Program PWSCF v.5.1.1 starts on 28Oct2015 at 7:29:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BC2N.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 13 4 644 243 42 Max 25 14 5 649 263 46 Sum 1185 641 193 31031 12197 2113 bravais-lattice index = 14 lattice parameter (alat) = 6.7350 a.u. unit-cell volume = 310.0466 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 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)= 6.734983 celldm(2)= 1.001122 celldm(3)= 1.013749 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 1.001122 0.000000 ) a(3) = ( 0.000000 0.000000 1.013749 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.998879 -0.000000 ) b(3) = ( 0.000000 0.000000 0.986438 ) 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 ( 2 have fractional translation) 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 = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5005612 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( -0.5005612 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_2 (222) there are 5 classes and 1 irreducible representations the character table: E -E C2 C2' C2'' -C2 -C2' -C2'' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 -E -1 Cartesian axes number of k points= 548 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0018248 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0018248 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0018248 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0018248 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0018248 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0018248 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0018248 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0018248 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0018248 k( 13) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0018248 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0018248 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0018248 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0018248 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 18) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0018248 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0018248 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0018248 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0018248 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0018248 k( 24) = ( 0.2555556 -0.0000000 -0.0000000), wk = 0.0018248 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0018248 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0018248 k( 28) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0018248 k( 30) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0018248 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0018248 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0018248 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0018248 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0018248 k( 35) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 36) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0018248 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0018248 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0018248 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0018248 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0018248 k( 42) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0018248 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0018248 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0018248 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 48) = ( 0.5000000 0.0110987 -0.0000000), wk = 0.0018248 k( 49) = ( 0.5000000 0.0221973 -0.0000000), wk = 0.0018248 k( 50) = ( 0.5000000 0.0332960 -0.0000000), wk = 0.0018248 k( 51) = ( 0.5000000 0.0443946 -0.0000000), wk = 0.0018248 k( 52) = ( 0.5000000 0.0554933 -0.0000000), wk = 0.0018248 k( 53) = ( 0.5000000 0.0665919 -0.0000000), wk = 0.0018248 k( 54) = ( 0.5000000 0.0776906 -0.0000000), wk = 0.0018248 k( 55) = ( 0.5000000 0.0887892 -0.0000000), wk = 0.0018248 k( 56) = ( 0.5000000 0.0998879 -0.0000000), wk = 0.0018248 k( 57) = ( 0.5000000 0.1109865 -0.0000000), wk = 0.0018248 k( 58) = ( 0.5000000 0.1220852 -0.0000000), wk = 0.0018248 k( 59) = ( 0.5000000 0.1331839 -0.0000000), wk = 0.0018248 k( 60) = ( 0.5000000 0.1442825 -0.0000000), wk = 0.0018248 k( 61) = ( 0.5000000 0.1553812 -0.0000000), wk = 0.0018248 k( 62) = ( 0.5000000 0.1664798 -0.0000000), wk = 0.0018248 k( 63) = ( 0.5000000 0.1775785 -0.0000000), wk = 0.0018248 k( 64) = ( 0.5000000 0.1886771 -0.0000000), wk = 0.0018248 k( 65) = ( 0.5000000 0.1997758 -0.0000000), wk = 0.0018248 k( 66) = ( 0.5000000 0.2108744 -0.0000000), wk = 0.0018248 k( 67) = ( 0.5000000 0.2219731 -0.0000000), wk = 0.0018248 k( 68) = ( 0.5000000 0.2330717 -0.0000000), wk = 0.0018248 k( 69) = ( 0.5000000 0.2441704 -0.0000000), wk = 0.0018248 k( 70) = ( 0.5000000 0.2552691 -0.0000000), wk = 0.0018248 k( 71) = ( 0.5000000 0.2663677 -0.0000000), wk = 0.0018248 k( 72) = ( 0.5000000 0.2774664 -0.0000000), wk = 0.0018248 k( 73) = ( 0.5000000 0.2885650 -0.0000000), wk = 0.0018248 k( 74) = ( 0.5000000 0.2996637 -0.0000000), wk = 0.0018248 k( 75) = ( 0.5000000 0.3107623 -0.0000000), wk = 0.0018248 k( 76) = ( 0.5000000 0.3218610 -0.0000000), wk = 0.0018248 k( 77) = ( 0.5000000 0.3329596 -0.0000000), wk = 0.0018248 k( 78) = ( 0.5000000 0.3440583 -0.0000000), wk = 0.0018248 k( 79) = ( 0.5000000 0.3551570 -0.0000000), wk = 0.0018248 k( 80) = ( 0.5000000 0.3662556 -0.0000000), wk = 0.0018248 k( 81) = ( 0.5000000 0.3773543 -0.0000000), wk = 0.0018248 k( 82) = ( 0.5000000 0.3884529 -0.0000000), wk = 0.0018248 k( 83) = ( 0.5000000 0.3995516 -0.0000000), wk = 0.0018248 k( 84) = ( 0.5000000 0.4106502 -0.0000000), wk = 0.0018248 k( 85) = ( 0.5000000 0.4217489 -0.0000000), wk = 0.0018248 k( 86) = ( 0.5000000 0.4328475 -0.0000000), wk = 0.0018248 k( 87) = ( 0.5000000 0.4439462 -0.0000000), wk = 0.0018248 k( 88) = ( 0.5000000 0.4550448 -0.0000000), wk = 0.0018248 k( 89) = ( 0.5000000 0.4661435 -0.0000000), wk = 0.0018248 k( 90) = ( 0.5000000 0.4772422 -0.0000000), wk = 0.0018248 k( 91) = ( 0.5000000 0.4883408 -0.0000000), wk = 0.0018248 k( 92) = ( 0.5000000 0.4994395 -0.0000000), wk = 0.0018248 k( 93) = ( 0.5000000 0.4994395 -0.0000000), wk = 0.0018248 k( 94) = ( 0.4888889 0.4994395 -0.0000000), wk = 0.0018248 k( 95) = ( 0.4777778 0.4994395 -0.0000000), wk = 0.0018248 k( 96) = ( 0.4666667 0.4994395 -0.0000000), wk = 0.0018248 k( 97) = ( 0.4555556 0.4994395 -0.0000000), wk = 0.0018248 k( 98) = ( 0.4444444 0.4994395 -0.0000000), wk = 0.0018248 k( 99) = ( 0.4333333 0.4994395 -0.0000000), wk = 0.0018248 k( 100) = ( 0.4222222 0.4994395 -0.0000000), wk = 0.0018248 k( 101) = ( 0.4111111 0.4994395 -0.0000000), wk = 0.0018248 k( 102) = ( 0.4000000 0.4994395 -0.0000000), wk = 0.0018248 k( 103) = ( 0.3888889 0.4994395 -0.0000000), wk = 0.0018248 k( 104) = ( 0.3777778 0.4994395 -0.0000000), wk = 0.0018248 k( 105) = ( 0.3666667 0.4994395 -0.0000000), wk = 0.0018248 k( 106) = ( 0.3555556 0.4994395 -0.0000000), wk = 0.0018248 k( 107) = ( 0.3444444 0.4994395 -0.0000000), wk = 0.0018248 k( 108) = ( 0.3333333 0.4994395 -0.0000000), wk = 0.0018248 k( 109) = ( 0.3222222 0.4994395 -0.0000000), wk = 0.0018248 k( 110) = ( 0.3111111 0.4994395 -0.0000000), wk = 0.0018248 k( 111) = ( 0.3000000 0.4994395 -0.0000000), wk = 0.0018248 k( 112) = ( 0.2888889 0.4994395 -0.0000000), wk = 0.0018248 k( 113) = ( 0.2777778 0.4994395 -0.0000000), wk = 0.0018248 k( 114) = ( 0.2666667 0.4994395 -0.0000000), wk = 0.0018248 k( 115) = ( 0.2555556 0.4994395 -0.0000000), wk = 0.0018248 k( 116) = ( 0.2444444 0.4994395 -0.0000000), wk = 0.0018248 k( 117) = ( 0.2333333 0.4994395 -0.0000000), wk = 0.0018248 k( 118) = ( 0.2222222 0.4994395 -0.0000000), wk = 0.0018248 k( 119) = ( 0.2111111 0.4994395 -0.0000000), wk = 0.0018248 k( 120) = ( 0.2000000 0.4994395 -0.0000000), wk = 0.0018248 k( 121) = ( 0.1888889 0.4994395 -0.0000000), wk = 0.0018248 k( 122) = ( 0.1777778 0.4994395 -0.0000000), wk = 0.0018248 k( 123) = ( 0.1666667 0.4994395 -0.0000000), wk = 0.0018248 k( 124) = ( 0.1555556 0.4994395 -0.0000000), wk = 0.0018248 k( 125) = ( 0.1444444 0.4994395 -0.0000000), wk = 0.0018248 k( 126) = ( 0.1333333 0.4994395 -0.0000000), wk = 0.0018248 k( 127) = ( 0.1222222 0.4994395 -0.0000000), wk = 0.0018248 k( 128) = ( 0.1111111 0.4994395 -0.0000000), wk = 0.0018248 k( 129) = ( 0.1000000 0.4994395 -0.0000000), wk = 0.0018248 k( 130) = ( 0.0888889 0.4994395 -0.0000000), wk = 0.0018248 k( 131) = ( 0.0777778 0.4994395 -0.0000000), wk = 0.0018248 k( 132) = ( 0.0666667 0.4994395 -0.0000000), wk = 0.0018248 k( 133) = ( 0.0555556 0.4994395 -0.0000000), wk = 0.0018248 k( 134) = ( 0.0444444 0.4994395 -0.0000000), wk = 0.0018248 k( 135) = ( 0.0333333 0.4994395 -0.0000000), wk = 0.0018248 k( 136) = ( 0.0222222 0.4994395 -0.0000000), wk = 0.0018248 k( 137) = ( 0.0111111 0.4994395 -0.0000000), wk = 0.0018248 k( 138) = ( 0.0000000 0.4994395 -0.0000000), wk = 0.0018248 k( 139) = ( 0.0000000 0.4994395 -0.0000000), wk = 0.0018248 k( 140) = ( 0.0000000 0.4883408 -0.0000000), wk = 0.0018248 k( 141) = ( 0.0000000 0.4772422 -0.0000000), wk = 0.0018248 k( 142) = ( 0.0000000 0.4661435 -0.0000000), wk = 0.0018248 k( 143) = ( 0.0000000 0.4550448 -0.0000000), wk = 0.0018248 k( 144) = ( 0.0000000 0.4439462 -0.0000000), wk = 0.0018248 k( 145) = ( 0.0000000 0.4328475 -0.0000000), wk = 0.0018248 k( 146) = ( 0.0000000 0.4217489 -0.0000000), wk = 0.0018248 k( 147) = ( 0.0000000 0.4106502 -0.0000000), wk = 0.0018248 k( 148) = ( 0.0000000 0.3995516 -0.0000000), wk = 0.0018248 k( 149) = ( 0.0000000 0.3884529 -0.0000000), wk = 0.0018248 k( 150) = ( 0.0000000 0.3773543 -0.0000000), wk = 0.0018248 k( 151) = ( 0.0000000 0.3662556 -0.0000000), wk = 0.0018248 k( 152) = ( 0.0000000 0.3551570 -0.0000000), wk = 0.0018248 k( 153) = ( 0.0000000 0.3440583 -0.0000000), wk = 0.0018248 k( 154) = ( 0.0000000 0.3329596 -0.0000000), wk = 0.0018248 k( 155) = ( 0.0000000 0.3218610 -0.0000000), wk = 0.0018248 k( 156) = ( 0.0000000 0.3107623 -0.0000000), wk = 0.0018248 k( 157) = ( 0.0000000 0.2996637 -0.0000000), wk = 0.0018248 k( 158) = ( 0.0000000 0.2885650 -0.0000000), wk = 0.0018248 k( 159) = ( 0.0000000 0.2774664 -0.0000000), wk = 0.0018248 k( 160) = ( 0.0000000 0.2663677 -0.0000000), wk = 0.0018248 k( 161) = ( 0.0000000 0.2552691 -0.0000000), wk = 0.0018248 k( 162) = ( 0.0000000 0.2441704 -0.0000000), wk = 0.0018248 k( 163) = ( 0.0000000 0.2330717 -0.0000000), wk = 0.0018248 k( 164) = ( 0.0000000 0.2219731 -0.0000000), wk = 0.0018248 k( 165) = ( 0.0000000 0.2108744 -0.0000000), wk = 0.0018248 k( 166) = ( 0.0000000 0.1997758 -0.0000000), wk = 0.0018248 k( 167) = ( 0.0000000 0.1886771 -0.0000000), wk = 0.0018248 k( 168) = ( 0.0000000 0.1775785 -0.0000000), wk = 0.0018248 k( 169) = ( 0.0000000 0.1664798 -0.0000000), wk = 0.0018248 k( 170) = ( 0.0000000 0.1553812 -0.0000000), wk = 0.0018248 k( 171) = ( 0.0000000 0.1442825 -0.0000000), wk = 0.0018248 k( 172) = ( 0.0000000 0.1331839 -0.0000000), wk = 0.0018248 k( 173) = ( 0.0000000 0.1220852 -0.0000000), wk = 0.0018248 k( 174) = ( 0.0000000 0.1109865 -0.0000000), wk = 0.0018248 k( 175) = ( 0.0000000 0.0998879 -0.0000000), wk = 0.0018248 k( 176) = ( 0.0000000 0.0887892 -0.0000000), wk = 0.0018248 k( 177) = ( 0.0000000 0.0776906 -0.0000000), wk = 0.0018248 k( 178) = ( 0.0000000 0.0665919 -0.0000000), wk = 0.0018248 k( 179) = ( 0.0000000 0.0554933 -0.0000000), wk = 0.0018248 k( 180) = ( 0.0000000 0.0443946 -0.0000000), wk = 0.0018248 k( 181) = ( 0.0000000 0.0332960 -0.0000000), wk = 0.0018248 k( 182) = ( 0.0000000 0.0221973 -0.0000000), wk = 0.0018248 k( 183) = ( 0.0000000 0.0110987 -0.0000000), wk = 0.0018248 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 186) = ( 0.0000000 0.0000000 0.0112095), wk = 0.0018248 k( 187) = ( 0.0000000 0.0000000 0.0224190), wk = 0.0018248 k( 188) = ( 0.0000000 0.0000000 0.0336286), wk = 0.0018248 k( 189) = ( 0.0000000 0.0000000 0.0448381), wk = 0.0018248 k( 190) = ( 0.0000000 0.0000000 0.0560476), wk = 0.0018248 k( 191) = ( 0.0000000 0.0000000 0.0672571), wk = 0.0018248 k( 192) = ( 0.0000000 0.0000000 0.0784666), wk = 0.0018248 k( 193) = ( 0.0000000 0.0000000 0.0896762), wk = 0.0018248 k( 194) = ( 0.0000000 0.0000000 0.1008857), wk = 0.0018248 k( 195) = ( 0.0000000 0.0000000 0.1120952), wk = 0.0018248 k( 196) = ( 0.0000000 0.0000000 0.1233047), wk = 0.0018248 k( 197) = ( 0.0000000 0.0000000 0.1345143), wk = 0.0018248 k( 198) = ( 0.0000000 0.0000000 0.1457238), wk = 0.0018248 k( 199) = ( 0.0000000 0.0000000 0.1569333), wk = 0.0018248 k( 200) = ( 0.0000000 0.0000000 0.1681428), wk = 0.0018248 k( 201) = ( 0.0000000 0.0000000 0.1793523), wk = 0.0018248 k( 202) = ( 0.0000000 0.0000000 0.1905619), wk = 0.0018248 k( 203) = ( 0.0000000 0.0000000 0.2017714), wk = 0.0018248 k( 204) = ( 0.0000000 0.0000000 0.2129809), wk = 0.0018248 k( 205) = ( 0.0000000 0.0000000 0.2241904), wk = 0.0018248 k( 206) = ( 0.0000000 0.0000000 0.2353999), wk = 0.0018248 k( 207) = ( 0.0000000 0.0000000 0.2466095), wk = 0.0018248 k( 208) = ( 0.0000000 0.0000000 0.2578190), wk = 0.0018248 k( 209) = ( 0.0000000 0.0000000 0.2690285), wk = 0.0018248 k( 210) = ( 0.0000000 0.0000000 0.2802380), wk = 0.0018248 k( 211) = ( 0.0000000 0.0000000 0.2914476), wk = 0.0018248 k( 212) = ( 0.0000000 0.0000000 0.3026571), wk = 0.0018248 k( 213) = ( 0.0000000 0.0000000 0.3138666), wk = 0.0018248 k( 214) = ( 0.0000000 0.0000000 0.3250761), wk = 0.0018248 k( 215) = ( 0.0000000 0.0000000 0.3362856), wk = 0.0018248 k( 216) = ( 0.0000000 0.0000000 0.3474952), wk = 0.0018248 k( 217) = ( 0.0000000 0.0000000 0.3587047), wk = 0.0018248 k( 218) = ( 0.0000000 0.0000000 0.3699142), wk = 0.0018248 k( 219) = ( 0.0000000 0.0000000 0.3811237), wk = 0.0018248 k( 220) = ( 0.0000000 0.0000000 0.3923332), wk = 0.0018248 k( 221) = ( 0.0000000 0.0000000 0.4035428), wk = 0.0018248 k( 222) = ( 0.0000000 0.0000000 0.4147523), wk = 0.0018248 k( 223) = ( 0.0000000 0.0000000 0.4259618), wk = 0.0018248 k( 224) = ( 0.0000000 0.0000000 0.4371713), wk = 0.0018248 k( 225) = ( 0.0000000 0.0000000 0.4483808), wk = 0.0018248 k( 226) = ( 0.0000000 0.0000000 0.4595904), wk = 0.0018248 k( 227) = ( 0.0000000 0.0000000 0.4707999), wk = 0.0018248 k( 228) = ( 0.0000000 0.0000000 0.4820094), wk = 0.0018248 k( 229) = ( 0.0000000 0.0000000 0.4932189), wk = 0.0018248 k( 230) = ( 0.0000000 0.0000000 0.4932189), wk = 0.0018248 k( 231) = ( 0.0111111 -0.0000000 0.4932189), wk = 0.0018248 k( 232) = ( 0.0222222 -0.0000000 0.4932189), wk = 0.0018248 k( 233) = ( 0.0333333 -0.0000000 0.4932189), wk = 0.0018248 k( 234) = ( 0.0444444 -0.0000000 0.4932189), wk = 0.0018248 k( 235) = ( 0.0555556 -0.0000000 0.4932189), wk = 0.0018248 k( 236) = ( 0.0666667 -0.0000000 0.4932189), wk = 0.0018248 k( 237) = ( 0.0777778 -0.0000000 0.4932189), wk = 0.0018248 k( 238) = ( 0.0888889 -0.0000000 0.4932189), wk = 0.0018248 k( 239) = ( 0.1000000 -0.0000000 0.4932189), wk = 0.0018248 k( 240) = ( 0.1111111 -0.0000000 0.4932189), wk = 0.0018248 k( 241) = ( 0.1222222 -0.0000000 0.4932189), wk = 0.0018248 k( 242) = ( 0.1333333 -0.0000000 0.4932189), wk = 0.0018248 k( 243) = ( 0.1444444 -0.0000000 0.4932189), wk = 0.0018248 k( 244) = ( 0.1555556 -0.0000000 0.4932189), wk = 0.0018248 k( 245) = ( 0.1666667 -0.0000000 0.4932189), wk = 0.0018248 k( 246) = ( 0.1777778 -0.0000000 0.4932189), wk = 0.0018248 k( 247) = ( 0.1888889 -0.0000000 0.4932189), wk = 0.0018248 k( 248) = ( 0.2000000 -0.0000000 0.4932189), wk = 0.0018248 k( 249) = ( 0.2111111 -0.0000000 0.4932189), wk = 0.0018248 k( 250) = ( 0.2222222 -0.0000000 0.4932189), wk = 0.0018248 k( 251) = ( 0.2333333 -0.0000000 0.4932189), wk = 0.0018248 k( 252) = ( 0.2444444 -0.0000000 0.4932189), wk = 0.0018248 k( 253) = ( 0.2555556 -0.0000000 0.4932189), wk = 0.0018248 k( 254) = ( 0.2666667 -0.0000000 0.4932189), wk = 0.0018248 k( 255) = ( 0.2777778 -0.0000000 0.4932189), wk = 0.0018248 k( 256) = ( 0.2888889 -0.0000000 0.4932189), wk = 0.0018248 k( 257) = ( 0.3000000 -0.0000000 0.4932189), wk = 0.0018248 k( 258) = ( 0.3111111 -0.0000000 0.4932189), wk = 0.0018248 k( 259) = ( 0.3222222 -0.0000000 0.4932189), wk = 0.0018248 k( 260) = ( 0.3333333 -0.0000000 0.4932189), wk = 0.0018248 k( 261) = ( 0.3444444 -0.0000000 0.4932189), wk = 0.0018248 k( 262) = ( 0.3555556 -0.0000000 0.4932189), wk = 0.0018248 k( 263) = ( 0.3666667 -0.0000000 0.4932189), wk = 0.0018248 k( 264) = ( 0.3777778 -0.0000000 0.4932189), wk = 0.0018248 k( 265) = ( 0.3888889 -0.0000000 0.4932189), wk = 0.0018248 k( 266) = ( 0.4000000 -0.0000000 0.4932189), wk = 0.0018248 k( 267) = ( 0.4111111 -0.0000000 0.4932189), wk = 0.0018248 k( 268) = ( 0.4222222 -0.0000000 0.4932189), wk = 0.0018248 k( 269) = ( 0.4333333 -0.0000000 0.4932189), wk = 0.0018248 k( 270) = ( 0.4444444 -0.0000000 0.4932189), wk = 0.0018248 k( 271) = ( 0.4555556 -0.0000000 0.4932189), wk = 0.0018248 k( 272) = ( 0.4666667 -0.0000000 0.4932189), wk = 0.0018248 k( 273) = ( 0.4777778 -0.0000000 0.4932189), wk = 0.0018248 k( 274) = ( 0.4888889 -0.0000000 0.4932189), wk = 0.0018248 k( 275) = ( 0.5000000 -0.0000000 0.4932189), wk = 0.0018248 k( 276) = ( 0.5000000 -0.0000000 0.4932189), wk = 0.0018248 k( 277) = ( 0.5000000 0.0110987 0.4932189), wk = 0.0018248 k( 278) = ( 0.5000000 0.0221973 0.4932189), wk = 0.0018248 k( 279) = ( 0.5000000 0.0332960 0.4932189), wk = 0.0018248 k( 280) = ( 0.5000000 0.0443946 0.4932189), wk = 0.0018248 k( 281) = ( 0.5000000 0.0554933 0.4932189), wk = 0.0018248 k( 282) = ( 0.5000000 0.0665919 0.4932189), wk = 0.0018248 k( 283) = ( 0.5000000 0.0776906 0.4932189), wk = 0.0018248 k( 284) = ( 0.5000000 0.0887892 0.4932189), wk = 0.0018248 k( 285) = ( 0.5000000 0.0998879 0.4932189), wk = 0.0018248 k( 286) = ( 0.5000000 0.1109865 0.4932189), wk = 0.0018248 k( 287) = ( 0.5000000 0.1220852 0.4932189), wk = 0.0018248 k( 288) = ( 0.5000000 0.1331839 0.4932189), wk = 0.0018248 k( 289) = ( 0.5000000 0.1442825 0.4932189), wk = 0.0018248 k( 290) = ( 0.5000000 0.1553812 0.4932189), wk = 0.0018248 k( 291) = ( 0.5000000 0.1664798 0.4932189), wk = 0.0018248 k( 292) = ( 0.5000000 0.1775785 0.4932189), wk = 0.0018248 k( 293) = ( 0.5000000 0.1886771 0.4932189), wk = 0.0018248 k( 294) = ( 0.5000000 0.1997758 0.4932189), wk = 0.0018248 k( 295) = ( 0.5000000 0.2108744 0.4932189), wk = 0.0018248 k( 296) = ( 0.5000000 0.2219731 0.4932189), wk = 0.0018248 k( 297) = ( 0.5000000 0.2330717 0.4932189), wk = 0.0018248 k( 298) = ( 0.5000000 0.2441704 0.4932189), wk = 0.0018248 k( 299) = ( 0.5000000 0.2552691 0.4932189), wk = 0.0018248 k( 300) = ( 0.5000000 0.2663677 0.4932189), wk = 0.0018248 k( 301) = ( 0.5000000 0.2774664 0.4932189), wk = 0.0018248 k( 302) = ( 0.5000000 0.2885650 0.4932189), wk = 0.0018248 k( 303) = ( 0.5000000 0.2996637 0.4932189), wk = 0.0018248 k( 304) = ( 0.5000000 0.3107623 0.4932189), wk = 0.0018248 k( 305) = ( 0.5000000 0.3218610 0.4932189), wk = 0.0018248 k( 306) = ( 0.5000000 0.3329596 0.4932189), wk = 0.0018248 k( 307) = ( 0.5000000 0.3440583 0.4932189), wk = 0.0018248 k( 308) = ( 0.5000000 0.3551570 0.4932189), wk = 0.0018248 k( 309) = ( 0.5000000 0.3662556 0.4932189), wk = 0.0018248 k( 310) = ( 0.5000000 0.3773543 0.4932189), wk = 0.0018248 k( 311) = ( 0.5000000 0.3884529 0.4932189), wk = 0.0018248 k( 312) = ( 0.5000000 0.3995516 0.4932189), wk = 0.0018248 k( 313) = ( 0.5000000 0.4106502 0.4932189), wk = 0.0018248 k( 314) = ( 0.5000000 0.4217489 0.4932189), wk = 0.0018248 k( 315) = ( 0.5000000 0.4328475 0.4932189), wk = 0.0018248 k( 316) = ( 0.5000000 0.4439462 0.4932189), wk = 0.0018248 k( 317) = ( 0.5000000 0.4550448 0.4932189), wk = 0.0018248 k( 318) = ( 0.5000000 0.4661435 0.4932189), wk = 0.0018248 k( 319) = ( 0.5000000 0.4772422 0.4932189), wk = 0.0018248 k( 320) = ( 0.5000000 0.4883408 0.4932189), wk = 0.0018248 k( 321) = ( 0.5000000 0.4994395 0.4932189), wk = 0.0018248 k( 322) = ( 0.5000000 0.4994395 0.4932189), wk = 0.0018248 k( 323) = ( 0.4888889 0.4994395 0.4932189), wk = 0.0018248 k( 324) = ( 0.4777778 0.4994395 0.4932189), wk = 0.0018248 k( 325) = ( 0.4666667 0.4994395 0.4932189), wk = 0.0018248 k( 326) = ( 0.4555556 0.4994395 0.4932189), wk = 0.0018248 k( 327) = ( 0.4444444 0.4994395 0.4932189), wk = 0.0018248 k( 328) = ( 0.4333333 0.4994395 0.4932189), wk = 0.0018248 k( 329) = ( 0.4222222 0.4994395 0.4932189), wk = 0.0018248 k( 330) = ( 0.4111111 0.4994395 0.4932189), wk = 0.0018248 k( 331) = ( 0.4000000 0.4994395 0.4932189), wk = 0.0018248 k( 332) = ( 0.3888889 0.4994395 0.4932189), wk = 0.0018248 k( 333) = ( 0.3777778 0.4994395 0.4932189), wk = 0.0018248 k( 334) = ( 0.3666667 0.4994395 0.4932189), wk = 0.0018248 k( 335) = ( 0.3555556 0.4994395 0.4932189), wk = 0.0018248 k( 336) = ( 0.3444444 0.4994395 0.4932189), wk = 0.0018248 k( 337) = ( 0.3333333 0.4994395 0.4932189), wk = 0.0018248 k( 338) = ( 0.3222222 0.4994395 0.4932189), wk = 0.0018248 k( 339) = ( 0.3111111 0.4994395 0.4932189), wk = 0.0018248 k( 340) = ( 0.3000000 0.4994395 0.4932189), wk = 0.0018248 k( 341) = ( 0.2888889 0.4994395 0.4932189), wk = 0.0018248 k( 342) = ( 0.2777778 0.4994395 0.4932189), wk = 0.0018248 k( 343) = ( 0.2666667 0.4994395 0.4932189), wk = 0.0018248 k( 344) = ( 0.2555556 0.4994395 0.4932189), wk = 0.0018248 k( 345) = ( 0.2444444 0.4994395 0.4932189), wk = 0.0018248 k( 346) = ( 0.2333333 0.4994395 0.4932189), wk = 0.0018248 k( 347) = ( 0.2222222 0.4994395 0.4932189), wk = 0.0018248 k( 348) = ( 0.2111111 0.4994395 0.4932189), wk = 0.0018248 k( 349) = ( 0.2000000 0.4994395 0.4932189), wk = 0.0018248 k( 350) = ( 0.1888889 0.4994395 0.4932189), wk = 0.0018248 k( 351) = ( 0.1777778 0.4994395 0.4932189), wk = 0.0018248 k( 352) = ( 0.1666667 0.4994395 0.4932189), wk = 0.0018248 k( 353) = ( 0.1555556 0.4994395 0.4932189), wk = 0.0018248 k( 354) = ( 0.1444444 0.4994395 0.4932189), wk = 0.0018248 k( 355) = ( 0.1333333 0.4994395 0.4932189), wk = 0.0018248 k( 356) = ( 0.1222222 0.4994395 0.4932189), wk = 0.0018248 k( 357) = ( 0.1111111 0.4994395 0.4932189), wk = 0.0018248 k( 358) = ( 0.1000000 0.4994395 0.4932189), wk = 0.0018248 k( 359) = ( 0.0888889 0.4994395 0.4932189), wk = 0.0018248 k( 360) = ( 0.0777778 0.4994395 0.4932189), wk = 0.0018248 k( 361) = ( 0.0666667 0.4994395 0.4932189), wk = 0.0018248 k( 362) = ( 0.0555556 0.4994395 0.4932189), wk = 0.0018248 k( 363) = ( 0.0444444 0.4994395 0.4932189), wk = 0.0018248 k( 364) = ( 0.0333333 0.4994395 0.4932189), wk = 0.0018248 k( 365) = ( 0.0222222 0.4994395 0.4932189), wk = 0.0018248 k( 366) = ( 0.0111111 0.4994395 0.4932189), wk = 0.0018248 k( 367) = ( 0.0000000 0.4994395 0.4932189), wk = 0.0018248 k( 368) = ( 0.0000000 0.4994395 0.4932189), wk = 0.0018248 k( 369) = ( 0.0000000 0.4883408 0.4932189), wk = 0.0018248 k( 370) = ( 0.0000000 0.4772422 0.4932189), wk = 0.0018248 k( 371) = ( 0.0000000 0.4661435 0.4932189), wk = 0.0018248 k( 372) = ( 0.0000000 0.4550448 0.4932189), wk = 0.0018248 k( 373) = ( 0.0000000 0.4439462 0.4932189), wk = 0.0018248 k( 374) = ( 0.0000000 0.4328475 0.4932189), wk = 0.0018248 k( 375) = ( 0.0000000 0.4217489 0.4932189), wk = 0.0018248 k( 376) = ( 0.0000000 0.4106502 0.4932189), wk = 0.0018248 k( 377) = ( 0.0000000 0.3995516 0.4932189), wk = 0.0018248 k( 378) = ( 0.0000000 0.3884529 0.4932189), wk = 0.0018248 k( 379) = ( 0.0000000 0.3773543 0.4932189), wk = 0.0018248 k( 380) = ( 0.0000000 0.3662556 0.4932189), wk = 0.0018248 k( 381) = ( 0.0000000 0.3551570 0.4932189), wk = 0.0018248 k( 382) = ( 0.0000000 0.3440583 0.4932189), wk = 0.0018248 k( 383) = ( 0.0000000 0.3329596 0.4932189), wk = 0.0018248 k( 384) = ( 0.0000000 0.3218610 0.4932189), wk = 0.0018248 k( 385) = ( 0.0000000 0.3107623 0.4932189), wk = 0.0018248 k( 386) = ( 0.0000000 0.2996637 0.4932189), wk = 0.0018248 k( 387) = ( 0.0000000 0.2885650 0.4932189), wk = 0.0018248 k( 388) = ( 0.0000000 0.2774664 0.4932189), wk = 0.0018248 k( 389) = ( 0.0000000 0.2663677 0.4932189), wk = 0.0018248 k( 390) = ( 0.0000000 0.2552691 0.4932189), wk = 0.0018248 k( 391) = ( 0.0000000 0.2441704 0.4932189), wk = 0.0018248 k( 392) = ( 0.0000000 0.2330717 0.4932189), wk = 0.0018248 k( 393) = ( 0.0000000 0.2219731 0.4932189), wk = 0.0018248 k( 394) = ( 0.0000000 0.2108744 0.4932189), wk = 0.0018248 k( 395) = ( 0.0000000 0.1997758 0.4932189), wk = 0.0018248 k( 396) = ( 0.0000000 0.1886771 0.4932189), wk = 0.0018248 k( 397) = ( 0.0000000 0.1775785 0.4932189), wk = 0.0018248 k( 398) = ( 0.0000000 0.1664798 0.4932189), wk = 0.0018248 k( 399) = ( 0.0000000 0.1553812 0.4932189), wk = 0.0018248 k( 400) = ( 0.0000000 0.1442825 0.4932189), wk = 0.0018248 k( 401) = ( 0.0000000 0.1331839 0.4932189), wk = 0.0018248 k( 402) = ( 0.0000000 0.1220852 0.4932189), wk = 0.0018248 k( 403) = ( 0.0000000 0.1109865 0.4932189), wk = 0.0018248 k( 404) = ( 0.0000000 0.0998879 0.4932189), wk = 0.0018248 k( 405) = ( 0.0000000 0.0887892 0.4932189), wk = 0.0018248 k( 406) = ( 0.0000000 0.0776906 0.4932189), wk = 0.0018248 k( 407) = ( 0.0000000 0.0665919 0.4932189), wk = 0.0018248 k( 408) = ( 0.0000000 0.0554933 0.4932189), wk = 0.0018248 k( 409) = ( 0.0000000 0.0443946 0.4932189), wk = 0.0018248 k( 410) = ( 0.0000000 0.0332960 0.4932189), wk = 0.0018248 k( 411) = ( 0.0000000 0.0221973 0.4932189), wk = 0.0018248 k( 412) = ( 0.0000000 0.0110987 0.4932189), wk = 0.0018248 k( 413) = ( 0.0000000 0.0000000 0.4932189), wk = 0.0018248 k( 414) = ( 0.0000000 0.4994395 -0.0000000), wk = 0.0018248 k( 415) = ( 0.0000000 0.4994395 0.0112095), wk = 0.0018248 k( 416) = ( 0.0000000 0.4994395 0.0224190), wk = 0.0018248 k( 417) = ( 0.0000000 0.4994395 0.0336286), wk = 0.0018248 k( 418) = ( 0.0000000 0.4994395 0.0448381), wk = 0.0018248 k( 419) = ( 0.0000000 0.4994395 0.0560476), wk = 0.0018248 k( 420) = ( 0.0000000 0.4994395 0.0672571), wk = 0.0018248 k( 421) = ( 0.0000000 0.4994395 0.0784666), wk = 0.0018248 k( 422) = ( 0.0000000 0.4994395 0.0896762), wk = 0.0018248 k( 423) = ( 0.0000000 0.4994395 0.1008857), wk = 0.0018248 k( 424) = ( 0.0000000 0.4994395 0.1120952), wk = 0.0018248 k( 425) = ( 0.0000000 0.4994395 0.1233047), wk = 0.0018248 k( 426) = ( 0.0000000 0.4994395 0.1345143), wk = 0.0018248 k( 427) = ( 0.0000000 0.4994395 0.1457238), wk = 0.0018248 k( 428) = ( 0.0000000 0.4994395 0.1569333), wk = 0.0018248 k( 429) = ( 0.0000000 0.4994395 0.1681428), wk = 0.0018248 k( 430) = ( 0.0000000 0.4994395 0.1793523), wk = 0.0018248 k( 431) = ( 0.0000000 0.4994395 0.1905619), wk = 0.0018248 k( 432) = ( 0.0000000 0.4994395 0.2017714), wk = 0.0018248 k( 433) = ( 0.0000000 0.4994395 0.2129809), wk = 0.0018248 k( 434) = ( 0.0000000 0.4994395 0.2241904), wk = 0.0018248 k( 435) = ( 0.0000000 0.4994395 0.2353999), wk = 0.0018248 k( 436) = ( 0.0000000 0.4994395 0.2466095), wk = 0.0018248 k( 437) = ( 0.0000000 0.4994395 0.2578190), wk = 0.0018248 k( 438) = ( 0.0000000 0.4994395 0.2690285), wk = 0.0018248 k( 439) = ( 0.0000000 0.4994395 0.2802380), wk = 0.0018248 k( 440) = ( 0.0000000 0.4994395 0.2914476), wk = 0.0018248 k( 441) = ( 0.0000000 0.4994395 0.3026571), wk = 0.0018248 k( 442) = ( 0.0000000 0.4994395 0.3138666), wk = 0.0018248 k( 443) = ( 0.0000000 0.4994395 0.3250761), wk = 0.0018248 k( 444) = ( 0.0000000 0.4994395 0.3362856), wk = 0.0018248 k( 445) = ( 0.0000000 0.4994395 0.3474952), wk = 0.0018248 k( 446) = ( 0.0000000 0.4994395 0.3587047), wk = 0.0018248 k( 447) = ( 0.0000000 0.4994395 0.3699142), wk = 0.0018248 k( 448) = ( 0.0000000 0.4994395 0.3811237), wk = 0.0018248 k( 449) = ( 0.0000000 0.4994395 0.3923332), wk = 0.0018248 k( 450) = ( 0.0000000 0.4994395 0.4035428), wk = 0.0018248 k( 451) = ( 0.0000000 0.4994395 0.4147523), wk = 0.0018248 k( 452) = ( 0.0000000 0.4994395 0.4259618), wk = 0.0018248 k( 453) = ( 0.0000000 0.4994395 0.4371713), wk = 0.0018248 k( 454) = ( 0.0000000 0.4994395 0.4483808), wk = 0.0018248 k( 455) = ( 0.0000000 0.4994395 0.4595904), wk = 0.0018248 k( 456) = ( 0.0000000 0.4994395 0.4707999), wk = 0.0018248 k( 457) = ( 0.0000000 0.4994395 0.4820094), wk = 0.0018248 k( 458) = ( 0.0000000 0.4994395 0.4932189), wk = 0.0018248 k( 459) = ( 0.5000000 -0.0000000 0.4932189), wk = 0.0018248 k( 460) = ( 0.5000000 -0.0000000 0.4820094), wk = 0.0018248 k( 461) = ( 0.5000000 -0.0000000 0.4707999), wk = 0.0018248 k( 462) = ( 0.5000000 -0.0000000 0.4595904), wk = 0.0018248 k( 463) = ( 0.5000000 -0.0000000 0.4483808), wk = 0.0018248 k( 464) = ( 0.5000000 -0.0000000 0.4371713), wk = 0.0018248 k( 465) = ( 0.5000000 -0.0000000 0.4259618), wk = 0.0018248 k( 466) = ( 0.5000000 -0.0000000 0.4147523), wk = 0.0018248 k( 467) = ( 0.5000000 -0.0000000 0.4035428), wk = 0.0018248 k( 468) = ( 0.5000000 -0.0000000 0.3923332), wk = 0.0018248 k( 469) = ( 0.5000000 -0.0000000 0.3811237), wk = 0.0018248 k( 470) = ( 0.5000000 -0.0000000 0.3699142), wk = 0.0018248 k( 471) = ( 0.5000000 -0.0000000 0.3587047), wk = 0.0018248 k( 472) = ( 0.5000000 -0.0000000 0.3474952), wk = 0.0018248 k( 473) = ( 0.5000000 -0.0000000 0.3362856), wk = 0.0018248 k( 474) = ( 0.5000000 -0.0000000 0.3250761), wk = 0.0018248 k( 475) = ( 0.5000000 -0.0000000 0.3138666), wk = 0.0018248 k( 476) = ( 0.5000000 -0.0000000 0.3026571), wk = 0.0018248 k( 477) = ( 0.5000000 -0.0000000 0.2914476), wk = 0.0018248 k( 478) = ( 0.5000000 -0.0000000 0.2802380), wk = 0.0018248 k( 479) = ( 0.5000000 -0.0000000 0.2690285), wk = 0.0018248 k( 480) = ( 0.5000000 -0.0000000 0.2578190), wk = 0.0018248 k( 481) = ( 0.5000000 -0.0000000 0.2466095), wk = 0.0018248 k( 482) = ( 0.5000000 -0.0000000 0.2353999), wk = 0.0018248 k( 483) = ( 0.5000000 -0.0000000 0.2241904), wk = 0.0018248 k( 484) = ( 0.5000000 -0.0000000 0.2129809), wk = 0.0018248 k( 485) = ( 0.5000000 -0.0000000 0.2017714), wk = 0.0018248 k( 486) = ( 0.5000000 -0.0000000 0.1905619), wk = 0.0018248 k( 487) = ( 0.5000000 -0.0000000 0.1793523), wk = 0.0018248 k( 488) = ( 0.5000000 -0.0000000 0.1681428), wk = 0.0018248 k( 489) = ( 0.5000000 -0.0000000 0.1569333), wk = 0.0018248 k( 490) = ( 0.5000000 -0.0000000 0.1457238), wk = 0.0018248 k( 491) = ( 0.5000000 -0.0000000 0.1345143), wk = 0.0018248 k( 492) = ( 0.5000000 -0.0000000 0.1233047), wk = 0.0018248 k( 493) = ( 0.5000000 -0.0000000 0.1120952), wk = 0.0018248 k( 494) = ( 0.5000000 -0.0000000 0.1008857), wk = 0.0018248 k( 495) = ( 0.5000000 -0.0000000 0.0896762), wk = 0.0018248 k( 496) = ( 0.5000000 -0.0000000 0.0784666), wk = 0.0018248 k( 497) = ( 0.5000000 -0.0000000 0.0672571), wk = 0.0018248 k( 498) = ( 0.5000000 -0.0000000 0.0560476), wk = 0.0018248 k( 499) = ( 0.5000000 -0.0000000 0.0448381), wk = 0.0018248 k( 500) = ( 0.5000000 -0.0000000 0.0336286), wk = 0.0018248 k( 501) = ( 0.5000000 -0.0000000 0.0224190), wk = 0.0018248 k( 502) = ( 0.5000000 -0.0000000 0.0112095), wk = 0.0018248 k( 503) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 504) = ( 0.5000000 0.4994395 -0.0000000), wk = 0.0018248 k( 505) = ( 0.5000000 0.4994395 0.0112095), wk = 0.0018248 k( 506) = ( 0.5000000 0.4994395 0.0224190), wk = 0.0018248 k( 507) = ( 0.5000000 0.4994395 0.0336286), wk = 0.0018248 k( 508) = ( 0.5000000 0.4994395 0.0448381), wk = 0.0018248 k( 509) = ( 0.5000000 0.4994395 0.0560476), wk = 0.0018248 k( 510) = ( 0.5000000 0.4994395 0.0672571), wk = 0.0018248 k( 511) = ( 0.5000000 0.4994395 0.0784666), wk = 0.0018248 k( 512) = ( 0.5000000 0.4994395 0.0896762), wk = 0.0018248 k( 513) = ( 0.5000000 0.4994395 0.1008857), wk = 0.0018248 k( 514) = ( 0.5000000 0.4994395 0.1120952), wk = 0.0018248 k( 515) = ( 0.5000000 0.4994395 0.1233047), wk = 0.0018248 k( 516) = ( 0.5000000 0.4994395 0.1345143), wk = 0.0018248 k( 517) = ( 0.5000000 0.4994395 0.1457238), wk = 0.0018248 k( 518) = ( 0.5000000 0.4994395 0.1569333), wk = 0.0018248 k( 519) = ( 0.5000000 0.4994395 0.1681428), wk = 0.0018248 k( 520) = ( 0.5000000 0.4994395 0.1793523), wk = 0.0018248 k( 521) = ( 0.5000000 0.4994395 0.1905619), wk = 0.0018248 k( 522) = ( 0.5000000 0.4994395 0.2017714), wk = 0.0018248 k( 523) = ( 0.5000000 0.4994395 0.2129809), wk = 0.0018248 k( 524) = ( 0.5000000 0.4994395 0.2241904), wk = 0.0018248 k( 525) = ( 0.5000000 0.4994395 0.2353999), wk = 0.0018248 k( 526) = ( 0.5000000 0.4994395 0.2466095), wk = 0.0018248 k( 527) = ( 0.5000000 0.4994395 0.2578190), wk = 0.0018248 k( 528) = ( 0.5000000 0.4994395 0.2690285), wk = 0.0018248 k( 529) = ( 0.5000000 0.4994395 0.2802380), wk = 0.0018248 k( 530) = ( 0.5000000 0.4994395 0.2914476), wk = 0.0018248 k( 531) = ( 0.5000000 0.4994395 0.3026571), wk = 0.0018248 k( 532) = ( 0.5000000 0.4994395 0.3138666), wk = 0.0018248 k( 533) = ( 0.5000000 0.4994395 0.3250761), wk = 0.0018248 k( 534) = ( 0.5000000 0.4994395 0.3362856), wk = 0.0018248 k( 535) = ( 0.5000000 0.4994395 0.3474952), wk = 0.0018248 k( 536) = ( 0.5000000 0.4994395 0.3587047), wk = 0.0018248 k( 537) = ( 0.5000000 0.4994395 0.3699142), wk = 0.0018248 k( 538) = ( 0.5000000 0.4994395 0.3811237), wk = 0.0018248 k( 539) = ( 0.5000000 0.4994395 0.3923332), wk = 0.0018248 k( 540) = ( 0.5000000 0.4994395 0.4035428), wk = 0.0018248 k( 541) = ( 0.5000000 0.4994395 0.4147523), wk = 0.0018248 k( 542) = ( 0.5000000 0.4994395 0.4259618), wk = 0.0018248 k( 543) = ( 0.5000000 0.4994395 0.4371713), wk = 0.0018248 k( 544) = ( 0.5000000 0.4994395 0.4483808), wk = 0.0018248 k( 545) = ( 0.5000000 0.4994395 0.4595904), wk = 0.0018248 k( 546) = ( 0.5000000 0.4994395 0.4707999), wk = 0.0018248 k( 547) = ( 0.5000000 0.4994395 0.4820094), wk = 0.0018248 k( 548) = ( 0.5000000 0.4994395 0.4932189), wk = 0.0018248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0018248 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0018248 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0018248 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0018248 k( 6) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0018248 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0018248 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0018248 k( 10) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0018248 k( 11) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0018248 k( 12) = ( 0.1222222 0.0000000 -0.0000000), wk = 0.0018248 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0018248 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0018248 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0018248 k( 16) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0018248 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0018248 k( 18) = ( 0.1888889 0.0000000 -0.0000000), wk = 0.0018248 k( 19) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0018248 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0018248 k( 21) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0018248 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0018248 k( 23) = ( 0.2444444 0.0000000 -0.0000000), wk = 0.0018248 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0018248 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0018248 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0018248 k( 27) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0018248 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0018248 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0018248 k( 30) = ( 0.3222222 -0.0000000 0.0000000), wk = 0.0018248 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0018248 k( 32) = ( 0.3444444 0.0000000 -0.0000000), wk = 0.0018248 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0018248 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0018248 k( 35) = ( 0.3777778 0.0000000 -0.0000000), wk = 0.0018248 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0018248 k( 37) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0018248 k( 38) = ( 0.4111111 0.0000000 -0.0000000), wk = 0.0018248 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0018248 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0018248 k( 41) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0018248 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0018248 k( 43) = ( 0.4666667 0.0000000 -0.0000000), wk = 0.0018248 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0018248 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018248 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018248 k( 48) = ( 0.5000000 0.0111111 -0.0000000), wk = 0.0018248 k( 49) = ( 0.5000000 0.0222222 0.0000000), wk = 0.0018248 k( 50) = ( 0.5000000 0.0333333 0.0000000), wk = 0.0018248 k( 51) = ( 0.5000000 0.0444444 0.0000000), wk = 0.0018248 k( 52) = ( 0.5000000 0.0555556 0.0000000), wk = 0.0018248 k( 53) = ( 0.5000000 0.0666667 0.0000000), wk = 0.0018248 k( 54) = ( 0.5000000 0.0777778 0.0000000), wk = 0.0018248 k( 55) = ( 0.5000000 0.0888889 0.0000000), wk = 0.0018248 k( 56) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0018248 k( 57) = ( 0.5000000 0.1111111 0.0000000), wk = 0.0018248 k( 58) = ( 0.5000000 0.1222222 0.0000000), wk = 0.0018248 k( 59) = ( 0.5000000 0.1333333 0.0000000), wk = 0.0018248 k( 60) = ( 0.5000000 0.1444444 -0.0000000), wk = 0.0018248 k( 61) = ( 0.5000000 0.1555556 0.0000000), wk = 0.0018248 k( 62) = ( 0.5000000 0.1666667 -0.0000000), wk = 0.0018248 k( 63) = ( 0.5000000 0.1777778 0.0000000), wk = 0.0018248 k( 64) = ( 0.5000000 0.1888889 0.0000000), wk = 0.0018248 k( 65) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0018248 k( 66) = ( 0.5000000 0.2111111 0.0000000), wk = 0.0018248 k( 67) = ( 0.5000000 0.2222222 0.0000000), wk = 0.0018248 k( 68) = ( 0.5000000 0.2333333 0.0000000), wk = 0.0018248 k( 69) = ( 0.5000000 0.2444444 0.0000000), wk = 0.0018248 k( 70) = ( 0.5000000 0.2555556 0.0000000), wk = 0.0018248 k( 71) = ( 0.5000000 0.2666667 -0.0000000), wk = 0.0018248 k( 72) = ( 0.5000000 0.2777778 0.0000000), wk = 0.0018248 k( 73) = ( 0.5000000 0.2888889 -0.0000000), wk = 0.0018248 k( 74) = ( 0.5000000 0.3000000 0.0000000), wk = 0.0018248 k( 75) = ( 0.5000000 0.3111111 0.0000000), wk = 0.0018248 k( 76) = ( 0.5000000 0.3222222 0.0000000), wk = 0.0018248 k( 77) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0018248 k( 78) = ( 0.5000000 0.3444444 0.0000000), wk = 0.0018248 k( 79) = ( 0.5000000 0.3555556 -0.0000000), wk = 0.0018248 k( 80) = ( 0.5000000 0.3666667 0.0000000), wk = 0.0018248 k( 81) = ( 0.5000000 0.3777778 0.0000000), wk = 0.0018248 k( 82) = ( 0.5000000 0.3888889 0.0000000), wk = 0.0018248 k( 83) = ( 0.5000000 0.4000000 0.0000000), wk = 0.0018248 k( 84) = ( 0.5000000 0.4111111 0.0000000), wk = 0.0018248 k( 85) = ( 0.5000000 0.4222222 0.0000000), wk = 0.0018248 k( 86) = ( 0.5000000 0.4333333 0.0000000), wk = 0.0018248 k( 87) = ( 0.5000000 0.4444444 0.0000000), wk = 0.0018248 k( 88) = ( 0.5000000 0.4555556 0.0000000), wk = 0.0018248 k( 89) = ( 0.5000000 0.4666667 0.0000000), wk = 0.0018248 k( 90) = ( 0.5000000 0.4777778 0.0000000), wk = 0.0018248 k( 91) = ( 0.5000000 0.4888889 0.0000000), wk = 0.0018248 k( 92) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018248 k( 93) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018248 k( 94) = ( 0.4888889 0.5000000 0.0000000), wk = 0.0018248 k( 95) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0018248 k( 96) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0018248 k( 97) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0018248 k( 98) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0018248 k( 99) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0018248 k( 100) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0018248 k( 101) = ( 0.4111111 0.5000000 0.0000000), wk = 0.0018248 k( 102) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0018248 k( 103) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0018248 k( 104) = ( 0.3777778 0.5000000 0.0000000), wk = 0.0018248 k( 105) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0018248 k( 106) = ( 0.3555556 0.5000000 0.0000000), wk = 0.0018248 k( 107) = ( 0.3444444 0.5000000 0.0000000), wk = 0.0018248 k( 108) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0018248 k( 109) = ( 0.3222222 0.5000000 0.0000000), wk = 0.0018248 k( 110) = ( 0.3111111 0.5000000 0.0000000), wk = 0.0018248 k( 111) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0018248 k( 112) = ( 0.2888889 0.5000000 0.0000000), wk = 0.0018248 k( 113) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0018248 k( 114) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0018248 k( 115) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0018248 k( 116) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0018248 k( 117) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0018248 k( 118) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0018248 k( 119) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0018248 k( 120) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0018248 k( 121) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0018248 k( 122) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0018248 k( 123) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0018248 k( 124) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0018248 k( 125) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0018248 k( 126) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0018248 k( 127) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0018248 k( 128) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0018248 k( 129) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0018248 k( 130) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0018248 k( 131) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0018248 k( 132) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0018248 k( 133) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0018248 k( 134) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0018248 k( 135) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0018248 k( 136) = ( 0.0222222 0.5000000 0.0000000), wk = 0.0018248 k( 137) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0018248 k( 138) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018248 k( 139) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018248 k( 140) = ( 0.0000000 0.4888889 0.0000000), wk = 0.0018248 k( 141) = ( 0.0000000 0.4777778 0.0000000), wk = 0.0018248 k( 142) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0018248 k( 143) = ( 0.0000000 0.4555556 0.0000000), wk = 0.0018248 k( 144) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0018248 k( 145) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0018248 k( 146) = ( 0.0000000 0.4222222 0.0000000), wk = 0.0018248 k( 147) = ( 0.0000000 0.4111111 0.0000000), wk = 0.0018248 k( 148) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0018248 k( 149) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0018248 k( 150) = ( 0.0000000 0.3777778 0.0000000), wk = 0.0018248 k( 151) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0018248 k( 152) = ( 0.0000000 0.3555556 0.0000000), wk = 0.0018248 k( 153) = ( 0.0000000 0.3444444 0.0000000), wk = 0.0018248 k( 154) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0018248 k( 155) = ( 0.0000000 0.3222222 0.0000000), wk = 0.0018248 k( 156) = ( 0.0000000 0.3111111 0.0000000), wk = 0.0018248 k( 157) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0018248 k( 158) = ( 0.0000000 0.2888889 0.0000000), wk = 0.0018248 k( 159) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0018248 k( 160) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0018248 k( 161) = ( 0.0000000 0.2555556 0.0000000), wk = 0.0018248 k( 162) = ( 0.0000000 0.2444444 0.0000000), wk = 0.0018248 k( 163) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0018248 k( 164) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0018248 k( 165) = ( 0.0000000 0.2111111 0.0000000), wk = 0.0018248 k( 166) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0018248 k( 167) = ( 0.0000000 0.1888889 0.0000000), wk = 0.0018248 k( 168) = ( 0.0000000 0.1777778 0.0000000), wk = 0.0018248 k( 169) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0018248 k( 170) = ( 0.0000000 0.1555556 0.0000000), wk = 0.0018248 k( 171) = ( 0.0000000 0.1444444 0.0000000), wk = 0.0018248 k( 172) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0018248 k( 173) = ( 0.0000000 0.1222222 0.0000000), wk = 0.0018248 k( 174) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0018248 k( 175) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0018248 k( 176) = ( 0.0000000 0.0888889 0.0000000), wk = 0.0018248 k( 177) = ( 0.0000000 0.0777778 0.0000000), wk = 0.0018248 k( 178) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0018248 k( 179) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0018248 k( 180) = ( 0.0000000 0.0444444 0.0000000), wk = 0.0018248 k( 181) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0018248 k( 182) = ( 0.0000000 0.0222222 0.0000000), wk = 0.0018248 k( 183) = ( 0.0000000 0.0111111 0.0000000), wk = 0.0018248 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 186) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0018248 k( 187) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0018248 k( 188) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0018248 k( 189) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0018248 k( 190) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0018248 k( 191) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0018248 k( 192) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0018248 k( 193) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0018248 k( 194) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0018248 k( 195) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0018248 k( 196) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0018248 k( 197) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0018248 k( 198) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0018248 k( 199) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0018248 k( 200) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0018248 k( 201) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0018248 k( 202) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0018248 k( 203) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0018248 k( 204) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0018248 k( 205) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0018248 k( 206) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0018248 k( 207) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0018248 k( 208) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0018248 k( 209) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0018248 k( 210) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0018248 k( 211) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0018248 k( 212) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0018248 k( 213) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0018248 k( 214) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0018248 k( 215) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0018248 k( 216) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0018248 k( 217) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0018248 k( 218) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0018248 k( 219) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0018248 k( 220) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0018248 k( 221) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0018248 k( 222) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0018248 k( 223) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0018248 k( 224) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0018248 k( 225) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0018248 k( 226) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0018248 k( 227) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0018248 k( 228) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0018248 k( 229) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 230) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 231) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0018248 k( 232) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0018248 k( 233) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0018248 k( 234) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0018248 k( 235) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0018248 k( 236) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0018248 k( 237) = ( 0.0777778 -0.0000000 0.5000000), wk = 0.0018248 k( 238) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0018248 k( 239) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0018248 k( 240) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0018248 k( 241) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0018248 k( 242) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0018248 k( 243) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0018248 k( 244) = ( 0.1555556 -0.0000000 0.5000000), wk = 0.0018248 k( 245) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0018248 k( 246) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0018248 k( 247) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0018248 k( 248) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0018248 k( 249) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0018248 k( 250) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0018248 k( 251) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0018248 k( 252) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0018248 k( 253) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0018248 k( 254) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0018248 k( 255) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0018248 k( 256) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0018248 k( 257) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0018248 k( 258) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0018248 k( 259) = ( 0.3222222 -0.0000000 0.5000000), wk = 0.0018248 k( 260) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0018248 k( 261) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0018248 k( 262) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0018248 k( 263) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0018248 k( 264) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0018248 k( 265) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0018248 k( 266) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0018248 k( 267) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0018248 k( 268) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0018248 k( 269) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0018248 k( 270) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0018248 k( 271) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0018248 k( 272) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0018248 k( 273) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0018248 k( 274) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0018248 k( 275) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018248 k( 276) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018248 k( 277) = ( 0.5000000 0.0111111 0.5000000), wk = 0.0018248 k( 278) = ( 0.5000000 0.0222222 0.5000000), wk = 0.0018248 k( 279) = ( 0.5000000 0.0333333 0.5000000), wk = 0.0018248 k( 280) = ( 0.5000000 0.0444444 0.5000000), wk = 0.0018248 k( 281) = ( 0.5000000 0.0555556 0.5000000), wk = 0.0018248 k( 282) = ( 0.5000000 0.0666667 0.5000000), wk = 0.0018248 k( 283) = ( 0.5000000 0.0777778 0.5000000), wk = 0.0018248 k( 284) = ( 0.5000000 0.0888889 0.5000000), wk = 0.0018248 k( 285) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0018248 k( 286) = ( 0.5000000 0.1111111 0.5000000), wk = 0.0018248 k( 287) = ( 0.5000000 0.1222222 0.5000000), wk = 0.0018248 k( 288) = ( 0.5000000 0.1333333 0.5000000), wk = 0.0018248 k( 289) = ( 0.5000000 0.1444444 0.5000000), wk = 0.0018248 k( 290) = ( 0.5000000 0.1555556 0.5000000), wk = 0.0018248 k( 291) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0018248 k( 292) = ( 0.5000000 0.1777778 0.5000000), wk = 0.0018248 k( 293) = ( 0.5000000 0.1888889 0.5000000), wk = 0.0018248 k( 294) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0018248 k( 295) = ( 0.5000000 0.2111111 0.5000000), wk = 0.0018248 k( 296) = ( 0.5000000 0.2222222 0.5000000), wk = 0.0018248 k( 297) = ( 0.5000000 0.2333333 0.5000000), wk = 0.0018248 k( 298) = ( 0.5000000 0.2444444 0.5000000), wk = 0.0018248 k( 299) = ( 0.5000000 0.2555556 0.5000000), wk = 0.0018248 k( 300) = ( 0.5000000 0.2666667 0.5000000), wk = 0.0018248 k( 301) = ( 0.5000000 0.2777778 0.5000000), wk = 0.0018248 k( 302) = ( 0.5000000 0.2888889 0.5000000), wk = 0.0018248 k( 303) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0018248 k( 304) = ( 0.5000000 0.3111111 0.5000000), wk = 0.0018248 k( 305) = ( 0.5000000 0.3222222 0.5000000), wk = 0.0018248 k( 306) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0018248 k( 307) = ( 0.5000000 0.3444444 0.5000000), wk = 0.0018248 k( 308) = ( 0.5000000 0.3555556 0.5000000), wk = 0.0018248 k( 309) = ( 0.5000000 0.3666667 0.5000000), wk = 0.0018248 k( 310) = ( 0.5000000 0.3777778 0.5000000), wk = 0.0018248 k( 311) = ( 0.5000000 0.3888889 0.5000000), wk = 0.0018248 k( 312) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0018248 k( 313) = ( 0.5000000 0.4111111 0.5000000), wk = 0.0018248 k( 314) = ( 0.5000000 0.4222222 0.5000000), wk = 0.0018248 k( 315) = ( 0.5000000 0.4333333 0.5000000), wk = 0.0018248 k( 316) = ( 0.5000000 0.4444444 0.5000000), wk = 0.0018248 k( 317) = ( 0.5000000 0.4555556 0.5000000), wk = 0.0018248 k( 318) = ( 0.5000000 0.4666667 0.5000000), wk = 0.0018248 k( 319) = ( 0.5000000 0.4777778 0.5000000), wk = 0.0018248 k( 320) = ( 0.5000000 0.4888889 0.5000000), wk = 0.0018248 k( 321) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 322) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 323) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0018248 k( 324) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0018248 k( 325) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0018248 k( 326) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0018248 k( 327) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0018248 k( 328) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0018248 k( 329) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0018248 k( 330) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0018248 k( 331) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0018248 k( 332) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0018248 k( 333) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0018248 k( 334) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0018248 k( 335) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0018248 k( 336) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0018248 k( 337) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0018248 k( 338) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0018248 k( 339) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0018248 k( 340) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0018248 k( 341) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0018248 k( 342) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0018248 k( 343) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0018248 k( 344) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0018248 k( 345) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0018248 k( 346) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0018248 k( 347) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0018248 k( 348) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0018248 k( 349) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0018248 k( 350) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0018248 k( 351) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0018248 k( 352) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0018248 k( 353) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0018248 k( 354) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0018248 k( 355) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0018248 k( 356) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0018248 k( 357) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0018248 k( 358) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0018248 k( 359) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0018248 k( 360) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0018248 k( 361) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0018248 k( 362) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0018248 k( 363) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0018248 k( 364) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0018248 k( 365) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0018248 k( 366) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0018248 k( 367) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 368) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 369) = ( 0.0000000 0.4888889 0.5000000), wk = 0.0018248 k( 370) = ( 0.0000000 0.4777778 0.5000000), wk = 0.0018248 k( 371) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0018248 k( 372) = ( 0.0000000 0.4555556 0.5000000), wk = 0.0018248 k( 373) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0018248 k( 374) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0018248 k( 375) = ( 0.0000000 0.4222222 0.5000000), wk = 0.0018248 k( 376) = ( 0.0000000 0.4111111 0.5000000), wk = 0.0018248 k( 377) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0018248 k( 378) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0018248 k( 379) = ( 0.0000000 0.3777778 0.5000000), wk = 0.0018248 k( 380) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0018248 k( 381) = ( 0.0000000 0.3555556 0.5000000), wk = 0.0018248 k( 382) = ( 0.0000000 0.3444444 0.5000000), wk = 0.0018248 k( 383) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0018248 k( 384) = ( 0.0000000 0.3222222 0.5000000), wk = 0.0018248 k( 385) = ( 0.0000000 0.3111111 0.5000000), wk = 0.0018248 k( 386) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0018248 k( 387) = ( 0.0000000 0.2888889 0.5000000), wk = 0.0018248 k( 388) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0018248 k( 389) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0018248 k( 390) = ( 0.0000000 0.2555556 0.5000000), wk = 0.0018248 k( 391) = ( 0.0000000 0.2444444 0.5000000), wk = 0.0018248 k( 392) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0018248 k( 393) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0018248 k( 394) = ( 0.0000000 0.2111111 0.5000000), wk = 0.0018248 k( 395) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0018248 k( 396) = ( 0.0000000 0.1888889 0.5000000), wk = 0.0018248 k( 397) = ( 0.0000000 0.1777778 0.5000000), wk = 0.0018248 k( 398) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0018248 k( 399) = ( 0.0000000 0.1555556 0.5000000), wk = 0.0018248 k( 400) = ( 0.0000000 0.1444444 0.5000000), wk = 0.0018248 k( 401) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0018248 k( 402) = ( 0.0000000 0.1222222 0.5000000), wk = 0.0018248 k( 403) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0018248 k( 404) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0018248 k( 405) = ( 0.0000000 0.0888889 0.5000000), wk = 0.0018248 k( 406) = ( 0.0000000 0.0777778 0.5000000), wk = 0.0018248 k( 407) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0018248 k( 408) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0018248 k( 409) = ( 0.0000000 0.0444444 0.5000000), wk = 0.0018248 k( 410) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0018248 k( 411) = ( 0.0000000 0.0222222 0.5000000), wk = 0.0018248 k( 412) = ( 0.0000000 0.0111111 0.5000000), wk = 0.0018248 k( 413) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 414) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018248 k( 415) = ( 0.0000000 0.5000000 0.0113636), wk = 0.0018248 k( 416) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0018248 k( 417) = ( 0.0000000 0.5000000 0.0340909), wk = 0.0018248 k( 418) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0018248 k( 419) = ( 0.0000000 0.5000000 0.0568182), wk = 0.0018248 k( 420) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0018248 k( 421) = ( 0.0000000 0.5000000 0.0795455), wk = 0.0018248 k( 422) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0018248 k( 423) = ( 0.0000000 0.5000000 0.1022727), wk = 0.0018248 k( 424) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0018248 k( 425) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0018248 k( 426) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0018248 k( 427) = ( 0.0000000 0.5000000 0.1477273), wk = 0.0018248 k( 428) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0018248 k( 429) = ( 0.0000000 0.5000000 0.1704546), wk = 0.0018248 k( 430) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0018248 k( 431) = ( 0.0000000 0.5000000 0.1931818), wk = 0.0018248 k( 432) = ( 0.0000000 0.5000000 0.2045455), wk = 0.0018248 k( 433) = ( 0.0000000 0.5000000 0.2159091), wk = 0.0018248 k( 434) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0018248 k( 435) = ( 0.0000000 0.5000000 0.2386364), wk = 0.0018248 k( 436) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0018248 k( 437) = ( 0.0000000 0.5000000 0.2613636), wk = 0.0018248 k( 438) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0018248 k( 439) = ( 0.0000000 0.5000000 0.2840909), wk = 0.0018248 k( 440) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0018248 k( 441) = ( 0.0000000 0.5000000 0.3068182), wk = 0.0018248 k( 442) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0018248 k( 443) = ( 0.0000000 0.5000000 0.3295455), wk = 0.0018248 k( 444) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0018248 k( 445) = ( 0.0000000 0.5000000 0.3522727), wk = 0.0018248 k( 446) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0018248 k( 447) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0018248 k( 448) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0018248 k( 449) = ( 0.0000000 0.5000000 0.3977273), wk = 0.0018248 k( 450) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0018248 k( 451) = ( 0.0000000 0.5000000 0.4204545), wk = 0.0018248 k( 452) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0018248 k( 453) = ( 0.0000000 0.5000000 0.4431818), wk = 0.0018248 k( 454) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0018248 k( 455) = ( 0.0000000 0.5000000 0.4659091), wk = 0.0018248 k( 456) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0018248 k( 457) = ( 0.0000000 0.5000000 0.4886364), wk = 0.0018248 k( 458) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 459) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018248 k( 460) = ( 0.5000000 0.0000000 0.4886364), wk = 0.0018248 k( 461) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0018248 k( 462) = ( 0.5000000 0.0000000 0.4659091), wk = 0.0018248 k( 463) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0018248 k( 464) = ( 0.5000000 0.0000000 0.4431818), wk = 0.0018248 k( 465) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0018248 k( 466) = ( 0.5000000 0.0000000 0.4204545), wk = 0.0018248 k( 467) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0018248 k( 468) = ( 0.5000000 0.0000000 0.3977273), wk = 0.0018248 k( 469) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0018248 k( 470) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0018248 k( 471) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0018248 k( 472) = ( 0.5000000 0.0000000 0.3522727), wk = 0.0018248 k( 473) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0018248 k( 474) = ( 0.5000000 0.0000000 0.3295455), wk = 0.0018248 k( 475) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0018248 k( 476) = ( 0.5000000 0.0000000 0.3068182), wk = 0.0018248 k( 477) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0018248 k( 478) = ( 0.5000000 0.0000000 0.2840909), wk = 0.0018248 k( 479) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0018248 k( 480) = ( 0.5000000 0.0000000 0.2613636), wk = 0.0018248 k( 481) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0018248 k( 482) = ( 0.5000000 0.0000000 0.2386364), wk = 0.0018248 k( 483) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0018248 k( 484) = ( 0.5000000 0.0000000 0.2159091), wk = 0.0018248 k( 485) = ( 0.5000000 0.0000000 0.2045455), wk = 0.0018248 k( 486) = ( 0.5000000 0.0000000 0.1931818), wk = 0.0018248 k( 487) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0018248 k( 488) = ( 0.5000000 0.0000000 0.1704546), wk = 0.0018248 k( 489) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0018248 k( 490) = ( 0.5000000 0.0000000 0.1477273), wk = 0.0018248 k( 491) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0018248 k( 492) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0018248 k( 493) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0018248 k( 494) = ( 0.5000000 0.0000000 0.1022727), wk = 0.0018248 k( 495) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0018248 k( 496) = ( 0.5000000 0.0000000 0.0795455), wk = 0.0018248 k( 497) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0018248 k( 498) = ( 0.5000000 0.0000000 0.0568182), wk = 0.0018248 k( 499) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0018248 k( 500) = ( 0.5000000 0.0000000 0.0340909), wk = 0.0018248 k( 501) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0018248 k( 502) = ( 0.5000000 0.0000000 0.0113636), wk = 0.0018248 k( 503) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018248 k( 504) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018248 k( 505) = ( 0.5000000 0.5000000 0.0113636), wk = 0.0018248 k( 506) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0018248 k( 507) = ( 0.5000000 0.5000000 0.0340909), wk = 0.0018248 k( 508) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0018248 k( 509) = ( 0.5000000 0.5000000 0.0568182), wk = 0.0018248 k( 510) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0018248 k( 511) = ( 0.5000000 0.5000000 0.0795455), wk = 0.0018248 k( 512) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0018248 k( 513) = ( 0.5000000 0.5000000 0.1022727), wk = 0.0018248 k( 514) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0018248 k( 515) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0018248 k( 516) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0018248 k( 517) = ( 0.5000000 0.5000000 0.1477273), wk = 0.0018248 k( 518) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0018248 k( 519) = ( 0.5000000 0.5000000 0.1704546), wk = 0.0018248 k( 520) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0018248 k( 521) = ( 0.5000000 0.5000000 0.1931818), wk = 0.0018248 k( 522) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0018248 k( 523) = ( 0.5000000 0.5000000 0.2159091), wk = 0.0018248 k( 524) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0018248 k( 525) = ( 0.5000000 0.5000000 0.2386364), wk = 0.0018248 k( 526) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0018248 k( 527) = ( 0.5000000 0.5000000 0.2613636), wk = 0.0018248 k( 528) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0018248 k( 529) = ( 0.5000000 0.5000000 0.2840909), wk = 0.0018248 k( 530) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0018248 k( 531) = ( 0.5000000 0.5000000 0.3068182), wk = 0.0018248 k( 532) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0018248 k( 533) = ( 0.5000000 0.5000000 0.3295455), wk = 0.0018248 k( 534) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0018248 k( 535) = ( 0.5000000 0.5000000 0.3522727), wk = 0.0018248 k( 536) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0018248 k( 537) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0018248 k( 538) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0018248 k( 539) = ( 0.5000000 0.5000000 0.3977273), wk = 0.0018248 k( 540) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0018248 k( 541) = ( 0.5000000 0.5000000 0.4204545), wk = 0.0018248 k( 542) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0018248 k( 543) = ( 0.5000000 0.5000000 0.4431818), wk = 0.0018248 k( 544) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0018248 k( 545) = ( 0.5000000 0.5000000 0.4659091), wk = 0.0018248 k( 546) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0018248 k( 547) = ( 0.5000000 0.5000000 0.4886364), wk = 0.0018248 k( 548) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 Dense grid: 31031 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 12197 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 68, 40) NL pseudopotentials 0.06 Mb ( 34, 112) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 649) G-vector shells 0.00 Mb ( 337) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 68, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.14 Mb ( 112, 2, 40) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./BC2N.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 41.9 secs Computing kpt #: 2 total cpu time spent up to now is 42.7 secs Computing kpt #: 3 total cpu time spent up to now is 44.6 secs Computing kpt #: 4 total cpu time spent up to now is 45.3 secs Computing kpt #: 5 total cpu time spent up to now is 46.0 secs Computing kpt #: 6 total cpu time spent up to now is 46.7 secs Computing kpt #: 7 total cpu time spent up to now is 47.8 secs Computing kpt #: 8 total cpu time spent up to now is 48.4 secs Computing kpt #: 9 total cpu time spent up to now is 49.1 secs Computing kpt #: 10 total cpu time spent up to now is 49.8 secs Computing kpt #: 11 total cpu time spent up to now is 50.6 secs Computing kpt #: 12 total cpu time spent up to now is 51.4 secs Computing kpt #: 13 total cpu time spent up to now is 52.2 secs Computing kpt #: 14 total cpu time spent up to now is 53.0 secs Computing kpt #: 15 total cpu time spent up to now is 53.8 secs Computing kpt #: 16 total cpu time spent up to now is 54.6 secs Computing kpt #: 17 total cpu time spent up to now is 55.5 secs Computing kpt #: 18 total cpu time spent up to now is 56.5 secs Computing kpt #: 19 total cpu time spent up to now is 57.5 secs Computing kpt #: 20 total cpu time spent up to now is 58.6 secs Computing kpt #: 21 total cpu time spent up to now is 59.4 secs Computing kpt #: 22 total cpu time spent up to now is 60.3 secs Computing kpt #: 23 total cpu time spent up to now is 61.2 secs Computing kpt #: 24 total cpu time spent up to now is 62.1 secs Computing kpt #: 25 total cpu time spent up to now is 62.9 secs Computing kpt #: 26 total cpu time spent up to now is 63.8 secs Computing kpt #: 27 total cpu time spent up to now is 64.7 secs Computing kpt #: 28 total cpu time spent up to now is 65.5 secs Computing kpt #: 29 total cpu time spent up to now is 66.3 secs Computing kpt #: 30 total cpu time spent up to now is 67.1 secs Computing kpt #: 31 total cpu time spent up to now is 67.8 secs Computing kpt #: 32 total cpu time spent up to now is 69.9 secs Computing kpt #: 33 total cpu time spent up to now is 70.7 secs Computing kpt #: 34 total cpu time spent up to now is 71.5 secs Computing kpt #: 35 total cpu time spent up to now is 72.3 secs Computing kpt #: 36 total cpu time spent up to now is 73.5 secs Computing kpt #: 37 total cpu time spent up to now is 74.3 secs Computing kpt #: 38 total cpu time spent up to now is 75.2 secs Computing kpt #: 39 total cpu time spent up to now is 76.1 secs Computing kpt #: 40 total cpu time spent up to now is 77.0 secs Computing kpt #: 41 total cpu time spent up to now is 78.0 secs Computing kpt #: 42 total cpu time spent up to now is 79.3 secs Computing kpt #: 43 total cpu time spent up to now is 80.5 secs Computing kpt #: 44 total cpu time spent up to now is 81.4 secs Computing kpt #: 45 total cpu time spent up to now is 82.3 secs Computing kpt #: 46 total cpu time spent up to now is 83.1 secs Computing kpt #: 47 total cpu time spent up to now is 83.9 secs Computing kpt #: 48 total cpu time spent up to now is 84.7 secs Computing kpt #: 49 total cpu time spent up to now is 85.4 secs Computing kpt #: 50 total cpu time spent up to now is 86.2 secs Computing kpt #: 51 total cpu time spent up to now is 87.0 secs Computing kpt #: 52 total cpu time spent up to now is 87.8 secs Computing kpt #: 53 total cpu time spent up to now is 88.6 secs Computing kpt #: 54 total cpu time spent up to now is 89.3 secs Computing kpt #: 55 total cpu time spent up to now is 90.0 secs Computing kpt #: 56 total cpu time spent up to now is 90.8 secs Computing kpt #: 57 total cpu time spent up to now is 91.6 secs Computing kpt #: 58 total cpu time spent up to now is 92.4 secs Computing kpt #: 59 total cpu time spent up to now is 93.2 secs Computing kpt #: 60 total cpu time spent up to now is 93.9 secs Computing kpt #: 61 total cpu time spent up to now is 94.7 secs Computing kpt #: 62 total cpu time spent up to now is 95.5 secs Computing kpt #: 63 total cpu time spent up to now is 96.2 secs Computing kpt #: 64 total cpu time spent up to now is 97.0 secs Computing kpt #: 65 total cpu time spent up to now is 97.7 secs Computing kpt #: 66 total cpu time spent up to now is 98.4 secs Computing kpt #: 67 total cpu time spent up to now is 99.1 secs Computing kpt #: 68 total cpu time spent up to now is 99.7 secs Computing kpt #: 69 total cpu time spent up to now is 100.4 secs Computing kpt #: 70 total cpu time spent up to now is 101.1 secs Computing kpt #: 71 total cpu time spent up to now is 101.7 secs Computing kpt #: 72 total cpu time spent up to now is 102.4 secs Computing kpt #: 73 total cpu time spent up to now is 103.1 secs Computing kpt #: 74 total cpu time spent up to now is 103.7 secs Computing kpt #: 75 total cpu time spent up to now is 104.4 secs Computing kpt #: 76 total cpu time spent up to now is 105.1 secs Computing kpt #: 77 total cpu time spent up to now is 105.7 secs Computing kpt #: 78 total cpu time spent up to now is 106.5 secs Computing kpt #: 79 total cpu time spent up to now is 107.2 secs Computing kpt #: 80 total cpu time spent up to now is 108.0 secs Computing kpt #: 81 total cpu time spent up to now is 108.7 secs Computing kpt #: 82 total cpu time spent up to now is 109.5 secs Computing kpt #: 83 total cpu time spent up to now is 110.2 secs Computing kpt #: 84 total cpu time spent up to now is 111.0 secs Computing kpt #: 85 total cpu time spent up to now is 111.8 secs Computing kpt #: 86 total cpu time spent up to now is 112.5 secs Computing kpt #: 87 total cpu time spent up to now is 113.3 secs Computing kpt #: 88 total cpu time spent up to now is 114.0 secs Computing kpt #: 89 total cpu time spent up to now is 114.9 secs Computing kpt #: 90 total cpu time spent up to now is 115.6 secs Computing kpt #: 91 total cpu time spent up to now is 116.4 secs Computing kpt #: 92 total cpu time spent up to now is 117.3 secs Computing kpt #: 93 total cpu time spent up to now is 118.1 secs Computing kpt #: 94 total cpu time spent up to now is 118.9 secs Computing kpt #: 95 total cpu time spent up to now is 119.6 secs Computing kpt #: 96 total cpu time spent up to now is 120.4 secs Computing kpt #: 97 total cpu time spent up to now is 121.3 secs Computing kpt #: 98 total cpu time spent up to now is 122.0 secs Computing kpt #: 99 total cpu time spent up to now is 122.7 secs Computing kpt #: 100 total cpu time spent up to now is 123.5 secs Computing kpt #: 101 total cpu time spent up to now is 124.3 secs Computing kpt #: 102 total cpu time spent up to now is 124.9 secs Computing kpt #: 103 total cpu time spent up to now is 125.6 secs Computing kpt #: 104 total cpu time spent up to now is 126.2 secs Computing kpt #: 105 total cpu time spent up to now is 126.9 secs Computing kpt #: 106 total cpu time spent up to now is 127.5 secs Computing kpt #: 107 total cpu time spent up to now is 128.2 secs Computing kpt #: 108 total cpu time spent up to now is 128.8 secs Computing kpt #: 109 total cpu time spent up to now is 129.7 secs Computing kpt #: 110 total cpu time spent up to now is 130.4 secs Computing kpt #: 111 total cpu time spent up to now is 131.1 secs Computing kpt #: 112 total cpu time spent up to now is 131.7 secs Computing kpt #: 113 total cpu time spent up to now is 132.4 secs Computing kpt #: 114 total cpu time spent up to now is 133.1 secs Computing kpt #: 115 total cpu time spent up to now is 133.7 secs Computing kpt #: 116 total cpu time spent up to now is 134.4 secs Computing kpt #: 117 total cpu time spent up to now is 135.2 secs Computing kpt #: 118 total cpu time spent up to now is 136.2 secs Computing kpt #: 119 total cpu time spent up to now is 137.1 secs Computing kpt #: 120 total cpu time spent up to now is 137.8 secs Computing kpt #: 121 total cpu time spent up to now is 138.5 secs Computing kpt #: 122 total cpu time spent up to now is 139.2 secs Computing kpt #: 123 total cpu time spent up to now is 139.9 secs Computing kpt #: 124 total cpu time spent up to now is 140.6 secs Computing kpt #: 125 total cpu time spent up to now is 141.5 secs Computing kpt #: 126 total cpu time spent up to now is 142.3 secs Computing kpt #: 127 total cpu time spent up to now is 143.2 secs Computing kpt #: 128 total cpu time spent up to now is 143.8 secs Computing kpt #: 129 total cpu time spent up to now is 144.6 secs Computing kpt #: 130 total cpu time spent up to now is 145.3 secs Computing kpt #: 131 total cpu time spent up to now is 146.0 secs Computing kpt #: 132 total cpu time spent up to now is 146.7 secs Computing kpt #: 133 total cpu time spent up to now is 147.4 secs Computing kpt #: 134 total cpu time spent up to now is 148.0 secs Computing kpt #: 135 total cpu time spent up to now is 148.7 secs Computing kpt #: 136 total cpu time spent up to now is 149.4 secs Computing kpt #: 137 total cpu time spent up to now is 150.1 secs Computing kpt #: 138 total cpu time spent up to now is 150.8 secs Computing kpt #: 139 total cpu time spent up to now is 151.4 secs Computing kpt #: 140 total cpu time spent up to now is 152.1 secs Computing kpt #: 141 total cpu time spent up to now is 152.8 secs Computing kpt #: 142 total cpu time spent up to now is 153.5 secs Computing kpt #: 143 total cpu time spent up to now is 154.3 secs Computing kpt #: 144 total cpu time spent up to now is 155.1 secs Computing kpt #: 145 total cpu time spent up to now is 155.8 secs Computing kpt #: 146 total cpu time spent up to now is 156.5 secs Computing kpt #: 147 total cpu time spent up to now is 157.3 secs Computing kpt #: 148 total cpu time spent up to now is 158.0 secs Computing kpt #: 149 total cpu time spent up to now is 158.8 secs Computing kpt #: 150 total cpu time spent up to now is 159.5 secs Computing kpt #: 151 total cpu time spent up to now is 160.2 secs Computing kpt #: 152 total cpu time spent up to now is 161.0 secs Computing kpt #: 153 total cpu time spent up to now is 161.7 secs Computing kpt #: 154 total cpu time spent up to now is 162.4 secs Computing kpt #: 155 total cpu time spent up to now is 163.2 secs Computing kpt #: 156 total cpu time spent up to now is 163.9 secs Computing kpt #: 157 total cpu time spent up to now is 164.6 secs Computing kpt #: 158 total cpu time spent up to now is 165.3 secs Computing kpt #: 159 total cpu time spent up to now is 166.1 secs Computing kpt #: 160 total cpu time spent up to now is 166.8 secs Computing kpt #: 161 total cpu time spent up to now is 167.4 secs Computing kpt #: 162 total cpu time spent up to now is 168.1 secs Computing kpt #: 163 total cpu time spent up to now is 170.3 secs Computing kpt #: 164 total cpu time spent up to now is 171.0 secs Computing kpt #: 165 total cpu time spent up to now is 171.7 secs Computing kpt #: 166 total cpu time spent up to now is 172.4 secs Computing kpt #: 167 total cpu time spent up to now is 173.1 secs Computing kpt #: 168 total cpu time spent up to now is 174.0 secs Computing kpt #: 169 total cpu time spent up to now is 174.9 secs Computing kpt #: 170 total cpu time spent up to now is 175.9 secs Computing kpt #: 171 total cpu time spent up to now is 176.8 secs Computing kpt #: 172 total cpu time spent up to now is 177.6 secs Computing kpt #: 173 total cpu time spent up to now is 178.4 secs Computing kpt #: 174 total cpu time spent up to now is 179.2 secs Computing kpt #: 175 total cpu time spent up to now is 179.9 secs Computing kpt #: 176 total cpu time spent up to now is 180.6 secs Computing kpt #: 177 total cpu time spent up to now is 181.3 secs Computing kpt #: 178 total cpu time spent up to now is 182.0 secs Computing kpt #: 179 total cpu time spent up to now is 182.7 secs Computing kpt #: 180 total cpu time spent up to now is 183.5 secs Computing kpt #: 181 total cpu time spent up to now is 184.2 secs Computing kpt #: 182 total cpu time spent up to now is 185.0 secs Computing kpt #: 183 total cpu time spent up to now is 185.7 secs Computing kpt #: 184 total cpu time spent up to now is 186.4 secs Computing kpt #: 185 total cpu time spent up to now is 187.1 secs Computing kpt #: 186 total cpu time spent up to now is 187.8 secs Computing kpt #: 187 total cpu time spent up to now is 188.5 secs Computing kpt #: 188 total cpu time spent up to now is 189.3 secs Computing kpt #: 189 total cpu time spent up to now is 190.0 secs Computing kpt #: 190 total cpu time spent up to now is 190.7 secs Computing kpt #: 191 total cpu time spent up to now is 191.4 secs Computing kpt #: 192 total cpu time spent up to now is 192.1 secs Computing kpt #: 193 total cpu time spent up to now is 192.9 secs Computing kpt #: 194 total cpu time spent up to now is 193.6 secs Computing kpt #: 195 total cpu time spent up to now is 194.4 secs Computing kpt #: 196 total cpu time spent up to now is 195.2 secs Computing kpt #: 197 total cpu time spent up to now is 196.0 secs Computing kpt #: 198 total cpu time spent up to now is 196.7 secs Computing kpt #: 199 total cpu time spent up to now is 197.5 secs Computing kpt #: 200 total cpu time spent up to now is 198.3 secs Computing kpt #: 201 total cpu time spent up to now is 199.1 secs Computing kpt #: 202 total cpu time spent up to now is 199.9 secs Computing kpt #: 203 total cpu time spent up to now is 200.7 secs Computing kpt #: 204 total cpu time spent up to now is 202.7 secs Computing kpt #: 205 total cpu time spent up to now is 203.4 secs Computing kpt #: 206 total cpu time spent up to now is 204.1 secs Computing kpt #: 207 total cpu time spent up to now is 204.7 secs Computing kpt #: 208 total cpu time spent up to now is 205.4 secs Computing kpt #: 209 total cpu time spent up to now is 206.4 secs Computing kpt #: 210 total cpu time spent up to now is 207.2 secs Computing kpt #: 211 total cpu time spent up to now is 207.9 secs Computing kpt #: 212 total cpu time spent up to now is 208.6 secs Computing kpt #: 213 total cpu time spent up to now is 209.3 secs Computing kpt #: 214 total cpu time spent up to now is 210.0 secs Computing kpt #: 215 total cpu time spent up to now is 210.7 secs Computing kpt #: 216 total cpu time spent up to now is 213.0 secs Computing kpt #: 217 total cpu time spent up to now is 213.8 secs Computing kpt #: 218 total cpu time spent up to now is 214.5 secs Computing kpt #: 219 total cpu time spent up to now is 215.2 secs Computing kpt #: 220 total cpu time spent up to now is 216.0 secs Computing kpt #: 221 total cpu time spent up to now is 218.7 secs Computing kpt #: 222 total cpu time spent up to now is 219.8 secs Computing kpt #: 223 total cpu time spent up to now is 221.0 secs Computing kpt #: 224 total cpu time spent up to now is 222.1 secs Computing kpt #: 225 total cpu time spent up to now is 223.1 secs Computing kpt #: 226 total cpu time spent up to now is 223.9 secs Computing kpt #: 227 total cpu time spent up to now is 224.8 secs Computing kpt #: 228 total cpu time spent up to now is 225.6 secs Computing kpt #: 229 total cpu time spent up to now is 226.4 secs Computing kpt #: 230 total cpu time spent up to now is 227.2 secs Computing kpt #: 231 total cpu time spent up to now is 227.9 secs Computing kpt #: 232 total cpu time spent up to now is 228.7 secs Computing kpt #: 233 total cpu time spent up to now is 229.4 secs Computing kpt #: 234 total cpu time spent up to now is 230.1 secs Computing kpt #: 235 total cpu time spent up to now is 230.9 secs Computing kpt #: 236 total cpu time spent up to now is 231.7 secs Computing kpt #: 237 total cpu time spent up to now is 232.5 secs Computing kpt #: 238 total cpu time spent up to now is 233.4 secs Computing kpt #: 239 total cpu time spent up to now is 234.2 secs Computing kpt #: 240 total cpu time spent up to now is 235.1 secs Computing kpt #: 241 total cpu time spent up to now is 236.0 secs Computing kpt #: 242 total cpu time spent up to now is 237.1 secs Computing kpt #: 243 total cpu time spent up to now is 238.2 secs Computing kpt #: 244 total cpu time spent up to now is 239.4 secs Computing kpt #: 245 total cpu time spent up to now is 240.7 secs Computing kpt #: 246 total cpu time spent up to now is 241.9 secs Computing kpt #: 247 total cpu time spent up to now is 243.0 secs Computing kpt #: 248 total cpu time spent up to now is 244.2 secs Computing kpt #: 249 total cpu time spent up to now is 245.2 secs Computing kpt #: 250 total cpu time spent up to now is 246.2 secs Computing kpt #: 251 total cpu time spent up to now is 247.1 secs Computing kpt #: 252 total cpu time spent up to now is 247.9 secs Computing kpt #: 253 total cpu time spent up to now is 248.8 secs Computing kpt #: 254 total cpu time spent up to now is 249.8 secs Computing kpt #: 255 total cpu time spent up to now is 250.8 secs Computing kpt #: 256 total cpu time spent up to now is 251.9 secs Computing kpt #: 257 total cpu time spent up to now is 253.1 secs Computing kpt #: 258 total cpu time spent up to now is 254.1 secs Computing kpt #: 259 total cpu time spent up to now is 255.1 secs Computing kpt #: 260 total cpu time spent up to now is 255.9 secs Computing kpt #: 261 total cpu time spent up to now is 256.8 secs Computing kpt #: 262 total cpu time spent up to now is 257.7 secs Computing kpt #: 263 total cpu time spent up to now is 258.6 secs Computing kpt #: 264 total cpu time spent up to now is 259.5 secs Computing kpt #: 265 total cpu time spent up to now is 260.5 secs Computing kpt #: 266 total cpu time spent up to now is 261.6 secs Computing kpt #: 267 total cpu time spent up to now is 262.6 secs Computing kpt #: 268 total cpu time spent up to now is 263.5 secs Computing kpt #: 269 total cpu time spent up to now is 264.3 secs Computing kpt #: 270 total cpu time spent up to now is 265.1 secs Computing kpt #: 271 total cpu time spent up to now is 265.8 secs Computing kpt #: 272 total cpu time spent up to now is 266.6 secs Computing kpt #: 273 total cpu time spent up to now is 267.4 secs Computing kpt #: 274 total cpu time spent up to now is 268.3 secs Computing kpt #: 275 total cpu time spent up to now is 269.0 secs Computing kpt #: 276 total cpu time spent up to now is 269.8 secs Computing kpt #: 277 total cpu time spent up to now is 270.5 secs Computing kpt #: 278 total cpu time spent up to now is 271.3 secs Computing kpt #: 279 total cpu time spent up to now is 272.1 secs Computing kpt #: 280 total cpu time spent up to now is 273.0 secs Computing kpt #: 281 total cpu time spent up to now is 273.9 secs Computing kpt #: 282 total cpu time spent up to now is 274.8 secs Computing kpt #: 283 total cpu time spent up to now is 275.6 secs Computing kpt #: 284 total cpu time spent up to now is 276.4 secs Computing kpt #: 285 total cpu time spent up to now is 277.2 secs Computing kpt #: 286 total cpu time spent up to now is 278.0 secs Computing kpt #: 287 total cpu time spent up to now is 279.0 secs Computing kpt #: 288 total cpu time spent up to now is 279.9 secs Computing kpt #: 289 total cpu time spent up to now is 280.9 secs Computing kpt #: 290 total cpu time spent up to now is 281.7 secs Computing kpt #: 291 total cpu time spent up to now is 282.6 secs Computing kpt #: 292 total cpu time spent up to now is 283.4 secs Computing kpt #: 293 total cpu time spent up to now is 284.1 secs Computing kpt #: 294 total cpu time spent up to now is 284.9 secs Computing kpt #: 295 total cpu time spent up to now is 285.6 secs Computing kpt #: 296 total cpu time spent up to now is 286.3 secs Computing kpt #: 297 total cpu time spent up to now is 286.9 secs Computing kpt #: 298 total cpu time spent up to now is 287.5 secs Computing kpt #: 299 total cpu time spent up to now is 288.2 secs Computing kpt #: 300 total cpu time spent up to now is 288.8 secs Computing kpt #: 301 total cpu time spent up to now is 289.4 secs Computing kpt #: 302 total cpu time spent up to now is 289.9 secs Computing kpt #: 303 total cpu time spent up to now is 290.5 secs Computing kpt #: 304 total cpu time spent up to now is 291.1 secs Computing kpt #: 305 total cpu time spent up to now is 291.6 secs Computing kpt #: 306 total cpu time spent up to now is 292.2 secs Computing kpt #: 307 total cpu time spent up to now is 292.9 secs Computing kpt #: 308 total cpu time spent up to now is 293.4 secs Computing kpt #: 309 total cpu time spent up to now is 294.0 secs Computing kpt #: 310 total cpu time spent up to now is 295.8 secs Computing kpt #: 311 total cpu time spent up to now is 296.3 secs Computing kpt #: 312 total cpu time spent up to now is 296.9 secs Computing kpt #: 313 total cpu time spent up to now is 297.5 secs Computing kpt #: 314 total cpu time spent up to now is 298.1 secs Computing kpt #: 315 total cpu time spent up to now is 298.7 secs Computing kpt #: 316 total cpu time spent up to now is 299.3 secs Computing kpt #: 317 total cpu time spent up to now is 300.2 secs Computing kpt #: 318 total cpu time spent up to now is 300.8 secs Computing kpt #: 319 total cpu time spent up to now is 301.3 secs Computing kpt #: 320 total cpu time spent up to now is 301.9 secs Computing kpt #: 321 total cpu time spent up to now is 302.4 secs Computing kpt #: 322 total cpu time spent up to now is 302.9 secs Computing kpt #: 323 total cpu time spent up to now is 303.7 secs Computing kpt #: 324 total cpu time spent up to now is 304.2 secs Computing kpt #: 325 total cpu time spent up to now is 304.9 secs Computing kpt #: 326 total cpu time spent up to now is 305.5 secs Computing kpt #: 327 total cpu time spent up to now is 306.1 secs Computing kpt #: 328 total cpu time spent up to now is 306.6 secs Computing kpt #: 329 total cpu time spent up to now is 307.1 secs Computing kpt #: 330 total cpu time spent up to now is 307.7 secs Computing kpt #: 331 total cpu time spent up to now is 308.2 secs Computing kpt #: 332 total cpu time spent up to now is 308.8 secs Computing kpt #: 333 total cpu time spent up to now is 309.3 secs Computing kpt #: 334 total cpu time spent up to now is 309.9 secs Computing kpt #: 335 total cpu time spent up to now is 310.6 secs Computing kpt #: 336 total cpu time spent up to now is 311.3 secs Computing kpt #: 337 total cpu time spent up to now is 311.9 secs Computing kpt #: 338 total cpu time spent up to now is 312.5 secs Computing kpt #: 339 total cpu time spent up to now is 313.2 secs Computing kpt #: 340 total cpu time spent up to now is 313.8 secs Computing kpt #: 341 total cpu time spent up to now is 314.5 secs Computing kpt #: 342 total cpu time spent up to now is 315.1 secs Computing kpt #: 343 total cpu time spent up to now is 315.9 secs Computing kpt #: 344 total cpu time spent up to now is 316.6 secs Computing kpt #: 345 total cpu time spent up to now is 317.3 secs Computing kpt #: 346 total cpu time spent up to now is 318.1 secs Computing kpt #: 347 total cpu time spent up to now is 318.8 secs Computing kpt #: 348 total cpu time spent up to now is 319.5 secs Computing kpt #: 349 total cpu time spent up to now is 320.3 secs Computing kpt #: 350 total cpu time spent up to now is 321.1 secs Computing kpt #: 351 total cpu time spent up to now is 322.0 secs Computing kpt #: 352 total cpu time spent up to now is 322.8 secs Computing kpt #: 353 total cpu time spent up to now is 323.7 secs Computing kpt #: 354 total cpu time spent up to now is 324.5 secs Computing kpt #: 355 total cpu time spent up to now is 325.4 secs Computing kpt #: 356 total cpu time spent up to now is 326.2 secs Computing kpt #: 357 total cpu time spent up to now is 327.1 secs Computing kpt #: 358 total cpu time spent up to now is 327.9 secs Computing kpt #: 359 total cpu time spent up to now is 328.8 secs Computing kpt #: 360 total cpu time spent up to now is 329.7 secs Computing kpt #: 361 total cpu time spent up to now is 330.4 secs Computing kpt #: 362 total cpu time spent up to now is 331.2 secs Computing kpt #: 363 total cpu time spent up to now is 332.0 secs Computing kpt #: 364 total cpu time spent up to now is 332.8 secs Computing kpt #: 365 total cpu time spent up to now is 333.7 secs Computing kpt #: 366 total cpu time spent up to now is 334.6 secs Computing kpt #: 367 total cpu time spent up to now is 335.4 secs Computing kpt #: 368 total cpu time spent up to now is 336.2 secs Computing kpt #: 369 total cpu time spent up to now is 338.7 secs Computing kpt #: 370 total cpu time spent up to now is 339.5 secs Computing kpt #: 371 total cpu time spent up to now is 340.5 secs Computing kpt #: 372 total cpu time spent up to now is 341.3 secs Computing kpt #: 373 total cpu time spent up to now is 342.2 secs Computing kpt #: 374 total cpu time spent up to now is 343.0 secs Computing kpt #: 375 total cpu time spent up to now is 343.9 secs Computing kpt #: 376 total cpu time spent up to now is 344.8 secs Computing kpt #: 377 total cpu time spent up to now is 345.9 secs Computing kpt #: 378 total cpu time spent up to now is 347.0 secs Computing kpt #: 379 total cpu time spent up to now is 348.3 secs Computing kpt #: 380 total cpu time spent up to now is 349.6 secs Computing kpt #: 381 total cpu time spent up to now is 350.6 secs Computing kpt #: 382 total cpu time spent up to now is 351.6 secs Computing kpt #: 383 total cpu time spent up to now is 352.5 secs Computing kpt #: 384 total cpu time spent up to now is 353.4 secs Computing kpt #: 385 total cpu time spent up to now is 354.2 secs Computing kpt #: 386 total cpu time spent up to now is 355.3 secs Computing kpt #: 387 total cpu time spent up to now is 356.0 secs Computing kpt #: 388 total cpu time spent up to now is 356.8 secs Computing kpt #: 389 total cpu time spent up to now is 357.6 secs Computing kpt #: 390 total cpu time spent up to now is 358.3 secs Computing kpt #: 391 total cpu time spent up to now is 359.1 secs Computing kpt #: 392 total cpu time spent up to now is 359.8 secs Computing kpt #: 393 total cpu time spent up to now is 360.6 secs Computing kpt #: 394 total cpu time spent up to now is 361.3 secs Computing kpt #: 395 total cpu time spent up to now is 362.1 secs Computing kpt #: 396 total cpu time spent up to now is 362.8 secs Computing kpt #: 397 total cpu time spent up to now is 363.6 secs Computing kpt #: 398 total cpu time spent up to now is 364.4 secs Computing kpt #: 399 total cpu time spent up to now is 365.1 secs Computing kpt #: 400 total cpu time spent up to now is 365.9 secs Computing kpt #: 401 total cpu time spent up to now is 366.6 secs Computing kpt #: 402 total cpu time spent up to now is 367.3 secs Computing kpt #: 403 total cpu time spent up to now is 368.1 secs Computing kpt #: 404 total cpu time spent up to now is 368.8 secs Computing kpt #: 405 total cpu time spent up to now is 369.6 secs Computing kpt #: 406 total cpu time spent up to now is 370.4 secs Computing kpt #: 407 total cpu time spent up to now is 371.1 secs Computing kpt #: 408 total cpu time spent up to now is 371.9 secs Computing kpt #: 409 total cpu time spent up to now is 374.2 secs Computing kpt #: 410 total cpu time spent up to now is 375.1 secs Computing kpt #: 411 total cpu time spent up to now is 375.8 secs Computing kpt #: 412 total cpu time spent up to now is 376.6 secs Computing kpt #: 413 total cpu time spent up to now is 377.3 secs Computing kpt #: 414 total cpu time spent up to now is 378.0 secs Computing kpt #: 415 total cpu time spent up to now is 378.6 secs Computing kpt #: 416 total cpu time spent up to now is 379.3 secs Computing kpt #: 417 total cpu time spent up to now is 379.9 secs Computing kpt #: 418 total cpu time spent up to now is 380.6 secs Computing kpt #: 419 total cpu time spent up to now is 381.2 secs Computing kpt #: 420 total cpu time spent up to now is 381.9 secs Computing kpt #: 421 total cpu time spent up to now is 382.6 secs Computing kpt #: 422 total cpu time spent up to now is 383.2 secs Computing kpt #: 423 total cpu time spent up to now is 383.9 secs Computing kpt #: 424 total cpu time spent up to now is 384.5 secs Computing kpt #: 425 total cpu time spent up to now is 385.2 secs Computing kpt #: 426 total cpu time spent up to now is 385.8 secs Computing kpt #: 427 total cpu time spent up to now is 386.4 secs Computing kpt #: 428 total cpu time spent up to now is 390.6 secs Computing kpt #: 429 total cpu time spent up to now is 391.6 secs Computing kpt #: 430 total cpu time spent up to now is 392.3 secs Computing kpt #: 431 total cpu time spent up to now is 392.9 secs Computing kpt #: 432 total cpu time spent up to now is 393.6 secs Computing kpt #: 433 total cpu time spent up to now is 394.3 secs Computing kpt #: 434 total cpu time spent up to now is 394.9 secs Computing kpt #: 435 total cpu time spent up to now is 395.6 secs Computing kpt #: 436 total cpu time spent up to now is 396.3 secs Computing kpt #: 437 total cpu time spent up to now is 397.0 secs Computing kpt #: 438 total cpu time spent up to now is 397.8 secs Computing kpt #: 439 total cpu time spent up to now is 398.4 secs Computing kpt #: 440 total cpu time spent up to now is 399.1 secs Computing kpt #: 441 total cpu time spent up to now is 399.8 secs Computing kpt #: 442 total cpu time spent up to now is 400.5 secs Computing kpt #: 443 total cpu time spent up to now is 401.3 secs Computing kpt #: 444 total cpu time spent up to now is 402.0 secs Computing kpt #: 445 total cpu time spent up to now is 402.7 secs Computing kpt #: 446 total cpu time spent up to now is 403.4 secs Computing kpt #: 447 total cpu time spent up to now is 404.1 secs Computing kpt #: 448 total cpu time spent up to now is 404.9 secs Computing kpt #: 449 total cpu time spent up to now is 405.7 secs Computing kpt #: 450 total cpu time spent up to now is 406.5 secs Computing kpt #: 451 total cpu time spent up to now is 407.3 secs Computing kpt #: 452 total cpu time spent up to now is 408.1 secs Computing kpt #: 453 total cpu time spent up to now is 409.0 secs Computing kpt #: 454 total cpu time spent up to now is 409.8 secs Computing kpt #: 455 total cpu time spent up to now is 410.6 secs Computing kpt #: 456 total cpu time spent up to now is 411.6 secs Computing kpt #: 457 total cpu time spent up to now is 412.4 secs Computing kpt #: 458 total cpu time spent up to now is 413.2 secs Computing kpt #: 459 total cpu time spent up to now is 413.9 secs Computing kpt #: 460 total cpu time spent up to now is 414.7 secs Computing kpt #: 461 total cpu time spent up to now is 415.5 secs Computing kpt #: 462 total cpu time spent up to now is 416.3 secs Computing kpt #: 463 total cpu time spent up to now is 417.1 secs Computing kpt #: 464 total cpu time spent up to now is 418.1 secs Computing kpt #: 465 total cpu time spent up to now is 419.0 secs Computing kpt #: 466 total cpu time spent up to now is 420.1 secs Computing kpt #: 467 total cpu time spent up to now is 422.8 secs Computing kpt #: 468 total cpu time spent up to now is 423.9 secs Computing kpt #: 469 total cpu time spent up to now is 424.8 secs Computing kpt #: 470 total cpu time spent up to now is 425.7 secs Computing kpt #: 471 total cpu time spent up to now is 426.5 secs Computing kpt #: 472 total cpu time spent up to now is 427.3 secs Computing kpt #: 473 total cpu time spent up to now is 428.1 secs Computing kpt #: 474 total cpu time spent up to now is 429.0 secs Computing kpt #: 475 total cpu time spent up to now is 429.8 secs Computing kpt #: 476 total cpu time spent up to now is 430.6 secs Computing kpt #: 477 total cpu time spent up to now is 431.4 secs Computing kpt #: 478 total cpu time spent up to now is 432.2 secs Computing kpt #: 479 total cpu time spent up to now is 432.9 secs Computing kpt #: 480 total cpu time spent up to now is 433.7 secs Computing kpt #: 481 total cpu time spent up to now is 434.5 secs Computing kpt #: 482 total cpu time spent up to now is 435.3 secs Computing kpt #: 483 total cpu time spent up to now is 436.2 secs Computing kpt #: 484 total cpu time spent up to now is 437.0 secs Computing kpt #: 485 total cpu time spent up to now is 437.7 secs Computing kpt #: 486 total cpu time spent up to now is 438.5 secs Computing kpt #: 487 total cpu time spent up to now is 439.3 secs Computing kpt #: 488 total cpu time spent up to now is 440.1 secs Computing kpt #: 489 total cpu time spent up to now is 440.9 secs Computing kpt #: 490 total cpu time spent up to now is 441.7 secs Computing kpt #: 491 total cpu time spent up to now is 442.4 secs Computing kpt #: 492 total cpu time spent up to now is 443.3 secs Computing kpt #: 493 total cpu time spent up to now is 444.0 secs Computing kpt #: 494 total cpu time spent up to now is 444.8 secs Computing kpt #: 495 total cpu time spent up to now is 445.5 secs Computing kpt #: 496 total cpu time spent up to now is 446.3 secs Computing kpt #: 497 total cpu time spent up to now is 447.1 secs Computing kpt #: 498 total cpu time spent up to now is 447.9 secs Computing kpt #: 499 total cpu time spent up to now is 448.7 secs Computing kpt #: 500 total cpu time spent up to now is 449.4 secs Computing kpt #: 501 total cpu time spent up to now is 450.1 secs Computing kpt #: 502 total cpu time spent up to now is 450.8 secs Computing kpt #: 503 total cpu time spent up to now is 451.5 secs Computing kpt #: 504 total cpu time spent up to now is 452.3 secs Computing kpt #: 505 total cpu time spent up to now is 453.0 secs Computing kpt #: 506 total cpu time spent up to now is 453.8 secs Computing kpt #: 507 total cpu time spent up to now is 454.6 secs Computing kpt #: 508 total cpu time spent up to now is 455.3 secs Computing kpt #: 509 total cpu time spent up to now is 456.0 secs Computing kpt #: 510 total cpu time spent up to now is 456.7 secs Computing kpt #: 511 total cpu time spent up to now is 457.4 secs Computing kpt #: 512 total cpu time spent up to now is 458.1 secs Computing kpt #: 513 total cpu time spent up to now is 459.0 secs Computing kpt #: 514 total cpu time spent up to now is 459.8 secs Computing kpt #: 515 total cpu time spent up to now is 460.5 secs Computing kpt #: 516 total cpu time spent up to now is 461.2 secs Computing kpt #: 517 total cpu time spent up to now is 462.0 secs Computing kpt #: 518 total cpu time spent up to now is 462.8 secs Computing kpt #: 519 total cpu time spent up to now is 463.4 secs Computing kpt #: 520 total cpu time spent up to now is 464.0 secs Computing kpt #: 521 total cpu time spent up to now is 464.7 secs Computing kpt #: 522 total cpu time spent up to now is 466.6 secs Computing kpt #: 523 total cpu time spent up to now is 467.3 secs Computing kpt #: 524 total cpu time spent up to now is 467.9 secs Computing kpt #: 525 total cpu time spent up to now is 468.5 secs Computing kpt #: 526 total cpu time spent up to now is 469.5 secs Computing kpt #: 527 total cpu time spent up to now is 470.2 secs Computing kpt #: 528 total cpu time spent up to now is 470.8 secs Computing kpt #: 529 total cpu time spent up to now is 471.5 secs Computing kpt #: 530 total cpu time spent up to now is 472.1 secs Computing kpt #: 531 total cpu time spent up to now is 472.7 secs Computing kpt #: 532 total cpu time spent up to now is 473.3 secs Computing kpt #: 533 total cpu time spent up to now is 473.9 secs Computing kpt #: 534 total cpu time spent up to now is 474.4 secs Computing kpt #: 535 total cpu time spent up to now is 475.0 secs Computing kpt #: 536 total cpu time spent up to now is 475.5 secs Computing kpt #: 537 total cpu time spent up to now is 476.1 secs Computing kpt #: 538 total cpu time spent up to now is 476.7 secs Computing kpt #: 539 total cpu time spent up to now is 477.3 secs Computing kpt #: 540 total cpu time spent up to now is 477.9 secs Computing kpt #: 541 total cpu time spent up to now is 478.4 secs Computing kpt #: 542 total cpu time spent up to now is 479.0 secs Computing kpt #: 543 total cpu time spent up to now is 479.6 secs Computing kpt #: 544 total cpu time spent up to now is 480.2 secs Computing kpt #: 545 total cpu time spent up to now is 480.7 secs Computing kpt #: 546 total cpu time spent up to now is 481.2 secs Computing kpt #: 547 total cpu time spent up to now is 481.8 secs Computing kpt #: 548 total cpu time spent up to now is 482.4 secs ethr = 3.13E-11, avg # of iterations = 30.0 total cpu time spent up to now is 482.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1527 PWs) bands (ev): -9.3142 -9.3142 -4.1333 -4.1333 -1.0680 -1.0680 -0.5974 -0.5974 1.0356 1.0356 1.3445 1.3445 3.1852 3.1852 4.9915 4.9915 6.2932 6.2932 6.4655 6.4655 6.7747 6.7747 6.8875 6.8875 7.9160 7.9160 12.7007 12.7007 12.7225 12.7225 13.0131 13.0131 15.4748 15.4748 15.9413 15.9413 17.0054 17.0054 17.9234 17.9234 k = 0.0111-0.0000-0.0000 ( 1527 PWs) bands (ev): -9.3133 -9.3133 -4.1329 -4.1329 -1.0978 -1.0978 -0.5697 -0.5696 1.0364 1.0364 1.3451 1.3453 3.1891 3.1892 4.9903 4.9903 6.2940 6.2941 6.4650 6.4650 6.7724 6.7725 6.8852 6.8853 7.9136 7.9136 12.6968 12.6972 12.7195 12.7196 13.0090 13.0093 15.4796 15.4796 15.9411 15.9412 17.0096 17.0098 17.9283 17.9283 k = 0.0222-0.0000-0.0000 ( 1527 PWs) bands (ev): -9.3107 -9.3107 -4.1318 -4.1318 -1.1727 -1.1727 -0.5012 -0.5010 1.0388 1.0388 1.3473 1.3475 3.2008 3.2010 4.9866 4.9866 6.2966 6.2968 6.4633 6.4635 6.7657 6.7658 6.8785 6.8787 7.9063 7.9064 12.6856 12.6864 12.7106 12.7107 12.9969 12.9976 15.4940 15.4940 15.9407 15.9408 17.0222 17.0225 17.9431 17.9431 k = 0.0333-0.0000-0.0000 ( 1527 PWs) bands (ev): -9.3064 -9.3064 -4.1301 -4.1301 -1.2712 -1.2712 -0.4132 -0.4130 1.0426 1.0426 1.3508 1.3513 3.2204 3.2207 4.9805 4.9805 6.3009 6.3012 6.4606 6.4609 6.7544 6.7547 6.8674 6.8677 7.8942 7.8943 12.6672 12.6683 12.6957 12.6959 12.9770 12.9782 15.5179 15.5180 15.9402 15.9404 17.0430 17.0434 17.9676 17.9676 k = 0.0444-0.0000-0.0000 ( 1527 PWs) bands (ev): -9.3003 -9.3003 -4.1276 -4.1276 -1.3815 -1.3815 -0.3175 -0.3172 1.0481 1.0481 1.3559 1.3564 3.2477 3.2481 4.9719 4.9720 6.3069 6.3072 6.4570 6.4573 6.7388 6.7391 6.8520 6.8523 7.8776 7.8777 12.6415 12.6429 12.6750 12.6753 12.9496 12.9510 15.5512 15.5512 15.9398 15.9401 17.0714 17.0720 18.0017 18.0017 k = 0.0556-0.0000-0.0000 ( 1527 PWs) bands (ev): -9.2925 -9.2925 -4.1244 -4.1244 -1.4984 -1.4984 -0.2193 -0.2190 1.0550 1.0550 1.3623 1.3630 3.2828 3.2832 4.9608 4.9609 6.3146 6.3150 6.4524 6.4528 6.7189 6.7193 6.8323 6.8327 7.8565 7.8567 12.6090 12.6108 12.6488 12.6491 12.9150 12.9168 15.5936 15.5936 15.9400 15.9403 17.1069 17.1076 18.0452 18.0453 k = 0.0667-0.0000-0.0000 ( 1527 PWs) bands (ev): -9.2830 -9.2830 -4.1206 -4.1206 -1.6192 -1.6192 -0.1213 -0.1209 1.0635 1.0635 1.3702 1.3711 3.3254 3.3260 4.9472 4.9473 6.3240 6.3245 6.4470 6.4475 6.6949 6.6954 6.8085 6.8090 7.8313 7.8316 12.5700 12.5719 12.6170 12.6173 12.8737 12.8757 15.6449 15.6449 15.9409 15.9413 17.1487 17.1496 18.0981 18.0981 k = 0.0778-0.0000-0.0000 ( 1527 PWs) bands (ev): -9.2717 -9.2717 -4.1161 -4.1161 -1.7425 -1.7425 -0.0246 -0.0242 1.0735 1.0735 1.3796 1.3806 3.3755 3.3762 4.9311 4.9312 6.3351 6.3356 6.4408 6.4413 6.6669 6.6675 6.7807 6.7813 7.8024 7.8027 12.5248 12.5269 12.5798 12.5801 12.8259 12.8282 15.7048 15.7048 15.9429 15.9433 17.1961 17.1970 18.1600 18.1600 k = 0.0889-0.0000-0.0000 ( 1525 PWs) bands (ev): -9.2588 -9.2588 -4.1109 -4.1109 -1.8675 -1.8675 0.0698 0.0703 1.0849 1.0849 1.3903 1.3914 3.4330 3.4337 4.9124 4.9126 6.3478 6.3484 6.4340 6.4345 6.6351 6.6357 6.7491 6.7497 7.7700 7.7704 12.4738 12.4762 12.5372 12.5375 12.7723 12.7748 15.7730 15.7731 15.9463 15.9467 17.2481 17.2492 18.2307 18.2307 k = 0.1000-0.0000-0.0000 ( 1521 PWs) bands (ev): -9.2443 -9.2442 -4.1051 -4.1051 -1.9935 -1.9935 0.1617 0.1623 1.0978 1.0979 1.4025 1.4037 3.4975 3.4982 4.8913 4.8915 6.3622 6.3627 6.4265 6.4269 6.5997 6.6004 6.7138 6.7146 7.7347 7.7351 12.4175 12.4200 12.4895 12.4898 12.7132 12.7159 15.8492 15.8493 15.9513 15.9517 17.3039 17.3050 18.3098 18.3098 k = 0.1111-0.0000-0.0000 ( 1516 PWs) bands (ev): -9.2280 -9.2280 -4.0987 -4.0987 -2.1201 -2.1201 0.2507 0.2514 1.1122 1.1122 1.4159 1.4174 3.5688 3.5696 4.8677 4.8679 6.3780 6.3782 6.4187 6.4187 6.5609 6.5617 6.6751 6.6760 7.6969 7.6974 12.3564 12.3590 12.4368 12.4371 12.6491 12.6520 15.9331 15.9332 15.9581 15.9585 17.3624 17.3636 18.3972 18.3972 k = 0.1222-0.0000-0.0000 ( 1516 PWs) bands (ev): -9.2102 -9.2102 -4.0917 -4.0917 -2.2470 -2.2469 0.3368 0.3375 1.1280 1.1280 1.4308 1.4323 3.6466 3.6474 4.8416 4.8419 6.3931 6.3946 6.4107 6.4124 6.5190 6.5199 6.6332 6.6342 7.6572 7.6578 12.2908 12.2936 12.3791 12.3795 12.5805 12.5835 15.9668 15.9672 16.0244 16.0245 17.4226 17.4238 18.4924 18.4924 k = 0.1333-0.0000-0.0000 ( 1516 PWs) bands (ev): -9.1907 -9.1907 -4.0842 -4.0842 -2.3738 -2.3738 0.4198 0.4206 1.1451 1.1451 1.4469 1.4486 3.7305 3.7314 4.8132 4.8135 6.3943 6.3972 6.4172 6.4204 6.4743 6.4752 6.5883 6.5893 7.6161 7.6168 12.2213 12.2241 12.3169 12.3172 12.5079 12.5110 15.9775 15.9779 16.1227 16.1228 17.4832 17.4845 18.5950 18.5950 k = 0.1444-0.0000-0.0000 ( 1508 PWs) bands (ev): -9.1697 -9.1697 -4.0762 -4.0762 -2.5004 -2.5003 0.4998 0.5008 1.1635 1.1636 1.4643 1.4661 3.8201 3.8211 4.7826 4.7829 6.3845 6.3867 6.4270 6.4279 6.4374 6.4397 6.5407 6.5418 7.5745 7.5753 12.1483 12.1512 12.2501 12.2505 12.4318 12.4350 15.9903 15.9906 16.2278 16.2279 17.5431 17.5444 18.7049 18.7049 k = 0.1556-0.0000-0.0000 ( 1500 PWs) bands (ev): -9.1472 -9.1472 -4.0676 -4.0676 -2.6264 -2.6263 0.5769 0.5780 1.1833 1.1834 1.4830 1.4849 3.9150 3.9160 4.7498 4.7501 6.3719 6.3739 6.3778 6.3787 6.4596 6.4619 6.4907 6.4919 7.5329 7.5338 12.0722 12.0751 12.1790 12.1794 12.3525 12.3557 16.0050 16.0054 16.3393 16.3394 17.6010 17.6023 18.8214 18.8214 k = 0.1667-0.0000-0.0000 ( 1500 PWs) bands (ev): -9.1232 -9.1232 -4.0586 -4.0586 -2.7517 -2.7516 0.6512 0.6524 1.2043 1.2044 1.5028 1.5049 4.0145 4.0156 4.7150 4.7153 6.3260 6.3271 6.3579 6.3597 6.4385 6.4398 6.4835 6.4858 7.4921 7.4932 11.9934 11.9964 12.1038 12.1041 12.2704 12.2737 16.0218 16.0222 16.4569 16.4569 17.6556 17.6568 18.9443 18.9444 k = 0.1778-0.0000-0.0000 ( 1510 PWs) bands (ev): -9.0978 -9.0978 -4.0492 -4.0492 -2.8761 -2.8761 0.7229 0.7242 1.2265 1.2266 1.5238 1.5261 4.1180 4.1191 4.6783 4.6787 6.2731 6.2743 6.3412 6.3429 6.3846 6.3860 6.5089 6.5112 7.4529 7.4541 11.9124 11.9153 12.0245 12.0248 12.1859 12.1892 16.0406 16.0409 16.5801 16.5802 17.7055 17.7068 19.0732 19.0733 k = 0.1889-0.0000-0.0000 ( 1514 PWs) bands (ev): -9.0709 -9.0709 -4.0394 -4.0394 -2.9994 -2.9994 0.7920 0.7935 1.2498 1.2499 1.5459 1.5483 4.2249 4.2261 4.6401 4.6404 6.2190 6.2203 6.3219 6.3236 6.3294 6.3309 6.5357 6.5382 7.4161 7.4175 11.8295 11.8325 11.9414 11.9417 12.0997 12.1030 16.0613 16.0616 16.7089 16.7089 17.7498 17.7509 19.2077 19.2078 k = 0.2000-0.0000-0.0000 ( 1514 PWs) bands (ev): -9.0428 -9.0428 -4.0293 -4.0293 -3.1214 -3.1214 0.8589 0.8605 1.2742 1.2743 1.5691 1.5716 4.3343 4.3356 4.6005 4.6008 6.1642 6.1655 6.2734 6.2749 6.2997 6.3013 6.5640 6.5665 7.3824 7.3841 11.7452 11.7481 11.8547 11.8550 12.0119 12.0152 16.0839 16.0842 16.8428 16.8428 17.7873 17.7885 19.2931 19.2933 k = 0.2111-0.0000-0.0000 ( 1514 PWs) bands (ev): -9.0133 -9.0133 -4.0189 -4.0189 -3.2420 -3.2419 0.9236 0.9253 1.2996 1.2997 1.5932 1.5959 4.4452 4.4466 4.5596 4.5600 6.1092 6.1104 6.2175 6.2191 6.2741 6.2755 6.5936 6.5963 7.3527 7.3545 11.6597 11.6626 11.7644 11.7648 11.9229 11.9261 16.1083 16.1086 16.9815 16.9815 17.8177 17.8187 19.3538 19.3541 k = 0.2222-0.0000-0.0000 ( 1514 PWs) bands (ev): -8.9827 -8.9827 -4.0082 -4.0082 -3.3609 -3.3609 0.9864 0.9882 1.3259 1.3260 1.6183 1.6211 4.5178 4.5180 4.5565 4.5579 6.0542 6.0554 6.1626 6.1642 6.2447 6.2461 6.6245 6.6273 7.3273 7.3293 11.5735 11.5764 11.6709 11.6713 11.8330 11.8362 16.1344 16.1347 17.1248 17.1248 17.8405 17.8414 19.4237 19.4241 k = 0.2333-0.0000-0.0000 ( 1514 PWs) bands (ev): -8.9509 -8.9509 -3.9974 -3.9974 -3.4781 -3.4780 1.0472 1.0492 1.3531 1.3532 1.6442 1.6471 4.4754 4.4758 4.6660 4.6675 5.9994 6.0005 6.1104 6.1120 6.2116 6.2128 6.6566 6.6595 7.3067 7.3090 11.4869 11.4897 11.5742 11.5746 11.7426 11.7458 16.1622 16.1624 17.2722 17.2723 17.8558 17.8567 19.5026 19.5031 k = 0.2444-0.0000-0.0000 ( 1518 PWs) bands (ev): -8.9181 -8.9181 -3.9864 -3.9864 -3.5933 -3.5932 1.1064 1.1085 1.3810 1.3811 1.6708 1.6739 4.4325 4.4328 4.7718 4.7735 5.9448 5.9457 6.0636 6.0651 6.1745 6.1757 6.6899 6.6929 7.2912 7.2937 11.4002 11.4029 11.4745 11.4749 11.6519 11.6550 16.1914 16.1917 17.4236 17.4236 17.8639 17.8647 19.5901 19.5907 k = 0.2556-0.0000-0.0000 ( 1522 PWs) bands (ev): -8.8844 -8.8844 -3.9753 -3.9753 -3.7064 -3.7063 1.1640 1.1663 1.4096 1.4096 1.6982 1.7014 4.3893 4.3897 4.8707 4.8725 5.8898 5.8904 6.0259 6.0272 6.1339 6.1349 6.7242 6.7274 7.2807 7.2835 11.3136 11.3164 11.3719 11.3723 11.5614 11.5644 16.2222 16.2224 17.5786 17.5786 17.8653 17.8661 19.6854 19.6861 k = 0.2667-0.0000-0.0000 ( 1522 PWs) bands (ev): -8.8498 -8.8498 -3.9641 -3.9641 -3.8172 -3.8171 1.2201 1.2225 1.4387 1.4387 1.7260 1.7294 4.3463 4.3466 4.9586 4.9606 5.8338 5.8340 6.0023 6.0035 6.0898 6.0908 6.7595 6.7628 7.2752 7.2782 11.2276 11.2303 11.2666 11.2671 11.4711 11.4740 16.2543 16.2545 17.7368 17.7369 17.8607 17.8614 19.7878 19.7885 k = 0.2778-0.0000-0.0000 ( 1522 PWs) bands (ev): -8.8146 -8.8146 -3.9530 -3.9530 -3.9255 -3.9254 1.2748 1.2773 1.4682 1.4683 1.7544 1.7579 4.3035 4.3039 5.0304 5.0326 5.7763 5.7765 5.9983 5.9992 6.0429 6.0438 6.7958 6.7992 7.2743 7.2776 11.1419 11.1449 11.1589 11.1598 11.3815 11.3844 16.2877 16.2879 17.8507 17.8512 17.8981 17.8982 19.8964 19.8972 k = 0.2889-0.0000-0.0000 ( 1526 PWs) bands (ev): -8.7787 -8.7787 -4.0311 -4.0311 -3.9419 -3.9419 1.3281 1.3308 1.4980 1.4981 1.7830 1.7866 4.2612 4.2616 5.0816 5.0839 5.7175 5.7180 5.9935 5.9943 6.0184 6.0193 6.8327 6.8363 7.2776 7.2811 11.0469 11.0477 11.0605 11.0617 11.2929 11.2956 16.3223 16.3224 17.8358 17.8363 18.0620 18.0620 20.0104 20.0112 k = 0.3000-0.0000-0.0000 ( 1524 PWs) bands (ev): -8.7424 -8.7424 -4.1339 -4.1339 -3.9310 -3.9310 1.3801 1.3829 1.5280 1.5281 1.8119 1.8156 4.2198 4.2201 5.1099 5.1123 5.6583 5.6590 5.9424 5.9431 6.0647 6.0655 6.8704 6.8741 7.2848 7.2885 10.9352 10.9353 10.9771 10.9789 11.2054 11.2081 16.3580 16.3581 17.8168 17.8172 18.2282 18.2283 20.1289 20.1299 k = 0.3111-0.0000-0.0000 ( 1530 PWs) bands (ev): -8.7058 -8.7058 -4.2336 -4.2336 -3.9203 -3.9203 1.4307 1.4336 1.5580 1.5581 1.8407 1.8446 4.1792 4.1796 5.1165 5.1190 5.5990 5.5999 5.8900 5.8907 6.1357 6.1363 6.9085 6.9123 7.2952 7.2991 10.8205 10.8205 10.8963 10.8981 11.1195 11.1220 16.3947 16.3948 17.7941 17.7945 18.3964 18.3965 20.2513 20.2523 k = 0.3222-0.0000-0.0000 ( 1530 PWs) bands (ev): -8.6692 -8.6692 -4.3301 -4.3300 -3.9097 -3.9097 1.4799 1.4829 1.5879 1.5880 1.8695 1.8735 4.1399 4.1403 5.1056 5.1082 5.5404 5.5414 5.8370 5.8376 6.2269 6.2274 6.9470 6.9509 7.3084 7.3125 10.7036 10.7037 10.8177 10.8195 11.0353 11.0377 16.4324 16.4325 17.7682 17.7685 18.5663 18.5663 20.3768 20.3778 k = 0.3333-0.0000-0.0000 ( 1530 PWs) bands (ev): -8.6326 -8.6326 -4.4229 -4.4229 -3.8995 -3.8995 1.5277 1.5308 1.6174 1.6175 1.8981 1.9021 4.1020 4.1024 5.0822 5.0847 5.4827 5.4838 5.7840 5.7846 6.3332 6.3337 6.9857 6.9897 7.3238 7.3280 10.5848 10.5850 10.7416 10.7432 10.9532 10.9555 16.4710 16.4711 17.7395 17.7399 18.7374 18.7375 20.5046 20.5056 k = 0.3444-0.0000-0.0000 ( 1534 PWs) bands (ev): -8.5963 -8.5963 -4.5120 -4.5120 -3.8896 -3.8896 1.5739 1.5771 1.6465 1.6466 1.9261 1.9302 4.0656 4.0660 5.0504 5.0529 5.4265 5.4277 5.7315 5.7320 6.4505 6.4508 7.0243 7.0285 7.3409 7.3453 10.4643 10.4645 10.6682 10.6698 10.8736 10.8757 16.5103 16.5105 17.7085 17.7088 18.9094 18.9094 20.6340 20.6350 k = 0.3556-0.0000-0.0000 ( 1534 PWs) bands (ev): -8.5607 -8.5606 -4.5970 -4.5970 -3.8802 -3.8802 1.6184 1.6217 1.6748 1.6749 1.9535 1.9577 4.0311 4.0314 5.0136 5.0160 5.3720 5.3733 5.6801 5.6805 6.5752 6.5754 7.0628 7.0670 7.3593 7.3638 10.3423 10.3424 10.5980 10.5995 10.7966 10.7986 16.5505 16.5506 17.6753 17.6756 19.0818 19.0818 20.7642 20.7653 k = 0.3667-0.0000-0.0000 ( 1530 PWs) bands (ev): -8.5257 -8.5257 -4.6777 -4.6777 -3.8711 -3.8711 1.6612 1.6645 1.7023 1.7024 1.9801 1.9843 3.9984 3.9987 4.9741 4.9765 5.3198 5.3211 5.6302 5.6305 6.7049 6.7051 7.1007 7.1051 7.3784 7.3831 10.2190 10.2191 10.5313 10.5326 10.7227 10.7246 16.5912 16.5913 17.6405 17.6407 19.2541 19.2542 20.8945 20.8956 k = 0.3778-0.0000-0.0000 ( 1522 PWs) bands (ev): -8.4919 -8.4919 -4.7537 -4.7537 -3.8626 -3.8626 1.7020 1.7053 1.7287 1.7288 2.0056 2.0098 3.9678 3.9681 4.9336 4.9359 5.2701 5.2713 5.5823 5.5826 6.8382 6.8383 7.1381 7.1425 7.3978 7.4025 10.0946 10.0947 10.4685 10.4697 10.6522 10.6539 16.6325 16.6326 17.6041 17.6043 19.4259 19.4259 21.0240 21.0251 k = 0.3889-0.0000-0.0000 ( 1518 PWs) bands (ev): -8.4595 -8.4595 -4.8247 -4.8247 -3.8547 -3.8547 1.7406 1.7439 1.7538 1.7538 2.0299 2.0340 3.9394 3.9397 4.8935 4.8957 5.2232 5.2245 5.5368 5.5372 6.9733 6.9735 7.1744 7.1787 7.4170 7.4217 9.9693 9.9695 10.4098 10.4109 10.5854 10.5870 16.6743 16.6744 17.5664 17.5666 19.5963 19.5963 21.1517 21.1528 k = 0.4000-0.0000-0.0000 ( 1514 PWs) bands (ev): -8.4288 -8.4288 -4.8905 -4.8904 -3.8473 -3.8473 1.7767 1.7773 1.7774 1.7800 2.0526 2.0566 3.9134 3.9137 4.8548 4.8569 5.1796 5.1808 5.4943 5.4946 7.1091 7.1093 7.2094 7.2137 7.4355 7.4403 9.8437 9.8438 10.3557 10.3566 10.5228 10.5243 16.7166 16.7166 17.5277 17.5278 19.7648 19.7648 21.2764 21.2774 k = 0.4111-0.0000-0.0000 ( 1514 PWs) bands (ev): -8.4000 -8.4000 -4.9506 -4.9506 -3.8406 -3.8406 1.7991 1.7992 1.8103 1.8134 2.0736 2.0775 3.8898 3.8901 4.8182 4.8201 5.1395 5.1406 5.4551 5.4553 7.2391 7.2431 7.2483 7.2486 7.4530 7.4576 9.7181 9.7182 10.3064 10.3073 10.4648 10.4661 16.7589 16.7590 17.4881 17.4882 19.9302 19.9302 21.3967 21.3977 k = 0.4222-0.0000-0.0000 ( 1514 PWs) bands (ev): -8.3737 -8.3737 -5.0047 -5.0047 -3.8346 -3.8346 1.8189 1.8190 1.8408 1.8439 2.0928 2.0964 3.8688 3.8690 4.7844 4.7861 5.1032 5.1042 5.4195 5.4197 7.2732 7.2776 7.3792 7.3795 7.4691 7.4735 9.5933 9.5934 10.2625 10.2632 10.4118 10.4130 16.8014 16.8015 17.4479 17.4480 20.0915 20.0915 21.5112 21.5121 k = 0.4333-0.0000-0.0000 ( 1514 PWs) bands (ev): -8.3500 -8.3500 -5.0525 -5.0525 -3.8293 -3.8293 1.8366 1.8367 1.8682 1.8710 2.1098 2.1132 3.8504 3.8506 4.7540 4.7556 5.0711 5.0720 5.3879 5.3881 7.3018 7.3060 7.4825 7.4872 7.5113 7.5116 9.4703 9.4705 10.2241 10.2247 10.3643 10.3653 16.8438 16.8438 17.4073 17.4074 20.2470 20.2471 21.6178 21.6187 k = 0.4444-0.0000-0.0000 ( 1518 PWs) bands (ev): -8.3293 -8.3293 -5.0936 -5.0935 -3.8248 -3.8248 1.8519 1.8520 1.8920 1.8945 2.1246 2.1276 3.8348 3.8349 4.7275 4.7288 5.0433 5.0442 5.3606 5.3608 7.3274 7.3312 7.4952 7.4993 7.6384 7.6384 9.3508 9.3509 10.1914 10.1919 10.3228 10.3236 16.8857 16.8858 17.3668 17.3669 20.3945 20.3946 21.7145 21.7153 k = 0.4556-0.0000-0.0000 ( 1516 PWs) bands (ev): -8.3119 -8.3119 -5.1277 -5.1277 -3.8210 -3.8210 1.8648 1.8648 1.9121 1.9142 2.1370 2.1395 3.8219 3.8220 4.7052 4.7063 5.0203 5.0210 5.3379 5.3381 7.3495 7.3529 7.5053 7.5089 7.7585 7.7585 9.2371 9.2372 10.1647 10.1651 10.2878 10.2885 16.9267 16.9267 17.3270 17.3271 20.5310 20.5310 21.7989 21.7996 k = 0.4667-0.0000-0.0000 ( 1518 PWs) bands (ev): -8.2980 -8.2980 -5.1545 -5.1545 -3.8181 -3.8181 1.8749 1.8749 1.9281 1.9298 2.1468 2.1488 3.8119 3.8120 4.6876 4.6884 5.0022 5.0027 5.3200 5.3201 7.3676 7.3704 7.5132 7.5161 7.8672 7.8672 9.1335 9.1336 10.1440 10.1443 10.2599 10.2604 16.9658 16.9658 17.2886 17.2887 20.6515 20.6516 21.8518 21.8525 k = 0.4778-0.0000-0.0000 ( 1522 PWs) bands (ev): -8.2880 -8.2880 -5.1739 -5.1739 -3.8160 -3.8160 1.8822 1.8822 1.9398 1.9410 2.1540 2.1553 3.8046 3.8047 4.6748 4.6754 4.9891 4.9894 5.3071 5.3072 7.3812 7.3832 7.5189 7.5209 7.9578 7.9578 9.0466 9.0467 10.1293 10.1295 10.2394 10.2398 17.0010 17.0010 17.2540 17.2541 20.7492 20.7493 21.8084 21.8088 k = 0.4889-0.0000-0.0000 ( 1522 PWs) bands (ev): -8.2819 -8.2818 -5.1856 -5.1856 -3.8147 -3.8147 1.8867 1.8867 1.9471 1.9477 2.1585 2.1592 3.8003 3.8003 4.6672 4.6675 4.9812 4.9814 5.2993 5.2993 7.3898 7.3909 7.5224 7.5235 8.0200 8.0201 8.9866 8.9867 10.1206 10.1207 10.2270 10.2272 17.0279 17.0280 17.2274 17.2274 20.8145 20.8146 21.7752 21.7754 k = 0.5000-0.0000-0.0000 ( 1522 PWs) bands (ev): -8.2798 -8.2798 -5.1895 -5.1895 -3.8143 -3.8143 1.8881 1.8881 1.9497 1.9497 2.1602 2.1602 3.7989 3.7989 4.6647 4.6647 4.9787 4.9787 5.2967 5.2967 7.3931 7.3931 7.5240 7.5240 8.0426 8.0426 8.9648 8.9648 10.1177 10.1177 10.2229 10.2229 17.0387 17.0387 17.2168 17.2168 20.8378 20.8378 21.7626 21.7626 k = 0.5000-0.0000-0.0000 ( 1522 PWs) bands (ev): -8.2798 -8.2798 -5.1895 -5.1895 -3.8143 -3.8143 1.8881 1.8881 1.9497 1.9497 2.1602 2.1602 3.7989 3.7989 4.6647 4.6647 4.9787 4.9787 5.2967 5.2967 7.3931 7.3931 7.5240 7.5240 8.0426 8.0426 8.9648 8.9648 10.1177 10.1177 10.2229 10.2229 17.0387 17.0387 17.2168 17.2168 20.8378 20.8378 21.7626 21.7626 k = 0.5000 0.0111-0.0000 ( 1522 PWs) bands (ev): -8.2789 -8.2789 -5.1887 -5.1887 -3.8157 -3.8157 1.8598 1.8598 1.9739 1.9741 2.1589 2.1590 3.7882 3.7889 4.6808 4.6813 4.9747 4.9749 5.3061 5.3063 7.3898 7.3903 7.5161 7.5161 8.0401 8.0407 8.9711 8.9714 10.1150 10.1152 10.2240 10.2242 17.0431 17.0432 17.2206 17.2207 20.8343 20.8349 21.7597 21.7598 k = 0.5000 0.0222-0.0000 ( 1522 PWs) bands (ev): -8.2760 -8.2760 -5.1865 -5.1865 -3.8200 -3.8199 1.8094 1.8095 2.0121 2.0124 2.1551 2.1554 3.7592 3.7606 4.7271 4.7282 4.9643 4.9646 5.3331 5.3333 7.3805 7.3815 7.4928 7.4929 8.0330 8.0343 8.9895 8.9901 10.1070 10.1073 10.2275 10.2278 17.0562 17.0564 17.2321 17.2323 20.8244 20.8255 21.7509 21.7511 k = 0.5000 0.0333-0.0000 ( 1522 PWs) bands (ev): -8.2713 -8.2713 -5.1829 -5.1829 -3.8270 -3.8269 1.7513 1.7514 2.0501 2.0505 2.1490 2.1494 3.7179 3.7197 4.7979 4.7993 4.9506 4.9510 5.3743 5.3746 7.3652 7.3667 7.4557 7.4558 8.0214 8.0233 9.0189 9.0197 10.0939 10.0945 10.2334 10.2338 17.0779 17.0783 17.2513 17.2515 20.8085 20.8101 21.7363 21.7365 k = 0.5000 0.0444-0.0000 ( 1524 PWs) bands (ev): -8.2647 -8.2647 -5.1778 -5.1778 -3.8367 -3.8367 1.6870 1.6872 2.0863 2.0868 2.1408 2.1412 3.6701 3.6723 4.8870 4.8886 4.9363 4.9368 5.4269 5.4271 7.3441 7.3461 7.4062 7.4063 8.0053 8.0077 9.0570 9.0581 10.0762 10.0770 10.2415 10.2420 17.1082 17.1087 17.2779 17.2783 20.7871 20.7893 21.7157 21.7161 k = 0.5000 0.0555-0.0000 ( 1520 PWs) bands (ev): -8.2562 -8.2562 -5.1714 -5.1714 -3.8491 -3.8490 1.6167 1.6169 2.1205 2.1213 2.1309 2.1316 3.6207 3.6231 4.9233 4.9239 4.9894 4.9911 5.4885 5.4887 7.3174 7.3199 7.3466 7.3467 7.9846 7.9876 9.1015 9.1030 10.0545 10.0555 10.2519 10.2525 17.1468 17.1474 17.3120 17.3125 20.7611 20.7637 21.6892 21.6897 k = 0.5000 0.0666-0.0000 ( 1516 PWs) bands (ev): -8.2458 -8.2458 -5.1637 -5.1637 -3.8641 -3.8640 1.5403 1.5407 2.1190 2.1195 2.1543 2.1548 3.5728 3.5755 4.9128 4.9134 5.1013 5.1031 5.5575 5.5578 7.2762 7.2774 7.2881 7.2899 7.9595 7.9629 9.1500 9.1518 10.0296 10.0309 10.2645 10.2652 17.1936 17.1942 17.3534 17.3539 20.7309 20.7338 21.6568 21.6574 k = 0.5000 0.0777-0.0000 ( 1516 PWs) bands (ev): -8.2336 -8.2336 -5.1549 -5.1548 -3.8814 -3.8813 1.4581 1.4585 2.1062 2.1068 2.1863 2.1870 3.5286 3.5314 4.9054 4.9060 5.2202 5.2220 5.6330 5.6332 7.2026 7.2031 7.2505 7.2532 7.9298 7.9335 9.1998 9.2019 10.0029 10.0045 10.2791 10.2798 17.2481 17.2489 17.4018 17.4023 20.6972 20.7005 21.6185 21.6191 k = 0.5000 0.0888-0.0000 ( 1520 PWs) bands (ev): -8.2195 -8.2195 -5.1450 -5.1450 -3.9009 -3.9008 1.3701 1.3705 2.0926 2.0933 2.2175 2.2183 3.4893 3.4922 4.9012 4.9018 5.3440 5.3459 5.7141 5.7143 7.1226 7.1230 7.2095 7.2126 7.8955 7.8996 9.2478 9.2503 9.9762 9.9782 10.2956 10.2964 17.3101 17.3110 17.4568 17.4575 20.6607 20.6642 21.5743 21.5750 k = 0.5000 0.0999-0.0000 ( 1528 PWs) bands (ev): -8.2035 -8.2035 -5.1342 -5.1342 -3.9225 -3.9223 1.2766 1.2771 2.0785 2.0793 2.2482 2.2490 3.4557 3.4586 4.9005 4.9011 5.4714 5.4733 5.8000 5.8001 7.0387 7.0390 7.1646 7.1680 7.8569 7.8613 9.2907 9.2936 9.9522 9.9546 10.3139 10.3148 17.3793 17.3803 17.5184 17.5191 20.6217 20.6255 21.5243 21.5251 k = 0.5000 0.1110-0.0000 ( 1518 PWs) bands (ev): -8.1857 -8.1856 -5.1228 -5.1228 -3.9457 -3.9456 1.1781 1.1786 2.0644 2.0653 2.2786 2.2795 3.4278 3.4309 4.9032 4.9038 5.6009 5.6029 5.8901 5.8902 6.9522 6.9525 7.1164 7.1200 7.8141 7.8186 9.3243 9.3275 9.9346 9.9373 10.3340 10.3348 17.4554 17.4565 17.5863 17.5871 20.5809 20.5849 21.4690 21.4699 k = 0.5000 0.1221-0.0000 ( 1520 PWs) bands (ev): -8.1660 -8.1659 -5.1110 -5.1110 -3.9704 -3.9702 1.0750 1.0755 2.0507 2.0516 2.3088 2.3098 3.4059 3.4090 4.9092 4.9098 5.7314 5.7334 5.9836 5.9838 6.8643 6.8645 7.0651 7.0689 7.7670 7.7717 9.3440 9.3475 9.9274 9.9304 10.3555 10.3563 17.5378 17.5390 17.6600 17.6609 20.5385 20.5427 21.4086 21.4095 k = 0.5000 0.1332-0.0000 ( 1524 PWs) bands (ev): -8.1445 -8.1444 -5.0992 -5.0992 -3.9960 -3.9958 0.9679 0.9684 2.0376 2.0385 2.3391 2.3401 3.3896 3.3927 4.9185 4.9191 5.8612 5.8632 6.0798 6.0800 6.7766 6.7767 7.0117 7.0156 7.7159 7.7207 9.3464 9.3499 9.9342 9.9373 10.3784 10.3792 17.6262 17.6276 17.7392 17.7402 20.4951 20.4994 21.3435 21.3445 k = 0.5000 0.1443-0.0000 ( 1524 PWs) bands (ev): -8.1211 -8.1211 -5.0876 -5.0876 -4.0222 -4.0220 0.8572 0.8577 2.0255 2.0265 2.3695 2.3706 3.3788 3.3820 4.9309 4.9315 5.9876 5.9898 6.1775 6.1777 6.6918 6.6918 6.9569 6.9610 7.6610 7.6659 9.3303 9.3337 9.9558 9.9588 10.4024 10.4032 17.7202 17.7217 17.8237 17.8248 20.4508 20.4552 21.2743 21.2753 k = 0.5000 0.1554-0.0000 ( 1520 PWs) bands (ev): -8.0959 -8.0959 -5.0769 -5.0769 -4.0482 -4.0480 0.7436 0.7440 2.0148 2.0158 2.4002 2.4013 3.3731 3.3763 4.9463 4.9469 6.1048 6.1071 6.2749 6.2751 6.6156 6.6158 6.9027 6.9069 7.6027 7.6076 9.2974 9.3006 9.9905 9.9932 10.4275 10.4283 17.8194 17.8210 17.9131 17.9143 20.4060 20.4106 21.2014 21.2024 k = 0.5000 0.1665-0.0000 ( 1524 PWs) bands (ev): -8.0689 -8.0689 -5.0677 -5.0676 -4.0735 -4.0733 0.6273 0.6278 2.0056 2.0066 2.4312 2.4324 3.3722 3.3755 4.9646 4.9651 6.1964 6.1988 6.3683 6.3685 6.5644 6.5648 6.8523 6.8566 7.5410 7.5459 9.2510 9.2538 10.0349 10.0374 10.4535 10.4542 17.9233 17.9250 18.0071 18.0084 20.3609 20.3656 21.1253 21.1264 k = 0.5000 0.1776-0.0000 ( 1524 PWs) bands (ev): -8.0401 -8.0401 -5.0605 -5.0605 -4.0971 -4.0969 0.5090 0.5095 1.9983 1.9993 2.4626 2.4638 3.3758 3.3791 4.9856 4.9861 6.2272 6.2294 6.4493 6.4494 6.5737 6.5739 6.8144 6.8187 7.4763 7.4811 9.1943 9.1968 10.0859 10.0881 10.4801 10.4808 18.0314 18.0332 18.1052 18.1066 20.3159 20.3207 21.0468 21.0479 k = 0.5000 0.1887-0.0000 ( 1528 PWs) bands (ev): -8.0095 -8.0095 -5.0563 -5.0562 -4.1183 -4.1181 0.3890 0.3894 1.9928 1.9939 2.4944 2.4957 3.3835 3.3867 5.0092 5.0096 6.1892 6.1908 6.4984 6.4989 6.6513 6.6516 6.8079 6.8116 7.4090 7.4137 9.1298 9.1320 10.1409 10.1428 10.5073 10.5080 18.1433 18.1452 18.2072 18.2087 20.2713 20.2762 20.9664 20.9675 k = 0.5000 0.1998-0.0000 ( 1526 PWs) bands (ev): -7.9771 -7.9771 -5.0559 -5.0558 -4.1359 -4.1357 0.2678 0.2682 1.9897 1.9908 2.5266 2.5279 3.3949 3.3982 5.0353 5.0357 6.1181 6.1193 6.4974 6.4989 6.7610 6.7617 6.8510 6.8536 7.3394 7.3440 9.0596 9.0615 10.1982 10.1998 10.5350 10.5355 18.2584 18.2605 18.3126 18.3142 20.2273 20.2323 20.8846 20.8858 k = 0.5000 0.2109-0.0000 ( 1530 PWs) bands (ev): -7.9430 -7.9430 -5.0601 -5.0600 -4.1491 -4.1488 0.1456 0.1460 1.9889 1.9900 2.5592 2.5606 3.4099 3.4132 5.0636 5.0640 6.0354 6.0364 6.4583 6.4605 6.8815 6.8823 6.9306 6.9324 7.2684 7.2729 8.9850 8.9867 10.2564 10.2578 10.5628 10.5633 18.3762 18.3785 18.4211 18.4228 20.1843 20.1894 20.8019 20.8031 k = 0.5000 0.2220-0.0000 ( 1530 PWs) bands (ev): -7.9072 -7.9071 -5.0698 -5.0697 -4.1568 -4.1566 0.0228 0.0232 1.9906 1.9917 2.5922 2.5935 3.4281 3.4314 5.0941 5.0944 5.9487 5.9496 6.4016 6.4042 7.0051 7.0060 7.0238 7.0250 7.1993 7.2034 8.9071 8.9086 10.3146 10.3159 10.5908 10.5913 18.4961 18.4984 18.5324 18.5342 20.1428 20.1479 20.7190 20.7202 k = 0.5000 0.2331-0.0000 ( 1534 PWs) bands (ev): -7.8696 -7.8695 -5.0855 -5.0854 -4.1583 -4.1581 -0.1003 -0.0999 1.9948 1.9959 2.6253 2.6267 3.4493 3.4526 5.1265 5.1268 5.8609 5.8617 6.3369 6.3397 7.0812 7.0838 7.1287 7.1296 7.1722 7.1726 8.8269 8.8282 10.3722 10.3734 10.6188 10.6192 18.6172 18.6198 18.6460 18.6479 20.1030 20.1082 20.6362 20.6374 k = 0.5000 0.2442-0.0000 ( 1534 PWs) bands (ev): -7.8302 -7.8302 -5.1077 -5.1076 -4.1532 -4.1531 -0.2235 -0.2232 2.0017 2.0027 2.6587 2.6601 3.4732 3.4765 5.1607 5.1609 5.7736 5.7744 6.2682 6.2711 7.0250 7.0292 7.2506 7.2515 7.2582 7.2594 8.7452 8.7463 10.4288 10.4299 10.6467 10.6470 18.7388 18.7415 18.7616 18.7636 20.0659 20.0711 20.5539 20.5551 k = 0.5000 0.2553-0.0000 ( 1534 PWs) bands (ev): -7.7892 -7.7892 -5.1363 -5.1362 -4.1413 -4.1411 -0.3466 -0.3463 2.0111 2.0122 2.6920 2.6935 3.4996 3.5030 5.1963 5.1964 5.6877 5.6884 6.1976 6.2005 6.9491 6.9533 7.3651 7.3662 7.3696 7.3705 8.6628 8.6637 10.4840 10.4849 10.6743 10.6746 18.8596 18.8625 18.8788 18.8809 20.0321 20.0374 20.4726 20.4739 k = 0.5000 0.2664-0.0000 ( 1538 PWs) bands (ev): -7.7466 -7.7465 -5.1712 -5.1710 -4.1227 -4.1225 -0.4694 -0.4691 2.0233 2.0243 2.7251 2.7266 3.5283 3.5317 5.2329 5.2329 5.6038 5.6045 6.1262 6.1292 6.8699 6.8740 7.4745 7.4757 7.4843 7.4852 8.5807 8.5814 10.5374 10.5382 10.7016 10.7019 18.9782 18.9813 18.9971 18.9994 20.0028 20.0082 20.3927 20.3939 k = 0.5000 0.2775-0.0000 ( 1542 PWs) bands (ev): -7.7023 -7.7022 -5.2118 -5.2117 -4.0976 -4.0975 -0.5917 -0.5914 2.0381 2.0391 2.7579 2.7594 3.5591 3.5625 5.2699 5.2699 5.5226 5.5233 6.0551 6.0581 6.7892 6.7932 7.5841 7.5852 7.5933 7.5940 8.5004 8.5010 10.5888 10.5896 10.7285 10.7287 19.0924 19.0957 19.1163 19.1187 19.9799 19.9854 20.3144 20.3157 k = 0.5000 0.2886-0.0000 ( 1542 PWs) bands (ev): -7.6564 -7.6563 -5.2577 -5.2575 -4.0665 -4.0664 -0.7134 -0.7131 2.0556 2.0566 2.7900 2.7915 3.5918 3.5952 5.3063 5.3064 5.4446 5.4453 5.9857 5.9887 6.7077 6.7115 7.6925 7.6935 7.6939 7.6946 8.4246 8.4248 10.6381 10.6389 10.7549 10.7550 19.1991 19.2025 19.2359 19.2384 19.9662 19.9717 20.2381 20.2394 k = 0.5000 0.2997-0.0000 ( 1542 PWs) bands (ev): -7.6088 -7.6087 -5.3081 -5.3079 -4.0299 -4.0298 -0.8343 -0.8340 2.0757 2.0767 2.8211 2.8226 3.6262 3.6297 5.3405 5.3407 5.3704 5.3712 5.9196 5.9226 6.6257 6.6294 7.7808 7.7810 7.7998 7.8009 8.3578 8.3580 10.6851 10.6858 10.7806 10.7807 19.2939 19.2973 19.3556 19.3581 19.9656 19.9710 20.1641 20.1654 k = 0.5000 0.3108-0.0000 ( 1542 PWs) bands (ev): -7.5597 -7.5596 -5.3626 -5.3624 -3.9883 -3.9882 -0.9543 -0.9540 2.0983 2.0993 2.8509 2.8524 3.6622 3.6657 5.3007 5.3014 5.3699 5.3702 5.8597 5.8627 6.5437 6.5473 7.8445 7.8448 7.9046 7.9058 8.3095 8.3102 10.7297 10.7303 10.8057 10.8058 19.3715 19.3746 19.4747 19.4774 19.9832 19.9882 20.0926 20.0939 k = 0.5000 0.3219-0.0000 ( 1542 PWs) bands (ev): -7.5091 -7.5090 -5.4204 -5.4202 -3.9421 -3.9420 -1.0733 -1.0730 2.1234 2.1244 2.8789 2.8803 3.6996 3.7031 5.2360 5.2367 5.3899 5.3902 5.8106 5.8135 6.4621 6.4656 7.8702 7.8710 8.0068 8.0080 8.2944 8.2957 10.7717 10.7722 10.8300 10.8301 19.4273 19.4298 19.5930 19.5958 20.0216 20.0241 20.0252 20.0284 k = 0.5000 0.3330-0.0000 ( 1546 PWs) bands (ev): -7.4570 -7.4569 -5.4811 -5.4809 -3.8918 -3.8917 -1.1911 -1.1909 2.1510 2.1519 2.9045 2.9060 3.7383 3.7417 5.1771 5.1778 5.3940 5.3942 5.7786 5.7812 6.3814 6.3847 7.8514 7.8524 8.1059 8.1070 8.3193 8.3210 10.8110 10.8115 10.8535 10.8535 19.4607 19.4625 19.7098 19.7128 19.9581 19.9597 20.0847 20.0881 k = 0.5000 0.3441-0.0000 ( 1548 PWs) bands (ev): -7.4033 -7.4032 -5.5442 -5.5440 -3.8375 -3.8374 -1.3079 -1.3077 2.1808 2.1818 2.9274 2.9287 3.7781 3.7815 5.1245 5.1252 5.3769 5.3770 5.7684 5.7707 6.3023 6.3054 7.7998 7.8009 8.2014 8.2026 8.3724 8.3741 10.8475 10.8480 10.8760 10.8761 19.4758 19.4769 19.8231 19.8273 19.8963 19.8990 20.1635 20.1660 k = 0.5000 0.3552-0.0000 ( 1556 PWs) bands (ev): -7.3483 -7.3482 -5.6094 -5.6092 -3.7798 -3.7797 -1.4233 -1.4231 2.2129 2.2138 2.9468 2.9481 3.8190 3.8223 5.0789 5.0797 5.3392 5.3395 5.7784 5.7802 6.2260 6.2290 7.7307 7.7317 8.2930 8.2941 8.4381 8.4399 10.8812 10.8817 10.8976 10.8977 19.4783 19.4787 19.8348 19.8348 19.9409 19.9425 20.2528 20.2545 k = 0.5000 0.3663-0.0000 ( 1548 PWs) bands (ev): -7.2918 -7.2917 -5.6762 -5.6760 -3.7187 -3.7186 -1.5373 -1.5371 2.2471 2.2480 2.9622 2.9634 3.8609 3.8642 5.0412 5.0419 5.2868 5.2873 5.8003 5.8017 6.1555 6.1583 7.6529 7.6538 8.3802 8.3814 8.5075 8.5092 10.9122 10.9125 10.9183 10.9183 19.4731 19.4731 19.7795 19.7802 20.0501 20.0524 20.3469 20.3480 k = 0.5000 0.3774-0.0000 ( 1548 PWs) bands (ev): -7.2340 -7.2339 -5.7444 -5.7442 -3.6544 -3.6543 -1.6499 -1.6497 2.2833 2.2842 2.9731 2.9741 3.9039 3.9070 5.0116 5.0123 5.2256 5.2263 5.8220 5.8230 6.0972 6.0997 7.5707 7.5715 8.4626 8.4638 8.5759 8.5776 10.9377 10.9378 10.9402 10.9406 19.4633 19.4636 19.7273 19.7282 20.1569 20.1594 20.4413 20.4420 k = 0.5000 0.3885-0.0000 ( 1552 PWs) bands (ev): -7.1749 -7.1747 -5.8137 -5.8135 -3.5873 -3.5872 -1.7610 -1.7608 2.3213 2.3221 2.9787 2.9797 3.9479 3.9509 4.9908 4.9915 5.1596 5.1602 5.8263 5.8265 6.0651 6.0668 7.4862 7.4870 8.5398 8.5410 8.6411 8.6427 10.9562 10.9562 10.9652 10.9655 19.4515 19.4521 19.6788 19.6797 20.2599 20.2624 20.5329 20.5332 k = 0.5000 0.3996-0.0000 ( 1552 PWs) bands (ev): -7.1144 -7.1143 -5.8837 -5.8835 -3.5173 -3.5172 -1.8705 -1.8703 2.3609 2.3617 2.9789 2.9797 3.9932 3.9960 4.9790 4.9796 5.0908 5.0915 5.7976 5.7983 6.0717 6.0725 7.4007 7.4013 8.6114 8.6126 8.7018 8.7034 10.9734 10.9734 10.9873 10.9876 19.4393 19.4401 19.6341 19.6350 20.3585 20.3611 20.6193 20.6193 k = 0.5000 0.4107-0.0000 ( 1548 PWs) bands (ev): -7.0528 -7.0526 -5.9544 -5.9542 -3.4446 -3.4445 -1.9784 -1.9782 2.4020 2.4028 2.9734 2.9740 4.0399 4.0425 4.9763 4.9767 5.0209 5.0215 5.7443 5.7455 6.1080 6.1084 7.3147 7.3153 8.6771 8.6784 8.7571 8.7586 10.9894 10.9895 11.0065 11.0068 19.4276 19.4285 19.5932 19.5942 20.4521 20.4547 20.6983 20.6986 k = 0.5000 0.4217-0.0000 ( 1544 PWs) bands (ev): -6.9899 -6.9898 -6.0255 -6.0253 -3.3694 -3.3693 -2.0846 -2.0845 2.4443 2.4451 2.9621 2.9626 4.0881 4.0905 4.9504 4.9508 4.9825 4.9830 5.6803 5.6817 6.1598 6.1599 7.2289 7.2295 8.7366 8.7379 8.8063 8.8079 11.0042 11.0042 11.0229 11.0232 19.4170 19.4180 19.5563 19.5573 20.5399 20.5426 20.7686 20.7691 k = 0.5000 0.4328-0.0000 ( 1544 PWs) bands (ev): -6.9260 -6.9258 -6.0969 -6.0967 -3.2917 -3.2916 -2.1892 -2.1890 2.4876 2.4883 2.9451 2.9455 4.1380 4.1402 4.8801 4.8805 4.9972 4.9975 5.6127 5.6141 6.2196 6.2197 7.1435 7.1440 8.7894 8.7907 8.8491 8.8506 11.0175 11.0175 11.0365 11.0367 19.4080 19.4091 19.5233 19.5243 20.6212 20.6238 20.8286 20.8293 k = 0.5000 0.4439-0.0000 ( 1540 PWs) bands (ev): -6.8610 -6.8608 -6.1683 -6.1681 -3.2116 -3.2115 -2.2919 -2.2918 2.5317 2.5323 2.9228 2.9231 4.1898 4.1917 4.8104 4.8107 5.0200 5.0201 5.5444 5.5457 6.2845 6.2846 7.0587 7.0592 8.8354 8.8367 8.8851 8.8866 11.0294 11.0294 11.0474 11.0476 19.4011 19.4021 19.4942 19.4953 20.6954 20.6979 20.8772 20.8782 k = 0.5000 0.4550-0.0000 ( 1532 PWs) bands (ev): -6.7949 -6.7948 -6.2397 -6.2395 -3.1292 -3.1291 -2.3928 -2.3927 2.5762 2.5768 2.8958 2.8959 4.2436 4.2452 4.7416 4.7417 5.0502 5.0502 5.4769 5.4781 6.3530 6.3530 6.9748 6.9752 8.8743 8.8756 8.9140 8.9155 11.0398 11.0398 11.0556 11.0558 19.3964 19.3975 19.4690 19.4701 20.7616 20.7641 20.9137 20.9149 k = 0.5000 0.4661-0.0000 ( 1532 PWs) bands (ev): -6.7280 -6.7278 -6.3109 -6.3107 -3.0445 -3.0444 -2.4919 -2.4918 2.6207 2.6213 2.8644 2.8644 4.2994 4.3007 4.6738 4.6738 5.0869 5.0871 5.4111 5.4122 6.4242 6.4243 6.8919 6.8922 8.9059 8.9072 8.9357 8.9371 11.0486 11.0486 11.0613 11.0614 19.3943 19.3954 19.4477 19.4488 20.8191 20.8214 20.9373 20.9387 k = 0.5000 0.4772-0.0000 ( 1528 PWs) bands (ev): -6.6601 -6.6600 -6.3818 -6.3816 -2.9576 -2.9575 -2.5890 -2.5889 2.6650 2.6654 2.8293 2.8294 4.3572 4.3583 4.6072 4.6074 5.1297 5.1300 5.3478 5.3487 6.4978 6.4979 6.8102 6.8105 8.9300 8.9313 8.9498 8.9512 11.0557 11.0557 11.0645 11.0646 19.3951 19.3962 19.4301 19.4312 20.8671 20.8693 20.9480 20.9495 k = 0.5000 0.4883-0.0000 ( 1532 PWs) bands (ev): -6.5915 -6.5914 -6.4523 -6.4521 -2.8685 -2.8684 -2.6842 -2.6841 2.7084 2.7089 2.7911 2.7914 4.4170 4.4178 4.5421 4.5425 5.1777 5.1782 5.2874 5.2882 6.5734 6.5735 6.7298 6.7300 8.9464 8.9478 8.9563 8.9577 11.0609 11.0609 11.0654 11.0655 19.3988 19.3999 19.4161 19.4172 20.9047 20.9067 20.9458 20.9475 k = 0.5000 0.4994-0.0000 ( 1532 PWs) bands (ev): -6.5222 -6.5222 -6.5220 -6.5220 -2.7774 -2.7774 -2.7773 -2.7773 2.7507 2.7507 2.7510 2.7510 4.4786 4.4786 4.4792 4.4792 5.2305 5.2305 5.2312 5.2312 6.6508 6.6508 6.6510 6.6510 8.9552 8.9552 8.9566 8.9566 11.0642 11.0642 11.0642 11.0642 19.4058 19.4058 19.4068 19.4068 20.9311 20.9311 20.9330 20.9330 k = 0.5000 0.4994-0.0000 ( 1532 PWs) bands (ev): -6.5222 -6.5222 -6.5220 -6.5220 -2.7774 -2.7774 -2.7773 -2.7773 2.7507 2.7507 2.7510 2.7510 4.4786 4.4786 4.4792 4.4792 5.2305 5.2305 5.2312 5.2312 6.6508 6.6508 6.6510 6.6510 8.9552 8.9552 8.9566 8.9566 11.0642 11.0642 11.0642 11.0642 19.4058 19.4058 19.4068 19.4068 20.9311 20.9311 20.9330 20.9330 k = 0.4889 0.4994-0.0000 ( 1530 PWs) bands (ev): -6.5236 -6.5236 -6.5234 -6.5234 -2.7747 -2.7747 -2.7745 -2.7745 2.7490 2.7490 2.7494 2.7494 4.4763 4.4763 4.4770 4.4770 5.2337 5.2337 5.2344 5.2344 6.6541 6.6541 6.6543 6.6543 8.9515 8.9515 8.9529 8.9529 11.0632 11.0632 11.0632 11.0632 19.4072 19.4072 19.4084 19.4084 20.9273 20.9273 20.9292 20.9292 k = 0.4778 0.4994-0.0000 ( 1528 PWs) bands (ev): -6.5277 -6.5277 -6.5275 -6.5275 -2.7664 -2.7664 -2.7663 -2.7663 2.7441 2.7441 2.7445 2.7445 4.4695 4.4695 4.4702 4.4702 5.2434 5.2434 5.2441 5.2441 6.6642 6.6642 6.6644 6.6644 8.9405 8.9405 8.9419 8.9419 11.0601 11.0601 11.0602 11.0602 19.4116 19.4116 19.4128 19.4128 20.9158 20.9158 20.9178 20.9178 k = 0.4667 0.4994-0.0000 ( 1532 PWs) bands (ev): -6.5344 -6.5344 -6.5343 -6.5343 -2.7528 -2.7528 -2.7527 -2.7527 2.7360 2.7360 2.7365 2.7365 4.4583 4.4583 4.4591 4.4591 5.2592 5.2592 5.2599 5.2599 6.6807 6.6807 6.6809 6.6809 8.9222 8.9222 8.9236 8.9236 11.0550 11.0550 11.0552 11.0552 19.4188 19.4188 19.4200 19.4200 20.8970 20.8970 20.8991 20.8991 k = 0.4556 0.4994-0.0000 ( 1532 PWs) bands (ev): -6.5438 -6.5438 -6.5436 -6.5436 -2.7338 -2.7338 -2.7337 -2.7337 2.7250 2.7250 2.7256 2.7256 4.4430 4.4430 4.4440 4.4440 5.2811 5.2811 5.2818 5.2818 6.7036 6.7036 6.7037 6.7037 8.8968 8.8968 8.8982 8.8982 11.0479 11.0479 11.0481 11.0481 19.4286 19.4286 19.4299 19.4299 20.8713 20.8713 20.8735 20.8735 k = 0.4444 0.4994-0.0000 ( 1540 PWs) bands (ev): -6.5556 -6.5556 -6.5554 -6.5554 -2.7097 -2.7097 -2.7096 -2.7096 2.7111 2.7111 2.7118 2.7118 4.4240 4.4240 4.4252 4.4252 5.3086 5.3086 5.3093 5.3093 6.7323 6.7323 6.7325 6.7325 8.8645 8.8645 8.8659 8.8659 11.0387 11.0387 11.0390 11.0390 19.4408 19.4408 19.4421 19.4421 20.8391 20.8391 20.8415 20.8415 k = 0.4333 0.4994-0.0000 ( 1544 PWs) bands (ev): -6.5698 -6.5698 -6.5696 -6.5696 -2.6806 -2.6806 -2.6804 -2.6804 2.6948 2.6948 2.6956 2.6956 4.4018 4.4018 4.4031 4.4031 5.3414 5.3414 5.3421 5.3421 6.7666 6.7666 6.7668 6.7668 8.8255 8.8255 8.8269 8.8269 11.0275 11.0275 11.0278 11.0278 19.4551 19.4551 19.4565 19.4565 20.8012 20.8012 20.8037 20.8037 k = 0.4222 0.4994-0.0000 ( 1544 PWs) bands (ev): -6.5862 -6.5862 -6.5860 -6.5860 -2.6466 -2.6466 -2.6464 -2.6464 2.6763 2.6763 2.6772 2.6772 4.3768 4.3768 4.3781 4.3781 5.3791 5.3791 5.3799 5.3799 6.8059 6.8059 6.8061 6.8061 8.7802 8.7802 8.7816 8.7816 11.0142 11.0142 11.0146 11.0146 19.4710 19.4710 19.4726 19.4726 20.7581 20.7581 20.7608 20.7608 k = 0.4111 0.4994-0.0000 ( 1544 PWs) bands (ev): -6.6045 -6.6045 -6.6044 -6.6044 -2.6080 -2.6080 -2.6078 -2.6078 2.6559 2.6559 2.6569 2.6569 4.3493 4.3493 4.3508 4.3508 5.4214 5.4214 5.4221 5.4221 6.8499 6.8499 6.8501 6.8501 8.7289 8.7289 8.7303 8.7303 10.9988 10.9988 10.9993 10.9993 19.4879 19.4879 19.4896 19.4896 20.7104 20.7104 20.7134 20.7134 k = 0.4000 0.4994-0.0000 ( 1552 PWs) bands (ev): -6.6248 -6.6248 -6.6246 -6.6246 -2.5651 -2.5651 -2.5649 -2.5649 2.6339 2.6339 2.6351 2.6351 4.3198 4.3198 4.3214 4.3214 5.4676 5.4676 5.4683 5.4683 6.8980 6.8980 6.8982 6.8982 8.6720 8.6720 8.6734 8.6734 10.9814 10.9814 10.9819 10.9819 19.5049 19.5049 19.5068 19.5068 20.6593 20.6593 20.6625 20.6625 k = 0.3889 0.4994-0.0000 ( 1552 PWs) bands (ev): -6.6467 -6.6467 -6.6465 -6.6465 -2.5180 -2.5180 -2.5178 -2.5178 2.6108 2.6108 2.6120 2.6120 4.2887 4.2887 4.2904 4.2904 5.5174 5.5174 5.5181 5.5181 6.9496 6.9496 6.9499 6.9499 8.6101 8.6101 8.6116 8.6116 10.9620 10.9620 10.9625 10.9625 19.5209 19.5209 19.5231 19.5231 20.6060 20.6060 20.6095 20.6095 k = 0.3778 0.4994-0.0000 ( 1548 PWs) bands (ev): -6.6700 -6.6700 -6.6699 -6.6699 -2.4671 -2.4671 -2.4669 -2.4669 2.5867 2.5867 2.5881 2.5881 4.2565 4.2565 4.2582 4.2582 5.5702 5.5702 5.5710 5.5710 7.0043 7.0043 7.0045 7.0045 8.5439 8.5439 8.5453 8.5453 10.9405 10.9405 10.9411 10.9411 19.5345 19.5345 19.5370 19.5370 20.5520 20.5520 20.5558 20.5558 k = 0.3667 0.4994-0.0000 ( 1548 PWs) bands (ev): -6.6946 -6.6946 -6.6944 -6.6944 -2.4127 -2.4127 -2.4125 -2.4125 2.5621 2.5621 2.5636 2.5636 4.2234 4.2234 4.2252 4.2252 5.6256 5.6256 5.6264 5.6264 7.0612 7.0612 7.0615 7.0615 8.4739 8.4739 8.4753 8.4753 10.9170 10.9170 10.9176 10.9176 19.5436 19.5436 19.5464 19.5464 20.4994 20.4994 20.5036 20.5036 k = 0.3556 0.4994-0.0000 ( 1552 PWs) bands (ev): -6.7202 -6.7202 -6.7201 -6.7201 -2.3550 -2.3550 -2.3548 -2.3548 2.5373 2.5373 2.5388 2.5388 4.1897 4.1897 4.1916 4.1916 5.6830 5.6830 5.6838 5.6838 7.1200 7.1200 7.1203 7.1203 8.4011 8.4011 8.4025 8.4025 10.8915 10.8915 10.8921 10.8921 19.5457 19.5457 19.5488 19.5488 20.4508 20.4508 20.4554 20.4554 k = 0.3444 0.4994-0.0000 ( 1548 PWs) bands (ev): -6.7467 -6.7467 -6.7466 -6.7466 -2.2944 -2.2944 -2.2941 -2.2941 2.5125 2.5125 2.5141 2.5141 4.1558 4.1558 4.1577 4.1577 5.7419 5.7419 5.7427 5.7427 7.1795 7.1795 7.1798 7.1798 8.3266 8.3266 8.3280 8.3280 10.8640 10.8640 10.8646 10.8646 19.5380 19.5380 19.5413 19.5413 20.4094 20.4094 20.4143 20.4143 k = 0.3333 0.4994-0.0000 ( 1542 PWs) bands (ev): -6.7739 -6.7739 -6.7738 -6.7738 -2.2311 -2.2311 -2.2308 -2.2308 2.4880 2.4880 2.4897 2.4897 4.1219 4.1219 4.1239 4.1239 5.8014 5.8014 5.8023 5.8023 7.2387 7.2387 7.2392 7.2392 8.2518 8.2518 8.2533 8.2533 10.8345 10.8345 10.8352 10.8352 19.5176 19.5176 19.5211 19.5211 20.3782 20.3782 20.3833 20.3833 k = 0.3222 0.4994-0.0000 ( 1542 PWs) bands (ev): -6.8016 -6.8016 -6.8015 -6.8015 -2.1654 -2.1654 -2.1651 -2.1651 2.4641 2.4641 2.4659 2.4659 4.0884 4.0884 4.0904 4.0904 5.8609 5.8609 5.8618 5.8618 7.2963 7.2963 7.2968 7.2968 8.1788 8.1788 8.1803 8.1803 10.8031 10.8031 10.8038 10.8038 19.4825 19.4825 19.4861 19.4861 20.3594 20.3594 20.3646 20.3646 k = 0.3111 0.4994-0.0000 ( 1542 PWs) bands (ev): -6.8297 -6.8297 -6.8295 -6.8295 -2.0977 -2.0977 -2.0974 -2.0974 2.4410 2.4410 2.4429 2.4429 4.0554 4.0554 4.0575 4.0575 5.9194 5.9194 5.9203 5.9203 7.3500 7.3500 7.3506 7.3506 8.1104 8.1104 8.1120 8.1120 10.7698 10.7698 10.7706 10.7706 19.4321 19.4321 19.4356 19.4356 20.3538 20.3538 20.3591 20.3591 k = 0.3000 0.4994-0.0000 ( 1542 PWs) bands (ev): -6.8579 -6.8579 -6.8578 -6.8578 -2.0283 -2.0283 -2.0279 -2.0279 2.4189 2.4189 2.4209 2.4209 4.0231 4.0231 4.0253 4.0253 5.9758 5.9758 5.9768 5.9768 7.3966 7.3966 7.3973 7.3973 8.0508 8.0508 8.0524 8.0524 10.7347 10.7347 10.7355 10.7355 19.3674 19.3674 19.3707 19.3707 20.3607 20.3607 20.3659 20.3659 k = 0.2889 0.4994-0.0000 ( 1546 PWs) bands (ev): -6.8861 -6.8861 -6.8860 -6.8860 -1.9575 -1.9575 -1.9571 -1.9571 2.3982 2.3982 2.4003 2.4003 3.9918 3.9918 3.9941 3.9941 6.0286 6.0286 6.0297 6.0297 7.4315 7.4315 7.4325 7.4325 8.0057 8.0057 8.0073 8.0073 10.6978 10.6978 10.6986 10.6986 19.2903 19.2903 19.2934 19.2934 20.3781 20.3781 20.3832 20.3832 k = 0.2778 0.4994-0.0000 ( 1542 PWs) bands (ev): -6.9142 -6.9142 -6.9141 -6.9141 -1.8856 -1.8856 -1.8852 -1.8852 2.3789 2.3789 2.3811 2.3811 3.9617 3.9617 3.9640 3.9640 6.0762 6.0762 6.0774 6.0774 7.4502 7.4502 7.4513 7.4513 7.9815 7.9815 7.9831 7.9831 10.6591 10.6591 10.6599 10.6599 19.2033 19.2033 19.2062 19.2062 20.4039 20.4039 20.4089 20.4089 k = 0.2667 0.4994-0.0000 ( 1538 PWs) bands (ev): -6.9421 -6.9421 -6.9420 -6.9420 -1.8130 -1.8130 -1.8125 -1.8125 2.3612 2.3612 2.3635 2.3635 3.9330 3.9330 3.9354 3.9354 6.1164 6.1164 6.1177 6.1177 7.4507 7.4507 7.4520 7.4520 7.9820 7.9820 7.9835 7.9835 10.6187 10.6187 10.6196 10.6196 19.1089 19.1089 19.1115 19.1115 20.4357 20.4357 20.4405 20.4405 k = 0.2556 0.4994-0.0000 ( 1534 PWs) bands (ev): -6.9696 -6.9696 -6.9695 -6.9695 -1.7399 -1.7399 -1.7394 -1.7394 2.3454 2.3454 2.3478 2.3478 3.9058 3.9058 3.9083 3.9083 6.1464 6.1464 6.1479 6.1479 7.4372 7.4372 7.4386 7.4386 8.0056 8.0056 8.0069 8.0069 10.5767 10.5767 10.5776 10.5776 19.0088 19.0088 19.0113 19.0113 20.4715 20.4715 20.4762 20.4762 k = 0.2444 0.4994-0.0000 ( 1534 PWs) bands (ev): -6.9966 -6.9966 -6.9965 -6.9965 -1.6668 -1.6668 -1.6663 -1.6663 2.3315 2.3315 2.3340 2.3340 3.8804 3.8804 3.8830 3.8830 6.1636 6.1636 6.1652 6.1652 7.4182 7.4182 7.4197 7.4197 8.0462 8.0462 8.0474 8.0474 10.5331 10.5331 10.5340 10.5340 18.9050 18.9050 18.9072 18.9072 20.5096 20.5096 20.5142 20.5142 k = 0.2333 0.4994-0.0000 ( 1534 PWs) bands (ev): -7.0230 -7.0230 -7.0229 -7.0229 -1.5939 -1.5939 -1.5934 -1.5934 2.3197 2.3197 2.3223 2.3223 3.8570 3.8570 3.8596 3.8596 6.1652 6.1652 6.1670 6.1670 7.4022 7.4022 7.4039 7.4039 8.0981 8.0981 8.0991 8.0991 10.4881 10.4881 10.4890 10.4890 18.7988 18.7988 18.8008 18.8008 20.5486 20.5486 20.5532 20.5532 k = 0.2222 0.4994-0.0000 ( 1530 PWs) bands (ev): -7.0487 -7.0487 -7.0486 -7.0486 -1.5216 -1.5216 -1.5210 -1.5210 2.3101 2.3101 2.3128 2.3128 3.8357 3.8357 3.8384 3.8384 6.1494 6.1494 6.1512 6.1512 7.3955 7.3955 7.3972 7.3972 8.1566 8.1566 8.1576 8.1576 10.4416 10.4416 10.4425 10.4425 18.6913 18.6913 18.6932 18.6932 20.5872 20.5872 20.5918 20.5918 k = 0.2111 0.4994-0.0000 ( 1530 PWs) bands (ev): -7.0737 -7.0737 -7.0736 -7.0736 -1.4503 -1.4503 -1.4497 -1.4497 2.3028 2.3028 2.3056 2.3056 3.8167 3.8167 3.8195 3.8195 6.1155 6.1155 6.1173 6.1173 7.4014 7.4014 7.4031 7.4031 8.2190 8.2190 8.2199 8.2199 10.3937 10.3937 10.3947 10.3947 18.5837 18.5837 18.5855 18.5855 20.6244 20.6244 20.6290 20.6290 k = 0.2000 0.4994-0.0000 ( 1526 PWs) bands (ev): -7.0978 -7.0978 -7.0977 -7.0977 -1.3803 -1.3803 -1.3796 -1.3796 2.2978 2.2978 2.3007 2.3007 3.8003 3.8003 3.8032 3.8032 6.0644 6.0644 6.0663 6.0663 7.4206 7.4206 7.4223 7.4223 8.2834 8.2834 8.2843 8.2843 10.3446 10.3446 10.3456 10.3456 18.4768 18.4768 18.4784 18.4784 20.6594 20.6594 20.6639 20.6639 k = 0.1889 0.4994-0.0000 ( 1532 PWs) bands (ev): -7.1210 -7.1210 -7.1209 -7.1209 -1.3119 -1.3119 -1.3113 -1.3113 2.2951 2.2951 2.2982 2.2982 3.7867 3.7867 3.7897 3.7897 5.9984 5.9984 6.0003 6.0003 7.4521 7.4521 7.4537 7.4537 8.3484 8.3484 8.3493 8.3493 10.2943 10.2943 10.2953 10.2953 18.3713 18.3713 18.3728 18.3728 20.6914 20.6914 20.6958 20.6958 k = 0.1778 0.4994-0.0000 ( 1524 PWs) bands (ev): -7.1431 -7.1431 -7.1430 -7.1430 -1.2455 -1.2455 -1.2448 -1.2448 2.2948 2.2948 2.2980 2.2980 3.7761 3.7761 3.7792 3.7792 5.9200 5.9200 5.9219 5.9219 7.4940 7.4940 7.4956 7.4956 8.4132 8.4132 8.4140 8.4140 10.2431 10.2431 10.2441 10.2441 18.2681 18.2681 18.2695 18.2695 20.7200 20.7200 20.7244 20.7244 k = 0.1667 0.4994-0.0000 ( 1524 PWs) bands (ev): -7.1642 -7.1642 -7.1641 -7.1641 -1.1815 -1.1815 -1.1808 -1.1808 2.2967 2.2967 2.3000 2.3000 3.7689 3.7689 3.7720 3.7720 5.8320 5.8320 5.8339 5.8339 7.5440 7.5440 7.5455 7.5455 8.4769 8.4769 8.4778 8.4778 10.1911 10.1911 10.1921 10.1921 18.1677 18.1677 18.1690 18.1690 20.7449 20.7449 20.7492 20.7492 k = 0.1556 0.4994-0.0000 ( 1524 PWs) bands (ev): -7.1842 -7.1842 -7.1841 -7.1841 -1.1201 -1.1201 -1.1193 -1.1193 2.3008 2.3008 2.3041 2.3041 3.7651 3.7651 3.7684 3.7684 5.7367 5.7367 5.7386 5.7386 7.6001 7.6001 7.6016 7.6016 8.5392 8.5392 8.5400 8.5400 10.1383 10.1383 10.1393 10.1393 18.0708 18.0708 18.0719 18.0719 20.7659 20.7659 20.7701 20.7701 k = 0.1444 0.4994-0.0000 ( 1520 PWs) bands (ev): -7.2030 -7.2030 -7.2029 -7.2029 -1.0617 -1.0617 -1.0609 -1.0609 2.3068 2.3068 2.3102 2.3102 3.7653 3.7653 3.7686 3.7686 5.6363 5.6363 5.6382 5.6382 7.6606 7.6606 7.6620 7.6620 8.5993 8.5993 8.6002 8.6002 10.0851 10.0851 10.0861 10.0861 17.9778 17.9778 17.9789 17.9789 20.7832 20.7832 20.7873 20.7873 k = 0.1333 0.4994-0.0000 ( 1524 PWs) bands (ev): -7.2206 -7.2206 -7.2205 -7.2205 -1.0065 -1.0065 -1.0057 -1.0057 2.3145 2.3145 2.3180 2.3180 3.7695 3.7695 3.7729 3.7729 5.5324 5.5324 5.5343 5.5343 7.7237 7.7237 7.7251 7.7251 8.6570 8.6570 8.6579 8.6579 10.0317 10.0317 10.0327 10.0327 17.8894 17.8894 17.8904 17.8904 20.7969 20.7969 20.8008 20.8008 k = 0.1222 0.4994-0.0000 ( 1524 PWs) bands (ev): -7.2369 -7.2369 -7.2368 -7.2368 -0.9549 -0.9549 -0.9541 -0.9541 2.3236 2.3236 2.3272 2.3272 3.7782 3.7782 3.7817 3.7817 5.4264 5.4264 5.4283 5.4283 7.7884 7.7884 7.7896 7.7896 8.7118 8.7118 8.7127 8.7127 9.9784 9.9784 9.9793 9.9793 17.8060 17.8060 17.8069 17.8069 20.8074 20.8074 20.8112 20.8112 k = 0.1111 0.4994-0.0000 ( 1524 PWs) bands (ev): -7.2519 -7.2519 -7.2518 -7.2518 -0.9071 -0.9071 -0.9062 -0.9062 2.3339 2.3339 2.3375 2.3375 3.7915 3.7915 3.7951 3.7951 5.3196 5.3196 5.3215 5.3215 7.8534 7.8534 7.8545 7.8545 8.7633 8.7633 8.7642 8.7642 9.9255 9.9255 9.9265 9.9265 17.7281 17.7281 17.7289 17.7289 20.8152 20.8152 20.8188 20.8188 k = 0.1000 0.4994-0.0000 ( 1514 PWs) bands (ev): -7.2655 -7.2655 -7.2655 -7.2655 -0.8632 -0.8632 -0.8623 -0.8623 2.3450 2.3450 2.3487 2.3487 3.8098 3.8098 3.8134 3.8134 5.2130 5.2130 5.2149 5.2149 7.9176 7.9176 7.9187 7.9187 8.8111 8.8111 8.8121 8.8121 9.8736 9.8736 9.8745 9.8745 17.6561 17.6561 17.6569 17.6569 20.8206 20.8206 20.8241 20.8241 k = 0.0889 0.4994-0.0000 ( 1516 PWs) bands (ev): -7.2779 -7.2779 -7.2778 -7.2778 -0.8236 -0.8236 -0.8227 -0.8227 2.3563 2.3563 2.3601 2.3601 3.8330 3.8330 3.8367 3.8367 5.1076 5.1076 5.1096 5.1096 7.9799 7.9799 7.9809 7.9809 8.8549 8.8549 8.8560 8.8560 9.8231 9.8231 9.8239 9.8239 17.5905 17.5905 17.5911 17.5911 20.8241 20.8241 20.8273 20.8273 k = 0.0778 0.4994-0.0000 ( 1516 PWs) bands (ev): -7.2888 -7.2888 -7.2887 -7.2887 -0.7883 -0.7883 -0.7873 -0.7873 2.3676 2.3676 2.3714 2.3714 3.8614 3.8614 3.8652 3.8652 5.0045 5.0045 5.0065 5.0065 8.0394 8.0394 8.0404 8.0404 8.8945 8.8945 8.8956 8.8956 9.7747 9.7747 9.7756 9.7756 17.5316 17.5316 17.5322 17.5322 20.8261 20.8261 20.8292 20.8292 k = 0.0667 0.4994-0.0000 ( 1516 PWs) bands (ev): -7.2983 -7.2983 -7.2982 -7.2982 -0.7575 -0.7575 -0.7565 -0.7565 2.3784 2.3784 2.3822 2.3822 3.8946 3.8946 3.8985 3.8985 4.9046 4.9046 4.9066 4.9066 8.0949 8.0949 8.0958 8.0958 8.9294 8.9294 8.9305 8.9305 9.7294 9.7294 9.7301 9.7301 17.4799 17.4799 17.4803 17.4803 20.8270 20.8270 20.8299 20.8299 k = 0.0556 0.4994-0.0000 ( 1520 PWs) bands (ev): -7.3064 -7.3064 -7.3063 -7.3063 -0.7312 -0.7312 -0.7303 -0.7303 2.3883 2.3883 2.3921 2.3921 3.9322 3.9322 3.9362 3.9362 4.8092 4.8092 4.8113 4.8113 8.1452 8.1452 8.1460 8.1460 8.9595 8.9595 8.9607 8.9607 9.6879 9.6879 9.6886 9.6886 17.4354 17.4354 17.4359 17.4359 20.8271 20.8271 20.8299 20.8299 k = 0.0444 0.4994-0.0000 ( 1522 PWs) bands (ev): -7.3131 -7.3131 -7.3130 -7.3130 -0.7097 -0.7097 -0.7087 -0.7087 2.3969 2.3969 2.4008 2.4008 3.9733 3.9733 3.9774 3.9774 4.7199 4.7199 4.7222 4.7222 8.1891 8.1891 8.1897 8.1897 8.9845 8.9845 8.9857 8.9857 9.6516 9.6516 9.6521 9.6521 17.3988 17.3988 17.3991 17.3991 20.8268 20.8268 20.8294 20.8294 k = 0.0333 0.4994-0.0000 ( 1518 PWs) bands (ev): -7.3182 -7.3182 -7.3181 -7.3181 -0.6928 -0.6928 -0.6919 -0.6919 2.4040 2.4040 2.4078 2.4078 4.0157 4.0157 4.0200 4.0200 4.6395 4.6395 4.6418 4.6418 8.2252 8.2252 8.2257 8.2257 9.0042 9.0042 9.0054 9.0054 9.6215 9.6215 9.6219 9.6219 17.3700 17.3700 17.3703 17.3703 20.8264 20.8264 20.8289 20.8289 k = 0.0222 0.4994-0.0000 ( 1522 PWs) bands (ev): -7.3219 -7.3219 -7.3219 -7.3219 -0.6808 -0.6808 -0.6798 -0.6798 2.4092 2.4092 2.4130 2.4130 4.0556 4.0556 4.0601 4.0601 4.5719 4.5719 4.5745 4.5745 8.2521 8.2521 8.2525 8.2525 9.0184 9.0184 9.0197 9.0197 9.5989 9.5989 9.5992 9.5992 17.3493 17.3493 17.3495 17.3495 20.8259 20.8259 20.8283 20.8283 k = 0.0111 0.4994-0.0000 ( 1522 PWs) bands (ev): -7.3242 -7.3242 -7.3241 -7.3241 -0.6736 -0.6736 -0.6726 -0.6726 2.4124 2.4124 2.4163 2.4163 4.0861 4.0861 4.0910 4.0910 4.5245 4.5245 4.5273 4.5273 8.2688 8.2688 8.2690 8.2690 9.0270 9.0270 9.0283 9.0283 9.5848 9.5848 9.5850 9.5850 17.3369 17.3369 17.3370 17.3370 20.8255 20.8255 20.8279 20.8279 k = 0.0000 0.4994-0.0000 ( 1522 PWs) bands (ev): -7.3249 -7.3249 -7.3248 -7.3248 -0.6712 -0.6712 -0.6702 -0.6702 2.4135 2.4135 2.4173 2.4173 4.0980 4.0980 4.1030 4.1030 4.5070 4.5070 4.5099 4.5099 8.2744 8.2744 8.2746 8.2746 9.0299 9.0299 9.0312 9.0312 9.5801 9.5801 9.5801 9.5801 17.3327 17.3327 17.3328 17.3328 20.8254 20.8254 20.8277 20.8277 k = 0.0000 0.4994-0.0000 ( 1522 PWs) bands (ev): -7.3249 -7.3249 -7.3248 -7.3248 -0.6712 -0.6712 -0.6702 -0.6702 2.4135 2.4135 2.4173 2.4173 4.0980 4.0980 4.1030 4.1030 4.5070 4.5070 4.5099 4.5099 8.2744 8.2744 8.2746 8.2746 9.0299 9.0299 9.0312 9.0312 9.5801 9.5801 9.5801 9.5801 17.3327 17.3327 17.3328 17.3328 20.8254 20.8254 20.8277 20.8277 k = 0.0000 0.4883-0.0000 ( 1522 PWs) bands (ev): -7.4075 -7.4074 -7.2410 -7.2409 -0.6767 -0.6757 -0.6668 -0.6658 2.4094 2.4124 2.4132 2.4163 4.0872 4.0922 4.1141 4.1191 4.5085 4.5105 4.5115 4.5134 8.2136 8.2137 8.3170 8.3173 8.9435 8.9449 9.1176 9.1187 9.5774 9.5775 9.6024 9.6025 17.2830 17.2832 17.3824 17.3825 20.7870 20.7893 20.8470 20.8494 k = 0.0000 0.4772-0.0000 ( 1522 PWs) bands (ev): -7.4888 -7.4887 -7.1559 -7.1558 -0.6835 -0.6825 -0.6638 -0.6628 2.4004 2.4041 2.4063 2.4102 4.0816 4.0866 4.1356 4.1405 4.5153 4.5184 4.5191 4.5219 8.1362 8.1363 8.3411 8.3415 8.8584 8.8600 9.2066 9.2075 9.5928 9.5931 9.6446 9.6447 17.2334 17.2335 17.4321 17.4322 20.7325 20.7347 20.8515 20.8540 k = 0.0000 0.4661-0.0000 ( 1524 PWs) bands (ev): -7.5687 -7.5686 -7.0696 -7.0695 -0.6913 -0.6904 -0.6622 -0.6611 2.3865 2.3901 2.3953 2.3991 4.0810 4.0859 4.1622 4.1671 4.5274 4.5305 4.5323 4.5351 8.0448 8.0448 8.3484 8.3489 8.7748 8.7766 9.2967 9.2974 9.6239 9.6243 9.7049 9.7051 17.1838 17.1840 17.4817 17.4818 20.6629 20.6650 20.8389 20.8415 k = 0.0000 0.4550-0.0000 ( 1516 PWs) bands (ev): -7.6471 -7.6470 -6.9821 -6.9820 -0.7002 -0.6993 -0.6619 -0.6608 2.3681 2.3716 2.3797 2.3835 4.0851 4.0899 4.1939 4.1985 4.5449 4.5480 4.5502 4.5530 7.9421 7.9421 8.3414 8.3420 8.6927 8.6946 9.3879 9.3883 9.6679 9.6686 9.7808 9.7809 17.1344 17.1345 17.5313 17.5315 20.5793 20.5814 20.8098 20.8125 k = 0.0000 0.4439-0.0000 ( 1518 PWs) bands (ev): -7.7241 -7.7240 -6.8937 -6.8936 -0.7100 -0.7091 -0.6629 -0.6619 2.3456 2.3489 2.3599 2.3635 4.0935 4.0981 4.2301 4.2346 4.5674 4.5706 4.5724 4.5751 7.8307 7.8307 8.3233 8.3240 8.6122 8.6142 9.4801 9.4802 9.7225 9.7235 9.8689 9.8690 17.0850 17.0852 17.5807 17.5809 20.4832 20.4851 20.7649 20.7676 k = 0.0000 0.4328-0.0000 ( 1514 PWs) bands (ev): -7.7995 -7.7994 -6.8042 -6.8041 -0.7205 -0.7196 -0.6654 -0.6644 2.3194 2.3225 2.3363 2.3399 4.1058 4.1103 4.2705 4.2748 4.5951 4.5983 4.5987 4.6014 7.7127 7.7128 8.2970 8.2979 8.5333 8.5354 9.5730 9.5732 9.7857 9.7870 9.9663 9.9664 17.0358 17.0359 17.6300 17.6301 20.3758 20.3777 20.7052 20.7080 k = 0.0000 0.4217-0.0000 ( 1510 PWs) bands (ev): -7.8734 -7.8733 -6.7139 -6.7138 -0.7318 -0.7309 -0.6692 -0.6682 2.2900 2.2929 2.3094 2.3128 4.1216 4.1260 4.3146 4.3187 4.6277 4.6288 4.6306 4.6317 7.5899 7.5900 8.2649 8.2660 8.4561 8.4584 9.6666 9.6672 9.8559 9.8576 10.0706 10.0707 16.9868 16.9869 17.6791 17.6793 20.2587 20.2605 20.6319 20.6348 k = 0.0000 0.4107-0.0000 ( 1510 PWs) bands (ev): -7.9457 -7.9456 -6.6228 -6.6227 -0.7435 -0.7427 -0.6743 -0.6733 2.2577 2.2605 2.2797 2.2829 4.1405 4.1448 4.3619 4.3658 4.6622 4.6647 4.6650 4.6682 7.4638 7.4639 8.2290 8.2302 8.3808 8.3832 9.7609 9.7620 9.9318 9.9340 10.1796 10.1797 16.9379 16.9380 17.7279 17.7281 20.1329 20.1347 20.5465 20.5494 k = 0.0000 0.3996-0.0000 ( 1514 PWs) bands (ev): -8.0163 -8.0163 -6.5310 -6.5309 -0.7557 -0.7549 -0.6807 -0.6797 2.2231 2.2257 2.2475 2.2506 4.1622 4.1663 4.4119 4.4156 4.6990 4.7015 4.7063 4.7095 7.3354 7.3355 8.1905 8.1920 8.3074 8.3101 9.8559 9.8574 10.0126 10.0152 10.2919 10.2920 16.8892 16.8893 17.7764 17.7766 19.9999 20.0016 20.4501 20.4530 k = 0.0000 0.3885-0.0000 ( 1522 PWs) bands (ev): -8.0853 -8.0853 -6.4385 -6.4384 -0.7681 -0.7673 -0.6883 -0.6874 2.1865 2.1889 2.2134 2.2164 4.1865 4.1905 4.4640 4.4674 4.7386 4.7411 4.7517 4.7548 7.2058 7.2060 8.1502 8.1521 8.2364 8.2395 9.9515 9.9535 10.0973 10.1004 10.4063 10.4064 16.8405 16.8406 17.8246 17.8247 19.8607 19.8624 20.3440 20.3470 k = 0.0000 0.3774-0.0000 ( 1522 PWs) bands (ev): -8.1527 -8.1526 -6.3456 -6.3455 -0.7806 -0.7799 -0.6971 -0.6961 2.1483 2.1505 2.1778 2.1806 4.2130 4.2168 4.5175 4.5206 4.7808 4.7833 4.8006 4.8037 7.0761 7.0763 8.1079 8.1102 8.1691 8.1726 10.0478 10.0502 10.1855 10.1890 10.5219 10.5219 16.7922 16.7923 17.8723 17.8724 19.7166 19.7182 20.2296 20.2327 k = 0.0000 0.3663-0.0000 ( 1530 PWs) bands (ev): -8.2183 -8.2183 -6.2522 -6.2521 -0.7931 -0.7924 -0.7070 -0.7060 2.1088 2.1109 2.1411 2.1437 4.2415 4.2452 4.5716 4.5744 4.8253 4.8278 4.8527 4.8557 6.9472 6.9475 8.0616 8.0642 8.1083 8.1121 10.1446 10.1475 10.2765 10.2804 10.6379 10.6379 16.7441 16.7442 17.9196 17.9197 19.5683 19.5699 20.1080 20.1111 k = 0.0000 0.3552-0.0000 ( 1534 PWs) bands (ev): -8.2822 -8.2822 -6.1586 -6.1584 -0.8054 -0.8047 -0.7178 -0.7169 2.0684 2.0703 2.1035 2.1060 4.2717 4.2753 4.6255 4.6281 4.8717 4.8743 4.9075 4.9105 6.8202 6.8206 8.0081 8.0099 8.0587 8.0616 10.2420 10.2453 10.3699 10.3742 10.7538 10.7538 16.6962 16.6962 17.9663 17.9664 19.4167 19.4183 19.9804 19.9835 k = 0.0000 0.3441-0.0000 ( 1534 PWs) bands (ev): -8.3444 -8.3443 -6.0648 -6.0646 -0.8172 -0.8166 -0.7296 -0.7287 2.0272 2.0290 2.0654 2.0678 4.3034 4.3068 4.6781 4.6803 4.9198 4.9224 4.9647 4.9677 6.6964 6.6969 7.9491 7.9498 8.0182 8.0201 10.3401 10.3437 10.4653 10.4700 10.8692 10.8692 16.6484 16.6485 18.0124 18.0125 19.2628 19.2644 19.8480 19.8511 k = 0.0000 0.3330-0.0000 ( 1530 PWs) bands (ev): -8.4047 -8.4046 -5.9709 -5.9708 -0.8286 -0.8280 -0.7421 -0.7412 1.9856 1.9872 2.0271 2.0293 4.3364 4.3397 4.7279 4.7297 4.9694 4.9721 5.0241 5.0270 6.5772 6.5777 7.8885 7.8885 7.9826 7.9838 10.4387 10.4427 10.5622 10.5673 10.9837 10.9837 16.6009 16.6010 18.0578 18.0579 19.1073 19.1088 19.7117 19.7148 k = 0.0000 0.3219-0.0000 ( 1530 PWs) bands (ev): -8.4632 -8.4632 -5.8772 -5.8771 -0.8393 -0.8387 -0.7554 -0.7545 1.9437 1.9452 1.9887 1.9908 4.3704 4.3736 4.7729 4.7743 5.0205 5.0233 5.0851 5.0879 6.4644 6.4650 7.8280 7.8283 7.9503 7.9511 10.5377 10.5420 10.6605 10.6658 11.0970 11.0970 16.5536 16.5536 18.1023 18.1024 18.9509 18.9524 19.5726 19.5757 k = 0.0000 0.3108-0.0000 ( 1530 PWs) bands (ev): -8.5199 -8.5199 -5.7838 -5.7837 -0.8491 -0.8485 -0.7693 -0.7685 1.9017 1.9030 1.9505 1.9525 4.4051 4.4082 4.8106 4.8115 5.0730 5.0759 5.1475 5.1503 6.3602 6.3610 7.7689 7.7694 7.9208 7.9214 10.6372 10.6418 10.7596 10.7653 11.2087 11.2087 16.5064 16.5064 18.1456 18.1457 18.7945 18.7960 19.4315 19.4346 k = 0.0000 0.2997-0.0000 ( 1524 PWs) bands (ev): -8.5748 -8.5747 -5.6909 -5.6907 -0.8580 -0.8574 -0.7837 -0.7829 1.8597 1.8610 1.9128 1.9147 4.4405 4.4434 4.8379 4.8384 5.1272 5.1302 5.2111 5.2138 6.2673 6.2682 7.7114 7.7120 7.8942 7.8946 10.7370 10.7418 10.8595 10.8654 11.3188 11.3188 16.4594 16.4594 18.1871 18.1872 18.6393 18.6407 19.2895 19.2925 k = 0.0000 0.2886-0.0000 ( 1524 PWs) bands (ev): -8.6278 -8.6277 -5.5986 -5.5984 -0.8656 -0.8651 -0.7985 -0.7977 1.8179 1.8190 1.8755 1.8773 4.4760 4.4789 4.8515 4.8516 5.1831 5.1862 5.2754 5.2781 6.1887 6.1898 7.6556 7.6564 7.8704 7.8707 10.8370 10.8421 10.9597 10.9658 11.4268 11.4268 16.4126 16.4126 18.2242 18.2243 18.4881 18.4895 19.1472 19.1503 k = 0.0000 0.2775-0.0000 ( 1520 PWs) bands (ev): -8.6789 -8.6788 -5.5071 -5.5069 -0.8720 -0.8715 -0.8136 -0.8129 1.7764 1.7774 1.8389 1.8406 4.5117 4.5144 4.8480 4.8482 5.2409 5.2440 5.3403 5.3429 6.1273 6.1285 7.6016 7.6025 7.8495 7.8498 10.9370 10.9423 11.0600 11.0664 11.5328 11.5328 16.3658 16.3659 18.2378 18.2382 18.3607 18.3617 19.0056 19.0086 k = 0.0000 0.2664-0.0000 ( 1524 PWs) bands (ev): -8.7281 -8.7281 -5.4166 -5.4164 -0.8770 -0.8765 -0.8290 -0.8283 1.7352 1.7361 1.8031 1.8047 4.5471 4.5497 4.8256 4.8262 5.3003 5.3034 5.4054 5.4079 6.0850 6.0864 7.5495 7.5504 7.8315 7.8317 11.0370 11.0425 11.1602 11.1668 11.6363 11.6364 16.3191 16.3192 18.1448 18.1459 18.3404 18.3406 18.8653 18.8683 k = 0.0000 0.2553-0.0000 ( 1520 PWs) bands (ev): -8.7754 -8.7754 -5.3273 -5.3271 -0.8803 -0.8798 -0.8444 -0.8437 1.6945 1.6953 1.7682 1.7696 4.5820 4.5846 4.7843 4.7850 5.3608 5.3639 5.4706 5.4731 6.0623 6.0638 7.4993 7.5003 7.8165 7.8166 11.1367 11.1425 11.2601 11.2669 11.7374 11.7374 16.2726 16.2727 18.0022 18.0034 18.3707 18.3709 18.7271 18.7300 k = 0.0000 0.2442-0.0000 ( 1522 PWs) bands (ev): -8.8208 -8.8208 -5.2395 -5.2393 -0.8819 -0.8815 -0.8599 -0.8593 1.6542 1.6549 1.7342 1.7356 4.6163 4.6188 4.7255 4.7264 5.4222 5.4251 5.5356 5.5380 6.0578 6.0593 7.4510 7.4520 7.8044 7.8045 11.2360 11.2419 11.3593 11.3663 11.8358 11.8358 16.2262 16.2263 17.8553 17.8565 18.4066 18.4067 18.5914 18.5943 k = 0.0000 0.2331-0.0000 ( 1510 PWs) bands (ev): -8.8642 -8.8642 -5.1534 -5.1532 -0.8817 -0.8813 -0.8753 -0.8747 1.6145 1.6151 1.7014 1.7027 4.6482 4.6500 4.6544 4.6548 5.4839 5.4867 5.6002 5.6025 6.0690 6.0705 7.4046 7.4056 7.7952 7.7953 11.3347 11.3408 11.4577 11.4649 11.9313 11.9313 16.1798 16.1799 17.7097 17.7108 18.4425 18.4431 18.4594 18.4618 k = 0.0000 0.2220-0.0000 ( 1510 PWs) bands (ev): -8.9057 -8.9057 -5.0691 -5.0690 -0.8906 -0.8900 -0.8795 -0.8792 1.5753 1.5759 1.6697 1.6709 4.5676 4.5685 4.6823 4.6845 5.5454 5.5482 5.6641 5.6663 6.0924 6.0939 7.3601 7.3612 7.7889 7.7889 11.4324 11.4388 11.5548 11.5622 12.0238 12.0238 16.1335 16.1336 17.5666 17.5677 18.3302 18.3330 18.4789 18.4789 k = 0.0000 0.2109-0.0000 ( 1510 PWs) bands (ev): -8.9453 -8.9452 -4.9871 -4.9869 -0.9057 -0.9051 -0.8753 -0.8750 1.5368 1.5372 1.6393 1.6404 4.4752 4.4762 4.7134 4.7155 5.6064 5.6091 5.7272 5.7293 6.1252 6.1266 7.3176 7.3187 7.7853 7.7853 11.5291 11.5357 11.6505 11.6581 12.1131 12.1131 16.0874 16.0875 17.4268 17.4279 18.2058 18.2085 18.5138 18.5138 k = 0.0000 0.1998-0.0000 ( 1514 PWs) bands (ev): -8.9829 -8.9828 -4.9074 -4.9073 -0.9204 -0.9199 -0.8691 -0.8688 1.4988 1.4992 1.6101 1.6111 4.3777 4.3787 4.7431 4.7451 5.6665 5.6690 5.7891 5.7912 6.1647 6.1661 7.2770 7.2781 7.7842 7.7842 11.6244 11.6311 11.7444 11.7522 12.1991 12.1991 16.0413 16.0415 17.2909 17.2919 18.0860 18.0887 18.5475 18.5475 k = 0.0000 0.1887-0.0000 ( 1510 PWs) bands (ev): -9.0184 -9.0184 -4.8304 -4.8303 -0.9347 -0.9342 -0.8607 -0.8604 1.4615 1.4618 1.5823 1.5832 4.2775 4.2784 4.7713 4.7732 5.7254 5.7278 5.8498 5.8519 6.2089 6.2102 7.2383 7.2394 7.7856 7.7856 11.7180 11.7250 11.8362 11.8442 12.2816 12.2816 15.9955 15.9957 17.1593 17.1603 17.9714 17.9740 18.5799 18.5799 k = 0.0000 0.1776-0.0000 ( 1504 PWs) bands (ev): -9.0521 -9.0520 -4.7563 -4.7562 -0.9486 -0.9481 -0.8502 -0.8499 1.4249 1.4251 1.5558 1.5567 4.1761 4.1770 4.7979 4.7997 5.7829 5.7851 5.9090 5.9110 6.2560 6.2572 7.2016 7.2027 7.7892 7.7893 11.8097 11.8169 11.9256 11.9338 12.3605 12.3605 15.9500 15.9502 17.0324 17.0333 17.8622 17.8648 18.6109 18.6110 k = 0.0000 0.1665-0.0000 ( 1502 PWs) bands (ev): -9.0837 -9.0836 -4.6854 -4.6852 -0.9620 -0.9615 -0.8376 -0.8373 1.3889 1.3891 1.5308 1.5316 4.0753 4.0761 4.8227 4.8244 5.8384 5.8405 5.9665 5.9684 6.3048 6.3059 7.1668 7.1678 7.7948 7.7949 11.8992 11.9066 12.0122 12.0206 12.4355 12.4355 15.9049 15.9051 16.9106 16.9115 17.7589 17.7614 18.6266 18.6275 k = 0.0000 0.1554-0.0000 ( 1500 PWs) bands (ev): -9.1133 -9.1132 -4.6179 -4.6177 -0.9748 -0.9743 -0.8229 -0.8227 1.3537 1.3538 1.5072 1.5079 3.9761 3.9770 4.8458 4.8473 5.8919 5.8939 6.0221 6.0239 6.3541 6.3551 7.1339 7.1349 7.8021 7.8022 11.9860 11.9936 12.0957 12.1043 12.5066 12.5066 15.8604 15.8606 16.7944 16.7953 17.6618 17.6641 18.5394 18.5402 k = 0.0000 0.1443-0.0000 ( 1508 PWs) bands (ev): -9.1409 -9.1408 -4.5540 -4.5538 -0.9869 -0.9865 -0.8065 -0.8063 1.3192 1.3193 1.4851 1.4858 3.8796 3.8804 4.8670 4.8685 5.9429 5.9448 6.0754 6.0772 6.4030 6.4040 7.1029 7.1039 7.8108 7.8109 12.0698 12.0776 12.1756 12.1844 12.5736 12.5736 15.8167 15.8169 16.6840 16.6849 17.5709 17.5732 18.4571 18.4579 k = 0.0000 0.1332-0.0000 ( 1512 PWs) bands (ev): -9.1664 -9.1664 -4.4940 -4.4938 -0.9983 -0.9980 -0.7884 -0.7882 1.2856 1.2856 1.4646 1.4652 3.7868 3.7876 4.8864 4.8878 5.9913 5.9930 6.1264 6.1281 6.4509 6.4518 7.0738 7.0748 7.8206 7.8207 12.1503 12.1583 12.2515 12.2605 12.6363 12.6363 15.7741 15.7743 16.5799 16.5807 17.4867 17.4888 18.3802 18.3810 k = 0.0000 0.1221-0.0000 ( 1514 PWs) bands (ev): -9.1900 -9.1900 -4.4381 -4.4379 -1.0091 -1.0087 -0.7689 -0.7687 1.2529 1.2530 1.4456 1.4462 3.6985 3.6992 4.9040 4.9053 6.0368 6.0384 6.1749 6.1765 6.4972 6.4980 7.0466 7.0476 7.8312 7.8314 12.2270 12.2352 12.3231 12.3323 12.6947 12.6947 15.7328 15.7330 16.4825 16.4832 17.4091 17.4111 18.3088 18.3096 k = 0.0000 0.1110-0.0000 ( 1513 PWs) bands (ev): -9.2115 -9.2115 -4.3864 -4.3863 -1.0190 -1.0187 -0.7482 -0.7481 1.2214 1.2214 1.4282 1.4287 3.6153 3.6159 4.9199 4.9210 6.0792 6.0807 6.2205 6.2221 6.5412 6.5420 7.0213 7.0223 7.8424 7.8425 12.2995 12.3080 12.3900 12.3993 12.7486 12.7486 15.6933 15.6935 16.3921 16.3928 17.3384 17.3403 18.2430 18.2438 k = 0.0000 0.0999-0.0000 ( 1525 PWs) bands (ev): -9.2310 -9.2310 -4.3392 -4.3391 -1.0281 -1.0278 -0.7270 -0.7268 1.1912 1.1912 1.4123 1.4128 3.5379 3.5385 4.9340 4.9350 6.1183 6.1196 6.2631 6.2645 6.5825 6.5832 6.9979 6.9989 7.8537 7.8538 12.3674 12.3760 12.4515 12.4609 12.7978 12.7978 15.6558 15.6560 16.3092 16.3098 17.2744 17.2762 18.1830 18.1838 k = 0.0000 0.0888-0.0000 ( 1525 PWs) bands (ev): -9.2485 -9.2484 -4.2966 -4.2965 -1.0363 -1.0361 -0.7055 -0.7054 1.1625 1.1626 1.3982 1.3986 3.4669 3.4675 4.9465 4.9473 6.1538 6.1550 6.3024 6.3038 6.6207 6.6213 6.9764 6.9774 7.8648 7.8649 12.4303 12.4391 12.5075 12.5170 12.8422 12.8422 15.6208 15.6210 16.2339 16.2344 17.2174 17.2190 18.1291 18.1298 k = 0.0000 0.0777-0.0000 ( 1527 PWs) bands (ev): -9.2639 -9.2638 -4.2587 -4.2586 -1.0436 -1.0434 -0.6844 -0.6843 1.1358 1.1359 1.3856 1.3860 3.4030 3.4035 4.9573 4.9580 6.1857 6.1868 6.3382 6.3394 6.6553 6.6558 6.9570 6.9579 7.8754 7.8755 12.4877 12.4966 12.5575 12.5670 12.8817 12.8818 15.5887 15.5888 16.1666 16.1671 17.1673 17.1687 18.0812 18.0819 k = 0.0000 0.0666-0.0000 ( 1527 PWs) bands (ev): -9.2772 -9.2772 -4.2257 -4.2256 -1.0500 -1.0499 -0.6642 -0.6641 1.1113 1.1114 1.3747 1.3750 3.3465 3.3470 4.9665 4.9672 6.2137 6.2146 6.3702 6.3713 6.6860 6.6865 6.9396 6.9404 7.8853 7.8854 12.5392 12.5482 12.6010 12.6106 12.9162 12.9162 15.5599 15.5600 16.1077 16.1081 17.1240 17.1253 18.0395 18.0402 k = 0.0000 0.0555-0.0000 ( 1529 PWs) bands (ev): -9.2885 -9.2885 -4.1976 -4.1975 -1.0555 -1.0553 -0.6457 -0.6456 1.0896 1.0896 1.3655 1.3657 3.2980 3.2984 4.9742 4.9748 6.2377 6.2384 6.3981 6.3991 6.7125 6.7129 6.9244 6.9251 7.8942 7.8942 12.5843 12.5933 12.6379 12.6474 12.9456 12.9456 15.5347 15.5348 16.0574 16.0577 17.0876 17.0886 18.0041 18.0047 k = 0.0000 0.0444-0.0000 ( 1531 PWs) bands (ev): -9.2978 -9.2978 -4.1745 -4.1744 -1.0600 -1.0599 -0.6293 -0.6293 1.0709 1.0710 1.3579 1.3581 3.2578 3.2581 4.9804 4.9809 6.2575 6.2581 6.4216 6.4224 6.7346 6.7349 6.9115 6.9121 7.9017 7.9018 12.6228 12.6316 12.6678 12.6770 12.9697 12.9697 15.5136 15.5137 16.0158 16.0161 17.0578 17.0587 17.9751 17.9755 k = 0.0000 0.0333-0.0000 ( 1527 PWs) bands (ev): -9.3050 -9.3049 -4.1565 -4.1565 -1.0635 -1.0634 -0.6158 -0.6158 1.0558 1.0559 1.3520 1.3522 3.2262 3.2264 4.9853 4.9856 6.2730 6.2735 6.4404 6.4411 6.7520 6.7522 6.9012 6.9017 7.9079 7.9079 12.6542 12.6625 12.6908 12.6994 12.9887 12.9887 15.4968 15.4969 15.9833 15.9835 17.0348 17.0354 17.9525 17.9528 k = 0.0000 0.0222-0.0000 ( 1531 PWs) bands (ev): -9.3101 -9.3101 -4.1436 -4.1436 -1.0660 -1.0659 -0.6058 -0.6057 1.0447 1.0448 1.3478 1.3479 3.2035 3.2036 4.9887 4.9889 6.2842 6.2845 6.4541 6.4546 6.7646 6.7647 6.8936 6.8939 7.9123 7.9124 12.6778 12.6850 12.7069 12.7143 13.0021 13.0021 15.4846 15.4847 15.9600 15.9601 17.0184 17.0188 17.9363 17.9365 k = 0.0000 0.0111-0.0000 ( 1527 PWs) bands (ev): -9.3132 -9.3132 -4.1359 -4.1358 -1.0675 -1.0675 -0.5995 -0.5995 1.0379 1.0380 1.3453 1.3453 3.1898 3.1898 4.9908 4.9909 6.2909 6.2911 6.4626 6.4629 6.7722 6.7722 6.8890 6.8892 7.9151 7.9151 12.6936 12.6981 12.7173 12.7219 13.0104 13.0104 15.4772 15.4773 15.9460 15.9460 17.0086 17.0088 17.9266 17.9267 k = 0.0000 0.0000 0.0000 ( 1527 PWs) bands (ev): -9.3142 -9.3142 -4.1333 -4.1333 -1.0680 -1.0680 -0.5974 -0.5974 1.0356 1.0356 1.3445 1.3445 3.1852 3.1852 4.9915 4.9915 6.2932 6.2932 6.4655 6.4655 6.7747 6.7747 6.8875 6.8875 7.9160 7.9160 12.7007 12.7007 12.7225 12.7225 13.0131 13.0131 15.4748 15.4748 15.9413 15.9413 17.0054 17.0054 17.9234 17.9234 k = 0.0000 0.0000 0.0000 ( 1527 PWs) bands (ev): -9.3142 -9.3142 -4.1333 -4.1333 -1.0680 -1.0680 -0.5974 -0.5974 1.0356 1.0356 1.3445 1.3445 3.1852 3.1852 4.9915 4.9915 6.2932 6.2932 6.4655 6.4655 6.7747 6.7747 6.8875 6.8875 7.9160 7.9160 12.7007 12.7007 12.7225 12.7225 13.0131 13.0131 15.4748 15.4748 15.9413 15.9413 17.0054 17.0054 17.9234 17.9234 k = 0.0000 0.0000 0.0112 ( 1527 PWs) bands (ev): -9.3132 -9.3132 -4.1356 -4.1356 -1.0676 -1.0675 -0.5967 -0.5967 0.9991 0.9993 1.3847 1.3849 3.1861 3.1861 4.9901 4.9902 6.2907 6.2908 6.4648 6.4648 6.7757 6.7757 6.8850 6.8851 7.9148 7.9148 12.6977 12.6977 12.7187 12.7187 13.0090 13.0090 15.4774 15.4774 15.9460 15.9460 17.0096 17.0096 17.9258 17.9258 k = 0.0000 0.0000 0.0224 ( 1527 PWs) bands (ev): -9.3103 -9.3103 -4.1425 -4.1425 -1.0662 -1.0662 -0.5947 -0.5947 0.9200 0.9203 1.4754 1.4756 3.1888 3.1888 4.9860 4.9861 6.2834 6.2836 6.4625 6.4626 6.7786 6.7787 6.8775 6.8777 7.9112 7.9113 12.6887 12.6887 12.7073 12.7073 12.9967 12.9968 15.4853 15.4853 15.9600 15.9601 17.0220 17.0221 17.9331 17.9331 k = 0.0000 0.0000 0.0336 ( 1519 PWs) bands (ev): -9.3055 -9.3055 -4.1541 -4.1540 -1.0640 -1.0639 -0.5913 -0.5913 0.8288 0.8291 1.5859 1.5862 3.1932 3.1932 4.9791 4.9793 6.2713 6.2715 6.4588 6.4590 6.7835 6.7836 6.8652 6.8654 7.9053 7.9054 12.6736 12.6736 12.6887 12.6888 12.9765 12.9766 15.4983 15.4984 15.9834 15.9835 17.0428 17.0428 17.9453 17.9453 k = 0.0000 0.0000 0.0448 ( 1523 PWs) bands (ev): -9.2987 -9.2987 -4.1702 -4.1701 -1.0608 -1.0608 -0.5866 -0.5866 0.7358 0.7361 1.7060 1.7063 3.1995 3.1995 4.9695 4.9697 6.2544 6.2547 6.4537 6.4540 6.7903 6.7904 6.8481 6.8484 7.8971 7.8972 12.6518 12.6518 12.6632 12.6633 12.9484 12.9485 15.5163 15.5164 16.0159 16.0160 17.0718 17.0718 17.9624 17.9625 k = 0.0000 0.0000 0.0560 ( 1523 PWs) bands (ev): -9.2901 -9.2901 -4.1909 -4.1908 -1.0569 -1.0568 -0.5805 -0.5805 0.6445 0.6448 1.8320 1.8323 3.2075 3.2075 4.9571 4.9574 6.2330 6.2334 6.4472 6.4475 6.7990 6.7991 6.8264 6.8269 7.8868 7.8870 12.6224 12.6224 12.6326 12.6327 12.9128 12.9129 15.5390 15.5391 16.0573 16.0575 17.1088 17.1088 17.9847 17.9848 k = 0.0000 0.0000 0.0673 ( 1519 PWs) bands (ev): -9.2795 -9.2795 -4.2160 -4.2160 -1.0520 -1.0520 -0.5731 -0.5731 0.5564 0.5567 1.9622 1.9626 3.2172 3.2173 4.9420 4.9422 6.2073 6.2077 6.4394 6.4397 6.8004 6.8010 6.8096 6.8098 7.8747 7.8748 12.5841 12.5841 12.5985 12.5986 12.8701 12.8701 15.5661 15.5662 16.1076 16.1078 17.1538 17.1538 18.0122 18.0124 k = 0.0000 0.0000 0.0785 ( 1519 PWs) bands (ev): -9.2670 -9.2670 -4.2457 -4.2456 -1.0463 -1.0463 -0.5644 -0.5644 0.4723 0.4726 2.0959 2.0962 3.2288 3.2288 4.9240 4.9243 6.1774 6.1779 6.4303 6.4306 6.7704 6.7710 6.8221 6.8224 7.8608 7.8610 12.5380 12.5382 12.5600 12.5601 12.8206 12.8207 15.5974 15.5975 16.1662 16.1665 17.2066 17.2066 18.0452 18.0454 k = 0.0000 0.0000 0.0897 ( 1523 PWs) bands (ev): -9.2526 -9.2526 -4.2797 -4.2796 -1.0399 -1.0398 -0.5544 -0.5544 0.3925 0.3928 2.2323 2.2326 3.2421 3.2421 4.9032 4.9035 6.1435 6.1441 6.4198 6.4202 6.7366 6.7373 6.8365 6.8368 7.8454 7.8457 12.4856 12.4858 12.5165 12.5165 12.7649 12.7650 15.6322 15.6323 16.2331 16.2334 17.2670 17.2670 18.0838 18.0840 k = 0.0000 0.0000 0.1009 ( 1523 PWs) bands (ev): -9.2363 -9.2363 -4.3180 -4.3179 -1.0326 -1.0325 -0.5432 -0.5432 0.3175 0.3177 2.3711 2.3714 3.2571 3.2572 4.8796 4.8800 6.1060 6.1066 6.4081 6.4085 6.6994 6.7001 6.8527 6.8531 7.8289 7.8292 12.4274 12.4277 12.4677 12.4677 12.7034 12.7035 15.6703 15.6704 16.3078 16.3081 17.3349 17.3349 18.1281 18.1283 k = 0.0000 0.0000 0.1121 ( 1523 PWs) bands (ev): -9.2182 -9.2182 -4.3605 -4.3604 -1.0246 -1.0245 -0.5307 -0.5307 0.2472 0.2475 2.5119 2.5122 3.2739 3.2740 4.8533 4.8536 6.0651 6.0658 6.3950 6.3954 6.6591 6.6600 6.8708 6.8712 7.8116 7.8119 12.3641 12.3644 12.4137 12.4137 12.6367 12.6367 15.7112 15.7113 16.3899 16.3903 17.4099 17.4099 18.1783 18.1785 k = 0.0000 0.0000 0.1233 ( 1527 PWs) bands (ev): -9.1982 -9.1982 -4.4070 -4.4069 -1.0159 -1.0158 -0.5171 -0.5170 0.1818 0.1821 2.6542 2.6546 3.2925 3.2925 4.8242 4.8246 6.0211 6.0219 6.3806 6.3810 6.6163 6.6172 6.8907 6.8912 7.7937 7.7940 12.2961 12.2965 12.3545 12.3546 12.5650 12.5650 15.7544 15.7545 16.4791 16.4795 17.4919 17.4920 18.2344 18.2347 k = 0.0000 0.0000 0.1345 ( 1513 PWs) bands (ev): -9.1764 -9.1763 -4.4574 -4.4573 -1.0065 -1.0064 -0.5022 -0.5022 0.1214 0.1217 2.7978 2.7982 3.3128 3.3128 4.7925 4.7929 5.9745 5.9753 6.3647 6.3651 6.5713 6.5723 6.9124 6.9129 7.7758 7.7761 12.2239 12.2244 12.2905 12.2905 12.4891 12.4892 15.7994 15.7995 16.5750 16.5754 17.5808 17.5809 18.2962 18.2965 k = 0.0000 0.0000 0.1457 ( 1503 PWs) bands (ev): -9.1527 -9.1527 -4.5115 -4.5115 -0.9965 -0.9964 -0.4862 -0.4862 0.0658 0.0661 2.9422 2.9425 3.3348 3.3349 4.7582 4.7586 5.9255 5.9263 6.3473 6.3477 6.5247 6.5257 6.9358 6.9364 7.7581 7.7585 12.1481 12.1486 12.2216 12.2216 12.4094 12.4095 15.8458 15.8459 16.6771 16.6775 17.6760 17.6761 18.3633 18.3637 k = 0.0000 0.0000 0.1569 ( 1511 PWs) bands (ev): -9.1273 -9.1273 -4.5692 -4.5691 -0.9859 -0.9858 -0.4692 -0.4692 0.0151 0.0153 3.0868 3.0872 3.3585 3.3585 4.7213 4.7217 5.8742 5.8751 6.3282 6.3285 6.4770 6.4780 6.9609 6.9616 7.7412 7.7416 12.0690 12.0696 12.1479 12.1479 12.3263 12.3265 15.8930 15.8932 16.7847 16.7851 17.7773 17.7775 18.4347 18.4351 k = 0.0000 0.0000 0.1681 ( 1511 PWs) bands (ev): -9.1001 -9.1000 -4.6302 -4.6301 -0.9748 -0.9747 -0.4512 -0.4511 -0.0309 -0.0307 3.2315 3.2319 3.3839 3.3839 4.6822 4.6826 5.8214 5.8223 6.3071 6.3075 6.4288 6.4299 6.9878 6.9885 7.7253 7.7257 11.9871 11.9878 12.0698 12.0698 12.2404 12.2406 15.9408 15.9410 16.8974 16.8978 17.8846 17.8848 18.5080 18.5084 k = 0.0000 0.0000 0.1794 ( 1515 PWs) bands (ev): -9.0711 -9.0711 -4.6943 -4.6942 -0.9632 -0.9631 -0.4321 -0.4321 -0.0724 -0.0721 3.3754 3.3758 3.4109 3.4111 4.6409 4.6413 5.7672 5.7682 6.2840 6.2843 6.3809 6.3821 7.0162 7.0170 7.7110 7.7114 11.9028 11.9035 11.9872 11.9872 12.1517 12.1520 15.9887 15.9889 17.0146 17.0150 17.9974 17.9976 18.5782 18.5785 k = 0.0000 0.0000 0.1906 ( 1515 PWs) bands (ev): -9.0405 -9.0405 -4.7612 -4.7611 -0.9511 -0.9510 -0.4122 -0.4122 -0.1093 -0.1091 3.4396 3.4397 3.5182 3.5186 4.5976 4.5980 5.7120 5.7131 6.2587 6.2590 6.3339 6.3352 7.0463 7.0472 7.6986 7.6991 11.8165 11.8173 11.9004 11.9004 12.0612 12.0615 16.0365 16.0366 17.1354 17.1359 18.1156 18.1158 18.6358 18.6361 k = 0.0000 0.0000 0.2018 ( 1515 PWs) bands (ev): -9.0081 -9.0081 -4.8307 -4.8306 -0.9387 -0.9386 -0.3914 -0.3914 -0.1420 -0.1418 3.4700 3.4701 3.6589 3.6593 4.5526 4.5529 5.6562 5.6573 6.2309 6.2312 6.2889 6.2902 7.0779 7.0788 7.6885 7.6890 11.7286 11.7295 11.8095 11.8095 11.9689 11.9694 16.0838 16.0839 17.2592 17.2597 18.2387 18.2390 18.6728 18.6729 k = 0.0000 0.0000 0.2130 ( 1514 PWs) bands (ev): -8.9742 -8.9742 -4.9026 -4.9025 -0.9259 -0.9258 -0.3699 -0.3698 -0.1707 -0.1704 3.5020 3.5021 3.7965 3.7969 4.5059 4.5062 5.6002 5.6013 6.2006 6.2009 6.2469 6.2482 7.1110 7.1120 7.6809 7.6815 11.6394 11.6403 11.7146 11.7146 11.8752 11.8757 16.1304 16.1306 17.3848 17.3853 18.3666 18.3669 18.6922 18.6922 k = 0.0000 0.0000 0.2242 ( 1514 PWs) bands (ev): -8.9387 -8.9387 -4.9765 -4.9764 -0.9129 -0.9128 -0.3476 -0.3476 -0.1954 -0.1952 3.5355 3.5357 3.9300 3.9304 4.4580 4.4582 5.5443 5.5454 6.1677 6.1679 6.2090 6.2104 7.1455 7.1466 7.6763 7.6769 11.5493 11.5503 11.6160 11.6160 11.7807 11.7812 16.1762 16.1763 17.5106 17.5111 18.4987 18.4991 18.7029 18.7030 k = 0.0000 0.0000 0.2354 ( 1514 PWs) bands (ev): -8.9017 -8.9016 -5.0522 -5.0521 -0.8996 -0.8995 -0.3247 -0.3247 -0.2166 -0.2163 3.5707 3.5708 4.0579 4.0583 4.4089 4.4091 5.4888 5.4900 6.1320 6.1321 6.1769 6.1783 7.1814 7.1825 7.6748 7.6754 11.4587 11.4597 11.5138 11.5138 11.6854 11.6861 16.2210 16.2211 17.6349 17.6354 18.6349 18.6353 18.7118 18.7119 k = 0.0000 0.0000 0.2466 ( 1518 PWs) bands (ev): -8.8632 -8.8631 -5.1294 -5.1293 -0.8862 -0.8861 -0.3014 -0.3013 -0.2343 -0.2341 3.6074 3.6076 4.1785 4.1789 4.3590 4.3592 5.4343 5.4354 6.0935 6.0936 6.1524 6.1538 7.2185 7.2197 7.6765 7.6772 11.3676 11.3688 11.4081 11.4082 11.5899 11.5906 16.2648 16.2649 17.7550 17.7554 18.7238 18.7241 18.7748 18.7752 k = 0.0000 0.0000 0.2578 ( 1522 PWs) bands (ev): -8.8233 -8.8233 -5.2078 -5.2077 -0.8726 -0.8726 -0.2776 -0.2775 -0.2490 -0.2487 3.6456 3.6458 4.2897 4.2900 4.3087 4.3088 5.3809 5.3820 6.0522 6.0523 6.1376 6.1390 7.2569 7.2581 7.6814 7.6821 11.2766 11.2778 11.2993 11.2994 11.4942 11.4950 16.3074 16.3075 17.8673 17.8676 18.7437 18.7440 18.9179 18.9184 k = 0.0000 0.0000 0.2690 ( 1524 PWs) bands (ev): -8.7821 -8.7820 -5.2872 -5.2871 -0.8591 -0.8590 -0.2607 -0.2605 -0.2534 -0.2534 3.6853 3.6856 4.2578 4.2579 4.3893 4.3898 5.3292 5.3303 6.0082 6.0083 6.1349 6.1362 7.2963 7.2976 7.6896 7.6904 11.1828 11.1834 11.1905 11.1912 11.3989 11.3997 16.3488 16.3489 17.9671 17.9674 18.7763 18.7767 19.0641 19.0647 k = 0.0000 0.0000 0.2802 ( 1524 PWs) bands (ev): -8.7396 -8.7396 -5.3671 -5.3670 -0.8455 -0.8455 -0.2699 -0.2696 -0.2290 -0.2290 3.7265 3.7268 4.2072 4.2072 4.4750 4.4754 5.2794 5.2804 5.9617 5.9617 6.1467 6.1479 7.3367 7.3381 7.7010 7.7018 11.0705 11.0705 11.0978 11.0992 11.3040 11.3050 16.3889 16.3890 18.0498 18.0500 18.8266 18.8271 19.2129 19.2135 k = 0.0000 0.0000 0.2914 ( 1528 PWs) bands (ev): -8.6961 -8.6961 -5.4474 -5.4473 -0.8320 -0.8320 -0.2767 -0.2764 -0.2046 -0.2046 3.7690 3.7694 4.1568 4.1569 4.5448 4.5452 5.2317 5.2327 5.9127 5.9128 6.1749 6.1761 7.3779 7.3794 7.7155 7.7164 10.9524 10.9524 11.0090 11.0105 11.2100 11.2111 16.4279 16.4280 18.1117 18.1119 18.8979 18.8985 19.3639 19.3646 k = 0.0000 0.0000 0.3027 ( 1524 PWs) bands (ev): -8.6516 -8.6516 -5.5276 -5.5275 -0.8187 -0.8186 -0.2814 -0.2811 -0.1802 -0.1801 3.8128 3.8133 4.1069 4.1072 4.5977 4.5980 5.1864 5.1873 5.8615 5.8615 6.2211 6.2222 7.4199 7.4214 7.7329 7.7338 10.8314 10.8314 10.9217 10.9233 11.1172 11.1183 16.4656 16.4656 18.1531 18.1531 18.9901 18.9908 19.5168 19.5175 k = 0.0000 0.0000 0.3139 ( 1522 PWs) bands (ev): -8.6063 -8.6062 -5.6076 -5.6075 -0.8055 -0.8055 -0.2842 -0.2840 -0.1559 -0.1559 3.8576 3.8584 4.0582 4.0587 4.6338 4.6341 5.1435 5.1443 5.8082 5.8082 6.2852 6.2862 7.4624 7.4639 7.7528 7.7538 10.7077 10.7077 10.8361 10.8378 11.0257 11.0269 16.5019 16.5019 18.1767 18.1767 19.0998 19.1006 19.6710 19.6719 k = 0.0000 0.0000 0.3251 ( 1522 PWs) bands (ev): -8.5602 -8.5602 -5.6869 -5.6868 -0.7926 -0.7926 -0.2855 -0.2853 -0.1320 -0.1320 3.9027 3.9042 4.0111 4.0124 4.6545 4.6549 5.1029 5.1035 5.7530 5.7530 6.3663 6.3672 7.5053 7.5068 7.7751 7.7761 10.5814 10.5814 10.7525 10.7543 10.9360 10.9373 16.5368 16.5369 18.1868 18.1869 19.2226 19.2234 19.8262 19.8271 k = 0.0000 0.0000 0.3363 ( 1522 PWs) bands (ev): -8.5137 -8.5137 -5.7652 -5.7651 -0.7801 -0.7801 -0.2855 -0.2852 -0.1085 -0.1085 3.9379 3.9427 3.9739 3.9785 4.6623 4.6627 5.0644 5.0649 5.6962 5.6962 6.4625 6.4633 7.5483 7.5498 7.7994 7.8004 10.4526 10.4527 10.6714 10.6733 10.8483 10.8497 16.5704 16.5705 18.1875 18.1875 19.3540 19.3548 19.9818 19.9828 k = 0.0000 0.0000 0.3475 ( 1522 PWs) bands (ev): -8.4670 -8.4670 -5.8421 -5.8420 -0.7680 -0.7680 -0.2843 -0.2841 -0.0857 -0.0857 3.9127 3.9148 4.0061 4.0080 4.6600 4.6603 5.0278 5.0283 5.6380 5.6381 6.5714 6.5721 7.5912 7.5928 7.8254 7.8263 10.3216 10.3217 10.5930 10.5950 10.7629 10.7644 16.6025 16.6026 18.1816 18.1817 19.4905 19.4913 20.1373 20.1383 k = 0.0000 0.0000 0.3587 ( 1522 PWs) bands (ev): -8.4203 -8.4203 -5.9173 -5.9172 -0.7564 -0.7564 -0.2822 -0.2820 -0.0636 -0.0636 3.8719 3.8730 4.0551 4.0561 4.6503 4.6507 4.9931 4.9934 5.5787 5.5788 6.6908 6.6914 7.6338 7.6353 7.8525 7.8535 10.1884 10.1885 10.5178 10.5199 10.6803 10.6819 16.6331 16.6332 18.1715 18.1715 19.6293 19.6301 20.2920 20.2931 k = 0.0000 0.0000 0.3699 ( 1518 PWs) bands (ev): -8.3739 -8.3739 -5.9902 -5.9902 -0.7453 -0.7453 -0.2795 -0.2793 -0.0425 -0.0425 3.8319 3.8327 4.1060 4.1066 4.6357 4.6361 4.9602 4.9604 5.5186 5.5186 6.8184 6.8189 7.6758 7.6773 7.8804 7.8814 10.0533 10.0533 10.4463 10.4484 10.6008 10.6025 16.6621 16.6622 18.1587 18.1587 19.7682 19.7689 20.4453 20.4465 k = 0.0000 0.0000 0.3811 ( 1522 PWs) bands (ev): -8.3283 -8.3283 -6.0605 -6.0604 -0.7349 -0.7348 -0.2763 -0.2761 -0.0225 -0.0225 3.7940 3.7946 4.1579 4.1584 4.6182 4.6186 4.9292 4.9293 5.4578 5.4579 6.9523 6.9528 7.7168 7.7182 7.9086 7.9095 9.9161 9.9162 10.3788 10.3811 10.5248 10.5266 16.6894 16.6894 18.1442 18.1443 19.9051 19.9058 20.5962 20.5974 k = 0.0000 0.0000 0.3923 ( 1526 PWs) bands (ev): -8.2839 -8.2839 -6.1275 -6.1274 -0.7252 -0.7251 -0.2728 -0.2726 -0.0037 -0.0037 3.7587 3.7592 4.2107 4.2111 4.5993 4.5997 4.9001 4.9002 5.3967 5.3968 7.0912 7.0916 7.7564 7.7578 7.9365 7.9373 9.7772 9.7773 10.3160 10.3183 10.4527 10.4546 16.7147 16.7147 18.1290 18.1290 20.0382 20.0389 20.7438 20.7451 k = 0.0000 0.0000 0.4035 ( 1522 PWs) bands (ev): -8.2411 -8.2411 -6.1907 -6.1906 -0.7162 -0.7162 -0.2692 -0.2691 0.0136 0.0136 3.7263 3.7267 4.2640 4.2644 4.5803 4.5807 4.8733 4.8734 5.3357 5.3358 7.2336 7.2340 7.7943 7.7955 7.9635 7.9643 9.6368 9.6369 10.2583 10.2607 10.3851 10.3871 16.7381 16.7381 18.1139 18.1139 20.1658 20.1664 20.8870 20.8884 k = 0.0000 0.0000 0.4148 ( 1522 PWs) bands (ev): -8.2007 -8.2007 -6.2493 -6.2493 -0.7081 -0.7081 -0.2657 -0.2655 0.0293 0.0293 3.6971 3.6974 4.3176 4.3179 4.5621 4.5624 4.8490 4.8490 5.2750 5.2751 7.3787 7.3790 7.8298 7.8310 7.9892 7.9899 9.4950 9.4951 10.2064 10.2088 10.3226 10.3246 16.7593 16.7593 18.0992 18.0993 20.2859 20.2865 21.0242 21.0256 k = 0.0000 0.0000 0.4260 ( 1522 PWs) bands (ev): -8.1632 -8.1632 -6.3027 -6.3026 -0.7010 -0.7010 -0.2623 -0.2622 0.0432 0.0433 3.6713 3.6716 4.3710 4.3713 4.5452 4.5455 4.8273 4.8274 5.2153 5.2154 7.5254 7.5257 7.8625 7.8635 8.0128 8.0135 9.3521 9.3522 10.1608 10.1632 10.2657 10.2678 16.7782 16.7782 18.0856 18.0856 20.3966 20.3971 21.1536 21.1550 k = 0.0000 0.0000 0.4372 ( 1522 PWs) bands (ev): -8.1295 -8.1295 -6.3499 -6.3499 -0.6948 -0.6948 -0.2593 -0.2592 0.0553 0.0553 3.6491 3.6493 4.4235 4.4238 4.5303 4.5306 4.8086 4.8087 5.1572 5.1573 7.6730 7.6732 7.8918 7.8927 8.0339 8.0345 9.2085 9.2086 10.1220 10.1244 10.2151 10.2172 16.7945 16.7945 18.0734 18.0734 20.4956 20.4961 21.2729 21.2743 k = 0.0000 0.0000 0.4484 ( 1522 PWs) bands (ev): -8.1004 -8.1004 -6.3902 -6.3902 -0.6897 -0.6897 -0.2566 -0.2565 0.0654 0.0654 3.6307 3.6309 4.4741 4.4744 4.5178 4.5179 4.7931 4.7931 5.1019 5.1021 7.8204 7.8205 7.9170 7.9177 8.0520 8.0524 9.0648 9.0649 10.0905 10.0928 10.1716 10.1736 16.8082 16.8082 18.0629 18.0629 20.5809 20.5813 21.3793 21.3806 k = 0.0000 0.0000 0.4596 ( 1518 PWs) bands (ev): -8.0766 -8.0766 -6.4227 -6.4227 -0.6857 -0.6856 -0.2545 -0.2544 0.0733 0.0733 3.6162 3.6163 4.5071 4.5077 4.5215 4.5217 4.7808 4.7808 5.0513 5.0514 7.9371 7.9380 7.9663 7.9668 8.0665 8.0668 8.9222 8.9223 10.0666 10.0687 10.1359 10.1378 16.8191 16.8191 18.0544 18.0544 20.6503 20.6505 21.4692 21.4703 k = 0.0000 0.0000 0.4708 ( 1518 PWs) bands (ev): -8.0590 -8.0590 -6.4466 -6.4465 -0.6827 -0.6827 -0.2529 -0.2528 0.0790 0.0790 3.6058 3.6059 4.5001 4.5003 4.5617 4.5617 4.7719 4.7719 5.0084 5.0085 7.9526 7.9530 8.0768 8.0772 8.1073 8.1073 8.7838 8.7839 10.0503 10.0520 10.1091 10.1107 16.8269 16.8269 18.0482 18.0482 20.7015 20.7017 21.5383 21.5391 k = 0.0000 0.0000 0.4820 ( 1518 PWs) bands (ev): -8.0481 -8.0481 -6.4612 -6.4612 -0.6810 -0.6810 -0.2519 -0.2519 0.0825 0.0825 3.5995 3.5996 4.4957 4.4958 4.5902 4.5902 4.7665 4.7666 4.9783 4.9784 7.9620 7.9622 8.0834 8.0836 8.2320 8.2321 8.6605 8.6605 10.0413 10.0423 10.0924 10.0934 16.8317 16.8317 18.0444 18.0444 20.7331 20.7332 21.5823 21.5827 k = 0.0000 0.0000 0.4932 ( 1518 PWs) bands (ev): -8.0444 -8.0444 -6.4661 -6.4661 -0.6804 -0.6804 -0.2516 -0.2516 0.0837 0.0837 3.5974 3.5974 4.4943 4.4943 4.6007 4.6007 4.7648 4.7648 4.9673 4.9673 7.9652 7.9652 8.0857 8.0857 8.2948 8.2948 8.5982 8.5982 10.0388 10.0388 10.0870 10.0870 16.8333 16.8333 18.0431 18.0431 20.7438 20.7438 21.5975 21.5975 k = 0.0000 0.0000 0.4932 ( 1518 PWs) bands (ev): -8.0444 -8.0444 -6.4661 -6.4661 -0.6804 -0.6804 -0.2516 -0.2516 0.0837 0.0837 3.5974 3.5974 4.4943 4.4943 4.6007 4.6007 4.7648 4.7648 4.9673 4.9673 7.9652 7.9652 8.0857 8.0857 8.2948 8.2948 8.5982 8.5982 10.0388 10.0388 10.0870 10.0870 16.8333 16.8333 18.0431 18.0431 20.7438 20.7438 21.5975 21.5975 k = 0.0111-0.0000 0.4932 ( 1518 PWs) bands (ev): -8.0436 -8.0436 -6.4654 -6.4654 -0.6925 -0.6925 -0.2526 -0.2526 0.0944 0.0945 3.5926 3.5928 4.4851 4.4862 4.5670 4.5697 4.8031 4.8054 4.9787 4.9798 7.9574 7.9579 8.0693 8.0709 8.3072 8.3092 8.6019 8.6026 10.0383 10.0385 10.0860 10.0863 16.8374 16.8375 18.0473 18.0474 20.7444 20.7449 21.5967 21.5972 k = 0.0222-0.0000 0.4932 ( 1518 PWs) bands (ev): -8.0411 -8.0411 -6.4634 -6.4634 -0.7270 -0.7269 -0.2558 -0.2557 0.1248 0.1250 3.5784 3.5788 4.4610 4.4631 4.5081 4.5115 4.8827 4.8855 5.0120 5.0140 7.9353 7.9363 8.0305 8.0328 8.3383 8.3415 8.6130 8.6145 10.0369 10.0373 10.0833 10.0840 16.8498 16.8500 18.0599 18.0603 20.7468 20.7477 21.5947 21.5956 k = 0.0333-0.0000 0.4932 ( 1514 PWs) bands (ev): -8.0369 -8.0369 -6.4601 -6.4601 -0.7794 -0.7794 -0.2612 -0.2610 0.1706 0.1709 3.5549 3.5556 4.4272 4.4298 4.4505 4.4542 4.9754 4.9782 5.0619 5.0645 7.9008 7.9021 7.9805 7.9831 8.3767 8.3805 8.6298 8.6318 10.0350 10.0356 10.0790 10.0800 16.8705 16.8708 18.0810 18.0815 20.7508 20.7521 21.5917 21.5930 k = 0.0444-0.0000 0.4932 ( 1514 PWs) bands (ev): -8.0310 -8.0310 -6.4554 -6.4554 -0.8453 -0.8452 -0.2687 -0.2685 0.2272 0.2276 3.5226 3.5233 4.3882 4.3912 4.4004 4.4043 5.0740 5.0767 5.1237 5.1267 7.8560 7.8576 7.9253 7.9279 8.4163 8.4206 8.6498 8.6524 10.0327 10.0335 10.0734 10.0748 16.8994 16.8998 18.1104 18.1111 20.7562 20.7580 21.5876 21.5893 k = 0.0556-0.0000 0.4932 ( 1516 PWs) bands (ev): -8.0236 -8.0235 -6.4495 -6.4495 -0.9207 -0.9206 -0.2784 -0.2782 0.2909 0.2914 3.4822 3.4830 4.3472 4.3504 4.3595 4.3634 5.1756 5.1782 5.1939 5.1971 7.8031 7.8048 7.8677 7.8702 8.4542 8.4588 8.6709 8.6738 10.0304 10.0314 10.0668 10.0686 16.9361 16.9366 18.1478 18.1486 20.7628 20.7651 21.5828 21.5850 k = 0.0667-0.0000 0.4932 ( 1516 PWs) bands (ev): -8.0144 -8.0144 -6.4422 -6.4422 -1.0030 -1.0030 -0.2905 -0.2902 0.3592 0.3597 3.4349 3.4357 4.3062 4.3096 4.3280 4.3318 5.2703 5.2735 5.2785 5.2810 7.7438 7.7456 7.8096 7.8120 8.4890 8.4938 8.6910 8.6942 10.0286 10.0298 10.0597 10.0617 16.9805 16.9811 18.1929 18.1939 20.7704 20.7731 21.5775 21.5801 k = 0.0778-0.0000 0.4932 ( 1518 PWs) bands (ev): -8.0036 -8.0036 -6.4337 -6.4337 -1.0904 -1.0904 -0.3049 -0.3046 0.4304 0.4309 3.3824 3.3830 4.2663 4.2699 4.3053 4.3089 5.3512 5.3546 5.3810 5.3834 7.6796 7.6814 7.7523 7.7545 8.5196 8.5248 8.7088 8.7122 10.0279 10.0292 10.0523 10.0547 17.0323 17.0330 18.2454 18.2466 20.7784 20.7816 21.5721 21.5751 k = 0.0889-0.0000 0.4932 ( 1518 PWs) bands (ev): -7.9913 -7.9913 -6.4239 -6.4239 -1.1816 -1.1816 -0.3217 -0.3214 0.5033 0.5039 3.3262 3.3268 4.2282 4.2320 4.2903 4.2938 5.4356 5.4391 5.4816 5.4837 7.6115 7.6133 7.6973 7.6992 8.5455 8.5508 8.7231 8.7266 10.0286 10.0301 10.0454 10.0480 17.0912 17.0920 18.3050 18.3064 20.7866 20.7902 21.5669 21.5705 k = 0.1000-0.0000 0.4932 ( 1520 PWs) bands (ev): -7.9773 -7.9773 -6.4128 -6.4128 -1.2757 -1.2757 -0.3410 -0.3407 0.5771 0.5778 3.2680 3.2685 4.1925 4.1963 4.2820 4.2853 5.5226 5.5261 5.5784 5.5804 7.5403 7.5421 7.6458 7.6476 8.5661 8.5716 8.7331 8.7367 10.0310 10.0329 10.0395 10.0422 17.1569 17.1578 18.3712 18.3728 20.7943 20.7983 21.5626 21.5665 k = 0.1111-0.0000 0.4932 ( 1520 PWs) bands (ev): -7.9617 -7.9617 -6.4006 -6.4006 -1.3721 -1.3720 -0.3630 -0.3626 0.6515 0.6522 3.2094 3.2098 4.1593 4.1632 4.2794 4.2826 5.6113 5.6148 5.6697 5.6715 7.4669 7.4686 7.5998 7.6013 8.5809 8.5866 8.7385 8.7422 10.0329 10.0364 10.0378 10.0393 17.2290 17.2299 18.4436 18.4453 20.8011 20.8055 21.5595 21.5639 k = 0.1222-0.0000 0.4932 ( 1528 PWs) bands (ev): -7.9447 -7.9447 -6.3872 -6.3872 -1.4701 -1.4701 -0.3875 -0.3871 0.7260 0.7268 3.1515 3.1518 4.1287 4.1327 4.2816 4.2847 5.7009 5.7045 5.7532 5.7548 7.3917 7.3933 7.5610 7.5622 8.5899 8.5956 8.7392 8.7428 10.0306 10.0343 10.0446 10.0460 17.3070 17.3080 18.5215 18.5235 20.8064 20.8111 21.5583 21.5630 k = 0.1333-0.0000 0.4932 ( 1528 PWs) bands (ev): -7.9261 -7.9261 -6.3726 -6.3726 -1.5695 -1.5695 -0.4147 -0.4143 0.8006 0.8014 3.0955 3.0957 4.1009 4.1049 4.2878 4.2908 5.7908 5.7943 5.8266 5.8280 7.3154 7.3169 7.5317 7.5326 8.5927 8.5986 8.7353 8.7389 10.0297 10.0335 10.0547 10.0562 17.3905 17.3916 18.6046 18.6068 20.8097 20.8146 21.5595 21.5646 k = 0.1444-0.0000 0.4932 ( 1528 PWs) bands (ev): -7.9060 -7.9060 -6.3570 -6.3569 -1.6698 -1.6698 -0.4447 -0.4442 0.8750 0.8759 3.0423 3.0424 4.0757 4.0798 4.2975 4.3004 5.8799 5.8833 5.8874 5.8886 7.2384 7.2399 7.5142 7.5147 8.5896 8.5955 8.7273 8.7308 10.0309 10.0348 10.0675 10.0691 17.4792 17.4803 18.6921 18.6945 20.8105 20.8156 21.5577 21.5582 k = 0.1556-0.0000 0.4932 ( 1528 PWs) bands (ev): -7.8845 -7.8845 -6.3402 -6.3402 -1.7708 -1.7708 -0.4773 -0.4768 0.9492 0.9501 2.9924 2.9924 4.0532 4.0574 4.3103 4.3131 5.9331 5.9340 5.9672 5.9707 7.1616 7.1629 7.5104 7.5106 8.5807 8.5865 8.7159 8.7193 10.0346 10.0386 10.0828 10.0843 17.5723 17.5735 18.7834 18.7860 20.8085 20.8136 21.5040 21.5047 k = 0.1667-0.0000 0.4932 ( 1532 PWs) bands (ev): -7.8615 -7.8615 -6.3225 -6.3224 -1.8723 -1.8722 -0.5126 -0.5121 1.0232 1.0241 2.9464 2.9464 4.0333 4.0375 4.3257 4.3284 5.9623 5.9629 6.0514 6.0549 7.0855 7.0866 7.5214 7.5216 8.5665 8.5722 8.7022 8.7054 10.0407 10.0447 10.1002 10.1016 17.6695 17.6708 18.8777 18.8806 20.8036 20.8086 21.4516 21.4524 k = 0.1778-0.0000 0.4932 ( 1532 PWs) bands (ev): -7.8373 -7.8373 -6.3038 -6.3037 -1.9738 -1.9738 -0.5505 -0.5499 1.0969 1.0979 2.9047 2.9048 4.0158 4.0200 4.3434 4.3460 5.9741 5.9745 6.1311 6.1345 7.0110 7.0119 7.5475 7.5481 8.5477 8.5533 8.6871 8.6901 10.0490 10.0531 10.1194 10.1208 17.7701 17.7715 18.9742 18.9774 20.7959 20.8006 21.4013 21.4022 k = 0.1889-0.0000 0.4932 ( 1528 PWs) bands (ev): -7.8117 -7.8117 -6.2841 -6.2841 -2.0754 -2.0753 -0.5909 -0.5903 1.1703 1.1714 2.8676 2.8678 4.0006 4.0048 4.3631 4.3657 5.9692 5.9693 6.2041 6.2073 6.9397 6.9403 7.5877 7.5887 8.5252 8.5306 8.6720 8.6748 10.0595 10.0635 10.1400 10.1413 17.8736 17.8751 19.0720 19.0756 20.7858 20.7902 21.3539 21.3549 k = 0.2000-0.0000 0.4932 ( 1528 PWs) bands (ev): -7.7848 -7.7848 -6.2637 -6.2636 -2.1767 -2.1766 -0.6336 -0.6331 1.2435 1.2446 2.8353 2.8355 3.9874 3.9918 4.3847 4.3873 5.9489 5.9489 6.2675 6.2705 6.8735 6.8738 7.6396 7.6409 8.5003 8.5055 8.6582 8.6609 10.0718 10.0757 10.1616 10.1628 17.9794 17.9809 19.1702 19.1741 20.7739 20.7778 21.3100 21.3112 k = 0.2111-0.0000 0.4932 ( 1532 PWs) bands (ev): -7.7568 -7.7568 -6.2424 -6.2424 -2.2774 -2.2774 -0.6786 -0.6781 1.3165 1.3177 2.8080 2.8082 3.9762 3.9806 4.4080 4.4105 5.9153 5.9154 6.3171 6.3197 6.8155 6.8158 7.6995 7.7012 8.4750 8.4799 8.6473 8.6498 10.0855 10.0894 10.1837 10.1849 18.0868 18.0883 19.2675 19.2719 20.7610 20.7643 21.2705 21.2718 k = 0.2222-0.0000 0.4932 ( 1530 PWs) bands (ev): -7.7277 -7.7277 -6.2205 -6.2204 -2.3775 -2.3774 -0.7256 -0.7250 1.3893 1.3906 2.7857 2.7859 3.9667 3.9711 4.4326 4.4352 5.8709 5.8711 6.3473 6.3492 6.7704 6.7715 7.7629 7.7650 8.4520 8.4565 8.6407 8.6430 10.1004 10.1042 10.2061 10.2072 18.1950 18.1966 19.3628 19.3676 20.7481 20.7508 21.2361 21.2375 k = 0.2333-0.0000 0.4932 ( 1530 PWs) bands (ev): -7.6976 -7.6976 -6.1979 -6.1979 -2.4767 -2.4766 -0.7743 -0.7737 1.4620 1.4633 2.7683 2.7685 3.9586 3.9631 4.4586 4.4611 5.8178 5.8180 6.3526 6.3536 6.7430 6.7450 7.8240 7.8264 8.4354 8.4395 8.6400 8.6421 10.1161 10.1198 10.2282 10.2293 18.3033 18.3050 19.4546 19.4599 20.7365 20.7384 21.2076 21.2090 k = 0.2444-0.0000 0.4932 ( 1534 PWs) bands (ev): -7.6665 -7.6665 -6.1748 -6.1747 -2.5748 -2.5747 -0.8245 -0.8240 1.5345 1.5359 2.7557 2.7560 3.9517 3.9562 4.4856 4.4881 5.7580 5.7583 6.3325 6.3328 6.7328 6.7357 7.8754 7.8782 8.4312 8.4348 8.6463 8.6482 10.1322 10.1358 10.2498 10.2508 18.4109 18.4126 19.5412 19.5470 20.7274 20.7285 21.1857 21.1873 k = 0.2556-0.0000 0.4932 ( 1534 PWs) bands (ev): -7.6346 -7.6345 -6.1512 -6.1512 -2.6716 -2.6715 -0.8759 -0.8754 1.6069 1.6084 2.7480 2.7482 3.9456 3.9502 4.5134 4.5160 5.6933 5.6934 6.2931 6.2933 6.7333 6.7367 7.9092 7.9125 8.4459 8.4489 8.6607 8.6625 10.1484 10.1519 10.2705 10.2715 18.5170 18.5187 19.6210 19.6273 20.7223 20.7227 21.1714 21.1730 k = 0.2667-0.0000 0.4932 ( 1534 PWs) bands (ev): -7.6019 -7.6019 -6.1273 -6.1273 -2.7668 -2.7668 -0.9282 -0.9277 1.6793 1.6808 2.7449 2.7451 3.9401 3.9446 4.5419 4.5445 5.6248 5.6250 6.2423 6.2427 6.7364 6.7401 7.9207 7.9243 8.4836 8.4861 8.6840 8.6856 10.1644 10.1678 10.2901 10.2911 18.6206 18.6224 19.6923 19.6991 20.7223 20.7227 21.1655 21.1671 k = 0.2778-0.0000 0.4932 ( 1526 PWs) bands (ev): -7.5686 -7.5686 -6.1031 -6.1031 -2.8604 -2.8603 -0.9812 -0.9807 1.7516 1.7531 2.7463 2.7465 3.9347 3.9393 4.5707 4.5733 5.5540 5.5540 6.1862 6.1868 6.7365 6.7403 7.9109 7.9148 8.5424 8.5446 8.7163 8.7179 10.1800 10.1833 10.3083 10.3092 18.7210 18.7229 19.7535 19.7609 20.7286 20.7298 21.1686 21.1703 k = 0.2889-0.0000 0.4932 ( 1526 PWs) bands (ev): -7.5348 -7.5348 -6.0788 -6.0788 -2.9520 -2.9519 -1.0343 -1.0338 1.8238 1.8254 2.7519 2.7521 3.9290 3.9336 4.5994 4.6021 5.4818 5.4818 6.1285 6.1290 6.7304 6.7343 7.8850 7.8889 8.6168 8.6188 8.7575 8.7590 10.1947 10.1979 10.3248 10.3257 18.8172 18.8191 19.8036 19.8113 20.7423 20.7440 21.1815 21.1831 k = 0.3000-0.0000 0.4932 ( 1530 PWs) bands (ev): -7.5007 -7.5007 -6.0545 -6.0545 -3.0414 -3.0414 -1.0875 -1.0870 1.8960 1.8977 2.7615 2.7617 3.9227 3.9273 4.6275 4.6303 5.4092 5.4094 6.0713 6.0719 6.7171 6.7210 7.8483 7.8521 8.7009 8.7028 8.8070 8.8085 10.2084 10.2115 10.3394 10.3402 18.9085 18.9105 19.8422 19.8501 20.7633 20.7653 21.2041 21.2054 k = 0.3111-0.0000 0.4932 ( 1534 PWs) bands (ev): -7.4664 -7.4663 -6.0303 -6.0303 -3.1285 -3.1284 -1.1401 -1.1397 1.9681 1.9699 2.7749 2.7751 3.9153 3.9199 4.6544 4.6572 5.3374 5.3378 6.0162 6.0167 6.6964 6.7002 7.8047 7.8084 8.7907 8.7925 8.8639 8.8653 10.2208 10.2239 10.3518 10.3526 18.9944 18.9964 19.8701 19.8779 20.7905 20.7926 21.2130 21.2163 k = 0.3222-0.0000 0.4932 ( 1538 PWs) bands (ev): -7.4320 -7.4320 -6.0064 -6.0063 -3.2129 -3.2128 -1.1921 -1.1917 2.0402 2.0420 2.7919 2.7920 3.9062 3.9109 4.6789 4.6819 5.2680 5.2686 5.9642 5.9647 6.6687 6.6724 7.7570 7.7605 8.8832 8.8850 8.9272 8.9286 10.2318 10.2347 10.3619 10.3627 19.0744 19.0765 19.8884 19.8961 20.8222 20.8241 21.1418 21.1449 k = 0.3333-0.0000 0.4932 ( 1544 PWs) bands (ev): -7.3979 -7.3979 -5.9828 -5.9828 -3.2944 -3.2944 -1.2430 -1.2426 2.1121 2.1139 2.8121 2.8122 3.8952 3.8998 4.6995 4.7027 5.2027 5.2036 5.9163 5.9168 6.6349 6.6385 7.7070 7.7104 8.9765 8.9784 8.9956 8.9970 10.2410 10.2438 10.3694 10.3702 19.1485 19.1506 19.8989 19.9064 20.8556 20.8571 21.0640 21.0669 k = 0.3444-0.0000 0.4932 ( 1540 PWs) bands (ev): -7.3641 -7.3641 -5.9597 -5.9597 -3.3728 -3.3727 -1.2924 -1.2920 2.1838 2.1857 2.8352 2.8353 3.8817 3.8863 4.7136 4.7170 5.1445 5.1456 5.8731 5.8736 6.5958 6.5993 7.6559 7.6591 9.0680 9.0694 9.0695 9.0713 10.2483 10.2511 10.3742 10.3750 19.2167 19.2189 19.9037 19.9108 20.8875 20.8884 20.9858 20.9887 k = 0.3556-0.0000 0.4932 ( 1544 PWs) bands (ev): -7.3309 -7.3309 -5.9374 -5.9373 -3.4477 -3.4476 -1.3401 -1.3397 2.2552 2.2572 2.8610 2.8610 3.8654 3.8699 4.7176 4.7211 5.0971 5.0984 5.8352 5.8357 6.5523 6.5557 7.6047 7.6077 9.1433 9.1447 9.1609 9.1628 10.2534 10.2561 10.3760 10.3768 19.2794 19.2817 19.9043 19.9110 20.9077 20.9087 20.9138 20.9157 k = 0.3667-0.0000 0.4932 ( 1540 PWs) bands (ev): -7.2985 -7.2985 -5.9158 -5.9157 -3.5189 -3.5188 -1.3857 -1.3854 2.3263 2.3283 2.8890 2.8890 3.8459 3.8504 4.7077 4.7111 5.0647 5.0660 5.8032 5.8037 6.5054 6.5087 7.5541 7.5569 9.2205 9.2218 9.2504 9.2523 10.2562 10.2589 10.3748 10.3757 19.3373 19.3396 19.9023 19.9086 20.8304 20.8331 20.9274 20.9283 k = 0.3778-0.0000 0.4932 ( 1540 PWs) bands (ev): -7.2672 -7.2672 -5.8952 -5.8952 -3.5860 -3.5860 -1.4290 -1.4287 2.3969 2.3989 2.9189 2.9189 3.8231 3.8275 4.6823 4.6854 5.0491 5.0503 5.7774 5.7779 6.4559 6.4590 7.5049 7.5075 9.2985 9.2999 9.3372 9.3391 10.2565 10.2591 10.3704 10.3712 19.3909 19.3933 19.8990 19.9048 20.7538 20.7566 20.9223 20.9240 k = 0.3889-0.0000 0.4932 ( 1540 PWs) bands (ev): -7.2373 -7.2373 -5.8757 -5.8757 -3.6489 -3.6488 -1.4696 -1.4693 2.4667 2.4688 2.9502 2.9503 3.7968 3.8011 4.6438 4.6465 5.0479 5.0488 5.7580 5.7586 6.4045 6.4075 7.4575 7.4599 9.3766 9.3780 9.4210 9.4229 10.2540 10.2566 10.3625 10.3634 19.4412 19.4436 19.8951 19.9004 20.6784 20.6812 20.8973 20.8992 k = 0.4000-0.0000 0.4932 ( 1540 PWs) bands (ev): -7.2090 -7.2090 -5.8575 -5.8575 -3.7070 -3.7070 -1.5073 -1.5070 2.5356 2.5378 2.9825 2.9825 3.7672 3.7713 4.5970 4.5993 5.0564 5.0570 5.7452 5.7458 6.3519 6.3547 7.4126 7.4148 9.4540 9.4553 9.5014 9.5033 10.2487 10.2512 10.3512 10.3521 19.4888 19.4912 19.8914 19.8963 20.6044 20.6072 20.8588 20.8603 k = 0.4111-0.0000 0.4932 ( 1546 PWs) bands (ev): -7.1827 -7.1826 -5.8408 -5.8408 -3.7602 -3.7602 -1.5418 -1.5415 2.6032 2.6054 3.0151 3.0152 3.7343 3.7383 4.5464 4.5484 5.0703 5.0707 5.7389 5.7396 6.2987 6.3014 7.3706 7.3726 9.5299 9.5312 9.5780 9.5800 10.2403 10.2427 10.3363 10.3372 19.5343 19.5367 19.8884 19.8928 20.5323 20.5351 20.8143 20.8154 k = 0.4222-0.0000 0.4932 ( 1542 PWs) bands (ev): -7.1585 -7.1585 -5.8256 -5.8256 -3.8081 -3.8081 -1.5728 -1.5726 2.6691 2.6713 3.0474 3.0474 3.6988 3.7026 4.4955 4.4971 5.0867 5.0869 5.7391 5.7399 6.2456 6.2482 7.3321 7.3339 9.6039 9.6052 9.6509 9.6529 10.2286 10.2310 10.3177 10.3187 19.5786 19.5810 19.8863 19.8902 20.4624 20.4652 20.7689 20.7697 k = 0.4333-0.0000 0.4932 ( 1534 PWs) bands (ev): -7.1368 -7.1368 -5.8122 -5.8121 -3.8504 -3.8504 -1.6002 -1.6000 2.7325 2.7347 3.0785 3.0786 3.6613 3.6649 4.4465 4.4479 5.1035 5.1036 5.7454 5.7463 6.1932 6.1956 7.2976 7.2991 9.6753 9.6766 9.7196 9.7217 10.2135 10.2159 10.2956 10.2965 19.6218 19.6242 19.8852 19.8886 20.3954 20.3980 20.7256 20.7262 k = 0.4444-0.0000 0.4932 ( 1534 PWs) bands (ev): -7.1180 -7.1179 -5.8005 -5.8005 -3.8868 -3.8867 -1.6237 -1.6236 2.7926 2.7947 3.1076 3.1077 3.6229 3.6262 4.4014 4.4025 5.1194 5.1194 5.7575 5.7586 6.1419 6.1442 7.2675 7.2688 9.7434 9.7447 9.7842 9.7863 10.1949 10.1972 10.2699 10.2709 19.6640 19.6663 19.8850 19.8879 20.3317 20.3342 20.6863 20.6867 k = 0.4556-0.0000 0.4932 ( 1532 PWs) bands (ev): -7.1021 -7.1021 -5.7909 -5.7908 -3.9169 -3.9169 -1.6432 -1.6431 2.8480 2.8499 3.1337 3.1338 3.5852 3.5881 4.3617 4.3626 5.1335 5.1335 5.7749 5.7760 6.0925 6.0946 7.2422 7.2432 9.8076 9.8088 9.8445 9.8465 10.1725 10.1748 10.2410 10.2420 19.7048 19.7071 19.8856 19.8879 20.2725 20.2749 20.6523 20.6525 k = 0.4667-0.0000 0.4932 ( 1528 PWs) bands (ev): -7.0895 -7.0895 -5.7832 -5.7832 -3.9407 -3.9406 -1.6585 -1.6584 2.8966 2.8983 3.1556 3.1556 3.5502 3.5526 4.3290 4.3297 5.1451 5.1451 5.7968 5.7980 6.0457 6.0476 7.2221 7.2229 9.8668 9.8679 9.9004 9.9024 10.1464 10.1486 10.2097 10.2107 19.7433 19.7453 19.8866 19.8884 20.2194 20.2216 20.6247 20.6248 k = 0.4778-0.0000 0.4932 ( 1532 PWs) bands (ev): -7.0804 -7.0804 -5.7777 -5.7777 -3.9578 -3.9578 -1.6695 -1.6694 2.9356 2.9369 3.1722 3.1722 3.5210 3.5227 4.3045 4.3050 5.1537 5.1537 5.8218 5.8230 6.0029 6.0047 7.2076 7.2081 9.9189 9.9199 9.9518 9.9539 10.1163 10.1185 10.1777 10.1786 19.7768 19.7784 19.8877 19.8889 20.1753 20.1770 20.6043 20.6044 k = 0.4889-0.0000 0.4932 ( 1524 PWs) bands (ev): -7.0748 -7.0748 -5.7744 -5.7744 -3.9681 -3.9681 -1.6761 -1.6761 2.9616 2.9623 3.1826 3.1827 3.5013 3.5023 4.2894 4.2896 5.1590 5.1590 5.8463 5.8473 5.9681 5.9693 7.1988 7.1991 9.9591 9.9597 9.9985 10.0006 10.0825 10.0846 10.1500 10.1506 19.8012 19.8022 19.8887 19.8893 20.1451 20.1461 20.5919 20.5919 k = 0.5000-0.0000 0.4932 ( 1524 PWs) bands (ev): -7.0730 -7.0730 -5.7733 -5.7733 -3.9715 -3.9715 -1.6783 -1.6783 2.9710 2.9710 3.1862 3.1862 3.4946 3.4946 4.2844 4.2844 5.1608 5.1608 5.8592 5.8592 5.9528 5.9528 7.1959 7.1959 9.9758 9.9758 10.0335 10.0335 10.0539 10.0539 10.1379 10.1379 19.8107 19.8107 19.8892 19.8892 20.1343 20.1343 20.5876 20.5876 k = 0.5000-0.0000 0.4932 ( 1524 PWs) bands (ev): -7.0730 -7.0730 -5.7733 -5.7733 -3.9715 -3.9715 -1.6783 -1.6783 2.9710 2.9710 3.1862 3.1862 3.4946 3.4946 4.2844 4.2844 5.1608 5.1608 5.8592 5.8592 5.9528 5.9528 7.1959 7.1959 9.9758 9.9758 10.0335 10.0335 10.0539 10.0539 10.1379 10.1379 19.8107 19.8107 19.8892 19.8892 20.1343 20.1343 20.5876 20.5876 k = 0.5000 0.0111 0.4932 ( 1524 PWs) bands (ev): -7.0722 -7.0722 -5.7730 -5.7730 -3.9705 -3.9705 -1.6774 -1.6773 2.9584 2.9587 3.1335 3.1340 3.5465 3.5473 4.2826 4.2832 5.1536 5.1539 5.8799 5.8807 5.9392 5.9393 7.2092 7.2097 9.9742 9.9750 10.0339 10.0339 10.0568 10.0573 10.1388 10.1389 19.8099 19.8100 19.8890 19.8892 20.1340 20.1341 20.5879 20.5879 k = 0.5000 0.0222 0.4932 ( 1524 PWs) bands (ev): -7.0699 -7.0699 -5.7721 -5.7721 -3.9674 -3.9673 -1.6744 -1.6744 2.9221 2.9226 3.0250 3.0256 3.6543 3.6554 4.2752 4.2764 5.1387 5.1393 5.9005 5.9007 5.9382 5.9395 7.2477 7.2487 9.9708 9.9720 10.0350 10.0350 10.0657 10.0665 10.1417 10.1418 19.8075 19.8078 19.8887 19.8892 20.1331 20.1333 20.5885 20.5885 k = 0.5000 0.0333 0.4932 ( 1524 PWs) bands (ev): -7.0661 -7.0661 -5.7706 -5.7706 -3.9621 -3.9621 -1.6695 -1.6695 2.8649 2.8656 2.9007 2.9013 3.7772 3.7784 4.2558 4.2574 5.1302 5.1308 5.8415 5.8416 6.0236 6.0253 7.3069 7.3083 9.9666 9.9682 10.0368 10.0369 10.0795 10.0804 10.1465 10.1467 19.8036 19.8040 19.8883 19.8890 20.1316 20.1319 20.5894 20.5894 k = 0.5000 0.0444 0.4932 ( 1520 PWs) bands (ev): -7.0608 -7.0608 -5.7685 -5.7685 -3.9548 -3.9547 -1.6627 -1.6627 2.7715 2.7721 2.7904 2.7913 3.9035 3.9049 4.2177 4.2197 5.1402 5.1408 5.7680 5.7681 6.1268 6.1289 7.3816 7.3835 9.9625 9.9644 10.0394 10.0395 10.0973 10.0981 10.1533 10.1535 19.7980 19.7986 19.8878 19.8887 20.1296 20.1300 20.5904 20.5904 k = 0.5000 0.0555 0.4932 ( 1520 PWs) bands (ev): -7.0539 -7.0539 -5.7659 -5.7659 -3.9453 -3.9453 -1.6539 -1.6539 2.6410 2.6415 2.7022 2.7032 4.0284 4.0301 4.1583 4.1605 5.1740 5.1748 5.6859 5.6860 6.2413 6.2437 7.4670 7.4693 9.9591 9.9612 10.0427 10.0428 10.1185 10.1193 10.1620 10.1623 19.7906 19.7912 19.8874 19.8885 20.1270 20.1275 20.5911 20.5911 k = 0.5000 0.0666 0.4932 ( 1532 PWs) bands (ev): -7.0456 -7.0455 -5.7627 -5.7627 -3.9338 -3.9337 -1.6432 -1.6432 2.5102 2.5107 2.6036 2.6046 4.0792 4.0815 4.1487 4.1506 5.2307 5.2316 5.6007 5.6010 6.3630 6.3656 7.5594 7.5619 9.9566 9.9588 10.0468 10.0468 10.1430 10.1437 10.1728 10.1732 19.7812 19.7819 19.8868 19.8881 20.1238 20.1244 20.5910 20.5910 k = 0.5000 0.0777 0.4932 ( 1536 PWs) bands (ev): -7.0357 -7.0357 -5.7590 -5.7590 -3.9202 -3.9201 -1.6306 -1.6306 2.3803 2.3807 2.4970 2.4981 3.9849 3.9872 4.2600 4.2623 5.3062 5.3072 5.5186 5.5191 6.4892 6.4920 7.6558 7.6587 9.9552 9.9574 10.0516 10.0517 10.1708 10.1713 10.1856 10.1861 19.7697 19.7705 19.8866 19.8880 20.1200 20.1208 20.5896 20.5896 k = 0.5000 0.0888 0.4932 ( 1532 PWs) bands (ev): -7.0244 -7.0244 -5.7549 -5.7548 -3.9044 -3.9044 -1.6160 -1.6160 2.2516 2.2519 2.3844 2.3855 3.8797 3.8820 4.3565 4.3591 5.3956 5.3967 5.4470 5.4480 6.6182 6.6212 7.7542 7.7574 9.9548 9.9571 10.0571 10.0572 10.2005 10.2010 10.2019 10.2021 19.7560 19.7569 19.8866 19.8882 20.1158 20.1166 20.5859 20.5859 k = 0.5000 0.0999 0.4932 ( 1532 PWs) bands (ev): -7.0116 -7.0116 -5.7503 -5.7502 -3.8866 -3.8865 -1.5996 -1.5996 2.1243 2.1246 2.2673 2.2685 3.7670 3.7693 4.4292 4.4322 5.3959 5.3971 5.4951 5.4963 6.7486 6.7518 7.8530 7.8565 9.9556 9.9580 10.0634 10.0635 10.2177 10.2184 10.2362 10.2363 19.7400 19.7409 19.8867 19.8884 20.1110 20.1119 20.5788 20.5789 k = 0.5000 0.1110 0.4932 ( 1536 PWs) bands (ev): -6.9973 -6.9973 -5.7453 -5.7453 -3.8667 -3.8666 -1.5813 -1.5813 1.9988 1.9991 2.1469 2.1481 3.6494 3.6517 4.4676 4.4709 5.3766 5.3781 5.6015 5.6029 6.8795 6.8829 7.9509 7.9547 9.9576 9.9599 10.0705 10.0706 10.2371 10.2379 10.2739 10.2740 19.7216 19.7225 19.8869 19.8887 20.1055 20.1066 20.5672 20.5673 k = 0.5000 0.1221 0.4932 ( 1536 PWs) bands (ev): -6.9817 -6.9816 -5.7400 -5.7400 -3.8447 -3.8446 -1.5611 -1.5611 1.8753 1.8755 2.0242 2.0253 3.5288 3.5310 4.4649 4.4682 5.3968 5.3983 5.7128 5.7143 7.0102 7.0137 8.0470 8.0512 9.9606 9.9630 10.0783 10.0784 10.2589 10.2598 10.3149 10.3154 19.7006 19.7016 19.8874 19.8892 20.0996 20.1008 20.5496 20.5497 k = 0.5000 0.1332 0.4932 ( 1536 PWs) bands (ev): -6.9646 -6.9645 -5.7344 -5.7344 -3.8207 -3.8206 -1.5391 -1.5390 1.7539 1.7541 1.8996 1.9008 3.4064 3.4086 4.4234 4.4265 5.4542 5.4555 5.8274 5.8290 7.1399 7.1436 8.1405 8.1450 9.9648 9.9671 10.0869 10.0870 10.2831 10.2841 10.3596 10.3603 19.6771 19.6780 19.8879 19.8899 20.0931 20.0944 20.5248 20.5250 k = 0.5000 0.1443 0.4932 ( 1536 PWs) bands (ev): -6.9461 -6.9461 -5.7286 -5.7285 -3.7945 -3.7944 -1.5152 -1.5152 1.6349 1.6351 1.7739 1.7751 3.2832 3.2853 4.3527 4.3555 5.5396 5.5406 5.9440 5.9457 7.2681 7.2720 8.2308 8.2356 9.9700 9.9723 10.0962 10.0962 10.3098 10.3110 10.4079 10.4089 19.6509 19.6518 19.8886 19.8907 20.0860 20.0874 20.4920 20.4923 k = 0.5000 0.1554 0.4932 ( 1536 PWs) bands (ev): -6.9263 -6.9262 -5.7226 -5.7226 -3.7663 -3.7662 -1.4896 -1.4896 1.5184 1.5185 1.6475 1.6486 3.1598 3.1619 4.2625 4.2651 5.6431 5.6438 6.0617 6.0635 7.3944 7.3985 8.3174 8.3224 9.9763 9.9786 10.1062 10.1063 10.3392 10.3405 10.4598 10.4611 19.6220 19.6230 19.8894 19.8915 20.0783 20.0798 20.4511 20.4515 k = 0.5000 0.1665 0.4932 ( 1540 PWs) bands (ev): -6.9052 -6.9051 -5.7166 -5.7165 -3.7360 -3.7359 -1.4623 -1.4622 1.4045 1.4046 1.5206 1.5218 3.0369 3.0389 4.1601 4.1624 5.7576 5.7580 6.1798 6.1817 7.5183 7.5225 8.3999 8.4053 9.9836 9.9859 10.1170 10.1170 10.3713 10.3728 10.5153 10.5168 19.5905 19.5914 19.8902 19.8924 20.0700 20.0715 20.4027 20.4032 k = 0.5000 0.1776 0.4932 ( 1536 PWs) bands (ev): -6.8827 -6.8827 -5.7105 -5.7105 -3.7037 -3.7035 -1.4332 -1.4331 1.2934 1.2935 1.3937 1.3948 2.9148 2.9168 4.0501 4.0523 5.8785 5.8787 6.2976 6.2996 7.6393 7.6437 8.4782 8.4837 9.9920 9.9943 10.1284 10.1285 10.4064 10.4080 10.5742 10.5760 19.5563 19.5573 19.8910 19.8934 20.0609 20.0625 20.3476 20.3482 k = 0.5000 0.1887 0.4932 ( 1536 PWs) bands (ev): -6.8590 -6.8590 -5.7046 -5.7046 -3.6693 -3.6691 -1.4025 -1.4024 1.1853 1.1853 1.2669 1.2681 2.7940 2.7960 3.9354 3.9373 6.0030 6.0030 6.4146 6.4167 7.7570 7.7617 8.5519 8.5577 10.0014 10.0036 10.1406 10.1407 10.4443 10.4461 10.6363 10.6384 19.5196 19.5205 19.8917 19.8942 20.0510 20.0526 20.2871 20.2877 k = 0.5000 0.1998 0.4932 ( 1532 PWs) bands (ev): -6.8341 -6.8341 -5.6988 -5.6988 -3.6328 -3.6326 -1.3701 -1.3701 1.0803 1.0803 1.1406 1.1417 2.6748 2.6767 3.8176 3.8195 6.1289 6.1292 6.5304 6.5326 7.8711 7.8760 8.6210 8.6271 10.0118 10.0139 10.1535 10.1536 10.4853 10.4873 10.7014 10.7037 19.4805 19.4814 19.8924 19.8950 20.0398 20.0413 20.2227 20.2232 k = 0.5000 0.2109 0.4932 ( 1536 PWs) bands (ev): -6.8080 -6.8080 -5.6933 -5.6933 -3.5943 -3.5941 -1.3363 -1.3363 0.9784 0.9785 1.0147 1.0158 2.5573 2.5593 3.6982 3.6999 6.2553 6.2558 6.6445 6.6468 7.9812 7.9862 8.6856 8.6919 10.0232 10.0252 10.1670 10.1671 10.5294 10.5315 10.7691 10.7715 19.4390 19.4400 19.8930 19.8957 20.0261 20.0273 20.1566 20.1568 k = 0.5000 0.2220 0.4932 ( 1536 PWs) bands (ev): -6.7808 -6.7807 -5.6882 -5.6881 -3.5538 -3.5535 -1.3010 -1.3010 0.8800 0.8800 0.8897 0.8908 2.4420 2.4439 3.5778 3.5794 6.3812 6.3819 6.7565 6.7589 8.0870 8.0922 8.7457 8.7522 10.0356 10.0375 10.1811 10.1814 10.5765 10.5788 10.8389 10.8416 19.3954 19.3964 19.8934 19.8961 20.0058 20.0060 20.0935 20.0944 k = 0.5000 0.2331 0.4932 ( 1544 PWs) bands (ev): -6.7525 -6.7524 -5.6835 -5.6835 -3.5112 -3.5110 -1.2644 -1.2644 0.7655 0.7666 0.7851 0.7851 2.3290 2.3308 3.4570 3.4586 6.5059 6.5067 6.8661 6.8687 8.1881 8.1936 8.8015 8.8081 10.0488 10.0506 10.1958 10.1961 10.6268 10.6292 10.9104 10.9133 19.3500 19.3510 19.8935 19.8963 19.9647 19.9661 20.0467 20.0493 k = 0.5000 0.2442 0.4932 ( 1544 PWs) bands (ev): -6.7232 -6.7231 -5.6794 -5.6794 -3.4666 -3.4663 -1.2266 -1.2265 0.6424 0.6435 0.6938 0.6939 2.2185 2.2204 3.3365 3.3379 6.6287 6.6297 6.9731 6.9757 8.2845 8.2901 8.8531 8.8599 10.0631 10.0648 10.2112 10.2116 10.6801 10.6827 10.9832 10.9862 19.3030 19.3040 19.8934 19.8949 19.9022 19.9027 20.0218 20.0250 k = 0.5000 0.2553 0.4932 ( 1544 PWs) bands (ev): -6.6929 -6.6928 -5.6760 -5.6759 -3.4199 -3.4197 -1.1877 -1.1876 0.5206 0.5217 0.6062 0.6063 2.1109 2.1127 3.2163 3.2177 6.7492 6.7504 7.0771 7.0798 8.3759 8.3817 8.9008 8.9077 10.0783 10.0799 10.2271 10.2276 10.7363 10.7390 11.0568 11.0599 19.2547 19.2558 19.8267 19.8290 19.8930 19.8964 20.0056 20.0089 k = 0.5000 0.2664 0.4932 ( 1536 PWs) bands (ev): -6.6616 -6.6615 -5.6733 -5.6733 -3.3713 -3.3710 -1.1479 -1.1478 0.4002 0.4013 0.5226 0.5227 2.0063 2.0081 3.0970 3.0984 6.8671 6.8684 7.1778 7.1807 8.4623 8.4682 8.9448 8.9518 10.0944 10.0959 10.2436 10.2441 10.7952 10.7981 11.1304 11.1337 19.2054 19.2065 19.7496 19.7518 19.8925 19.8959 19.9921 19.9955 k = 0.5000 0.2775 0.4932 ( 1536 PWs) bands (ev): -6.6295 -6.6294 -5.6716 -5.6715 -3.3206 -3.3203 -1.1075 -1.1074 0.2815 0.2825 0.4429 0.4431 1.9049 1.9067 2.9787 2.9800 6.9817 6.9831 7.2750 7.2780 8.5434 8.5495 8.9853 8.9924 10.1114 10.1127 10.2604 10.2610 10.8566 10.8597 11.2037 11.2071 19.1554 19.1565 19.6710 19.6733 19.8914 19.8949 19.9795 19.9830 k = 0.5000 0.2886 0.4932 ( 1536 PWs) bands (ev): -6.5966 -6.5965 -5.6709 -5.6708 -3.2679 -3.2677 -1.0668 -1.0667 0.1647 0.1657 0.3674 0.3676 1.8071 1.8089 2.8615 2.8628 7.0927 7.0944 7.3684 7.3714 8.6194 8.6256 9.0225 9.0296 10.1293 10.1304 10.2776 10.2783 10.9202 10.9234 11.2761 11.2796 19.1051 19.1062 19.5921 19.5944 19.8899 19.8936 19.9673 19.9708 k = 0.5000 0.2997 0.4932 ( 1532 PWs) bands (ev): -6.5630 -6.5629 -5.6712 -5.6711 -3.2133 -3.2130 -1.0264 -1.0263 0.0502 0.0513 0.2961 0.2962 1.7131 1.7148 2.7458 2.7470 7.1999 7.2017 7.4578 7.4609 8.6903 8.6966 9.0567 9.0638 10.1480 10.1490 10.2951 10.2959 10.9857 10.9890 11.3471 11.3506 19.0548 19.0560 19.5135 19.5158 19.8881 19.8919 19.9554 19.9591 k = 0.5000 0.3108 0.4932 ( 1532 PWs) bands (ev): -6.5288 -6.5287 -5.6728 -5.6727 -3.1567 -3.1564 -0.9869 -0.9867 -0.0613 -0.0602 0.2290 0.2292 1.6232 1.6249 2.6316 2.6328 7.3029 7.3049 7.5430 7.5462 8.7561 8.7625 9.0880 9.0952 10.1674 10.1683 10.3128 10.3136 11.0525 11.0559 11.4160 11.4196 19.0050 19.0063 19.4357 19.4380 19.8859 19.8899 19.9437 19.9475 k = 0.5000 0.3219 0.4932 ( 1536 PWs) bands (ev): -6.4940 -6.4939 -5.6757 -5.6756 -3.0981 -3.0978 -0.9495 -0.9493 -0.1688 -0.1677 0.1663 0.1665 1.5377 1.5394 2.5191 2.5203 7.4014 7.4035 7.6237 7.6270 8.8171 8.8235 9.1166 9.1238 10.1876 10.1882 10.3304 10.3314 11.1203 11.1238 11.4826 11.4862 18.9560 18.9573 19.3591 19.3614 19.8832 19.8873 19.9322 19.9361 k = 0.5000 0.3330 0.4932 ( 1536 PWs) bands (ev): -6.4587 -6.4586 -5.6799 -5.6798 -3.0375 -3.0372 -0.9162 -0.9159 -0.2706 -0.2695 0.1079 0.1081 1.4570 1.4587 2.4085 2.4096 7.4950 7.4973 7.6998 7.7032 8.8733 8.8798 9.1428 9.1499 10.2084 10.2088 10.3481 10.3491 11.1886 11.1921 11.5463 11.5499 18.9082 18.9095 19.2841 19.2864 19.8802 19.8844 19.9211 19.9251 k = 0.5000 0.3441 0.4932 ( 1540 PWs) bands (ev): -6.4230 -6.4229 -5.6857 -5.6856 -2.9750 -2.9747 -0.8903 -0.8901 -0.3635 -0.3623 0.0540 0.0542 1.3814 1.3831 2.3000 2.3011 7.5837 7.5861 7.7712 7.7746 8.9251 8.9316 9.1665 9.1736 10.2297 10.2299 10.3654 10.3666 11.2568 11.2604 11.6066 11.6103 18.8620 18.8633 19.2111 19.2134 19.8768 19.8811 19.9103 19.9145 k = 0.5000 0.3552 0.4932 ( 1536 PWs) bands (ev): -6.3870 -6.3869 -5.6930 -5.6929 -2.9106 -2.9103 -0.8783 -0.8780 -0.4414 -0.4402 0.0044 0.0047 1.3114 1.3131 2.1936 2.1947 7.6672 7.6698 7.8377 7.8413 8.9726 8.9791 9.1880 9.1951 10.2514 10.2514 10.3824 10.3836 11.3245 11.3281 11.6633 11.6670 18.8177 18.8192 19.1405 19.1428 19.8731 19.8776 19.9001 19.9043 k = 0.5000 0.3663 0.4932 ( 1536 PWs) bands (ev): -6.3509 -6.3507 -5.7019 -5.7018 -2.8442 -2.8439 -0.8892 -0.8890 -0.4953 -0.4942 -0.0407 -0.0405 1.2475 1.2492 2.0897 2.0908 7.7451 7.7478 7.8992 7.9028 9.0159 9.0224 9.2073 9.2144 10.2732 10.2733 10.3987 10.4001 11.3910 11.3947 11.7158 11.7195 18.7759 18.7773 19.0726 19.0749 19.8692 19.8738 19.8903 19.8946 k = 0.5000 0.3774 0.4932 ( 1536 PWs) bands (ev): -6.3146 -6.3145 -5.7125 -5.7124 -2.7760 -2.7756 -0.9294 -0.9293 -0.5194 -0.5185 -0.0816 -0.0813 1.1903 1.1919 1.9884 1.9894 7.8174 7.8203 7.9557 7.9593 9.0553 9.0618 9.2245 9.2315 10.2950 10.2953 10.4143 10.4157 11.4559 11.4596 11.7638 11.7676 18.7367 18.7382 19.0077 19.0100 19.8650 19.8697 19.8810 19.8855 k = 0.5000 0.3885 0.4932 ( 1536 PWs) bands (ev): -6.2783 -6.2782 -5.7248 -5.7247 -2.7058 -2.7055 -0.9949 -0.9948 -0.5182 -0.5175 -0.1182 -0.1179 1.1402 1.1418 1.8899 1.8909 7.8839 7.8870 8.0069 8.0106 9.0910 9.0976 9.2396 9.2466 10.3167 10.3172 10.4288 10.4303 11.5187 11.5224 11.8071 11.8109 18.7006 18.7022 18.9462 18.9485 19.8607 19.8655 19.8724 19.8770 k = 0.5000 0.3996 0.4932 ( 1536 PWs) bands (ev): -6.2422 -6.2420 -5.7389 -5.7387 -2.6338 -2.6334 -1.0758 -1.0756 -0.5020 -0.5014 -0.1507 -0.1505 1.0978 1.0994 1.7944 1.7955 7.9447 7.9478 8.0529 8.0566 9.1233 9.1298 9.2528 9.2597 10.3381 10.3387 10.4422 10.4437 11.5789 11.5826 11.8454 11.8492 18.6680 18.6695 18.8883 18.8906 19.8563 19.8613 19.8645 19.8691 k = 0.5000 0.4107 0.4932 ( 1536 PWs) bands (ev): -6.2062 -6.2061 -5.7547 -5.7546 -2.5599 -2.5595 -1.1647 -1.1644 -0.4786 -0.4782 -0.1794 -0.1792 1.0638 1.0654 1.7023 1.7033 7.9995 8.0027 8.0937 8.0974 9.1522 9.1587 9.2640 9.2708 10.3589 10.3597 10.4540 10.4556 11.6359 11.6397 11.8784 11.8822 18.6390 18.6407 18.8344 18.8367 19.8520 19.8571 19.8574 19.8621 k = 0.5000 0.4217 0.4932 ( 1536 PWs) bands (ev): -6.1707 -6.1705 -5.7722 -5.7721 -2.4841 -2.4837 -1.2572 -1.2569 -0.4528 -0.4524 -0.2045 -0.2042 1.0387 1.0403 1.6138 1.6149 8.0483 8.0517 8.1291 8.1329 9.1780 9.1844 9.2732 9.2800 10.3789 10.3799 10.4642 10.4659 11.6895 11.6932 11.9059 11.9097 18.6142 18.6158 18.7848 18.7870 19.8479 19.8511 19.8530 19.8558 k = 0.5000 0.4328 0.4932 ( 1540 PWs) bands (ev): -6.1355 -6.1354 -5.7915 -5.7914 -2.4066 -2.4062 -1.3513 -1.3509 -0.4270 -0.4267 -0.2263 -0.2261 1.0231 1.0246 1.5293 1.5304 8.0912 8.0946 8.1591 8.1629 9.2007 9.2071 9.2805 9.2872 10.3978 10.3989 10.4726 10.4743 11.7390 11.7428 11.9278 11.9316 18.5936 18.5953 18.7395 18.7417 19.8439 19.8457 19.8492 19.8504 k = 0.5000 0.4439 0.4932 ( 1540 PWs) bands (ev): -6.1010 -6.1009 -5.8125 -5.8124 -2.3272 -2.3268 -1.4456 -1.4452 -0.4026 -0.4024 -0.2452 -0.2450 1.0171 1.0186 1.4492 1.4503 8.1282 8.1317 8.1838 8.1877 9.2206 9.2270 9.2858 9.2925 10.4154 10.4166 10.4789 10.4806 11.7843 11.7881 11.9439 11.9476 18.5776 18.5794 18.6990 18.7012 19.8402 19.8412 19.8456 19.8458 k = 0.5000 0.4550 0.4932 ( 1540 PWs) bands (ev): -6.0672 -6.0670 -5.8352 -5.8351 -2.2461 -2.2457 -1.5395 -1.5391 -0.3805 -0.3803 -0.2616 -0.2614 1.0212 1.0226 1.3740 1.3751 8.1593 8.1629 8.2032 8.2070 9.2378 9.2442 9.2891 9.2957 10.4314 10.4328 10.4830 10.4848 11.8249 11.8287 11.9540 11.9578 18.5664 18.5682 18.6634 18.6655 19.8368 19.8377 19.8421 19.8426 k = 0.5000 0.4661 0.4932 ( 1544 PWs) bands (ev): -6.0341 -6.0340 -5.8595 -5.8593 -2.1633 -2.1628 -1.6327 -1.6322 -0.3609 -0.3608 -0.2762 -0.2760 1.0351 1.0366 1.3042 1.3053 8.1845 8.1882 8.2170 8.2209 9.2524 9.2588 9.2904 9.2969 10.4457 10.4471 10.4848 10.4866 11.8605 11.8643 11.9583 11.9620 18.5601 18.5620 18.6328 18.6349 19.8341 19.8349 19.8393 19.8399 k = 0.5000 0.4772 0.4932 ( 1540 PWs) bands (ev): -6.0020 -6.0019 -5.8853 -5.8851 -2.0787 -2.0783 -1.7247 -1.7242 -0.3437 -0.3436 -0.2895 -0.2893 1.0588 1.0602 1.2404 1.2416 8.2040 8.2077 8.2255 8.2294 9.2645 9.2709 9.2896 9.2961 10.4579 10.4595 10.4843 10.4861 11.8910 11.8947 11.9565 11.9603 18.5590 18.5609 18.6075 18.6095 19.8322 19.8329 19.8374 19.8380 k = 0.5000 0.4883 0.4932 ( 1536 PWs) bands (ev): -5.9710 -5.9709 -5.9125 -5.9124 -1.9925 -1.9921 -1.8154 -1.8149 -0.3285 -0.3285 -0.3021 -0.3020 1.0918 1.0931 1.1833 1.1845 8.2178 8.2216 8.2285 8.2324 9.2743 9.2807 9.2867 9.2932 10.4681 10.4697 10.4813 10.4831 11.9160 11.9197 11.9489 11.9526 18.5632 18.5651 18.5874 18.5894 19.8312 19.8315 19.8364 19.8367 k = 0.5000 0.4994 0.4932 ( 1528 PWs) bands (ev): -5.9411 -5.9411 -5.9410 -5.9410 -1.9047 -1.9047 -1.9042 -1.9042 -0.3149 -0.3149 -0.3149 -0.3149 1.1335 1.1335 1.1348 1.1348 8.2261 8.2261 8.2299 8.2299 9.2817 9.2817 9.2881 9.2881 10.4759 10.4759 10.4776 10.4776 11.9353 11.9353 11.9391 11.9391 18.5726 18.5726 18.5746 18.5746 19.8310 19.8310 19.8362 19.8362 k = 0.5000 0.4994 0.4932 ( 1528 PWs) bands (ev): -5.9411 -5.9411 -5.9410 -5.9410 -1.9047 -1.9047 -1.9042 -1.9042 -0.3149 -0.3149 -0.3149 -0.3149 1.1335 1.1335 1.1348 1.1348 8.2261 8.2261 8.2299 8.2299 9.2817 9.2817 9.2881 9.2881 10.4759 10.4759 10.4776 10.4776 11.9353 11.9353 11.9391 11.9391 18.5726 18.5726 18.5746 18.5746 19.8310 19.8310 19.8362 19.8362 k = 0.4889 0.4994 0.4932 ( 1540 PWs) bands (ev): -5.9420 -5.9420 -5.9419 -5.9419 -1.9067 -1.9067 -1.9062 -1.9062 -0.3122 -0.3122 -0.3121 -0.3121 1.1375 1.1375 1.1388 1.1388 8.2253 8.2253 8.2291 8.2291 9.2780 9.2780 9.2845 9.2845 10.4735 10.4735 10.4752 10.4752 11.9339 11.9339 11.9377 11.9377 18.5749 18.5749 18.5769 18.5769 19.8319 19.8319 19.8370 19.8370 k = 0.4778 0.4994 0.4932 ( 1548 PWs) bands (ev): -5.9447 -5.9447 -5.9446 -5.9446 -1.9127 -1.9127 -1.9122 -1.9122 -0.3042 -0.3042 -0.3040 -0.3040 1.1493 1.1493 1.1506 1.1506 8.2230 8.2230 8.2269 8.2269 9.2673 9.2673 9.2738 9.2738 10.4663 10.4663 10.4680 10.4680 11.9298 11.9298 11.9335 11.9335 18.5818 18.5818 18.5838 18.5838 19.8345 19.8345 19.8397 19.8397 k = 0.4667 0.4994 0.4932 ( 1540 PWs) bands (ev): -5.9491 -5.9491 -5.9490 -5.9490 -1.9225 -1.9225 -1.9220 -1.9220 -0.2907 -0.2907 -0.2904 -0.2904 1.1689 1.1689 1.1702 1.1702 8.2194 8.2194 8.2232 8.2232 9.2498 9.2498 9.2563 9.2563 10.4545 10.4545 10.4562 10.4562 11.9230 11.9230 11.9267 11.9267 18.5933 18.5933 18.5953 18.5953 19.8390 19.8390 19.8442 19.8442 k = 0.4556 0.4994 0.4932 ( 1540 PWs) bands (ev): -5.9553 -5.9553 -5.9552 -5.9552 -1.9361 -1.9361 -1.9355 -1.9355 -0.2719 -0.2719 -0.2715 -0.2715 1.1961 1.1961 1.1973 1.1973 8.2141 8.2141 8.2180 8.2180 9.2253 9.2253 9.2319 9.2319 10.4379 10.4379 10.4396 10.4396 11.9136 11.9136 11.9173 11.9173 18.6090 18.6090 18.6111 18.6111 19.8453 19.8453 19.8505 19.8505 k = 0.4444 0.4994 0.4932 ( 1540 PWs) bands (ev): -5.9631 -5.9631 -5.9630 -5.9630 -1.9531 -1.9531 -1.9526 -1.9526 -0.2477 -0.2477 -0.2472 -0.2472 1.2305 1.2305 1.2318 1.2318 8.2071 8.2071 8.2111 8.2111 9.1944 9.1944 9.2010 9.2010 10.4164 10.4164 10.4181 10.4181 11.9018 11.9018 11.9054 11.9054 18.6290 18.6290 18.6310 18.6310 19.8535 19.8535 19.8586 19.8586 k = 0.4333 0.4994 0.4932 ( 1540 PWs) bands (ev): -5.9726 -5.9726 -5.9724 -5.9724 -1.9734 -1.9734 -1.9728 -1.9728 -0.2182 -0.2182 -0.2176 -0.2176 1.2720 1.2720 1.2733 1.2733 8.1981 8.1981 8.2023 8.2023 9.1572 9.1572 9.1639 9.1639 10.3901 10.3901 10.3918 10.3918 11.8877 11.8877 11.8913 11.8913 18.6528 18.6528 18.6548 18.6548 19.8635 19.8635 19.8687 19.8687 k = 0.4222 0.4994 0.4932 ( 1536 PWs) bands (ev): -5.9835 -5.9835 -5.9834 -5.9834 -1.9966 -1.9966 -1.9961 -1.9961 -0.1835 -0.1835 -0.1828 -0.1828 1.3203 1.3203 1.3215 1.3215 8.1871 8.1871 8.1914 8.1914 9.1144 9.1144 9.1211 9.1211 10.3589 10.3589 10.3606 10.3606 11.8716 11.8716 11.8752 11.8752 18.6801 18.6801 18.6822 18.6822 19.8756 19.8756 19.8807 19.8807 k = 0.4111 0.4994 0.4932 ( 1536 PWs) bands (ev): -5.9959 -5.9959 -5.9958 -5.9958 -2.0226 -2.0226 -2.0220 -2.0220 -0.1435 -0.1435 -0.1427 -0.1427 1.3748 1.3748 1.3761 1.3761 8.1735 8.1735 8.1780 8.1780 9.0663 9.0663 9.0731 9.0731 10.3227 10.3227 10.3244 10.3244 11.8537 11.8537 11.8572 11.8572 18.7107 18.7107 18.7127 18.7127 19.8897 19.8897 19.8948 19.8948 k = 0.4000 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.0097 -6.0097 -6.0095 -6.0095 -2.0508 -2.0508 -2.0502 -2.0502 -0.0984 -0.0984 -0.0976 -0.0976 1.4353 1.4353 1.4366 1.4366 8.1570 8.1570 8.1616 8.1616 9.0137 9.0137 9.0206 9.0206 10.2816 10.2816 10.2833 10.2833 11.8342 11.8342 11.8376 11.8376 18.7439 18.7439 18.7460 18.7460 19.9059 19.9059 19.9110 19.9110 k = 0.3889 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.0247 -6.0247 -6.0245 -6.0245 -2.0811 -2.0811 -2.0805 -2.0805 -0.0483 -0.0483 -0.0475 -0.0475 1.5015 1.5015 1.5027 1.5027 8.1370 8.1370 8.1418 8.1418 8.9574 8.9574 8.9644 8.9644 10.2355 10.2355 10.2372 10.2372 11.8134 11.8134 11.8167 11.8167 18.7795 18.7795 18.7816 18.7816 19.9244 19.9244 19.9295 19.9295 k = 0.3778 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.0408 -6.0408 -6.0406 -6.0406 -2.1131 -2.1131 -2.1125 -2.1125 0.0067 0.0067 0.0076 0.0076 1.5729 1.5729 1.5741 1.5741 8.1128 8.1128 8.1177 8.1177 8.8985 8.8985 8.9056 8.9056 10.1844 10.1844 10.1860 10.1860 11.7915 11.7915 11.7948 11.7948 18.8169 18.8169 18.8190 18.8190 19.9452 19.9452 19.9502 19.9502 k = 0.3667 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.0579 -6.0579 -6.0577 -6.0577 -2.1464 -2.1464 -2.1458 -2.1458 0.0665 0.0665 0.0674 0.0674 1.6492 1.6492 1.6504 1.6504 8.0834 8.0834 8.0885 8.0885 8.8381 8.8381 8.8454 8.8454 10.1283 10.1283 10.1299 10.1299 11.7689 11.7689 11.7721 11.7721 18.8556 18.8556 18.8577 18.8577 19.9685 19.9685 19.9735 19.9735 k = 0.3556 0.4994 0.4932 ( 1532 PWs) bands (ev): -6.0759 -6.0759 -6.0757 -6.0757 -2.1809 -2.1809 -2.1803 -2.1803 0.1310 0.1310 0.1320 0.1320 1.7301 1.7301 1.7313 1.7313 8.0479 8.0479 8.0530 8.0530 8.7778 8.7778 8.7850 8.7850 10.0672 10.0672 10.0688 10.0688 11.7456 11.7456 11.7488 11.7488 18.8950 18.8950 18.8972 18.8972 19.9945 19.9945 19.9994 19.9994 k = 0.3444 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.0946 -6.0946 -6.0945 -6.0945 -2.2162 -2.2162 -2.2156 -2.2156 0.2000 0.2000 0.2010 0.2010 1.8152 1.8152 1.8165 1.8165 8.0049 8.0049 8.0101 8.0101 8.7188 8.7188 8.7260 8.7260 10.0012 10.0012 10.0028 10.0028 11.7221 11.7221 11.7251 11.7251 18.9347 18.9347 18.9368 18.9368 20.0231 20.0231 20.0279 20.0279 k = 0.3333 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.1140 -6.1140 -6.1139 -6.1139 -2.2521 -2.2521 -2.2515 -2.2515 0.2735 0.2735 0.2745 0.2745 1.9043 1.9043 1.9056 1.9056 7.9535 7.9535 7.9586 7.9586 8.6628 8.6628 8.6698 8.6698 9.9304 9.9304 9.9319 9.9319 11.6984 11.6984 11.7013 11.7013 18.9740 18.9740 18.9760 18.9760 20.0545 20.0545 20.0592 20.0592 k = 0.3222 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.1340 -6.1340 -6.1338 -6.1338 -2.2883 -2.2883 -2.2877 -2.2877 0.3511 0.3511 0.3522 0.3522 1.9971 1.9971 1.9983 1.9983 7.8928 7.8928 7.8977 7.8977 8.6109 8.6109 8.6177 8.6177 9.8549 9.8549 9.8564 9.8564 11.6748 11.6748 11.6776 11.6776 19.0125 19.0125 19.0145 19.0145 20.0888 20.0888 20.0933 20.0933 k = 0.3111 0.4994 0.4932 ( 1532 PWs) bands (ev): -6.1543 -6.1543 -6.1542 -6.1542 -2.3247 -2.3247 -2.3241 -2.3241 0.4329 0.4329 0.4340 0.4340 2.0932 2.0932 2.0945 2.0945 7.8222 7.8222 7.8269 7.8269 8.5639 8.5639 8.5703 8.5703 9.7749 9.7749 9.7764 9.7764 11.6515 11.6515 11.6542 11.6542 19.0498 19.0498 19.0518 19.0518 20.1259 20.1259 20.1303 20.1303 k = 0.3000 0.4994 0.4932 ( 1532 PWs) bands (ev): -6.1750 -6.1750 -6.1748 -6.1748 -2.3609 -2.3609 -2.3604 -2.3604 0.5187 0.5187 0.5197 0.5197 2.1926 2.1926 2.1938 2.1938 7.7419 7.7419 7.7461 7.7461 8.5220 8.5220 8.5279 8.5279 9.6906 9.6906 9.6922 9.6922 11.6285 11.6285 11.6311 11.6311 19.0855 19.0855 19.0873 19.0873 20.1658 20.1658 20.1700 20.1700 k = 0.2889 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.1958 -6.1958 -6.1957 -6.1957 -2.3970 -2.3970 -2.3964 -2.3964 0.6083 0.6083 0.6093 0.6093 2.2948 2.2948 2.2960 2.2960 7.6522 7.6522 7.6560 7.6560 8.4848 8.4848 8.4902 8.4902 9.6023 9.6023 9.6039 9.6039 11.6060 11.6060 11.6084 11.6084 19.1191 19.1191 19.1209 19.1209 20.2082 20.2082 20.2123 20.2123 k = 0.2778 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.2167 -6.2167 -6.2166 -6.2166 -2.4326 -2.4326 -2.4320 -2.4320 0.7016 0.7016 0.7026 0.7026 2.3997 2.3997 2.4009 2.4009 7.5541 7.5541 7.5575 7.5575 8.4518 8.4518 8.4567 8.4567 9.5104 9.5104 9.5120 9.5120 11.5840 11.5840 11.5864 11.5864 19.1506 19.1506 19.1523 19.1523 20.2530 20.2530 20.2569 20.2569 k = 0.2667 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.2376 -6.2376 -6.2375 -6.2375 -2.4676 -2.4676 -2.4671 -2.4671 0.7984 0.7984 0.7994 0.7994 2.5070 2.5070 2.5083 2.5083 7.4485 7.4485 7.4515 7.4515 8.4220 8.4220 8.4264 8.4264 9.4151 9.4151 9.4168 9.4168 11.5627 11.5627 11.5650 11.5650 19.1798 19.1798 19.1813 19.1813 20.2997 20.2997 20.3035 20.3035 k = 0.2556 0.4994 0.4932 ( 1544 PWs) bands (ev): -6.2583 -6.2583 -6.2582 -6.2582 -2.5019 -2.5019 -2.5014 -2.5014 0.8986 0.8986 0.8996 0.8996 2.6165 2.6165 2.6178 2.6178 7.3364 7.3364 7.3391 7.3391 8.3946 8.3946 8.3985 8.3985 9.3171 9.3171 9.3189 9.3189 11.5421 11.5421 11.5443 11.5443 19.2065 19.2065 19.2079 19.2079 20.3478 20.3478 20.3515 20.3515 k = 0.2444 0.4994 0.4932 ( 1544 PWs) bands (ev): -6.2788 -6.2788 -6.2787 -6.2787 -2.5354 -2.5354 -2.5349 -2.5349 1.0020 1.0020 1.0030 1.0030 2.7280 2.7280 2.7293 2.7293 7.2188 7.2188 7.2211 7.2211 8.3687 8.3687 8.3721 8.3721 9.2169 9.2169 9.2188 9.2188 11.5223 11.5223 11.5244 11.5244 19.2309 19.2309 19.2321 19.2321 20.3970 20.3970 20.4004 20.4004 k = 0.2333 0.4994 0.4932 ( 1544 PWs) bands (ev): -6.2990 -6.2990 -6.2989 -6.2989 -2.5680 -2.5680 -2.5675 -2.5675 1.1086 1.1086 1.1096 1.1096 2.8413 2.8413 2.8426 2.8426 7.0964 7.0964 7.0985 7.0985 8.3431 8.3431 8.3461 8.3461 9.1154 9.1154 9.1174 9.1174 11.5033 11.5033 11.5053 11.5053 19.2529 19.2529 19.2540 19.2540 20.4463 20.4463 20.4497 20.4497 k = 0.2222 0.4994 0.4932 ( 1544 PWs) bands (ev): -6.3188 -6.3188 -6.3187 -6.3187 -2.5996 -2.5996 -2.5991 -2.5991 1.2182 1.2182 1.2192 1.2192 2.9560 2.9560 2.9573 2.9573 6.9701 6.9701 6.9719 6.9719 8.3167 8.3167 8.3193 8.3193 9.0135 9.0135 9.0158 9.0158 11.4851 11.4851 11.4870 11.4870 19.2726 19.2726 19.2737 19.2737 20.4951 20.4951 20.4984 20.4984 k = 0.2111 0.4994 0.4932 ( 1540 PWs) bands (ev): -6.3381 -6.3381 -6.3380 -6.3380 -2.6301 -2.6301 -2.6296 -2.6296 1.3307 1.3307 1.3317 1.3317 3.0720 3.0720 3.0733 3.0733 6.8405 6.8405 6.8421 6.8421 8.2880 8.2880 8.2903 8.2903 8.9129 8.9129 8.9155 8.9155 11.4677 11.4677 11.4695 11.4695 19.2903 19.2903 19.2912 19.2912 20.5426 20.5426 20.5459 20.5459 k = 0.2000 0.4994 0.4932 ( 1532 PWs) bands (ev): -6.3568 -6.3568 -6.3567 -6.3567 -2.6593 -2.6593 -2.6588 -2.6588 1.4458 1.4458 1.4468 1.4468 3.1889 3.1889 3.1902 3.1902 6.7083 6.7083 6.7097 6.7097 8.2549 8.2549 8.2570 8.2570 8.8155 8.8155 8.8184 8.8184 11.4512 11.4512 11.4529 11.4529 19.3060 19.3060 19.3068 19.3068 20.5880 20.5880 20.5913 20.5913 k = 0.1889 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.3749 -6.3749 -6.3748 -6.3748 -2.6873 -2.6873 -2.6869 -2.6869 1.5636 1.5636 1.5646 1.5646 3.3063 3.3063 3.3077 3.3077 6.5739 6.5739 6.5752 6.5752 8.2147 8.2147 8.2167 8.2167 8.7242 8.7242 8.7275 8.7275 11.4355 11.4355 11.4372 11.4372 19.3199 19.3199 19.3206 19.3206 20.6302 20.6302 20.6335 20.6335 k = 0.1778 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.3923 -6.3923 -6.3922 -6.3922 -2.7140 -2.7140 -2.7135 -2.7135 1.6837 1.6837 1.6847 1.6847 3.4238 3.4238 3.4252 3.4252 6.4380 6.4380 6.4392 6.4392 8.1644 8.1644 8.1663 8.1663 8.6424 8.6424 8.6461 8.6461 11.4207 11.4207 11.4223 11.4223 19.3321 19.3321 19.3327 19.3327 20.6686 20.6686 20.6719 20.6719 k = 0.1667 0.4994 0.4932 ( 1540 PWs) bands (ev): -6.4090 -6.4090 -6.4089 -6.4089 -2.7393 -2.7393 -2.7389 -2.7389 1.8063 1.8063 1.8073 1.8073 3.5410 3.5410 3.5425 3.5425 6.3011 6.3011 6.3023 6.3023 8.1010 8.1010 8.1030 8.1030 8.5732 8.5732 8.5771 8.5771 11.4068 11.4068 11.4084 11.4084 19.3428 19.3428 19.3433 19.3433 20.7023 20.7023 20.7058 20.7058 k = 0.1556 0.4994 0.4932 ( 1540 PWs) bands (ev): -6.4248 -6.4248 -6.4247 -6.4247 -2.7632 -2.7632 -2.7627 -2.7627 1.9309 1.9309 1.9319 1.9319 3.6572 3.6572 3.6587 3.6587 6.1641 6.1641 6.1652 6.1652 8.0238 8.0238 8.0257 8.0257 8.5179 8.5179 8.5220 8.5220 11.3937 11.3937 11.3953 11.3953 19.3522 19.3522 19.3526 19.3526 20.7312 20.7312 20.7347 20.7347 k = 0.1444 0.4994 0.4932 ( 1540 PWs) bands (ev): -6.4397 -6.4397 -6.4396 -6.4396 -2.7856 -2.7856 -2.7852 -2.7852 2.0577 2.0577 2.0587 2.0587 3.7716 3.7716 3.7731 3.7731 6.0276 6.0276 6.0287 6.0287 7.9341 7.9341 7.9359 7.9359 8.4755 8.4755 8.4795 8.4795 11.3816 11.3816 11.3830 11.3830 19.3603 19.3603 19.3607 19.3607 20.7549 20.7549 20.7584 20.7584 k = 0.1333 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.4537 -6.4537 -6.4536 -6.4536 -2.8065 -2.8065 -2.8061 -2.8061 2.1863 2.1863 2.1873 2.1873 3.8830 3.8830 3.8845 3.8845 5.8927 5.8927 5.8939 5.8939 7.8349 7.8349 7.8366 7.8366 8.4435 8.4435 8.4473 8.4473 11.3703 11.3703 11.3717 11.3717 19.3674 19.3674 19.3677 19.3677 20.7737 20.7737 20.7773 20.7773 k = 0.1222 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.4668 -6.4668 -6.4667 -6.4667 -2.8258 -2.8258 -2.8254 -2.8254 2.3166 2.3166 2.3176 2.3176 3.9898 3.9898 3.9914 3.9914 5.7608 5.7608 5.7620 5.7620 7.7294 7.7294 7.7309 7.7309 8.4190 8.4190 8.4227 8.4227 11.3599 11.3599 11.3613 11.3613 19.3735 19.3735 19.3737 19.3737 20.7880 20.7880 20.7916 20.7916 k = 0.1111 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.4789 -6.4789 -6.4787 -6.4787 -2.8436 -2.8436 -2.8432 -2.8432 2.4484 2.4484 2.4494 2.4494 4.0898 4.0898 4.0914 4.0914 5.6338 5.6338 5.6351 5.6351 7.6203 7.6203 7.6217 7.6217 8.4000 8.4000 8.4035 8.4035 11.3504 11.3504 11.3518 11.3518 19.3787 19.3787 19.3789 19.3789 20.7985 20.7985 20.8021 20.8021 k = 0.1000 0.4994 0.4932 ( 1536 PWs) bands (ev): -6.4899 -6.4899 -6.4898 -6.4898 -2.8597 -2.8597 -2.8593 -2.8593 2.5815 2.5815 2.5826 2.5826 4.1795 4.1795 4.1812 4.1812 5.5147 5.5147 5.5162 5.5162 7.5100 7.5100 7.5113 7.5113 8.3850 8.3850 8.3884 8.3884 11.3418 11.3418 11.3431 11.3431 19.3832 19.3832 19.3833 19.3833 20.8059 20.8059 20.8095 20.8095 k = 0.0889 0.4994 0.4932 ( 1532 PWs) bands (ev): -6.4998 -6.4998 -6.4997 -6.4997 -2.8742 -2.8742 -2.8738 -2.8738 2.7158 2.7158 2.7168 2.7168 4.2539 4.2539 4.2557 4.2557 5.4079 5.4079 5.4097 5.4097 7.4005 7.4005 7.4017 7.4017 8.3730 8.3730 8.3763 8.3763 11.3341 11.3341 11.3354 11.3354 19.3870 19.3870 19.3871 19.3871 20.8108 20.8108 20.8144 20.8144 k = 0.0778 0.4994 0.4932 ( 1532 PWs) bands (ev): -6.5086 -6.5086 -6.5085 -6.5085 -2.8871 -2.8871 -2.8866 -2.8866 2.8508 2.8508 2.8519 2.8519 4.3059 4.3059 4.3077 4.3077 5.3197 5.3197 5.3218 5.3218 7.2937 7.2937 7.2948 7.2948 8.3634 8.3634 8.3665 8.3665 11.3273 11.3273 11.3286 11.3286 19.3901 19.3901 19.3903 19.3903 20.8138 20.8138 20.8174 20.8174 k = 0.0667 0.4994 0.4932 ( 1528 PWs) bands (ev): -6.5163 -6.5163 -6.5162 -6.5162 -2.8982 -2.8982 -2.8978 -2.8978 2.9863 2.9863 2.9873 2.9873 4.3270 4.3270 4.3290 4.3290 5.2573 5.2573 5.2598 5.2598 7.1916 7.1916 7.1928 7.1928 8.3556 8.3556 8.3586 8.3586 11.3214 11.3214 11.3226 11.3226 19.3927 19.3927 19.3929 19.3929 20.8155 20.8155 20.8191 20.8191 k = 0.0556 0.4994 0.4932 ( 1524 PWs) bands (ev): -6.5229 -6.5229 -6.5228 -6.5228 -2.9077 -2.9077 -2.9073 -2.9073 3.1216 3.1216 3.1227 3.1227 4.3116 4.3116 4.3135 4.3135 5.2252 5.2252 5.2281 5.2281 7.0967 7.0967 7.0979 7.0979 8.3493 8.3493 8.3523 8.3523 11.3164 11.3164 11.3176 11.3176 19.3949 19.3949 19.3950 19.3950 20.8164 20.8164 20.8199 20.8199 k = 0.0444 0.4994 0.4932 ( 1524 PWs) bands (ev): -6.5283 -6.5283 -6.5282 -6.5282 -2.9155 -2.9155 -2.9151 -2.9151 3.2559 3.2559 3.2570 3.2570 4.2606 4.2606 4.2625 4.2625 5.2207 5.2207 5.2239 5.2239 7.0117 7.0117 7.0129 7.0129 8.3445 8.3445 8.3474 8.3474 11.3123 11.3123 11.3135 11.3135 19.3966 19.3966 19.3967 19.3967 20.8166 20.8166 20.8201 20.8201 k = 0.0333 0.4994 0.4932 ( 1516 PWs) bands (ev): -6.5325 -6.5325 -6.5324 -6.5324 -2.9215 -2.9215 -2.9211 -2.9211 3.3878 3.3878 3.3889 3.3889 4.1824 4.1824 4.1841 4.1841 5.2340 5.2340 5.2373 5.2373 6.9398 6.9398 6.9411 6.9411 8.3409 8.3409 8.3438 8.3438 11.3092 11.3092 11.3103 11.3103 19.3979 19.3979 19.3980 19.3980 20.8165 20.8165 20.8201 20.8201 k = 0.0222 0.4994 0.4932 ( 1524 PWs) bands (ev): -6.5355 -6.5355 -6.5354 -6.5354 -2.9259 -2.9259 -2.9255 -2.9255 3.5139 3.5139 3.5150 3.5150 4.0884 4.0884 4.0900 4.0900 5.2532 5.2532 5.2567 5.2567 6.8846 6.8846 6.8861 6.8861 8.3383 8.3383 8.3411 8.3411 11.3069 11.3069 11.3080 11.3080 19.3987 19.3987 19.3989 19.3989 20.8163 20.8163 20.8198 20.8198 k = 0.0111 0.4994 0.4932 ( 1524 PWs) bands (ev): -6.5373 -6.5373 -6.5372 -6.5372 -2.9284 -2.9284 -2.9280 -2.9280 3.6240 3.6240 3.6249 3.6249 3.9954 3.9954 3.9968 3.9968 5.2689 5.2689 5.2724 5.2724 6.8498 6.8498 6.8512 6.8512 8.3368 8.3368 8.3396 8.3396 11.3055 11.3055 11.3067 11.3067 19.3992 19.3992 19.3994 19.3994 20.8162 20.8162 20.8197 20.8197 k = 0.0000 0.4994 0.4932 ( 1524 PWs) bands (ev): -6.5379 -6.5379 -6.5378 -6.5378 -2.9293 -2.9293 -2.9289 -2.9289 3.6783 3.6783 3.6787 3.6787 3.9467 3.9467 3.9479 3.9479 5.2748 5.2748 5.2784 5.2784 6.8378 6.8378 6.8393 6.8393 8.3363 8.3363 8.3391 8.3391 11.3051 11.3051 11.3062 11.3062 19.3994 19.3994 19.3996 19.3996 20.8161 20.8161 20.8196 20.8196 k = 0.0000 0.4994 0.4932 ( 1524 PWs) bands (ev): -6.5379 -6.5379 -6.5378 -6.5378 -2.9293 -2.9293 -2.9289 -2.9289 3.6783 3.6783 3.6787 3.6787 3.9467 3.9467 3.9479 3.9479 5.2748 5.2748 5.2784 5.2784 6.8378 6.8378 6.8393 6.8393 8.3363 8.3363 8.3391 8.3391 11.3051 11.3051 11.3062 11.3062 19.3994 19.3994 19.3996 19.3996 20.8161 20.8161 20.8196 20.8196 k = 0.0000 0.4883 0.4932 ( 1528 PWs) bands (ev): -6.5823 -6.5822 -6.4953 -6.4952 -2.9615 -2.9611 -2.8925 -2.8921 3.6067 3.6067 3.7287 3.7297 3.9039 3.9056 4.0117 4.0126 5.2417 5.2452 5.3049 5.3085 6.8219 6.8234 6.8608 6.8624 8.3267 8.3296 8.3399 8.3427 11.2939 11.2950 11.3128 11.3139 19.3901 19.3901 19.4100 19.4104 20.8043 20.8076 20.8313 20.8350 k = 0.0000 0.4772 0.4932 ( 1528 PWs) bands (ev): -6.6283 -6.6282 -6.4548 -6.4546 -2.9889 -2.9885 -2.8514 -2.8510 3.5285 3.5286 3.7243 3.7253 3.9174 3.9192 4.0843 4.0851 5.2060 5.2095 5.3318 5.3353 6.8137 6.8152 6.8905 6.8922 8.3115 8.3144 8.3378 8.3406 11.2793 11.2805 11.3170 11.3181 19.3820 19.3821 19.4221 19.4227 20.7942 20.7971 20.8511 20.8549 k = 0.0000 0.4661 0.4932 ( 1532 PWs) bands (ev): -6.6756 -6.6755 -6.4165 -6.4164 -3.0111 -3.0107 -2.8063 -2.8059 3.4478 3.4480 3.6769 3.6776 3.9751 3.9764 4.1608 4.1614 5.1682 5.1717 5.3553 5.3587 6.8136 6.8150 6.9260 6.9278 8.2905 8.2935 8.3300 8.3326 11.2615 11.2627 11.3176 11.3187 19.3752 19.3756 19.4357 19.4365 20.7826 20.7851 20.8759 20.8799 k = 0.0000 0.4550 0.4932 ( 1532 PWs) bands (ev): -6.7240 -6.7239 -6.3808 -6.3807 -3.0279 -3.0275 -2.7575 -2.7570 3.3659 3.3662 3.6180 3.6184 4.0446 4.0456 4.2397 4.2404 5.1289 5.1324 5.3756 5.3789 6.8216 6.8230 6.9668 6.9687 8.2638 8.2669 8.3165 8.3191 11.2406 11.2418 11.3147 11.3158 19.3700 19.3705 19.4510 19.4520 20.7652 20.7671 20.9061 20.9102 k = 0.0000 0.4439 0.4932 ( 1536 PWs) bands (ev): -6.7732 -6.7731 -6.3479 -6.3478 -3.0391 -3.0387 -2.7052 -2.7048 3.2835 3.2838 3.5571 3.5574 4.1158 4.1166 4.3205 4.3211 5.0888 5.0922 5.3933 5.3964 6.8378 6.8393 7.0122 7.0143 8.2316 8.2347 8.2973 8.2999 11.2167 11.2179 11.3082 11.3092 19.3664 19.3670 19.4680 19.4692 20.7358 20.7369 20.9416 20.9457 k = 0.0000 0.4328 0.4932 ( 1538 PWs) bands (ev): -6.8231 -6.8230 -6.3179 -6.3178 -3.0444 -3.0440 -2.6498 -2.6494 3.2008 3.2011 3.4968 3.4971 4.1856 4.1863 4.4024 4.4030 5.0487 5.0520 5.4091 5.4121 6.8620 6.8635 7.0617 7.0639 8.1939 8.1971 8.2726 8.2752 11.1900 11.1912 11.2981 11.2992 19.3645 19.3652 19.4871 19.4886 20.6883 20.6886 20.9823 20.9865 k = 0.0000 0.4217 0.4932 ( 1538 PWs) bands (ev): -6.8733 -6.8732 -6.2911 -6.2910 -3.0437 -3.0434 -2.5916 -2.5911 3.1181 3.1184 3.4382 3.4385 4.2524 4.2529 4.4846 4.4852 5.0096 5.0128 5.4243 5.4270 6.8936 6.8952 7.1148 7.1171 8.1508 8.1541 8.2425 8.2450 11.1606 11.1619 11.2847 11.2857 19.3645 19.3653 19.5084 19.5101 20.6198 20.6203 21.0277 21.0319 k = 0.0000 0.4107 0.4932 ( 1546 PWs) bands (ev): -6.9238 -6.9237 -6.2674 -6.2673 -3.0369 -3.0366 -2.5307 -2.5303 3.0355 3.0358 3.3817 3.3820 4.3149 4.3152 4.5657 4.5661 4.9733 4.9763 5.4401 5.4425 6.9322 6.9339 7.1708 7.1733 8.1025 8.1059 8.2071 8.2095 11.1289 11.1302 11.2678 11.2688 19.3664 19.3673 19.5319 19.5339 20.5324 20.5334 21.0772 21.0815 k = 0.0000 0.3996 0.4932 ( 1546 PWs) bands (ev): -6.9743 -6.9742 -6.2471 -6.2470 -3.0240 -3.0236 -2.4676 -2.4671 2.9531 2.9534 3.3276 3.3279 4.3717 4.3718 4.6421 4.6422 4.9438 4.9464 5.4581 5.4603 6.9770 6.9788 7.2292 7.2319 8.0493 8.0527 8.1665 8.1690 11.0949 11.0962 11.2477 11.2487 19.3703 19.3714 19.5578 19.5601 20.4305 20.4320 21.1302 21.1347 k = 0.0000 0.3885 0.4932 ( 1540 PWs) bands (ev): -7.0247 -7.0246 -6.2301 -6.2300 -3.0048 -3.0044 -2.4023 -2.4018 2.8710 2.8712 3.2762 3.2765 4.4217 4.4218 4.7037 4.7044 4.9309 4.9326 5.4800 5.4817 7.0273 7.0292 7.2896 7.2925 7.9914 7.9949 8.1212 8.1235 11.0588 11.0602 11.2244 11.2255 19.3765 19.3776 19.5860 19.5887 20.3183 20.3202 21.1855 21.1901 k = 0.0000 0.3774 0.4932 ( 1540 PWs) bands (ev): -7.0748 -7.0747 -6.2164 -6.2163 -2.9794 -2.9791 -2.3353 -2.3348 2.7891 2.7894 3.2276 3.2279 4.4639 4.4643 4.7325 4.7345 4.9528 4.9531 5.5069 5.5083 7.0822 7.0842 7.3513 7.3545 7.9292 7.9328 8.0711 8.0735 11.0209 11.0224 11.1982 11.1992 19.3846 19.3859 19.6162 19.6193 20.1992 20.2014 21.2400 21.2449 k = 0.0000 0.3663 0.4932 ( 1540 PWs) bands (ev): -7.1245 -7.1244 -6.2060 -6.2059 -2.9480 -2.9476 -2.2668 -2.2662 2.7076 2.7078 3.1819 3.1822 4.4977 4.4984 4.7261 4.7289 5.0118 5.0123 5.5402 5.5412 7.1409 7.1431 7.4135 7.4169 7.8634 7.8673 8.0168 8.0192 10.9814 10.9829 11.1691 11.1702 19.3948 19.3962 19.6472 19.6509 20.0763 20.0791 21.2830 21.2880 k = 0.0000 0.3552 0.4932 ( 1540 PWs) bands (ev): -7.1736 -7.1735 -6.1987 -6.1986 -2.9106 -2.9102 -2.1969 -2.1964 2.6264 2.6266 3.1393 3.1397 4.5228 4.5238 4.7021 4.7052 5.0909 5.0918 5.5804 5.5810 7.2024 7.2047 7.4742 7.4780 7.7959 7.7999 7.9589 7.9613 10.9404 10.9419 11.1374 11.1384 19.4067 19.4082 19.6752 19.6799 19.9550 19.9586 21.2725 21.2754 k = 0.0000 0.3441 0.4932 ( 1540 PWs) bands (ev): -7.2221 -7.2220 -6.1944 -6.1943 -2.8675 -2.8671 -2.1261 -2.1255 2.5455 2.5457 3.1000 3.1003 4.5395 4.5407 4.6720 4.6752 5.1790 5.1800 5.6277 5.6278 7.2655 7.2679 7.5279 7.5319 7.7323 7.7364 7.8983 7.9006 10.8981 10.8997 11.1032 11.1042 19.4202 19.4219 19.6819 19.6874 19.8552 19.8596 21.1983 21.1994 k = 0.0000 0.3330 0.4932 ( 1548 PWs) bands (ev): -7.2698 -7.2697 -6.1929 -6.1928 -2.8188 -2.8184 -2.0545 -2.0539 2.4650 2.4651 3.0640 3.0644 4.5483 4.5497 4.6401 4.6434 5.2714 5.2726 5.6813 5.6815 7.3281 7.3307 7.5505 7.5530 7.6982 7.7007 7.8367 7.8389 10.8546 10.8563 11.0668 11.0678 19.4347 19.4365 19.6170 19.6201 19.8311 19.8330 21.1025 21.1029 k = 0.0000 0.3219 0.4932 ( 1538 PWs) bands (ev): -7.3166 -7.3165 -6.1939 -6.1938 -2.7647 -2.7643 -1.9823 -1.9817 2.3847 2.3848 3.0315 3.0320 4.5503 4.5519 4.6085 4.6117 5.3665 5.3678 5.7407 5.7413 7.3867 7.3893 7.5083 7.5089 7.7260 7.7267 7.7777 7.7799 10.8104 10.8121 11.0282 11.0292 19.4497 19.4518 19.4994 19.5005 19.8609 19.8612 20.9991 20.9994 k = 0.0000 0.3108 0.4932 ( 1534 PWs) bands (ev): -7.3625 -7.3624 -6.1973 -6.1973 -2.7057 -2.7053 -1.9099 -1.9094 2.3047 2.3048 3.0028 3.0032 4.5463 4.5481 4.5777 4.5810 5.4635 5.4648 5.8049 5.8058 7.4322 7.4322 7.4344 7.4349 7.7300 7.7318 7.7813 7.7833 10.7653 10.7671 10.9877 10.9887 19.3680 19.3681 19.4645 19.4667 19.9047 19.9060 20.8927 20.8931 k = 0.0000 0.2997 0.4932 ( 1526 PWs) bands (ev): -7.4072 -7.4072 -6.2029 -6.2028 -2.6419 -2.6415 -1.8375 -1.8370 2.2250 2.2251 2.9778 2.9782 4.5376 4.5395 4.5486 4.5517 5.5617 5.5631 5.8727 5.8738 7.3461 7.3485 7.4475 7.4490 7.7125 7.7133 7.8439 7.8466 10.7197 10.7216 10.9456 10.9466 19.2323 19.2326 19.4775 19.4800 19.9553 19.9570 20.7866 20.7871 k = 0.0000 0.2886 0.4932 ( 1526 PWs) bands (ev): -7.4509 -7.4509 -6.2103 -6.2102 -2.5736 -2.5732 -1.7655 -1.7649 2.1455 2.1455 2.9567 2.9572 4.5206 4.5238 4.5255 4.5275 5.6610 5.6625 5.9428 5.9441 7.2550 7.2576 7.4191 7.4195 7.7368 7.7374 7.9084 7.9116 10.6737 10.6757 10.9019 10.9029 19.0954 19.0959 19.4873 19.4900 20.0101 20.0122 20.6833 20.6840 k = 0.0000 0.2775 0.4932 ( 1530 PWs) bands (ev): -7.4934 -7.4933 -6.2194 -6.2193 -2.5012 -2.5008 -1.6939 -1.6933 2.0661 2.0661 2.9397 2.9402 4.4954 4.4986 4.5098 4.5119 5.7612 5.7627 6.0135 6.0152 7.1604 7.1632 7.3615 7.3618 7.7885 7.7900 7.9732 7.9767 10.6275 10.6296 10.8569 10.8580 18.9585 18.9592 19.4915 19.4945 20.0682 20.0707 20.5861 20.5871 k = 0.0000 0.2664 0.4932 ( 1530 PWs) bands (ev): -7.5346 -7.5345 -6.2298 -6.2297 -2.4250 -2.4246 -1.6232 -1.6226 1.9868 1.9868 2.9270 2.9274 4.4722 4.4754 4.4922 4.4944 5.8619 5.8635 6.0832 6.0851 7.0633 7.0662 7.2920 7.2926 7.8526 7.8546 8.0373 8.0411 10.5813 10.5835 10.8109 10.8120 18.8225 18.8232 19.4873 19.4907 20.1293 20.1320 20.4985 20.4999 k = 0.0000 0.2553 0.4932 ( 1534 PWs) bands (ev): -7.5745 -7.5744 -6.2414 -6.2413 -2.3453 -2.3449 -1.5535 -1.5529 1.9076 1.9076 2.9186 2.9190 4.4513 4.4545 4.4731 4.4754 5.9632 5.9649 6.1495 6.1516 6.9640 6.9670 7.2195 7.2203 7.9217 7.9240 8.1002 8.1043 10.5353 10.5376 10.7640 10.7651 18.6876 18.6885 19.4717 19.4753 20.1929 20.1958 20.4243 20.4259 k = 0.0000 0.2442 0.4932 ( 1534 PWs) bands (ev): -7.6130 -7.6129 -6.2539 -6.2538 -2.2623 -2.2619 -1.4852 -1.4845 1.8283 1.8284 2.9146 2.9151 4.4330 4.4361 4.4531 4.4554 6.0648 6.0666 6.2089 6.2113 6.8632 6.8662 7.1501 7.1508 7.9926 7.9952 8.1614 8.1657 10.4896 10.4921 10.7165 10.7177 18.5547 18.5556 19.4417 19.4455 20.2588 20.2619 20.3668 20.3686 k = 0.0000 0.2331 0.4932 ( 1530 PWs) bands (ev): -7.6500 -7.6500 -6.2671 -6.2670 -2.1764 -2.1759 -1.4184 -1.4178 1.7490 1.7491 2.9153 2.9158 4.4172 4.4204 4.4326 4.4350 6.1666 6.1684 6.2567 6.2594 6.7611 6.7642 7.0894 7.0901 8.0637 8.0665 8.2202 8.2248 10.4446 10.4472 10.6686 10.6698 18.4240 18.4249 19.3958 19.3997 20.3257 20.3292 20.3298 20.3302 k = 0.0000 0.2220 0.4932 ( 1532 PWs) bands (ev): -7.6856 -7.6856 -6.2808 -6.2808 -2.0878 -2.0873 -1.3535 -1.3529 1.6695 1.6696 2.9206 2.9211 4.4042 4.4073 4.4121 4.4145 6.2684 6.2704 6.2864 6.2893 6.6581 6.6612 7.0446 7.0451 8.1339 8.1369 8.2764 8.2812 10.4005 10.4032 10.6206 10.6218 18.2959 18.2968 19.3344 19.3383 20.3078 20.3097 20.3965 20.3998 k = 0.0000 0.2109 0.4932 ( 1528 PWs) bands (ev): -7.7197 -7.7196 -6.2949 -6.2948 -1.9968 -1.9963 -1.2906 -1.2900 1.5898 1.5900 2.9307 2.9312 4.3911 4.3937 4.3946 4.3977 6.2907 6.2939 6.3704 6.3724 6.5547 6.5578 7.0227 7.0232 8.2025 8.2057 8.3293 8.3344 10.3576 10.3605 10.5727 10.5739 18.1708 18.1717 19.2600 19.2637 20.3039 20.3057 20.4676 20.4710 k = 0.0000 0.1998 0.4932 ( 1528 PWs) bands (ev): -7.7522 -7.7522 -6.3091 -6.3090 -1.9037 -1.9032 -1.2301 -1.2295 1.5098 1.5100 2.9456 2.9461 4.3716 4.3741 4.3871 4.3903 6.2663 6.2696 6.4509 6.4541 6.4721 6.4742 7.0276 7.0282 8.2688 8.2721 8.3784 8.3837 10.3162 10.3192 10.5252 10.5265 18.0491 18.0500 19.1758 19.1793 20.3131 20.3147 20.5400 20.5435 k = 0.0000 0.1887 0.4932 ( 1528 PWs) bands (ev): -7.7831 -7.7831 -6.3232 -6.3232 -1.8087 -1.8083 -1.1721 -1.1715 1.4295 1.4297 2.9653 2.9657 4.3525 4.3552 4.3829 4.3861 6.2153 6.2186 6.3475 6.3507 6.5734 6.5756 7.0573 7.0581 8.3320 8.3355 8.4232 8.4287 10.2767 10.2798 10.4785 10.4799 17.9312 17.9321 19.0853 19.0885 20.3322 20.3336 20.6132 20.6168 k = 0.0000 0.1776 0.4932 ( 1528 PWs) bands (ev): -7.8125 -7.8124 -6.3373 -6.3372 -1.7121 -1.7116 -1.1168 -1.1162 1.3487 1.3489 2.9898 2.9902 4.3345 4.3372 4.3819 4.3851 6.1437 6.1469 6.2445 6.2477 6.6742 6.6765 7.1059 7.1069 8.3917 8.3953 8.4629 8.4687 10.2394 10.2425 10.4329 10.4344 17.8174 17.8183 18.9914 18.9943 20.3583 20.3595 20.6871 20.6908 k = 0.0000 0.1665 0.4932 ( 1528 PWs) bands (ev): -7.8401 -7.8401 -6.3510 -6.3510 -1.6141 -1.6137 -1.0645 -1.0639 1.2674 1.2677 3.0190 3.0193 4.3178 4.3206 4.3841 4.3872 6.0578 6.0609 6.1423 6.1455 6.7744 6.7768 7.1671 7.1683 8.4470 8.4508 8.4972 8.5031 10.2046 10.2079 10.3888 10.3903 17.7080 17.7089 18.8962 18.8989 20.3892 20.3902 20.7613 20.7651 k = 0.0000 0.1554 0.4932 ( 1524 PWs) bands (ev): -7.8661 -7.8661 -6.3644 -6.3643 -1.5151 -1.5145 -1.0151 -1.0146 1.1855 1.1858 3.0526 3.0529 4.3026 4.3054 4.3895 4.3927 5.9623 5.9655 6.0412 6.0445 6.8739 6.8764 7.2363 7.2377 8.4974 8.5014 8.5253 8.5314 10.1728 10.1762 10.3466 10.3482 17.6036 17.6044 18.8017 18.8042 20.4232 20.4240 20.8356 20.8395 k = 0.0000 0.1443 0.4932 ( 1528 PWs) bands (ev): -7.8904 -7.8904 -6.3772 -6.3772 -1.4151 -1.4145 -0.9690 -0.9685 1.1030 1.1033 3.0905 3.0907 4.2891 4.2921 4.3983 4.4015 5.8606 5.8637 5.9416 5.9448 6.9724 6.9750 7.3103 7.3118 8.5421 8.5463 8.5469 8.5529 10.1443 10.1477 10.3068 10.3084 17.5043 17.5051 18.7093 18.7116 20.4587 20.4593 20.9095 20.9134 k = 0.0000 0.1332 0.4932 ( 1528 PWs) bands (ev): -7.9130 -7.9130 -6.3895 -6.3894 -1.3144 -1.3139 -0.9262 -0.9257 1.0198 1.0201 3.1324 3.1325 4.2778 4.2810 4.4105 4.4137 5.7548 5.7579 5.8436 5.8468 7.0698 7.0725 7.3871 7.3887 8.5609 8.5673 8.5811 8.5852 10.1193 10.1227 10.2697 10.2713 17.4106 17.4113 18.6201 18.6222 20.4946 20.4952 20.9828 20.9867 k = 0.0000 0.1221 0.4932 ( 1528 PWs) bands (ev): -7.9338 -7.9338 -6.4010 -6.4010 -1.2133 -1.2127 -0.8867 -0.8862 0.9359 0.9362 3.1777 3.1777 4.2690 4.2723 4.4262 4.4294 5.6465 5.6496 5.7476 5.7509 7.1658 7.1686 7.4649 7.4667 8.5677 8.5741 8.6131 8.6172 10.0981 10.1014 10.2357 10.2373 17.3228 17.3235 18.5351 18.5370 20.5301 20.5305 21.0551 21.0590 k = 0.0000 0.1110 0.4932 ( 1528 PWs) bands (ev): -7.9529 -7.9529 -6.4118 -6.4118 -1.1119 -1.1114 -0.8507 -0.8502 0.8512 0.8516 3.2259 3.2259 4.2631 4.2665 4.4454 4.4486 5.5368 5.5400 5.6539 5.6572 7.2603 7.2632 7.5429 7.5448 8.5668 8.5732 8.6379 8.6421 10.0806 10.0838 10.2052 10.2068 17.2412 17.2419 18.4551 18.4568 20.5643 20.5646 21.1259 21.1299 k = 0.0000 0.0999 0.4932 ( 1522 PWs) bands (ev): -7.9702 -7.9702 -6.4217 -6.4217 -1.0107 -1.0101 -0.8181 -0.8177 0.7658 0.7662 3.2761 3.2763 4.2606 4.2642 4.4682 4.4714 5.4268 5.4300 5.5628 5.5661 7.3531 7.3561 7.6201 7.6220 8.5583 8.5646 8.6554 8.6596 10.0667 10.0698 10.1785 10.1801 17.1663 17.1669 18.3808 18.3823 20.5966 20.5968 21.1950 21.1989 k = 0.0000 0.0888 0.4932 ( 1518 PWs) bands (ev): -7.9857 -7.9857 -6.4308 -6.4307 -0.9097 -0.9092 -0.7890 -0.7887 0.6797 0.6801 3.3275 3.3278 4.2622 4.2660 4.4945 4.4977 5.3173 5.3205 5.4746 5.4778 7.4437 7.4468 7.6955 7.6976 8.5422 8.5484 8.6655 8.6696 10.0562 10.0591 10.1556 10.1572 17.0983 17.0989 18.3127 18.3140 20.6264 20.6265 21.2616 21.2655 k = 0.0000 0.0777 0.4932 ( 1514 PWs) bands (ev): -7.9994 -7.9994 -6.4389 -6.4388 -0.8094 -0.8088 -0.7634 -0.7631 0.5930 0.5934 3.3787 3.3792 4.2688 4.2727 4.5244 4.5275 5.2089 5.2122 5.3895 5.3927 7.5318 7.5350 7.7684 7.7705 8.5191 8.5251 8.6682 8.6723 10.0487 10.0513 10.1366 10.1381 17.0375 17.0380 18.2514 18.2525 20.6534 20.6534 21.3255 21.3292 k = 0.0000 0.0666 0.4932 ( 1516 PWs) bands (ev): -8.0113 -8.0113 -6.4460 -6.4460 -0.7413 -0.7410 -0.7101 -0.7096 0.5059 0.5063 3.4284 3.4289 4.2813 4.2854 4.5576 4.5607 5.1024 5.1058 5.3078 5.3110 7.6169 7.6202 7.8378 7.8399 8.4896 8.4953 8.6644 8.6682 10.0437 10.0460 10.1213 10.1226 16.9841 16.9846 18.1973 18.1983 20.6771 20.6771 21.3857 21.3892 k = 0.0000 0.0555 0.4932 ( 1516 PWs) bands (ev): -8.0214 -8.0214 -6.4521 -6.4520 -0.7226 -0.7224 -0.6124 -0.6119 0.4188 0.4193 3.4748 3.4754 4.3008 4.3050 4.5940 4.5971 4.9988 5.0023 5.2301 5.2333 7.6984 7.7017 7.9025 7.9046 8.4546 8.4600 8.6550 8.6585 10.0407 10.0426 10.1094 10.1105 16.9385 16.9389 18.1509 18.1517 20.6973 20.6973 21.4414 21.4447 k = 0.0000 0.0444 0.4932 ( 1516 PWs) bands (ev): -8.0297 -8.0297 -6.4571 -6.4571 -0.7074 -0.7072 -0.5173 -0.5168 0.3326 0.3331 3.5161 3.5167 4.3284 4.3327 4.6331 4.6361 4.8990 4.9026 5.1570 5.1600 7.7750 7.7784 7.9611 7.9630 8.4156 8.4206 8.6416 8.6447 10.0391 10.0407 10.1005 10.1014 16.9009 16.9012 18.1124 18.1130 20.7140 20.7140 21.4914 21.4944 k = 0.0000 0.0333 0.4932 ( 1514 PWs) bands (ev): -8.0361 -8.0361 -6.4610 -6.4610 -0.6956 -0.6954 -0.4264 -0.4259 0.2488 0.2493 3.5504 3.5509 4.3648 4.3691 4.6740 4.6770 4.8042 4.8079 5.0895 5.0924 7.8450 7.8482 8.0113 8.0130 8.3747 8.3792 8.6263 8.6289 10.0385 10.0397 10.0942 10.0949 16.8714 16.8716 18.0822 18.0826 20.7270 20.7271 21.5344 21.5369 k = 0.0000 0.0222 0.4932 ( 1518 PWs) bands (ev): -8.0407 -8.0407 -6.4638 -6.4638 -0.6872 -0.6871 -0.3437 -0.3433 0.1713 0.1717 3.5760 3.5765 4.4099 4.4141 4.7137 4.7154 4.7180 4.7210 5.0302 5.0327 7.9049 7.9076 8.0508 8.0521 8.3359 8.3394 8.6119 8.6138 10.0384 10.0392 10.0900 10.0905 16.8502 16.8504 18.0604 18.0608 20.7363 20.7363 21.5678 21.5697 k = 0.0000 0.0111 0.4932 ( 1518 PWs) bands (ev): -8.0435 -8.0435 -6.4655 -6.4655 -0.6821 -0.6820 -0.2787 -0.2784 0.1095 0.1097 3.5920 3.5922 4.4604 4.4640 4.6400 4.6433 4.7492 4.7508 4.9850 4.9867 7.9482 7.9499 8.0765 8.0772 8.3059 8.3080 8.6016 8.6026 10.0386 10.0390 10.0877 10.0879 16.8375 16.8376 18.0474 18.0476 20.7419 20.7419 21.5896 21.5906 k = 0.0000 0.0000 0.4932 ( 1518 PWs) bands (ev): -8.0444 -8.0444 -6.4661 -6.4661 -0.6804 -0.6804 -0.2516 -0.2516 0.0837 0.0837 3.5974 3.5974 4.4943 4.4943 4.6007 4.6007 4.7648 4.7648 4.9673 4.9673 7.9652 7.9652 8.0857 8.0857 8.2948 8.2948 8.5982 8.5982 10.0388 10.0388 10.0870 10.0870 16.8333 16.8333 18.0431 18.0431 20.7438 20.7438 21.5975 21.5975 k = 0.0000 0.4994-0.0000 ( 1522 PWs) bands (ev): -7.3249 -7.3249 -7.3248 -7.3248 -0.6712 -0.6712 -0.6702 -0.6702 2.4135 2.4135 2.4173 2.4173 4.0980 4.0980 4.1030 4.1030 4.5070 4.5070 4.5099 4.5099 8.2744 8.2744 8.2746 8.2746 9.0299 9.0299 9.0312 9.0312 9.5801 9.5801 9.5801 9.5801 17.3327 17.3327 17.3328 17.3328 20.8254 20.8254 20.8277 20.8277 k = 0.0000 0.4994 0.0112 ( 1522 PWs) bands (ev): -7.3242 -7.3242 -7.3241 -7.3241 -0.6744 -0.6744 -0.6734 -0.6734 2.4140 2.4140 2.4179 2.4179 4.0877 4.0877 4.0926 4.0926 4.5224 4.5224 4.5252 4.5252 8.2670 8.2670 8.2674 8.2674 9.0284 9.0284 9.0301 9.0301 9.5844 9.5844 9.5851 9.5851 17.3369 17.3369 17.3371 17.3371 20.8244 20.8244 20.8268 20.8268 k = 0.0000 0.4994 0.0224 ( 1522 PWs) bands (ev): -7.3219 -7.3219 -7.3218 -7.3218 -0.6840 -0.6840 -0.6830 -0.6830 2.4157 2.4157 2.4196 2.4196 4.0608 4.0608 4.0654 4.0654 4.5646 4.5646 4.5671 4.5671 8.2452 8.2452 8.2460 8.2460 9.0240 9.0240 9.0264 9.0264 9.5980 9.5980 9.5993 9.5993 17.3495 17.3495 17.3497 17.3497 20.8214 20.8214 20.8238 20.8238 k = 0.0000 0.4994 0.0336 ( 1522 PWs) bands (ev): -7.3181 -7.3181 -7.3180 -7.3180 -0.6999 -0.6999 -0.6990 -0.6990 2.4186 2.4186 2.4224 2.4224 4.0248 4.0248 4.0290 4.0290 4.6257 4.6257 4.6280 4.6280 8.2105 8.2105 8.2116 8.2116 9.0159 9.0159 9.0190 9.0190 9.6205 9.6205 9.6222 9.6222 17.3704 17.3704 17.3707 17.3707 20.8163 20.8163 20.8187 20.8187 k = 0.0000 0.4994 0.0448 ( 1522 PWs) bands (ev): -7.3128 -7.3128 -7.3127 -7.3127 -0.7221 -0.7221 -0.7211 -0.7211 2.4226 2.4226 2.4264 2.4264 3.9855 3.9855 3.9894 3.9894 4.6996 4.6996 4.7017 4.7017 8.1645 8.1645 8.1659 8.1659 9.0034 9.0034 9.0070 9.0070 9.6512 9.6512 9.6532 9.6532 17.3995 17.3995 17.3998 17.3998 20.8091 20.8091 20.8116 20.8116 k = 0.0000 0.4994 0.0560 ( 1520 PWs) bands (ev): -7.3060 -7.3060 -7.3060 -7.3060 -0.7502 -0.7502 -0.7493 -0.7493 2.4280 2.4280 2.4317 2.4317 3.9465 3.9465 3.9502 3.9502 4.7826 4.7826 4.7846 4.7846 8.1092 8.1092 8.1107 8.1107 8.9858 8.9858 8.9898 8.9898 9.6891 9.6891 9.6913 9.6913 17.4366 17.4366 17.4369 17.4369 20.7998 20.7998 20.8023 20.8023 k = 0.0000 0.4994 0.0673 ( 1530 PWs) bands (ev): -7.2978 -7.2978 -7.2977 -7.2977 -0.7842 -0.7842 -0.7833 -0.7833 2.4346 2.4346 2.4383 2.4383 3.9095 3.9095 3.9131 3.9131 4.8723 4.8723 4.8742 4.8742 8.0461 8.0461 8.0477 8.0477 8.9628 8.9628 8.9669 8.9669 9.7331 9.7331 9.7353 9.7353 17.4813 17.4813 17.4817 17.4817 20.7881 20.7881 20.7908 20.7908 k = 0.0000 0.4994 0.0785 ( 1534 PWs) bands (ev): -7.2881 -7.2881 -7.2880 -7.2880 -0.8237 -0.8237 -0.8228 -0.8228 2.4426 2.4426 2.4462 2.4462 3.8757 3.8757 3.8792 3.8792 4.9674 4.9674 4.9692 4.9692 7.9767 7.9767 7.9784 7.9784 8.9344 8.9344 8.9385 8.9385 9.7820 9.7820 9.7842 9.7842 17.5336 17.5336 17.5340 17.5340 20.7742 20.7742 20.7770 20.7770 k = 0.0000 0.4994 0.0897 ( 1534 PWs) bands (ev): -7.2769 -7.2769 -7.2768 -7.2768 -0.8684 -0.8684 -0.8675 -0.8675 2.4521 2.4521 2.4557 2.4557 3.8457 3.8457 3.8491 3.8491 5.0668 5.0668 5.0686 5.0686 7.9023 7.9023 7.9040 7.9040 8.9008 8.9008 8.9049 8.9049 9.8347 9.8347 9.8369 9.8369 17.5929 17.5929 17.5934 17.5934 20.7581 20.7581 20.7609 20.7609 k = 0.0000 0.4994 0.1009 ( 1530 PWs) bands (ev): -7.2643 -7.2643 -7.2643 -7.2643 -0.9180 -0.9180 -0.9172 -0.9172 2.4632 2.4632 2.4667 2.4667 3.8196 3.8196 3.8229 3.8229 5.1698 5.1698 5.1715 5.1715 7.8239 7.8239 7.8256 7.8256 8.8624 8.8624 8.8664 8.8664 9.8903 9.8903 9.8924 9.8924 17.6590 17.6590 17.6596 17.6596 20.7397 20.7397 20.7426 20.7426 k = 0.0000 0.4994 0.1121 ( 1534 PWs) bands (ev): -7.2504 -7.2504 -7.2503 -7.2503 -0.9722 -0.9722 -0.9714 -0.9714 2.4759 2.4759 2.4793 2.4793 3.7975 3.7975 3.8008 3.8008 5.2757 5.2757 5.2773 5.2773 7.7422 7.7422 7.7439 7.7439 8.8194 8.8194 8.8233 8.8233 9.9478 9.9478 9.9498 9.9498 17.7313 17.7313 17.7320 17.7320 20.7190 20.7190 20.7220 20.7220 k = 0.0000 0.4994 0.1233 ( 1526 PWs) bands (ev): -7.2350 -7.2350 -7.2350 -7.2350 -1.0305 -1.0305 -1.0298 -1.0298 2.4903 2.4903 2.4937 2.4937 3.7794 3.7794 3.7826 3.7826 5.3839 5.3839 5.3854 5.3854 7.6579 7.6579 7.6596 7.6596 8.7725 8.7725 8.7763 8.7763 10.0067 10.0067 10.0087 10.0087 17.8095 17.8095 17.8102 17.8102 20.6962 20.6962 20.6994 20.6994 k = 0.0000 0.4994 0.1345 ( 1522 PWs) bands (ev): -7.2184 -7.2184 -7.2183 -7.2183 -1.0927 -1.0927 -1.0919 -1.0919 2.5065 2.5065 2.5099 2.5099 3.7652 3.7652 3.7684 3.7684 5.4938 5.4938 5.4953 5.4953 7.5716 7.5716 7.5732 7.5732 8.7219 8.7219 8.7256 8.7256 10.0664 10.0664 10.0682 10.0682 17.8930 17.8930 17.8938 17.8938 20.6715 20.6715 20.6747 20.6747 k = 0.0000 0.4994 0.1457 ( 1522 PWs) bands (ev): -7.2005 -7.2005 -7.2004 -7.2004 -1.1582 -1.1582 -1.1575 -1.1575 2.5246 2.5246 2.5278 2.5278 3.7547 3.7547 3.7578 3.7578 5.6048 5.6048 5.6063 5.6063 7.4838 7.4838 7.4854 7.4854 8.6682 8.6682 8.6718 8.6718 10.1265 10.1265 10.1282 10.1282 17.9813 17.9813 17.9821 17.9821 20.6450 20.6450 20.6483 20.6483 k = 0.0000 0.4994 0.1569 ( 1518 PWs) bands (ev): -7.1813 -7.1813 -7.1812 -7.1812 -1.2267 -1.2267 -1.2260 -1.2260 2.5445 2.5445 2.5476 2.5476 3.7478 3.7478 3.7508 3.7508 5.7164 5.7164 5.7178 5.7178 7.3949 7.3949 7.3965 7.3965 8.6119 8.6119 8.6154 8.6154 10.1866 10.1866 10.1882 10.1882 18.0738 18.0738 18.0747 18.0747 20.6171 20.6171 20.6205 20.6205 k = 0.0000 0.4994 0.1681 ( 1526 PWs) bands (ev): -7.1610 -7.1610 -7.1609 -7.1609 -1.2978 -1.2978 -1.2971 -1.2971 2.5663 2.5663 2.5694 2.5694 3.7441 3.7441 3.7471 3.7471 5.8280 5.8280 5.8293 5.8293 7.3055 7.3055 7.3070 7.3070 8.5533 8.5533 8.5567 8.5567 10.2464 10.2464 10.2480 10.2480 18.1698 18.1698 18.1708 18.1708 20.5882 20.5882 20.5916 20.5916 k = 0.0000 0.4994 0.1794 ( 1526 PWs) bands (ev): -7.1395 -7.1395 -7.1394 -7.1394 -1.3711 -1.3711 -1.3704 -1.3704 2.5900 2.5900 2.5930 2.5930 3.7436 3.7436 3.7466 3.7466 5.9386 5.9386 5.9399 5.9399 7.2161 7.2161 7.2176 7.2176 8.4930 8.4930 8.4964 8.4964 10.3057 10.3057 10.3072 10.3072 18.2687 18.2687 18.2699 18.2699 20.5588 20.5588 20.5623 20.5623 k = 0.0000 0.4994 0.1906 ( 1524 PWs) bands (ev): -7.1170 -7.1170 -7.1169 -7.1169 -1.4461 -1.4461 -1.4455 -1.4455 2.6156 2.6156 2.6186 2.6186 3.7460 3.7460 3.7489 3.7489 6.0475 6.0475 6.0488 6.0488 7.1275 7.1275 7.1289 7.1289 8.4315 8.4315 8.4348 8.4348 10.3644 10.3644 10.3659 10.3659 18.3699 18.3699 18.3711 18.3711 20.5294 20.5294 20.5330 20.5330 k = 0.0000 0.4994 0.2018 ( 1516 PWs) bands (ev): -7.0934 -7.0934 -7.0933 -7.0933 -1.5226 -1.5226 -1.5220 -1.5220 2.6432 2.6432 2.6461 2.6461 3.7511 3.7511 3.7539 3.7539 6.1532 6.1532 6.1545 6.1545 7.0407 7.0407 7.0421 7.0421 8.3692 8.3692 8.3725 8.3725 10.4223 10.4223 10.4237 10.4237 18.4723 18.4723 18.4737 18.4737 20.5008 20.5008 20.5044 20.5044 k = 0.0000 0.4994 0.2130 ( 1520 PWs) bands (ev): -7.0689 -7.0689 -7.0688 -7.0688 -1.6001 -1.6001 -1.5995 -1.5995 2.6727 2.6727 2.6755 2.6755 3.7586 3.7586 3.7614 3.7614 6.2531 6.2531 6.2546 6.2546 6.9576 6.9576 6.9590 6.9590 8.3068 8.3068 8.3101 8.3101 10.4792 10.4792 10.4805 10.4805 18.5751 18.5751 18.5766 18.5766 20.4735 20.4735 20.4772 20.4772 k = 0.0000 0.4994 0.2242 ( 1520 PWs) bands (ev): -7.0436 -7.0436 -7.0435 -7.0435 -1.6783 -1.6783 -1.6777 -1.6777 2.7041 2.7041 2.7068 2.7068 3.7683 3.7683 3.7710 3.7710 6.3431 6.3431 6.3447 6.3447 6.8823 6.8823 6.8837 6.8837 8.2449 8.2449 8.2482 8.2482 10.5350 10.5350 10.5363 10.5363 18.6772 18.6772 18.6788 18.6788 20.4486 20.4486 20.4524 20.4524 k = 0.0000 0.4994 0.2354 ( 1524 PWs) bands (ev): -7.0175 -7.0175 -7.0174 -7.0174 -1.7568 -1.7568 -1.7563 -1.7563 2.7373 2.7373 2.7400 2.7400 3.7799 3.7799 3.7826 3.7826 6.4132 6.4132 6.4153 6.4153 6.8238 6.8238 6.8254 6.8254 8.1842 8.1842 8.1875 8.1875 10.5896 10.5896 10.5909 10.5909 18.7774 18.7774 18.7791 18.7791 20.4270 20.4270 20.4309 20.4309 k = 0.0000 0.4994 0.2466 ( 1528 PWs) bands (ev): -6.9908 -6.9908 -6.9907 -6.9907 -1.8353 -1.8353 -1.8347 -1.8347 2.7724 2.7724 2.7750 2.7750 3.7933 3.7933 3.7959 3.7959 6.4452 6.4452 6.4478 6.4478 6.7997 6.7997 6.8016 6.8016 8.1255 8.1255 8.1289 8.1289 10.6429 10.6429 10.6442 10.6442 18.8743 18.8743 18.8761 18.8761 20.4099 20.4099 20.4138 20.4138 k = 0.0000 0.4994 0.2578 ( 1534 PWs) bands (ev): -6.9635 -6.9635 -6.9634 -6.9634 -1.9134 -1.9134 -1.9129 -1.9129 2.8092 2.8092 2.8118 2.8118 3.8081 3.8081 3.8106 3.8106 6.4267 6.4267 6.4295 6.4295 6.8221 6.8221 6.8240 6.8240 8.0701 8.0701 8.0735 8.0735 10.6949 10.6949 10.6961 10.6961 18.9664 18.9664 18.9684 18.9684 20.3984 20.3984 20.4024 20.4024 k = 0.0000 0.4994 0.2690 ( 1534 PWs) bands (ev): -6.9357 -6.9357 -6.9356 -6.9356 -1.9908 -1.9908 -1.9903 -1.9903 2.8478 2.8478 2.8503 2.8503 3.8241 3.8241 3.8266 3.8266 6.3723 6.3723 6.3750 6.3750 6.8749 6.8749 6.8766 6.8766 8.0192 8.0192 8.0227 8.0227 10.7454 10.7454 10.7466 10.7466 19.0522 19.0522 19.0542 19.0542 20.3940 20.3940 20.3980 20.3980 k = 0.0000 0.4994 0.2802 ( 1532 PWs) bands (ev): -6.9076 -6.9076 -6.9075 -6.9075 -2.0672 -2.0672 -2.0667 -2.0667 2.8880 2.8880 2.8904 2.8904 3.8411 3.8411 3.8435 3.8435 6.3014 6.3014 6.3039 6.3039 6.9371 6.9371 6.9385 6.9385 7.9746 7.9746 7.9782 7.9782 10.7944 10.7944 10.7956 10.7956 19.1299 19.1299 19.1320 19.1320 20.3978 20.3978 20.4018 20.4018 k = 0.0000 0.4994 0.2914 ( 1532 PWs) bands (ev): -6.8793 -6.8793 -6.8792 -6.8792 -2.1422 -2.1422 -2.1417 -2.1417 2.9297 2.9297 2.9321 2.9321 3.8587 3.8587 3.8611 3.8611 6.2238 6.2238 6.2262 6.2262 6.9968 6.9968 6.9980 6.9980 7.9384 7.9384 7.9422 7.9422 10.8418 10.8418 10.8429 10.8429 19.1980 19.1980 19.2002 19.2002 20.4107 20.4107 20.4148 20.4148 k = 0.0000 0.4994 0.3027 ( 1536 PWs) bands (ev): -6.8510 -6.8510 -6.8509 -6.8509 -2.2156 -2.2156 -2.2151 -2.2151 2.9729 2.9729 2.9753 2.9753 3.8766 3.8766 3.8790 3.8790 6.1436 6.1436 6.1460 6.1460 7.0474 7.0474 7.0487 7.0487 7.9130 7.9130 7.9169 7.9169 10.8874 10.8874 10.8885 10.8885 19.2556 19.2556 19.2579 19.2579 20.4332 20.4332 20.4373 20.4373 k = 0.0000 0.4994 0.3139 ( 1540 PWs) bands (ev): -6.8228 -6.8228 -6.8227 -6.8227 -2.2870 -2.2870 -2.2866 -2.2866 3.0175 3.0175 3.0198 3.0198 3.8946 3.8946 3.8970 3.8970 6.0631 6.0631 6.0655 6.0655 7.0849 7.0849 7.0862 7.0862 7.9008 7.9008 7.9048 7.9048 10.9312 10.9312 10.9323 10.9323 19.3023 19.3023 19.3045 19.3045 20.4650 20.4650 20.4691 20.4691 k = 0.0000 0.4994 0.3251 ( 1544 PWs) bands (ev): -6.7949 -6.7949 -6.7948 -6.7948 -2.3562 -2.3562 -2.3558 -2.3558 3.0633 3.0633 3.0656 3.0656 3.9123 3.9123 3.9146 3.9146 5.9834 5.9834 5.9857 5.9857 7.1072 7.1072 7.1086 7.1086 7.9029 7.9029 7.9070 7.9070 10.9731 10.9731 10.9742 10.9742 19.3384 19.3384 19.3406 19.3406 20.5049 20.5049 20.5090 20.5090 k = 0.0000 0.4994 0.3363 ( 1544 PWs) bands (ev): -6.7674 -6.7674 -6.7673 -6.7673 -2.4228 -2.4228 -2.4224 -2.4224 3.1103 3.1103 3.1125 3.1125 3.9294 3.9294 3.9316 3.9316 5.9053 5.9053 5.9076 5.9076 7.1142 7.1142 7.1155 7.1155 7.9191 7.9191 7.9231 7.9231 11.0130 11.0130 11.0142 11.0142 19.3650 19.3650 19.3671 19.3671 20.5509 20.5509 20.5550 20.5550 k = 0.0000 0.4994 0.3475 ( 1540 PWs) bands (ev): -6.7405 -6.7405 -6.7404 -6.7404 -2.4865 -2.4865 -2.4861 -2.4861 3.1582 3.1582 3.1604 3.1604 3.9454 3.9454 3.9476 3.9476 5.8294 5.8294 5.8318 5.8318 7.1077 7.1077 7.1091 7.1091 7.9470 7.9470 7.9509 7.9509 11.0509 11.0509 11.0520 11.0520 19.3836 19.3836 19.3856 19.3856 20.6004 20.6004 20.6045 20.6045 k = 0.0000 0.4994 0.3587 ( 1536 PWs) bands (ev): -6.7144 -6.7144 -6.7143 -6.7143 -2.5471 -2.5471 -2.5467 -2.5467 3.2069 3.2069 3.2091 3.2091 3.9599 3.9599 3.9620 3.9620 5.7563 5.7563 5.7588 5.7588 7.0909 7.0909 7.0922 7.0922 7.9835 7.9835 7.9873 7.9873 11.0865 11.0865 11.0876 11.0876 19.3957 19.3957 19.3976 19.3976 20.6505 20.6505 20.6546 20.6546 k = 0.0000 0.4994 0.3699 ( 1536 PWs) bands (ev): -6.6894 -6.6894 -6.6893 -6.6893 -2.6042 -2.6042 -2.6038 -2.6038 3.2562 3.2562 3.2583 3.2583 3.9725 3.9725 3.9746 3.9746 5.6865 5.6865 5.6891 5.6891 7.0669 7.0669 7.0683 7.0683 8.0252 8.0252 8.0288 8.0288 11.1198 11.1198 11.1209 11.1209 19.4029 19.4029 19.4047 19.4047 20.6981 20.6981 20.7022 20.7022 k = 0.0000 0.4994 0.3811 ( 1536 PWs) bands (ev): -6.6656 -6.6656 -6.6655 -6.6655 -2.6575 -2.6575 -2.6571 -2.6571 3.3057 3.3057 3.3078 3.3078 3.9828 3.9828 3.9849 3.9849 5.6205 5.6205 5.6232 5.6232 7.0387 7.0387 7.0400 7.0400 8.0693 8.0693 8.0727 8.0727 11.1507 11.1507 11.1518 11.1518 19.4066 19.4066 19.4082 19.4082 20.7406 20.7406 20.7448 20.7448 k = 0.0000 0.4994 0.3923 ( 1532 PWs) bands (ev): -6.6433 -6.6433 -6.6432 -6.6432 -2.7068 -2.7068 -2.7064 -2.7064 3.3553 3.3553 3.3573 3.3573 3.9904 3.9904 3.9924 3.9924 5.5589 5.5589 5.5617 5.5617 7.0085 7.0085 7.0098 7.0098 8.1134 8.1134 8.1167 8.1167 11.1791 11.1791 11.1802 11.1802 19.4079 19.4079 19.4094 19.4094 20.7758 20.7758 20.7800 20.7800 k = 0.0000 0.4994 0.4035 ( 1532 PWs) bands (ev): -6.6226 -6.6226 -6.6225 -6.6225 -2.7518 -2.7518 -2.7514 -2.7514 3.4045 3.4045 3.4064 3.4064 3.9948 3.9948 3.9969 3.9969 5.5022 5.5022 5.5050 5.5050 6.9780 6.9780 6.9794 6.9794 8.1559 8.1559 8.1591 8.1591 11.2048 11.2048 11.2060 11.2060 19.4077 19.4077 19.4090 19.4090 20.8021 20.8021 20.8063 20.8063 k = 0.0000 0.4994 0.4148 ( 1530 PWs) bands (ev): -6.6037 -6.6037 -6.6036 -6.6036 -2.7922 -2.7922 -2.7918 -2.7918 3.4528 3.4528 3.4547 3.4547 3.9959 3.9959 3.9979 3.9979 5.4508 5.4508 5.4538 5.4538 6.9486 6.9486 6.9500 6.9500 8.1954 8.1954 8.1985 8.1985 11.2278 11.2278 11.2290 11.2290 19.4066 19.4066 19.4078 19.4078 20.8193 20.8193 20.8234 20.8234 k = 0.0000 0.4994 0.4260 ( 1532 PWs) bands (ev): -6.5869 -6.5869 -6.5868 -6.5868 -2.8278 -2.8278 -2.8274 -2.8274 3.4996 3.4996 3.5015 3.5015 3.9935 3.9935 3.9954 3.9954 5.4053 5.4053 5.4084 5.4084 6.9214 6.9214 6.9228 6.9228 8.2311 8.2311 8.2341 8.2341 11.2480 11.2480 11.2491 11.2491 19.4050 19.4050 19.4061 19.4061 20.8281 20.8281 20.8321 20.8321 k = 0.0000 0.4994 0.4372 ( 1532 PWs) bands (ev): -6.5723 -6.5723 -6.5722 -6.5722 -2.8584 -2.8584 -2.8580 -2.8580 3.5443 3.5443 3.5460 3.5460 3.9877 3.9877 3.9896 3.9896 5.3661 5.3661 5.3693 5.3693 6.8971 6.8971 6.8985 6.8985 8.2623 8.2623 8.2652 8.2652 11.2652 11.2652 11.2664 11.2664 19.4035 19.4035 19.4043 19.4043 20.8304 20.8304 20.8343 20.8343 k = 0.0000 0.4994 0.4484 ( 1536 PWs) bands (ev): -6.5601 -6.5601 -6.5600 -6.5600 -2.8837 -2.8837 -2.8833 -2.8833 3.5856 3.5856 3.5872 3.5872 3.9790 3.9790 3.9808 3.9808 5.3335 5.3335 5.3369 5.3369 6.8764 6.8764 6.8778 6.8778 8.2884 8.2884 8.2913 8.2913 11.2795 11.2795 11.2806 11.2806 19.4020 19.4020 19.4027 19.4027 20.8285 20.8285 20.8322 20.8322 k = 0.0000 0.4994 0.4596 ( 1528 PWs) bands (ev): -6.5505 -6.5505 -6.5504 -6.5504 -2.9035 -2.9035 -2.9031 -2.9031 3.6220 3.6220 3.6234 3.6234 3.9685 3.9685 3.9701 3.9701 5.3080 5.3080 5.3114 5.3114 6.8598 6.8598 6.8613 6.8613 8.3092 8.3092 8.3121 8.3121 11.2906 11.2906 11.2918 11.2918 19.4008 19.4008 19.4014 19.4014 20.8245 20.8245 20.8281 20.8281 k = 0.0000 0.4994 0.4708 ( 1528 PWs) bands (ev): -6.5435 -6.5435 -6.5434 -6.5434 -2.9178 -2.9178 -2.9174 -2.9174 3.6515 3.6515 3.6526 3.6526 3.9579 3.9579 3.9594 3.9594 5.2896 5.2896 5.2931 5.2931 6.8477 6.8477 6.8492 6.8492 8.3241 8.3241 8.3270 8.3270 11.2986 11.2986 11.2998 11.2998 19.4000 19.4000 19.4004 19.4004 20.8203 20.8203 20.8238 20.8238 k = 0.0000 0.4994 0.4820 ( 1532 PWs) bands (ev): -6.5393 -6.5393 -6.5392 -6.5392 -2.9265 -2.9265 -2.9261 -2.9261 3.6712 3.6712 3.6719 3.6719 3.9498 3.9498 3.9511 3.9511 5.2785 5.2785 5.2821 5.2821 6.8403 6.8403 6.8418 6.8418 8.3332 8.3332 8.3360 8.3360 11.3034 11.3034 11.3046 11.3046 19.3995 19.3995 19.3997 19.3997 20.8172 20.8172 20.8207 20.8207 k = 0.0000 0.4994 0.4932 ( 1524 PWs) bands (ev): -6.5379 -6.5379 -6.5378 -6.5378 -2.9293 -2.9293 -2.9289 -2.9289 3.6783 3.6783 3.6787 3.6787 3.9467 3.9467 3.9479 3.9479 5.2748 5.2748 5.2784 5.2784 6.8378 6.8378 6.8393 6.8393 8.3363 8.3363 8.3391 8.3391 11.3051 11.3051 11.3062 11.3062 19.3994 19.3994 19.3996 19.3996 20.8161 20.8161 20.8196 20.8196 k = 0.5000-0.0000 0.4932 ( 1524 PWs) bands (ev): -7.0730 -7.0730 -5.7733 -5.7733 -3.9715 -3.9715 -1.6783 -1.6783 2.9710 2.9710 3.1862 3.1862 3.4946 3.4946 4.2844 4.2844 5.1608 5.1608 5.8592 5.8592 5.9528 5.9528 7.1959 7.1959 9.9758 9.9758 10.0335 10.0335 10.0539 10.0539 10.1379 10.1379 19.8107 19.8107 19.8892 19.8892 20.1343 20.1343 20.5876 20.5876 k = 0.5000-0.0000 0.4820 ( 1528 PWs) bands (ev): -7.0766 -7.0766 -5.7688 -5.7688 -3.9746 -3.9746 -1.6735 -1.6734 2.9513 2.9515 3.2070 3.2070 3.4918 3.4919 4.2813 4.2815 5.1644 5.1647 5.8571 5.8571 5.9568 5.9572 7.1990 7.1990 9.9390 9.9400 10.0267 10.0268 10.0648 10.0657 10.1607 10.1608 19.8113 19.8116 19.8694 19.8715 20.1535 20.1553 20.5916 20.5917 k = 0.5000-0.0000 0.4708 ( 1528 PWs) bands (ev): -7.0873 -7.0873 -5.7554 -5.7553 -3.9835 -3.9835 -1.6589 -1.6589 2.9061 2.9063 3.2558 3.2559 3.4835 3.4838 4.2724 4.2728 5.1754 5.1759 5.8510 5.8511 5.9693 5.9700 7.2080 7.2082 9.8794 9.8806 9.9753 9.9753 10.1102 10.1112 10.1997 10.1998 19.8132 19.8140 19.8244 19.8275 20.2016 20.2042 20.6034 20.6035 k = 0.5000-0.0000 0.4596 ( 1528 PWs) bands (ev): -7.1047 -7.1047 -5.7335 -5.7335 -3.9982 -3.9982 -1.6349 -1.6348 2.8513 2.8516 3.3166 3.3167 3.4700 3.4704 4.2579 4.2586 5.1935 5.1943 5.8412 5.8414 5.9898 5.9909 7.2226 7.2229 9.8130 9.8142 9.9162 9.9163 10.1535 10.1544 10.2381 10.2382 19.7689 19.7726 19.8168 19.8177 20.2631 20.2660 20.6229 20.6232 k = 0.5000-0.0000 0.4484 ( 1532 PWs) bands (ev): -7.1280 -7.1280 -5.7040 -5.7039 -4.0182 -4.0182 -1.6018 -1.6017 2.7935 2.7938 3.3828 3.3828 3.4517 3.4522 4.2384 4.2392 5.2183 5.2194 5.8283 5.8284 6.0179 6.0193 7.2422 7.2425 9.7413 9.7425 9.8528 9.8529 10.1929 10.1938 10.2730 10.2732 19.7098 19.7139 19.8213 19.8225 20.3305 20.3333 20.6499 20.6502 k = 0.5000-0.0000 0.4372 ( 1536 PWs) bands (ev): -7.1564 -7.1564 -5.6675 -5.6675 -4.0431 -4.0430 -1.5602 -1.5601 2.7351 2.7355 3.4290 3.4296 3.4517 3.4517 4.2144 4.2153 5.2494 5.2507 5.8128 5.8130 6.0530 6.0548 7.2659 7.2664 9.6645 9.6658 9.7863 9.7864 10.2283 10.2292 10.3036 10.3038 19.6498 19.6540 19.8265 19.8281 20.4003 20.4030 20.6840 20.6844 k = 0.5000-0.0000 0.4260 ( 1530 PWs) bands (ev): -7.1891 -7.1891 -5.6251 -5.6250 -4.0722 -4.0722 -1.5106 -1.5105 2.6774 2.6778 3.4025 3.4032 3.5220 3.5220 4.1865 4.1876 5.2863 5.2879 5.7955 5.7958 6.0946 6.0966 7.2929 7.2935 9.5830 9.5843 9.7177 9.7179 10.2597 10.2606 10.3295 10.3297 19.5900 19.5943 19.8318 19.8338 20.4708 20.4733 20.7247 20.7251 k = 0.5000-0.0000 0.4148 ( 1530 PWs) bands (ev): -7.2254 -7.2253 -5.5775 -5.5774 -4.1050 -4.1050 -1.4535 -1.4534 2.6209 2.6213 3.3727 3.3734 3.5929 3.5930 4.1553 4.1566 5.3283 5.3301 5.7772 5.7775 6.1418 6.1440 7.3220 7.3227 9.4968 9.4982 9.6477 9.6480 10.2871 10.2881 10.3507 10.3509 19.5305 19.5350 19.8363 19.8386 20.5403 20.5426 20.7710 20.7712 k = 0.5000-0.0000 0.4035 ( 1532 PWs) bands (ev): -7.2643 -7.2642 -5.5256 -5.5254 -4.1410 -4.1410 -1.3898 -1.3896 2.5659 2.5663 3.3401 3.3408 3.6639 3.6641 4.1215 4.1229 5.3748 5.3768 5.7586 5.7590 6.1939 6.1964 7.3520 7.3528 9.4061 9.4074 9.5774 9.5776 10.3109 10.3118 10.3671 10.3673 19.4715 19.4760 19.8383 19.8411 20.6076 20.6095 20.8179 20.8182 k = 0.5000-0.0000 0.3923 ( 1532 PWs) bands (ev): -7.3053 -7.3052 -5.4700 -5.4698 -4.1796 -4.1796 -1.3198 -1.3196 2.5127 2.5131 3.3051 3.3059 3.7345 3.7347 4.0857 4.0872 5.4253 5.4275 5.7407 5.7411 6.2505 6.2532 7.3817 7.3825 9.3109 9.3123 9.5077 9.5080 10.3309 10.3318 10.3786 10.3788 19.4129 19.4175 19.8358 19.8390 20.6712 20.6727 20.7996 20.8006 k = 0.5000-0.0000 0.3811 ( 1536 PWs) bands (ev): -7.3478 -7.3477 -5.4114 -5.4112 -4.2202 -4.2202 -1.2441 -1.2440 2.4614 2.4618 3.2684 3.2692 3.8041 3.8044 4.0485 4.0500 5.4793 5.4817 5.7241 5.7246 6.3108 6.3137 7.4094 7.4104 9.2114 9.2129 9.4399 9.4403 10.3475 10.3484 10.3853 10.3856 19.3544 19.3590 19.8259 19.8295 20.7287 20.7291 20.7330 20.7357 k = 0.5000-0.0000 0.3699 ( 1536 PWs) bands (ev): -7.3913 -7.3912 -5.3503 -5.3502 -4.2624 -4.2624 -1.1634 -1.1633 2.4121 2.4126 3.2302 3.2311 3.8723 3.8726 4.0102 4.0118 5.5363 5.5388 5.7098 5.7103 6.3743 6.3774 7.4338 7.4349 9.1079 9.1094 9.3754 9.3758 10.3608 10.3617 10.3873 10.3876 19.2956 19.3002 19.8050 19.8090 20.6708 20.6733 20.7810 20.7817 k = 0.5000-0.0000 0.3587 ( 1536 PWs) bands (ev): -7.4354 -7.4353 -5.2873 -5.2872 -4.3057 -4.3057 -1.0780 -1.0779 2.3651 2.3656 3.1910 3.1919 3.9385 3.9388 3.9714 3.9731 5.5957 5.5984 5.6985 5.6991 6.4405 6.4438 7.4532 7.4543 9.0005 9.0020 9.3157 9.3162 10.3709 10.3718 10.3847 10.3850 19.2363 19.2408 19.7696 19.7739 20.6227 20.6254 20.8237 20.8240 k = 0.5000-0.0000 0.3475 ( 1540 PWs) bands (ev): -7.4797 -7.4796 -5.2228 -5.2226 -4.3498 -4.3498 -0.9885 -0.9883 2.3202 2.3207 3.1511 3.1519 3.9325 3.9342 4.0021 4.0024 5.6571 5.6600 5.6910 5.6918 6.5090 6.5125 7.4657 7.4669 8.8894 8.8909 9.2625 9.2630 10.3771 10.3777 10.3786 10.3793 19.1758 19.1803 19.7172 19.7216 20.5914 20.5942 20.8560 20.8563 k = 0.5000-0.0000 0.3363 ( 1544 PWs) bands (ev): -7.5240 -7.5240 -5.1571 -5.1569 -4.3943 -4.3943 -0.8951 -0.8949 2.2777 2.2783 3.1107 3.1115 3.8937 3.8954 4.0625 4.0629 5.6882 5.6886 5.7206 5.7233 6.5792 6.5829 7.4697 7.4710 8.7749 8.7765 9.2175 9.2180 10.3660 10.3664 10.3827 10.3836 19.1137 19.1182 19.6475 19.6518 20.5779 20.5806 20.8770 20.8778 k = 0.5000-0.0000 0.3251 ( 1544 PWs) bands (ev): -7.5680 -7.5680 -5.0906 -5.0904 -4.4389 -4.4389 -0.7983 -0.7981 2.2376 2.2381 3.0701 3.0709 3.8555 3.8572 4.1192 4.1196 5.6907 5.6913 5.7848 5.7878 6.6510 6.6548 7.4636 7.4650 8.6574 8.6590 9.1822 9.1827 10.3503 10.3507 10.3846 10.3855 19.0498 19.0542 19.5622 19.5662 20.5810 20.5834 20.8871 20.8883 k = 0.5000-0.0000 0.3139 ( 1536 PWs) bands (ev): -7.6116 -7.6115 -5.0236 -5.0235 -4.4833 -4.4833 -0.6985 -0.6983 2.1999 2.2005 3.0295 3.0304 3.8180 3.8198 4.1715 4.1720 5.6992 5.6998 5.8499 5.8531 6.7238 6.7278 7.4464 7.4479 8.5371 8.5388 9.1577 9.1581 10.3305 10.3310 10.3841 10.3850 18.9837 18.9880 19.4642 19.4680 20.5982 20.6004 20.8872 20.8888 k = 0.5000-0.0000 0.3027 ( 1536 PWs) bands (ev): -7.6544 -7.6543 -4.9564 -4.9562 -4.5274 -4.5274 -0.5959 -0.5956 2.1646 2.1652 2.9891 2.9899 3.7816 3.7834 4.2191 4.2196 5.7142 5.7149 5.9154 5.9187 6.7973 6.8014 7.4174 7.4188 8.4145 8.4162 9.1447 9.1451 10.3069 10.3074 10.3814 10.3824 18.9149 18.9191 19.3566 19.3601 20.6267 20.6286 20.8794 20.8813 k = 0.5000-0.0000 0.2914 ( 1536 PWs) bands (ev): -7.6964 -7.6964 -4.8893 -4.8891 -4.5709 -4.5709 -0.4908 -0.4905 2.1319 2.1325 2.9490 2.9499 3.7464 3.7482 4.2615 4.2621 5.7361 5.7368 5.9808 5.9842 6.8711 6.8754 7.3765 7.3780 8.2900 8.2917 9.1432 9.1435 10.2795 10.2801 10.3767 10.3777 18.8434 18.8475 19.2421 19.2454 20.6639 20.6656 20.8659 20.8681 k = 0.5000-0.0000 0.2802 ( 1532 PWs) bands (ev): -7.7375 -7.7375 -4.8224 -4.8223 -4.6136 -4.6136 -0.3835 -0.3833 2.1017 2.1024 2.9095 2.9103 3.7127 3.7146 4.2987 4.2992 5.7650 5.7657 6.0455 6.0490 6.9450 6.9494 7.3245 7.3259 8.1642 8.1659 9.1527 9.1529 10.2487 10.2494 10.3701 10.3711 18.7691 18.7731 19.1230 19.1261 20.7081 20.7095 20.8493 20.8515 k = 0.5000-0.0000 0.2690 ( 1534 PWs) bands (ev): -7.7776 -7.7775 -4.7562 -4.7560 -4.6554 -4.6554 -0.2744 -0.2741 2.0741 2.0747 2.8704 2.8712 3.6807 3.6826 4.3307 4.3312 5.8008 5.8015 6.1090 6.1126 7.0185 7.0230 7.2625 7.2639 8.0378 8.0395 9.1721 9.1721 10.2146 10.2154 10.3619 10.3629 18.6920 18.6958 19.0009 19.0037 20.7575 20.7587 20.8313 20.8337 k = 0.5000-0.0000 0.2578 ( 1534 PWs) bands (ev): -7.8164 -7.8164 -4.6961 -4.6961 -4.6906 -4.6905 -0.1637 -0.1634 2.0489 2.0496 2.8320 2.8328 3.6507 3.6525 4.3577 4.3582 5.8431 5.8438 6.1703 6.1740 7.0913 7.0958 7.1919 7.1933 7.9116 7.9134 9.1999 9.2000 10.1777 10.1786 10.3522 10.3533 18.6123 18.6160 18.8771 18.8798 20.8111 20.8117 20.8140 20.8162 k = 0.5000-0.0000 0.2466 ( 1524 PWs) bands (ev): -7.8541 -7.8540 -4.7357 -4.7357 -4.6261 -4.6259 -0.0516 -0.0513 2.0264 2.0271 2.7944 2.7951 3.6227 3.6246 4.3801 4.3806 5.8912 5.8919 6.2285 6.2323 7.1147 7.1160 7.1630 7.1676 7.7871 7.7890 9.2346 9.2348 10.1382 10.1392 10.3413 10.3424 18.5304 18.5339 18.7528 18.7553 20.7976 20.8001 20.8677 20.8685 k = 0.5000-0.0000 0.2354 ( 1524 PWs) bands (ev): -7.8904 -7.8903 -4.7740 -4.7740 -4.5628 -4.5626 0.0615 0.0619 2.0063 2.0070 2.7574 2.7581 3.5971 3.5990 4.3985 4.3990 5.9441 5.9447 6.2820 6.2858 7.0325 7.0338 7.2327 7.2373 7.6662 7.6682 9.2745 9.2750 10.0965 10.0977 10.3292 10.3304 18.4466 18.4499 18.6288 18.6312 20.7838 20.7863 20.9266 20.9272 k = 0.5000-0.0000 0.2242 ( 1520 PWs) bands (ev): -7.9253 -7.9253 -4.8110 -4.8109 -4.5009 -4.5007 0.1753 0.1757 1.9887 1.9894 2.7213 2.7220 3.5740 3.5759 4.4136 4.4140 6.0003 6.0008 6.3287 6.3325 6.9476 6.9488 7.2987 7.3030 7.5527 7.5550 9.3180 9.3188 10.0534 10.0547 10.3163 10.3175 18.3614 18.3645 18.5059 18.5081 20.7726 20.7751 20.9870 20.9874 k = 0.5000-0.0000 0.2130 ( 1520 PWs) bands (ev): -7.9588 -7.9588 -4.8465 -4.8465 -4.4406 -4.4404 0.2896 0.2900 1.9735 1.9742 2.6861 2.6867 3.5536 3.5555 4.4260 4.4264 6.0576 6.0581 6.3654 6.3690 6.8626 6.8638 7.3498 7.3522 7.4607 7.4649 9.3632 9.3642 10.0096 10.0112 10.3026 10.3038 18.2753 18.2783 18.3847 18.3868 20.7643 20.7668 21.0481 21.0484 k = 0.5000-0.0000 0.2018 ( 1520 PWs) bands (ev): -7.9909 -7.9908 -4.8805 -4.8805 -4.3822 -4.3820 0.4040 0.4044 1.9607 1.9614 2.6517 2.6523 3.5362 3.5381 4.4364 4.4368 6.1127 6.1131 6.3875 6.3908 6.7812 6.7824 7.3204 7.3205 7.4600 7.4664 9.4078 9.4092 9.9665 9.9684 10.2884 10.2897 18.1890 18.1918 18.2659 18.2678 20.7588 20.7613 21.1095 21.1096 k = 0.5000-0.0000 0.1906 ( 1524 PWs) bands (ev): -8.0214 -8.0213 -4.9129 -4.9129 -4.3257 -4.3255 0.5180 0.5184 1.9501 1.9508 2.6181 2.6186 3.5220 3.5239 4.4454 4.4458 6.1596 6.1599 6.3895 6.3925 6.7096 6.7107 7.2525 7.2528 7.5141 7.5203 9.4490 9.4508 9.9264 9.9286 10.2738 10.2751 18.1030 18.1057 18.1499 18.1516 20.7558 20.7583 21.1704 21.1704 k = 0.5000-0.0000 0.1794 ( 1530 PWs) bands (ev): -8.0503 -8.0503 -4.9438 -4.9437 -4.2714 -4.2712 0.6314 0.6318 1.9416 1.9422 2.5853 2.5858 3.5113 3.5132 4.4537 4.4540 6.1882 6.1885 6.3662 6.3685 6.6581 6.6592 7.2017 7.2025 7.5723 7.5784 9.4825 9.4848 9.8928 9.8954 10.2591 10.2604 18.0180 18.0205 18.0373 18.0389 20.7554 20.7578 21.2302 21.2303 k = 0.5000-0.0000 0.1681 ( 1530 PWs) bands (ev): -8.0776 -8.0776 -4.9729 -4.9729 -4.2194 -4.2192 0.7436 0.7441 1.9351 1.9358 2.5533 2.5538 3.5043 3.5062 4.4618 4.4621 6.1859 6.1863 6.3156 6.3172 6.6395 6.6404 7.1754 7.1768 7.6291 7.6352 9.5026 9.5053 9.8711 9.8741 10.2444 10.2458 17.9283 17.9300 17.9348 17.9369 20.7571 20.7594 21.2885 21.2887 k = 0.5000-0.0000 0.1569 ( 1526 PWs) bands (ev): -8.1033 -8.1032 -5.0003 -5.0003 -4.1700 -4.1698 0.8543 0.8548 1.9306 1.9312 2.5221 2.5225 3.5013 3.5032 4.4702 4.4705 6.1487 6.1491 6.2404 6.2413 6.6576 6.6584 7.1720 7.1740 7.6832 7.6893 9.5038 9.5066 9.8667 9.8698 10.2299 10.2313 17.8239 17.8254 17.8534 17.8555 20.7607 20.7629 21.3449 21.3452 k = 0.5000-0.0000 0.1457 ( 1522 PWs) bands (ev): -8.1273 -8.1273 -5.0260 -5.0260 -4.1232 -4.1231 0.9629 0.9635 1.9277 1.9283 2.4916 2.4920 3.5026 3.5045 4.4793 4.4795 6.0862 6.0867 6.1465 6.1470 6.7031 6.7037 7.1861 7.1886 7.7342 7.7402 9.4850 9.4876 9.8805 9.8833 10.2158 10.2172 17.7242 17.7256 17.7749 17.7768 20.7657 20.7679 21.3988 21.3991 k = 0.5000-0.0000 0.1345 ( 1522 PWs) bands (ev): -8.1496 -8.1496 -5.0499 -5.0498 -4.0793 -4.0792 1.0689 1.0695 1.9263 1.9269 2.4616 2.4620 3.5084 3.5103 4.4894 4.4896 6.0102 6.0106 6.0403 6.0403 6.7640 6.7645 7.2117 7.2145 7.7815 7.7874 9.4501 9.4524 9.9080 9.9104 10.2022 10.2036 17.6297 17.6309 17.6997 17.7014 20.7719 20.7740 21.4498 21.4502 k = 0.5000-0.0000 0.1233 ( 1522 PWs) bands (ev): -8.1702 -8.1702 -5.0719 -5.0719 -4.0384 -4.0382 1.1717 1.1723 1.9263 1.9269 2.4322 2.4325 3.5190 3.5209 4.5008 4.5010 5.9263 5.9264 5.9282 5.9288 6.8327 6.8331 7.2441 7.2472 7.8251 7.8309 9.4049 9.4068 9.9433 9.9453 10.1893 10.1907 17.5408 17.5419 17.6283 17.6299 20.7789 20.7808 21.4976 21.4981 k = 0.5000-0.0000 0.1121 ( 1526 PWs) bands (ev): -8.1891 -8.1891 -5.0922 -5.0922 -4.0005 -4.0004 1.2707 1.2713 1.9273 1.9279 2.4032 2.4034 3.5345 3.5364 4.5138 4.5139 5.8087 5.8091 5.8445 5.8449 6.9047 6.9050 7.2802 7.2833 7.8646 7.8702 9.3538 9.3554 9.9820 9.9837 10.1772 10.1785 17.4579 17.4589 17.5613 17.5627 20.7864 20.7882 21.5418 21.5424 k = 0.5000-0.0000 0.1009 ( 1538 PWs) bands (ev): -8.2063 -8.2063 -5.1106 -5.1106 -3.9659 -3.9658 1.3653 1.3659 1.9293 1.9298 2.3744 2.3746 3.5549 3.5567 4.5284 4.5285 5.6901 5.6907 5.7615 5.7620 6.9775 6.9777 7.3175 7.3206 7.8999 7.9053 9.2997 9.3010 10.0213 10.0227 10.1660 10.1673 17.3814 17.3823 17.4989 17.5002 20.7942 20.7958 21.5823 21.5830 k = 0.5000-0.0000 0.0897 ( 1534 PWs) bands (ev): -8.2216 -8.2216 -5.1271 -5.1271 -3.9346 -3.9345 1.4549 1.4555 1.9319 1.9324 2.3459 2.3461 3.5800 3.5818 4.5446 4.5447 5.5730 5.5736 5.6811 5.6815 7.0491 7.0493 7.3544 7.3575 7.9312 7.9363 9.2447 9.2458 10.0593 10.0605 10.1558 10.1571 17.3117 17.3126 17.4419 17.4430 20.8019 20.8034 21.6191 21.6197 k = 0.5000-0.0000 0.0785 ( 1534 PWs) bands (ev): -8.2352 -8.2352 -5.1416 -5.1416 -3.9068 -3.9067 1.5389 1.5394 1.9349 1.9353 2.3175 2.3176 3.6095 3.6112 4.5623 4.5624 5.4593 5.4600 5.6046 5.6049 7.1180 7.1182 7.3897 7.3926 7.9583 7.9630 9.1906 9.1915 10.0949 10.0958 10.1469 10.1480 17.2493 17.2501 17.3907 17.3916 20.8093 20.8106 21.6518 21.6525 k = 0.5000-0.0000 0.0673 ( 1532 PWs) bands (ev): -8.2470 -8.2470 -5.1543 -5.1543 -3.8825 -3.8824 1.6166 1.6172 1.9381 1.9384 2.2891 2.2892 3.6426 3.6442 4.5812 4.5813 5.3512 5.3519 5.5331 5.5334 7.1826 7.1827 7.4224 7.4250 7.9813 7.9856 9.1389 9.1397 10.1271 10.1278 10.1391 10.1401 17.1945 17.1951 17.3455 17.3463 20.8162 20.8174 21.6804 21.6811 k = 0.5000-0.0000 0.0560 ( 1520 PWs) bands (ev): -8.2570 -8.2570 -5.1650 -5.1650 -3.8618 -3.8617 1.6875 1.6880 1.9411 1.9414 2.2610 2.2610 3.6778 3.6793 4.6006 4.6007 5.2510 5.2518 5.4681 5.4684 7.2416 7.2417 7.4515 7.4539 8.0004 8.0041 9.0911 9.0917 10.1324 10.1333 10.1554 10.1561 17.1475 17.1480 17.3068 17.3075 20.8225 20.8234 21.7050 21.7057 k = 0.5000-0.0000 0.0448 ( 1522 PWs) bands (ev): -8.2652 -8.2652 -5.1738 -5.1738 -3.8448 -3.8447 1.7507 1.7512 1.9439 1.9442 2.2332 2.2332 3.7133 3.7146 4.6197 4.6198 5.1615 5.1622 5.4109 5.4111 7.2929 7.2930 7.4765 7.4785 8.0156 8.0188 9.0487 9.0492 10.1270 10.1278 10.1792 10.1797 17.1087 17.1091 17.2746 17.2752 20.8277 20.8285 21.7253 21.7259 k = 0.5000-0.0000 0.0336 ( 1522 PWs) bands (ev): -8.2716 -8.2716 -5.1807 -5.1807 -3.8315 -3.8314 1.8050 1.8054 1.9463 1.9465 2.2068 2.2069 3.7464 3.7474 4.6373 4.6373 5.0859 5.0865 5.3633 5.3635 7.3352 7.3352 7.4967 7.4982 8.0273 8.0297 9.0135 9.0139 10.1229 10.1235 10.1981 10.1984 17.0782 17.0785 17.2494 17.2498 20.8320 20.8326 21.7414 21.7418 k = 0.5000-0.0000 0.0224 ( 1522 PWs) bands (ev): -8.2762 -8.2761 -5.1856 -5.1856 -3.8219 -3.8219 1.8485 1.8488 1.9481 1.9483 2.1835 2.1836 3.7738 3.7746 4.6517 4.6517 5.0279 5.0283 5.3272 5.3273 7.3669 7.3669 7.5115 7.5126 8.0356 8.0373 8.9870 8.9872 10.1200 10.1204 10.2118 10.2120 17.0563 17.0565 17.2313 17.2315 20.8351 20.8355 21.7531 21.7534 k = 0.5000-0.0000 0.0112 ( 1522 PWs) bands (ev): -8.2789 -8.2789 -5.1885 -5.1885 -3.8162 -3.8162 1.8776 1.8778 1.9493 1.9494 2.1666 2.1666 3.7922 3.7926 4.6613 4.6613 4.9912 4.9914 5.3045 5.3045 7.3865 7.3865 7.5207 7.5213 8.0407 8.0415 8.9704 8.9705 10.1182 10.1184 10.2201 10.2202 17.0431 17.0432 17.2204 17.2205 20.8371 20.8373 21.7602 21.7604 k = 0.5000-0.0000-0.0000 ( 1522 PWs) bands (ev): -8.2798 -8.2798 -5.1895 -5.1895 -3.8143 -3.8143 1.8881 1.8881 1.9497 1.9497 2.1602 2.1602 3.7989 3.7989 4.6647 4.6647 4.9787 4.9787 5.2967 5.2967 7.3931 7.3931 7.5240 7.5240 8.0426 8.0426 8.9648 8.9648 10.1177 10.1177 10.2229 10.2229 17.0387 17.0387 17.2168 17.2168 20.8378 20.8378 21.7626 21.7626 k = 0.5000 0.4994-0.0000 ( 1532 PWs) bands (ev): -6.5222 -6.5222 -6.5220 -6.5220 -2.7774 -2.7774 -2.7773 -2.7773 2.7507 2.7507 2.7510 2.7510 4.4786 4.4786 4.4792 4.4792 5.2305 5.2305 5.2312 5.2312 6.6508 6.6508 6.6510 6.6510 8.9552 8.9552 8.9566 8.9566 11.0642 11.0642 11.0642 11.0642 19.4058 19.4058 19.4068 19.4068 20.9311 20.9311 20.9330 20.9330 k = 0.5000 0.4994 0.0112 ( 1532 PWs) bands (ev): -6.5216 -6.5216 -6.5214 -6.5214 -2.7766 -2.7766 -2.7764 -2.7764 2.7392 2.7392 2.7396 2.7396 4.4883 4.4883 4.4891 4.4891 5.2179 5.2179 5.2187 5.2187 6.6658 6.6658 6.6660 6.6660 8.9557 8.9557 8.9571 8.9571 11.0647 11.0647 11.0648 11.0648 19.4057 19.4057 19.4068 19.4068 20.9292 20.9292 20.9311 20.9311 k = 0.5000 0.4994 0.0224 ( 1532 PWs) bands (ev): -6.5198 -6.5198 -6.5196 -6.5196 -2.7740 -2.7740 -2.7739 -2.7739 2.7058 2.7058 2.7061 2.7061 4.5156 4.5156 4.5169 4.5169 5.1828 5.1828 5.1840 5.1840 6.7092 6.7092 6.7094 6.7094 8.9572 8.9572 8.9586 8.9586 11.0663 11.0663 11.0665 11.0665 19.4056 19.4056 19.4067 19.4067 20.9234 20.9234 20.9253 20.9253 k = 0.5000 0.4994 0.0336 ( 1532 PWs) bands (ev): -6.5167 -6.5167 -6.5165 -6.5165 -2.7697 -2.7697 -2.7696 -2.7696 2.6529 2.6529 2.6532 2.6532 4.5551 4.5551 4.5570 4.5570 5.1326 5.1326 5.1344 5.1344 6.7765 6.7765 6.7767 6.7767 8.9596 8.9596 8.9611 8.9611 11.0690 11.0690 11.0692 11.0692 19.4055 19.4055 19.4066 19.4066 20.9138 20.9138 20.9157 20.9157 k = 0.5000 0.4994 0.0448 ( 1532 PWs) bands (ev): -6.5124 -6.5124 -6.5122 -6.5122 -2.7637 -2.7637 -2.7636 -2.7636 2.5837 2.5837 2.5841 2.5841 4.5952 4.5952 4.5981 4.5981 5.0807 5.0807 5.0833 5.0833 6.8623 6.8623 6.8626 6.8626 8.9632 8.9632 8.9646 8.9646 11.0728 11.0728 11.0731 11.0731 19.4052 19.4052 19.4062 19.4062 20.9005 20.9005 20.9023 20.9023 k = 0.5000 0.4994 0.0560 ( 1532 PWs) bands (ev): -6.5069 -6.5069 -6.5068 -6.5068 -2.7561 -2.7561 -2.7560 -2.7560 2.5018 2.5018 2.5022 2.5022 4.6162 4.6162 4.6199 4.6199 5.0486 5.0486 5.0519 5.0519 6.9619 6.9619 6.9621 6.9621 8.9678 8.9678 8.9693 8.9693 11.0777 11.0777 11.0781 11.0781 19.4047 19.4047 19.4057 19.4057 20.8835 20.8835 20.8853 20.8853 k = 0.5000 0.4994 0.0673 ( 1532 PWs) bands (ev): -6.5003 -6.5003 -6.5001 -6.5001 -2.7467 -2.7467 -2.7466 -2.7466 2.4101 2.4101 2.4105 2.4105 4.5950 4.5950 4.5988 4.5988 5.0607 5.0607 5.0641 5.0641 7.0712 7.0712 7.0715 7.0715 8.9735 8.9735 8.9750 8.9750 11.0837 11.0837 11.0842 11.0842 19.4040 19.4040 19.4050 19.4050 20.8629 20.8629 20.8647 20.8647 k = 0.5000 0.4994 0.0785 ( 1532 PWs) bands (ev): -6.4925 -6.4925 -6.4923 -6.4923 -2.7357 -2.7357 -2.7356 -2.7356 2.3112 2.3112 2.3115 2.3115 4.5296 4.5296 4.5329 4.5329 5.1193 5.1193 5.1222 5.1222 7.1872 7.1872 7.1875 7.1875 8.9804 8.9804 8.9820 8.9820 11.0908 11.0908 11.0915 11.0915 19.4030 19.4030 19.4040 19.4040 20.8389 20.8389 20.8407 20.8407 k = 0.5000 0.4994 0.0897 ( 1524 PWs) bands (ev): -6.4835 -6.4835 -6.4833 -6.4833 -2.7231 -2.7231 -2.7230 -2.7230 2.2070 2.2070 2.2074 2.2074 4.4361 4.4361 4.4389 4.4389 5.2079 5.2079 5.2101 5.2101 7.3079 7.3079 7.3082 7.3082 8.9885 8.9885 8.9902 8.9902 11.0991 11.0991 11.0999 11.0999 19.4017 19.4017 19.4026 19.4026 20.8117 20.8117 20.8134 20.8134 k = 0.5000 0.4994 0.1009 ( 1524 PWs) bands (ev): -6.4734 -6.4734 -6.4732 -6.4732 -2.7089 -2.7089 -2.7087 -2.7087 2.0993 2.0993 2.0996 2.0996 4.3275 4.3275 4.3299 4.3299 5.3129 5.3129 5.3147 5.3147 7.4312 7.4312 7.4315 7.4315 8.9981 8.9981 8.9998 8.9998 11.1086 11.1086 11.1094 11.1094 19.3999 19.3999 19.4007 19.4007 20.7813 20.7813 20.7830 20.7830 k = 0.5000 0.4994 0.1121 ( 1532 PWs) bands (ev): -6.4623 -6.4623 -6.4621 -6.4621 -2.6931 -2.6931 -2.6929 -2.6929 1.9890 1.9890 1.9894 1.9894 4.2106 4.2106 4.2127 4.2127 5.4275 5.4275 5.4290 5.4290 7.5559 7.5559 7.5562 7.5562 9.0092 9.0092 9.0110 9.0110 11.1192 11.1192 11.1202 11.1202 19.3974 19.3974 19.3982 19.3982 20.7480 20.7480 20.7496 20.7496 k = 0.5000 0.4994 0.1233 ( 1544 PWs) bands (ev): -6.4500 -6.4500 -6.4499 -6.4499 -2.6757 -2.6757 -2.6756 -2.6756 1.8774 1.8774 1.8777 1.8777 4.0890 4.0890 4.0908 4.0908 5.5480 5.5480 5.5492 5.5492 7.6808 7.6808 7.6812 7.6812 9.0220 9.0220 9.0240 9.0240 11.1311 11.1311 11.1321 11.1321 19.3941 19.3941 19.3948 19.3948 20.7121 20.7121 20.7136 20.7136 k = 0.5000 0.4994 0.1345 ( 1544 PWs) bands (ev): -6.4368 -6.4368 -6.4366 -6.4366 -2.6568 -2.6568 -2.6567 -2.6567 1.7652 1.7652 1.7655 1.7655 3.9646 3.9646 3.9663 3.9663 5.6723 5.6723 5.6733 5.6733 7.8050 7.8050 7.8054 7.8054 9.0369 9.0369 9.0389 9.0389 11.1441 11.1441 11.1453 11.1453 19.3900 19.3900 19.3906 19.3906 20.6738 20.6738 20.6753 20.6753 k = 0.5000 0.4994 0.1457 ( 1544 PWs) bands (ev): -6.4226 -6.4226 -6.4224 -6.4224 -2.6365 -2.6365 -2.6363 -2.6363 1.6529 1.6529 1.6532 1.6532 3.8388 3.8388 3.8403 3.8403 5.7988 5.7988 5.7997 5.7997 7.9274 7.9274 7.9279 7.9279 9.0541 9.0541 9.0563 9.0563 11.1585 11.1585 11.1597 11.1597 19.3848 19.3848 19.3853 19.3853 20.6334 20.6334 20.6349 20.6349 k = 0.5000 0.4994 0.1569 ( 1544 PWs) bands (ev): -6.4075 -6.4075 -6.4073 -6.4073 -2.6147 -2.6147 -2.6145 -2.6145 1.5412 1.5412 1.5415 1.5415 3.7123 3.7123 3.7137 3.7137 5.9266 5.9266 5.9274 5.9274 8.0471 8.0471 8.0476 8.0476 9.0742 9.0742 9.0765 9.0765 11.1741 11.1741 11.1755 11.1755 19.3783 19.3783 19.3787 19.3787 20.5913 20.5913 20.5928 20.5928 k = 0.5000 0.4994 0.1681 ( 1544 PWs) bands (ev): -6.3915 -6.3915 -6.3913 -6.3913 -2.5915 -2.5915 -2.5914 -2.5914 1.4304 1.4304 1.4307 1.4307 3.5857 3.5857 3.5871 3.5871 6.0550 6.0550 6.0556 6.0556 8.1630 8.1630 8.1635 8.1635 9.0976 9.0976 9.1000 9.1000 11.1911 11.1911 11.1926 11.1926 19.3704 19.3704 19.3707 19.3707 20.5478 20.5478 20.5493 20.5493 k = 0.5000 0.4994 0.1794 ( 1536 PWs) bands (ev): -6.3747 -6.3747 -6.3745 -6.3745 -2.5671 -2.5671 -2.5669 -2.5669 1.3210 1.3210 1.3212 1.3212 3.4595 3.4595 3.4608 3.4608 6.1831 6.1831 6.1838 6.1838 8.2739 8.2739 8.2744 8.2744 9.1251 9.1251 9.1277 9.1277 11.2094 11.2094 11.2110 11.2110 19.3607 19.3607 19.3609 19.3609 20.5032 20.5032 20.5048 20.5048 k = 0.5000 0.4994 0.1906 ( 1540 PWs) bands (ev): -6.3571 -6.3571 -6.3569 -6.3569 -2.5414 -2.5414 -2.5412 -2.5412 1.2131 1.2131 1.2134 1.2134 3.3340 3.3340 3.3353 3.3353 6.3106 6.3106 6.3112 6.3112 8.3785 8.3785 8.3791 8.3791 9.1577 9.1577 9.1604 9.1604 11.2291 11.2291 11.2308 11.2308 19.3490 19.3490 19.3492 19.3492 20.4579 20.4579 20.4597 20.4597 k = 0.5000 0.4994 0.2018 ( 1544 PWs) bands (ev): -6.3388 -6.3388 -6.3387 -6.3387 -2.5146 -2.5146 -2.5144 -2.5144 1.1073 1.1073 1.1076 1.1076 3.2096 3.2096 3.2108 3.2108 6.4368 6.4368 6.4374 6.4374 8.4756 8.4756 8.4762 8.4762 9.1962 9.1962 9.1990 9.1990 11.2502 11.2502 11.2520 11.2520 19.3351 19.3351 19.3354 19.3354 20.4124 20.4124 20.4143 20.4143 k = 0.5000 0.4994 0.2130 ( 1544 PWs) bands (ev): -6.3200 -6.3200 -6.3198 -6.3198 -2.4866 -2.4866 -2.4864 -2.4864 1.0037 1.0037 1.0040 1.0040 3.0864 3.0864 3.0876 3.0876 6.5613 6.5613 6.5620 6.5620 8.5639 8.5639 8.5646 8.5646 9.2415 9.2415 9.2445 9.2445 11.2728 11.2728 11.2748 11.2748 19.3187 19.3187 19.3192 19.3192 20.3671 20.3671 20.3693 20.3693 k = 0.5000 0.4994 0.2242 ( 1540 PWs) bands (ev): -6.3005 -6.3005 -6.3004 -6.3004 -2.4577 -2.4577 -2.4575 -2.4575 0.9027 0.9027 0.9029 0.9029 2.9648 2.9648 2.9660 2.9660 6.6838 6.6838 6.6845 6.6845 8.6425 8.6425 8.6434 8.6434 9.2943 9.2943 9.2973 9.2973 11.2968 11.2968 11.2989 11.2989 19.2997 19.2997 19.3003 19.3003 20.3226 20.3226 20.3250 20.3250 k = 0.5000 0.4994 0.2354 ( 1540 PWs) bands (ev): -6.2807 -6.2807 -6.2805 -6.2805 -2.4280 -2.4280 -2.4277 -2.4277 0.8043 0.8043 0.8046 0.8046 2.8450 2.8450 2.8461 2.8461 6.8037 6.8037 6.8045 6.8045 8.7111 8.7111 8.7122 8.7122 9.3544 9.3544 9.3574 9.3574 11.3223 11.3223 11.3246 11.3246 19.2779 19.2779 19.2787 19.2787 20.2791 20.2791 20.2817 20.2817 k = 0.5000 0.4994 0.2466 ( 1540 PWs) bands (ev): -6.2604 -6.2604 -6.2602 -6.2602 -2.3974 -2.3974 -2.3972 -2.3972 0.7090 0.7090 0.7092 0.7092 2.7270 2.7270 2.7282 2.7282 6.9207 6.9207 6.9216 6.9216 8.7703 8.7703 8.7716 8.7716 9.4210 9.4210 9.4240 9.4240 11.3494 11.3494 11.3518 11.3518 19.2531 19.2531 19.2541 19.2541 20.2370 20.2370 20.2400 20.2400 k = 0.5000 0.4994 0.2578 ( 1536 PWs) bands (ev): -6.2399 -6.2399 -6.2397 -6.2397 -2.3663 -2.3663 -2.3660 -2.3660 0.6168 0.6168 0.6171 0.6171 2.6112 2.6112 2.6123 2.6123 7.0345 7.0345 7.0355 7.0355 8.8213 8.8213 8.8228 8.8228 9.4927 9.4927 9.4957 9.4957 11.3778 11.3778 11.3804 11.3804 19.2252 19.2252 19.2264 19.2264 20.1968 20.1968 20.2000 20.2000 k = 0.5000 0.4994 0.2690 ( 1544 PWs) bands (ev): -6.2191 -6.2191 -6.2190 -6.2190 -2.3347 -2.3347 -2.3344 -2.3344 0.5280 0.5280 0.5283 0.5283 2.4977 2.4977 2.4988 2.4988 7.1444 7.1444 7.1455 7.1455 8.8653 8.8653 8.8671 8.8671 9.5678 9.5678 9.5707 9.5707 11.4077 11.4077 11.4104 11.4104 19.1943 19.1943 19.1957 19.1957 20.1586 20.1586 20.1621 20.1621 k = 0.5000 0.4994 0.2802 ( 1544 PWs) bands (ev): -6.1983 -6.1983 -6.1982 -6.1982 -2.3028 -2.3028 -2.3025 -2.3025 0.4430 0.4430 0.4432 0.4432 2.3867 2.3867 2.3878 2.3878 7.2503 7.2503 7.2516 7.2516 8.9040 8.9040 8.9061 8.9061 9.6445 9.6445 9.6473 9.6473 11.4390 11.4390 11.4418 11.4418 19.1607 19.1607 19.1622 19.1622 20.1228 20.1228 20.1266 20.1266 k = 0.5000 0.4994 0.2914 ( 1544 PWs) bands (ev): -6.1775 -6.1775 -6.1774 -6.1774 -2.2707 -2.2707 -2.2704 -2.2704 0.3618 0.3618 0.3620 0.3620 2.2785 2.2785 2.2796 2.2796 7.3518 7.3518 7.3532 7.3532 8.9387 8.9387 8.9411 8.9411 9.7213 9.7213 9.7240 9.7240 11.4715 11.4715 11.4744 11.4744 19.1244 19.1244 19.1260 19.1260 20.0895 20.0895 20.0934 20.0934 k = 0.5000 0.4994 0.3027 ( 1544 PWs) bands (ev): -6.1569 -6.1569 -6.1567 -6.1567 -2.2386 -2.2386 -2.2383 -2.2383 0.2846 0.2846 0.2849 0.2849 2.1732 2.1732 2.1743 2.1743 7.4484 7.4484 7.4500 7.4500 8.9704 8.9704 8.9732 8.9732 9.7969 9.7969 9.7996 9.7996 11.5050 11.5050 11.5081 11.5081 19.0858 19.0858 19.0876 19.0876 20.0586 20.0586 20.0628 20.0628 k = 0.5000 0.4994 0.3139 ( 1528 PWs) bands (ev): -6.1365 -6.1365 -6.1363 -6.1363 -2.2068 -2.2068 -2.2064 -2.2064 0.2118 0.2118 0.2121 0.2121 2.0710 2.0710 2.0721 2.0721 7.5401 7.5401 7.5418 7.5418 9.0000 9.0000 9.0030 9.0030 9.8704 9.8704 9.8730 9.8730 11.5395 11.5395 11.5427 11.5427 19.0454 19.0454 19.0473 19.0473 20.0303 20.0303 20.0347 20.0347 k = 0.5000 0.4994 0.3251 ( 1524 PWs) bands (ev): -6.1164 -6.1164 -6.1163 -6.1163 -2.1754 -2.1754 -2.1751 -2.1751 0.1434 0.1434 0.1437 0.1437 1.9723 1.9723 1.9734 1.9734 7.6263 7.6263 7.6282 7.6282 9.0279 9.0279 9.0313 9.0313 9.9410 9.9410 9.9435 9.9435 11.5747 11.5747 11.5779 11.5779 19.0036 19.0036 19.0055 19.0055 20.0042 20.0042 20.0088 20.0088 k = 0.5000 0.4994 0.3363 ( 1524 PWs) bands (ev): -6.0969 -6.0969 -6.0967 -6.0967 -2.1447 -2.1447 -2.1444 -2.1444 0.0796 0.0796 0.0799 0.0799 1.8772 1.8772 1.8784 1.8784 7.7068 7.7068 7.7090 7.7090 9.0546 9.0546 9.0583 9.0583 10.0080 10.0080 10.0105 10.0105 11.6102 11.6102 11.6135 11.6135 18.9609 18.9609 18.9629 18.9629 19.9804 19.9804 19.9851 19.9851 k = 0.5000 0.4994 0.3475 ( 1524 PWs) bands (ev): -6.0780 -6.0780 -6.0778 -6.0778 -2.1150 -2.1150 -2.1146 -2.1146 0.0207 0.0207 0.0209 0.0209 1.7861 1.7861 1.7872 1.7872 7.7816 7.7816 7.7839 7.7839 9.0803 9.0803 9.0843 9.0843 10.0712 10.0712 10.0736 10.0736 11.6458 11.6458 11.6492 11.6492 18.9179 18.9179 18.9200 18.9200 19.9588 19.9588 19.9636 19.9636 k = 0.5000 0.4994 0.3587 ( 1520 PWs) bands (ev): -6.0598 -6.0598 -6.0596 -6.0596 -2.0865 -2.0865 -2.0861 -2.0861 -0.0334 -0.0334 -0.0331 -0.0331 1.6992 1.6992 1.7004 1.7004 7.8504 7.8504 7.8529 7.8529 9.1051 9.1051 9.1095 9.1095 10.1302 10.1302 10.1326 10.1326 11.6810 11.6810 11.6845 11.6845 18.8754 18.8754 18.8775 18.8775 19.9391 19.9391 19.9440 19.9440 k = 0.5000 0.4994 0.3699 ( 1512 PWs) bands (ev): -6.0425 -6.0425 -6.0423 -6.0423 -2.0593 -2.0593 -2.0589 -2.0589 -0.0824 -0.0824 -0.0821 -0.0821 1.6170 1.6170 1.6181 1.6181 7.9131 7.9131 7.9158 7.9158 9.1291 9.1291 9.1337 9.1337 10.1849 10.1849 10.1871 10.1871 11.7156 11.7156 11.7191 11.7191 18.8337 18.8337 18.8358 18.8358 19.9215 19.9215 19.9265 19.9265 k = 0.5000 0.4994 0.3811 ( 1512 PWs) bands (ev): -6.0262 -6.0262 -6.0260 -6.0260 -2.0338 -2.0338 -2.0334 -2.0334 -0.1264 -0.1264 -0.1261 -0.1261 1.5397 1.5397 1.5408 1.5408 7.9698 7.9698 7.9727 7.9727 9.1520 9.1520 9.1570 9.1570 10.2350 10.2350 10.2372 10.2372 11.7489 11.7489 11.7526 11.7526 18.7936 18.7936 18.7957 18.7957 19.9055 19.9055 19.9105 19.9105 k = 0.5000 0.4994 0.3923 ( 1512 PWs) bands (ev): -6.0110 -6.0110 -6.0108 -6.0108 -2.0101 -2.0101 -2.0097 -2.0097 -0.1653 -0.1653 -0.1650 -0.1650 1.4677 1.4677 1.4689 1.4689 8.0204 8.0204 8.0234 8.0234 9.1739 9.1739 9.1791 9.1791 10.2805 10.2805 10.2826 10.2826 11.7808 11.7808 11.7844 11.7844 18.7554 18.7554 18.7575 18.7575 19.8912 19.8912 19.8962 19.8962 k = 0.5000 0.4994 0.4035 ( 1512 PWs) bands (ev): -5.9970 -5.9970 -5.9968 -5.9968 -1.9886 -1.9886 -1.9881 -1.9881 -0.1992 -0.1992 -0.1990 -0.1990 1.4015 1.4015 1.4027 1.4027 8.0651 8.0651 8.0683 8.0683 9.1944 9.1944 9.1999 9.1999 10.3213 10.3213 10.3233 10.3233 11.8106 11.8106 11.8143 11.8143 18.7198 18.7198 18.7219 18.7219 19.8785 19.8785 19.8836 19.8836 k = 0.5000 0.4994 0.4148 ( 1512 PWs) bands (ev): -5.9844 -5.9844 -5.9842 -5.9842 -1.9692 -1.9692 -1.9688 -1.9688 -0.2282 -0.2282 -0.2280 -0.2280 1.3416 1.3416 1.3428 1.3428 8.1039 8.1039 8.1072 8.1072 9.2134 9.2134 9.2191 9.2191 10.3574 10.3574 10.3594 10.3594 11.8381 11.8381 11.8418 11.8418 18.6872 18.6872 18.6892 18.6892 19.8673 19.8673 19.8725 19.8725 k = 0.5000 0.4994 0.4260 ( 1520 PWs) bands (ev): -5.9732 -5.9732 -5.9731 -5.9731 -1.9523 -1.9523 -1.9518 -1.9518 -0.2526 -0.2526 -0.2524 -0.2524 1.2883 1.2883 1.2895 1.2895 8.1370 8.1370 8.1405 8.1405 9.2305 9.2305 9.2364 9.2364 10.3888 10.3888 10.3907 10.3907 11.8627 11.8627 11.8664 11.8664 18.6580 18.6580 18.6600 18.6600 19.8577 19.8577 19.8628 19.8628 k = 0.5000 0.4994 0.4372 ( 1528 PWs) bands (ev): -5.9636 -5.9636 -5.9634 -5.9634 -1.9378 -1.9378 -1.9374 -1.9374 -0.2726 -0.2726 -0.2724 -0.2724 1.2422 1.2422 1.2435 1.2435 8.1646 8.1646 8.1682 8.1682 9.2455 9.2455 9.2516 9.2516 10.4153 10.4153 10.4172 10.4172 11.8842 11.8842 11.8879 11.8879 18.6326 18.6326 18.6346 18.6346 19.8495 19.8495 19.8547 19.8547 k = 0.5000 0.4994 0.4484 ( 1532 PWs) bands (ev): -5.9556 -5.9556 -5.9555 -5.9555 -1.9259 -1.9259 -1.9255 -1.9255 -0.2883 -0.2883 -0.2882 -0.2882 1.2038 1.2038 1.2050 1.2050 8.1869 8.1869 8.1906 8.1906 9.2582 9.2582 9.2644 9.2644 10.4371 10.4371 10.4389 10.4389 11.9022 11.9022 11.9060 11.9060 18.6114 18.6114 18.6134 18.6134 19.8428 19.8428 19.8480 19.8480 k = 0.5000 0.4994 0.4596 ( 1532 PWs) bands (ev): -5.9493 -5.9493 -5.9492 -5.9492 -1.9167 -1.9167 -1.9162 -1.9162 -0.3002 -0.3002 -0.3001 -0.3001 1.1733 1.1733 1.1746 1.1746 8.2041 8.2041 8.2079 8.2079 9.2683 9.2683 9.2746 9.2746 10.4541 10.4541 10.4558 10.4558 11.9165 11.9165 11.9203 11.9203 18.5946 18.5946 18.5966 18.5966 19.8376 19.8376 19.8428 19.8428 k = 0.5000 0.4994 0.4708 ( 1532 PWs) bands (ev): -5.9448 -5.9448 -5.9446 -5.9446 -1.9100 -1.9100 -1.9096 -1.9096 -0.3084 -0.3084 -0.3084 -0.3084 1.1513 1.1513 1.1526 1.1526 8.2163 8.2163 8.2201 8.2201 9.2757 9.2757 9.2821 9.2821 10.4662 10.4662 10.4679 10.4679 11.9269 11.9269 11.9307 11.9307 18.5824 18.5824 18.5844 18.5844 19.8340 19.8340 19.8391 19.8391 k = 0.5000 0.4994 0.4820 ( 1532 PWs) bands (ev): -5.9420 -5.9420 -5.9419 -5.9419 -1.9060 -1.9060 -1.9056 -1.9056 -0.3133 -0.3133 -0.3132 -0.3132 1.1380 1.1380 1.1393 1.1393 8.2236 8.2236 8.2274 8.2274 9.2801 9.2801 9.2866 9.2866 10.4735 10.4735 10.4752 10.4752 11.9332 11.9332 11.9370 11.9370 18.5751 18.5751 18.5771 18.5771 19.8317 19.8317 19.8369 19.8369 k = 0.5000 0.4994 0.4932 ( 1528 PWs) bands (ev): -5.9411 -5.9411 -5.9410 -5.9410 -1.9047 -1.9047 -1.9042 -1.9042 -0.3149 -0.3149 -0.3149 -0.3149 1.1335 1.1335 1.1348 1.1348 8.2261 8.2261 8.2299 8.2299 9.2817 9.2817 9.2881 9.2881 10.4759 10.4759 10.4776 10.4776 11.9353 11.9353 11.9391 11.9391 18.5726 18.5726 18.5746 18.5746 19.8310 19.8310 19.8362 19.8362 Writing output data file BC2N.save init_run : 1.58s CPU 11.46s WALL ( 1 calls) electrons : 437.34s CPU 444.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.31s CPU 1.45s WALL ( 1 calls) Called by electrons: c_bands : 437.21s CPU 444.03s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.93s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.54s WALL ( 1 calls) newd : 0.17s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.09s WALL ( 548 calls) cegterg : 401.77s CPU 405.11s WALL ( 1086 calls) Called by sum_band: Called by *egterg: h_psi : 160.73s CPU 169.25s WALL ( 18085 calls) s_psi : 10.55s CPU 11.99s WALL ( 18085 calls) g_psi : 0.19s CPU 0.28s WALL ( 16451 calls) cdiaghg : 176.12s CPU 173.56s WALL ( 16999 calls) cegterg:over : 35.54s CPU 31.38s WALL ( 16451 calls) cegterg:upda : 1.79s CPU 4.43s WALL ( 16451 calls) cegterg:last : 2.41s CPU 3.35s WALL ( 2730 calls) Called by h_psi: h_psi:vloc : 124.38s CPU 133.02s WALL ( 18085 calls) h_psi:vnl : 36.24s CPU 35.83s WALL ( 18085 calls) add_vuspsi : 5.79s CPU 9.64s WALL ( 18085 calls) General routines calbec : 30.42s CPU 26.07s WALL ( 18085 calls) fft : 0.39s CPU 1.25s WALL ( 19 calls) ffts : 0.09s CPU 0.10s WALL ( 4 calls) fftw : 119.36s CPU 127.43s WALL ( 1328804 calls) interpolate : 0.11s CPU 0.13s WALL ( 4 calls) davcio : 0.02s CPU 0.82s WALL ( 1096 calls) Parallel routines fft_scatter : 85.60s CPU 92.58s WALL ( 1328827 calls) PWSCF : 8m12.30s CPU 9m33.64s WALL This run was terminated on: 7:39: 6 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=