110 15.9425 15.9430 17.6809 17.6815 18.4917 18.4935 k = 0.0952-0.0000-0.0000 ( 1668 PWs) bands (ev): -9.6732 -9.6732 -7.4424 -7.4424 -6.2539 -6.2538 -0.4178 -0.4177 0.7989 0.7990 4.9847 4.9852 5.4987 5.4987 5.8650 5.8664 6.6608 6.6638 7.2652 7.2658 7.5860 7.5861 7.8775 7.8795 8.8456 8.8456 10.5876 10.5886 13.5994 13.5994 14.3554 14.3561 16.0094 16.0100 17.7362 17.7368 18.5119 18.5135 k = 0.1032-0.0000-0.0000 ( 1666 PWs) bands (ev): -9.6476 -9.6476 -7.4198 -7.4198 -6.2270 -6.2270 -0.3974 -0.3973 0.8226 0.8227 4.8624 4.8628 5.5186 5.5186 5.7594 5.7607 6.6258 6.6287 7.2437 7.2443 7.5968 7.5970 7.8191 7.8211 8.8672 8.8672 10.5284 10.5295 13.5927 13.5927 14.1960 14.1967 16.0789 16.0796 17.7886 17.7891 18.5388 18.5402 k = 0.1111-0.0000-0.0000 ( 1666 PWs) bands (ev): -9.6199 -9.6199 -7.3955 -7.3955 -6.1980 -6.1980 -0.3757 -0.3756 0.8481 0.8482 4.7362 4.7366 5.5400 5.5400 5.6455 5.6467 6.5780 6.5809 7.2229 7.2235 7.6083 7.6085 7.7684 7.7704 8.8905 8.8905 10.4649 10.4661 13.5853 13.5853 14.0329 14.0336 16.1505 16.1512 17.8376 17.8379 18.5727 18.5739 k = 0.1190-0.0000-0.0000 ( 1666 PWs) bands (ev): -9.5902 -9.5902 -7.3696 -7.3696 -6.1669 -6.1669 -0.3527 -0.3526 0.8754 0.8756 4.6069 4.6073 5.5239 5.5249 5.5630 5.5631 6.5160 6.5188 7.2033 7.2039 7.6203 7.6206 7.7267 7.7286 8.9155 8.9155 10.3973 10.3985 13.5772 13.5772 13.8669 13.8677 16.2236 16.2244 17.8828 17.8830 18.6136 18.6145 k = 0.1270-0.0000-0.0000 ( 1666 PWs) bands (ev): -9.5586 -9.5586 -7.3421 -7.3420 -6.1336 -6.1336 -0.3287 -0.3286 0.9045 0.9047 4.4750 4.4754 5.3956 5.3965 5.5874 5.5874 6.4393 6.4420 7.1856 7.1862 7.6328 7.6332 7.6943 7.6960 8.9423 8.9423 10.3257 10.3270 13.5682 13.5682 13.6987 13.6995 16.2978 16.2987 17.9245 17.9245 18.6610 18.6616 k = 0.1349-0.0000-0.0000 ( 1672 PWs) bands (ev): -9.5250 -9.5249 -7.3129 -7.3129 -6.0983 -6.0983 -0.3038 -0.3037 0.9354 0.9356 4.3411 4.3415 5.2610 5.2618 5.6132 5.6132 6.3482 6.3508 7.1700 7.1707 7.6453 7.6463 7.6711 7.6721 8.9707 8.9707 10.2502 10.2515 13.5287 13.5296 13.5585 13.5586 16.3727 16.3737 17.9628 17.9630 18.7142 18.7146 k = 0.1429-0.0000-0.0000 ( 1676 PWs) bands (ev): -9.4893 -9.4893 -7.2823 -7.2822 -6.0608 -6.0608 -0.2780 -0.2779 0.9681 0.9683 4.2056 4.2060 5.1209 5.1216 5.6405 5.6405 6.2442 6.2465 7.1566 7.1573 7.6511 7.6553 7.6606 7.6630 9.0008 9.0008 10.1710 10.1723 13.3580 13.3587 13.5478 13.5478 16.4480 16.4490 17.9987 17.9990 18.7706 18.7709 k = 0.1508-0.0000-0.0000 ( 1676 PWs) bands (ev): -9.4518 -9.4518 -7.2501 -7.2500 -6.0213 -6.0213 -0.2517 -0.2515 1.0025 1.0027 4.0694 4.0697 4.9759 4.9766 5.6692 5.6692 6.1288 6.1309 7.1449 7.1456 7.6438 7.6463 7.6742 7.6749 9.0326 9.0326 10.0882 10.0895 13.1865 13.1873 13.5362 13.5362 16.5235 16.5245 18.0328 18.0332 18.8124 18.8124 k = 0.1587-0.0000-0.0000 ( 1676 PWs) bands (ev): -9.4123 -9.4123 -7.2165 -7.2164 -5.9796 -5.9796 -0.2249 -0.2248 1.0386 1.0388 3.9327 3.9331 4.8266 4.8273 5.6992 5.6992 6.0038 6.0058 7.1346 7.1354 7.6404 7.6424 7.6886 7.6890 9.0661 9.0661 10.0020 10.0034 13.0150 13.0158 13.5236 13.5236 16.5989 16.6000 18.0660 18.0665 18.8547 18.8548 k = 0.1667-0.0000-0.0000 ( 1688 PWs) bands (ev): -9.3709 -9.3709 -7.1815 -7.1814 -5.9359 -5.9359 -0.1979 -0.1978 1.0763 1.0765 3.7964 3.7968 4.6735 4.6742 5.7305 5.7305 5.8710 5.8728 7.1251 7.1258 7.6412 7.6430 7.7032 7.7035 9.1012 9.1012 9.9126 9.9140 12.8439 12.8446 13.5101 13.5101 16.6741 16.6752 18.0988 18.0995 18.8991 18.8992 k = 0.1746-0.0000-0.0000 ( 1688 PWs) bands (ev): -9.3275 -9.3275 -7.1452 -7.1451 -5.8901 -5.8901 -0.1711 -0.1709 1.1157 1.1159 3.6611 3.6614 4.5173 4.5179 5.7319 5.7335 5.7632 5.7632 7.1158 7.1165 7.6458 7.6473 7.7180 7.7183 9.1380 9.1380 9.8203 9.8217 12.6736 12.6743 13.4954 13.4954 16.7490 16.7501 18.1319 18.1326 18.9456 18.9456 k = 0.1825-0.0000-0.0000 ( 1684 PWs) bands (ev): -9.2823 -9.2823 -7.1076 -7.1075 -5.8422 -5.8422 -0.1446 -0.1445 1.1566 1.1569 3.5273 3.5277 4.3583 4.3589 5.5876 5.5891 5.7973 5.7973 7.1062 7.1070 7.6533 7.6548 7.7330 7.7332 9.1764 9.1764 9.7251 9.7266 12.5044 12.5052 13.4797 13.4797 16.8235 16.8246 18.1658 18.1665 18.9940 18.9941 k = 0.1905-0.0000-0.0000 ( 1688 PWs) bands (ev): -9.2352 -9.2352 -7.0688 -7.0687 -5.7923 -5.7923 -0.1190 -0.1189 1.1991 1.1993 3.3958 3.3961 4.1970 4.1975 5.4394 5.4408 5.8325 5.8325 7.0960 7.0968 7.6633 7.6646 7.7481 7.7483 9.2164 9.2164 9.6274 9.6289 12.3369 12.3376 13.4627 13.4627 16.8975 16.8987 18.2006 18.2015 19.0445 19.0445 k = 0.1984-0.0000-0.0000 ( 1684 PWs) bands (ev): -9.1863 -9.1863 -7.0289 -7.0288 -5.7403 -5.7403 -0.0946 -0.0945 1.2430 1.2432 3.2672 3.2675 4.0338 4.0344 5.2880 5.2893 5.8689 5.8689 7.0847 7.0856 7.6753 7.6764 7.7631 7.7633 9.2581 9.2581 9.5275 9.5289 12.1714 12.1721 13.4446 13.4446 16.9712 16.9724 18.2368 18.2377 19.0970 19.0970 k = 0.2063-0.0000-0.0000 ( 1684 PWs) bands (ev): -9.1355 -9.1355 -6.9879 -6.9879 -5.6863 -5.6863 -0.0720 -0.0719 1.2884 1.2886 3.1424 3.1427 3.8693 3.8698 5.1344 5.1356 5.9064 5.9064 7.0720 7.0729 7.6887 7.6897 7.7780 7.7781 9.3013 9.3013 9.4255 9.4269 12.0082 12.0089 13.4252 13.4252 17.0444 17.0456 18.2745 18.2754 19.1513 19.1514 k = 0.2143-0.0000-0.0000 ( 1684 PWs) bands (ev): -9.0830 -9.0830 -6.9461 -6.9460 -5.6302 -5.6302 -0.0517 -0.0516 1.3348 1.3351 3.0219 3.0222 3.7037 3.7042 4.9793 4.9803 5.9451 5.9451 7.0575 7.0584 7.7031 7.7040 7.7927 7.7929 9.3218 9.3232 9.3461 9.3461 11.8478 11.8485 13.4045 13.4046 17.1173 17.1185 18.3137 18.3147 19.2077 19.2077 k = 0.2222-0.0000-0.0000 ( 1680 PWs) bands (ev): -9.0287 -9.0286 -6.9034 -6.9033 -5.5721 -5.5721 -0.0344 -0.0342 1.3825 1.3827 2.9066 2.9070 3.5377 3.5382 4.8232 4.8241 5.9849 5.9849 7.0411 7.0420 7.7180 7.7187 7.8072 7.8074 9.2169 9.2183 9.3924 9.3924 11.6905 11.6912 13.3825 13.3825 17.1898 17.1911 18.3546 18.3556 19.2659 19.2659 k = 0.2302-0.0000-0.0000 ( 1680 PWs) bands (ev): -8.9726 -8.9726 -6.8601 -6.8600 -5.5120 -5.5120 -0.0207 -0.0206 1.4310 1.4312 2.7973 2.7977 3.3716 3.3721 4.6667 4.6676 6.0258 6.0258 7.0222 7.0231 7.7328 7.7334 7.8214 7.8215 9.1113 9.1126 9.4403 9.4403 11.5367 11.5373 13.3591 13.3591 17.2621 17.2633 18.3970 18.3980 19.3259 19.3259 k = 0.2381-0.0000-0.0000 ( 1680 PWs) bands (ev): -8.9148 -8.9148 -6.8162 -6.8160 -5.4499 -5.4499 -0.0115 -0.0114 1.4803 1.4805 2.6945 2.6949 3.2064 3.2069 4.5105 4.5114 6.0676 6.0676 7.0007 7.0017 7.7467 7.7472 7.8351 7.8352 9.0057 9.0069 9.4896 9.4896 11.3867 11.3873 13.3343 13.3343 17.3342 17.3354 18.4410 18.4420 19.3877 19.3878 k = 0.2460-0.0000-0.0000 ( 1676 PWs) bands (ev): -8.8554 -8.8553 -6.7718 -6.7717 -5.3857 -5.3857 -0.0074 -0.0074 1.5300 1.5302 2.5985 2.5990 3.0429 3.0434 4.3552 4.3559 6.1104 6.1104 6.9763 6.9773 7.7589 7.7592 7.8484 7.8485 8.9010 8.9021 9.5405 9.5405 11.2409 11.2414 13.3080 13.3080 17.4061 17.4073 18.4863 18.4873 19.4513 19.4513 k = 0.2540-0.0000-0.0000 ( 1674 PWs) bands (ev): -8.7943 -8.7942 -6.7272 -6.7270 -5.3196 -5.3196 -0.0094 -0.0093 1.5797 1.5799 2.5086 2.5092 2.8832 2.8837 4.2013 4.2020 6.1541 6.1541 6.9487 6.9498 7.7680 7.7681 7.8610 7.8611 8.7984 8.7994 9.5928 9.5928 11.0996 11.1001 13.2803 13.2803 17.4780 17.4792 18.5328 18.5338 19.5166 19.5166 k = 0.2619-0.0000-0.0000 ( 1680 PWs) bands (ev): -8.7316 -8.7316 -6.6824 -6.6823 -5.2516 -5.2516 -0.0180 -0.0179 1.6290 1.6291 2.4222 2.4228 2.7312 2.7317 4.0497 4.0503 6.1986 6.1986 6.9178 6.9188 7.7721 7.7721 7.8730 7.8731 8.6998 8.7006 9.6464 9.6464 10.9631 10.9635 13.2510 13.2510 17.5498 17.5509 18.5801 18.5811 19.5834 19.5835 k = 0.2698-0.0000-0.0000 ( 1684 PWs) bands (ev): -8.6673 -8.6673 -6.6377 -6.6376 -5.1815 -5.1815 -0.0338 -0.0338 1.6772 1.6772 2.3321 2.3328 2.5951 2.5956 3.9011 3.9016 6.2440 6.2440 6.8833 6.8843 7.7685 7.7688 7.8842 7.8843 8.6077 8.6083 9.7015 9.7015 10.8317 10.8321 13.2201 13.2201 17.6215 17.6227 18.6280 18.6290 19.6516 19.6518 k = 0.2778-0.0000-0.0000 ( 1688 PWs) bands (ev): -8.6015 -8.6015 -6.5933 -6.5932 -5.1095 -5.1095 -0.0571 -0.0571 1.7230 1.7231 2.2259 2.2266 2.4885 2.4889 3.7565 3.7570 6.2900 6.2900 6.8449 6.8460 7.7542 7.7547 7.8946 7.8946 8.5256 8.5260 9.7579 9.7579 10.7057 10.7061 13.1877 13.1877 17.6933 17.6944 18.6760 18.6769 19.6182 19.6187 k = 0.2857-0.0000-0.0000 ( 1688 PWs) bands (ev): -8.5343 -8.5343 -6.5494 -6.5493 -5.0356 -5.0356 -0.0881 -0.0881 1.7649 1.7653 2.0974 2.0981 2.4187 2.4188 3.6174 3.6178 6.3367 6.3367 6.8027 6.8038 7.7253 7.7261 7.9040 7.9040 8.4571 8.4572 9.8156 9.8156 10.5853 10.5856 13.1537 13.1537 17.7651 17.7662 18.7235 18.7244 19.5730 19.5735 k = 0.2937-0.0000-0.0000 ( 1688 PWs) bands (ev): -8.4657 -8.4657 -6.5062 -6.5061 -4.9597 -4.9597 -0.1264 -0.1264 1.7992 1.8000 1.9553 1.9561 2.3791 2.3793 3.4852 3.4856 6.3840 6.3840 6.7563 6.7574 7.6787 7.6797 7.9124 7.9124 8.4053 8.4055 9.8746 9.8746 10.4707 10.4709 13.1180 13.1180 17.8368 17.8379 18.7699 18.7708 19.5240 19.5245 k = 0.3016-0.0000-0.0000 ( 1688 PWs) bands (ev): -8.3957 -8.3957 -6.4640 -6.4638 -4.8818 -4.8818 -0.1717 -0.1717 1.7790 1.7805 1.8525 1.8537 2.3616 2.3621 3.3624 3.3626 6.4318 6.4318 6.7058 6.7069 7.6133 7.6145 7.9198 7.9198 8.3713 8.3717 9.9348 9.9348 10.3620 10.3621 13.0807 13.0807 17.9084 17.9095 18.8143 18.8151 19.4724 19.4729 k = 0.3095-0.0000-0.0000 ( 1686 PWs) bands (ev): -8.3244 -8.3244 -6.4230 -6.4228 -4.8021 -4.8021 -0.2232 -0.2231 1.6358 1.6363 1.8612 1.8612 2.3615 2.3623 3.2515 3.2517 6.4801 6.4802 6.6511 6.6522 7.5307 7.5320 7.9259 7.9259 8.3538 8.3544 9.9961 9.9961 10.2592 10.2593 13.0418 13.0418 17.9798 17.9808 18.8558 18.8565 19.4191 19.4197 k = 0.3175-0.0000-0.0000 ( 1684 PWs) bands (ev): -8.2519 -8.2519 -6.3835 -6.3833 -4.7204 -4.7204 -0.2800 -0.2800 1.4813 1.4816 1.8663 1.8666 2.3761 2.3771 3.1562 3.1562 6.5289 6.5289 6.5922 6.5933 7.4340 7.4354 7.9308 7.9308 8.3497 8.3503 10.0586 10.0586 10.1624 10.1624 13.0013 13.0013 18.0507 18.0517 18.8931 18.8937 19.3652 19.3658 k = 0.3254-0.0000-0.0000 ( 1684 PWs) bands (ev): -8.1782 -8.1782 -6.3458 -6.3456 -4.6368 -4.6368 -0.3413 -0.3412 1.3263 1.3266 1.8561 1.8565 2.4030 2.4041 3.0798 3.0799 6.5290 6.5301 6.5779 6.5780 7.3266 7.3280 7.9344 7.9344 8.3556 8.3562 10.0715 10.0715 10.1222 10.1222 12.9591 12.9591 18.1209 18.1219 18.9250 18.9255 19.3115 19.3122 k = 0.3333-0.0000-0.0000 ( 1684 PWs) bands (ev): -8.1035 -8.1035 -6.3103 -6.3101 -4.5514 -4.5514 -0.4060 -0.4059 1.1728 1.1730 1.8275 1.8278 2.4403 2.4415 3.0256 3.0258 6.4619 6.4630 6.6272 6.6272 7.2114 7.2127 7.9366 7.9366 8.3687 8.3693 9.9863 9.9864 10.1868 10.1868 12.9152 12.9152 18.1900 18.1909 18.9500 18.9503 19.2595 19.2601 k = 0.3413-0.0000-0.0000 ( 1684 PWs) bands (ev): -8.0278 -8.0278 -6.2772 -6.2770 -4.4640 -4.4640 -0.4733 -0.4732 1.0215 1.0216 1.7794 1.7797 2.4863 2.4875 2.9951 2.9954 6.3908 6.3918 6.6767 6.6768 7.0904 7.0917 7.9373 7.9373 8.3870 8.3876 9.9068 9.9069 10.2523 10.2523 12.8698 12.8698 18.2574 18.2582 18.9665 18.9668 19.2106 19.2113 k = 0.3492-0.0000-0.0000 ( 1684 PWs) bands (ev): -7.9512 -7.9512 -6.2470 -6.2468 -4.3748 -4.3748 -0.5425 -0.5424 0.8732 0.8734 1.7131 1.7132 2.5396 2.5406 2.9876 2.9879 6.3161 6.3170 6.7264 6.7264 6.9652 6.9664 7.9365 7.9365 8.4090 8.4097 9.8326 9.8328 10.3188 10.3188 12.8227 12.8227 18.3222 18.3230 18.9728 18.9729 19.1678 19.1686 k = 0.3571-0.0000-0.0000 ( 1684 PWs) bands (ev): -7.8738 -7.8738 -6.2199 -6.2197 -4.2837 -4.2837 -0.6129 -0.6128 0.7287 0.7289 1.6313 1.6313 2.5992 2.6001 3.0004 3.0008 6.2378 6.2388 6.7760 6.7760 6.8370 6.8380 7.9341 7.9341 8.4338 8.4345 9.7636 9.7638 10.3861 10.3861 12.7740 12.7740 18.3834 18.3840 18.9663 18.9664 19.1351 19.1361 k = 0.3651-0.0000-0.0000 ( 1688 PWs) bands (ev): -7.7957 -7.7957 -6.1963 -6.1961 -4.1907 -4.1907 -0.6841 -0.6840 0.5889 0.5890 1.5375 1.5375 2.6644 2.6652 3.0301 3.0303 6.1564 6.1572 6.7064 6.7074 6.8256 6.8256 7.9301 7.9301 8.4606 8.4612 9.6994 9.6997 10.4542 10.4542 12.7238 12.7238 18.4393 18.4398 18.9458 18.9459 19.1165 19.1176 k = 0.3730-0.0000-0.0000 ( 1684 PWs) bands (ev): -7.7171 -7.7171 -6.1765 -6.1763 -4.0959 -4.0959 -0.7562 -0.7561 0.4546 0.4547 1.4352 1.4353 2.7348 2.7354 3.0730 3.0732 6.0720 6.0728 6.5744 6.5752 6.8751 6.8751 7.9244 7.9244 8.4888 8.4894 9.6396 9.6399 10.5230 10.5230 12.6720 12.6720 18.4881 18.4884 18.9141 18.9142 19.1127 19.1139 k = 0.3810-0.0000-0.0000 ( 1682 PWs) bands (ev): -7.6380 -7.6380 -6.1609 -6.1607 -3.9993 -3.9993 -0.8291 -0.8290 0.3270 0.3271 1.3275 1.3276 2.8099 2.8104 3.1261 3.1262 5.9850 5.9857 6.4412 6.4420 6.9243 6.9243 7.9170 7.9170 8.5180 8.5187 9.5840 9.5844 10.5925 10.5925 12.6187 12.6187 18.5277 18.5280 18.8763 18.8764 19.1221 19.1234 k = 0.3889-0.0000-0.0000 ( 1678 PWs) bands (ev): -7.5587 -7.5586 -6.1497 -6.1496 -3.9009 -3.9008 -0.9035 -0.9034 0.2073 0.2075 1.2165 1.2166 2.8894 2.8898 3.1872 3.1873 5.8956 5.8962 6.3075 6.3082 6.9733 6.9733 7.9078 7.9078 8.5481 8.5487 9.5322 9.5326 10.6626 10.6626 12.5639 12.5639 18.5567 18.5569 18.8362 18.8363 19.1439 19.1453 k = 0.3968-0.0000-0.0000 ( 1678 PWs) bands (ev): -7.4792 -7.4791 -6.1433 -6.1432 -3.8006 -3.8006 -0.9800 -0.9799 0.0971 0.0972 1.1041 1.1042 2.9730 2.9732 3.2544 3.2545 5.8043 5.8048 6.1737 6.1742 7.0218 7.0218 7.8968 7.8968 8.5786 8.5792 9.4838 9.4842 10.7331 10.7331 12.5077 12.5077 18.5747 18.5747 18.7961 18.7962 19.1777 19.1792 k = 0.4048-0.0000-0.0000 ( 1680 PWs) bands (ev): -7.3997 -7.3997 -6.1419 -6.1417 -3.6987 -3.6986 -1.0596 -1.0595 -0.0021 -0.0020 0.9916 0.9918 3.0602 3.0603 3.3263 3.3265 5.7113 5.7117 6.0400 6.0404 7.0698 7.0698 7.8840 7.8840 8.6094 8.6099 9.4385 9.4389 10.8041 10.8041 12.4501 12.4501 18.5825 18.5826 18.7572 18.7574 19.2223 19.2240 k = 0.4127-0.0000-0.0000 ( 1688 PWs) bands (ev): -7.3204 -7.3204 -6.1457 -6.1455 -3.5950 -3.5949 -1.1432 -1.1431 -0.0890 -0.0889 0.8803 0.8804 3.1508 3.1508 3.4020 3.4022 5.6170 5.6173 5.9069 5.9071 7.1172 7.1172 7.8694 7.8694 8.6403 8.6408 9.3959 9.3964 10.8755 10.8755 12.3911 12.3911 18.5823 18.5823 18.7202 18.7203 19.2761 19.2777 k = 0.4206-0.0000-0.0000 ( 1690 PWs) bands (ev): -7.2415 -7.2415 -6.1547 -6.1545 -3.4896 -3.4896 -1.2315 -1.2315 -0.1622 -0.1621 0.7709 0.7711 3.2442 3.2443 3.4805 3.4809 5.5219 5.5220 5.7747 5.7748 7.1639 7.1639 7.8529 7.8529 8.6712 8.6717 9.3559 9.3563 10.9471 10.9471 12.3309 12.3309 18.5763 18.5763 18.6856 18.6858 19.3369 19.3386 k = 0.4286-0.0000-0.0000 ( 1690 PWs) bands (ev): -7.1633 -7.1632 -6.1691 -6.1690 -3.3826 -3.3826 -1.3251 -1.3251 -0.2211 -0.2210 0.6643 0.6645 3.3402 3.3405 3.5613 3.5617 5.4260 5.4261 5.6439 5.6440 7.2098 7.2098 7.8347 7.8347 8.7019 8.7025 9.3180 9.3185 11.0190 11.0190 12.2695 12.2695 18.5665 18.5666 18.6537 18.6538 19.4029 19.4046 k = 0.4365-0.0000-0.0000 ( 1690 PWs) bands (ev): -7.0858 -7.0857 -6.1890 -6.1888 -3.2741 -3.2741 -1.4240 -1.4240 -0.2654 -0.2654 0.5613 0.5615 3.4383 3.4387 3.6435 3.6440 5.3300 5.3302 5.5150 5.5153 7.2548 7.2548 7.8147 7.8147 8.7324 8.7329 9.2822 9.2827 11.0909 11.0909 12.2069 12.2069 18.5548 18.5549 18.6247 18.6248 19.4724 19.4741 k = 0.4444-0.0000-0.0000 ( 1694 PWs) bands (ev): -7.0094 -7.0093 -6.2142 -6.2140 -3.1642 -3.1642 -1.5276 -1.5276 -0.2957 -0.2956 0.4626 0.4627 3.5380 3.5384 3.7265 3.7271 5.2341 5.2347 5.3887 5.3893 7.2988 7.2988 7.7929 7.7929 8.7623 8.7629 9.2482 9.2487 11.1628 11.1628 12.1432 12.1432 18.5424 18.5424 18.5987 18.5988 19.5441 19.5457 k = 0.4524-0.0000-0.0000 ( 1692 PWs) bands (ev): -6.9343 -6.9343 -6.2447 -6.2445 -3.0531 -3.0530 -1.6354 -1.6353 -0.3126 -0.3126 0.3689 0.3690 3.6385 3.6390 3.8093 3.8100 5.1391 5.1400 5.2663 5.2673 7.3417 7.3417 7.7695 7.7695 8.7916 8.7921 9.2161 9.2165 11.2347 11.2347 12.0786 12.0786 18.5303 18.5303 18.5760 18.5760 19.6168 19.6184 k = 0.4603-0.0000-0.0000 ( 1692 PWs) bands (ev): -6.8608 -6.8608 -6.2803 -6.2801 -2.9410 -2.9409 -1.7461 -1.7461 -0.3176 -0.3175 0.2812 0.2814 3.7385 3.7391 3.8908 3.8915 5.0453 5.0466 5.1495 5.1509 7.3831 7.3831 7.7445 7.7445 8.8199 8.8204 9.1857 9.1862 11.3063 11.3063 12.0132 12.0132 18.5191 18.5191 18.5565 18.5565 19.6893 19.6908 k = 0.4683-0.0000-0.0000 ( 1688 PWs) bands (ev): -6.7893 -6.7892 -6.3208 -6.3206 -2.8284 -2.8283 -1.8587 -1.8587 -0.3122 -0.3121 0.2008 0.2009 3.8364 3.8371 3.9690 3.9697 4.9536 4.9554 5.0413 5.0431 7.4231 7.4231 7.7183 7.7183 8.8467 8.8472 9.1575 9.1580 11.3774 11.3774 11.9471 11.9471 18.5094 18.5095 18.5404 18.5404 19.7601 19.7616 k = 0.4762-0.0000-0.0000 ( 1688 PWs) bands (ev): -6.7199 -6.7198 -6.3659 -6.3658 -2.7161 -2.7161 -1.9717 -1.9716 -0.2988 -0.2987 0.1295 0.1296 3.9288 3.9295 4.0410 4.0417 4.8658 4.8677 4.9464 4.9483 7.4608 7.4608 7.6912 7.6912 8.8712 8.8716 9.1322 9.1325 11.4477 11.4477 11.8807 11.8807 18.5016 18.5017 18.5277 18.5277 19.8272 19.8286 k = 0.4841-0.0000-0.0000 ( 1694 PWs) bands (ev): -6.6531 -6.6530 -6.4154 -6.4153 -2.6066 -2.6065 -2.0821 -2.0821 -0.2808 -0.2808 0.0704 0.0705 4.0098 4.0105 4.1019 4.1025 4.7870 4.7887 4.8705 4.8722 7.4952 7.4952 7.6643 7.6643 8.8920 8.8923 9.1109 9.1112 11.5163 11.5163 11.8149 11.8149 18.4960 18.4960 18.5185 18.5185 19.8869 19.8881 k = 0.4921-0.0000-0.0000 ( 1694 PWs) bands (ev): -6.5894 -6.5893 -6.4686 -6.4685 -2.5076 -2.5076 -2.1817 -2.1817 -0.2642 -0.2642 0.0293 0.0293 4.0690 4.0694 4.1444 4.1448 4.7287 4.7297 4.8203 4.8212 7.5233 7.5233 7.6408 7.6408 8.9066 8.9068 9.0961 9.0963 11.5798 11.5798 11.7530 11.7530 18.4925 18.4925 18.5130 18.5130 19.9320 19.9327 k = 0.5000-0.0000-0.0000 ( 1698 PWs) bands (ev): -6.5387 -6.5387 -6.5158 -6.5158 -2.4562 -2.4562 -2.2333 -2.2333 -0.2572 -0.2572 0.0141 0.0141 4.0916 4.0916 4.1601 4.1601 4.7067 4.7067 4.8027 4.8027 7.5357 7.5357 7.6298 7.6298 8.9120 8.9120 9.0907 9.0907 11.6161 11.6161 11.7173 11.7173 18.4914 18.4914 18.5111 18.5111 19.9501 19.9501 k = 0.5000-0.0000-0.0000 ( 1698 PWs) bands (ev): -6.5387 -6.5387 -6.5158 -6.5158 -2.4562 -2.4562 -2.2333 -2.2333 -0.2572 -0.2572 0.0141 0.0141 4.0916 4.0916 4.1601 4.1601 4.7067 4.7067 4.8027 4.8027 7.5357 7.5357 7.6298 7.6298 8.9120 8.9120 9.0907 9.0907 11.6161 11.6161 11.7173 11.7173 18.4914 18.4914 18.5111 18.5111 19.9501 19.9501 k = 0.5000 0.0079-0.0000 ( 1694 PWs) bands (ev): -6.5379 -6.5379 -6.5150 -6.5150 -2.4553 -2.4552 -2.2324 -2.2324 -0.2561 -0.2561 0.0150 0.0150 4.0921 4.0921 4.1604 4.1604 4.7075 4.7075 4.8031 4.8031 7.5315 7.5315 7.6255 7.6255 8.9113 8.9113 9.0899 9.0899 11.6106 11.6107 11.7114 11.7114 18.4921 18.4921 18.5120 18.5121 19.9537 19.9542 k = 0.5000 0.0158-0.0000 ( 1694 PWs) bands (ev): -6.5355 -6.5354 -6.5125 -6.5125 -2.4523 -2.4523 -2.2296 -2.2295 -0.2531 -0.2531 0.0179 0.0179 4.0937 4.0938 4.1612 4.1613 4.7098 4.7098 4.8042 4.8043 7.5188 7.5188 7.6124 7.6125 8.9090 8.9091 9.0874 9.0874 11.5944 11.5946 11.6937 11.6938 18.4941 18.4942 18.5147 18.5149 19.9647 19.9656 k = 0.5000 0.0237-0.0000 ( 1694 PWs) bands (ev): -6.5314 -6.5314 -6.5085 -6.5085 -2.4474 -2.4474 -2.2249 -2.2248 -0.2480 -0.2480 0.0227 0.0227 4.0965 4.0966 4.1626 4.1627 4.7136 4.7136 4.8061 4.8062 7.4978 7.4978 7.5907 7.5910 8.9053 8.9054 9.0833 9.0833 11.5675 11.5678 11.6643 11.6645 18.4976 18.4976 18.5192 18.5194 19.9815 19.9830 k = 0.5000 0.0316-0.0000 ( 1698 PWs) bands (ev): -6.5258 -6.5257 -6.5028 -6.5028 -2.4405 -2.4405 -2.2183 -2.2182 -0.2409 -0.2409 0.0294 0.0294 4.1003 4.1004 4.1645 4.1647 4.7189 4.7190 4.8087 4.8089 7.4685 7.4685 7.5606 7.5609 8.9000 8.9001 9.0774 9.0774 11.5302 11.5305 11.6237 11.6239 18.5023 18.5024 18.5253 18.5256 20.0015 20.0036 k = 0.5000 0.0395-0.0000 ( 1694 PWs) bands (ev): -6.5185 -6.5185 -6.4955 -6.4955 -2.4317 -2.4316 -2.2098 -2.2098 -0.2318 -0.2318 0.0380 0.0380 4.1052 4.1054 4.1670 4.1672 4.7258 4.7258 4.8121 4.8123 7.4314 7.4314 7.5225 7.5228 8.8931 8.8933 9.0699 9.0699 11.4828 11.4832 11.5722 11.5724 18.5082 18.5083 18.5329 18.5333 20.0190 20.0217 k = 0.5000 0.0474-0.0000 ( 1694 PWs) bands (ev): -6.5096 -6.5096 -6.4866 -6.4865 -2.4209 -2.4208 -2.1995 -2.1995 -0.2207 -0.2206 0.0485 0.0485 4.1111 4.1113 4.1700 4.1703 4.7341 4.7341 4.8162 4.8164 7.3865 7.3865 7.4763 7.4767 8.8847 8.8849 9.0606 9.0606 11.4256 11.4261 11.5101 11.5104 18.5154 18.5155 18.5419 18.5423 20.0242 20.0276 k = 0.5000 0.0553-0.0000 ( 1694 PWs) bands (ev): -6.4992 -6.4991 -6.4761 -6.4760 -2.4081 -2.4081 -2.1873 -2.1873 -0.2075 -0.2075 0.0608 0.0609 4.1181 4.1183 4.1734 4.1738 4.7438 4.7439 4.8210 4.8213 7.3342 7.3342 7.4226 7.4231 8.8746 8.8748 9.0496 9.0496 11.3592 11.3598 11.4381 11.4385 18.5236 18.5237 18.5521 18.5526 20.0049 20.0086 k = 0.5000 0.0632-0.0000 ( 1698 PWs) bands (ev): -6.4871 -6.4871 -6.4639 -6.4639 -2.3934 -2.3934 -2.1733 -2.1732 -0.1924 -0.1923 0.0751 0.0751 4.1261 4.1263 4.1773 4.1778 4.7550 4.7550 4.8264 4.8267 7.2748 7.2748 7.3616 7.3621 8.8629 8.8631 9.0368 9.0368 11.2840 11.2847 11.3568 11.3572 18.5327 18.5329 18.5633 18.5639 19.9544 19.9579 k = 0.5000 0.0711-0.0000 ( 1694 PWs) bands (ev): -6.4735 -6.4734 -6.4503 -6.4502 -2.3768 -2.3767 -2.1574 -2.1573 -0.1752 -0.1752 0.0912 0.0913 4.1350 4.1353 4.1817 4.1822 4.7676 4.7676 4.8324 4.8328 7.2089 7.2089 7.2939 7.2945 8.8495 8.8497 9.0222 9.0222 11.2006 11.2014 11.2667 11.2672 18.5427 18.5429 18.5754 18.5761 19.8778 19.8808 k = 0.5000 0.0790-0.0000 ( 1694 PWs) bands (ev): -6.4583 -6.4582 -6.4350 -6.4350 -2.3582 -2.3582 -2.1396 -2.1396 -0.1561 -0.1561 0.1093 0.1093 4.1449 4.1452 4.1864 4.1870 4.7814 4.7815 4.8391 4.8395 7.1366 7.1367 7.2197 7.2203 8.8343 8.8345 9.0057 9.0058 11.1095 11.1103 11.1686 11.1691 18.5533 18.5535 18.5882 18.5889 19.7840 19.7866 k = 0.5000 0.0869-0.0000 ( 1696 PWs) bands (ev): -6.4416 -6.4415 -6.4182 -6.4181 -2.3377 -2.3377 -2.1201 -2.1200 -0.1351 -0.1350 0.1291 0.1292 4.1556 4.1560 4.1915 4.1921 4.7966 4.7966 4.8462 4.8467 7.0585 7.0587 7.1396 7.1403 8.8174 8.8175 8.9874 8.9875 11.0112 11.0122 11.0631 11.0636 18.5643 18.5646 18.6014 18.6021 19.6800 19.6821 k = 0.5000 0.0948-0.0000 ( 1696 PWs) bands (ev): -6.4233 -6.4232 -6.3998 -6.3998 -2.3153 -2.3153 -2.0987 -2.0986 -0.1120 -0.1120 0.1508 0.1509 4.1672 4.1676 4.1968 4.1975 4.8130 4.8130 4.8538 4.8544 6.9751 6.9753 7.0540 7.0547 8.7986 8.7987 8.9672 8.9673 10.9065 10.9075 10.9508 10.9514 18.5756 18.5760 18.6149 18.6157 19.5698 19.5716 k = 0.5000 0.1027-0.0000 ( 1696 PWs) bands (ev): -6.4035 -6.4035 -6.3800 -6.3799 -2.2910 -2.2909 -2.0755 -2.0754 -0.0871 -0.0870 0.1743 0.1744 4.1795 4.1800 4.2024 4.2031 4.8304 4.8305 4.8619 4.8625 6.8869 6.8872 6.9634 6.9642 8.7779 8.7780 8.9450 8.9452 10.7958 10.7970 10.8325 10.8331 18.5868 18.5872 18.6284 18.6292 19.4558 19.4573 k = 0.5000 0.1106-0.0000 ( 1696 PWs) bands (ev): -6.3823 -6.3822 -6.3586 -6.3585 -2.2648 -2.2647 -2.0505 -2.0504 -0.0603 -0.0602 0.1997 0.1997 4.1925 4.1930 4.2081 4.2089 4.8489 4.8490 4.8702 4.8709 6.7944 6.7947 6.8685 6.8693 8.7554 8.7554 8.9208 8.9211 10.6798 10.6810 10.7088 10.7095 18.5975 18.5979 18.6417 18.6425 19.3397 19.3409 k = 0.5000 0.1185-0.0000 ( 1688 PWs) bands (ev): -6.3595 -6.3594 -6.3357 -6.3357 -2.2367 -2.2366 -2.0238 -2.0237 -0.0315 -0.0314 0.2268 0.2268 4.2061 4.2067 4.2138 4.2148 4.8684 4.8685 4.8789 4.8796 6.6981 6.6985 6.7696 6.7705 8.7309 8.7309 8.8946 8.8949 10.5590 10.5603 10.5803 10.5811 18.6071 18.6076 18.6544 18.6552 19.2224 19.2233 k = 0.5000 0.1264-0.0000 ( 1686 PWs) bands (ev): -6.3353 -6.3353 -6.3114 -6.3113 -2.2068 -2.2067 -1.9953 -1.9951 -0.0009 -0.0008 0.2556 0.2557 4.2191 4.2201 4.2205 4.2212 4.8870 4.8878 4.8892 4.8894 6.5984 6.5989 6.6673 6.6682 8.7043 8.7044 8.8664 8.8667 10.4340 10.4354 10.4477 10.4485 18.6148 18.6154 18.6660 18.6668 19.1048 19.1055 k = 0.5000 0.1343-0.0000 ( 1682 PWs) bands (ev): -6.3097 -6.3096 -6.2856 -6.2856 -2.1750 -2.1749 -1.9650 -1.9649 0.0315 0.0316 0.2863 0.2863 4.2249 4.2261 4.2347 4.2354 4.8962 4.8972 4.9096 4.9097 6.4962 6.4967 6.5622 6.5632 8.6757 8.6758 8.8360 8.8364 10.3054 10.3068 10.3117 10.3125 18.6193 18.6200 18.6756 18.6764 18.9882 18.9886 k = 0.5000 0.1422-0.0000 ( 1690 PWs) bands (ev): -6.2828 -6.2827 -6.2585 -6.2584 -2.1414 -2.1413 -1.9331 -1.9329 0.0657 0.0658 0.3186 0.3186 4.2301 4.2313 4.2493 4.2501 4.9049 4.9060 4.9308 4.9309 6.3917 6.3924 6.4547 6.4558 8.6449 8.6451 8.8034 8.8039 10.1726 10.1735 10.1735 10.1751 18.6188 18.6195 18.6808 18.6812 18.8750 18.8752 k = 0.5000 0.1501-0.0000 ( 1694 PWs) bands (ev): -6.2544 -6.2543 -6.2299 -6.2299 -2.1059 -2.1059 -1.8994 -1.8993 0.1017 0.1018 0.3526 0.3526 4.2347 4.2361 4.2639 4.2649 4.9133 4.9145 4.9521 4.9523 6.2860 6.2868 6.3457 6.3468 8.6119 8.6122 8.7687 8.7693 10.0314 10.0323 10.0392 10.0408 18.6103 18.6112 18.6686 18.6693 18.7772 18.7785 k = 0.5000 0.1580-0.0000 ( 1694 PWs) bands (ev): -6.2247 -6.2246 -6.2000 -6.2000 -2.0687 -2.0686 -1.8641 -1.8639 0.1394 0.1396 0.3883 0.3883 4.2387 4.2403 4.2784 4.2795 4.9213 4.9227 4.9731 4.9734 6.1798 6.1807 6.2357 6.2369 8.5765 8.5769 8.7316 8.7323 9.8884 9.8894 9.9027 9.9045 18.5901 18.5910 18.5992 18.6004 18.7354 18.7376 k = 0.5000 0.1658-0.0000 ( 1690 PWs) bands (ev): -6.1937 -6.1936 -6.1689 -6.1688 -2.0298 -2.0297 -1.8271 -1.8270 0.1788 0.1790 0.4256 0.4256 4.2418 4.2435 4.2924 4.2936 4.9286 4.9301 4.9933 4.9937 6.0741 6.0751 6.1255 6.1267 8.5387 8.5393 8.6922 8.6930 9.7444 9.7455 9.7648 9.7667 18.4932 18.4943 18.5533 18.5544 18.7296 18.7316 k = 0.5000 0.1737-0.0000 ( 1694 PWs) bands (ev): -6.1615 -6.1614 -6.1364 -6.1363 -1.9891 -1.9889 -1.7886 -1.7884 0.2199 0.2201 0.4644 0.4644 4.2436 4.2456 4.3056 4.3069 4.9349 4.9367 5.0120 5.0125 5.9699 5.9710 6.0158 6.0171 8.4982 8.4989 8.6503 8.6512 9.6001 9.6013 9.6260 9.6280 18.3807 18.3815 18.4971 18.4981 18.7287 18.7306 k = 0.5000 0.1816-0.0000 ( 1702 PWs) bands (ev): -6.1281 -6.1280 -6.1027 -6.1026 -1.9466 -1.9465 -1.7484 -1.7483 0.2626 0.2627 0.5048 0.5048 4.2438 4.2461 4.3175 4.3191 4.9399 4.9419 5.0281 5.0288 5.8690 5.8702 5.9076 5.9090 8.4548 8.4555 8.6058 8.6068 9.4562 9.4575 9.4868 9.4889 18.2671 18.2677 18.4220 18.4230 18.7268 18.7287 k = 0.5000 0.1895-0.0000 ( 1702 PWs) bands (ev): -6.0935 -6.0934 -6.0678 -6.0677 -1.9025 -1.9024 -1.7068 -1.7066 0.3067 0.3069 0.5467 0.5467 4.2420 4.2445 4.3276 4.3294 4.9431 4.9455 5.0401 5.0409 5.7735 5.7747 5.8021 5.8038 8.4079 8.4088 8.5583 8.5595 9.3137 9.3151 9.3480 9.3503 18.1539 18.1544 18.3322 18.3332 18.7223 18.7242 k = 0.5000 0.1974-0.0000 ( 1702 PWs) bands (ev): -6.0578 -6.0576 -6.0318 -6.0317 -1.8568 -1.8567 -1.6636 -1.6634 0.3524 0.3526 0.5900 0.5900 4.2377 4.2405 4.3352 4.3372 4.9441 4.9469 5.0456 5.0467 5.6862 5.6874 5.7008 5.7026 8.3570 8.3581 8.5075 8.5088 9.1735 9.1750 9.2104 9.2129 18.0415 18.0419 18.2323 18.2332 18.7145 18.7165 k = 0.5000 0.2053-0.0000 ( 1706 PWs) bands (ev): -6.0210 -6.0208 -5.9947 -5.9946 -1.8094 -1.8093 -1.6189 -1.6188 0.3995 0.3997 0.6347 0.6347 4.2299 4.2331 4.3393 4.3415 4.9420 4.9452 5.0416 5.0432 5.6051 5.6073 5.6112 5.6124 8.3012 8.3025 8.4529 8.4543 9.0370 9.0387 9.0751 9.0777 17.9301 17.9304 18.1260 18.1267 18.7030 18.7049 k = 0.5000 0.2132-0.0000 ( 1706 PWs) bands (ev): -5.9832 -5.9830 -5.9565 -5.9564 -1.7605 -1.7604 -1.5729 -1.5727 0.4479 0.4481 0.6807 0.6807 4.2181 4.2216 4.3388 4.3412 4.9361 4.9399 5.0249 5.0272 5.5176 5.5200 5.5522 5.5532 8.2395 8.2409 8.3935 8.3950 8.9059 8.9077 8.9433 8.9460 17.8200 17.8202 18.0156 18.0162 18.6873 18.6892 k = 0.5000 0.2211-0.0000 ( 1710 PWs) bands (ev): -5.9444 -5.9443 -5.9174 -5.9173 -1.7100 -1.7099 -1.5255 -1.5253 0.4975 0.4978 0.7279 0.7279 4.2010 4.2050 4.3320 4.3347 4.9258 4.9302 4.9940 4.9971 5.4401 5.4429 5.5122 5.5128 8.1702 8.1718 8.3281 8.3298 8.7822 8.7841 8.8168 8.8197 17.7112 17.7114 17.9027 17.9033 18.6676 18.6694 k = 0.5000 0.2290-0.0000 ( 1704 PWs) bands (ev): -5.9048 -5.9046 -5.8773 -5.8772 -1.6581 -1.6579 -1.4768 -1.4766 0.5484 0.5487 0.7763 0.7763 4.1776 4.1820 4.3173 4.3203 4.9110 4.9160 4.9507 4.9544 5.3747 5.3779 5.4904 5.4907 8.0919 8.0936 8.2551 8.2568 8.6679 8.6699 8.6978 8.7006 17.6038 17.6039 17.7885 17.7890 18.6437 18.6455 k = 0.5000 0.2369-0.0000 ( 1704 PWs) bands (ev): -5.8643 -5.8642 -5.8364 -5.8363 -1.6047 -1.6046 -1.4269 -1.4267 0.6002 0.6005 0.8257 0.8258 4.1466 4.1514 4.2929 4.2961 4.8923 4.8978 4.8997 4.9040 5.3227 5.3261 5.4835 5.4836 8.0033 8.0050 8.1729 8.1745 8.5647 8.5667 8.5883 8.5911 17.4979 17.4980 17.6734 17.6739 18.6159 18.6176 k = 0.5000 0.2448-0.0000 ( 1704 PWs) bands (ev): -5.8231 -5.8230 -5.7948 -5.7947 -1.5499 -1.5498 -1.3758 -1.3756 0.6529 0.6533 0.8761 0.8762 4.1068 4.1120 4.2575 4.2609 4.8461 4.8510 4.8718 4.8775 5.2834 5.2870 5.4870 5.4871 7.9043 7.9059 8.0803 8.0817 8.4734 8.4753 8.4900 8.4926 17.3935 17.3936 17.5581 17.5584 18.5843 18.5860 k = 0.5000 0.2527-0.0000 ( 1704 PWs) bands (ev): -5.7812 -5.7811 -5.7524 -5.7523 -1.4939 -1.4937 -1.3236 -1.3234 0.7065 0.7069 0.9273 0.9274 4.0577 4.0631 4.2106 4.2140 4.7947 4.7999 4.8515 4.8572 5.2553 5.2589 5.4973 5.4975 7.7958 7.7973 7.9779 7.9789 8.3934 8.3952 8.4029 8.4051 17.2907 17.2907 17.4427 17.4430 18.5494 18.5509 k = 0.5000 0.2606-0.0000 ( 1704 PWs) bands (ev): -5.7388 -5.7386 -5.7094 -5.7093 -1.4365 -1.4364 -1.2705 -1.2703 0.7606 0.7610 0.9792 0.9793 3.9993 4.0049 4.1530 4.1564 4.7477 4.7532 4.8332 4.8387 5.2358 5.2393 5.5118 5.5121 7.6798 7.6812 7.8675 7.8681 8.3234 8.3249 8.3256 8.3274 17.1896 17.1896 17.3276 17.3279 18.5115 18.5129 k = 0.5000 0.2685-0.0000 ( 1700 PWs) bands (ev): -5.6958 -5.6957 -5.6659 -5.6657 -1.3780 -1.3778 -1.2163 -1.2161 0.8152 0.8157 1.0317 1.0318 3.9325 3.9381 4.0865 4.0898 4.7062 4.7117 4.8173 4.8225 5.2226 5.2260 5.5288 5.5291 7.5585 7.5597 7.7516 7.7518 8.2560 8.2574 8.2616 8.2630 17.0902 17.0903 17.2130 17.2132 18.4709 18.4722 k = 0.5000 0.2764-0.0000 ( 1696 PWs) bands (ev): -5.6524 -5.6523 -5.6219 -5.6218 -1.3184 -1.3182 -1.1614 -1.1612 0.8700 0.8705 1.0844 1.0846 3.8585 3.8641 4.0132 4.0165 4.6699 4.6754 4.8034 4.8083 5.2140 5.2172 5.5469 5.5473 7.4339 7.4350 7.6324 7.6326 8.1923 8.1934 8.2066 8.2078 16.9927 16.9928 17.0991 17.0993 18.4282 18.4293 k = 0.5000 0.2843-0.0000 ( 1696 PWs) bands (ev): -5.6087 -5.6086 -5.5776 -5.5775 -1.2578 -1.2576 -1.1058 -1.1056 0.9248 0.9254 1.1373 1.1375 3.7793 3.7847 3.9356 3.9387 4.6378 4.6431 4.7903 4.7949 5.2085 5.2116 5.5654 5.5658 7.3077 7.3087 7.5118 7.5124 8.1332 8.1340 8.1572 8.1582 16.8971 16.8972 16.9861 16.9862 18.3834 18.3845 k = 0.5000 0.2922-0.0000 ( 1696 PWs) bands (ev): -5.5649 -5.5647 -5.5330 -5.5329 -1.1962 -1.1961 -1.0495 -1.0493 0.9793 0.9800 1.1901 1.1903 3.6965 3.7018 3.8557 3.8588 4.6086 4.6138 4.7770 4.7813 5.2054 5.2084 5.5836 5.5840 7.1813 7.1821 7.3915 7.3923 8.0777 8.0783 8.1126 8.1135 16.8035 16.8036 16.8741 16.8742 18.3371 18.3380 k = 0.5000 0.3001-0.0000 ( 1700 PWs) bands (ev): -5.5209 -5.5207 -5.4884 -5.4883 -1.1339 -1.1337 -0.9928 -0.9926 1.0333 1.0340 1.2425 1.2428 3.6119 3.6170 3.7753 3.7784 4.5813 4.5863 4.7623 4.7662 5.2040 5.2068 5.6011 5.6015 7.0556 7.0563 7.2725 7.2736 8.0254 8.0258 8.0724 8.0731 16.7121 16.7122 16.7633 16.7634 18.2895 18.2903 k = 0.5000 0.3080-0.0000 ( 1696 PWs) bands (ev): -5.4769 -5.4768 -5.4437 -5.4436 -1.0708 -1.0707 -0.9358 -0.9356 1.0863 1.0871 1.2941 1.2944 3.5270 3.5319 3.6962 3.6993 4.5547 4.5595 4.7452 4.7489 5.2038 5.2064 5.6175 5.6179 6.9314 6.9319 7.1558 7.1571 7.9760 7.9762 8.0363 8.0369 16.6229 16.6231 16.6540 16.6540 18.2407 18.2414 k = 0.5000 0.3159-0.0000 ( 1696 PWs) bands (ev): -5.4332 -5.4330 -5.3992 -5.3990 -1.0072 -1.0071 -0.8786 -0.8784 1.1381 1.1389 1.3446 1.3450 3.4431 3.4479 3.6195 3.6226 4.5280 4.5326 4.7250 4.7284 5.2043 5.2068 5.6325 5.6330 6.8093 6.8097 7.0419 7.0434 7.9293 7.9294 8.0041 8.0046 16.5361 16.5363 16.5463 16.5464 18.1911 18.1917 k = 0.5000 0.3238-0.0000 ( 1688 PWs) bands (ev): -5.3896 -5.3895 -5.3549 -5.3547 -0.9432 -0.9430 -0.8214 -0.8212 1.1881 1.1890 1.3935 1.3939 3.3615 3.3661 3.5466 3.5496 4.5006 4.5050 4.7013 4.7045 5.2051 5.2075 5.6460 5.6466 6.6898 6.6902 6.9315 6.9332 7.8853 7.8854 7.9758 7.9762 16.4405 16.4406 16.4519 16.4521 18.1409 18.1413 k = 0.5000 0.3317-0.0000 ( 1688 PWs) bands (ev): -5.3466 -5.3464 -5.3110 -5.3109 -0.8789 -0.8787 -0.7644 -0.7642 1.2360 1.2369 1.4402 1.4407 3.2832 3.2878 3.4783 3.4814 4.4717 4.4760 4.6737 4.6766 5.2058 5.2080 5.6579 5.6585 6.5734 6.5737 6.8252 6.8270 7.8440 7.8442 7.9513 7.9517 16.3368 16.3369 16.3703 16.3705 18.0903 18.0906 k = 0.5000 0.3396-0.0000 ( 1688 PWs) bands (ev): -5.3041 -5.3039 -5.2676 -5.2675 -0.8145 -0.8143 -0.7078 -0.7076 1.2811 1.2822 1.4841 1.4846 3.2094 3.2139 3.4158 3.4189 4.4412 4.4454 4.6421 4.6448 5.2057 5.2078 5.6681 5.6687 6.4605 6.4607 6.7235 6.7254 7.8054 7.8057 7.9305 7.9308 16.2355 16.2356 16.2915 16.2917 18.0394 18.0396 k = 0.5000 0.3475-0.0000 ( 1690 PWs) bands (ev): -5.2623 -5.2621 -5.2250 -5.2249 -0.7502 -0.7501 -0.6518 -0.6516 1.3231 1.3242 1.5245 1.5251 3.1411 3.1455 3.3598 3.3631 4.4087 4.4127 4.6065 4.6091 5.2043 5.2063 5.6763 5.6771 6.3515 6.3515 6.6268 6.6288 7.7697 7.7700 7.9134 7.9136 16.1368 16.1369 16.2156 16.2158 17.9685 17.9690 k = 0.5000 0.3554-0.0000 ( 1694 PWs) bands (ev): -5.2213 -5.2212 -5.1832 -5.1831 -0.6863 -0.6861 -0.5967 -0.5965 1.3613 1.3625 1.5607 1.5614 3.0793 3.0837 3.3114 3.3146 4.3741 4.3780 4.5672 4.5696 5.2009 5.2028 5.6827 5.6835 6.2465 6.2467 6.5359 6.5380 7.7367 7.7371 7.8997 7.8999 16.0411 16.0412 16.1428 16.1430 17.8952 17.8957 k = 0.5000 0.3633-0.0000 ( 1694 PWs) bands (ev): -5.1815 -5.1813 -5.1424 -5.1423 -0.6228 -0.6226 -0.5426 -0.5424 1.3954 1.3967 1.5918 1.5926 3.0250 3.0294 3.2710 3.2744 4.3375 4.3413 4.5244 4.5267 5.1949 5.1968 5.6868 5.6878 6.1464 6.1467 6.4512 6.4533 7.7066 7.7070 7.8894 7.8895 15.9486 15.9487 16.0732 16.0734 17.8245 17.8249 k = 0.5000 0.3712-0.0000 ( 1694 PWs) bands (ev): -5.1428 -5.1427 -5.1028 -5.1027 -0.5602 -0.5600 -0.4899 -0.4897 1.4250 1.4263 1.6172 1.6180 2.9792 2.9835 3.2394 3.2429 4.2990 4.3028 4.4785 4.4807 5.1858 5.1875 5.6882 5.6894 6.0518 6.0523 6.3732 6.3753 7.6792 7.6796 7.8821 7.8822 15.8595 15.8597 16.0070 16.0072 17.7567 17.7571 k = 0.5000 0.3791-0.0000 ( 1694 PWs) bands (ev): -5.1055 -5.1054 -5.0646 -5.0645 -0.4986 -0.4985 -0.4388 -0.4387 1.4498 1.4512 1.6361 1.6370 2.9423 2.9466 3.2169 3.2204 4.2589 4.2626 4.4300 4.4321 5.1727 5.1743 5.6857 5.6871 5.9643 5.9651 6.3024 6.3046 7.6545 7.6549 7.8777 7.8777 15.7743 15.7745 15.9443 15.9444 17.6922 17.6926 k = 0.5000 0.3870-0.0000 ( 1694 PWs) bands (ev): -5.0698 -5.0697 -5.0280 -5.0279 -0.4385 -0.4383 -0.3897 -0.3895 1.4698 1.4712 1.6483 1.6492 2.9149 2.9191 3.2036 3.2072 4.2177 4.2213 4.3794 4.3814 5.1555 5.1570 5.6763 5.6781 5.8870 5.8882 6.2393 6.2413 7.6323 7.6328 7.8758 7.8758 15.6933 15.6934 15.8852 15.8854 17.6313 17.6317 k = 0.5000 0.3949-0.0000 ( 1694 PWs) bands (ev): -5.0358 -5.0357 -4.9931 -4.9930 -0.3800 -0.3799 -0.3428 -0.3426 1.4852 1.4865 1.6538 1.6547 2.8968 2.9010 3.1995 3.2030 4.1757 4.1792 4.3271 4.3292 5.1339 5.1352 5.6543 5.6564 5.8262 5.8277 6.1839 6.1859 7.6127 7.6132 7.8760 7.8760 15.6167 15.6168 15.8299 15.8301 17.5742 17.5746 k = 0.5000 0.4028-0.0000 ( 1698 PWs) bands (ev): -5.0037 -5.0036 -4.9602 -4.9601 -0.3237 -0.3235 -0.2984 -0.2983 1.4962 1.4975 1.6530 1.6539 2.8876 2.8916 3.2040 3.2075 4.1336 4.1370 4.2739 4.2759 5.1080 5.1092 5.6142 5.6162 5.7880 5.7895 6.1363 6.1382 7.5954 7.5958 7.8779 7.8780 15.5448 15.5450 15.7785 15.7786 17.5211 17.5215 k = 0.5000 0.4107-0.0000 ( 1694 PWs) bands (ev): -4.9737 -4.9736 -4.9293 -4.9292 -0.2699 -0.2697 -0.2569 -0.2567 1.5035 1.5047 1.6467 1.6475 2.8863 2.8901 3.2166 3.2201 4.0919 4.0952 4.2201 4.2221 5.0783 5.0793 5.5598 5.5615 5.7688 5.7700 6.0963 6.0980 7.5802 7.5807 7.8814 7.8814 15.4780 15.4782 15.7311 15.7313 17.4722 17.4725 k = 0.5000 0.4186-0.0000 ( 1692 PWs) bands (ev): -4.9459 -4.9458 -4.9007 -4.9007 -0.2190 -0.2189 -0.2184 -0.2183 1.5075 1.5087 1.6360 1.6367 2.8916 2.8953 3.2364 3.2399 4.0515 4.0546 4.1664 4.1684 5.0455 5.0463 5.5002 5.5015 5.7597 5.7606 6.0632 6.0648 7.5672 7.5676 7.8858 7.8859 15.4166 15.4167 15.6879 15.6880 17.4276 17.4279 k = 0.5000 0.4265-0.0000 ( 1696 PWs) bands (ev): -4.9205 -4.9205 -4.8746 -4.8746 -0.1834 -0.1833 -0.1716 -0.1714 1.5091 1.5102 1.6220 1.6226 2.9020 2.9054 3.2623 3.2658 4.0128 4.0158 4.1132 4.1152 5.0107 5.0114 5.4413 5.4423 5.7551 5.7558 6.0365 6.0379 7.5560 7.5564 7.8910 7.8910 15.3607 15.3609 15.6489 15.6490 17.3874 17.3877 k = 0.5000 0.4344-0.0000 ( 1696 PWs) bands (ev): -4.8978 -4.8977 -4.8512 -4.8511 -0.1519 -0.1518 -0.1281 -0.1279 1.5089 1.5099 1.6062 1.6067 2.9159 2.9190 3.2933 3.2966 3.9768 3.9795 4.0610 4.0631 4.9751 4.9757 5.3858 5.3867 5.7527 5.7532 6.0153 6.0165 7.5465 7.5469 7.8964 7.8965 15.3108 15.3109 15.6143 15.6144 17.3517 17.3520 k = 0.5000 0.4423-0.0000 ( 1700 PWs) bands (ev): -4.8777 -4.8776 -4.8305 -4.8304 -0.1243 -0.1243 -0.0889 -0.0888 1.5075 1.5083 1.5897 1.5902 2.9317 2.9345 3.3279 3.3311 3.9439 3.9465 4.0105 4.0126 4.9403 4.9407 5.3355 5.3362 5.7513 5.7517 5.9988 5.9998 7.5386 7.5389 7.9019 7.9019 15.2670 15.2671 15.5841 15.5842 17.3207 17.3209 k = 0.5000 0.4502-0.0000 ( 1696 PWs) bands (ev): -4.8605 -4.8604 -4.8127 -4.8127 -0.1007 -0.1007 -0.0547 -0.0546 1.5055 1.5062 1.5738 1.5742 2.9479 2.9504 3.3648 3.3679 3.9150 3.9172 3.9622 3.9643 4.9075 4.9079 5.2912 5.2918 5.7506 5.7509 5.9862 5.9870 7.5322 7.5325 7.9070 7.9071 15.2296 15.2297 15.5584 15.5585 17.2943 17.2945 k = 0.5000 0.4581-0.0000 ( 1700 PWs) bands (ev): -4.8462 -4.8462 -4.7980 -4.7980 -0.0813 -0.0812 -0.0259 -0.0258 1.5034 1.5040 1.5593 1.5596 2.9633 2.9653 3.4023 3.4051 3.8905 3.8924 3.9170 3.9190 4.8784 4.8786 5.2538 5.2543 5.7502 5.7504 5.9769 5.9775 7.5272 7.5274 7.9116 7.9117 15.1986 15.1987 15.5373 15.5373 17.2727 17.2729 k = 0.5000 0.4660-0.0000 ( 1696 PWs) bands (ev): -4.8350 -4.8350 -4.7865 -4.7864 -0.0660 -0.0660 -0.0029 -0.0029 1.5014 1.5019 1.5473 1.5475 2.9766 2.9782 3.4382 3.4406 3.8709 3.8725 3.8764 3.8781 4.8541 4.8543 5.2241 5.2244 5.7500 5.7501 5.9702 5.9707 7.5233 7.5235 7.9154 7.9155 15.1744 15.1745 15.5208 15.5209 17.2558 17.2560 k = 0.5000 0.4739-0.0000 ( 1700 PWs) bands (ev): -4.8270 -4.8269 -4.7781 -4.7781 -0.0551 -0.0550 0.0138 0.0138 1.4999 1.5002 1.5382 1.5383 2.9868 2.9879 3.4694 3.4713 3.8424 3.8439 3.8569 3.8578 4.8359 4.8360 5.2024 5.2026 5.7499 5.7500 5.9658 5.9661 7.5207 7.5208 7.9183 7.9183 15.1570 15.1571 15.5090 15.5090 17.2438 17.2439 k = 0.5000 0.4818-0.0000 ( 1700 PWs) bands (ev): -4.8221 -4.8221 -4.7731 -4.7731 -0.0485 -0.0485 0.0239 0.0240 1.4989 1.4991 1.5325 1.5326 2.9934 2.9940 3.4918 3.4929 3.8192 3.8201 3.8483 3.8488 4.8246 4.8247 5.1892 5.1893 5.7498 5.7499 5.9633 5.9635 7.5191 7.5191 7.9200 7.9200 15.1466 15.1466 15.5019 15.5019 17.2365 17.2366 k = 0.5000 0.4896-0.0000 ( 1704 PWs) bands (ev): -4.8205 -4.8205 -4.7714 -4.7714 -0.0463 -0.0463 0.0274 0.0274 1.4987 1.4987 1.5307 1.5307 2.9958 2.9958 3.5005 3.5005 3.8110 3.8110 3.8456 3.8456 4.8208 4.8208 5.1848 5.1848 5.7498 5.7498 5.9625 5.9625 7.5186 7.5186 7.9206 7.9206 15.1431 15.1431 15.4996 15.4996 17.2341 17.2341 k = 0.5000 0.4896-0.0000 ( 1704 PWs) bands (ev): -4.8205 -4.8205 -4.7714 -4.7714 -0.0463 -0.0463 0.0274 0.0274 1.4987 1.4987 1.5307 1.5307 2.9958 2.9958 3.5005 3.5005 3.8110 3.8110 3.8456 3.8456 4.8208 4.8208 5.1848 5.1848 5.7498 5.7498 5.9625 5.9625 7.5186 7.5186 7.9206 7.9206 15.1431 15.1431 15.4996 15.4996 17.2341 17.2341 k = 0.4921 0.4896-0.0000 ( 1700 PWs) bands (ev): -4.8223 -4.8222 -4.7733 -4.7733 -0.1393 -0.1393 0.1218 0.1219 1.4999 1.5000 1.5323 1.5323 2.9900 2.9906 3.4862 3.4874 3.8123 3.8131 3.8595 3.8608 4.7983 4.7984 5.2115 5.2116 5.7412 5.7415 5.9713 5.9715 7.5120 7.5120 7.9290 7.9290 15.1449 15.1449 15.5031 15.5031 17.2363 17.2363 k = 0.4841 0.4896-0.0000 ( 1696 PWs) bands (ev): -4.8276 -4.8276 -4.7788 -4.7787 -0.2598 -0.2598 0.2467 0.2467 1.5035 1.5038 1.5371 1.5372 2.9738 2.9749 3.4506 3.4527 3.8162 3.8175 3.8970 3.8990 4.7455 4.7458 5.2775 5.2776 5.7187 5.7192 5.9945 5.9948 7.4935 7.4936 7.9526 7.9527 15.1504 15.1504 15.5135 15.5136 17.2427 17.2428 k = 0.4762 0.4896-0.0000 ( 1692 PWs) bands (ev): -4.8365 -4.8365 -4.7879 -4.7878 -0.3804 -0.3804 0.3745 0.3745 1.5093 1.5097 1.5448 1.5450 2.9485 2.9501 3.4036 3.4062 3.8199 3.8219 3.9482 3.9507 4.6837 4.6840 5.3629 5.3630 5.6880 5.6885 6.0269 6.0272 7.4663 7.4664 7.9887 7.9887 15.1595 15.1596 15.5310 15.5310 17.2534 17.2535 k = 0.4683 0.4896-0.0000 ( 1696 PWs) bands (ev): -4.8488 -4.8488 -4.8005 -4.8005 -0.4999 -0.4999 0.5041 0.5041 1.5168 1.5174 1.5550 1.5553 2.9160 2.9181 3.3523 3.3552 3.8198 3.8222 4.0061 4.0088 4.6251 4.6255 5.4571 5.4573 5.6527 5.6534 6.0645 6.0649 7.4335 7.4336 8.0343 8.0343 15.1723 15.1724 15.5553 15.5554 17.2683 17.2685 k = 0.4603 0.4896-0.0000 ( 1696 PWs) bands (ev): -4.8645 -4.8645 -4.8166 -4.8166 -0.6179 -0.6179 0.6351 0.6351 1.5254 1.5261 1.5671 1.5674 2.8787 2.8811 3.3010 3.3041 3.8117 3.8144 4.0668 4.0697 4.5771 4.5773 5.5555 5.5557 5.6150 5.6157 6.1057 6.1060 7.3974 7.3976 8.0874 8.0874 15.1888 15.1889 15.5864 15.5865 17.2873 17.2876 k = 0.4524 0.4896-0.0000 ( 1700 PWs) bands (ev): -4.8834 -4.8834 -4.8360 -4.8360 -0.7343 -0.7343 0.7672 0.7672 1.5342 1.5351 1.5801 1.5806 2.8385 2.8412 3.2524 3.2557 3.7920 3.7949 4.1281 4.1310 4.5439 4.5440 5.5760 5.5767 5.6553 5.6556 6.1494 6.1497 7.3598 7.3600 8.1468 8.1469 15.2089 15.2091 15.6241 15.6243 17.3104 17.3107 k = 0.4444 0.4896-0.0000 ( 1692 PWs) bands (ev): -4.9055 -4.9054 -4.8587 -4.8586 -0.8491 -0.8491 0.9004 0.9004 1.5423 1.5433 1.5931 1.5937 2.7975 2.8004 3.2088 3.2121 3.7592 3.7620 4.1885 4.1916 4.5273 4.5274 5.5362 5.5370 5.7548 5.7551 6.1953 6.1956 7.3219 7.3221 8.2119 8.2120 15.2328 15.2329 15.6684 15.6686 17.3376 17.3379 k = 0.4365 0.4896-0.0000 ( 1692 PWs) bands (ev): -4.9305 -4.9304 -4.8843 -4.8842 -0.9622 -0.9622 1.0344 1.0345 1.5485 1.5497 1.6048 1.6054 2.7574 2.7606 3.1718 3.1752 3.7141 3.7168 4.2472 4.2503 4.5261 4.5265 5.4961 5.4969 5.8526 5.8530 6.2433 6.2435 7.2848 7.2850 8.2824 8.2824 15.2603 15.2605 15.7191 15.7193 17.3685 17.3689 k = 0.4286 0.4896-0.0000 ( 1696 PWs) bands (ev): -4.9583 -4.9582 -4.9128 -4.9127 -1.0735 -1.0735 1.1693 1.1693 1.5516 1.5529 1.6136 1.6143 2.7199 2.7233 3.1431 3.1466 3.6598 3.6623 4.3032 4.3064 4.5376 4.5384 5.4559 5.4567 5.9473 5.9477 6.2934 6.2935 7.2495 7.2497 8.3581 8.3582 15.2914 15.2916 15.7759 15.7761 17.4032 17.4037 k = 0.4206 0.4896-0.0000 ( 1700 PWs) bands (ev): -4.9887 -4.9886 -4.9440 -4.9439 -1.1831 -1.1831 1.3046 1.3047 1.5505 1.5519 1.6180 1.6188 2.6860 2.6895 3.1243 3.1278 3.6003 3.6026 4.3561 4.3593 4.5585 4.5597 5.4159 5.4167 6.0375 6.0380 6.3454 6.3455 7.2174 7.2176 8.4391 8.4392 15.3263 15.3265 15.8387 15.8389 17.4415 17.4419 k = 0.4127 0.4896-0.0000 ( 1696 PWs) bands (ev): -5.0216 -5.0215 -4.9777 -4.9776 -1.2909 -1.2909 1.4400 1.4400 1.5444 1.5458 1.6165 1.6173 2.6563 2.6599 3.1165 3.1201 3.5397 3.5418 4.4055 4.4086 4.5858 4.5872 5.3765 5.3773 6.1214 6.1220 6.3997 6.3997 7.1899 7.1901 8.5256 8.5257 15.3647 15.3649 15.9073 15.9075 17.4831 17.4836 k = 0.4048 0.4896-0.0000 ( 1700 PWs) bands (ev): -5.0567 -5.0566 -5.0136 -5.0135 -1.3969 -1.3969 1.5278 1.5291 1.5798 1.5799 1.6079 1.6087 2.6305 2.6341 3.1207 3.1243 3.4818 3.4837 4.4508 4.4539 4.6169 4.6185 5.3378 5.3386 6.1969 6.1975 6.4561 6.4561 7.1691 7.1693 8.6175 8.6176 15.4067 15.4070 15.9813 15.9815 17.5280 17.5285 k = 0.3968 0.4896-0.0000 ( 1696 PWs) bands (ev): -5.0938 -5.0937 -5.0516 -5.0515 -1.5010 -1.5010 1.5097 1.5112 1.5915 1.5923 1.7143 1.7144 2.6071 2.6107 3.1375 3.1411 3.4308 3.4323 4.4918 4.4949 4.6500 4.6519 5.3001 5.3009 6.2616 6.2622 6.5146 6.5147 7.1572 7.1574 8.7149 8.7151 15.4523 15.4525 16.0606 16.0609 17.5759 17.5764 k = 0.3889 0.4896-0.0000 ( 1692 PWs) bands (ev): -5.1328 -5.1327 -5.0915 -5.0914 -1.6033 -1.6033 1.4833 1.4847 1.5670 1.5678 1.8502 1.8503 2.5837 2.5870 3.1670 3.1705 3.3905 3.3917 4.5283 4.5313 4.6839 4.6860 5.2638 5.2645 6.3128 6.3134 6.5754 6.5754 7.1569 7.1571 8.8180 8.8181 15.5014 15.5016 16.1450 16.1452 17.6266 17.6271 k = 0.3810 0.4896-0.0000 ( 1692 PWs) bands (ev): -5.1734 -5.1733 -5.1331 -5.1330 -1.7037 -1.7037 1.4500 1.4514 1.5348 1.5356 1.9858 1.9858 2.5568 2.5598 3.2088 3.2122 3.3647 3.3655 4.5600 4.5630 4.7175 4.7199 5.2292 5.2298 6.3484 6.3491 6.6382 6.6383 7.1702 7.1703 8.9266 8.9268 15.5537 15.5539 16.2341 16.2344 17.6799 17.6804 k = 0.3730 0.4896-0.0000 ( 1688 PWs) bands (ev): -5.2155 -5.2154 -5.1762 -5.1761 -1.8022 -1.8021 1.4106 1.4119 1.4958 1.4965 2.1206 2.1206 2.5234 2.5261 3.2624 3.2658 3.3563 3.3566 4.5870 4.5899 4.7503 4.7529 5.1967 5.1972 6.3676 6.3684 6.7030 6.7031 7.1978 7.1980 9.0408 9.0410 15.6094 15.6096 16.3277 16.3279 17.7356 17.7361 k = 0.3651 0.4896-0.0000 ( 1686 PWs) bands (ev): -5.2589 -5.2588 -5.2206 -5.2204 -1.8987 -1.8987 1.3658 1.3670 1.4509 1.4515 2.2542 2.2543 2.4817 2.4839 3.3270 3.3302 3.3662 3.3664 4.6091 4.6119 4.7819 4.7846 5.1668 5.1671 6.3714 6.3722 6.7697 6.7699 7.2390 7.2392 9.1605 9.1608 15.6682 15.6683 16.4254 16.4257 17.7934 17.7939 k = 0.3571 0.4896-0.0000 ( 1686 PWs) bands (ev): -5.3033 -5.3032 -5.2660 -5.2659 -1.9934 -1.9934 1.3164 1.3176 1.4011 1.4017 2.3861 2.3862 2.4312 2.4331 3.3938 3.3945 3.4016 3.4048 4.6265 4.6292 4.8119 4.8149 5.1398 5.1399 6.3619 6.3627 6.8381 6.8382 7.2916 7.2918 9.2856 9.2858 15.7300 15.7301 16.5271 16.5273 17.8531 17.8536 k = 0.3492 0.4896-0.0000 ( 1690 PWs) bands (ev): -5.3487 -5.3486 -5.3124 -5.3123 -2.0861 -2.0861 1.2632 1.2643 1.3475 1.3480 2.3731 2.3746 2.5160 2.5161 3.4374 3.4385 3.4852 3.4883 4.6395 4.6420 4.8403 4.8434 5.1162 5.1162 6.3419 6.3427 6.9080 6.9081 7.3528 7.3531 9.4159 9.4161 15.7945 15.7946 16.6324 16.6326 17.9147 17.9151 k = 0.3413 0.4896-0.0000 ( 1694 PWs) bands (ev): -5.3948 -5.3947 -5.3596 -5.3594 -2.1769 -2.1769 1.2070 1.2080 1.2910 1.2913 2.3089 2.3100 2.6431 2.6432 3.4946 3.4961 3.5770 3.5801 4.6484 4.6507 4.8670 4.8703 5.0962 5.0965 6.3139 6.3147 6.9790 6.9791 7.4203 7.4205 9.5512 9.5514 15.8617 15.8618 16.7409 16.7411 17.9778 17.9782 k = 0.3333 0.4896-0.0000 ( 1694 PWs) bands (ev): -5.4415 -5.4414 -5.4073 -5.4071 -2.2657 -2.2657 1.1484 1.1494 1.2323 1.2326 2.2402 2.2411 2.7668 2.7669 3.5628 3.5646 3.6760 3.6791 4.6539 4.6560 4.8922 4.8957 5.0804 5.0810 6.2802 6.2810 7.0511 7.0512 7.4919 7.4922 9.6912 9.6915 15.9313 15.9313 16.8525 16.8527 18.0425 18.0429 k = 0.3254 0.4896-0.0000 ( 1694 PWs) bands (ev): -5.4886 -5.4885 -5.4554 -5.4553 -2.3525 -2.3525 1.0882 1.0890 1.1721 1.1723 2.1684 2.1692 2.8862 2.8863 3.6397 3.6419 3.7811 3.7842 4.6569 4.6588 4.9160 4.9198 5.0693 5.0701 6.2424 6.2432 7.1238 7.1239 7.5661 7.5664 9.8359 9.8361 16.0030 16.0030 16.9667 16.9669 18.1087 18.1090 k = 0.3175 0.4896-0.0000 ( 1694 PWs) bands (ev): -5.5360 -5.5359 -5.5038 -5.5037 -2.4373 -2.4373 1.0267 1.0275 1.1109 1.1111 2.0948 2.0954 3.0005 3.0005 3.7233 3.7258 3.8913 3.8945 4.6585 4.6603 4.9387 4.9428 5.0631 5.0641 6.2017 6.2025 7.1970 7.1970 7.6418 7.6420 9.9848 9.9851 16.0765 16.0766 17.0833 17.0834 18.1763 18.1765 k = 0.3095 0.4896-0.0000 ( 1694 PWs) bands (ev): -5.5835 -5.5834 -5.5523 -5.5522 -2.5202 -2.5201 0.9645 0.9652 1.0491 1.0493 2.0201 2.0206 3.1084 3.1084 3.8118 3.8146 4.0053 4.0087 4.6603 4.6621 4.9609 4.9652 5.0623 5.0636 6.1591 6.1600 7.2703 7.2704 7.7180 7.7183 10.1378 10.1381 16.1515 16.1516 17.2019 17.2020 18.2220 18.2244 k = 0.3016 0.4896-0.0000 ( 1694 PWs) bands (ev): -5.6311 -5.6310 -5.6009 -5.6007 -2.6010 -2.6010 0.9018 0.9025 0.9872 0.9873 1.9450 1.9454 3.2089 3.2089 3.9036 3.9067 4.1212 4.1249 4.6641 4.6661 4.9830 4.9876 5.0679 5.0693 6.1155 6.1164 7.3435 7.3436 7.7942 7.7944 10.2947 10.2950 16.2277 16.2279 17.3222 17.3223 18.2546 18.2571 k = 0.2937 0.4896-0.0000 ( 1698 PWs) bands (ev): -5.6785 -5.6784 -5.6493 -5.6491 -2.6798 -2.6798 0.8391 0.8397 0.9253 0.9254 1.8701 1.8704 3.3004 3.3005 3.9971 4.0005 4.2362 4.2404 4.6727 4.6751 5.0058 5.0107 5.0809 5.0823 6.0713 6.0722 7.4164 7.4164 7.8698 7.8701 10.4550 10.4553 16.3046 16.3048 17.4438 17.4439 18.2868 18.2895 k = 0.2857 0.4896-0.0000 ( 1698 PWs) bands (ev): -5.7257 -5.7256 -5.6974 -5.6973 -2.7566 -2.7566 0.7765 0.7771 0.8639 0.8639 1.7958 1.7960 3.3819 3.3820 4.0904 4.0942 4.3449 4.3500 4.6910 4.6941 5.0302 5.0355 5.1027 5.1042 6.0273 6.0282 7.4887 7.4887 7.9446 7.9448 10.6187 10.6191 16.3818 16.3821 17.5664 17.5665 18.3190 18.3218 k = 0.2778 0.4896-0.0000 ( 1706 PWs) bands (ev): -5.7725 -5.7724 -5.7452 -5.7451 -2.8314 -2.8314 0.7144 0.7149 0.8029 0.8029 1.7222 1.7224 3.4520 3.4522 4.1818 4.1859 4.4377 4.4435 4.7280 4.7319 5.0574 5.0630 5.1351 5.1366 5.9839 5.9849 7.5601 7.5601 8.0181 8.0183 10.7855 10.7858 16.4588 16.4591 17.6897 17.6897 18.3517 18.3546 k = 0.2698 0.4896-0.0000 ( 1710 PWs) bands (ev): -5.8189 -5.8188 -5.7926 -5.7924 -2.9041 -2.9041 0.6529 0.6534 0.7427 0.7427 1.6498 1.6500 3.5101 3.5104 4.2692 4.2736 4.5029 4.5087 4.7946 4.7985 5.0887 5.0947 5.1802 5.1815 5.9418 5.9428 7.6305 7.6305 8.0902 8.0904 10.9551 10.9554 16.5350 16.5353 17.8133 17.8133 18.3853 18.3883 k = 0.2619 0.4896-0.0000 ( 1714 PWs) bands (ev): -5.8648 -5.8647 -5.8394 -5.8392 -2.9748 -2.9748 0.5922 0.5927 0.6835 0.6835 1.5787 1.5788 3.5560 3.5564 4.3504 4.3551 4.5399 4.5448 4.8898 4.8931 5.1255 5.1318 5.2396 5.2408 5.9018 5.9029 7.6996 7.6996 8.1606 8.1608 11.1273 11.1277 16.6099 16.6102 17.9368 17.9368 18.4205 18.4236 k = 0.2540 0.4896-0.0000 ( 1718 PWs) bands (ev): -5.9100 -5.9099 -5.8855 -5.8854 -3.0435 -3.0434 0.5325 0.5329 0.6252 0.6252 1.5090 1.5091 3.5902 3.5906 4.4232 4.4280 4.5584 4.5624 5.0013 5.0037 5.1686 5.1751 5.3146 5.3156 5.8650 5.8662 7.7673 7.7674 8.2292 8.2294 11.3019 11.3022 16.6827 16.6831 18.0600 18.0600 18.4577 18.4609 k = 0.2460 0.4896-0.0000 ( 1718 PWs) bands (ev): -5.9545 -5.9544 -5.9309 -5.9307 -3.1100 -3.1100 0.4739 0.4742 0.5681 0.5682 1.4408 1.4409 3.6135 3.6139 4.4860 4.4908 4.5667 4.5699 5.1193 5.1211 5.2181 5.2246 5.4052 5.4061 5.8334 5.8346 7.8334 7.8335 8.2958 8.2960 11.4786 11.4790 16.7528 16.7532 18.1827 18.1827 18.4978 18.5010 k = 0.2381 0.4896-0.0000 ( 1710 PWs) bands (ev): -5.9982 -5.9981 -5.9754 -5.9753 -3.1745 -3.1745 0.4164 0.4168 0.5123 0.5123 1.3743 1.3744 3.6272 3.6277 4.5378 4.5424 4.5688 4.5714 5.2393 5.2405 5.2715 5.2779 5.5106 5.5113 5.8098 5.8110 7.8979 7.8980 8.3603 8.3605 11.6573 11.6576 16.8196 16.8201 18.3047 18.3047 18.5411 18.5443 k = 0.2302 0.4896-0.0000 ( 1714 PWs) bands (ev): -6.0410 -6.0409 -6.0191 -6.0190 -3.2370 -3.2370 0.3603 0.3606 0.4577 0.4578 1.3096 1.3097 3.6330 3.6334 4.5665 4.5686 4.5788 4.5832 5.3236 5.3295 5.3596 5.3605 5.6283 5.6290 5.7995 5.8005 7.9604 7.9606 8.4226 8.4228 11.8376 11.8380 16.8824 16.8829 18.4257 18.4258 18.5885 18.5917 k = 0.2222 0.4896-0.0000 ( 1710 PWs) bands (ev): -6.0829 -6.0828 -6.0618 -6.0617 -3.2974 -3.2973 0.3055 0.3058 0.4046 0.4047 1.2467 1.2467 3.6322 3.6326 4.5612 4.5628 4.6102 4.6142 5.3662 5.3713 5.4805 5.4810 5.7557 5.7562 5.8095 5.8102 8.0210 8.0212 8.4826 8.4828 12.0194 12.0198 16.9407 16.9411 18.5459 18.5460 18.6404 18.6435 k = 0.2143 0.4896-0.0000 ( 1704 PWs) bands (ev): -6.1238 -6.1237 -6.1035 -6.1034 -3.3556 -3.3556 0.2522 0.2525 0.3529 0.3530 1.1857 1.1857 3.6262 3.6265 4.5534 4.5548 4.6333 4.6370 5.3911 5.3952 5.6021 5.6024 5.8464 5.8464 5.8898 5.8904 8.0795 8.0797 8.5402 8.5404 12.2025 12.2028 16.9938 16.9942 18.6652 18.6654 18.6974 18.7004 k = 0.2063 0.4896-0.0000 ( 1704 PWs) bands (ev): -6.1636 -6.1635 -6.1441 -6.1440 -3.4118 -3.4118 0.2004 0.2007 0.3028 0.3029 1.1266 1.1266 3.6160 3.6164 4.5438 4.5449 4.6498 4.6530 5.3963 5.3994 5.7248 5.7249 5.9094 5.9100 6.0285 6.0290 8.1359 8.1361 8.5954 8.5956 12.3865 12.3868 17.0415 17.0419 18.7598 18.7627 18.7838 18.7840 k = 0.1984 0.4896-0.0000 ( 1700 PWs) bands (ev): -6.2023 -6.2022 -6.1836 -6.1834 -3.4659 -3.4659 0.1502 0.1505 0.2542 0.2543 1.0695 1.0695 3.6028 3.6031 4.5328 4.5337 4.6610 4.6639 5.3864 5.3886 5.8485 5.8486 5.9932 5.9943 6.1699 6.1704 8.1901 8.1903 8.6482 8.6483 12.5713 12.5716 17.0836 17.0839 18.8279 18.8307 18.9018 18.9021 k = 0.1905 0.4896-0.0000 ( 1700 PWs) bands (ev): -6.2398 -6.2398 -6.2218 -6.2217 -3.5180 -3.5180 0.1017 0.1019 0.2073 0.2074 1.0145 1.0145 3.5872 3.5875 4.5207 4.5215 4.6681 4.6706 5.3670 5.3687 5.9730 5.9732 6.0909 6.0921 6.3128 6.3133 8.2420 8.2421 8.6984 8.6985 12.7565 12.7569 17.1200 17.1203 18.9016 18.9043 19.0193 19.0196 k = 0.1825 0.4896-0.0000 ( 1696 PWs) bands (ev): -6.2762 -6.2761 -6.2588 -6.2587 -3.5679 -3.5679 0.0548 0.0551 0.1621 0.1622 0.9615 0.9615 3.5699 3.5702 4.5079 4.5085 4.6719 4.6742 5.3422 5.3435 6.0980 6.0984 6.1971 6.1984 6.4562 6.4567 8.2915 8.2917 8.7462 8.7462 12.9419 12.9423 17.1509 17.1511 18.9810 18.9834 19.1364 19.1368 k = 0.1746 0.4896-0.0000 ( 1692 PWs) bands (ev): -6.3112 -6.3111 -6.2946 -6.2945 -3.6157 -3.6157 0.0098 0.0100 0.1185 0.1186 0.9106 0.9106 3.5515 3.5517 4.4945 4.4950 4.6733 4.6753 5.3147 5.3158 6.2230 6.2234 6.3084 6.3097 6.5993 6.5998 8.3388 8.3389 8.7914 8.7914 13.1273 13.1276 17.1765 17.1766 19.0656 19.0679 19.2530 19.2535 k = 0.1667 0.4896-0.0000 ( 1696 PWs) bands (ev): -6.3450 -6.3449 -6.3289 -6.3289 -3.6614 -3.6614 -0.0336 -0.0334 0.0767 0.0768 0.8618 0.8618 3.5323 3.5325 4.4807 4.4811 4.6727 4.6745 5.2860 5.2868 6.3475 6.3480 6.4224 6.4237 6.7414 6.7419 8.3836 8.3838 8.8341 8.8342 13.3122 13.3126 17.1972 17.1972 19.1551 19.1572 19.3687 19.3693 k = 0.1587 0.4896-0.0000 ( 1692 PWs) bands (ev): -6.3774 -6.3773 -6.3620 -6.3619 -3.7051 -3.7050 -0.0751 -0.0749 0.0367 0.0368 0.8152 0.8152 3.5127 3.5129 4.4669 4.4672 4.6706 4.6722 5.2569 5.2576 6.4711 6.4716 6.5377 6.5389 6.8820 6.8824 8.4261 8.4263 8.8744 8.8744 13.4963 13.4967 17.2134 17.2134 19.2489 19.2508 19.4824 19.4831 k = 0.1508 0.4896-0.0000 ( 1692 PWs) bands (ev): -6.4084 -6.4083 -6.3936 -6.3935 -3.7466 -3.7466 -0.1147 -0.1145 -0.0015 -0.0014 0.7707 0.7707 3.4931 3.4933 4.4530 4.4532 4.6674 4.6688 5.2280 5.2286 6.5932 6.5937 6.6530 6.6542 7.0204 7.0209 8.4663 8.4664 8.9122 8.9122 13.6793 13.6797 17.2257 17.2257 19.3465 19.3481 19.5915 19.5923 k = 0.1429 0.4896-0.0000 ( 1692 PWs) bands (ev): -6.4380 -6.4379 -6.4238 -6.4237 -3.7860 -3.7860 -0.1525 -0.1523 -0.0379 -0.0378 0.7284 0.7285 3.4736 3.4737 4.4392 4.4394 4.6633 4.6646 5.1998 5.2003 6.7133 6.7139 6.7674 6.7685 7.1563 7.1567 8.5040 8.5042 8.9476 8.9476 13.8607 13.8611 17.2344 17.2345 19.4471 19.4485 19.6883 19.6891 k = 0.1349 0.4896-0.0000 ( 1692 PWs) bands (ev): -6.4662 -6.4661 -6.4525 -6.4524 -3.8233 -3.8232 -0.1883 -0.1882 -0.0725 -0.0724 0.6884 0.6884 3.4544 3.4545 4.4257 4.4258 4.6586 4.6598 5.1724 5.1728 6.8309 6.8315 6.8801 6.8811 7.2890 7.2894 8.5395 8.5397 8.9806 8.9807 14.0401 14.0405 17.2402 17.2403 19.5500 19.5512 19.7547 19.7552 k = 0.1270 0.4896-0.0000 ( 1696 PWs) bands (ev): -6.4929 -6.4928 -6.4797 -6.4796 -3.8584 -3.8584 -0.2223 -0.2221 -0.1051 -0.1051 0.6505 0.6505 3.4357 3.4358 4.4125 4.4126 4.6535 4.6545 5.1461 5.1465 6.9455 6.9461 6.9904 6.9913 7.4181 7.4185 8.5726 8.5727 9.0113 9.0114 14.2169 14.2173 17.2434 17.2436 19.6544 19.6553 19.7793 19.7795 k = 0.1190 0.4896-0.0000 ( 1696 PWs) bands (ev): -6.5181 -6.5180 -6.5053 -6.5053 -3.8915 -3.8915 -0.2542 -0.2541 -0.1359 -0.1358 0.6149 0.6149 3.4176 3.4177 4.3997 4.3998 4.6481 4.6490 5.1210 5.1213 7.0566 7.0572 7.0976 7.0984 7.5430 7.5435 8.6034 8.6036 9.0397 9.0398 14.3907 14.3910 17.2446 17.2448 19.7593 19.7600 19.7775 19.7775 k = 0.1111 0.4896-0.0000 ( 1688 PWs) bands (ev): -6.5417 -6.5417 -6.5295 -6.5294 -3.9224 -3.9224 -0.2842 -0.2841 -0.1648 -0.1647 0.5815 0.5816 3.4003 3.4004 4.3875 4.3875 4.6426 4.6434 5.0973 5.0975 7.1638 7.1645 7.2013 7.2021 7.6633 7.6638 8.6320 8.6321 9.0660 9.0661 14.5606 14.5610 17.2441 17.2443 19.7633 19.7634 19.8640 19.8643 k = 0.1032 0.4896-0.0000 ( 1692 PWs) bands (ev): -6.5639 -6.5638 -6.5520 -6.5520 -3.9512 -3.9512 -0.3122 -0.3121 -0.1918 -0.1917 0.5504 0.5505 3.3839 3.3840 4.3758 4.3758 4.6370 4.6378 5.0749 5.0751 7.2665 7.2671 7.3007 7.3014 7.7785 7.7790 8.6584 8.6585 9.0901 9.0902 14.7261 14.7265 17.2422 17.2425 19.7431 19.7432 19.9669 19.9669 k = 0.0952 0.4896-0.0000 ( 1688 PWs) bands (ev): -6.5845 -6.5844 -6.5730 -6.5729 -3.9779 -3.9779 -0.3382 -0.3381 -0.2168 -0.2167 0.5216 0.5216 3.3684 3.3685 4.3647 4.3648 4.6316 4.6323 5.0540 5.0542 7.3641 7.3648 7.3954 7.3960 7.8880 7.8885 8.6825 8.6826 9.1121 9.1122 14.8864 14.8867 17.2393 17.2396 19.7194 19.7195 20.0664 20.0667 k = 0.0873 0.4896-0.0000 ( 1688 PWs) bands (ev): -6.6034 -6.6034 -6.5923 -6.5923 -4.0024 -4.0024 -0.3622 -0.3621 -0.2398 -0.2397 0.4950 0.4951 3.3539 3.3540 4.3544 4.3544 4.6263 4.6269 5.0346 5.0348 7.4563 7.4569 7.4849 7.4854 7.9913 7.9918 8.7046 8.7046 9.1320 9.1322 15.0406 15.0409 17.2357 17.2359 19.6937 19.6937 20.1607 20.1614 k = 0.0794 0.4896-0.0000 ( 1688 PWs) bands (ev): -6.6208 -6.6208 -6.6100 -6.6100 -4.0248 -4.0248 -0.3841 -0.3840 -0.2609 -0.2608 0.4708 0.4708 3.3405 3.3406 4.3448 4.3448 4.6213 4.6218 5.0168 5.0170 7.5425 7.5431 7.5685 7.5690 8.0878 8.0883 8.7244 8.7245 9.1500 9.1502 15.1876 15.1879 17.2315 17.2318 19.6668 19.6669 20.2474 20.2485 k = 0.0714 0.4896-0.0000 ( 1688 PWs) bands (ev): -6.6366 -6.6366 -6.6261 -6.6261 -4.0451 -4.0451 -0.4040 -0.4039 -0.2800 -0.2799 0.4488 0.4488 3.3283 3.3283 4.3360 4.3360 4.6166 4.6170 5.0006 5.0007 7.6223 7.6229 7.6460 7.6464 8.1772 8.1777 8.7422 8.7423 9.1661 9.1662 15.3265 15.3268 17.2271 17.2274 19.6395 19.6395 20.3229 20.3245 k = 0.0635 0.4896-0.0000 ( 1688 PWs) bands (ev): -6.6508 -6.6507 -6.6405 -6.6405 -4.0633 -4.0633 -0.4218 -0.4217 -0.2971 -0.2970 0.4291 0.4291 3.3172 3.3173 4.3280 4.3280 4.6122 4.6126 4.9861 4.9862 7.6951 7.6957 7.7167 7.7170 8.2587 8.2593 8.7580 8.7580 9.1803 9.1804 15.4561 15.4563 17.2226 17.2229 19.6122 19.6123 20.3828 20.3850 k = 0.0556 0.4896-0.0000 ( 1688 PWs) bands (ev): -6.6633 -6.6633 -6.6533 -6.6532 -4.0793 -4.0793 -0.4375 -0.4374 -0.3122 -0.3122 0.4117 0.4117 3.3074 3.3074 4.3209 4.3209 4.6083 4.6086 4.9732 4.9732 7.7606 7.7611 7.7802 7.7805 8.3321 8.3326 8.7717 8.7718 9.1927 9.1928 15.5750 15.5753 17.2182 17.2185 19.5857 19.5858 20.4229 20.4254 k = 0.0476 0.4896-0.0000 ( 1696 PWs) bands (ev): -6.6742 -6.6741 -6.6644 -6.6643 -4.0932 -4.0932 -0.4511 -0.4511 -0.3253 -0.3253 0.3966 0.3966 3.2987 3.2988 4.3146 4.3146 4.6048 4.6050 4.9619 4.9620 7.8183 7.8187 7.8361 7.8364 8.3967 8.3973 8.7835 8.7836 9.2033 9.2034 15.6821 15.6823 17.2141 17.2143 19.5606 19.5607 20.4410 20.4436 k = 0.0397 0.4896-0.0000 ( 1696 PWs) bands (ev): -6.6834 -6.6833 -6.6737 -6.6737 -4.1050 -4.1050 -0.4627 -0.4627 -0.3365 -0.3364 0.3839 0.3839 3.2914 3.2914 4.3093 4.3093 4.6017 4.6020 4.9524 4.9525 7.8678 7.8682 7.8842 7.8844 8.4523 8.4528 8.7933 8.7935 9.2122 9.2124 15.7758 15.7759 17.2104 17.2106 19.5375 19.5376 20.4408 20.4432 k = 0.0317 0.4896-0.0000 ( 1692 PWs) bands (ev): -6.6909 -6.6909 -6.6814 -6.6814 -4.1146 -4.1146 -0.4722 -0.4721 -0.3455 -0.3455 0.3734 0.3734 3.2854 3.2854 4.3050 4.3050 4.5992 4.5994 4.9446 4.9447 7.9089 7.9092 7.9241 7.9242 8.4984 8.4988 8.8013 8.8014 9.2195 9.2196 15.8548 15.8549 17.2072 17.2074 19.5173 19.5173 20.4294 20.4313 k = 0.0238 0.4896-0.0000 ( 1692 PWs) bands (ev): -6.6968 -6.6968 -6.6874 -6.6874 -4.1221 -4.1221 -0.4795 -0.4795 -0.3526 -0.3526 0.3653 0.3653 3.2807 3.2807 4.3015 4.3015 4.5973 4.5974 4.9385 4.9386 7.9411 7.9414 7.9553 7.9554 8.5346 8.5350 8.8074 8.8076 9.2251 9.2252 15.9179 15.9180 17.2046 17.2048 19.5005 19.5006 20.4140 20.4155 k = 0.0159 0.4896-0.0000 ( 1690 PWs) bands (ev): -6.7010 -6.7010 -6.6917 -6.6917 -4.1274 -4.1274 -0.4848 -0.4848 -0.3577 -0.3577 0.3595 0.3595 3.2773 3.2773 4.2991 4.2991 4.5959 4.5960 4.9342 4.9342 7.9644 7.9646 7.9778 7.9779 8.5608 8.5610 8.8118 8.8119 9.2291 9.2291 15.9638 15.9639 17.2027 17.2028 19.4880 19.4881 20.4000 20.4010 k = 0.0079 0.4896-0.0000 ( 1690 PWs) bands (ev): -6.7035 -6.7035 -6.6942 -6.6942 -4.1306 -4.1306 -0.4879 -0.4879 -0.3607 -0.3607 0.3560 0.3560 3.2753 3.2753 4.2976 4.2976 4.5950 4.5951 4.9316 4.9316 7.9784 7.9785 7.9914 7.9914 8.5766 8.5767 8.8144 8.8144 9.2315 9.2315 15.9918 15.9918 17.2016 17.2016 19.4803 19.4803 20.3906 20.3911 k = 0.0000 0.4896-0.0000 ( 1682 PWs) bands (ev): -6.7043 -6.7043 -6.6951 -6.6951 -4.1317 -4.1317 -0.4890 -0.4890 -0.3617 -0.3617 0.3549 0.3549 3.2746 3.2746 4.2971 4.2971 4.5948 4.5948 4.9307 4.9307 7.9832 7.9832 7.9960 7.9960 8.5819 8.5819 8.8153 8.8153 9.2323 9.2323 16.0012 16.0012 17.2012 17.2012 19.4777 19.4777 20.3875 20.3875 k = 0.0000 0.4896-0.0000 ( 1682 PWs) bands (ev): -6.7043 -6.7043 -6.6951 -6.6951 -4.1317 -4.1317 -0.4890 -0.4890 -0.3617 -0.3617 0.3549 0.3549 3.2746 3.2746 4.2971 4.2971 4.5948 4.5948 4.9307 4.9307 7.9832 7.9832 7.9960 7.9960 8.5819 8.5819 8.8153 8.8153 9.2323 9.2323 16.0012 16.0012 17.2012 17.2012 19.4777 19.4777 20.3875 20.3875 k = 0.0000 0.4818-0.0000 ( 1690 PWs) bands (ev): -6.7601 -6.7600 -6.6426 -6.6425 -4.1345 -4.1345 -0.5041 -0.5040 -0.3435 -0.3435 0.3626 0.3627 3.2659 3.2662 4.2795 4.2799 4.6052 4.6057 4.9486 4.9492 7.9530 7.9530 8.0242 8.0242 8.5818 8.5818 8.8147 8.8147 9.2325 9.2325 16.0008 16.0008 17.2031 17.2031 19.4784 19.4784 20.3745 20.3751 k = 0.0000 0.4739-0.0000 ( 1690 PWs) bands (ev): -6.8229 -6.8228 -6.5892 -6.5891 -4.1431 -4.1430 -0.5357 -0.5355 -0.3023 -0.3023 0.3856 0.3857 3.2408 3.2414 4.2326 4.2335 4.6352 4.6361 4.9983 4.9995 7.9157 7.9157 8.0561 8.0561 8.5814 8.5814 8.8131 8.8132 9.2330 9.2331 15.9998 15.9998 17.2089 17.2089 19.4807 19.4807 20.3401 20.3412 k = 0.0000 0.4660-0.0000 ( 1686 PWs) bands (ev): -6.8884 -6.8883 -6.5395 -6.5393 -4.1571 -4.1571 -0.5704 -0.5701 -0.2510 -0.2510 0.4232 0.4233 3.2014 3.2022 4.1673 4.1684 4.6814 4.6826 5.0706 5.0721 7.8767 7.8767 8.0860 8.0860 8.5808 8.5809 8.8106 8.8107 9.2341 9.2342 15.9980 15.9980 17.2185 17.2185 19.4844 19.4844 20.2919 20.2933 k = 0.0000 0.4581-0.0000 ( 1686 PWs) bands (ev): -6.9561 -6.9560 -6.4938 -6.4936 -4.1765 -4.1764 -0.6033 -0.6030 -0.1936 -0.1935 0.4741 0.4743 3.1503 3.1512 4.0916 4.0929 4.7409 4.7423 5.1576 5.1594 7.8363 7.8363 8.1136 8.1136 8.5802 8.5802 8.8070 8.8071 9.2356 9.2357 15.9956 15.9956 17.2318 17.2318 19.4892 19.4892 20.2356 20.2372 k = 0.0000 0.4502-0.0000 ( 1690 PWs) bands (ev): -7.0257 -7.0256 -6.4524 -6.4522 -4.2009 -4.2008 -0.6326 -0.6323 -0.1309 -0.1309 0.5371 0.5374 3.0901 3.0913 4.0107 4.0120 4.8109 4.8125 5.2542 5.2561 7.7946 7.7946 8.1386 8.1386 8.5796 8.5796 8.8025 8.8026 9.2376 9.2378 15.9925 15.9925 17.2488 17.2488 19.4948 19.4948 20.1749 20.1766 k = 0.0000 0.4423-0.0000 ( 1690 PWs) bands (ev): -7.0970 -7.0970 -6.4155 -6.4154 -4.2299 -4.2299 -0.6573 -0.6570 -0.0633 -0.0632 0.6108 0.6111 3.0234 3.0247 3.9273 3.9286 4.8893 4.8911 5.3572 5.3592 7.7517 7.7517 8.1609 8.1609 8.5793 8.5793 8.7971 8.7972 9.2403 9.2405 15.9888 15.9888 17.2694 17.2694 19.5008 19.5008 20.1122 20.1139 k = 0.0000 0.4344-0.0000 ( 1690 PWs) bands (ev): -7.1697 -7.1697 -6.3835 -6.3833 -4.2633 -4.2633 -0.6767 -0.6764 0.0094 0.0095 0.6938 0.6941 2.9522 2.9535 3.8432 3.8446 4.9740 4.9759 5.4649 5.4670 7.7079 7.7079 8.1802 8.1802 8.5793 8.5793 8.7909 8.7911 9.2437 9.2440 15.9844 15.9844 17.2934 17.2934 19.5061 19.5062 20.0493 20.0510 k = 0.0000 0.4265-0.0000 ( 1690 PWs) bands (ev): -7.2436 -7.2435 -6.3563 -6.3562 -4.3006 -4.3006 -0.6903 -0.6900 0.0872 0.0872 0.7849 0.7852 2.8780 2.8794 3.7597 3.7611 5.0635 5.0655 5.5761 5.5783 7.6631 7.6631 8.1962 8.1963 8.5798 8.5798 8.7840 8.7842 9.2481 9.2484 15.9796 15.9796 17.3208 17.3208 19.5096 19.5097 19.9882 19.9899 k = 0.0000 0.4186-0.0000 ( 1690 PWs) bands (ev): -7.3184 -7.3183 -6.3342 -6.3341 -4.3415 -4.3414 -0.6978 -0.6975 0.1698 0.1699 0.8830 0.8833 2.8023 2.8037 3.6774 3.6788 5.1565 5.1586 5.6900 5.6923 7.6174 7.6175 8.2089 8.2089 8.5810 8.5811 8.7765 8.7768 9.2534 9.2537 15.9742 15.9742 17.3513 17.3514 19.5092 19.5093 19.9313 19.9330 k = 0.0000 0.4107-0.0000 ( 1684 PWs) bands (ev): -7.3938 -7.3938 -6.3172 -6.3171 -4.3854 -4.3853 -0.6990 -0.6987 0.2572 0.2573 0.9872 0.9875 2.7260 2.7275 3.5970 3.5984 5.2520 5.2541 5.8061 5.8084 7.5711 7.5711 8.2181 8.2182 8.5831 8.5831 8.7687 8.7690 9.2600 9.2604 15.9683 15.9683 17.3849 17.3849 19.5020 19.5021 19.8817 19.8834 k = 0.0000 0.4028-0.0000 ( 1682 PWs) bands (ev): -7.4698 -7.4698 -6.3053 -6.3052 -4.4320 -4.4320 -0.6939 -0.6936 0.3491 0.3491 1.0965 1.0968 2.6502 2.6517 3.5191 3.5205 5.3490 5.3512 5.9237 5.9261 7.5242 7.5242 8.2238 8.2238 8.5860 8.5861 8.7606 8.7609 9.2679 9.2683 15.9620 15.9620 17.4212 17.4212 19.4842 19.4845 19.8431 19.8447 k = 0.0000 0.3949-0.0000 ( 1678 PWs) bands (ev): -7.5461 -7.5460 -6.2985 -6.2984 -4.4811 -4.4810 -0.6825 -0.6821 0.4450 0.4450 1.2102 1.2105 2.5756 2.5771 3.4441 3.4455 5.4470 5.4492 6.0427 6.0451 7.4767 7.4767 8.2260 8.2261 8.5898 8.5898 8.7524 8.7527 9.2774 9.2779 15.9553 15.9553 17.4601 17.4601 19.4534 19.4538 19.8181 19.8194 k = 0.0000 0.3870-0.0000 ( 1680 PWs) bands (ev): -7.6224 -7.6224 -6.2967 -6.2965 -4.5321 -4.5321 -0.6649 -0.6646 0.5444 0.5444 1.3274 1.3276 2.5031 2.5046 3.3727 3.3741 5.5451 5.5474 6.1625 6.1649 7.4289 7.4289 8.2249 8.2250 8.5943 8.5943 8.7444 8.7447 9.2887 9.2892 15.9482 15.9482 17.5012 17.5012 19.4094 19.4100 19.8064 19.8075 k = 0.0000 0.3791-0.0000 ( 1680 PWs) bands (ev): -7.6988 -7.6988 -6.2997 -6.2995 -4.5849 -4.5848 -0.6415 -0.6412 0.6468 0.6468 1.4470 1.4472 2.4337 2.4352 3.3055 3.3069 5.6430 5.6453 6.2826 6.2851 7.3806 7.3806 8.2207 8.2207 8.5992 8.5993 8.7369 8.7373 9.3021 9.3027 15.9408 15.9408 17.5444 17.5444 19.3549 19.3556 19.8054 19.8063 k = 0.0000 0.3712-0.0000 ( 1680 PWs) bands (ev): -7.7749 -7.7749 -6.3072 -6.3071 -4.6391 -4.6390 -0.6127 -0.6124 0.7514 0.7514 1.5677 1.5678 2.3686 2.3701 3.2433 3.2447 5.7402 5.7425 6.4028 6.4053 7.3322 7.3322 8.2137 8.2137 8.6045 8.6046 8.7303 8.7307 9.3179 9.3185 15.9332 15.9332 17.5893 17.5893 19.2929 19.2938 19.8115 19.8123 k = 0.0000 0.3633-0.0000 ( 1684 PWs) bands (ev): -7.8508 -7.8507 -6.3192 -6.3190 -4.6945 -4.6944 -0.5789 -0.5786 0.8572 0.8573 1.6873 1.6873 2.3101 2.3114 3.1872 3.1885 5.8362 5.8385 6.5224 6.5250 7.2834 7.2834 8.2041 8.2041 8.6099 8.6100 8.7249 8.7253 9.3362 9.3368 15.9253 15.9253 17.6355 17.6355 19.2259 19.2269 19.8218 19.8225 k = 0.0000 0.3554-0.0000 ( 1680 PWs) bands (ev): -7.9261 -7.9261 -6.3352 -6.3351 -4.7507 -4.7507 -0.5408 -0.5405 0.9633 0.9634 1.8013 1.8015 2.2624 2.2635 3.1384 3.1396 5.9305 5.9329 6.6410 6.6436 7.2347 7.2347 8.1922 8.1923 8.6153 8.6153 8.7211 8.7216 9.3575 9.3582 15.9173 15.9173 17.6826 17.6827 19.1558 19.1568 19.8339 19.8345 k = 0.0000 0.3475-0.0000 ( 1678 PWs) bands (ev): -8.0008 -8.0008 -6.3551 -6.3549 -4.8077 -4.8077 -0.4991 -0.4988 1.0681 1.0682 1.8993 1.9001 2.2356 2.2362 3.0987 3.0999 6.0229 6.0253 6.7577 6.7603 7.1860 7.1860 8.1785 8.1785 8.6203 8.6204 8.7197 8.7201 9.3821 9.3828 15.9091 15.9091 17.7304 17.7305 19.0837 19.0847 19.8459 19.8466 k = 0.0000 0.3396-0.0000 ( 1678 PWs) bands (ev): -8.0749 -8.0749 -6.3784 -6.3782 -4.8652 -4.8652 -0.4546 -0.4543 1.1696 1.1697 1.9608 1.9624 2.2500 2.2503 3.0706 3.0717 6.1129 6.1153 6.8719 6.8745 7.1373 7.1373 8.1629 8.1630 8.6248 8.6249 8.7211 8.7216 9.4103 9.4111 15.9007 15.9007 17.7783 17.7783 19.0103 19.0113 19.8563 19.8569 k = 0.0000 0.3317-0.0000 ( 1678 PWs) bands (ev): -8.1482 -8.1482 -6.4048 -6.4046 -4.9231 -4.9230 -0.4081 -0.4080 1.2651 1.2651 1.9763 1.9782 2.3149 2.3156 3.0572 3.0583 6.2002 6.2026 6.9826 6.9853 7.0888 7.0889 8.1459 8.1459 8.6288 8.6288 8.7261 8.7266 9.4425 9.4433 15.8922 15.8922 17.8257 17.8258 18.9361 18.9372 19.8633 19.8639 k = 0.0000 0.3238-0.0000 ( 1672 PWs) bands (ev): -8.2205 -8.2205 -6.4340 -6.4339 -4.9810 -4.9809 -0.3608 -0.3607 1.3508 1.3508 1.9694 1.9713 2.4071 2.4079 3.0629 3.0638 6.2844 6.2869 7.0405 7.0405 7.0890 7.0917 8.1276 8.1277 8.6320 8.6321 8.7355 8.7361 9.4792 9.4801 15.8836 15.8836 17.8722 17.8723 18.8617 18.8627 19.8653 19.8659 k = 0.0000 0.3159-0.0000 ( 1668 PWs) bands (ev): -8.2919 -8.2919 -6.4657 -6.4656 -5.0390 -5.0389 -0.3137 -0.3136 1.4216 1.4218 1.9627 1.9643 2.5046 2.5053 3.0920 3.0929 6.3653 6.3677 6.9926 6.9926 7.1898 7.1925 8.1083 8.1083 8.6346 8.6346 8.7503 8.7509 9.5207 9.5217 15.8750 15.8750 17.9170 17.9171 18.7873 18.7882 19.8601 19.8608 k = 0.0000 0.3080-0.0000 ( 1668 PWs) bands (ev): -8.3622 -8.3622 -6.4996 -6.4995 -5.0968 -5.0967 -0.2679 -0.2678 1.4725 1.4731 1.9675 1.9685 2.5982 2.5987 3.1481 3.1488 6.4426 6.4450 6.9450 6.9450 7.2839 7.2866 8.0879 8.0879 8.6362 8.6363 8.7714 8.7720 9.5675 9.5685 15.8663 15.8663 17.9593 17.9594 18.7134 18.7143 19.8455 19.8462 k = 0.0000 0.3001-0.0000 ( 1668 PWs) bands (ev): -8.4314 -8.4313 -6.5353 -6.5352 -5.1544 -5.1543 -0.2245 -0.2245 1.5010 1.5020 1.9876 1.9881 2.6870 2.6873 3.2308 3.2315 6.5159 6.5183 6.8978 6.8978 7.3702 7.3729 8.0668 8.0668 8.6371 8.6371 8.7995 8.8002 9.6200 9.6210 15.8576 15.8576 17.9981 17.9982 18.6407 18.6415 19.8193 19.8201 k = 0.0000 0.2922-0.0000 ( 1668 PWs) bands (ev): -8.4993 -8.4993 -6.5726 -6.5724 -5.2115 -5.2114 -0.1847 -0.1846 1.5092 1.5106 2.0215 2.0217 2.7749 2.7749 3.3362 3.3369 6.5852 6.5875 6.8511 6.8511 7.4479 7.4505 8.0450 8.0450 8.6371 8.6371 8.8354 8.8362 9.6786 9.6797 15.8489 15.8489 18.0319 18.0319 18.5703 18.5710 19.7813 19.7821 k = 0.0000 0.2843-0.0000 ( 1664 PWs) bands (ev): -8.5660 -8.5660 -6.6111 -6.6110 -5.2681 -5.2681 -0.1494 -0.1492 1.5024 1.5041 2.0646 2.0653 2.8667 2.8669 3.4584 3.4592 6.6502 6.6525 6.8050 6.8050 7.5162 7.5187 8.0227 8.0227 8.6363 8.6363 8.8795 8.8804 9.7436 9.7447 15.8401 15.8401 18.0583 18.0584 18.5039 18.5044 19.7339 19.7347 k = 0.0000 0.2764-0.0000 ( 1664 PWs) bands (ev): -8.6313 -8.6313 -6.6506 -6.6505 -5.3241 -5.3241 -0.1194 -0.1192 1.4857 1.4876 2.1140 2.1149 2.9661 2.9665 3.5925 3.5933 6.7108 6.7130 6.7594 6.7596 7.5748 7.5773 7.9999 8.0000 8.6347 8.6347 8.9318 8.9327 9.8154 9.8166 15.8314 15.8314 18.0738 18.0740 18.4448 18.4451 19.6804 19.6811 k = 0.0000 0.2685-0.0000 ( 1666 PWs) bands (ev): -8.6953 -8.6953 -6.6909 -6.6908 -5.3794 -5.3793 -0.0953 -0.0951 1.4628 1.4647 2.1682 2.1693 3.0743 3.0749 3.7346 3.7354 6.7145 6.7146 6.7669 6.7694 7.6241 7.6265 7.9769 7.9769 8.6322 8.6323 8.9918 8.9928 9.8942 9.8954 15.8226 15.8226 18.0728 18.0734 18.3979 18.3980 19.6233 19.6240 k = 0.0000 0.2606-0.0000 ( 1670 PWs) bands (ev): -8.7578 -8.7578 -6.7317 -6.7315 -5.4338 -5.4338 -0.0775 -0.0772 1.4359 1.4378 2.2276 2.2288 3.1910 3.1918 3.8822 3.8830 6.6704 6.6705 6.8185 6.8209 7.6645 7.6668 7.9536 7.9536 8.6290 8.6290 9.0587 9.0597 9.9801 9.9813 15.8139 15.8139 18.0504 18.0513 18.3676 18.3681 19.5643 19.5650 k = 0.0000 0.2527-0.0000 ( 1670 PWs) bands (ev): -8.8188 -8.8188 -6.7727 -6.7726 -5.4874 -5.4873 -0.0659 -0.0656 1.4062 1.4081 2.2932 2.2943 3.3151 3.3160 4.0336 4.0344 6.6271 6.6271 6.8658 6.8682 7.6971 7.6994 7.9302 7.9302 8.6251 8.6251 9.1314 9.1324 10.0733 10.0744 15.8052 15.8052 18.0066 18.0077 18.3541 18.3549 19.5042 19.5049 k = 0.0000 0.2448-0.0000 ( 1670 PWs) bands (ev): -8.8783 -8.8783 -6.8139 -6.8138 -5.5399 -5.5398 -0.0605 -0.0601 1.3745 1.3763 2.3656 2.3667 3.4452 3.4462 4.1874 4.1883 6.5846 6.5847 6.9087 6.9111 7.7229 7.7252 7.9067 7.9068 8.6206 8.6206 9.2086 9.2097 10.1734 10.1746 15.7965 15.7965 17.9464 17.9476 18.3519 18.3529 19.4436 19.4443 k = 0.0000 0.2369-0.0000 ( 1666 PWs) bands (ev): -8.9362 -8.9362 -6.8551 -6.8549 -5.5913 -5.5913 -0.0607 -0.0603 1.3414 1.3430 2.4454 2.4463 3.5801 3.5811 4.3428 4.3438 6.5431 6.5431 6.9475 6.9499 7.7433 7.7455 7.8833 7.8834 8.6154 8.6154 9.2893 9.2904 10.2804 10.2815 15.7879 15.7879 17.8758 17.8771 18.3551 18.3562 19.3826 19.3833 k = 0.0000 0.2290-0.0000 ( 1666 PWs) bands (ev): -8.9925 -8.9925 -6.8959 -6.8958 -5.6416 -5.6416 -0.0661 -0.0657 1.3071 1.3087 2.5324 2.5333 3.7185 3.7196 4.4990 4.5000 6.5024 6.5024 6.9824 6.9847 7.7592 7.7614 7.8600 7.8601 8.6097 8.6097 9.3723 9.3733 10.3938 10.3949 15.7793 15.7793 17.7984 17.7996 18.3597 18.3609 19.3216 19.3223 k = 0.0000 0.2211-0.0000 ( 1666 PWs) bands (ev): -9.0471 -9.0471 -6.9364 -6.9363 -5.6908 -5.6907 -0.0760 -0.0756 1.2722 1.2736 2.6266 2.6274 3.8596 3.8607 4.6553 4.6564 6.4627 6.4628 7.0136 7.0159 7.7719 7.7742 7.8369 7.8371 8.6035 8.6035 9.4567 9.4577 10.5132 10.5143 15.7708 15.7708 17.7162 17.7174 18.3636 18.3649 19.2606 19.2613 k = 0.0000 0.2132-0.0000 ( 1662 PWs) bands (ev): -9.1001 -9.1001 -6.9764 -6.9763 -5.7386 -5.7385 -0.0897 -0.0894 1.2368 1.2381 2.7274 2.7280 4.0024 4.0036 4.8111 4.8122 6.4242 6.4242 7.0414 7.0437 7.7821 7.7846 7.8140 7.8144 8.5968 8.5968 9.5418 9.5428 10.6381 10.6390 15.7624 15.7624 17.6304 17.6316 18.3657 18.3671 19.1996 19.2003 k = 0.0000 0.2053-0.0000 ( 1666 PWs) bands (ev): -9.1513 -9.1513 -7.0157 -7.0156 -5.7851 -5.7850 -0.1067 -0.1063 1.2011 1.2023 2.8341 2.8346 4.1462 4.1475 4.9658 4.9669 6.3866 6.3866 7.0661 7.0684 7.7876 7.7910 7.7940 7.7954 8.5898 8.5898 9.6270 9.6279 10.7677 10.7686 15.7541 15.7541 17.5415 17.5427 18.3654 18.3668 19.1385 19.1392 k = 0.0000 0.1974-0.0000 ( 1666 PWs) bands (ev): -9.2009 -9.2008 -7.0543 -7.0542 -5.8302 -5.8301 -0.1261 -0.1258 1.1656 1.1667 2.9460 2.9465 4.2904 4.2917 5.1187 5.1198 6.3501 6.3501 7.0882 7.0905 7.7687 7.7692 7.8005 7.8020 8.5825 8.5825 9.7117 9.7125 10.9016 10.9024 15.7458 15.7458 17.4499 17.4510 18.3625 18.3640 19.0772 19.0780 k = 0.0000 0.1895-0.0000 ( 1668 PWs) bands (ev): -9.2486 -9.2486 -7.0919 -7.0918 -5.8738 -5.8738 -0.1476 -0.1472 1.1305 1.1315 3.0624 3.0628 4.4342 4.4356 5.2690 5.2703 6.3147 6.3148 7.1079 7.1102 7.7472 7.7474 7.8088 7.8106 8.5749 8.5749 9.7956 9.7964 11.0390 11.0397 15.7377 15.7377 17.3558 17.3568 18.3566 18.3581 19.0157 19.0165 k = 0.0000 0.1816-0.0000 ( 1668 PWs) bands (ev): -9.2946 -9.2946 -7.1286 -7.1285 -5.9160 -5.9160 -0.1705 -0.1701 1.0959 1.0968 3.1825 3.1829 4.5772 4.5787 5.4161 5.4174 6.2806 6.2806 7.1256 7.1279 7.7260 7.7261 7.8181 7.8200 8.5671 8.5671 9.8784 9.8790 11.1792 11.1799 15.7297 15.7297 17.2594 17.2604 18.3476 18.3492 18.9536 18.9544 k = 0.0000 0.1737-0.0000 ( 1664 PWs) bands (ev): -9.3387 -9.3387 -7.1642 -7.1641 -5.9567 -5.9566 -0.1944 -0.1941 1.0620 1.0629 3.3057 3.3060 4.7188 4.7203 5.5591 5.5605 6.2476 6.2476 7.1419 7.1442 7.7053 7.7054 7.8290 7.8309 8.5591 8.5591 9.9596 9.9602 11.3218 11.3224 15.7219 15.7219 17.1608 17.1617 18.3352 18.3368 18.8907 18.8915 k = 0.0000 0.1658-0.0000 ( 1668 PWs) bands (ev): -9.3810 -9.3810 -7.1987 -7.1986 -5.9958 -5.9957 -0.2190 -0.2186 1.0290 1.0297 3.4311 3.4314 4.8583 4.8599 5.6970 5.6985 6.2159 6.2159 7.1570 7.1593 7.6852 7.6853 7.8421 7.8441 8.5511 8.5511 10.0390 10.0396 11.4659 11.4665 15.7142 15.7142 17.0603 17.0612 18.3187 18.3203 18.8270 18.8278 k = 0.0000 0.1580-0.0000 ( 1668 PWs) bands (ev): -9.4215 -9.4214 -7.2320 -7.2319 -6.0332 -6.0332 -0.2438 -0.2435 0.9969 0.9976 3.5582 3.5584 4.9952 4.9969 5.8289 5.8305 6.1855 6.1855 7.1715 7.1737 7.6657 7.6657 7.8583 7.8603 8.5430 8.5430 10.1165 10.1169 11.6111 11.6116 15.7067 15.7067 16.9581 16.9589 18.2972 18.2989 18.7629 18.7637 k = 0.0000 0.1501-0.0000 ( 1670 PWs) bands (ev): -9.4601 -9.4600 -7.2640 -7.2639 -6.0691 -6.0691 -0.2686 -0.2683 0.9659 0.9665 3.6862 3.6864 5.1289 5.1307 5.9536 5.9553 6.1564 6.1564 7.1857 7.1879 7.6468 7.6469 7.8783 7.8802 8.5350 8.5350 10.1915 10.1919 11.7566 11.7571 15.6994 15.6994 16.8545 16.8553 18.2694 18.2710 18.6997 18.7003 k = 0.0000 0.1422-0.0000 ( 1670 PWs) bands (ev): -9.4967 -9.4967 -7.2946 -7.2946 -6.1033 -6.1032 -0.2931 -0.2929 0.9361 0.9367 3.8146 3.8147 5.2588 5.2606 6.0699 6.0717 6.1286 6.1286 7.2001 7.2023 7.6287 7.6288 7.9027 7.9047 8.5270 8.5270 10.2641 10.2644 11.9020 11.9023 15.6924 15.6924 16.7500 16.7508 18.2335 18.2351 18.6394 18.6400 k = 0.0000 0.1343-0.0000 ( 1670 PWs) bands (ev): -9.5315 -9.5315 -7.3239 -7.3238 -6.1357 -6.1357 -0.3172 -0.3169 0.9076 0.9081 3.9426 3.9427 5.3842 5.3861 6.1022 6.1022 6.1768 6.1787 7.2151 7.2172 7.6114 7.6115 7.9324 7.9343 8.5192 8.5192 10.3338 10.3341 12.0465 12.0468 15.6855 15.6855 16.6450 16.6457 18.1879 18.1893 18.5849 18.5852 k = 0.0000 0.1264-0.0000 ( 1666 PWs) bands (ev): -9.5644 -9.5644 -7.3517 -7.3517 -6.1665 -6.1664 -0.3405 -0.3403 0.8804 0.8809 4.0697 4.0698 5.5044 5.5065 6.0771 6.0771 6.2732 6.2752 7.2311 7.2331 7.5949 7.5949 7.9679 7.9698 8.5117 8.5117 10.4006 10.4008 12.1895 12.1898 15.6789 15.6789 16.5400 16.5406 18.1316 18.1328 18.5380 18.5380 k = 0.0000 0.1185-0.0000 ( 1668 PWs) bands (ev): -9.5954 -9.5953 -7.3780 -7.3780 -6.1955 -6.1954 -0.3631 -0.3628 0.8546 0.8550 4.1953 4.1954 5.6188 5.6210 6.0534 6.0534 6.3583 6.3605 7.2482 7.2501 7.5792 7.5792 8.0095 8.0114 8.5043 8.5043 10.4640 10.4642 12.3305 12.3308 15.6726 15.6726 16.4356 16.4361 18.0655 18.0665 18.4987 18.4990 k = 0.0000 0.1106-0.0000 ( 1668 PWs) bands (ev): -9.6244 -9.6243 -7.4028 -7.4028 -6.2227 -6.2227 -0.3846 -0.3844 0.8303 0.8307 4.3187 4.3187 5.7267 5.7289 6.0312 6.0312 6.4317 6.4341 7.2666 7.2684 7.5643 7.5644 8.0574 8.0592 8.4971 8.4972 10.5240 10.5241 12.4687 12.4689 15.6666 15.6666 16.3325 16.3330 17.9916 17.9924 18.4662 18.4667 k = 0.0000 0.1027-0.0000 ( 1669 PWs) bands (ev): -9.6514 -9.6514 -7.4261 -7.4260 -6.2481 -6.2481 -0.4051 -0.4049 0.8075 0.8078 4.4391 4.4391 5.8273 5.8297 6.0105 6.0105 6.4936 6.4961 7.2865 7.2881 7.5504 7.5504 8.1111 8.1128 8.4903 8.4903 10.5804 10.5804 12.6034 12.6036 15.6610 15.6610 16.2313 16.2318 17.9126 17.9132 18.4382 18.4389 k = 0.0000 0.0948-0.0000 ( 1665 PWs) bands (ev): -9.6765 -9.6765 -7.4477 -7.4477 -6.2717 -6.2717 -0.4244 -0.4242 0.7862 0.7866 4.5561 4.5561 5.9201 5.9226 5.9912 5.9913 6.5444 6.5470 7.3076 7.3091 7.5374 7.5374 8.1698 8.1714 8.4839 8.4839 10.6330 10.6330 12.7338 12.7340 15.6556 15.6556 16.1329 16.1333 17.8311 17.8316 18.4122 18.4130 k = 0.0000 0.0869-0.0000 ( 1661 PWs) bands (ev): -9.6996 -9.6996 -7.4677 -7.4676 -6.2935 -6.2935 -0.4423 -0.4422 0.7666 0.7669 4.6689 4.6689 5.9732 5.9733 6.0047 6.0072 6.5850 6.5878 7.3299 7.3313 7.5253 7.5253 8.2324 8.2339 8.4779 8.4779 10.6815 10.6815 12.8592 12.8594 15.6506 15.6506 16.0381 16.0384 17.7493 17.7498 18.3856 18.3864 k = 0.0000 0.0790-0.0000 ( 1663 PWs) bands (ev): -9.7207 -9.7207 -7.4860 -7.4860 -6.3134 -6.3134 -0.4590 -0.4589 0.7485 0.7488 4.7766 4.7766 5.9570 5.9570 6.0801 6.0827 6.6167 6.6195 7.3531 7.3543 7.5142 7.5142 8.2973 8.2986 8.4722 8.4722 10.7259 10.7260 12.9787 12.9789 15.6460 15.6460 15.9476 15.9479 17.6692 17.6696 18.3570 18.3575 k = 0.0000 0.0711-0.0000 ( 1667 PWs) bands (ev): -9.7398 -9.7398 -7.5027 -7.5027 -6.3315 -6.3315 -0.4742 -0.4741 0.7321 0.7324 4.8786 4.8787 5.9422 5.9422 6.1463 6.1490 6.6407 6.6436 7.3768 7.3778 7.5041 7.5041 8.3627 8.3639 8.4670 8.4670 10.7662 10.7662 13.0914 13.0915 15.6417 15.6417 15.8622 15.8625 17.5923 17.5926 18.3264 18.3267 k = 0.0000 0.0632-0.0000 ( 1679 PWs) bands (ev): -9.7570 -9.7570 -7.5177 -7.5176 -6.3477 -6.3477 -0.4880 -0.4879 0.7174 0.7176 4.9740 4.9741 5.9289 5.9289 6.2033 6.2060 6.6584 6.6613 7.4005 7.4014 7.4950 7.4950 8.4268 8.4280 8.4623 8.4624 10.8021 10.8022 13.1963 13.1964 15.6379 15.6379 15.7829 15.7831 17.5198 17.5202 18.2954 18.2955 k = 0.0000 0.0553-0.0000 ( 1677 PWs) bands (ev): -9.7721 -9.7721 -7.5309 -7.5309 -6.3621 -6.3620 -0.5002 -0.5001 0.7044 0.7045 5.0621 5.0621 5.9171 5.9171 6.2511 6.2537 6.6711 6.6740 7.4238 7.4246 7.4869 7.4869 8.4578 8.4580 8.4885 8.4893 10.8338 10.8338 13.2924 13.2925 15.6345 15.6345 15.7104 15.7106 17.4531 17.4534 18.2653 18.2654 k = 0.0000 0.0474-0.0000 ( 1683 PWs) bands (ev): -9.7852 -9.7852 -7.5424 -7.5424 -6.3745 -6.3745 -0.5109 -0.5108 0.6931 0.6932 5.1416 5.1416 5.9069 5.9069 6.2900 6.2925 6.6800 6.6827 7.4460 7.4467 7.4800 7.4800 8.4542 8.4542 8.5451 8.5459 10.8610 10.8611 13.3787 13.3787 15.6315 15.6315 15.6455 15.6457 17.3931 17.3934 18.2372 18.2373 k = 0.0000 0.0395-0.0000 ( 1679 PWs) bands (ev): -9.7963 -9.7963 -7.5522 -7.5522 -6.3850 -6.3850 -0.5200 -0.5199 0.6835 0.6836 5.2116 5.2116 5.8983 5.8983 6.3206 6.3229 6.6861 6.6885 7.4659 7.4664 7.4747 7.4747 8.4511 8.4511 8.5959 8.5965 10.8841 10.8841 13.4540 13.4541 15.5890 15.5891 15.6289 15.6289 17.3408 17.3410 18.2120 18.2121 k = 0.0000 0.0316-0.0000 ( 1683 PWs) bands (ev): -9.8055 -9.8055 -7.5602 -7.5602 -6.3937 -6.3937 -0.5274 -0.5274 0.6756 0.6757 5.2711 5.2711 5.8912 5.8912 6.3437 6.3457 6.6902 6.6922 7.4685 7.4685 7.4852 7.4856 8.4484 8.4484 8.6392 8.6397 10.9028 10.9028 13.5174 13.5175 15.5416 15.5417 15.6268 15.6268 17.2968 17.2970 18.1903 18.1905 k = 0.0000 0.0237-0.0000 ( 1679 PWs) bands (ev): -9.8125 -9.8125 -7.5664 -7.5664 -6.4004 -6.4004 -0.5332 -0.5332 0.6695 0.6696 5.3188 5.3188 5.8857 5.8857 6.3602 6.3618 6.6929 6.6946 7.4649 7.4649 7.4999 7.5002 8.4463 8.4464 8.6742 8.6746 10.9173 10.9173 13.5680 13.5680 15.5040 15.5040 15.6252 15.6252 17.2619 17.2621 18.1728 18.1729 k = 0.0000 0.0158-0.0000 ( 1679 PWs) bands (ev): -9.8176 -9.8176 -7.5709 -7.5709 -6.4052 -6.4052 -0.5374 -0.5374 0.6651 0.6652 5.3538 5.3538 5.8818 5.8818 6.3712 6.3723 6.6947 6.6959 7.4623 7.4623 7.5110 7.5112 8.4449 8.4449 8.6998 8.7001 10.9276 10.9276 13.6048 13.6048 15.4766 15.4767 15.6240 15.6240 17.2366 17.2367 18.1599 18.1600 k = 0.0000 0.0079-0.0000 ( 1681 PWs) bands (ev): -9.8206 -9.8206 -7.5736 -7.5736 -6.4081 -6.4081 -0.5399 -0.5399 0.6625 0.6625 5.3752 5.3752 5.8794 5.8794 6.3775 6.3780 6.6959 6.6964 7.4606 7.4606 7.5178 7.5179 8.4440 8.4440 8.7155 8.7156 10.9338 10.9338 13.6271 13.6272 15.4600 15.4601 15.6233 15.6233 17.2213 17.2214 18.1520 18.1520 k = 0.0000 0.0000 0.0000 ( 1679 PWs) bands (ev): -9.8217 -9.8217 -7.5744 -7.5744 -6.4090 -6.4090 -0.5407 -0.5407 0.6616 0.6616 5.3824 5.3824 5.8786 5.8786 6.3796 6.3796 6.6964 6.6964 7.4601 7.4601 7.5202 7.5202 8.4437 8.4437 8.7208 8.7208 10.9358 10.9358 13.6346 13.6346 15.4545 15.4545 15.6231 15.6231 17.2162 17.2162 18.1494 18.1494 k = 0.0000 0.0000 0.0000 ( 1679 PWs) bands (ev): -9.8217 -9.8217 -7.5744 -7.5744 -6.4090 -6.4090 -0.5407 -0.5407 0.6616 0.6616 5.3824 5.3824 5.8786 5.8786 6.3796 6.3796 6.6964 6.6964 7.4601 7.4601 7.5202 7.5202 8.4437 8.4437 8.7208 8.7208 10.9358 10.9358 13.6346 13.6346 15.4545 15.4545 15.6231 15.6231 17.2162 17.2162 18.1494 18.1494 k = 0.0000 0.0000 0.0079 ( 1675 PWs) bands (ev): -9.8215 -9.8215 -7.5757 -7.5757 -6.4071 -6.4071 -0.5521 -0.5521 0.6764 0.6764 5.3826 5.3826 5.8788 5.8788 6.3129 6.3129 6.7618 6.7618 7.4591 7.4591 7.5190 7.5190 8.4449 8.4449 8.7225 8.7225 10.9326 10.9326 13.6326 13.6326 15.4544 15.4544 15.6205 15.6205 17.2170 17.2170 18.1494 18.1494 k = 0.0000 0.0000 0.0158 ( 1683 PWs) bands (ev): -9.8212 -9.8212 -7.5796 -7.5796 -6.4014 -6.4014 -0.5845 -0.5845 0.7191 0.7191 5.3829 5.3829 5.8793 5.8793 6.1801 6.1801 6.8904 6.8904 7.4559 7.4559 7.5154 7.5154 8.4483 8.4483 8.7275 8.7275 10.9229 10.9229 13.6267 13.6267 15.4540 15.4540 15.6126 15.6126 17.2193 17.2193 18.1494 18.1494 k = 0.0000 0.0000 0.0238 ( 1683 PWs) bands (ev): -9.8207 -9.8207 -7.5859 -7.5859 -6.3921 -6.3921 -0.6338 -0.6338 0.7857 0.7857 5.3836 5.3836 5.8801 5.8801 6.0299 6.0299 7.0338 7.0338 7.4507 7.4507 7.5095 7.5095 8.4539 8.4539 8.7356 8.7356 10.9067 10.9067 13.6170 13.6170 15.4534 15.4534 15.6000 15.6000 17.2230 17.2230 18.1495 18.1495 k = 0.0000 0.0000 0.0317 ( 1679 PWs) bands (ev): -9.8199 -9.8199 -7.5943 -7.5943 -6.3794 -6.3794 -0.6951 -0.6951 0.8713 0.8713 5.3845 5.3845 5.8727 5.8727 5.8818 5.8818 7.1808 7.1808 7.4438 7.4438 7.5016 7.5016 8.4614 8.4614 8.7465 8.7465 10.8844 10.8844 13.6038 13.6038 15.4526 15.4526 15.5829 15.5829 17.2281 17.2281 18.1496 18.1496 k = 0.0000 0.0000 0.0396 ( 1675 PWs) bands (ev): -9.8190 -9.8190 -7.6045 -7.6045 -6.3639 -6.3639 -0.7640 -0.7640 0.9715 0.9715 5.3856 5.3856 5.7134 5.7134 5.8829 5.8829 7.3279 7.3279 7.4353 7.4353 7.4921 7.4921 8.4707 8.4707 8.7601 8.7601 10.8560 10.8560 13.5874 13.5874 15.4516 15.4516 15.5621 15.5621 17.2345 17.2345 18.1498 18.1498 k = 0.0000 0.0000 0.0475 ( 1671 PWs) bands (ev): -9.8179 -9.8179 -7.6163 -7.6163 -6.3460 -6.3460 -0.8370 -0.8370 1.0828 1.0828 5.3868 5.3868 5.5519 5.5519 5.8846 5.8846 7.4253 7.4253 7.4731 7.4731 7.4820 7.4820 8.4814 8.4814 8.7757 8.7757 10.8217 10.8217 13.5684 13.5684 15.4505 15.4505 15.5383 15.5383 17.2419 17.2419 18.1500 18.1500 k = 0.0000 0.0000 0.0555 ( 1663 PWs) bands (ev): -9.8167 -9.8167 -7.6291 -7.6291 -6.3261 -6.3261 -0.9113 -0.9113 1.2029 1.2029 5.3866 5.3866 5.3910 5.3910 5.8865 5.8865 7.4146 7.4146 7.4687 7.4687 7.6182 7.6182 8.4932 8.4932 8.7930 8.7930 10.7818 10.7818 13.5472 13.5472 15.4492 15.4492 15.5121 15.5121 17.2503 17.2503 18.1502 18.1502 k = 0.0000 0.0000 0.0634 ( 1661 PWs) bands (ev): -9.8153 -9.8153 -7.6427 -7.6427 -6.3049 -6.3049 -0.9852 -0.9852 1.3296 1.3296 5.2260 5.2260 5.3899 5.3899 5.8887 5.8887 7.4031 7.4031 7.4558 7.4558 7.7596 7.7596 8.5058 8.5058 8.8115 8.8115 10.7366 10.7366 13.5244 13.5244 15.4478 15.4478 15.4845 15.4845 17.2594 17.2594 18.1506 18.1506 k = 0.0000 0.0000 0.0713 ( 1660 PWs) bands (ev): -9.8139 -9.8139 -7.6566 -7.6566 -6.2828 -6.2828 -1.0569 -1.0569 1.4615 1.4615 5.0625 5.0625 5.3916 5.3916 5.8910 5.8910 7.3913 7.3913 7.4425 7.4425 7.8979 7.8979 8.5188 8.5188 8.8307 8.8307 10.6867 10.6867 13.5006 13.5006 15.4464 15.4464 15.4561 15.4561 17.2690 17.2690 18.1509 18.1509 k = 0.0000 0.0000 0.0792 ( 1658 PWs) bands (ev): -9.8125 -9.8125 -7.6705 -7.6705 -6.2604 -6.2604 -1.1255 -1.1255 1.5976 1.5976 4.8990 4.8990 5.3933 5.3933 5.8933 5.8933 7.3793 7.3793 7.4292 7.4292 8.0326 8.0326 8.5319 8.5319 8.8502 8.8502 10.6326 10.6326 13.4764 13.4764 15.4278 15.4278 15.4450 15.4450 17.2788 17.2788 18.1513 18.1513 k = 0.0000 0.0000 0.0872 ( 1658 PWs) bands (ev): -9.8110 -9.8110 -7.6841 -7.6841 -6.2383 -6.2383 -1.1900 -1.1900 1.7369 1.7369 4.7360 4.7360 5.3950 5.3950 5.8957 5.8957 7.3676 7.3676 7.4162 7.4162 8.1629 8.1629 8.5448 8.5448 8.8694 8.8694 10.5750 10.5750 13.4523 13.4523 15.4001 15.4001 15.4435 15.4435 17.2887 17.2887 18.1517 18.1517 k = 0.0000 0.0000 0.0951 ( 1654 PWs) bands (ev): -9.8096 -9.8096 -7.6970 -7.6970 -6.2170 -6.2170 -1.2495 -1.2495 1.8786 1.8786 4.5739 4.5739 5.3967 5.3967 5.8980 5.8980 7.3563 7.3563 7.4037 7.4037 8.2880 8.2880 8.5571 8.5571 8.8880 8.8880 10.5146 10.5146 13.4290 13.4290 15.3737 15.3737 15.4421 15.4421 17.2983 17.2983 18.1522 18.1522 k = 0.0000 0.0000 0.1030 ( 1654 PWs) bands (ev): -9.8082 -9.8082 -7.7090 -7.7090 -6.1969 -6.1969 -1.3035 -1.3035 2.0217 2.0217 4.4133 4.4133 5.3983 5.3983 5.9002 5.9002 7.3458 7.3458 7.3921 7.3921 8.4070 8.4070 8.5687 8.5687 8.9054 8.9054 10.4525 10.4525 13.4070 13.4070 15.3491 15.3491 15.4408 15.4408 17.3075 17.3075 18.1526 18.1526 k = 0.0000 0.0000 0.1109 ( 1654 PWs) bands (ev): -9.8070 -9.8070 -7.7199 -7.7199 -6.1784 -6.1784 -1.3514 -1.3514 2.1654 2.1654 4.2549 4.2549 5.3998 5.3998 5.9023 5.9023 7.3362 7.3362 7.3816 7.3816 8.5184 8.5184 8.5795 8.5795 8.9214 8.9214 10.3902 10.3902 13.3868 13.3868 15.3268 15.3268 15.4396 15.4396 17.3160 17.3160 18.1531 18.1531 k = 0.0000 0.0000 0.1189 ( 1660 PWs) bands (ev): -9.8058 -9.8058 -7.7295 -7.7295 -6.1621 -6.1621 -1.3927 -1.3927 2.3080 2.3080 4.0999 4.0999 5.4012 5.4012 5.9041 5.9041 7.3277 7.3277 7.3722 7.3722 8.5879 8.5879 8.6215 8.6215 8.9355 8.9355 10.3294 10.3294 13.3688 13.3688 15.3073 15.3073 15.4386 15.4386 17.3236 17.3236 18.1535 18.1535 k = 0.0000 0.0000 0.1268 ( 1654 PWs) bands (ev): -9.8049 -9.8049 -7.7375 -7.7375 -6.1482 -6.1482 -1.4270 -1.4270 2.4474 2.4474 3.9506 3.9506 5.4023 5.4023 5.9057 5.9057 7.3206 7.3206 7.3644 7.3644 8.5961 8.5961 8.7121 8.7121 8.9476 8.9476 10.2724 10.2724 13.3535 13.3535 15.2908 15.2908 15.4377 15.4377 17.3301 17.3301 18.1539 18.1539 k = 0.0000 0.0000 0.1347 ( 1658 PWs) bands (ev): -9.8041 -9.8041 -7.7439 -7.7439 -6.1371 -6.1371 -1.4541 -1.4541 2.5797 2.5797 3.8108 3.8108 5.4032 5.4032 5.9070 5.9070 7.3149 7.3149 7.3582 7.3582 8.6024 8.6024 8.7885 8.7885 8.9571 8.9571 10.2223 10.2223 13.3413 13.3413 15.2777 15.2777 15.4370 15.4370 17.3354 17.3354 18.1543 18.1543 k = 0.0000 0.0000 0.1426 ( 1662 PWs) bands (ev): -9.8035 -9.8035 -7.7485 -7.7485 -6.1289 -6.1289 -1.4736 -1.4736 2.6970 2.6970 3.6881 3.6881 5.4039 5.4039 5.9080 5.9080 7.3107 7.3107 7.3536 7.3536 8.6070 8.6070 8.8470 8.8470 8.9642 8.9642 10.1824 10.1824 13.3323 13.3323 15.2682 15.2682 15.4364 15.4364 17.3392 17.3392 18.1545 18.1545 k = 0.0000 0.0000 0.1505 ( 1656 PWs) bands (ev): -9.8032 -9.8032 -7.7513 -7.7513 -6.1240 -6.1240 -1.4854 -1.4854 2.7843 2.7843 3.5976 3.5976 5.4043 5.4043 5.9085 5.9085 7.3082 7.3082 7.3509 7.3509 8.6098 8.6098 8.8842 8.8842 8.9685 8.9685 10.1565 10.1565 13.3269 13.3269 15.2624 15.2624 15.4361 15.4361 17.3416 17.3416 18.1547 18.1547 k = 0.0000 0.0000 0.1585 ( 1660 PWs) bands (ev): -9.8031 -9.8031 -7.7523 -7.7523 -6.1223 -6.1223 -1.4893 -1.4893 2.8182 2.8182 3.5626 3.5626 5.4044 5.4044 5.9087 5.9087 7.3073 7.3073 7.3499 7.3499 8.6107 8.6107 8.8969 8.8969 8.9699 8.9699 10.1475 10.1475 13.3250 13.3250 15.2605 15.2605 15.4360 15.4360 17.3424 17.3424 18.1547 18.1547 k = 0.0000 0.0000 0.1585 ( 1660 PWs) bands (ev): -9.8031 -9.8031 -7.7523 -7.7523 -6.1223 -6.1223 -1.4893 -1.4893 2.8182 2.8182 3.5626 3.5626 5.4044 5.4044 5.9087 5.9087 7.3073 7.3073 7.3499 7.3499 8.6107 8.6107 8.8969 8.8969 8.9699 8.9699 10.1475 10.1475 13.3250 13.3250 15.2605 15.2605 15.4360 15.4360 17.3424 17.3424 18.1547 18.1547 k = 0.0079-0.0000 0.1585 ( 1652 PWs) bands (ev): -9.8020 -9.8020 -7.7513 -7.7513 -6.1213 -6.1213 -1.4882 -1.4882 2.8182 2.8183 3.5628 3.5629 5.4053 5.4053 5.9038 5.9038 7.3006 7.3007 7.3506 7.3507 8.6005 8.6019 8.8982 8.8997 8.9707 8.9707 10.1482 10.1484 13.3251 13.3251 15.2434 15.2435 15.4473 15.4473 17.3475 17.3475 18.1617 18.1617 k = 0.0159-0.0000 0.1585 ( 1652 PWs) bands (ev): -9.7989 -9.7989 -7.7484 -7.7483 -6.1183 -6.1183 -1.4849 -1.4849 2.8184 2.8185 3.5635 3.5637 5.4077 5.4077 5.8892 5.8893 7.2807 7.2809 7.3524 7.3524 8.5724 8.5749 8.9028 8.9055 8.9728 8.9728 10.1504 10.1509 13.3253 13.3253 15.1992 15.1994 15.4743 15.4744 17.3625 17.3627 18.1827 18.1827 k = 0.0238-0.0000 0.1585 ( 1646 PWs) bands (ev): -9.7938 -9.7937 -7.7435 -7.7435 -6.1133 -6.1133 -1.4794 -1.4794 2.8187 2.8188 3.5646 3.5649 5.4117 5.4117 5.8651 5.8652 7.2479 7.2481 7.3555 7.3555 8.5287 8.5318 8.9088 8.9123 8.9763 8.9763 10.1539 10.1546 13.3257 13.3257 15.1369 15.1371 15.5091 15.5091 17.3869 17.3871 18.2174 18.2175 k = 0.0317-0.0000 0.1585 ( 1652 PWs) bands (ev): -9.7865 -9.7865 -7.7366 -7.7366 -6.1062 -6.1062 -1.4716 -1.4716 2.8189 2.8191 3.5661 3.5665 5.4174 5.4174 5.8319 5.8321 7.2025 7.2029 7.3596 7.3597 8.4714 8.4748 8.9143 8.9182 8.9811 8.9811 10.1582 10.1591 13.3261 13.3261 15.0606 15.0608 15.5486 15.5487 17.4194 17.4197 18.2654 18.2655 k = 0.0397-0.0000 0.1585 ( 1652 PWs) bands (ev): -9.7773 -9.7773 -7.7279 -7.7279 -6.0972 -6.0972 -1.4616 -1.4616 2.8191 2.8193 3.5680 3.5684 5.4246 5.4246 5.7902 5.7904 7.1453 7.1457 7.3650 7.3651 8.4024 8.4059 8.9181 8.9221 8.9873 8.9873 10.1629 10.1638 13.3267 13.3267 14.9722 14.9724 15.5924 15.5925 17.4590 17.4594 18.3262 18.3264 k = 0.0476-0.0000 0.1585 ( 1648 PWs) bands (ev): -9.7659 -9.7659 -7.7172 -7.7172 -6.0862 -6.0862 -1.4495 -1.4495 2.8190 2.8192 3.5700 3.5705 5.4334 5.4334 5.7405 5.7407 7.0770 7.0774 7.3716 7.3716 8.3229 8.3264 8.9193 8.9232 8.9948 8.9949 10.1672 10.1683 13.3273 13.3273 14.8733 14.8735 15.6404 15.6407 17.5044 17.5049 18.3991 18.3992 k = 0.0556-0.0000 0.1585 ( 1646 PWs) bands (ev): -9.7525 -9.7525 -7.7046 -7.7046 -6.0732 -6.0732 -1.4351 -1.4351 2.8184 2.8187 3.5722 3.5728 5.4438 5.4439 5.6835 5.6838 6.9983 6.9988 7.3793 7.3794 8.2339 8.2372 8.9174 8.9212 9.0038 9.0038 10.1707 10.1718 13.3280 13.3280 14.7651 14.7654 15.6928 15.6931 17.5545 17.5550 18.4830 18.4832 k = 0.0635-0.0000 0.1585 ( 1654 PWs) bands (ev): -9.7371 -9.7371 -7.6901 -7.6900 -6.0582 -6.0582 -1.4185 -1.4185 2.8172 2.8176 3.5743 3.5750 5.4558 5.4558 5.6200 5.6204 6.9101 6.9106 7.3882 7.3882 8.1361 8.1391 8.9122 8.9158 9.0141 9.0141 10.1728 10.1740 13.3287 13.3287 14.6490 14.6492 15.7493 15.7497 17.6081 17.6086 18.5769 18.5772 k = 0.0714-0.0000 0.1585 ( 1654 PWs) bands (ev): -9.7196 -9.7196 -7.6736 -7.6736 -6.0412 -6.0412 -1.3997 -1.3997 2.8151 2.8154 3.5761 3.5769 5.4693 5.4693 5.5512 5.5516 6.8133 6.8138 7.3981 7.3981 8.0304 8.0333 8.9034 8.9068 9.0258 9.0258 10.1731 10.1743 13.3294 13.3294 14.5262 14.5264 15.8098 15.8103 17.6643 17.6649 18.6794 18.6797 k = 0.0794-0.0000 0.1585 ( 1650 PWs) bands (ev): -9.7001 -9.7001 -7.6553 -7.6553 -6.0222 -6.0222 -1.3787 -1.3787 2.8116 2.8120 3.5774 3.5783 5.4758 5.4769 5.4859 5.4864 6.7088 6.7093 7.4091 7.4092 7.9176 7.9203 8.8909 8.8940 9.0389 9.0389 10.1712 10.1724 13.3300 13.3300 14.3979 14.3981 15.8739 15.8744 17.7223 17.7230 18.7886 18.7889 k = 0.0873-0.0000 0.1585 ( 1650 PWs) bands (ev): -9.6786 -9.6786 -7.6351 -7.6351 -6.0013 -6.0013 -1.3556 -1.3556 2.8064 2.8069 3.5779 3.5790 5.4009 5.4015 5.5013 5.5014 6.5976 6.5981 7.4211 7.4212 7.7983 7.8007 8.8745 8.8773 9.0534 9.0534 10.1668 10.1680 13.3305 13.3305 14.2652 14.2654 15.9411 15.9417 17.7814 17.7821 18.9019 18.9023 k = 0.0952-0.0000 0.1585 ( 1654 PWs) bands (ev): -9.6550 -9.6550 -7.6131 -7.6131 -5.9784 -5.9784 -1.3302 -1.3302 2.7989 2.7995 3.5773 3.5785 5.3222 5.3230 5.5194 5.5195 6.4804 6.4809 7.4341 7.4341 7.6731 7.6753 8.8540 8.8566 9.0693 9.0693 10.1596 10.1607 13.3309 13.3309 14.1289 14.1291 16.0110 16.0117 17.8409 17.8416 19.0147 19.0152 k = 0.1032-0.0000 0.1585 ( 1658 PWs) bands (ev): -9.6294 -9.6294 -7.5892 -7.5892 -5.9535 -5.9535 -1.3027 -1.3027 2.7887 2.7893 3.5752 3.5765 5.2428 5.2436 5.5390 5.5391 6.3583 6.3587 7.4478 7.4480 7.5427 7.5446 8.8294 8.8317 9.0865 9.0865 10.1494 10.1505 13.3310 13.3310 13.9900 13.9902 16.0831 16.0838 17.9002 17.9010 19.1165 19.1169 k = 0.1111-0.0000 0.1585 ( 1662 PWs) bands (ev): -9.6018 -9.6018 -7.5636 -7.5635 -5.9267 -5.9267 -1.2730 -1.2730 2.7750 2.7757 3.5710 3.5725 5.1639 5.1649 5.5603 5.5603 6.2321 6.2325 7.4070 7.4091 7.4630 7.4632 8.8003 8.8025 9.1052 9.1052 10.1361 10.1371 13.3309 13.3309 13.8493 13.8495 16.1569 16.1577 17.9588 17.9597 19.1863 19.1863 k = 0.1190-0.0000 0.1585 ( 1662 PWs) bands (ev): -9.5723 -9.5723 -7.5361 -7.5361 -5.8980 -5.8980 -1.2412 -1.2412 2.7572 2.7579 3.5644 3.5661 5.0871 5.0881 5.5829 5.5829 6.1028 6.1033 7.2682 7.2700 7.4785 7.4786 8.7669 8.7688 9.1253 9.1253 10.1196 10.1206 13.3304 13.3304 13.7075 13.7077 16.2320 16.2328 18.0164 18.0173 19.2178 19.2181 k = 0.1270-0.0000 0.1585 ( 1664 PWs) bands (ev): -9.5407 -9.5407 -7.5070 -7.5069 -5.8674 -5.8673 -1.2072 -1.2072 2.7343 2.7350 3.5548 3.5566 5.0136 5.0148 5.6071 5.6071 5.9715 5.9719 7.1257 7.1273 7.4949 7.4950 8.7290 8.7307 9.1467 9.1468 10.0999 10.1008 13.3295 13.3296 13.5650 13.5652 16.3079 16.3088 18.0725 18.0734 19.2071 19.2072 k = 0.1349-0.0000 0.1585 ( 1668 PWs) bands (ev): -9.5071 -9.5071 -7.4761 -7.4760 -5.8348 -5.8348 -1.1711 -1.1711 2.7055 2.7063 3.5415 3.5435 4.9450 4.9462 5.6326 5.6326 5.8391 5.8395 6.9803 6.9818 7.5121 7.5121 8.6864 8.6879 9.1696 9.1696 10.0769 10.0777 13.3282 13.3282 13.4226 13.4228 16.3844 16.3853 18.1269 18.1277 19.1654 19.1657 k = 0.1429-0.0000 0.1585 ( 1668 PWs) bands (ev): -9.4716 -9.4716 -7.4435 -7.4435 -5.8004 -5.8004 -1.1329 -1.1329 2.6700 2.6709 3.5239 3.5261 4.8824 4.8838 5.6595 5.6596 5.7068 5.7071 6.8327 6.8341 7.5298 7.5298 8.6390 8.6403 9.1939 9.1939 10.0507 10.0514 13.2805 13.2807 13.3263 13.3263 16.4610 16.4620 18.1792 18.1800 19.1098 19.1102 k = 0.1508-0.0000 0.1585 ( 1668 PWs) bands (ev): -9.4342 -9.4341 -7.4093 -7.4093 -5.7641 -5.7640 -1.0926 -1.0926 2.6270 2.6279 3.5014 3.5037 4.8270 4.8285 5.5755 5.5758 5.6879 5.6879 6.6835 6.6847 7.5482 7.5482 8.5867 8.5879 9.2196 9.2197 10.0213 10.0220 13.1393 13.1395 13.3237 13.3238 16.5375 16.5385 18.2294 18.2302 19.0490 19.0494 k = 0.1587-0.0000 0.1585 ( 1668 PWs) bands (ev): -9.3948 -9.3948 -7.3735 -7.3735 -5.7259 -5.7258 -1.0502 -1.0502 2.5758 2.5767 3.4733 3.4756 4.7794 4.7810 5.4467 5.4469 5.7176 5.7176 6.5333 6.5344 7.5670 7.5670 8.5296 8.5305 9.2468 9.2468 9.9889 9.9894 12.9992 12.9994 13.3205 13.3205 16.6136 16.6147 18.2772 18.2780 18.9865 18.9869 k = 0.1667-0.0000 0.1585 ( 1672 PWs) bands (ev): -9.3534 -9.3534 -7.3362 -7.3362 -5.6858 -5.6858 -1.0058 -1.0058 2.5161 2.5170 3.4386 3.4410 4.7399 4.7416 5.3214 5.3215 5.7486 5.7486 6.3829 6.3839 7.5862 7.5862 8.4674 8.4681 9.2754 9.2754 9.9535 9.9539 12.8605 12.8606 13.3164 13.3164 16.6892 16.6903 18.3228 18.3235 18.9242 18.9246 k = 0.1746-0.0000 0.1585 ( 1676 PWs) bands (ev): -9.3102 -9.3102 -7.2974 -7.2974 -5.6440 -5.6439 -0.9594 -0.9594 2.4476 2.4485 3.3967 3.3991 4.7087 4.7105 5.2010 5.2010 5.7810 5.7810 6.2331 6.2341 7.6058 7.6058 8.4001 8.4007 9.3054 9.3054 9.9152 9.9155 12.7234 12.7235 13.3115 13.3115 16.7642 16.7653 18.3659 18.3666 18.8632 18.8636 k = 0.1825-0.0000 0.1585 ( 1672 PWs) bands (ev): -9.2651 -9.2651 -7.2572 -7.2572 -5.6003 -5.6003 -0.9110 -0.9110 2.3706 2.3715 3.3467 3.3491 4.6854 4.6872 5.0864 5.0864 5.8145 5.8146 6.0851 6.0860 7.6256 7.6256 8.3279 8.3283 9.3369 9.3369 9.8742 9.8745 12.5880 12.5881 13.3055 13.3056 16.8383 16.8394 18.4068 18.4074 18.8042 18.8047 k = 0.1905-0.0000 0.1585 ( 1676 PWs) bands (ev): -9.2182 -9.2182 -7.2157 -7.2156 -5.5548 -5.5548 -0.8606 -0.8606 2.2855 2.2864 3.2876 3.2899 4.6691 4.6709 4.9785 4.9785 5.8494 5.8494 5.9402 5.9410 7.6455 7.6455 8.2506 8.2509 9.3698 9.3698 9.8307 9.8308 12.4545 12.4545 13.2986 13.2986 16.9115 16.9126 18.4456 18.4461 18.7478 18.7482 k = 0.1984-0.0000 0.1585 ( 1676 PWs) bands (ev): -9.1694 -9.1694 -7.1728 -7.1728 -5.5076 -5.5075 -0.8084 -0.8083 2.1929 2.1938 3.2186 3.2208 4.6588 4.6605 4.8777 4.8777 5.8001 5.8008 5.8854 5.8854 7.6655 7.6655 8.1684 8.1686 9.4042 9.4043 9.7848 9.7848 12.3228 12.3229 13.2904 13.2904 16.9837 16.9849 18.4824 18.4827 18.6944 18.6948 k = 0.2063-0.0000 0.1585 ( 1678 PWs) bands (ev): -9.1188 -9.1188 -7.1288 -7.1287 -5.4586 -5.4585 -0.7543 -0.7543 2.0938 2.0946 3.1393 3.1413 4.6524 4.6537 4.7844 4.7846 5.6671 5.6678 5.9225 5.9226 7.6855 7.6855 8.0813 8.0814 9.4401 9.4402 9.7366 9.7367 12.1930 12.1931 13.2810 13.2810 17.0549 17.0560 18.5174 18.5177 18.6444 18.6448 k = 0.2143-0.0000 0.1585 ( 1680 PWs) bands (ev): -9.0664 -9.0664 -7.0837 -7.0836 -5.4078 -5.4078 -0.6985 -0.6984 1.9890 1.9898 3.0493 3.0511 4.6402 4.6403 4.7051 4.7065 5.5442 5.5448 5.9608 5.9608 7.7053 7.7053 7.9896 7.9896 9.4775 9.4776 9.6864 9.6865 12.0651 12.0651 13.2703 13.2703 17.1249 17.1261 18.5509 18.5511 18.5982 18.5986 k = 0.2222-0.0000 0.1585 ( 1680 PWs) bands (ev): -9.0122 -9.0122 -7.0376 -7.0375 -5.3554 -5.3554 -0.6410 -0.6409 1.8796 1.8803 2.9491 2.9508 4.5800 4.5812 4.6771 4.6795 5.4349 5.4354 6.0002 6.0002 7.7248 7.7248 7.8933 7.8935 9.5164 9.5165 9.6343 9.6345 11.9389 11.9389 13.2582 13.2582 17.1938 17.1949 18.5560 18.5564 18.5832 18.5834 k = 0.2302-0.0000 0.1585 ( 1688 PWs) bands (ev): -8.9563 -8.9563 -6.9906 -6.9906 -5.3013 -5.3012 -0.5820 -0.5819 1.7665 1.7672 2.8393 2.8408 4.4903 4.4914 4.6796 4.6816 5.3427 5.3432 6.0405 6.0405 7.7438 7.7438 7.7930 7.7932 9.5565 9.5568 9.5807 9.5808 11.8144 11.8144 13.2445 13.2445 17.2614 17.2625 18.5180 18.5183 18.6147 18.6148 k = 0.2381-0.0000 0.1585 ( 1692 PWs) bands (ev): -8.8987 -8.8987 -6.9429 -6.9428 -5.2455 -5.2454 -0.5215 -0.5214 1.6508 1.6515 2.7210 2.7224 4.3899 4.3908 4.6883 4.6900 5.2708 5.2711 6.0818 6.0818 7.6881 7.6885 7.7629 7.7629 9.5249 9.5255 9.5988 9.5989 11.6914 11.6915 13.2292 13.2292 17.3278 17.3289 18.4844 18.4848 18.6457 18.6457 k = 0.2460-0.0000 0.1585 ( 1692 PWs) bands (ev): -8.8394 -8.8394 -6.8946 -6.8945 -5.1880 -5.1879 -0.4599 -0.4598 1.5334 1.5341 2.5955 2.5968 4.2793 4.2802 4.6999 4.7014 5.2201 5.2203 6.1241 6.1241 7.5803 7.5807 7.7809 7.7809 9.4682 9.4688 9.6422 9.6422 11.5698 11.5699 13.2123 13.2123 17.3929 17.3939 18.4555 18.4558 18.6765 18.6766 k = 0.2540-0.0000 0.1585 ( 1692 PWs) bands (ev): -8.7785 -8.7785 -6.8458 -6.8457 -5.1289 -5.1288 -0.3974 -0.3973 1.4151 1.4159 2.4640 2.4652 4.1589 4.1597 4.7138 4.7150 5.1898 5.1898 6.1673 6.1673 7.4692 7.4697 7.7984 7.7984 9.4102 9.4108 9.6871 9.6871 11.4496 11.4497 13.1937 13.1937 17.4565 17.4574 18.4314 18.4317 18.7075 18.7077 k = 0.2619-0.0000 0.1585 ( 1688 PWs) bands (ev): -8.7160 -8.7160 -6.7967 -6.7966 -5.0682 -5.0681 -0.3344 -0.3342 1.2971 1.2979 2.3279 2.3290 4.0300 4.0307 4.7295 4.7305 5.1771 5.1772 6.2113 6.2113 7.3553 7.3559 7.8150 7.8151 9.3512 9.3518 9.7336 9.7336 11.3305 11.3306 13.1732 13.1732 17.5186 17.5195 18.4123 18.4126 18.7391 18.7393 k = 0.2698-0.0000 0.1585 ( 1694 PWs) bands (ev): -8.6520 -8.6520 -6.7475 -6.7474 -5.0059 -5.0058 -0.2714 -0.2712 1.1803 1.1811 2.1884 2.1894 3.8942 3.8949 4.7472 4.7479 5.1791 5.1793 6.2561 6.2561 7.2392 7.2399 7.8308 7.8308 9.2911 9.2918 9.7815 9.7815 11.2123 11.2125 13.1508 13.1508 17.5792 17.5800 18.3982 18.3984 18.7716 18.7718 k = 0.2778-0.0000 0.1585 ( 1690 PWs) bands (ev): -8.5864 -8.5864 -6.6984 -6.6983 -4.9420 -4.9419 -0.2093 -0.2090 1.0658 1.0667 2.0467 2.0477 3.7535 3.7541 4.7665 4.7671 5.1928 5.1931 6.3017 6.3017 7.1215 7.1223 7.8456 7.8456 9.2302 9.2309 9.8310 9.8310 11.0951 11.0954 13.1265 13.1265 17.6381 17.6389 18.3893 18.3895 18.8053 18.8056 k = 0.2857-0.0000 0.1585 ( 1686 PWs) bands (ev): -8.5194 -8.5194 -6.6497 -6.6496 -4.8765 -4.8765 -0.1494 -0.1490 0.9551 0.9561 1.9041 1.9051 3.6094 3.6100 4.7873 4.7877 5.2156 5.2161 6.3478 6.3478 7.0029 7.0037 7.8593 7.8593 9.1686 9.1694 9.8820 9.8820 10.9787 10.9790 13.1002 13.1002 17.6954 17.6960 18.3856 18.3858 18.8405 18.8407 k = 0.2937-0.0000 0.1585 ( 1686 PWs) bands (ev): -8.4510 -8.4510 -6.6015 -6.6014 -4.8094 -4.8094 -0.0936 -0.0931 0.8501 0.8513 1.7618 1.7628 3.4632 3.4637 4.8089 4.8093 5.2456 5.2462 6.3946 6.3946 6.8840 6.8848 7.8718 7.8718 9.1065 9.1073 9.9344 9.9344 10.8630 10.8633 13.0719 13.0719 17.7509 17.7514 18.3871 18.3873 18.8773 18.8776 k = 0.3016-0.0000 0.1585 ( 1690 PWs) bands (ev): -8.3812 -8.3812 -6.5541 -6.5540 -4.7408 -4.7408 -0.0453 -0.0446 0.7538 0.7552 1.6212 1.6222 3.3159 3.3164 4.8308 4.8310 5.2813 5.2819 6.4419 6.4419 6.7659 6.7668 7.8830 7.8830 9.0439 9.0447 9.9883 9.9883 10.7479 10.7482 13.0414 13.0414 17.8046 17.8050 18.3938 18.3939 18.9160 18.9162 k = 0.3095-0.0000 0.1585 ( 1694 PWs) bands (ev): -8.3102 -8.3102 -6.5079 -6.5078 -4.6707 -4.6706 -0.0096 -0.0087 0.6706 0.6722 1.4841 1.4852 3.1684 3.1689 4.8519 4.8521 5.3213 5.3220 6.4897 6.4897 6.6496 6.6506 7.8928 7.8928 8.9809 8.9818 10.0436 10.0436 10.6334 10.6337 13.0089 13.0089 17.8566 17.8569 18.4057 18.4057 18.9567 18.9569 k = 0.3175-0.0000 0.1585 ( 1696 PWs) bands (ev): -8.2380 -8.2380 -6.4631 -6.4630 -4.5989 -4.5989 0.0063 0.0073 0.6060 0.6079 1.3530 1.3541 3.0214 3.0218 4.8711 4.8713 5.3648 5.3655 6.5359 6.5376 6.5381 6.5387 7.9011 7.9012 8.9179 8.9188 10.1004 10.1004 10.5194 10.5197 12.9742 12.9742 17.9070 17.9072 18.4224 18.4224 18.9994 18.9995 k = 0.3254-0.0000 0.1585 ( 1696 PWs) bands (ev): -8.1646 -8.1646 -6.4200 -6.4199 -4.5256 -4.5255 -0.0046 -0.0035 0.5640 0.5661 1.2317 1.2328 2.8754 2.8759 4.8867 4.8869 5.4109 5.4116 6.4287 6.4298 6.5865 6.5865 7.9079 7.9079 8.8549 8.8559 10.1585 10.1585 10.4059 10.4063 12.9374 12.9374 17.9560 17.9561 18.4437 18.4438 19.0442 19.0443 k = 0.3333-0.0000 0.1585 ( 1692 PWs) bands (ev): -8.0902 -8.0901 -6.3791 -6.3790 -4.4506 -4.4506 -0.0441 -0.0430 0.5406 0.5428 1.1266 1.1279 2.7312 2.7316 4.8967 4.8970 5.4588 5.4595 6.3281 6.3293 6.6354 6.6354 7.9131 7.9131 8.7922 8.7931 10.2179 10.2180 10.2931 10.2934 12.8985 12.8985 18.0037 18.0038 18.4694 18.4695 19.0910 19.0910 k = 0.3413-0.0000 0.1585 ( 1692 PWs) bands (ev): -8.0147 -8.0147 -6.3406 -6.3405 -4.3740 -4.3740 -0.1069 -0.1059 0.5208 0.5229 1.0480 1.0493 2.5892 2.5896 4.8987 4.8990 5.5078 5.5083 6.2375 6.2387 6.6844 6.6844 7.9166 7.9166 8.7298 8.7308 10.1806 10.1810 10.2787 10.2787 12.8574 12.8574 18.0505 18.0507 18.4991 18.4992 19.1397 19.1398 k = 0.3492-0.0000 0.1585 ( 1692 PWs) bands (ev): -7.9384 -7.9384 -6.3050 -6.3049 -4.2957 -4.2957 -0.1856 -0.1848 0.4864 0.4882 1.0069 1.0080 2.4502 2.4505 4.8900 4.8904 5.5569 5.5574 6.1601 6.1613 6.7335 6.7335 7.9183 7.9183 8.6682 8.6692 10.0689 10.0694 10.3407 10.3407 12.8142 12.8142 18.0967 18.0970 18.5323 18.5324 19.1903 19.1904 k = 0.3571-0.0000 0.1585 ( 1692 PWs) bands (ev): -7.8614 -7.8614 -6.2726 -6.2725 -4.2158 -4.2157 -0.2745 -0.2739 0.4292 0.4306 1.0058 1.0066 2.3152 2.3155 4.8678 4.8682 5.6054 5.6058 6.0991 6.1003 6.7826 6.7826 7.9182 7.9182 8.6074 8.6084 9.9579 9.9583 10.4039 10.4039 12.7689 12.7689 18.1427 18.1430 18.5685 18.5686 19.2425 19.2426 k = 0.3651-0.0000 0.1585 ( 1696 PWs) bands (ev): -7.7836 -7.7836 -6.2439 -6.2437 -4.1340 -4.1340 -0.3705 -0.3699 0.3553 0.3563 1.0347 1.0352 2.1855 2.1858 4.8299 4.8303 5.6522 5.6524 6.0573 6.0584 6.8316 6.8316 7.9163 7.9163 8.5478 8.5488 9.8476 9.8481 10.4682 10.4683 12.7215 12.7215 18.1887 18.1891 18.6072 18.6073 19.2962 19.2963 k = 0.3730-0.0000 0.1585 ( 1696 PWs) bands (ev): -7.7054 -7.7053 -6.2191 -6.2190 -4.0504 -4.0504 -0.4718 -0.4714 0.2751 0.2758 1.0801 1.0804 2.0633 2.0637 4.7753 4.7758 5.6966 5.6967 6.0359 6.0367 6.8806 6.8806 7.9124 7.9125 8.4897 8.4908 9.7383 9.7387 10.5337 10.5337 12.6722 12.6722 18.2350 18.2355 18.6480 18.6481 19.3511 19.3513 k = 0.3810-0.0000 0.1585 ( 1692 PWs) bands (ev): -7.6267 -7.6266 -6.1987 -6.1986 -3.9649 -3.9649 -0.5778 -0.5775 0.1961 0.1966 1.1304 1.1306 1.9526 1.9530 4.7048 4.7053 5.7382 5.7386 6.0340 6.0346 6.9293 6.9293 7.9067 7.9067 8.4336 8.4347 9.6300 9.6304 10.6001 10.6001 12.6208 12.6208 18.2818 18.2824 18.6905 18.6906 19.4069 19.4071 k = 0.3889-0.0000 0.1585 ( 1692 PWs) bands (ev): -7.5477 -7.5477 -6.1830 -6.1828 -3.8775 -3.8775 -0.6882 -0.6880 0.1233 0.1236 1.1743 1.1744 1.8604 1.8607 4.6201 4.6206 5.7778 5.7784 6.0486 6.0488 6.9778 6.9778 7.8990 7.8990 8.3799 8.3809 9.5228 9.5233 10.6675 10.6675 12.5676 12.5676 18.3292 18.3298 18.7342 18.7343 19.4633 19.4636 k = 0.3968-0.0000 0.1585 ( 1692 PWs) bands (ev): -7.4686 -7.4686 -6.1723 -6.1721 -3.7881 -3.7881 -0.8026 -0.8024 0.0592 0.0593 1.1978 1.1978 1.7981 1.7984 4.5238 4.5242 5.8165 5.8173 6.0752 6.0753 7.0259 7.0259 7.8894 7.8894 8.3290 8.3300 9.4171 9.4176 10.7357 10.7357 12.5125 12.5125 18.3772 18.3778 18.7787 18.7787 19.5200 19.5204 k = 0.4048-0.0000 0.1585 ( 1694 PWs) bands (ev): -7.3895 -7.3895 -6.1669 -6.1667 -3.6967 -3.6967 -0.9205 -0.9204 0.0052 0.0053 1.1869 1.1869 1.7785 1.7788 4.4184 4.4187 5.8557 5.8566 6.1094 6.1097 7.0735 7.0735 7.8777 7.8778 8.2816 8.2826 9.3129 9.3134 10.8047 10.8047 12.4557 12.4557 18.4257 18.4263 18.8236 18.8236 19.5765 19.5770 k = 0.4127-0.0000 0.1585 ( 1696 PWs) bands (ev): -7.3107 -7.3107 -6.1669 -6.1667 -3.6031 -3.6031 -1.0415 -1.0414 -0.0380 -0.0379 1.1390 1.1390 1.8034 1.8036 4.3060 4.3063 5.8958 5.8969 6.1477 6.1480 7.1205 7.1205 7.8641 7.8642 8.2383 8.2394 9.2106 9.2112 10.8744 10.8744 12.3972 12.3972 18.4745 18.4751 18.8685 18.8685 19.6326 19.6331 k = 0.4206-0.0000 0.1585 ( 1700 PWs) bands (ev): -7.2323 -7.2323 -6.1725 -6.1723 -3.5074 -3.5074 -1.1647 -1.1646 -0.0702 -0.0702 1.0651 1.0651 1.8615 1.8616 4.1886 4.1888 5.9371 5.9382 6.1870 6.1875 7.1668 7.1668 7.8486 7.8486 8.1999 8.2009 9.1105 9.1111 10.9447 10.9447 12.3371 12.3371 18.5233 18.5239 18.9127 18.9128 19.6877 19.6883 k = 0.4286-0.0000 0.1585 ( 1706 PWs) bands (ev): -7.1545 -7.1545 -6.1838 -6.1837 -3.4095 -3.4095 -1.2896 -1.2895 -0.0917 -0.0917 0.9775 0.9775 1.9402 1.9404 4.0675 4.0677 5.9793 5.9805 6.2253 6.2259 7.2124 7.2124 7.8311 7.8311 8.1671 8.1681 9.0129 9.0135 11.0155 11.0155 12.2754 12.2754 18.5717 18.5723 18.9560 18.9561 19.7413 19.7420 k = 0.4365-0.0000 0.1585 ( 1706 PWs) bands (ev): -7.0776 -7.0775 -6.2009 -6.2007 -3.3095 -3.3094 -1.4154 -1.4154 -0.1028 -0.1028 0.8844 0.8844 2.0317 2.0318 3.9439 3.9441 6.0221 6.0232 6.2608 6.2614 7.2570 7.2570 7.8117 7.8117 8.1407 8.1417 8.9183 8.9188 11.0867 11.0867 12.2125 12.2125 18.6192 18.6198 18.9978 18.9979 19.7930 19.7936 k = 0.4444-0.0000 0.1585 ( 1708 PWs) bands (ev): -7.0018 -7.0017 -6.2235 -6.2234 -3.2073 -3.2072 -1.5416 -1.5416 -0.1041 -0.1040 0.7902 0.7902 2.1313 2.1314 3.8186 3.8188 6.0647 6.0659 6.2920 6.2927 7.3007 7.3007 7.7905 7.7906 8.1214 8.1224 8.8271 8.8277 11.1582 11.1582 12.1482 12.1482 18.6650 18.6657 19.0373 19.0374 19.8420 19.8426 k = 0.4524-0.0000 0.1585 ( 1708 PWs) bands (ev): -6.9273 -6.9272 -6.2517 -6.2516 -3.1030 -3.1030 -1.6675 -1.6675 -0.0962 -0.0961 0.6979 0.6979 2.2367 2.2368 3.6924 3.6925 6.1066 6.1077 6.3178 6.3186 7.3432 7.3432 7.7676 7.7676 8.1099 8.1108 8.7401 8.7406 11.2299 11.2299 12.0828 12.0828 18.7085 18.7090 19.0739 19.0740 19.8875 19.8881 k = 0.4603-0.0000 0.1585 ( 1708 PWs) bands (ev): -6.8544 -6.8544 -6.2853 -6.2852 -2.9969 -2.9969 -1.7927 -1.7927 -0.0799 -0.0799 0.6093 0.6094 2.3464 2.3465 3.5657 3.5659 6.1469 6.1480 6.3374 6.3381 7.3844 7.3844 7.7431 7.7431 8.1065 8.1073 8.6580 8.6586 11.3015 11.3015 12.0165 12.0165 18.7484 18.7490 19.1068 19.1069 19.9286 19.9292 k = 0.4683-0.0000 0.1585 ( 1708 PWs) bands (ev): -6.7836 -6.7835 -6.3240 -6.3239 -2.8892 -2.8891 -1.9164 -1.9164 -0.0566 -0.0566 0.5264 0.5264 2.4594 2.4595 3.4391 3.4392 6.1849 6.1859 6.3502 6.3509 7.4240 7.4240 7.7172 7.7172 8.1110 8.1118 8.5822 8.5828 11.3729 11.3729 11.9494 11.9494 18.7838 18.7842 19.1353 19.1354 19.9640 19.9645 k = 0.4762-0.0000 0.1585 ( 1708 PWs) bands (ev): -6.7149 -6.7149 -6.3676 -6.3675 -2.7806 -2.7805 -2.0377 -2.0376 -0.0281 -0.0281 0.4513 0.4513 2.5752 2.5752 3.3130 3.3131 6.2193 6.2203 6.3563 6.3570 7.4614 7.4614 7.6905 7.6905 8.1224 8.1231 8.5146 8.5151 11.4437 11.4437 11.8820 11.8820 18.8132 18.8136 19.1584 19.1585 19.9920 19.9924 k = 0.4841-0.0000 0.1585 ( 1704 PWs) bands (ev): -6.6490 -6.6489 -6.4156 -6.4155 -2.6730 -2.6729 -2.1545 -2.1544 0.0022 0.0022 0.3876 0.3876 2.6930 2.6930 3.1879 3.1879 6.2487 6.2495 6.3565 6.3572 7.4957 7.4957 7.6639 7.6639 8.1382 8.1388 8.4582 8.4586 11.5130 11.5130 11.8151 11.8151 18.8355 18.8357 19.1756 19.1756 20.0115 20.0117 k = 0.4921-0.0000 0.1585 ( 1700 PWs) bands (ev): -6.5863 -6.5862 -6.4676 -6.4675 -2.5734 -2.5733 -2.2596 -2.2596 0.0277 0.0277 0.3421 0.3421 2.8116 2.8116 3.0649 3.0650 6.2702 6.2707 6.3532 6.3536 7.5235 7.5235 7.6407 7.6407 8.1535 8.1538 8.4187 8.4189 11.5774 11.5774 11.7521 11.7521 18.8494 18.8495 19.1861 19.1861 20.0223 20.0224 k = 0.5000-0.0000 0.1585 ( 1700 PWs) bands (ev): -6.5365 -6.5365 -6.5137 -6.5137 -2.5194 -2.5194 -2.3154 -2.3154 0.0383 0.0383 0.3248 0.3248 2.9068 2.9068 2.9683 2.9683 6.2788 6.2788 6.3510 6.3510 7.5358 7.5358 7.6299 7.6299 8.1602 8.1602 8.4040 8.4040 11.6145 11.6145 11.7156 11.7156 18.8541 18.8541 19.1897 19.1897 20.0256 20.0256 k = 0.5000-0.0000 0.1585 ( 1700 PWs) bands (ev): -6.5365 -6.5365 -6.5137 -6.5137 -2.5194 -2.5194 -2.3154 -2.3154 0.0383 0.0383 0.3248 0.3248 2.9068 2.9068 2.9683 2.9683 6.2788 6.2788 6.3510 6.3510 7.5358 7.5358 7.6299 7.6299 8.1602 8.1602 8.4040 8.4040 11.6145 11.6145 11.7156 11.7156 18.8541 18.8541 19.1897 19.1897 20.0256 20.0256 k = 0.5000 0.0079 0.1585 ( 1700 PWs) bands (ev): -6.5357 -6.5357 -6.5128 -6.5128 -2.5184 -2.5184 -2.3145 -2.3145 0.0393 0.0393 0.3257 0.3257 2.9076 2.9076 2.9691 2.9692 6.2784 6.2784 6.3506 6.3507 7.5316 7.5318 7.6251 7.6252 8.1602 8.1602 8.4045 8.4045 11.6089 11.6090 11.7098 11.7098 18.8506 18.8506 19.1818 19.1821 20.0313 20.0313 k = 0.5000 0.0158 0.1585 ( 1700 PWs) bands (ev): -6.5333 -6.5333 -6.5104 -6.5104 -2.5154 -2.5154 -2.3116 -2.3116 0.0421 0.0421 0.3283 0.3283 2.9101 2.9101 2.9716 2.9716 6.2774 6.2774 6.3494 6.3497 7.5193 7.5197 7.6108 7.6110 8.1602 8.1603 8.4060 8.4061 11.5924 11.5926 11.6924 11.6925 18.8399 18.8399 19.1588 19.1592 20.0480 20.0481 k = 0.5000 0.0237 0.1585 ( 1696 PWs) bands (ev): -6.5292 -6.5292 -6.5063 -6.5063 -2.5104 -2.5104 -2.3068 -2.3067 0.0468 0.0468 0.3327 0.3327 2.9142 2.9143 2.9758 2.9758 6.2756 6.2756 6.3475 6.3479 7.4991 7.4996 7.5873 7.5876 8.1603 8.1604 8.4085 8.4086 11.5651 11.5653 11.6636 11.6638 18.8219 18.8220 19.1214 19.1220 20.0753 20.0755 k = 0.5000 0.0316 0.1585 ( 1696 PWs) bands (ev): -6.5236 -6.5235 -6.5007 -6.5007 -2.5034 -2.5034 -2.3000 -2.3000 0.0534 0.0534 0.3389 0.3389 2.9200 2.9201 2.9816 2.9816 6.2730 6.2731 6.3447 6.3453 7.4708 7.4716 7.5547 7.5550 8.1603 8.1605 8.4117 8.4118 11.5273 11.5275 11.6238 11.6240 18.7965 18.7966 19.0708 19.0715 20.1113 20.1116 k = 0.5000 0.0395 0.1585 ( 1700 PWs) bands (ev): -6.5163 -6.5163 -6.4934 -6.4934 -2.4944 -2.4944 -2.2914 -2.2913 0.0619 0.0619 0.3468 0.3468 2.9274 2.9275 2.9890 2.9891 6.2698 6.2698 6.3411 6.3418 7.4350 7.4359 7.5133 7.5138 8.1603 8.1606 8.4155 8.4156 11.4791 11.4795 11.5732 11.5735 18.7634 18.7636 19.0083 19.0091 20.1494 20.1498 k = 0.5000 0.0474 0.1585 ( 1700 PWs) bands (ev): -6.5074 -6.5074 -6.4845 -6.4844 -2.4835 -2.4835 -2.2808 -2.2807 0.0722 0.0723 0.3565 0.3566 2.9365 2.9366 2.9981 2.9982 6.2657 6.2658 6.3365 6.3373 7.3918 7.3930 7.4638 7.4643 8.1603 8.1606 8.4197 8.4198 11.4212 11.4215 11.5125 11.5128 18.7227 18.7229 18.9357 18.9366 20.1709 20.1715 k = 0.5000 0.0553 0.1585 ( 1700 PWs) bands (ev): -6.4970 -6.4969 -6.4740 -6.4739 -2.4706 -2.4706 -2.2683 -2.2683 0.0844 0.0845 0.3680 0.3680 2.9472 2.9473 3.0089 3.0089 6.2609 6.2610 6.3308 6.3318 7.3417 7.3431 7.4064 7.4069 8.1601 8.1605 8.4242 8.4244 11.3538 11.3542 11.4420 11.4423 18.6745 18.6747 18.8544 18.8553 20.1698 20.1703 k = 0.5000 0.0632 0.1585 ( 1696 PWs) bands (ev): -6.4849 -6.4849 -6.4619 -6.4618 -2.4557 -2.4556 -2.2539 -2.2538 0.0985 0.0985 0.3812 0.3812 2.9595 2.9596 3.0212 3.0213 6.2552 6.2554 6.3239 6.3251 7.2851 7.2868 7.3416 7.3422 8.1598 8.1602 8.4289 8.4290 11.2775 11.2780 11.3624 11.3628 18.6188 18.6191 18.7657 18.7666 20.1574 20.1579 k = 0.5000 0.0711 0.1585 ( 1696 PWs) bands (ev): -6.4713 -6.4713 -6.4482 -6.4482 -2.4388 -2.4388 -2.2376 -2.2375 0.1144 0.1144 0.3961 0.3961 2.9734 2.9736 3.0352 3.0353 6.2488 6.2489 6.3155 6.3170 7.2225 7.2244 7.2699 7.2705 8.1592 8.1597 8.4335 8.4336 11.1929 11.1935 11.2744 11.2749 18.5563 18.5566 18.6711 18.6720 20.1383 20.1388 k = 0.5000 0.0790 0.1585 ( 1688 PWs) bands (ev): -6.4562 -6.4561 -6.4329 -6.4329 -2.4200 -2.4199 -2.2194 -2.2193 0.1321 0.1321 0.4127 0.4127 2.9888 2.9891 3.0508 3.0509 6.2414 6.2416 6.3055 6.3072 7.1546 7.1568 7.1917 7.1924 8.1583 8.1589 8.4380 8.4381 11.1006 11.1012 11.1787 11.1792 18.4873 18.4876 18.5715 18.5724 20.1135 20.1139 k = 0.5000 0.0869 0.1585 ( 1688 PWs) bands (ev): -6.4394 -6.4394 -6.4162 -6.4161 -2.3992 -2.3991 -2.1993 -2.1993 0.1516 0.1516 0.4309 0.4309 3.0058 3.0061 3.0680 3.0681 6.2331 6.2333 6.2933 6.2953 7.0820 7.0845 7.1075 7.1082 8.1570 8.1576 8.4423 8.4423 11.0010 11.0017 11.0759 11.0764 18.4124 18.4127 18.4681 18.4689 20.0829 20.0833 k = 0.5000 0.0948 0.1585 ( 1688 PWs) bands (ev): -6.4212 -6.4211 -6.3978 -6.3978 -2.3765 -2.3764 -2.1774 -2.1773 0.1728 0.1729 0.4509 0.4509 3.0244 3.0247 3.0868 3.0869 6.2238 6.2241 6.2784 6.2808 7.0055 7.0084 7.0177 7.0185 8.1552 8.1559 8.4462 8.4462 10.8948 10.8956 10.9668 10.9673 18.3324 18.3327 18.3617 18.3625 20.0465 20.0468 k = 0.5000 0.1027 0.1585 ( 1688 PWs) bands (ev): -6.4014 -6.4014 -6.3780 -6.3779 -2.3518 -2.3518 -2.1536 -2.1535 0.1959 0.1959 0.4725 0.4725 3.0444 3.0447 3.1071 3.1072 6.2135 6.2138 6.2602 6.2630 6.9225 6.9232 6.9269 6.9301 8.1528 8.1535 8.4498 8.4498 10.7827 10.7835 10.8520 10.8526 18.2478 18.2481 18.2532 18.2539 20.0045 20.0047 k = 0.5000 0.1106 0.1585 ( 1692 PWs) bands (ev): -6.3802 -6.3801 -6.3566 -6.3565 -2.3252 -2.3252 -2.1280 -2.1279 0.2206 0.2207 0.4958 0.4958 3.0659 3.0662 3.1290 3.1291 6.2021 6.2025 6.2376 6.2408 6.8230 6.8239 6.8463 6.8502 8.1495 8.1503 8.4528 8.4528 10.6651 10.6660 10.7324 10.7330 18.1431 18.1438 18.1595 18.1599 19.9568 19.9570 k = 0.5000 0.1185 0.1585 ( 1692 PWs) bands (ev): -6.3575 -6.3574 -6.3338 -6.3337 -2.2968 -2.2967 -2.1006 -2.1005 0.2470 0.2471 0.5206 0.5206 3.0888 3.0892 3.1524 3.1526 6.1895 6.1900 6.2092 6.2129 6.7192 6.7201 6.7666 6.7709 8.1453 8.1461 8.4552 8.4553 10.5427 10.5436 10.6085 10.6093 18.0322 18.0328 18.0679 18.0683 19.9038 19.9039 k = 0.5000 0.1264 0.1585 ( 1692 PWs) bands (ev): -6.3333 -6.3332 -6.3095 -6.3094 -2.2664 -2.2663 -2.0713 -2.0712 0.2751 0.2753 0.5470 0.5470 3.1131 3.1135 3.1773 3.1775 6.1731 6.1750 6.1763 6.1781 6.6116 6.6126 6.6896 6.6945 8.1399 8.1408 8.4570 8.4571 10.4160 10.4170 10.4813 10.4821 17.9210 17.9216 17.9739 17.9743 19.8457 19.8458 k = 0.5000 0.1343 0.1585 ( 1700 PWs) bands (ev): -6.3078 -6.3077 -6.2837 -6.2837 -2.2341 -2.2341 -2.0403 -2.0401 0.3049 0.3050 0.5750 0.5750 3.1387 3.1391 3.2037 3.2039 6.1274 6.1318 6.1607 6.1612 6.5005 6.5017 6.6178 6.6231 8.1330 8.1340 8.4579 8.4581 10.2855 10.2866 10.3513 10.3521 17.8101 17.8106 17.8779 17.8783 19.7830 19.7830 k = 0.5000 0.1422 0.1585 ( 1696 PWs) bands (ev): -6.2808 -6.2807 -6.2566 -6.2565 -2.2000 -2.1999 -2.0074 -2.0073 0.3362 0.3363 0.6045 0.6045 3.1656 3.1661 3.2316 3.2318 6.0703 6.0749 6.1441 6.1448 6.3868 6.3882 6.5537 6.5592 8.1245 8.1256 8.4580 8.4582 10.1518 10.1529 10.2193 10.2202 17.6999 17.7003 17.7806 17.7810 19.7162 19.7163 k = 0.5000 0.1501 0.1585 ( 1700 PWs) bands (ev): -6.2525 -6.2524 -6.2281 -6.2280 -2.1641 -2.1640 -1.9729 -1.9727 0.3690 0.3692 0.6355 0.6355 3.1936 3.1942 3.2608 3.2611 6.0008 6.0054 6.1254 6.1268 6.2706 6.2726 6.4982 6.5037 8.1139 8.1151 8.4571 8.4573 10.0154 10.0166 10.0862 10.0871 17.5909 17.5913 17.6825 17.6829 19.6457 19.6458 k = 0.5000 0.1580 0.1585 ( 1696 PWs) bands (ev): -6.2228 -6.2227 -6.1982 -6.1982 -2.1263 -2.1262 -1.9366 -1.9364 0.4034 0.4035 0.6679 0.6679 3.2229 3.2235 3.2915 3.2917 5.9197 5.9240 6.1016 6.1054 6.1544 6.1588 6.4512 6.4566 8.1009 8.1021 8.4550 8.4553 9.8767 9.8780 9.9527 9.9537 17.4835 17.4838 17.5841 17.5844 19.5721 19.5723 k = 0.5000 0.1658 0.1585 ( 1700 PWs) bands (ev): -6.1919 -6.1918 -6.1671 -6.1670 -2.0867 -2.0867 -1.8986 -1.8984 0.4392 0.4393 0.7017 0.7017 3.2532 3.2538 3.3234 3.3237 5.8286 5.8325 6.0254 6.0279 6.0908 6.0940 6.4113 6.4162 8.0848 8.0862 8.4516 8.4520 9.7363 9.7376 9.8196 9.8207 17.3781 17.3783 17.4859 17.4862 19.4959 19.4962 k = 0.5000 0.1737 0.1585 ( 1692 PWs) bands (ev): -6.1597 -6.1596 -6.1346 -6.1345 -2.0454 -2.0453 -1.8589 -1.8588 0.4764 0.4766 0.7369 0.7369 3.2844 3.2851 3.3567 3.3570 5.7297 5.7331 5.9072 5.9079 6.0669 6.0683 6.3765 6.3811 8.0653 8.0667 8.4468 8.4472 9.5945 9.5960 9.6880 9.6891 17.2751 17.2753 17.3882 17.3885 19.4177 19.4180 k = 0.5000 0.1816 0.1585 ( 1684 PWs) bands (ev): -6.1263 -6.1261 -6.1010 -6.1009 -2.0023 -2.0022 -1.8176 -1.8175 0.5149 0.5151 0.7733 0.7734 3.3165 3.3173 3.3912 3.3915 5.6249 5.6278 5.7855 5.7857 6.0426 6.0435 6.3452 6.3494 8.0415 8.0430 8.4403 8.4408 9.4520 9.4536 9.5587 9.5600 17.1749 17.1751 17.2916 17.2919 19.3380 19.3383 k = 0.5000 0.1895 0.1585 ( 1688 PWs) bands (ev): -6.0917 -6.0916 -6.0661 -6.0660 -1.9575 -1.9574 -1.7747 -1.7746 0.5546 0.5548 0.8110 0.8111 3.3492 3.3501 3.4268 3.4272 5.5158 5.5183 5.6627 5.6627 6.0166 6.0173 6.3160 6.3198 8.0126 8.0142 8.4318 8.4324 9.3092 9.3109 9.4331 9.4344 17.0778 17.0779 17.1964 17.1967 19.2571 19.2575 k = 0.5000 0.1974 0.1585 ( 1692 PWs) bands (ev): -6.0560 -6.0559 -6.0301 -6.0300 -1.9110 -1.9109 -1.7303 -1.7301 0.5954 0.5957 0.8498 0.8499 3.3825 3.3835 3.4635 3.4639 5.4038 5.4060 5.5394 5.5395 5.9889 5.9895 6.2879 6.2915 7.9777 7.9795 8.4211 8.4218 9.1668 9.1685 9.3122 9.3135 16.9841 16.9842 17.1030 17.1032 19.1756 19.1761 k = 0.5000 0.2053 0.1585 ( 1692 PWs) bands (ev): -6.0193 -6.0191 -5.9930 -5.9930 -1.8629 -1.8628 -1.6843 -1.6841 0.6374 0.6377 0.8898 0.8898 3.4161 3.4172 3.5012 3.5017 5.2902 5.2920 5.4164 5.4165 5.9593 5.9598 6.2602 6.2635 7.9359 7.9377 8.4075 8.4083 9.0255 9.0274 9.1973 9.1987 16.8942 16.8942 17.0117 17.0118 19.0940 19.0944 k = 0.5000 0.2132 0.1585 ( 1696 PWs) bands (ev): -5.9815 -5.9814 -5.9549 -5.9548 -1.8131 -1.8130 -1.6369 -1.6367 0.6803 0.6806 0.9307 0.9308 3.4497 3.4511 3.5397 3.5403 5.1757 5.1771 5.2940 5.2941 5.9276 5.9281 6.2324 6.2355 7.8861 7.8880 8.3902 8.3911 8.8864 8.8885 9.0896 9.0910 16.8082 16.8082 16.9227 16.9229 19.0125 19.0130 k = 0.5000 0.2211 0.1585 ( 1696 PWs) bands (ev): -5.9428 -5.9426 -5.9158 -5.9157 -1.7618 -1.7617 -1.5880 -1.5878 0.7241 0.7244 0.9725 0.9726 3.4832 3.4847 3.5790 3.5796 5.0614 5.0624 5.1726 5.1727 5.8938 5.8943 6.2041 6.2070 7.8276 7.8295 8.3671 8.3683 8.7518 8.7541 8.9903 8.9917 16.7266 16.7266 16.8366 16.8367 18.9316 18.9321 k = 0.5000 0.2290 0.1585 ( 1696 PWs) bands (ev): -5.9032 -5.9030 -5.8758 -5.8757 -1.7089 -1.7088 -1.5378 -1.5376 0.7686 0.7690 1.0152 1.0153 3.5159 3.5176 3.6187 3.6195 4.9479 4.9486 5.0529 5.0529 5.8579 5.8584 6.1750 6.1778 7.7599 7.7618 8.3342 8.3356 8.6260 8.6285 8.9000 8.9014 16.6495 16.6496 16.7534 16.7535 18.8516 18.8522 k = 0.5000 0.2369 0.1585 ( 1700 PWs) bands (ev): -5.8628 -5.8626 -5.8350 -5.8349 -1.6546 -1.6545 -1.4862 -1.4860 0.8137 0.8141 1.0586 1.0587 3.5475 3.5495 3.6588 3.6597 4.8363 4.8366 4.9351 4.9351 5.8197 5.8202 6.1450 6.1476 7.6829 7.6848 8.2826 8.2840 8.5183 8.5208 8.8190 8.8203 16.5772 16.5774 16.6735 16.6736 18.7729 18.7735 k = 0.5000 0.2448 0.1585 ( 1700 PWs) bands (ev): -5.8216 -5.8214 -5.7933 -5.7932 -1.5989 -1.5988 -1.4334 -1.4332 0.8593 0.8597 1.1025 1.1027 3.5771 3.5794 3.6987 3.6998 4.7274 4.7276 4.8200 4.8202 5.7793 5.7798 6.1138 6.1163 7.5972 7.5991 8.2017 8.2025 8.4398 8.4418 8.7470 8.7483 16.5100 16.5102 16.5971 16.5972 18.6958 18.6963 k = 0.5000 0.2527 0.1585 ( 1700 PWs) bands (ev): -5.7797 -5.7796 -5.7510 -5.7509 -1.5418 -1.5417 -1.3795 -1.3793 0.9051 0.9055 1.1469 1.1470 3.6037 3.6064 3.7379 3.7393 4.6224 4.6231 4.7084 4.7087 5.7365 5.7370 6.0815 6.0838 7.5037 7.5056 8.0946 8.0946 8.3874 8.3888 8.6833 8.6845 16.4479 16.4481 16.5244 16.5244 18.6204 18.6210 k = 0.5000 0.2606 0.1585 ( 1708 PWs) bands (ev): -5.7373 -5.7372 -5.7081 -5.7080 -1.4835 -1.4833 -1.3245 -1.3243 0.9509 0.9514 1.1915 1.1917 3.6257 3.6289 3.7757 3.7773 4.5232 4.5244 4.6012 4.6019 5.6913 5.6919 6.0478 6.0500 7.4039 7.4056 7.9736 7.9741 8.3481 8.3489 8.6269 8.6280 16.3913 16.3915 16.4556 16.4556 18.5472 18.5478 k = 0.5000 0.2685 0.1585 ( 1704 PWs) bands (ev): -5.6944 -5.6942 -5.6646 -5.6645 -1.4239 -1.4237 -1.2684 -1.2682 0.9967 0.9973 1.2362 1.2364 3.6413 3.6451 3.8106 3.8127 4.4320 4.4339 4.5003 4.5014 5.6439 5.6445 6.0128 6.0150 7.2991 7.3008 7.8480 7.8488 8.3134 8.3140 8.5764 8.5774 16.3401 16.3403 16.3908 16.3909 18.4763 18.4769 k = 0.5000 0.2764 0.1585 ( 1704 PWs) bands (ev): -5.6511 -5.6509 -5.6207 -5.6206 -1.3631 -1.3630 -1.2115 -1.2112 1.0421 1.0427 1.2808 1.2810 3.6476 3.6520 3.8402 3.8429 4.3517 4.3544 4.4080 4.4096 5.5941 5.5948 5.9765 5.9786 7.1908 7.1924 7.7217 7.7227 8.2799 8.2802 8.5307 8.5316 16.2946 16.2948 16.3303 16.3304 18.4079 18.4085 k = 0.5000 0.2843 0.1585 ( 1708 PWs) bands (ev): -5.6074 -5.6073 -5.5764 -5.5763 -1.3013 -1.3012 -1.1537 -1.1535 1.0868 1.0875 1.3250 1.3253 3.6414 3.6465 3.8605 3.8640 4.2857 4.2890 4.3287 4.3311 5.5422 5.5429 5.9391 5.9411 7.0805 7.0821 7.5964 7.5976 8.2460 8.2461 8.4887 8.4895 16.2547 16.2550 16.2742 16.2742 18.3423 18.3429 k = 0.5000 0.2922 0.1585 ( 1708 PWs) bands (ev): -5.5636 -5.5634 -5.5319 -5.5318 -1.2386 -1.2384 -1.0952 -1.0950 1.1307 1.1313 1.3685 1.3689 3.6203 3.6259 3.8651 3.8696 4.2367 4.2406 4.2691 4.2723 5.4882 5.4890 5.9006 5.9025 6.9694 6.9709 7.4731 7.4745 8.2109 8.2109 8.4496 8.4502 16.2207 16.2209 16.2225 16.2226 18.2795 18.2802 k = 0.5000 0.3001 0.1585 ( 1712 PWs) bands (ev): -5.5197 -5.5195 -5.4873 -5.4872 -1.1750 -1.1748 -1.0362 -1.0360 1.1732 1.1740 1.4111 1.4115 3.5837 3.5895 3.8480 3.8530 4.2055 4.2098 4.2357 4.2396 5.4324 5.4334 5.8612 5.8630 6.8585 6.8599 7.3524 7.3539 8.1743 8.1744 8.4124 8.4130 16.1753 16.1754 16.1924 16.1927 18.2199 18.2205 k = 0.5000 0.3080 0.1585 ( 1716 PWs) bands (ev): -5.4757 -5.4756 -5.4427 -5.4426 -1.1106 -1.1105 -0.9768 -0.9766 1.2142 1.2150 1.4524 1.4529 3.5337 3.5396 3.8091 3.8143 4.1900 4.1943 4.2288 4.2329 5.3752 5.3762 5.8212 5.8230 6.7488 6.7501 7.2348 7.2365 8.1361 8.1362 8.3766 8.3771 16.1327 16.1329 16.1699 16.1702 18.1635 18.1642 k = 0.5000 0.3159 0.1585 ( 1716 PWs) bands (ev): -5.4320 -5.4318 -5.3982 -5.3981 -1.0457 -1.0455 -0.9171 -0.9169 1.2532 1.2540 1.4920 1.4925 3.4743 3.4800 3.7560 3.7610 4.1861 4.1903 4.2409 4.2448 5.3170 5.3181 5.7810 5.7827 6.6410 6.6423 7.1206 7.1224 8.0963 8.0965 8.3419 8.3423 16.0948 16.0950 16.1531 16.1534 18.1105 18.1111 k = 0.5000 0.3238 0.1585 ( 1712 PWs) bands (ev): -5.3885 -5.3884 -5.3540 -5.3538 -0.9803 -0.9801 -0.8573 -0.8571 1.2898 1.2907 1.5294 1.5299 3.4097 3.4152 3.6969 3.7016 4.1896 4.1936 4.2633 4.2670 5.2584 5.2597 5.7410 5.7426 6.5359 6.5372 7.0101 7.0119 8.0548 8.0551 8.3077 8.3080 16.0615 16.0617 16.1420 16.1423 18.0610 18.0616 k = 0.5000 0.3317 0.1585 ( 1712 PWs) bands (ev): -5.3455 -5.3453 -5.3101 -5.3100 -0.9146 -0.9144 -0.7976 -0.7974 1.3236 1.3246 1.5641 1.5647 3.3435 3.3488 3.6373 3.6419 4.1968 4.2006 4.2900 4.2934 5.2004 5.2018 5.7017 5.7033 6.4340 6.4353 6.9034 6.9052 8.0119 8.0122 8.2739 8.2741 16.0329 16.0331 16.1363 16.1367 18.0151 18.0158 k = 0.5000 0.3396 0.1585 ( 1704 PWs) bands (ev): -5.3030 -5.3029 -5.2668 -5.2667 -0.8487 -0.8485 -0.7382 -0.7380 1.3544 1.3555 1.5957 1.5963 3.2783 3.2834 3.5808 3.5852 4.2051 4.2087 4.3168 4.3202 5.1442 5.1458 5.6639 5.6654 6.3358 6.3370 6.8007 6.8027 7.9676 7.9680 8.2403 8.2405 16.0088 16.0090 16.1361 16.1364 17.9730 17.9736 k = 0.5000 0.3475 0.1585 ( 1704 PWs) bands (ev): -5.2613 -5.2611 -5.2242 -5.2241 -0.7829 -0.7828 -0.6793 -0.6791 1.3816 1.3827 1.6234 1.6241 3.2162 3.2211 3.5292 3.5335 4.2124 4.2158 4.3406 4.3440 5.0914 5.0931 5.6283 5.6297 6.2415 6.2427 6.7022 6.7043 7.9221 7.9225 8.2067 8.2069 15.9891 15.9893 16.1410 16.1413 17.9347 17.9353 k = 0.5000 0.3554 0.1585 ( 1708 PWs) bands (ev): -5.2204 -5.2203 -5.1825 -5.1824 -0.7175 -0.7173 -0.6211 -0.6209 1.4050 1.4062 1.6469 1.6476 3.1586 3.1633 3.4840 3.4882 4.2171 4.2205 4.3586 4.3621 5.0440 5.0460 5.5955 5.5969 6.1515 6.1526 6.6082 6.6102 7.8757 7.8761 8.1733 8.1734 15.9739 15.9741 16.1508 16.1512 17.9004 17.9010 k = 0.5000 0.3633 0.1585 ( 1708 PWs) bands (ev): -5.1806 -5.1804 -5.1418 -5.1417 -0.6525 -0.6524 -0.5640 -0.5638 1.4245 1.4257 1.6654 1.6662 3.1068 3.1113 3.4458 3.4500 4.2183 4.2215 4.3679 4.3715 5.0046 5.0068 5.5664 5.5678 6.0658 6.0669 6.5186 6.5207 7.8285 7.8289 8.1400 8.1401 15.9628 15.9631 16.1653 16.1656 17.8701 17.8708 k = 0.5000 0.3712 0.1585 ( 1712 PWs) bands (ev): -5.1419 -5.1418 -5.1022 -5.1022 -0.5884 -0.5882 -0.5081 -0.5080 1.4399 1.4411 1.6788 1.6795 3.0614 3.0658 3.4152 3.4193 4.2152 4.2183 4.3660 4.3696 4.9756 4.9778 5.5416 5.5429 5.9846 5.9857 6.4338 6.4359 7.7808 7.7812 8.1069 8.1069 15.9558 15.9560 16.1840 16.1844 17.8441 17.8447 k = 0.5000 0.3791 0.1585 ( 1716 PWs) bands (ev): -5.1047 -5.1046 -5.0641 -5.0640 -0.5253 -0.5252 -0.4539 -0.4537 1.4513 1.4526 1.6866 1.6874 3.0231 3.0272 3.3924 3.3966 4.2076 4.2105 4.3513 4.3549 4.9582 4.9605 5.5215 5.5228 5.9080 5.9091 6.3539 6.3561 7.7329 7.7334 8.0741 8.0741 15.9526 15.9528 16.2067 16.2070 17.8225 17.8231 k = 0.5000 0.3870 0.1585 ( 1708 PWs) bands (ev): -5.0690 -5.0689 -5.0275 -5.0274 -0.4637 -0.4635 -0.4015 -0.4013 1.4590 1.4602 1.6891 1.6899 2.9919 2.9959 3.3775 3.3816 4.1955 4.1983 4.3241 4.3276 4.9523 4.9546 5.5062 5.5074 5.8360 5.8372 6.2792 6.2813 7.6852 7.6857 8.0418 8.0418 15.9529 15.9532 16.2327 16.2331 17.8054 17.8060 k = 0.5000 0.3949 0.1585 ( 1700 PWs) bands (ev): -5.0350 -5.0349 -4.9927 -4.9926 -0.4038 -0.4036 -0.3513 -0.3512 1.4632 1.4644 1.6864 1.6871 2.9676 2.9714 3.3700 3.3741 4.1793 4.1820 4.2861 4.2895 4.9560 4.9581 5.4954 5.4967 5.7689 5.7701 6.2099 6.2120 7.6381 7.6385 8.0101 8.0102 15.9564 15.9567 16.2617 16.2620 17.7930 17.7936 k = 0.5000 0.4028 0.1585 ( 1704 PWs) bands (ev): -5.0030 -5.0029 -4.9598 -4.9597 -0.3461 -0.3459 -0.3038 -0.3036 1.4644 1.4656 1.6790 1.6798 2.9496 2.9532 3.3696 3.3737 4.1597 4.1623 4.2399 4.2432 4.9664 4.9683 5.4884 5.4898 5.7069 5.7083 6.1463 6.1484 7.5918 7.5923 7.9794 7.9795 15.9628 15.9631 16.2929 16.2932 17.7856 17.7862 k = 0.5000 0.4107 0.1585 ( 1704 PWs) bands (ev): -4.9730 -4.9729 -4.9290 -4.9289 -0.2909 -0.2908 -0.2591 -0.2589 1.4633 1.4644 1.6679 1.6685 2.9373 2.9406 3.3758 3.3798 4.1378 4.1402 4.1883 4.1915 4.9809 4.9826 5.4840 5.4856 5.6509 5.6525 6.0887 6.0907 7.5470 7.5474 7.9499 7.9499 15.9717 15.9719 16.3258 16.3261 17.7834 17.7839 k = 0.5000 0.4186 0.1585 ( 1700 PWs) bands (ev): -4.9452 -4.9451 -4.9004 -4.9004 -0.2388 -0.2386 -0.2176 -0.2174 1.4603 1.4614 1.6538 1.6544 2.9295 2.9326 3.3878 3.3918 4.1145 4.1168 4.1335 4.1366 4.9971 4.9986 5.4796 5.4814 5.6028 5.6046 6.0375 6.0394 7.5040 7.5044 7.9218 7.9219 15.9825 15.9827 16.3595 16.3598 17.7867 17.7872 k = 0.5000 0.4265 0.1585 ( 1700 PWs) bands (ev): -4.9199 -4.9198 -4.8744 -4.8743 -0.1902 -0.1901 -0.1796 -0.1795 1.4561 1.4571 1.6379 1.6384 2.9253 2.9282 3.4050 3.4090 4.0771 4.0802 4.0911 4.0931 5.0131 5.0146 5.4702 5.4722 5.5670 5.5689 5.9927 5.9946 7.4633 7.4637 7.8955 7.8956 15.9947 15.9949 16.3932 16.3935 17.7958 17.7963 k = 0.5000 0.4344 0.1585 ( 1704 PWs) bands (ev): -4.8972 -4.8971 -4.8509 -4.8509 -0.1456 -0.1455 -0.1455 -0.1454 1.4513 1.4522 1.6210 1.6215 2.9237 2.9263 3.4267 3.4306 4.0207 4.0238 4.0683 4.0702 5.0279 5.0292 5.4506 5.4522 5.5486 5.5502 5.9546 5.9563 7.4256 7.4260 7.8714 7.8714 16.0078 16.0080 16.4260 16.4263 17.7914 17.7919 k = 0.5000 0.4423 0.1585 ( 1704 PWs) bands (ev): -4.8771 -4.8770 -4.8303 -4.8302 -0.1154 -0.1153 -0.1056 -0.1055 1.4463 1.4471 1.6043 1.6047 2.9239 2.9261 3.4522 3.4561 3.9651 3.9682 4.0473 4.0490 5.0405 5.0416 5.4231 5.4242 5.5444 5.5454 5.9232 5.9247 7.3913 7.3917 7.8496 7.8496 16.0210 16.0213 16.4570 16.4572 17.7868 17.7873 k = 0.5000 0.4502 0.1585 ( 1704 PWs) bands (ev): -4.8599 -4.8598 -4.8126 -4.8125 -0.0896 -0.0896 -0.0706 -0.0705 1.4415 1.4422 1.5886 1.5889 2.9250 2.9269 3.4809 3.4848 3.9110 3.9142 4.0287 4.0301 5.0506 5.0515 5.3944 5.3951 5.5468 5.5474 5.8980 5.8994 7.3610 7.3614 7.8305 7.8306 16.0339 16.0341 16.4852 16.4854 17.7835 17.7840 k = 0.5000 0.4581 0.1585 ( 1696 PWs) bands (ev): -4.8457 -4.8456 -4.7979 -4.7978 -0.0683 -0.0683 -0.0412 -0.0411 1.4373 1.4379 1.5746 1.5748 2.9266 2.9282 3.5124 3.5162 3.8591 3.8623 4.0130 4.0142 5.0582 5.0589 5.3687 5.3691 5.5514 5.5518 5.8788 5.8799 7.3354 7.3356 7.8145 7.8145 16.0456 16.0458 16.5098 16.5099 17.7813 17.7817 k = 0.5000 0.4660 0.1585 ( 1692 PWs) bands (ev): -4.8345 -4.8344 -4.7863 -4.7863 -0.0516 -0.0516 -0.0177 -0.0176 1.4339 1.4343 1.5631 1.5632 2.9282 2.9294 3.5460 3.5496 3.8098 3.8129 4.0005 4.0014 5.0634 5.0640 5.3476 5.3479 5.5562 5.5565 5.8649 5.8657 7.3148 7.3150 7.8017 7.8017 16.0555 16.0557 16.5298 16.5300 17.7800 17.7803 k = 0.5000 0.4739 0.1585 ( 1692 PWs) bands (ev): -4.8264 -4.8264 -4.7780 -4.7780 -0.0396 -0.0396 -0.0007 -0.0006 1.4314 1.4317 1.5544 1.5546 2.9295 2.9303 3.5810 3.5844 3.7637 3.7668 3.9916 3.9922 5.0668 5.0672 5.3320 5.3322 5.5603 5.5605 5.8556 5.8561 7.2997 7.2999 7.7924 7.7924 16.0631 16.0632 16.5447 16.5448 17.7794 17.7797 k = 0.5000 0.4818 0.1585 ( 1688 PWs) bands (ev): -4.8216 -4.8215 -4.7730 -4.7730 -0.0324 -0.0324 0.0097 0.0097 1.4299 1.4300 1.5491 1.5492 2.9304 2.9308 3.6151 3.6180 3.7234 3.7261 3.9863 3.9866 5.0687 5.0689 5.3226 5.3227 5.5630 5.5630 5.8503 5.8506 7.2906 7.2907 7.7868 7.7868 16.0679 16.0679 16.5538 16.5539 17.7793 17.7794 k = 0.5000 0.4896 0.1585 ( 1688 PWs) bands (ev): -4.8199 -4.8199 -4.7713 -4.7713 -0.0300 -0.0300 0.0132 0.0132 1.4294 1.4294 1.5474 1.5474 2.9309 2.9309 3.6359 3.6359 3.7032 3.7032 3.9846 3.9846 5.0693 5.0693 5.3194 5.3194 5.5639 5.5639 5.8487 5.8487 7.2875 7.2875 7.7849 7.7849 16.0695 16.0695 16.5569 16.5569 17.7794 17.7794 k = 0.5000 0.4896 0.1585 ( 1688 PWs) bands (ev): -4.8199 -4.8199 -4.7713 -4.7713 -0.0300 -0.0300 0.0132 0.0132 1.4294 1.4294 1.5474 1.5474 2.9309 2.9309 3.6359 3.6359 3.7032 3.7032 3.9846 3.9846 5.0693 5.0693 5.3194 5.3194 5.5639 5.5639 5.8487 5.8487 7.2875 7.2875 7.7849 7.7849 16.0695 16.0695 16.5569 16.5569 17.7794 17.7794 k = 0.4921 0.4896 0.1585 ( 1688 PWs) bands (ev): -4.8217 -4.8217 -4.7732 -4.7731 -0.1364 -0.1364 0.1212 0.1212 1.4309 1.4310 1.5490 1.5491 2.9231 2.9237 3.6254 3.6266 3.7082 3.7089 3.9936 3.9947 5.0471 5.0476 5.3414 5.3418 5.5488 5.5489 5.8656 5.8657 7.2799 7.2799 7.7977 7.7977 16.0681 16.0682 16.5535 16.5536 17.7679 17.7681 k = 0.4841 0.4896 0.1585 ( 1688 PWs) bands (ev): -4.8271 -4.8270 -4.7786 -4.7786 -0.2602 -0.2602 0.2494 0.2494 1.4354 1.4356 1.5540 1.5541 2.9012 2.9023 3.5983 3.6003 3.7230 3.7245 4.0186 4.0206 4.9958 4.9966 5.3932 5.3936 5.5116 5.5117 5.9086 5.9086 7.2594 7.2595 7.8336 7.8338 16.0641 16.0641 16.5437 16.5438 17.7377 17.7381 k = 0.4762 0.4896 0.1585 ( 1692 PWs) bands (ev): -4.8359 -4.8359 -4.7878 -4.7877 -0.3830 -0.3830 0.3796 0.3797 1.4427 1.4431 1.5619 1.5621 2.8676 2.8692 3.5608 3.5634 3.7452 3.7472 4.0535 4.0559 4.9335 4.9345 5.4565 5.4568 5.4645 5.4645 5.9656 5.9657 7.2315 7.2316 7.8876 7.8878 16.0573 16.0574 16.5281 16.5283 17.6964 17.6969 k = 0.4683 0.4896 0.1585 ( 1692 PWs) bands (ev): -4.8482 -4.8482 -4.8004 -4.8004 -0.5043 -0.5043 0.5113 0.5113 1.4526 1.4530 1.5723 1.5726 2.8253 2.8273 3.5182 3.5211 3.7715 3.7740 4.0926 4.0953 4.8686 4.8697 5.4144 5.4146 5.5233 5.5237 6.0299 6.0300 7.2014 7.2015 7.9548 7.9550 16.0481 16.0482 16.5078 16.5081 17.6509 17.6515 k = 0.4603 0.4896 0.1585 ( 1692 PWs) bands (ev): -4.8638 -4.8638 -4.8165 -4.8164 -0.6239 -0.6239 0.6441 0.6441 1.4645 1.4651 1.5846 1.5850 2.7776 2.7799 3.4741 3.4772 3.7986 3.8014 4.1320 4.1349 4.8050 4.8061 5.3657 5.3658 5.5901 5.5905 6.0981 6.0983 7.1730 7.1731 8.0316 8.0319 16.0364 16.0365 16.4841 16.4844 17.6054 17.6061 k = 0.4524 0.4896 0.1585 ( 1688 PWs) bands (ev): -4.8827 -4.8827 -4.8359 -4.8358 -0.7419 -0.7419 0.7779 0.7779 1.4781 1.4788 1.5976 1.5980 2.7273 2.7298 3.4309 3.4342 3.8234 3.8264 4.1689 4.1719 4.7449 4.7460 5.3206 5.3208 5.6550 5.6553 6.1687 6.1688 7.1492 7.1493 8.1158 8.1161 16.0225 16.0226 16.4581 16.4584 17.5626 17.5634 k = 0.4444 0.4896 0.1585 ( 1692 PWs) bands (ev): -4.9047 -4.9047 -4.8585 -4.8584 -0.8581 -0.8581 0.9125 0.9125 1.4926 1.4934 1.6100 1.6106 2.6769 2.6797 3.3905 3.3939 3.8430 3.8461 4.2010 4.2041 4.6903 4.6913 5.2811 5.2812 5.7168 5.7170 6.2406 6.2408 7.1319 7.1319 8.2059 8.2063 16.0066 16.0068 16.4311 16.4314 17.5241 17.5249 k = 0.4365 0.4896 0.1585 ( 1688 PWs) bands (ev): -4.9297 -4.9296 -4.8841 -4.8841 -0.9726 -0.9726 1.0472 1.0472 1.5077 1.5086 1.6203 1.6210 2.6292 2.6321 3.3544 3.3580 3.8553 3.8585 4.2266 4.2297 4.6425 4.6435 5.2488 5.2488 5.7746 5.7747 6.3133 6.3135 7.1225 7.1225 8.3010 8.3013 15.9890 15.9892 16.4042 16.4045 17.4910 17.4918 k = 0.4286 0.4896 0.1585 ( 1696 PWs) bands (ev): -4.9574 -4.9573 -4.9126 -4.9126 -1.0853 -1.0853 1.1812 1.1812 1.5232 1.5242 1.6265 1.6273 2.5862 2.5893 3.3240 3.3276 3.8588 3.8619 4.2441 4.2470 4.6026 4.6033 5.2249 5.2250 5.8280 5.8281 6.3864 6.3867 7.1220 7.1220 8.4004 8.4007 15.9701 15.9703 16.3784 16.3787 17.4636 17.4645 k = 0.4206 0.4896 0.1585 ( 1696 PWs) bands (ev): -4.9877 -4.9877 -4.9438 -4.9437 -1.1961 -1.1961 1.3114 1.3115 1.5409 1.5419 1.6265 1.6273 2.5504 2.5535 3.3006 3.3043 3.8531 3.8559 4.2524 4.2553 4.5707 4.5711 5.2105 5.2107 5.8769 5.8769 6.4596 6.4599 7.1308 7.1309 8.5036 8.5040 15.9502 15.9504 16.3545 16.3549 17.4425 17.4434 k = 0.4127 0.4896 0.1585 ( 1696 PWs) bands (ev): -5.0205 -5.0204 -4.9775 -4.9774 -1.3052 -1.3051 1.4255 1.4260 1.5718 1.5726 1.6184 1.6193 2.5234 2.5265 3.2854 3.2892 3.8388 3.8413 4.2513 4.2541 4.5461 4.5461 5.2058 5.2062 5.9214 5.9214 6.5326 6.5329 7.1490 7.1490 8.6105 8.6108 15.9299 15.9301 16.3334 16.3337 17.4278 17.4288 k = 0.4048 0.4896 0.1585 ( 1696 PWs) bands (ev): -5.0555 -5.0554 -5.0134 -5.0133 -1.4123 -1.4123 1.4882 1.4892 1.6007 1.6017 1.6502 1.6505 2.5061 2.5092 3.2793 3.2832 3.8179 3.8200 4.2412 4.2438 4.5268 4.5272 5.2106 5.2111 5.9619 5.9620 6.6052 6.6055 7.1761 7.1762 8.7207 8.7211 15.9095 15.9097 16.3156 16.3159 17.4195 17.4205 k = 0.3968 0.4896 0.1585 ( 1692 PWs) bands (ev): -5.0925 -5.0924 -5.0514 -5.0513 -1.5176 -1.5176 1.5037 1.5050 1.5731 1.5740 1.7707 1.7708 2.4982 2.5012 3.2833 3.2873 3.7930 3.7946 4.2234 4.2258 4.5113 4.5121 5.2237 5.2244 5.9992 5.9993 6.6772 6.6776 7.2113 7.2115 8.8341 8.8345 15.8895 15.8897 16.3017 16.3020 17.4177 17.4188 k = 0.3889 0.4896 0.1585 ( 1700 PWs) bands (ev): -5.1314 -5.1313 -5.0913 -5.0912 -1.6210 -1.6210 1.5016 1.5029 1.5357 1.5365 1.9027 1.9028 2.4982 2.5010 3.2978 3.3017 3.7671 3.7683 4.1993 4.2016 4.4975 4.4988 5.2438 5.2447 6.0341 6.0341 6.7484 6.7488 7.2537 7.2538 8.9507 8.9510 15.8704 15.8706 16.2921 16.2924 17.4222 17.4233 k = 0.3810 0.4896 0.1585 ( 1696 PWs) bands (ev): -5.1719 -5.1718 -5.1329 -5.1327 -1.7224 -1.7224 1.4894 1.4902 1.4903 1.4916 2.0373 2.0373 2.5035 2.5062 3.3230 3.3270 3.7434 3.7441 4.1711 4.1733 4.4841 4.4858 5.2694 5.2705 6.0672 6.0673 6.8188 6.8192 7.3020 7.3022 9.0703 9.0706 15.8528 15.8530 16.2874 16.2876 17.4330 17.4341 k = 0.3730 0.4896 0.1585 ( 1700 PWs) bands (ev): -5.2139 -5.2138 -5.1759 -5.1758 -1.8220 -1.8220 1.4367 1.4373 1.4710 1.4723 2.1716 2.1717 2.5110 2.5134 3.3587 3.3628 3.7247 3.7249 4.1407 4.1428 4.4699 4.4720 5.2992 5.3005 6.0994 6.0994 6.8880 6.8884 7.3549 7.3552 9.1929 9.1933 15.8370 15.8372 16.2877 16.2880 17.4498 17.4510 k = 0.3651 0.4896 0.1585 ( 1700 PWs) bands (ev): -5.2571 -5.2570 -5.2203 -5.2201 -1.9196 -1.9195 1.3780 1.3785 1.4456 1.4469 2.3041 2.3042 2.5174 2.5196 3.4045 3.4087 3.7134 3.7138 4.1103 4.1124 4.4545 4.4569 5.3319 5.3333 6.1311 6.1311 6.9560 6.9564 7.4115 7.4117 9.3185 9.3189 15.8234 15.8237 16.2936 16.2938 17.4726 17.4737 k = 0.3571 0.4896 0.1585 ( 1704 PWs) bands (ev): -5.3015 -5.3014 -5.2657 -5.2656 -2.0152 -2.0152 1.3151 1.3155 1.4144 1.4156 2.4332 2.4333 2.5197 2.5216 3.4597 3.4639 3.7118 3.7127 4.0824 4.0845 4.4376 4.4404 5.3664 5.3680 6.1626 6.1627 7.0226 7.0231 7.4704 7.4708 9.4472 9.4476 15.8126 15.8128 16.3051 16.3053 17.5011 17.5022 k = 0.3492 0.4896 0.1585 ( 1704 PWs) bands (ev): -5.3467 -5.3466 -5.3121 -5.3120 -2.1089 -2.1089 1.2491 1.2494 1.3783 1.3794 2.5156 2.5172 2.5572 2.5572 3.5233 3.5276 3.7211 3.7227 4.0596 4.0618 4.4198 4.4229 5.4021 5.4037 6.1941 6.1943 7.0877 7.0882 7.5309 7.5313 9.5788 9.5792 15.8047 15.8049 16.3225 16.3227 17.5352 17.5364 k = 0.3413 0.4896 0.1585 ( 1700 PWs) bands (ev): -5.3927 -5.3926 -5.3592 -5.3591 -2.2006 -2.2006 1.1810 1.1813 1.3379 1.3389 2.5038 2.5051 2.6735 2.6736 3.5940 3.5985 3.7414 3.7437 4.0452 4.0475 4.4020 4.4055 5.4383 5.4400 6.2257 6.2260 7.1511 7.1516 7.5921 7.5925 9.7134 9.7138 15.8001 15.8003 16.3461 16.3462 17.5747 17.5759 k = 0.3333 0.4896 0.1585 ( 1700 PWs) bands (ev): -5.4393 -5.4392 -5.4069 -5.4068 -2.2903 -2.2903 1.1116 1.1118 1.2938 1.2949 2.4838 2.4848 2.7791 2.7792 3.6703 3.6750 3.7713 3.7743 4.0434 4.0459 4.3856 4.3896 5.4745 5.4763 6.2573 6.2576 7.2128 7.2133 7.6531 7.6536 9.8511 9.8515 15.7991 15.7993 16.3759 16.3760 17.6195 17.6206 k = 0.3254 0.4896 0.1585 ( 1700 PWs) bands (ev): -5.4862 -5.4861 -5.4550 -5.4549 -2.3780 -2.3780 1.0414 1.0415 1.2469 1.2478 2.4558 2.4566 2.8704 2.8706 3.7509 3.7558 3.8080 3.8117 4.0588 4.0615 4.3732 4.3776 5.5104 5.5123 6.2887 6.2891 7.2725 7.2730 7.7135 7.7140 9.9917 9.9921 15.8019 15.8021 16.4120 16.4121 17.6693 17.6705 k = 0.3175 0.4896 0.1585 ( 1700 PWs) bands (ev): -5.5335 -5.5334 -5.5034 -5.5033 -2.4637 -2.4636 0.9708 0.9709 1.1976 1.1985 2.4210 2.4216 2.9437 2.9439 3.8347 3.8398 3.8469 3.8512 4.0955 4.0983 4.3685 4.3734 5.5458 5.5478 6.3198 6.3204 7.3302 7.3307 7.7727 7.7732 10.1354 10.1357 15.8087 15.8089 16.4546 16.4547 17.7241 17.7253 k = 0.3095 0.4896 0.1585 ( 1708 PWs) bands (ev): -5.5809 -5.5808 -5.5519 -5.5518 -2.5473 -2.5473 0.9003 0.9004 1.1465 1.1473 2.3803 2.3807 2.9964 2.9965 3.8818 3.8865 3.9225 3.9275 4.1551 4.1579 4.3765 4.3816 5.5807 5.5828 6.3504 6.3511 7.3857 7.3862 7.8302 7.8307 10.2820 10.2823 15.8196 15.8198 16.5037 16.5037 17.7836 17.7848 k = 0.3016 0.4896 0.1585 ( 1708 PWs) bands (ev): -5.6283 -5.6282 -5.6004 -5.6003 -2.6290 -2.6289 0.8302 0.8302 1.0940 1.0948 2.3350 2.3353 3.0280 3.0282 3.9065 3.9113 4.0160 4.0208 4.2355 4.2380 4.4027 4.4077 5.6150 5.6171 6.3804 6.3812 7.4391 7.4396 7.8857 7.8863 10.4315 10.4319 15.8348 15.8349 16.5592 16.5593 17.8478 17.8489 k = 0.2937 0.4896 0.1585 ( 1704 PWs) bands (ev): -5.6756 -5.6755 -5.6488 -5.6487 -2.7085 -2.7085 0.7607 0.7607 1.0406 1.0413 2.2862 2.2864 3.0406 3.0408 3.9170 3.9214 4.1171 4.1217 4.3319 4.3343 4.4499 4.4545 5.6487 5.6509 6.4096 6.4105 7.4902 7.4907 7.9389 7.9395 10.5839 10.5843 15.8543 15.8544 16.6213 16.6213 17.9163 17.9174 k = 0.2857 0.4896 0.1585 ( 1704 PWs) bands (ev): -5.7226 -5.7225 -5.6970 -5.6968 -2.7861 -2.7861 0.6920 0.6920 0.9867 0.9873 2.2348 2.2350 3.0378 3.0379 3.9132 3.9171 4.2259 4.2303 4.4401 4.4422 4.5173 4.5211 5.6821 5.6844 6.4379 6.4389 7.5389 7.5394 7.9896 7.9903 10.7392 10.7396 15.8781 15.8782 16.6898 16.6898 17.9891 17.9902 k = 0.2778 0.4896 0.1585 ( 1700 PWs) bands (ev): -5.7693 -5.7692 -5.7447 -5.7446 -2.8616 -2.8615 0.6243 0.6243 0.9325 0.9331 2.1816 2.1817 3.0231 3.0233 3.8981 3.9014 4.3412 4.3455 4.5566 4.5587 4.6009 4.6040 5.7155 5.7178 6.4651 6.4662 7.5852 7.5857 8.0377 8.0384 10.8972 10.8976 15.9063 15.9064 16.7645 16.7646 18.0659 18.0670 k = 0.2698 0.4896 0.1585 ( 1700 PWs) bands (ev): -5.8156 -5.8155 -5.7921 -5.7919 -2.9350 -2.9350 0.5577 0.5577 0.8783 0.8788 2.1273 2.1274 2.9999 3.0000 3.8749 3.8776 4.4613 4.4656 4.6791 4.6811 4.6967 4.6991 5.7492 5.7516 6.4912 6.4924 7.6291 7.6296 8.0830 8.0837 11.0579 11.0583 15.9387 15.9388 16.8455 16.8456 18.1467 18.1477 k = 0.2619 0.4896 0.1585 ( 1700 PWs) bands (ev): -5.8613 -5.8612 -5.8388 -5.8387 -3.0064 -3.0063 0.4923 0.4924 0.8243 0.8248 2.0724 2.0724 2.9706 2.9708 3.8463 3.8486 4.5845 4.5888 4.8014 4.8032 4.8057 4.8078 5.7840 5.7864 6.5161 6.5175 7.6705 7.6711 8.1255 8.1262 11.2212 11.2215 15.9754 15.9754 16.9326 16.9327 18.2311 18.2321 k = 0.2540 0.4896 0.1585 ( 1700 PWs) bands (ev): -5.9064 -5.9063 -5.8849 -5.8848 -3.0756 -3.0756 0.4283 0.4284 0.7708 0.7713 2.0173 2.0173 2.9372 2.9374 3.8142 3.8161 4.7091 4.7135 4.9127 4.9141 4.9347 4.9369 5.8207 5.8232 6.5398 6.5413 7.7095 7.7101 8.1651 8.1658 11.3869 11.3872 16.0161 16.0162 17.0255 17.0256 18.3190 18.3200 k = 0.2460 0.4896 0.1585 ( 1700 PWs) bands (ev): -5.9508 -5.9507 -5.9303 -5.9302 -3.1429 -3.1428 0.3658 0.3659 0.7180 0.7184 1.9623 1.9623 2.9011 2.9012 3.7798 3.7815 4.8338 4.8384 5.0289 5.0299 5.0646 5.0670 5.8606 5.8631 6.5624 6.5640 7.7461 7.7466 8.2019 8.2026 11.5549 11.5552 16.0608 16.0608 17.1242 17.1244 18.4102 18.4111 k = 0.2381 0.4896 0.1585 ( 1692 PWs) bands (ev): -5.9944 -5.9943 -5.9748 -5.9747 -3.2080 -3.2080 0.3048 0.3049 0.6659 0.6663 1.9078 1.9079 2.8632 2.8633 3.7442 3.7456 4.9569 4.9617 5.1489 5.1494 5.1940 5.1965 5.9055 5.9080 6.5838 6.5856 7.7802 7.7808 8.2358 8.2365 11.7251 11.7254 16.1093 16.1093 17.2284 17.2286 18.5045 18.5054 k = 0.2302 0.4896 0.1585 ( 1688 PWs) bands (ev): -6.0371 -6.0370 -6.0185 -6.0184 -3.2710 -3.2710 0.2454 0.2455 0.6147 0.6150 1.8541 1.8541 2.8242 2.8244 3.7078 3.7090 5.0765 5.0815 5.2714 5.2716 5.3212 5.3241 5.9576 5.9600 6.6041 6.6061 7.8120 7.8126 8.2670 8.2677 11.8972 11.8976 16.1613 16.1614 17.3378 17.3380 18.6017 18.6025 k = 0.2222 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.0788 -6.0788 -6.0612 -6.0611 -3.3320 -3.3319 0.1876 0.1877 0.5645 0.5649 1.8012 1.8012 2.7848 2.7849 3.6711 3.6721 5.1900 5.1951 5.3955 5.3957 5.4454 5.4486 6.0196 6.0218 6.6234 6.6256 7.8415 7.8420 8.2955 8.2962 12.0712 12.0715 16.2167 16.2167 17.4522 17.4525 18.7014 18.7022 k = 0.2143 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.1196 -6.1195 -6.1029 -6.1028 -3.3908 -3.3908 0.1315 0.1316 0.5155 0.5158 1.7494 1.7494 2.7453 2.7455 3.6344 3.6353 5.2941 5.2992 5.5205 5.5210 5.5665 5.5699 6.0941 6.0961 6.6420 6.6443 7.8686 7.8692 8.3214 8.3222 12.2468 12.2471 16.2751 16.2752 17.5714 17.5716 18.8035 18.8043 k = 0.2063 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.1593 -6.1593 -6.1435 -6.1433 -3.4475 -3.4475 0.0772 0.0773 0.4678 0.4681 1.6987 1.6988 2.7061 2.7062 3.5981 3.5989 5.3855 5.3903 5.6458 5.6467 5.6858 5.6893 6.1824 6.1841 6.6599 6.6625 7.8937 7.8942 8.3449 8.3457 12.4238 12.4241 16.3363 16.3364 17.6949 17.6952 18.9078 18.9085 k = 0.1984 0.4896 0.1585 ( 1688 PWs) bands (ev): -6.1979 -6.1978 -6.1829 -6.1828 -3.5022 -3.5021 0.0247 0.0248 0.4213 0.4216 1.6495 1.6495 2.6674 2.6675 3.5624 3.5631 5.4620 5.4663 5.7706 5.7719 5.8054 5.8086 6.2840 6.2854 6.6775 6.6805 7.9166 7.9172 8.3661 8.3669 12.6019 12.6023 16.4000 16.4001 17.8225 17.8229 19.0139 19.0146 k = 0.1905 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.2354 -6.2353 -6.2211 -6.2210 -3.5547 -3.5547 -0.0260 -0.0259 0.3763 0.3765 1.6016 1.6016 2.6295 2.6296 3.5272 3.5279 5.5235 5.5271 5.8940 5.8957 5.9265 5.9293 6.3969 6.3981 6.6954 6.6987 7.9375 7.9381 8.3851 8.3859 12.7810 12.7813 16.4658 16.4659 17.9539 17.9543 19.1216 19.1222 k = 0.1825 0.4896 0.1585 ( 1696 PWs) bands (ev): -6.2716 -6.2715 -6.2582 -6.2581 -3.6051 -3.6051 -0.0748 -0.0747 0.3327 0.3329 1.5553 1.5553 2.5924 2.5925 3.4930 3.4935 5.5718 5.5748 6.0150 6.0172 6.0495 6.0518 6.5182 6.5192 6.7140 6.7178 7.9564 7.9571 8.4021 8.4028 12.9608 12.9611 16.5334 16.5335 18.0888 18.0892 19.2305 19.2310 k = 0.1746 0.4896 0.1585 ( 1688 PWs) bands (ev): -6.3065 -6.3065 -6.2939 -6.2938 -3.6534 -3.6534 -0.1217 -0.1216 0.2906 0.2908 1.5106 1.5106 2.5563 2.5564 3.4596 3.4601 5.6096 5.6120 6.1322 6.1350 6.1738 6.1757 6.6451 6.6460 6.7347 6.7391 7.9736 7.9743 8.4171 8.4179 13.1409 13.1412 16.6024 16.6026 18.2267 18.2271 19.3404 19.3409 k = 0.1667 0.4896 0.1585 ( 1688 PWs) bands (ev): -6.3402 -6.3401 -6.3283 -6.3282 -3.6995 -3.6995 -0.1667 -0.1666 0.2501 0.2503 1.4675 1.4675 2.5214 2.5215 3.4274 3.4278 5.6393 5.6412 6.2433 6.2469 6.2985 6.3000 6.7589 6.7640 6.7753 6.7762 7.9891 7.9898 8.4303 8.4311 13.3211 13.3213 16.6724 16.6726 18.3672 18.3677 19.4509 19.4513 k = 0.1587 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.3725 -6.3725 -6.3613 -6.3612 -3.7436 -3.7436 -0.2097 -0.2097 0.2112 0.2114 1.4261 1.4262 2.4877 2.4878 3.3962 3.3966 5.6628 5.6644 6.3453 6.3497 6.4227 6.4240 6.7896 6.7954 6.9070 6.9078 8.0029 8.0036 8.4420 8.4427 13.5009 13.5012 16.7431 16.7433 18.5100 18.5106 19.5616 19.5619 k = 0.1508 0.4896 0.1585 ( 1688 PWs) bands (ev): -6.4035 -6.4034 -6.3929 -6.3928 -3.7855 -3.7855 -0.2508 -0.2507 0.1741 0.1742 1.3865 1.3866 2.4554 2.4554 3.3663 3.3666 5.6818 5.6831 6.4343 6.4394 6.5458 6.5468 6.8306 6.8371 7.0388 7.0396 8.0153 8.0160 8.4521 8.4528 13.6801 13.6804 16.8140 16.8142 18.6546 18.6552 19.6720 19.6723 k = 0.1429 0.4896 0.1585 ( 1688 PWs) bands (ev): -6.4330 -6.4329 -6.4230 -6.4230 -3.8252 -3.8252 -0.2899 -0.2898 0.1386 0.1387 1.3488 1.3488 2.4243 2.4244 3.3376 3.3379 5.6971 5.6981 6.5062 6.5115 6.6670 6.6679 6.8858 6.8925 7.1695 7.1702 8.0263 8.0271 8.4608 8.4616 13.8581 13.8584 16.8847 16.8849 18.8005 18.8012 19.7818 19.7819 k = 0.1349 0.4896 0.1585 ( 1688 PWs) bands (ev): -6.4611 -6.4610 -6.4517 -6.4517 -3.8629 -3.8629 -0.3269 -0.3268 0.1048 0.1050 1.3129 1.3129 2.3948 2.3948 3.3102 3.3105 5.7096 5.7105 6.5596 6.5647 6.7859 6.7866 6.9563 6.9627 7.2981 7.2989 8.0360 8.0368 8.4683 8.4691 14.0346 14.0349 16.9547 16.9549 18.9473 18.9480 19.8819 19.8822 k = 0.1270 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.4877 -6.4877 -6.4789 -6.4789 -3.8984 -3.8984 -0.3619 -0.3618 0.0729 0.0730 1.2789 1.2789 2.3667 2.3667 3.2842 3.2844 5.7199 5.7206 6.5973 6.6017 6.9017 6.9023 7.0389 7.0447 7.4239 7.4248 8.0445 8.0454 8.4747 8.4755 14.2089 14.2092 17.0236 17.0239 19.0943 19.0951 19.9469 19.9474 k = 0.1190 0.4896 0.1585 ( 1696 PWs) bands (ev): -6.5128 -6.5128 -6.5046 -6.5045 -3.9317 -3.9317 -0.3949 -0.3948 0.0427 0.0428 1.2468 1.2469 2.3401 2.3402 3.2595 3.2598 5.7284 5.7289 6.6235 6.6273 7.0140 7.0145 7.1286 7.1337 7.5461 7.5471 8.0520 8.0530 8.4800 8.4808 14.3806 14.3809 17.0910 17.0913 19.2409 19.2418 20.0055 20.0060 k = 0.1111 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.5365 -6.5364 -6.5287 -6.5286 -3.9630 -3.9629 -0.4257 -0.4257 0.0144 0.0145 1.2167 1.2167 2.3151 2.3152 3.2364 3.2366 5.7354 5.7358 6.6422 6.6454 7.1223 7.1227 7.2211 7.2255 7.6639 7.6651 8.0586 8.0598 8.4845 8.4853 14.5490 14.5492 17.1565 17.1568 19.3863 19.3872 20.0569 20.0574 k = 0.1032 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.5585 -6.5585 -6.5513 -6.5512 -3.9920 -3.9920 -0.4546 -0.4545 -0.0120 -0.0119 1.1886 1.1886 2.2917 2.2918 3.2147 3.2149 5.7412 5.7416 6.6559 6.6585 7.2261 7.2265 7.3133 7.3171 7.7765 7.7779 8.0646 8.0661 8.4882 8.4889 14.7133 14.7135 17.2196 17.2198 19.5293 19.5303 20.1005 20.1011 k = 0.0952 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.5790 -6.5790 -6.5722 -6.5722 -4.0190 -4.0189 -0.4813 -0.4812 -0.0366 -0.0365 1.1625 1.1625 2.2700 2.2700 3.1945 3.1947 5.7459 5.7463 6.6662 6.6684 7.3250 7.3253 7.4032 7.4065 7.8825 7.8844 8.0706 8.0727 8.4911 8.4919 14.8727 14.8730 17.2799 17.2801 19.6683 19.6693 20.1366 20.1371 k = 0.0873 0.4896 0.1585 ( 1696 PWs) bands (ev): -6.5980 -6.5979 -6.5916 -6.5915 -4.0437 -4.0437 -0.5059 -0.5059 -0.0593 -0.0592 1.1384 1.1384 2.2499 2.2499 3.1759 3.1760 5.7499 5.7502 6.6741 6.6759 7.4184 7.4187 7.4894 7.4923 7.9782 7.9815 8.0792 8.0827 8.4935 8.4942 15.0264 15.0266 17.3369 17.3372 19.8003 19.8013 20.1669 20.1673 k = 0.0794 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.6153 -6.6153 -6.6093 -6.6092 -4.0664 -4.0664 -0.5284 -0.5284 -0.0801 -0.0800 1.1163 1.1163 2.2314 2.2315 3.1588 3.1589 5.7531 5.7534 6.6803 6.6819 7.5060 7.5063 7.5709 7.5736 8.0442 8.0485 8.1105 8.1151 8.4953 8.4960 15.1733 15.1735 17.3904 17.3906 19.9188 19.9196 20.1973 20.1975 k = 0.0714 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.6311 -6.6310 -6.6253 -6.6253 -4.0868 -4.0868 -0.5488 -0.5488 -0.0989 -0.0988 1.0963 1.0963 2.2147 2.2147 3.1433 3.1434 5.7558 5.7560 6.6852 6.6865 7.5873 7.5876 7.6469 7.6492 8.0631 8.0651 8.1844 8.1866 8.4966 8.4973 15.3124 15.3125 17.4399 17.4401 20.0091 20.0094 20.2416 20.2421 k = 0.0635 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.6452 -6.6451 -6.6397 -6.6397 -4.1052 -4.1052 -0.5671 -0.5670 -0.1158 -0.1157 1.0784 1.0784 2.1997 2.1997 3.1293 3.1294 5.7579 5.7581 6.6891 6.6902 7.6619 7.6622 7.7167 7.7188 8.0682 8.0692 8.2621 8.2633 8.4975 8.4982 15.4423 15.4425 17.4851 17.4853 20.0556 20.0558 20.3153 20.3164 k = 0.0556 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.6577 -6.6576 -6.6525 -6.6525 -4.1213 -4.1213 -0.5832 -0.5832 -0.1307 -0.1306 1.0625 1.0625 2.1864 2.1865 3.1170 3.1171 5.7597 5.7598 6.6922 6.6931 7.7296 7.7299 7.7797 7.7815 8.0698 8.0704 8.3337 8.3345 8.4981 8.4987 15.5618 15.5620 17.5257 17.5258 20.0667 20.0671 20.4102 20.4117 k = 0.0476 0.4896 0.1585 ( 1692 PWs) bands (ev): -6.6685 -6.6685 -6.6636 -6.6635 -4.1354 -4.1354 -0.5972 -0.5972 -0.1436 -0.1436 1.0488 1.0488 2.1749 2.1749 3.1063 3.1064 5.7610 5.7611 6.6946 6.6954 7.7901 7.7903 7.8354 7.8370 8.0697 8.0700 8.3973 8.3979 8.4984 8.4990 15.6695 15.6696 17.5614 17.5615 20.0601 20.0606 20.5090 20.5107 k = 0.0397 0.4896 0.1585 ( 1688 PWs) bands (ev): -6.6777 -6.6777 -6.6729 -6.6729 -4.1472 -4.1472 -0.6090 -0.6090 -0.1546 -0.1546 1.0371 1.0371 2.1651 2.1652 3.0972 3.0973 5.7621 5.7622 6.6966 6.6972 7.8432 7.8434 7.8835 7.8849 8.0681 8.0682 8.4521 8.4525 8.4986 8.4991 15.7640 15.7641 17.5920 17.5921 20.0457 20.0462 20.6014 20.6031 k = 0.0317 0.4896 0.1585 ( 1684 PWs) bands (ev): -6.6852 -6.6852 -6.6806 -6.6806 -4.1569 -4.1569 -0.6187 -0.6187 -0.1636 -0.1635 1.0276 1.0276 2.1571 2.1571 3.0898 3.0898 5.7630 5.7630 6.6981 6.6986 7.8887 7.8889 7.9234 7.9245 8.0650 8.0650 8.4960 8.4964 8.5002 8.5006 15.8437 15.8438 17.6172 17.6173 20.0288 20.0291 20.5913 20.5928 k = 0.0238 0.4896 0.1585 ( 1680 PWs) bands (ev): -6.6910 -6.6910 -6.6866 -6.6866 -4.1645 -4.1645 -0.6263 -0.6263 -0.1706 -0.1705 1.0201 1.0201 2.1509 2.1509 3.0840 3.0840 5.7636 5.7636 6.6992 6.6996 7.9265 7.9268 7.9550 7.9558 8.0603 8.0604 8.4983 8.4987 8.5336 8.5338 15.9074 15.9075 17.6371 17.6371 20.0125 20.0128 20.5650 20.5661 k = 0.0159 0.4896 0.1585 ( 1680 PWs) bands (ev): -6.6952 -6.6952 -6.6909 -6.6909 -4.1699 -4.1699 -0.6317 -0.6317 -0.1756 -0.1756 1.0148 1.0148 2.1464 2.1465 3.0798 3.0799 5.7640 5.7640 6.7000 6.7002 7.9563 7.9565 7.9776 7.9782 8.0544 8.0545 8.4983 8.4985 8.5594 8.5595 15.9539 15.9540 17.6513 17.6513 19.9993 19.9995 20.5438 20.5445 k = 0.0079 0.4896 0.1585 ( 1684 PWs) bands (ev): -6.6977 -6.6977 -6.6934 -6.6934 -4.1731 -4.1731 -0.6349 -0.6349 -0.1786 -0.1786 1.0116 1.0116 2.1438 2.1438 3.0774 3.0774 5.7642 5.7643 6.7005 6.7006 7.9768 7.9769 7.9914 7.9916 8.0483 8.0484 8.4982 8.4984 8.5749 8.5749 15.9822 15.9822 17.6598 17.6599 19.9908 19.9909 20.5303 20.5306 k = 0.0000 0.4896 0.1585 ( 1684 PWs) bands (ev): -6.6986 -6.6986 -6.6943 -6.6943 -4.1742 -4.1742 -0.6360 -0.6360 -0.1796 -0.1796 1.0106 1.0106 2.1429 2.1429 3.0765 3.0765 5.7643 5.7643 6.7006 6.7006 7.9847 7.9847 7.9961 7.9961 8.0453 8.0453 8.4983 8.4983 8.5801 8.5801 15.9917 15.9917 17.6627 17.6627 19.9879 19.9879 20.5258 20.5258 k = 0.0000 0.4896 0.1585 ( 1684 PWs) bands (ev): -6.6986 -6.6986 -6.6943 -6.6943 -4.1742 -4.1742 -0.6360 -0.6360 -0.1796 -0.1796 1.0106 1.0106 2.1429 2.1429 3.0765 3.0765 5.7643 5.7643 6.7006 6.7006 7.9847 7.9847 7.9961 7.9961 8.0453 8.0453 8.4983 8.4983 8.5801 8.5801 15.9917 15.9917 17.6627 17.6627 19.9879 19.9879 20.5258 20.5258 k = 0.0000 0.4818 0.1585 ( 1688 PWs) bands (ev): -6.7554 -6.7553 -6.6409 -6.6408 -4.1767 -4.1767 -0.6326 -0.6326 -0.1789 -0.1788 1.0176 1.0176 2.1273 2.1274 3.0934 3.0935 5.7618 5.7619 6.6958 6.6959 7.9547 7.9547 8.0240 8.0241 8.0493 8.0493 8.5033 8.5034 8.5801 8.5801 15.9916 15.9916 17.6621 17.6621 19.9812 19.9812 20.5218 20.5221 k = 0.0000 0.4739 0.1585 ( 1688 PWs) bands (ev): -6.8172 -6.8171 -6.5890 -6.5889 -4.1842 -4.1842 -0.6224 -0.6224 -0.1763 -0.1762 1.0384 1.0384 2.0837 2.0839 3.1411 3.1413 5.7545 5.7546 6.6815 6.6819 7.9180 7.9180 8.0545 8.0549 8.0611 8.0614 8.5185 8.5185 8.5800 8.5800 15.9911 15.9911 17.6602 17.6603 19.9618 19.9619 20.5094 20.5100 k = 0.0000 0.4660 0.1585 ( 1688 PWs) bands (ev): -6.8817 -6.8816 -6.5411 -6.5410 -4.1966 -4.1966 -0.6062 -0.6062 -0.1708 -0.1706 1.0724 1.0725 2.0190 2.0192 3.2128 3.2132 5.7424 5.7426 6.6586 6.6591 7.8796 7.8796 8.0788 8.0797 8.0840 8.0847 8.5432 8.5433 8.5801 8.5801 15.9903 15.9903 17.6571 17.6573 19.9313 19.9314 20.4883 20.4891 k = 0.0000 0.4581 0.1585 ( 1684 PWs) bands (ev): -6.9485 -6.9485 -6.4974 -6.4973 -4.2136 -4.2135 -0.5849 -0.5849 -0.1609 -0.1607 1.1187 1.1189 1.9399 1.9402 3.3017 3.3021 5.7259 5.7261 6.6278 6.6285 7.8397 7.8398 8.1043 8.1055 8.1101 8.1110 8.5760 8.5764 8.5811 8.5815 15.9892 15.9892 17.6530 17.6532 19.8917 19.8918 20.4595 20.4604 k = 0.0000 0.4502 0.1585 ( 1684 PWs) bands (ev): -7.0174 -7.0173 -6.4584 -6.4582 -4.2348 -4.2348 -0.5597 -0.5597 -0.1446 -0.1444 1.1764 1.1765 1.8518 1.8521 3.4024 3.4028 5.7052 5.7055 6.5904 6.5911 7.7986 7.7986 8.1321 8.1332 8.1375 8.1384 8.5805 8.5806 8.6197 8.6197 15.9877 15.9877 17.6479 17.6482 19.8449 19.8450 20.4248 20.4258 k = 0.0000 0.4423 0.1585 ( 1676 PWs) bands (ev): -7.0880 -7.0879 -6.4241 -6.4240 -4.2599 -4.2599 -0.5321 -0.5320 -0.1200 -0.1198 1.2441 1.2442 1.7584 1.7586 3.5112 3.5117 5.6808 5.6811 6.5474 6.5483 7.7564 7.7564 8.1532 8.1535 8.1746 8.1747 8.5817 8.5818 8.6694 8.6695 15.9858 15.9858 17.6421 17.6423 19.7926 19.7927 20.3859 20.3869 k = 0.0000 0.4344 0.1585 ( 1680 PWs) bands (ev): -7.1601 -7.1600 -6.3950 -6.3949 -4.2885 -4.2885 -0.5031 -0.5031 -0.0854 -0.0852 1.3206 1.3207 1.6621 1.6623 3.6258 3.6264 5.6531 5.6534 6.5000 6.5010 7.7131 7.7131 8.1702 8.1703 8.2166 8.2167 8.5836 8.5836 8.7257 8.7259 15.9835 15.9835 17.6355 17.6358 19.7360 19.7361 20.3437 20.3447 k = 0.0000 0.4265 0.1585 ( 1684 PWs) bands (ev): -7.2333 -7.2333 -6.3711 -6.3710 -4.3203 -4.3202 -0.4736 -0.4735 -0.0398 -0.0396 1.4033 1.4035 1.5661 1.5662 3.7446 3.7452 5.6224 5.6228 6.4492 6.4502 7.6689 7.6689 8.1834 8.1835 8.2629 8.2631 8.5865 8.5865 8.7878 8.7880 15.9808 15.9808 17.6285 17.6289 19.6762 19.6764 20.2990 20.3000 k = 0.0000 0.4186 0.1585 ( 1684 PWs) bands (ev): -7.3076 -7.3075 -6.3526 -6.3525 -4.3546 -4.3546 -0.4434 -0.4432 0.0171 0.0173 1.4460 1.4476 1.5155 1.5170 3.8663 3.8669 5.5896 5.5899 6.3960 6.3971 7.6238 7.6238 8.1928 8.1929 8.3131 8.3133 8.5904 8.5905 8.8548 8.8551 15.9775 15.9775 17.6213 17.6217 19.6140 19.6141 20.2526 20.2535 k = 0.0000 0.4107 0.1585 ( 1680 PWs) bands (ev): -7.3826 -7.3825 -6.3396 -6.3394 -4.3913 -4.3913 -0.4119 -0.4117 0.0846 0.0847 1.3585 1.3594 1.6039 1.6046 3.9899 3.9906 5.5550 5.5553 6.3413 6.3424 7.5781 7.5781 8.1984 8.1985 8.3667 8.3669 8.5956 8.5956 8.9260 8.9263 15.9736 15.9736 17.6141 17.6145 19.5499 19.5501 20.2047 20.2056 k = 0.0000 0.4028 0.1585 ( 1680 PWs) bands (ev): -7.4581 -7.4581 -6.3320 -6.3319 -4.4300 -4.4299 -0.3782 -0.3780 0.1616 0.1617 1.2616 1.2623 1.7078 1.7083 4.1146 4.1154 5.5193 5.5197 6.2857 6.2869 7.5318 7.5318 8.2002 8.2002 8.4234 8.4235 8.6019 8.6019 9.0007 9.0009 15.9692 15.9692 17.6072 17.6076 19.4843 19.4845 20.1558 20.1567 k = 0.0000 0.3949 0.1585 ( 1680 PWs) bands (ev): -7.5339 -7.5339 -6.3298 -6.3297 -4.4703 -4.4702 -0.3414 -0.3412 0.2468 0.2469 1.1650 1.1657 1.8178 1.8183 4.2395 4.2404 5.4833 5.4836 6.2301 6.2313 7.4850 7.4850 8.1983 8.1983 8.4827 8.4827 8.6093 8.6093 9.0781 9.0784 15.9641 15.9641 17.6007 17.6012 19.4176 19.4179 20.1061 20.1070 k = 0.0000 0.3870 0.1585 ( 1680 PWs) bands (ev): -7.6099 -7.6099 -6.3329 -6.3328 -4.5119 -4.5119 -0.3005 -0.3003 0.3387 0.3388 1.0702 1.0709 1.9328 1.9333 4.3635 4.3645 5.4479 5.4481 6.1750 6.1763 7.4378 7.4378 8.1930 8.1930 8.5443 8.5443 8.6175 8.6175 9.1580 9.1583 15.9583 15.9583 17.5950 17.5954 19.3501 19.3504 20.0560 20.0568 k = 0.0000 0.3791 0.1585 ( 1676 PWs) bands (ev): -7.6859 -7.6859 -6.3411 -6.3410 -4.5548 -4.5547 -0.2550 -0.2548 0.4351 0.4352 0.9787 0.9795 2.0522 2.0527 4.4852 4.4864 5.4143 5.4145 6.1213 6.1226 7.3902 7.3902 8.1846 8.1846 8.6075 8.6076 8.6267 8.6268 9.2397 9.2400 15.9517 15.9517 17.5902 17.5907 19.2819 19.2822 20.0055 20.0063 k = 0.0000 0.3712 0.1585 ( 1676 PWs) bands (ev): -7.7617 -7.7617 -6.3541 -6.3540 -4.5986 -4.5985 -0.2046 -0.2044 0.5317 0.5319 0.8942 0.8953 2.1754 2.1759 4.6025 4.6037 5.3845 5.3846 6.0697 6.0711 7.3424 7.3424 8.1734 8.1734 8.6349 8.6349 8.6740 8.6740 9.3228 9.3232 15.9443 15.9443 17.5866 17.5871 19.2131 19.2134 19.9549 19.9557 k = 0.0000 0.3633 0.1585 ( 1680 PWs) bands (ev): -7.8372 -7.8372 -6.3717 -6.3716 -4.6432 -4.6432 -0.1490 -0.1489 0.6126 0.6129 0.8323 0.8336 2.3019 2.3024 4.7117 4.7132 5.3613 5.3614 6.0214 6.0228 7.2945 7.2945 8.1597 8.1597 8.6443 8.6443 8.7408 8.7409 9.4071 9.4074 15.9362 15.9362 17.5844 17.5849 19.1439 19.1442 19.9044 19.9052 k = 0.0000 0.3554 0.1585 ( 1680 PWs) bands (ev): -7.9123 -7.9123 -6.3935 -6.3933 -4.6886 -4.6885 -0.0885 -0.0885 0.6241 0.6242 0.8468 0.8479 2.4314 2.4319 4.8073 4.8090 5.3493 5.3496 5.9777 5.9791 7.2464 7.2464 8.1438 8.1438 8.6534 8.6534 8.8091 8.8092 9.4921 9.4925 15.9271 15.9271 17.5838 17.5843 19.0743 19.0746 19.8540 19.8548 k = 0.0000 0.3475 0.1585 ( 1682 PWs) bands (ev): -7.9868 -7.9868 -6.4191 -6.4190 -4.7345 -4.7344 -0.0237 -0.0237 0.5664 0.5668 0.9370 0.9377 2.5634 2.5639 4.8813 4.8833 5.3548 5.3553 5.9410 5.9425 7.1984 7.1984 8.1260 8.1260 8.6622 8.6622 8.8785 8.8786 9.5778 9.5781 15.9172 15.9172 17.5850 17.5855 19.0044 19.0047 19.8039 19.8046 k = 0.0000 0.3396 0.1585 ( 1686 PWs) bands (ev): -8.0606 -8.0606 -6.4483 -6.4481 -4.7809 -4.7808 0.0438 0.0441 0.4931 0.4939 1.0503 1.0509 2.6973 2.6979 4.9268 4.9289 5.3816 5.3822 5.9153 5.9167 7.1504 7.1504 8.1065 8.1065 8.6705 8.6705 8.9487 8.9488 9.6637 9.6641 15.9064 15.9064 17.5882 17.5887 18.9342 18.9345 19.7542 19.7549 k = 0.0000 0.3317 0.1585 ( 1684 PWs) bands (ev): -8.1336 -8.1336 -6.4805 -6.4804 -4.8277 -4.8276 0.1095 0.1102 0.4232 0.4245 1.1717 1.1722 2.8329 2.8335 4.9447 4.9466 5.4228 5.4234 5.9069 5.9084 7.1026 7.1026 8.0857 8.0857 8.6783 8.6783 9.0195 9.0197 9.7498 9.7502 15.8946 15.8946 17.5936 17.5940 18.8637 18.8641 19.7048 19.7056 k = 0.0000 0.3238 0.1585 ( 1684 PWs) bands (ev): -8.2057 -8.2057 -6.5155 -6.5154 -4.8747 -4.8747 0.1580 0.1594 0.3751 0.3772 1.2973 1.2977 2.9692 2.9699 4.9431 4.9449 5.4622 5.4628 5.9247 5.9260 7.0550 7.0550 8.0635 8.0636 8.6853 8.6854 9.0908 9.0910 9.8360 9.8364 15.8820 15.8820 17.6011 17.6016 18.7931 18.7934 19.6560 19.6567 k = 0.0000 0.3159 0.1585 ( 1680 PWs) bands (ev): -8.2768 -8.2768 -6.5529 -6.5528 -4.9220 -4.9219 0.1542 0.1558 0.3856 0.3879 1.4256 1.4259 3.1058 3.1065 4.9311 4.9328 5.4856 5.4863 5.9744 5.9755 7.0077 7.0077 8.0404 8.0404 8.6917 8.6917 9.1623 9.1625 9.9221 9.9225 15.8684 15.8684 17.6110 17.6114 18.7223 18.7226 19.6077 19.6084 k = 0.0000 0.3080 0.1585 ( 1668 PWs) bands (ev): -8.3469 -8.3469 -6.5923 -6.5922 -4.9694 -4.9694 0.1025 0.1036 0.4507 0.4525 1.5556 1.5559 3.2418 3.2425 4.9149 4.9164 5.4907 5.4914 6.0534 6.0542 6.9608 6.9608 8.0163 8.0163 8.6973 8.6973 9.2339 9.2341 10.0081 10.0085 15.8539 15.8539 17.6233 17.6236 18.6514 18.6517 19.5599 19.5605 k = 0.0000 0.3001 0.1585 ( 1660 PWs) bands (ev): -8.4159 -8.4159 -6.6333 -6.6332 -5.0169 -5.0168 0.0344 0.0351 0.5376 0.5391 1.6865 1.6869 3.3759 3.3767 4.8986 4.9000 5.4832 5.4841 6.1527 6.1532 6.9143 6.9143 7.9916 7.9916 8.7021 8.7021 9.3052 9.3054 10.0939 10.0943 15.8386 15.8386 17.6377 17.6381 18.5804 18.5807 19.5126 19.5132 k = 0.0000 0.2922 0.1585 ( 1658 PWs) bands (ev): -8.4837 -8.4837 -6.6758 -6.6756 -5.0644 -5.0643 -0.0379 -0.0374 0.6341 0.6354 1.8178 1.8181 3.5067 3.5076 4.8854 4.8867 5.4698 5.4708 6.2642 6.2646 6.8683 6.8683 7.9662 7.9662 8.7061 8.7061 9.3760 9.3763 10.1795 10.1799 15.8224 15.8224 17.6543 17.6546 18.5096 18.5098 19.4658 19.4665 k = 0.0000 0.2843 0.1585 ( 1658 PWs) bands (ev): -8.5502 -8.5501 -6.7193 -6.7191 -5.1117 -5.1116 -0.1110 -0.1105 0.7363 0.7376 1.9488 1.9491 3.6324 3.6333 4.8779 4.8791 5.4553 5.4564 6.3827 6.3830 6.8228 6.8228 7.9403 7.9403 8.7092 8.7092 9.4462 9.4465 10.2650 10.2654 15.8055 15.8055 17.6727 17.6729 18.4392 18.4394 19.4195 19.4202 k = 0.0000 0.2764 0.1585 ( 1662 PWs) bands (ev): -8.6153 -8.6153 -6.7635 -6.7634 -5.1587 -5.1586 -0.1834 -0.1830 0.8427 0.8439 2.0788 2.0791 3.7503 3.7513 4.8790 4.8801 5.4427 5.4438 6.5050 6.5052 6.7779 6.7779 7.9140 7.9140 8.7115 8.7115 9.5154 9.5157 10.3504 10.3508 15.7878 15.7878 17.6921 17.6923 18.3697 18.3699 19.3737 19.3744 k = 0.0000 0.2685 0.1585 ( 1662 PWs) bands (ev): -8.6791 -8.6791 -6.8084 -6.8082 -5.2055 -5.2054 -0.2546 -0.2543 0.9522 0.9534 2.2072 2.2075 3.8576 3.8586 4.8915 4.8925 5.4345 5.4357 6.6292 6.6293 6.7337 6.7337 7.8875 7.8875 8.7131 8.7131 9.5835 9.5839 10.4359 10.4363 15.7694 15.7694 17.7118 17.7118 18.3023 18.3023 19.3284 19.3292 k = 0.0000 0.2606 0.1585 ( 1666 PWs) bands (ev): -8.7415 -8.7415 -6.8535 -6.8534 -5.2518 -5.2517 -0.3243 -0.3241 1.0641 1.0653 2.3332 2.3334 3.9511 3.9522 4.9179 4.9188 5.4330 5.4343 6.6902 6.6902 6.7539 6.7539 7.8608 7.8608 8.7139 8.7139 9.6502 9.6506 10.5216 10.5220 15.7504 15.7504 17.7295 17.7296 18.2383 18.2384 19.2836 19.2844 k = 0.0000 0.2527 0.1585 ( 1662 PWs) bands (ev): -8.8023 -8.8023 -6.8987 -6.8986 -5.2976 -5.2975 -0.3923 -0.3921 1.1777 1.1788 2.4561 2.4562 4.0283 4.0295 4.9595 4.9604 5.4408 5.4421 6.6475 6.6475 6.8782 6.8783 7.8340 7.8340 8.7140 8.7140 9.7152 9.7156 10.6077 10.6081 15.7308 15.7308 17.7421 17.7424 18.1810 18.1813 19.2393 19.2400 k = 0.0000 0.2448 0.1585 ( 1662 PWs) bands (ev): -8.8617 -8.8617 -6.9438 -6.9437 -5.3428 -5.3428 -0.4586 -0.4584 1.2923 1.2935 2.5749 2.5750 4.0887 4.0899 5.0149 5.0158 5.4611 5.4625 6.6056 6.6056 7.0013 7.0015 7.8073 7.8073 8.7134 8.7134 9.7782 9.7786 10.6944 10.6948 15.7108 15.7108 17.7442 17.7449 18.1354 18.1360 19.1955 19.1962 k = 0.0000 0.2369 0.1585 ( 1662 PWs) bands (ev): -8.9194 -8.9194 -6.9886 -6.9885 -5.3874 -5.3873 -0.5230 -0.5228 1.4073 1.4085 2.6888 2.6888 4.1335 4.1347 5.0797 5.0806 5.4981 5.4995 6.5646 6.5646 7.1228 7.1230 7.7806 7.7806 8.7122 8.7122 9.8390 9.8394 10.7820 10.7824 15.6903 15.6903 17.7294 17.7304 18.1078 18.1086 19.1521 19.1530 k = 0.0000 0.2290 0.1585 ( 1662 PWs) bands (ev): -8.9756 -8.9756 -7.0330 -7.0329 -5.4312 -5.4311 -0.5854 -0.5853 1.5220 1.5232 2.7969 2.7969 4.1659 4.1671 5.1477 5.1485 5.5560 5.5573 6.5245 6.5245 7.2421 7.2424 7.7542 7.7542 8.7104 8.7105 9.8972 9.8976 10.8706 10.8710 15.6695 15.6695 17.6939 17.6950 18.1016 18.1026 19.1094 19.1103 k = 0.0000 0.2211 0.1585 ( 1666 PWs) bands (ev): -9.0301 -9.0301 -7.0768 -7.0767 -5.4741 -5.4740 -0.6460 -0.6458 1.6357 1.6368 2.8983 2.8984 4.1898 4.1908 5.2138 5.2145 5.6372 5.6384 6.4853 6.4853 7.3588 7.3591 7.7280 7.7280 8.7081 8.7081 9.9526 9.9531 10.9605 10.9608 15.6485 15.6485 17.6397 17.6408 18.1144 18.1155 19.0673 19.0682 k = 0.0000 0.2132 0.1585 ( 1670 PWs) bands (ev): -9.0830 -9.0830 -7.1198 -7.1198 -5.5161 -5.5161 -0.7045 -0.7044 1.7476 1.7487 2.9924 2.9925 4.2084 4.2094 5.2769 5.2774 5.7402 5.7412 6.4472 6.4472 7.4724 7.4728 7.7022 7.7022 8.7053 8.7053 10.0049 10.0054 11.0518 11.0522 15.6273 15.6273 17.5719 17.5730 18.1404 18.1415 19.0260 19.0269 k = 0.0000 0.2053 0.1585 ( 1660 PWs) bands (ev): -9.1341 -9.1341 -7.1621 -7.1620 -5.5571 -5.5571 -0.7610 -0.7609 1.8568 1.8580 3.0784 3.0786 4.2249 4.2258 5.3392 5.3396 5.8607 5.8615 6.4101 6.4101 7.5828 7.5833 7.6767 7.6768 8.7021 8.7021 10.0540 10.0545 11.1449 11.1452 15.6061 15.6061 17.4948 17.4959 18.1746 18.1757 18.9857 18.9866 k = 0.0000 0.1974 0.1585 ( 1660 PWs) bands (ev): -9.1835 -9.1835 -7.2034 -7.2033 -5.5971 -5.5970 -0.8155 -0.8154 1.9627 1.9639 3.1559 3.1562 4.2415 4.2422 5.4036 5.4039 5.9938 5.9945 6.3741 6.3741 7.6516 7.6516 7.6897 7.6903 8.6984 8.6985 10.0995 10.1000 11.2397 11.2400 15.5849 15.5849 17.4112 17.4123 18.2133 18.2144 18.9465 18.9475 k = 0.0000 0.1895 0.1585 ( 1660 PWs) bands (ev): -9.2311 -9.2311 -7.2436 -7.2435 -5.6360 -5.6359 -0.8679 -0.8678 2.0641 2.0654 3.2248 3.2253 4.2599 4.2605 5.4726 5.4727 6.1356 6.1362 6.3392 6.3392 7.6272 7.6272 7.7924 7.7930 8.6945 8.6945 10.1413 10.1418 11.3365 11.3367 15.5637 15.5637 17.3227 17.3237 18.2536 18.2547 18.9088 18.9099 k = 0.0000 0.1816 0.1585 ( 1658 PWs) bands (ev): -9.2770 -9.2770 -7.2827 -7.2826 -5.6736 -5.6736 -0.9183 -0.9182 2.1604 2.1617 3.2853 3.2858 4.2815 4.2821 5.5475 5.5475 6.2833 6.2840 6.3055 6.3056 7.6033 7.6034 7.8910 7.8917 8.6902 8.6902 10.1794 10.1798 11.4351 11.4353 15.5428 15.5428 17.2304 17.2313 18.2930 18.2941 18.8732 18.8742 k = 0.0000 0.1737 0.1585 ( 1662 PWs) bands (ev): -9.3211 -9.3210 -7.3206 -7.3205 -5.7100 -5.7100 -0.9666 -0.9665 2.2506 2.2519 3.3375 3.3382 4.3075 4.3080 5.6288 5.6288 6.2730 6.2730 6.4352 6.4356 7.5801 7.5801 7.9853 7.9860 8.6857 8.6857 10.2134 10.2139 11.5357 11.5359 15.5221 15.5221 17.1348 17.1357 18.3286 18.3296 18.8399 18.8409 k = 0.0000 0.1658 0.1585 ( 1662 PWs) bands (ev): -9.3633 -9.3633 -7.3572 -7.3572 -5.7452 -5.7451 -1.0128 -1.0127 2.3341 2.3353 3.3822 3.3829 4.3386 4.3390 5.7164 5.7164 6.2417 6.2417 6.5894 6.5898 7.5576 7.5576 8.0749 8.0757 8.6811 8.6811 10.2435 10.2439 11.6380 11.6382 15.5017 15.5017 17.0366 17.0374 18.3572 18.3582 18.8096 18.8105 k = 0.0000 0.1580 0.1585 ( 1662 PWs) bands (ev): -9.4037 -9.4036 -7.3925 -7.3924 -5.7789 -5.7789 -1.0569 -1.0568 2.4101 2.4113 3.4199 3.4207 4.3756 4.3759 5.8098 5.8099 6.2116 6.2116 6.7450 6.7453 7.5358 7.5358 8.1598 8.1606 8.6763 8.6763 10.2694 10.2699 11.7420 11.7422 15.4818 15.4818 16.9362 16.9370 18.3752 18.3760 18.7819 18.7825 k = 0.0000 0.1501 0.1585 ( 1658 PWs) bands (ev): -9.4422 -9.4421 -7.4263 -7.4263 -5.8113 -5.8113 -1.0989 -1.0988 2.4782 2.4795 3.4514 3.4522 4.4186 4.4189 5.9081 5.9083 6.1829 6.1829 6.9010 6.9013 7.5147 7.5147 8.2399 8.2408 8.6714 8.6714 10.2913 10.2918 11.8474 11.8475 15.4624 15.4624 16.8341 16.8348 18.3790 18.3797 18.7547 18.7549 k = 0.0000 0.1422 0.1585 ( 1654 PWs) bands (ev): -9.4788 -9.4788 -7.4587 -7.4586 -5.8423 -5.8422 -1.1387 -1.1387 2.5384 2.5396 3.4775 3.4783 4.4678 4.4680 6.0104 6.0106 6.1555 6.1555 7.0567 7.0570 7.4946 7.4946 8.3151 8.3160 8.6665 8.6665 10.3091 10.3096 11.9539 11.9540 15.4435 15.4435 16.7307 16.7313 18.3667 18.3671 18.7237 18.7240 k = 0.0000 0.1343 0.1585 ( 1654 PWs) bands (ev): -9.5135 -9.5135 -7.4895 -7.4895 -5.8718 -5.8717 -1.1765 -1.1764 2.5907 2.5918 3.4988 3.4995 4.5228 4.5230 6.1155 6.1158 6.1295 6.1295 7.2115 7.2117 7.4752 7.4753 8.3852 8.3861 8.6616 8.6616 10.3227 10.3232 12.0611 12.0611 15.4253 15.4253 16.6266 16.6272 18.3380 18.3381 18.6851 18.6858 k = 0.0000 0.1264 0.1585 ( 1654 PWs) bands (ev): -9.5463 -9.5463 -7.5188 -7.5188 -5.8997 -5.8997 -1.2121 -1.2121 2.6354 2.6365 3.5159 3.5166 4.5832 4.5834 6.1047 6.1047 6.2225 6.2228 7.3646 7.3648 7.4568 7.4568 8.4503 8.4513 8.6567 8.6567 10.3324 10.3328 12.1685 12.1685 15.4078 15.4078 16.5223 16.5229 18.2936 18.2937 18.6392 18.6402 k = 0.0000 0.1185 0.1585 ( 1646 PWs) bands (ev): -9.5772 -9.5772 -7.5465 -7.5465 -5.9262 -5.9261 -1.2456 -1.2456 2.6730 2.6741 3.5295 3.5302 4.6481 4.6483 6.0814 6.0814 6.3301 6.3304 7.4393 7.4393 7.5156 7.5158 8.5104 8.5115 8.6520 8.6520 10.3380 10.3385 12.2757 12.2757 15.3910 15.3910 16.4185 16.4190 18.2353 18.2355 18.5895 18.5906 k = 0.0000 0.1106 0.1585 ( 1648 PWs) bands (ev): -9.6061 -9.6061 -7.5726 -7.5725 -5.9510 -5.9510 -1.2770 -1.2769 2.7043 2.7052 3.5400 3.5406 4.7165 4.7167 6.0594 6.0595 6.4371 6.4374 7.4228 7.4228 7.6636 7.6638 8.5655 8.5666 8.6475 8.6475 10.3397 10.3402 12.3820 12.3820 15.3750 15.3750 16.3159 16.3163 18.1657 18.1659 18.5399 18.5409 k = 0.0000 0.1027 0.1585 ( 1648 PWs) bands (ev): -9.6331 -9.6331 -7.5970 -7.5969 -5.9743 -5.9743 -1.3062 -1.3061 2.7299 2.7308 3.5480 3.5486 4.7873 4.7875 6.0389 6.0390 6.5425 6.5428 7.4074 7.4074 7.8082 7.8084 8.6153 8.6165 8.6434 8.6435 10.3376 10.3381 12.4868 12.4868 15.3600 15.3600 16.2151 16.2155 18.0877 18.0878 18.4926 18.4935 k = 0.0000 0.0948 0.1585 ( 1648 PWs) bands (ev): -9.6581 -9.6581 -7.6196 -7.6196 -5.9959 -5.9959 -1.3332 -1.3332 2.7506 2.7514 3.5539 3.5545 4.8592 4.8594 6.0199 6.0199 6.6453 6.6457 7.3929 7.3929 7.9487 7.9489 8.6375 8.6376 8.6626 8.6636 10.3318 10.3323 12.5895 12.5895 15.3458 15.3458 16.1169 16.1173 18.0044 18.0045 18.4483 18.4491 k = 0.0000 0.0869 0.1585 ( 1648 PWs) bands (ev): -9.6812 -9.6812 -7.6406 -7.6406 -6.0159 -6.0159 -1.3581 -1.3581 2.7672 2.7679 3.5581 3.5586 4.9310 4.9311 6.0023 6.0023 6.7446 6.7449 7.3795 7.3795 8.0844 8.0846 8.6340 8.6340 8.7030 8.7041 10.3225 10.3229 12.6891 12.6892 15.3326 15.3326 16.0222 16.0225 17.9190 17.9190 18.4070 18.4077 k = 0.0000 0.0790 0.1585 ( 1654 PWs) bands (ev): -9.7023 -9.7023 -7.6598 -7.6598 -6.0342 -6.0342 -1.3809 -1.3809 2.7803 2.7809 3.5610 3.5614 5.0013 5.0014 5.9862 5.9862 6.8392 6.8395 7.3672 7.3672 8.2145 8.2147 8.6303 8.6303 8.7394 8.7405 10.3099 10.3104 12.7850 12.7850 15.3204 15.3204 15.9317 15.9320 17.8340 17.8340 18.3683 18.3689 k = 0.0000 0.0711 0.1585 ( 1652 PWs) bands (ev): -9.7214 -9.7214 -7.6773 -7.6772 -6.0509 -6.0508 -1.4015 -1.4015 2.7905 2.7911 3.5628 3.5631 5.0690 5.0691 5.9716 5.9716 6.9283 6.9287 7.3560 7.3560 8.3382 8.3385 8.6268 8.6268 8.7715 8.7726 10.2944 10.2948 12.8761 12.8762 15.3093 15.3093 15.8463 15.8465 17.7515 17.7516 18.3322 18.3326 k = 0.0000 0.0632 0.1585 ( 1652 PWs) bands (ev): -9.7385 -9.7385 -7.6929 -7.6929 -6.0658 -6.0658 -1.4199 -1.4199 2.7984 2.7989 3.5637 3.5641 5.1330 5.1331 5.9584 5.9585 7.0110 7.0113 7.3459 7.3459 8.4546 8.4549 8.6236 8.6236 8.7995 8.8007 10.2764 10.2768 12.9616 12.9617 15.2992 15.2992 15.7667 15.7669 17.6733 17.6734 18.2986 18.2990 k = 0.0000 0.0553 0.1585 ( 1656 PWs) bands (ev): -9.7536 -9.7536 -7.7068 -7.7068 -6.0790 -6.0790 -1.4362 -1.4362 2.8044 2.8048 3.5641 3.5644 5.1923 5.1924 5.9468 5.9468 7.0863 7.0866 7.3370 7.3370 8.5625 8.5631 8.6206 8.6208 8.8235 8.8248 10.2564 10.2568 13.0405 13.0405 15.2902 15.2902 15.6939 15.6941 17.6010 17.6011 18.2677 18.2680 k = 0.0000 0.0474 0.1585 ( 1648 PWs) bands (ev): -9.7667 -9.7667 -7.7188 -7.7188 -6.0904 -6.0904 -1.4503 -1.4502 2.8089 2.8092 3.5642 3.5644 5.2458 5.2458 5.9367 5.9367 7.1536 7.1539 7.3292 7.3292 8.6179 8.6180 8.6614 8.6619 8.8439 8.8453 10.2352 10.2355 13.1117 13.1117 15.2824 15.2824 15.6287 15.6288 17.5357 17.5358 18.2397 18.2399 k = 0.0000 0.0395 0.1585 ( 1644 PWs) bands (ev): -9.7778 -9.7778 -7.7290 -7.7290 -6.1001 -6.1001 -1.4622 -1.4622 2.8122 2.8125 3.5639 3.5641 5.2925 5.2926 5.9282 5.9282 7.2119 7.2122 7.3226 7.3226 8.6159 8.6159 8.7487 8.7496 8.8608 8.8625 10.2137 10.2140 13.1742 13.1742 15.2758 15.2758 15.5718 15.5719 17.4786 17.4787 18.2150 18.2152 k = 0.0000 0.0316 0.1585 ( 1644 PWs) bands (ev): -9.7869 -9.7869 -7.7374 -7.7373 -6.1081 -6.1081 -1.4720 -1.4720 2.8146 2.8148 3.5636 3.5637 5.3319 5.3319 5.9212 5.9212 7.2606 7.2609 7.3173 7.3173 8.6141 8.6141 8.8230 8.8249 8.8744 8.8769 10.1931 10.1933 13.2270 13.2270 15.2703 15.2703 15.5240 15.5241 17.4306 17.4307 18.1941 18.1942 k = 0.0000 0.0237 0.1585 ( 1648 PWs) bands (ev): -9.7939 -9.7939 -7.7439 -7.7439 -6.1143 -6.1143 -1.4796 -1.4796 2.8163 2.8164 3.5632 3.5633 5.3632 5.3632 5.9157 5.9157 7.2990 7.2991 7.3133 7.3134 8.6126 8.6127 8.8758 8.8820 8.8889 8.8956 10.1747 10.1750 13.2692 13.2692 15.2660 15.2660 15.4860 15.4861 17.3924 17.3925 18.1772 18.1772 k = 0.0000 0.0158 0.1585 ( 1646 PWs) bands (ev): -9.7990 -9.7990 -7.7485 -7.7485 -6.1187 -6.1187 -1.4850 -1.4850 2.8174 2.8175 3.5629 3.5630 5.3860 5.3861 5.9119 5.9119 7.3096 7.3096 7.3276 7.3277 8.6116 8.6116 8.8901 8.8913 8.9323 8.9338 10.1602 10.1603 13.3000 13.3000 15.2630 15.2630 15.4584 15.4584 17.3648 17.3648 18.1648 18.1649 k = 0.0000 0.0079 0.1585 ( 1648 PWs) bands (ev): -9.8020 -9.8020 -7.7513 -7.7513 -6.1214 -6.1214 -1.4882 -1.4882 2.8180 2.8180 3.5627 3.5627 5.3998 5.3999 5.9095 5.9095 7.3079 7.3079 7.3444 7.3444 8.6110 8.6110 8.8953 8.8956 8.9604 8.9609 10.1507 10.1508 13.3188 13.3188 15.2611 15.2611 15.4416 15.4417 17.3480 17.3480 18.1573 18.1573 k = 0.0000 0.0000 0.1585 ( 1660 PWs) bands (ev): -9.8031 -9.8031 -7.7523 -7.7523 -6.1223 -6.1223 -1.4893 -1.4893 2.8182 2.8182 3.5626 3.5626 5.4044 5.4044 5.9087 5.9087 7.3073 7.3073 7.3499 7.3499 8.6107 8.6107 8.8969 8.8969 8.9699 8.9699 10.1475 10.1475 13.3250 13.3250 15.2605 15.2605 15.4360 15.4360 17.3424 17.3424 18.1547 18.1547 k = 0.0000 0.4896-0.0000 ( 1682 PWs) bands (ev): -6.7043 -6.7043 -6.6951 -6.6951 -4.1317 -4.1317 -0.4890 -0.4890 -0.3617 -0.3617 0.3549 0.3549 3.2746 3.2746 4.2971 4.2971 4.5948 4.5948 4.9307 4.9307 7.9832 7.9832 7.9960 7.9960 8.5819 8.5819 8.8153 8.8153 9.2323 9.2323 16.0012 16.0012 17.2012 17.2012 19.4777 19.4777 20.3875 20.3875 k = 0.0000 0.4896 0.0079 ( 1690 PWs) bands (ev): -6.7043 -6.7043 -6.6951 -6.6951 -4.1319 -4.1319 -0.4874 -0.4874 -0.3645 -0.3645 0.3594 0.3594 3.2611 3.2611 4.3120 4.3120 4.5551 4.5551 4.9713 4.9713 7.9831 7.9831 7.9959 7.9959 8.5819 8.5819 8.8114 8.8114 9.2289 9.2289 16.0011 16.0011 17.2039 17.2039 19.4803 19.4803 20.3879 20.3879 k = 0.0000 0.4896 0.0158 ( 1690 PWs) bands (ev): -6.7042 -6.7042 -6.6951 -6.6951 -4.1327 -4.1327 -0.4825 -0.4825 -0.3725 -0.3725 0.3729 0.3729 3.2229 3.2229 4.3544 4.3544 4.4673 4.4673 5.0621 5.0621 7.9832 7.9832 7.9959 7.9959 8.5818 8.5818 8.7999 8.7999 9.2187 9.2187 16.0009 16.0009 17.2119 17.2119 19.4882 19.4882 20.3891 20.3891 k = 0.0000 0.4896 0.0238 ( 1686 PWs) bands (ev): -6.7040 -6.7040 -6.6951 -6.6951 -4.1340 -4.1340 -0.4744 -0.4744 -0.3852 -0.3852 0.3945 0.3945 3.1655 3.1655 4.3632 4.3632 4.4189 4.4189 5.1710 5.1710 7.9832 7.9832 7.9959 7.9959 8.5818 8.5818 8.7810 8.7810 9.2018 9.2018 16.0007 16.0007 17.2250 17.2250 19.5013 19.5013 20.3911 20.3911 k = 0.0000 0.4896 0.0317 ( 1684 PWs) bands (ev): -6.7038 -6.7038 -6.6950 -6.6950 -4.1358 -4.1358 -0.4634 -0.4634 -0.4015 -0.4015 0.4232 0.4232 3.0947 3.0947 4.2541 4.2541 4.4993 4.4993 5.2868 5.2868 7.9833 7.9833 7.9959 7.9959 8.5817 8.5817 8.7549 8.7549 9.1785 9.1785 16.0003 16.0003 17.2431 17.2431 19.5193 19.5193 20.3940 20.3940 k = 0.0000 0.4896 0.0396 ( 1684 PWs) bands (ev): -6.7035 -6.7035 -6.6950 -6.6950 -4.1380 -4.1380 -0.4495 -0.4495 -0.4206 -0.4206 0.4580 0.4580 3.0156 3.0156 4.1440 4.1440 4.5908 4.5908 5.4055 5.4055 7.9834 7.9834 7.9959 7.9959 8.5816 8.5816 8.7220 8.7220 9.1489 9.1489 15.9998 15.9998 17.2655 17.2655 19.5419 19.5419 20.3976 20.3976 k = 0.0000 0.4896 0.0475 ( 1684 PWs) bands (ev): -6.7032 -6.7032 -6.6949 -6.6949 -4.1406 -4.1406 -0.4413 -0.4413 -0.4329 -0.4329 0.4975 0.4975 2.9320 2.9320 4.0349 4.0349 4.6894 4.6894 5.5251 5.5251 7.9834 7.9834 7.9960 7.9960 8.5815 8.5815 8.6828 8.6828 9.1135 9.1135 15.9992 15.9992 17.2920 17.2920 19.5688 19.5688 20.4020 20.4020 k = 0.0000 0.4896 0.0555 ( 1684 PWs) bands (ev): -6.7028 -6.7028 -6.6949 -6.6949 -4.1435 -4.1435 -0.4629 -0.4629 -0.4140 -0.4140 0.5409 0.5409 2.8464 2.8464 3.9277 3.9277 4.7925 4.7925 5.6445 5.6445 7.9835 7.9835 7.9960 7.9960 8.5813 8.5813 8.6379 8.6379 9.0727 9.0727 15.9986 15.9986 17.3218 17.3218 19.5995 19.5995 20.4073 20.4073 k = 0.0000 0.4896 0.0634 ( 1684 PWs) bands (ev): -6.7024 -6.7024 -6.6948 -6.6948 -4.1466 -4.1466 -0.4847 -0.4847 -0.3932 -0.3932 0.5870 0.5870 2.7609 2.7609 3.8234 3.8234 4.8977 4.8977 5.7629 5.7629 7.9836 7.9836 7.9960 7.9960 8.5803 8.5803 8.5888 8.5888 9.0270 9.0270 15.9979 15.9979 17.3544 17.3544 19.6336 19.6336 20.4134 20.4134 k = 0.0000 0.4896 0.0713 ( 1684 PWs) bands (ev): -6.7019 -6.7019 -6.6948 -6.6948 -4.1498 -4.1498 -0.5062 -0.5062 -0.3707 -0.3707 0.6349 0.6349 2.6771 2.6771 3.7225 3.7225 5.0035 5.0035 5.8794 5.8794 7.9838 7.9838 7.9960 7.9960 8.5337 8.5337 8.5813 8.5813 8.9772 8.9772 15.9972 15.9972 17.3890 17.3890 19.6703 19.6703 20.4203 20.4203 k = 0.0000 0.4896 0.0792 ( 1690 PWs) bands (ev): -6.7015 -6.7015 -6.6947 -6.6947 -4.1532 -4.1532 -0.5268 -0.5268 -0.3472 -0.3472 0.6838 0.6838 2.5961 2.5961 3.6257 3.6257 5.1084 5.1084 5.9932 5.9932 7.9839 7.9839 7.9960 7.9960 8.4765 8.4765 8.5810 8.5810 8.9239 8.9239 15.9964 15.9964 17.4247 17.4247 19.7090 19.7090 20.4281 20.4281 k = 0.0000 0.4896 0.0872 ( 1690 PWs) bands (ev): -6.7010 -6.7010 -6.6946 -6.6946 -4.1565 -4.1565 -0.5462 -0.5462 -0.3230 -0.3230 0.7328 0.7328 2.5190 2.5190 3.5339 3.5339 5.2108 5.2108 6.1035 6.1035 7.9840 7.9840 7.9960 7.9960 8.4173 8.4173 8.5809 8.5809 8.8680 8.8680 15.9957 15.9957 17.4608 17.4608 19.7488 19.7488 20.4368 20.4368 k = 0.0000 0.4896 0.0951 ( 1696 PWs) bands (ev): -6.7006 -6.7006 -6.6946 -6.6946 -4.1597 -4.1597 -0.5642 -0.5642 -0.2987 -0.2987 0.7808 0.7808 2.4468 2.4468 3.4477 3.4477 5.3094 5.3094 6.2092 6.2092 7.9841 7.9841 7.9960 7.9960 8.3572 8.3572 8.5807 8.5807 8.8107 8.8107 15.9950 15.9950 17.4964 17.4964 19.7887 19.7887 20.4462 20.4462 k = 0.0000 0.4896 0.1030 ( 1696 PWs) bands (ev): -6.7002 -6.7002 -6.6945 -6.6945 -4.1628 -4.1628 -0.5805 -0.5805 -0.2751 -0.2751 0.8271 0.8271 2.3803 2.3803 3.3680 3.3680 5.4028 5.4028 6.3091 6.3091 7.9842 7.9842 7.9960 7.9960 8.2977 8.2977 8.5806 8.5806 8.7533 8.7533 15.9943 15.9943 17.5306 17.5306 19.8279 19.8279 20.4566 20.4566 k = 0.0000 0.4896 0.1109 ( 1692 PWs) bands (ev): -6.6998 -6.6998 -6.6945 -6.6945 -4.1656 -4.1656 -0.5948 -0.5948 -0.2527 -0.2527 0.8704 0.8704 2.3206 2.3206 3.2959 3.2959 5.4893 5.4893 6.4017 6.4017 7.9843 7.9843 7.9961 7.9961 8.2404 8.2404 8.5804 8.5804 8.6972 8.6972 15.9937 15.9937 17.5624 17.5624 19.8652 19.8652 20.4676 20.4676 k = 0.0000 0.4896 0.1189 ( 1692 PWs) bands (ev): -6.6994 -6.6994 -6.6944 -6.6944 -4.1681 -4.1681 -0.6072 -0.6072 -0.2322 -0.2322 0.9098 0.9098 2.2683 2.2683 3.2322 3.2322 5.5672 5.5672 6.4855 6.4855 7.9844 7.9844 7.9961 7.9961 8.1871 8.1871 8.5803 8.5803 8.6442 8.6442 15.9931 15.9931 17.5911 17.5911 19.8994 19.8994 20.4794 20.4794 k = 0.0000 0.4896 0.1268 ( 1684 PWs) bands (ev): -6.6991 -6.6991 -6.6944 -6.6944 -4.1702 -4.1702 -0.6175 -0.6175 -0.2143 -0.2143 0.9441 0.9441 2.2242 2.2242 3.1781 3.1781 5.6347 5.6347 6.5585 6.5585 7.9845 7.9845 7.9961 7.9961 8.1397 8.1397 8.5800 8.5800 8.5965 8.5965 15.9926 15.9926 17.6158 17.6158 19.9295 19.9295 20.4915 20.4915 k = 0.0000 0.4896 0.1347 ( 1684 PWs) bands (ev): -6.6989 -6.6989 -6.6943 -6.6943 -4.1719 -4.1719 -0.6255 -0.6255 -0.1996 -0.1996 0.9723 0.9723 2.1891 2.1891 3.1345 3.1345 5.6897 5.6897 6.6185 6.6185 7.9846 7.9846 7.9961 7.9961 8.1002 8.1002 8.5555 8.5555 8.5803 8.5803 15.9922 15.9922 17.6359 17.6359 19.9542 19.9542 20.5035 20.5035 k = 0.0000 0.4896 0.1426 ( 1684 PWs) bands (ev): -6.6987 -6.6987 -6.6943 -6.6943 -4.1732 -4.1732 -0.6313 -0.6313 -0.1886 -0.1886 0.9932 0.9932 2.1636 2.1636 3.1026 3.1026 5.7306 5.7306 6.6634 6.6634 7.9846 7.9846 7.9961 7.9961 8.0703 8.0703 8.5245 8.5245 8.5802 8.5802 15.9919 15.9919 17.6506 17.6506 19.9726 19.9726 20.5145 20.5145 k = 0.0000 0.4896 0.1505 ( 1686 PWs) bands (ev): -6.6986 -6.6986 -6.6943 -6.6943 -4.1739 -4.1739 -0.6348 -0.6348 -0.1819 -0.1819 1.0062 1.0062 2.1481 2.1481 3.0831 3.0831 5.7558 5.7558 6.6912 6.6912 7.9846 7.9846 7.9961 7.9961 8.0517 8.0517 8.5050 8.5050 8.5801 8.5801 15.9918 15.9918 17.6597 17.6597 19.9840 19.9840 20.5226 20.5226 k = 0.0000 0.4896 0.1585 ( 1684 PWs) bands (ev): -6.6986 -6.6986 -6.6943 -6.6943 -4.1742 -4.1742 -0.6360 -0.6360 -0.1796 -0.1796 1.0106 1.0106 2.1429 2.1429 3.0765 3.0765 5.7643 5.7643 6.7006 6.7006 7.9847 7.9847 7.9961 7.9961 8.0453 8.0453 8.4983 8.4983 8.5801 8.5801 15.9917 15.9917 17.6627 17.6627 19.9879 19.9879 20.5258 20.5258 k = 0.5000-0.0000 0.1585 ( 1700 PWs) bands (ev): -6.5365 -6.5365 -6.5137 -6.5137 -2.5194 -2.5194 -2.3154 -2.3154 0.0383 0.0383 0.3248 0.3248 2.9068 2.9068 2.9683 2.9683 6.2788 6.2788 6.3510 6.3510 7.5358 7.5358 7.6299 7.6299 8.1602 8.1602 8.4040 8.4040 11.6145 11.6145 11.7156 11.7156 18.8541 18.8541 19.1897 19.1897 20.0256 20.0256 k = 0.5000-0.0000 0.1505 ( 1700 PWs) bands (ev): -6.5365 -6.5365 -6.5137 -6.5137 -2.5190 -2.5190 -2.3150 -2.3150 0.0363 0.0363 0.3226 0.3226 2.9118 2.9118 2.9730 2.9730 6.2707 6.2707 6.3417 6.3417 7.5358 7.5358 7.6299 7.6299 8.1670 8.1670 8.4097 8.4097 11.6145 11.6145 11.7156 11.7156 18.8518 18.8518 19.1833 19.1833 20.0221 20.0221 k = 0.5000-0.0000 0.1426 ( 1700 PWs) bands (ev): -6.5366 -6.5366 -6.5137 -6.5137 -2.5179 -2.5179 -2.3136 -2.3136 0.0304 0.0304 0.3161 0.3161 2.9269 2.9269 2.9868 2.9868 6.2467 6.2467 6.3140 6.3140 7.5358 7.5358 7.6299 7.6299 8.1870 8.1870 8.4266 8.4266 11.6145 11.6145 11.7157 11.7157 18.8449 18.8449 19.1648 19.1648 20.0133 20.0133 k = 0.5000-0.0000 0.1347 ( 1708 PWs) bands (ev): -6.5366 -6.5366 -6.5138 -6.5138 -2.5161 -2.5161 -2.3113 -2.3113 0.0208 0.0208 0.3055 0.3055 2.9518 2.9518 3.0096 3.0096 6.2076 6.2076 6.2695 6.2695 7.5358 7.5358 7.6299 7.6299 8.2186 8.2186 8.4535 8.4535 11.6145 11.6145 11.7157 11.7157 18.8335 18.8335 19.1354 19.1354 20.0028 20.0028 k = 0.5000-0.0000 0.1268 ( 1708 PWs) bands (ev): -6.5367 -6.5367 -6.5139 -6.5139 -2.5136 -2.5136 -2.3081 -2.3081 0.0078 0.0078 0.2912 0.2912 2.9861 2.9861 3.0412 3.0412 6.1551 6.1551 6.2101 6.2101 7.5358 7.5358 7.6299 7.6299 8.2600 8.2600 8.4892 8.4892 11.6146 11.6146 11.7158 11.7158 18.8181 18.8181 19.0973 19.0973 19.9929 19.9929 k = 0.5000-0.0000 0.1189 ( 1712 PWs) bands (ev): -6.5368 -6.5368 -6.5140 -6.5140 -2.5105 -2.5105 -2.3042 -2.3042 -0.0083 -0.0083 0.2738 0.2738 3.0294 3.0294 3.0811 3.0811 6.0906 6.0906 6.1379 6.1379 7.5358 7.5358 7.6299 7.6299 8.3089 8.3089 8.5319 8.5319 11.6147 11.6147 11.7159 11.7159 18.7990 18.7990 19.0527 19.0527 19.9843 19.9843 k = 0.5000-0.0000 0.1109 ( 1712 PWs) bands (ev): -6.5370 -6.5370 -6.5141 -6.5141 -2.5069 -2.5069 -2.2995 -2.2995 -0.0268 -0.0268 0.2537 0.2537 3.0810 3.0810 3.1287 3.1287 6.0160 6.0160 6.0552 6.0552 7.5358 7.5358 7.6299 7.6299 8.3630 8.3630 8.5798 8.5798 11.6148 11.6148 11.7160 11.7160 18.7767 18.7767 19.0035 19.0035 19.9772 19.9772 k = 0.5000-0.0000 0.1030 ( 1706 PWs) bands (ev): -6.5371 -6.5371 -6.5142 -6.5142 -2.5028 -2.5028 -2.2942 -2.2942 -0.0474 -0.0474 0.2316 0.2316 3.1404 3.1404 3.1837 3.1837 5.9329 5.9329 5.9639 5.9639 7.5358 7.5358 7.6299 7.6299 8.4204 8.4204 8.6312 8.6312 11.6149 11.6149 11.7161 11.7161 18.7519 18.7519 18.9517 18.9517 19.9715 19.9715 k = 0.5000-0.0000 0.0951 ( 1706 PWs) bands (ev): -6.5373 -6.5373 -6.5144 -6.5144 -2.4983 -2.4983 -2.2885 -2.2885 -0.0694 -0.0694 0.2081 0.2081 3.2069 3.2069 3.2452 3.2452 5.8428 5.8428 5.8658 5.8658 7.5358 7.5358 7.6299 7.6299 8.4792 8.4792 8.6845 8.6845 11.6150 11.6150 11.7162 11.7162 18.7251 18.7251 18.8988 18.8988 19.9670 19.9670 k = 0.5000-0.0000 0.0872 ( 1704 PWs) bands (ev): -6.5374 -6.5374 -6.5146 -6.5146 -2.4935 -2.4935 -2.2823 -2.2823 -0.0922 -0.0922 0.1839 0.1839 3.2797 3.2797 3.3128 3.3128 5.7474 5.7474 5.7624 5.7624 7.5358 7.5358 7.6299 7.6299 8.5378 8.5378 8.7382 8.7382 11.6151 11.6151 11.7163 11.7163 18.6972 18.6972 18.8462 18.8462 19.9633 19.9633 k = 0.5000-0.0000 0.0792 ( 1698 PWs) bands (ev): -6.5376 -6.5376 -6.5147 -6.5147 -2.4886 -2.4886 -2.2759 -2.2759 -0.1153 -0.1153 0.1596 0.1596 3.3583 3.3583 3.3857 3.3857 5.6478 5.6478 5.6549 5.6549 7.5358 7.5358 7.6299 7.6299 8.5951 8.5951 8.7911 8.7911 11.6153 11.6153 11.7165 11.7165 18.6687 18.6687 18.7949 18.7949 19.9604 19.9604 k = 0.5000-0.0000 0.0713 ( 1698 PWs) bands (ev): -6.5378 -6.5378 -6.5149 -6.5149 -2.4837 -2.4837 -2.2695 -2.2695 -0.1381 -0.1381 0.1358 0.1358 3.4419 3.4419 3.4632 3.4632 5.5442 5.5442 5.5454 5.5454 7.5357 7.5357 7.6299 7.6299 8.6498 8.6498 8.8420 8.8420 11.6154 11.6154 11.7166 11.7166 18.6404 18.6404 18.7460 18.7460 19.9580 19.9580 k = 0.5000-0.0000 0.0634 ( 1698 PWs) bands (ev): -6.5379 -6.5379 -6.5150 -6.5150 -2.4788 -2.4788 -2.2631 -2.2631 -0.1602 -0.1602 0.1130 0.1130 3.5297 3.5297 3.5445 3.5445 5.4321 5.4321 5.4409 5.4409 7.5357 7.5357 7.6298 7.6298 8.7009 8.7009 8.8900 8.8900 11.6155 11.6155 11.7167 11.7167 18.6131 18.6131 18.7002 18.7002 19.9560 19.9560 k = 0.5000-0.0000 0.0555 ( 1698 PWs) bands (ev): -6.5381 -6.5381 -6.5152 -6.5152 -2.4741 -2.4741 -2.2570 -2.2570 -0.1808 -0.1808 0.0916 0.0916 3.6209 3.6209 3.6285 3.6285 5.3189 5.3189 5.3360 5.3360 7.5358 7.5358 7.6299 7.6299 8.7478 8.7478 8.9342 8.9342 11.6157 11.6157 11.7168 11.7168 18.5872 18.5872 18.6582 18.6582 19.9545 19.9545 k = 0.5000-0.0000 0.0475 ( 1694 PWs) bands (ev): -6.5382 -6.5382 -6.5153 -6.5153 -2.4698 -2.4698 -2.2513 -2.2513 -0.1998 -0.1998 0.0722 0.0722 3.7142 3.7142 3.7147 3.7147 5.2059 5.2059 5.2319 5.2319 7.5358 7.5358 7.6299 7.6299 8.7898 8.7898 8.9740 8.9740 11.6158 11.6158 11.7170 11.7170 18.5635 18.5635 18.6207 18.6207 19.9532 19.9532 k = 0.5000-0.0000 0.0396 ( 1690 PWs) bands (ev): -6.5384 -6.5384 -6.5155 -6.5155 -2.4659 -2.4659 -2.2461 -2.2461 -0.2165 -0.2165 0.0552 0.0552 3.8001 3.8001 3.8097 3.8097 5.0946 5.0946 5.1304 5.1304 7.5358 7.5358 7.6299 7.6299 8.8262 8.8262 9.0086 9.0086 11.6159 11.6159 11.7171 11.7171 18.5425 18.5425 18.5881 18.5881 19.9522 19.9522 k = 0.5000-0.0000 0.0317 ( 1688 PWs) bands (ev): -6.5385 -6.5385 -6.5156 -6.5156 -2.4625 -2.4625 -2.2417 -2.2417 -0.2307 -0.2307 0.0408 0.0408 3.8837 3.8837 3.9041 3.9041 4.9867 4.9867 5.0339 5.0339 7.5358 7.5358 7.6299 7.6299 8.8566 8.8566 9.0376 9.0376 11.6160 11.6160 11.7172 11.7172 18.5246 18.5246 18.5608 18.5608 19.9514 19.9514 k = 0.5000-0.0000 0.0238 ( 1688 PWs) bands (ev): -6.5386 -6.5386 -6.5157 -6.5157 -2.4598 -2.4598 -2.2381 -2.2381 -0.2421 -0.2421 0.0292 0.0292 3.9615 3.9615 3.9948 3.9948 4.8855 4.8855 4.9459 4.9459 7.5358 7.5358 7.6299 7.6299 8.8807 8.8807 9.0606 9.0606 11.6160 11.6160 11.7172 11.7172 18.5103 18.5103 18.5393 18.5393 19.9508 19.9508 k = 0.5000-0.0000 0.0158 ( 1690 PWs) bands (ev): -6.5386 -6.5386 -6.5157 -6.5157 -2.4578 -2.4578 -2.2355 -2.2355 -0.2504 -0.2504 0.0209 0.0209 4.0280 4.0280 4.0760 4.0760 4.7969 4.7969 4.8722 4.8722 7.5358 7.5358 7.6299 7.6299 8.8980 8.8980 9.0773 9.0773 11.6161 11.6161 11.7173 11.7173 18.4999 18.4999 18.5237 18.5237 19.9504 19.9504 k = 0.5000-0.0000 0.0079 ( 1698 PWs) bands (ev): -6.5387 -6.5387 -6.5158 -6.5158 -2.4566 -2.4566 -2.2339 -2.2339 -0.2555 -0.2555 0.0158 0.0158 4.0745 4.0745 4.1366 4.1366 4.7317 4.7317 4.8212 4.8212 7.5357 7.5357 7.6298 7.6298 8.9085 8.9085 9.0873 9.0873 11.6161 11.6161 11.7173 11.7173 18.4935 18.4935 18.5143 18.5143 19.9501 19.9501 k = 0.5000-0.0000-0.0000 ( 1698 PWs) bands (ev): -6.5387 -6.5387 -6.5158 -6.5158 -2.4562 -2.4562 -2.2333 -2.2333 -0.2572 -0.2572 0.0141 0.0141 4.0916 4.0916 4.1601 4.1601 4.7067 4.7067 4.8027 4.8027 7.5357 7.5357 7.6298 7.6298 8.9120 8.9120 9.0907 9.0907 11.6161 11.6161 11.7173 11.7173 18.4914 18.4914 18.5111 18.5111 19.9501 19.9501 k = 0.5000 0.4896-0.0000 ( 1704 PWs) bands (ev): -4.8205 -4.8205 -4.7714 -4.7714 -0.0463 -0.0463 0.0274 0.0274 1.4987 1.4987 1.5307 1.5307 2.9958 2.9958 3.5005 3.5005 3.8110 3.8110 3.8456 3.8456 4.8208 4.8208 5.1848 5.1848 5.7498 5.7498 5.9625 5.9625 7.5186 7.5186 7.9206 7.9206 15.1431 15.1431 15.4996 15.4996 17.2341 17.2341 k = 0.5000 0.4896 0.0079 ( 1700 PWs) bands (ev): -4.8205 -4.8205 -4.7714 -4.7714 -0.0462 -0.0462 0.0273 0.0273 1.4982 1.4982 1.5308 1.5308 2.9954 2.9954 3.5013 3.5013 3.8102 3.8102 3.8464 3.8464 4.8224 4.8224 5.1856 5.1856 5.7488 5.7488 5.9619 5.9619 7.5172 7.5172 7.9198 7.9198 15.1470 15.1470 15.5039 15.5039 17.2372 17.2372 k = 0.5000 0.4896 0.0158 ( 1704 PWs) bands (ev): -4.8204 -4.8204 -4.7714 -4.7714 -0.0459 -0.0459 0.0270 0.0270 1.4969 1.4969 1.5311 1.5311 2.9942 2.9942 3.5037 3.5037 3.8079 3.8079 3.8487 3.8487 4.8270 4.8270 5.1881 5.1881 5.7455 5.7455 5.9598 5.9598 7.5132 7.5132 7.9174 7.9174 15.1586 15.1586 15.5167 15.5167 17.2465 17.2465 k = 0.5000 0.4896 0.0238 ( 1704 PWs) bands (ev): -4.8204 -4.8204 -4.7714 -4.7714 -0.0454 -0.0454 0.0266 0.0266 1.4948 1.4948 1.5315 1.5315 2.9922 2.9922 3.5077 3.5077 3.8041 3.8041 3.8526 3.8526 4.8347 4.8347 5.1920 5.1920 5.7403 5.7403 5.9565 5.9565 7.5065 7.5065 7.9134 7.9134 15.1779 15.1779 15.5381 15.5381 17.2618 17.2618 k = 0.5000 0.4896 0.0317 ( 1704 PWs) bands (ev): -4.8204 -4.8204 -4.7714 -4.7714 -0.0448 -0.0448 0.0260 0.0260 1.4919 1.4919 1.5322 1.5322 2.9895 2.9895 3.5132 3.5132 3.7990 3.7990 3.8578 3.8578 4.8450 4.8450 5.1975 5.1975 5.7330 5.7330 5.9520 5.9520 7.4974 7.4974 7.9080 7.9080 15.2048 15.2048 15.5677 15.5677 17.2829 17.2829 k = 0.5000 0.4896 0.0396 ( 1704 PWs) bands (ev): -4.8204 -4.8204 -4.7714 -4.7714 -0.0440 -0.0440 0.0253 0.0253 1.4882 1.4882 1.5330 1.5330 2.9861 2.9861 3.5201 3.5201 3.7928 3.7928 3.8644 3.8644 4.8579 4.8579 5.2042 5.2042 5.7240 5.7240 5.9464 5.9464 7.4861 7.4861 7.9012 7.9012 15.2389 15.2389 15.6055 15.6055 17.3097 17.3097 k = 0.5000 0.4896 0.0475 ( 1708 PWs) bands (ev): -4.8204 -4.8204 -4.7714 -4.7714 -0.0430 -0.0430 0.0244 0.0244 1.4840 1.4840 1.5340 1.5340 2.9821 2.9821 3.5280 3.5280 3.7857 3.7857 3.8722 3.8722 4.8728 4.8728 5.2121 5.2121 5.7133 5.7133 5.9398 5.9398 7.4727 7.4727 7.8933 7.8933 15.2800 15.2800 15.6510 15.6510 17.3416 17.3416 k = 0.5000 0.4896 0.0555 ( 1704 PWs) bands (ev): -4.8203 -4.8203 -4.7714 -4.7714 -0.0419 -0.0419 0.0234 0.0234 1.4793 1.4793 1.5351 1.5351 2.9777 2.9777 3.5370 3.5370 3.7779 3.7779 3.8811 3.8811 4.8895 4.8895 5.2210 5.2210 5.7013 5.7013 5.9323 5.9323 7.4576 7.4576 7.8844 7.8844 15.3278 15.3278 15.7038 15.7038 17.3785 17.3785 k = 0.5000 0.4896 0.0634 ( 1700 PWs) bands (ev): -4.8203 -4.8203 -4.7714 -4.7714 -0.0408 -0.0408 0.0224 0.0224 1.4743 1.4743 1.5363 1.5363 2.9730 2.9730 3.5468 3.5468 3.7697 3.7697 3.8908 3.8908 4.9076 4.9076 5.2307 5.2307 5.6882 5.6882 5.9242 5.9242 7.4412 7.4412 7.8746 7.8746 15.3818 15.3818 15.7637 15.7637 17.4196 17.4196 k = 0.5000 0.4896 0.0713 ( 1696 PWs) bands (ev): -4.8202 -4.8202 -4.7714 -4.7714 -0.0395 -0.0395 0.0213 0.0213 1.4689 1.4689 1.5376 1.5376 2.9680 2.9680 3.5571 3.5571 3.7612 3.7612 3.9011 3.9011 4.9265 4.9265 5.2409 5.2409 5.6743 5.6743 5.9156 5.9156 7.4239 7.4239 7.8644 7.8644 15.4414 15.4414 15.8299 15.8299 17.4645 17.4645 k = 0.5000 0.4896 0.0792 ( 1700 PWs) bands (ev): -4.8202 -4.8202 -4.7714 -4.7714 -0.0382 -0.0382 0.0202 0.0202 1.4635 1.4635 1.5389 1.5389 2.9629 2.9629 3.5676 3.5676 3.7528 3.7528 3.9119 3.9119 4.9458 4.9458 5.2514 5.2514 5.6598 5.6598 5.9067 5.9067 7.4059 7.4059 7.8538 7.8538 15.5059 15.5059 15.9017 15.9017 17.5122 17.5122 k = 0.5000 0.4896 0.0872 ( 1700 PWs) bands (ev): -4.8202 -4.8202 -4.7714 -4.7714 -0.0370 -0.0370 0.0191 0.0191 1.4581 1.4581 1.5402 1.5402 2.9579 2.9579 3.5782 3.5782 3.7445 3.7445 3.9228 3.9228 4.9651 4.9651 5.2619 5.2619 5.6453 5.6453 5.8978 5.8978 7.3878 7.3878 7.8432 7.8432 15.5744 15.5744 15.9784 15.9784 17.5618 17.5618 k = 0.5000 0.4896 0.0951 ( 1692 PWs) bands (ev): -4.8201 -4.8201 -4.7714 -4.7714 -0.0357 -0.0357 0.0180 0.0180 1.4529 1.4529 1.5415 1.5415 2.9530 2.9530 3.5886 3.5886 3.7367 3.7367 3.9336 3.9336 4.9839 4.9839 5.2723 5.2723 5.6309 5.6309 5.8891 5.8891 7.3700 7.3700 7.8327 7.8327 15.6460 15.6460 16.0589 16.0589 17.6125 17.6125 k = 0.5000 0.4896 0.1030 ( 1688 PWs) bands (ev): -4.8201 -4.8201 -4.7713 -4.7713 -0.0345 -0.0345 0.0170 0.0170 1.4479 1.4479 1.5427 1.5427 2.9483 2.9483 3.5985 3.5985 3.7294 3.7294 3.9440 3.9440 5.0018 5.0018 5.2821 5.2821 5.6171 5.6171 5.8807 5.8807 7.3530 7.3530 7.8228 7.8228 15.7192 15.7192 16.1418 16.1418 17.6629 17.6629 k = 0.5000 0.4896 0.1109 ( 1692 PWs) bands (ev): -4.8200 -4.8200 -4.7713 -4.7713 -0.0334 -0.0334 0.0161 0.0161 1.4434 1.4434 1.5438 1.5438 2.9440 2.9440 3.6076 3.6076 3.7228 3.7228 3.9538 3.9538 5.0183 5.0183 5.2912 5.2912 5.6043 5.6043 5.8729 5.8729 7.3371 7.3371 7.8136 7.8136 15.7922 15.7922 16.2255 16.2255 17.7115 17.7115 k = 0.5000 0.4896 0.1189 ( 1692 PWs) bands (ev): -4.8200 -4.8200 -4.7713 -4.7713 -0.0324 -0.0324 0.0152 0.0152 1.4393 1.4393 1.5448 1.5448 2.9402 2.9402 3.6158 3.6158 3.7170 3.7170 3.9625 3.9625 5.0330 5.0330 5.2993 5.2993 5.5927 5.5927 5.8660 5.8660 7.3229 7.3229 7.8053 7.8053 15.8630 15.8630 16.3075 16.3075 17.7569 17.7569 k = 0.5000 0.4896 0.1268 ( 1688 PWs) bands (ev): -4.8200 -4.8200 -4.7713 -4.7713 -0.0315 -0.0315 0.0145 0.0145 1.4359 1.4359 1.5457 1.5457 2.9370 2.9370 3.6228 3.6228 3.7121 3.7121 3.9702 3.9702 5.0456 5.0456 5.3063 5.3063 5.5828 5.5828 5.8600 5.8600 7.3107 7.3107 7.7982 7.7982 15.9286 15.9286 16.3848 16.3848 17.7973 17.7973 k = 0.5000 0.4896 0.1347 ( 1692 PWs) bands (ev): -4.8200 -4.8200 -4.7713 -4.7713 -0.0309 -0.0309 0.0140 0.0140 1.4331 1.4331 1.5464 1.5464 2.9344 2.9344 3.6284 3.6284 3.7082 3.7082 3.9763 3.9763 5.0558 5.0558 5.3119 5.3119 5.5747 5.5747 5.8552 5.8552 7.3008 7.3008 7.7925 7.7925 15.9857 15.9857 16.4534 16.4534 17.8311 17.8311 k = 0.5000 0.4896 0.1426 ( 1692 PWs) bands (ev): -4.8199 -4.8199 -4.7713 -4.7713 -0.0304 -0.0304 0.0135 0.0135 1.4311 1.4311 1.5469 1.5469 2.9324 2.9324 3.6325 3.6325 3.7054 3.7054 3.9809 3.9809 5.0632 5.0632 5.3160 5.3160 5.5688 5.5688 5.8516 5.8516 7.2935 7.2935 7.7883 7.7883 16.0306 16.0306 16.5084 16.5084 17.8355 17.8355 k = 0.5000 0.4896 0.1505 ( 1688 PWs) bands (ev): -4.8199 -4.8199 -4.7713 -4.7713 -0.0301 -0.0301 0.0133 0.0133 1.4298 1.4298 1.5472 1.5472 2.9313 2.9313 3.6351 3.6351 3.7038 3.7038 3.9837 3.9837 5.0678 5.0678 5.3186 5.3186 5.5651 5.5651 5.8495 5.8495 7.2890 7.2890 7.7858 7.7858 16.0595 16.0595 16.5443 16.5443 17.7937 17.7937 k = 0.5000 0.4896 0.1585 ( 1688 PWs) bands (ev): -4.8199 -4.8199 -4.7713 -4.7713 -0.0300 -0.0300 0.0132 0.0132 1.4294 1.4294 1.5474 1.5474 2.9309 2.9309 3.6359 3.6359 3.7032 3.7032 3.9846 3.9846 5.0693 5.0693 5.3194 5.3194 5.5639 5.5639 5.8487 5.8487 7.2875 7.2875 7.7849 7.7849 16.0695 16.0695 16.5569 16.5569 17.7794 17.7794 Writing output data file B2CN.save init_run : 1.87s CPU 11.75s WALL ( 1 calls) electrons : 503.95s CPU 511.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.41s CPU 1.66s WALL ( 1 calls) Called by electrons: c_bands : 503.88s CPU 511.44s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.88s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.14s CPU 0.58s WALL ( 1 calls) newd : 0.14s CPU 0.37s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 592 calls) cegterg : 469.03s CPU 473.16s WALL ( 1403 calls) Called by sum_band: Called by *egterg: h_psi : 176.57s CPU 187.98s WALL ( 25211 calls) s_psi : 11.90s CPU 13.35s WALL ( 25211 calls) g_psi : 0.16s CPU 0.31s WALL ( 23216 calls) cdiaghg : 223.69s CPU 219.40s WALL ( 23808 calls) cegterg:over : 35.88s CPU 31.45s WALL ( 23216 calls) cegterg:upda : 1.53s CPU 4.48s WALL ( 23216 calls) cegterg:last : 2.05s CPU 3.05s WALL ( 3165 calls) Called by h_psi: h_psi:vloc : 135.25s CPU 147.42s WALL ( 25211 calls) h_psi:vnl : 41.26s CPU 40.17s WALL ( 25211 calls) add_vuspsi : 6.43s CPU 10.76s WALL ( 25211 calls) General routines calbec : 34.78s CPU 29.30s WALL ( 25211 calls) fft : 0.19s CPU 1.47s WALL ( 19 calls) ffts : 0.05s CPU 0.15s WALL ( 4 calls) fftw : 130.30s CPU 141.10s WALL ( 1471728 calls) interpolate : 0.12s CPU 0.24s WALL ( 4 calls) davcio : 0.02s CPU 0.87s WALL ( 1184 calls) Parallel routines fft_scatter : 93.48s CPU 99.92s WALL ( 1471751 calls) PWSCF : 9m12.37s CPU 10m39.40s WALL This run was terminated on: 17:11: 6 29Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=