Program PWSCF v.5.1.1 starts on 7Oct2015 at 23:36:46 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: ./B2AsP.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 20 10 3 678 253 43 Max 21 11 4 685 271 48 Sum 973 517 161 32613 12545 2173 bravais-lattice index = 14 lattice parameter (alat) = 6.1473 a.u. unit-cell volume = 328.4902 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.147279 celldm(2)= 1.000000 celldm(3)= 1.414079 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.414079 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.707174 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 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 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. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) B 3.00 10.81100 B( 1.00) P 5.00 30.97380 P( 1.00) 8 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 448 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( 0.0000000 0.0102041 -0.0000000), wk = 0.0022321 k( 3) = ( 0.0000000 0.0204082 -0.0000000), wk = 0.0022321 k( 4) = ( 0.0000000 0.0306122 -0.0000000), wk = 0.0022321 k( 5) = ( 0.0000000 0.0408163 -0.0000000), wk = 0.0022321 k( 6) = ( 0.0000000 0.0510204 -0.0000000), wk = 0.0022321 k( 7) = ( 0.0000000 0.0612245 -0.0000000), wk = 0.0022321 k( 8) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0022321 k( 9) = ( 0.0000000 0.0816327 -0.0000000), wk = 0.0022321 k( 10) = ( 0.0000000 0.0918367 -0.0000000), wk = 0.0022321 k( 11) = ( 0.0000000 0.1020408 -0.0000000), wk = 0.0022321 k( 12) = ( 0.0000000 0.1122449 -0.0000000), wk = 0.0022321 k( 13) = ( 0.0000000 0.1224490 -0.0000000), wk = 0.0022321 k( 14) = ( 0.0000000 0.1326531 -0.0000000), wk = 0.0022321 k( 15) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0022321 k( 16) = ( 0.0000000 0.1530612 -0.0000000), wk = 0.0022321 k( 17) = ( 0.0000000 0.1632653 -0.0000000), wk = 0.0022321 k( 18) = ( 0.0000000 0.1734694 -0.0000000), wk = 0.0022321 k( 19) = ( 0.0000000 0.1836735 -0.0000000), wk = 0.0022321 k( 20) = ( 0.0000000 0.1938776 -0.0000000), wk = 0.0022321 k( 21) = ( 0.0000000 0.2040816 -0.0000000), wk = 0.0022321 k( 22) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0022321 k( 23) = ( 0.0000000 0.2244898 -0.0000000), wk = 0.0022321 k( 24) = ( 0.0000000 0.2346939 -0.0000000), wk = 0.0022321 k( 25) = ( 0.0000000 0.2448980 -0.0000000), wk = 0.0022321 k( 26) = ( 0.0000000 0.2551020 -0.0000000), wk = 0.0022321 k( 27) = ( 0.0000000 0.2653061 -0.0000000), wk = 0.0022321 k( 28) = ( 0.0000000 0.2755102 -0.0000000), wk = 0.0022321 k( 29) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0022321 k( 30) = ( 0.0000000 0.2959184 -0.0000000), wk = 0.0022321 k( 31) = ( 0.0000000 0.3061224 -0.0000000), wk = 0.0022321 k( 32) = ( 0.0000000 0.3163265 -0.0000000), wk = 0.0022321 k( 33) = ( 0.0000000 0.3265306 -0.0000000), wk = 0.0022321 k( 34) = ( 0.0000000 0.3367347 -0.0000000), wk = 0.0022321 k( 35) = ( 0.0000000 0.3469388 -0.0000000), wk = 0.0022321 k( 36) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0022321 k( 37) = ( 0.0000000 0.3673469 -0.0000000), wk = 0.0022321 k( 38) = ( 0.0000000 0.3775510 -0.0000000), wk = 0.0022321 k( 39) = ( 0.0000000 0.3877551 -0.0000000), wk = 0.0022321 k( 40) = ( 0.0000000 0.3979592 -0.0000000), wk = 0.0022321 k( 41) = ( 0.0000000 0.4081633 -0.0000000), wk = 0.0022321 k( 42) = ( 0.0000000 0.4183674 -0.0000000), wk = 0.0022321 k( 43) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0022321 k( 44) = ( 0.0000000 0.4387755 -0.0000000), wk = 0.0022321 k( 45) = ( 0.0000000 0.4489796 -0.0000000), wk = 0.0022321 k( 46) = ( 0.0000000 0.4591837 -0.0000000), wk = 0.0022321 k( 47) = ( 0.0000000 0.4693878 -0.0000000), wk = 0.0022321 k( 48) = ( 0.0000000 0.4795918 -0.0000000), wk = 0.0022321 k( 49) = ( 0.0000000 0.4897959 -0.0000000), wk = 0.0022321 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022321 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022321 k( 52) = ( 0.0102041 0.5000000 -0.0000000), wk = 0.0022321 k( 53) = ( 0.0204082 0.5000000 -0.0000000), wk = 0.0022321 k( 54) = ( 0.0306122 0.5000000 -0.0000000), wk = 0.0022321 k( 55) = ( 0.0408163 0.5000000 -0.0000000), wk = 0.0022321 k( 56) = ( 0.0510204 0.5000000 -0.0000000), wk = 0.0022321 k( 57) = ( 0.0612245 0.5000000 -0.0000000), wk = 0.0022321 k( 58) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0022321 k( 59) = ( 0.0816327 0.5000000 -0.0000000), wk = 0.0022321 k( 60) = ( 0.0918367 0.5000000 -0.0000000), wk = 0.0022321 k( 61) = ( 0.1020408 0.5000000 -0.0000000), wk = 0.0022321 k( 62) = ( 0.1122449 0.5000000 -0.0000000), wk = 0.0022321 k( 63) = ( 0.1224490 0.5000000 -0.0000000), wk = 0.0022321 k( 64) = ( 0.1326531 0.5000000 -0.0000000), wk = 0.0022321 k( 65) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0022321 k( 66) = ( 0.1530612 0.5000000 -0.0000000), wk = 0.0022321 k( 67) = ( 0.1632653 0.5000000 -0.0000000), wk = 0.0022321 k( 68) = ( 0.1734694 0.5000000 -0.0000000), wk = 0.0022321 k( 69) = ( 0.1836735 0.5000000 -0.0000000), wk = 0.0022321 k( 70) = ( 0.1938776 0.5000000 -0.0000000), wk = 0.0022321 k( 71) = ( 0.2040816 0.5000000 -0.0000000), wk = 0.0022321 k( 72) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0022321 k( 73) = ( 0.2244898 0.5000000 -0.0000000), wk = 0.0022321 k( 74) = ( 0.2346939 0.5000000 -0.0000000), wk = 0.0022321 k( 75) = ( 0.2448980 0.5000000 -0.0000000), wk = 0.0022321 k( 76) = ( 0.2551020 0.5000000 -0.0000000), wk = 0.0022321 k( 77) = ( 0.2653061 0.5000000 -0.0000000), wk = 0.0022321 k( 78) = ( 0.2755102 0.5000000 -0.0000000), wk = 0.0022321 k( 79) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0022321 k( 80) = ( 0.2959184 0.5000000 -0.0000000), wk = 0.0022321 k( 81) = ( 0.3061224 0.5000000 -0.0000000), wk = 0.0022321 k( 82) = ( 0.3163265 0.5000000 -0.0000000), wk = 0.0022321 k( 83) = ( 0.3265306 0.5000000 -0.0000000), wk = 0.0022321 k( 84) = ( 0.3367347 0.5000000 -0.0000000), wk = 0.0022321 k( 85) = ( 0.3469388 0.5000000 -0.0000000), wk = 0.0022321 k( 86) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0022321 k( 87) = ( 0.3673469 0.5000000 -0.0000000), wk = 0.0022321 k( 88) = ( 0.3775510 0.5000000 -0.0000000), wk = 0.0022321 k( 89) = ( 0.3877551 0.5000000 -0.0000000), wk = 0.0022321 k( 90) = ( 0.3979592 0.5000000 -0.0000000), wk = 0.0022321 k( 91) = ( 0.4081633 0.5000000 -0.0000000), wk = 0.0022321 k( 92) = ( 0.4183674 0.5000000 -0.0000000), wk = 0.0022321 k( 93) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0022321 k( 94) = ( 0.4387755 0.5000000 -0.0000000), wk = 0.0022321 k( 95) = ( 0.4489796 0.5000000 -0.0000000), wk = 0.0022321 k( 96) = ( 0.4591837 0.5000000 -0.0000000), wk = 0.0022321 k( 97) = ( 0.4693878 0.5000000 -0.0000000), wk = 0.0022321 k( 98) = ( 0.4795918 0.5000000 -0.0000000), wk = 0.0022321 k( 99) = ( 0.4897959 0.5000000 -0.0000000), wk = 0.0022321 k( 100) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022321 k( 101) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022321 k( 102) = ( 0.4927536 0.4927536 -0.0000000), wk = 0.0022321 k( 103) = ( 0.4855073 0.4855072 -0.0000000), wk = 0.0022321 k( 104) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0022321 k( 105) = ( 0.4710145 0.4710145 -0.0000000), wk = 0.0022321 k( 106) = ( 0.4637681 0.4637681 -0.0000000), wk = 0.0022321 k( 107) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0022321 k( 108) = ( 0.4492754 0.4492754 -0.0000000), wk = 0.0022321 k( 109) = ( 0.4420290 0.4420290 -0.0000000), wk = 0.0022321 k( 110) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0022321 k( 111) = ( 0.4275362 0.4275362 -0.0000000), wk = 0.0022321 k( 112) = ( 0.4202899 0.4202899 -0.0000000), wk = 0.0022321 k( 113) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0022321 k( 114) = ( 0.4057971 0.4057971 -0.0000000), wk = 0.0022321 k( 115) = ( 0.3985507 0.3985507 -0.0000000), wk = 0.0022321 k( 116) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0022321 k( 117) = ( 0.3840580 0.3840580 -0.0000000), wk = 0.0022321 k( 118) = ( 0.3768116 0.3768116 -0.0000000), wk = 0.0022321 k( 119) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0022321 k( 120) = ( 0.3623188 0.3623188 -0.0000000), wk = 0.0022321 k( 121) = ( 0.3550725 0.3550725 -0.0000000), wk = 0.0022321 k( 122) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0022321 k( 123) = ( 0.3405797 0.3405797 -0.0000000), wk = 0.0022321 k( 124) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022321 k( 125) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0022321 k( 126) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0022321 k( 127) = ( 0.3115942 0.3115942 -0.0000000), wk = 0.0022321 k( 128) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0022321 k( 129) = ( 0.2971014 0.2971014 -0.0000000), wk = 0.0022321 k( 130) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0022321 k( 131) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0022321 k( 132) = ( 0.2753623 0.2753623 -0.0000000), wk = 0.0022321 k( 133) = ( 0.2681159 0.2681159 -0.0000000), wk = 0.0022321 k( 134) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0022321 k( 135) = ( 0.2536232 0.2536232 -0.0000000), wk = 0.0022321 k( 136) = ( 0.2463768 0.2463768 -0.0000000), wk = 0.0022321 k( 137) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0022321 k( 138) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0022321 k( 139) = ( 0.2246377 0.2246377 -0.0000000), wk = 0.0022321 k( 140) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0022321 k( 141) = ( 0.2101449 0.2101449 -0.0000000), wk = 0.0022321 k( 142) = ( 0.2028986 0.2028985 -0.0000000), wk = 0.0022321 k( 143) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0022321 k( 144) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0022321 k( 145) = ( 0.1811594 0.1811594 -0.0000000), wk = 0.0022321 k( 146) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0022321 k( 147) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0022321 k( 148) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0022321 k( 149) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0022321 k( 150) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0022321 k( 151) = ( 0.1376812 0.1376812 -0.0000000), wk = 0.0022321 k( 152) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0022321 k( 153) = ( 0.1231884 0.1231884 -0.0000000), wk = 0.0022321 k( 154) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0022321 k( 155) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0022321 k( 156) = ( 0.1014493 0.1014493 -0.0000000), wk = 0.0022321 k( 157) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0022321 k( 158) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0022321 k( 159) = ( 0.0797101 0.0797101 -0.0000000), wk = 0.0022321 k( 160) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0022321 k( 161) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0022321 k( 162) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0022321 k( 163) = ( 0.0507246 0.0507246 -0.0000000), wk = 0.0022321 k( 164) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0022321 k( 165) = ( 0.0362319 0.0362319 -0.0000000), wk = 0.0022321 k( 166) = ( 0.0289855 0.0289855 -0.0000000), wk = 0.0022321 k( 167) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0022321 k( 168) = ( 0.0144928 0.0144927 -0.0000000), wk = 0.0022321 k( 169) = ( 0.0072464 0.0072464 -0.0000000), wk = 0.0022321 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 172) = ( 0.0000000 0.0000000 0.0101025), wk = 0.0022321 k( 173) = ( 0.0000000 0.0000000 0.0202050), wk = 0.0022321 k( 174) = ( 0.0000000 0.0000000 0.0303075), wk = 0.0022321 k( 175) = ( 0.0000000 0.0000000 0.0404099), wk = 0.0022321 k( 176) = ( 0.0000000 0.0000000 0.0505124), wk = 0.0022321 k( 177) = ( 0.0000000 0.0000000 0.0606149), wk = 0.0022321 k( 178) = ( 0.0000000 0.0000000 0.0707174), wk = 0.0022321 k( 179) = ( 0.0000000 0.0000000 0.0808199), wk = 0.0022321 k( 180) = ( 0.0000000 0.0000000 0.0909224), wk = 0.0022321 k( 181) = ( 0.0000000 0.0000000 0.1010248), wk = 0.0022321 k( 182) = ( 0.0000000 0.0000000 0.1111273), wk = 0.0022321 k( 183) = ( 0.0000000 0.0000000 0.1212298), wk = 0.0022321 k( 184) = ( 0.0000000 0.0000000 0.1313323), wk = 0.0022321 k( 185) = ( 0.0000000 0.0000000 0.1414348), wk = 0.0022321 k( 186) = ( 0.0000000 0.0000000 0.1515373), wk = 0.0022321 k( 187) = ( 0.0000000 0.0000000 0.1616398), wk = 0.0022321 k( 188) = ( 0.0000000 0.0000000 0.1717422), wk = 0.0022321 k( 189) = ( 0.0000000 0.0000000 0.1818447), wk = 0.0022321 k( 190) = ( 0.0000000 0.0000000 0.1919472), wk = 0.0022321 k( 191) = ( 0.0000000 0.0000000 0.2020497), wk = 0.0022321 k( 192) = ( 0.0000000 0.0000000 0.2121522), wk = 0.0022321 k( 193) = ( 0.0000000 0.0000000 0.2222547), wk = 0.0022321 k( 194) = ( 0.0000000 0.0000000 0.2323571), wk = 0.0022321 k( 195) = ( 0.0000000 0.0000000 0.2424596), wk = 0.0022321 k( 196) = ( 0.0000000 0.0000000 0.2525621), wk = 0.0022321 k( 197) = ( 0.0000000 0.0000000 0.2626646), wk = 0.0022321 k( 198) = ( 0.0000000 0.0000000 0.2727671), wk = 0.0022321 k( 199) = ( 0.0000000 0.0000000 0.2828696), wk = 0.0022321 k( 200) = ( 0.0000000 0.0000000 0.2929720), wk = 0.0022321 k( 201) = ( 0.0000000 0.0000000 0.3030745), wk = 0.0022321 k( 202) = ( 0.0000000 0.0000000 0.3131770), wk = 0.0022321 k( 203) = ( 0.0000000 0.0000000 0.3232795), wk = 0.0022321 k( 204) = ( 0.0000000 0.0000000 0.3333820), wk = 0.0022321 k( 205) = ( 0.0000000 0.0000000 0.3434845), wk = 0.0022321 k( 206) = ( 0.0000000 0.0000000 0.3535870), wk = 0.0022321 k( 207) = ( 0.0000000 0.0000000 0.3535870), wk = 0.0022321 k( 208) = ( 0.0000000 0.0102041 0.3535870), wk = 0.0022321 k( 209) = ( 0.0000000 0.0204082 0.3535870), wk = 0.0022321 k( 210) = ( 0.0000000 0.0306122 0.3535870), wk = 0.0022321 k( 211) = ( 0.0000000 0.0408163 0.3535870), wk = 0.0022321 k( 212) = ( 0.0000000 0.0510204 0.3535870), wk = 0.0022321 k( 213) = ( 0.0000000 0.0612245 0.3535870), wk = 0.0022321 k( 214) = ( 0.0000000 0.0714286 0.3535870), wk = 0.0022321 k( 215) = ( 0.0000000 0.0816327 0.3535870), wk = 0.0022321 k( 216) = ( 0.0000000 0.0918367 0.3535870), wk = 0.0022321 k( 217) = ( 0.0000000 0.1020408 0.3535870), wk = 0.0022321 k( 218) = ( 0.0000000 0.1122449 0.3535870), wk = 0.0022321 k( 219) = ( 0.0000000 0.1224490 0.3535870), wk = 0.0022321 k( 220) = ( 0.0000000 0.1326531 0.3535870), wk = 0.0022321 k( 221) = ( 0.0000000 0.1428571 0.3535870), wk = 0.0022321 k( 222) = ( 0.0000000 0.1530612 0.3535870), wk = 0.0022321 k( 223) = ( 0.0000000 0.1632653 0.3535870), wk = 0.0022321 k( 224) = ( 0.0000000 0.1734694 0.3535870), wk = 0.0022321 k( 225) = ( 0.0000000 0.1836735 0.3535870), wk = 0.0022321 k( 226) = ( 0.0000000 0.1938776 0.3535870), wk = 0.0022321 k( 227) = ( 0.0000000 0.2040816 0.3535870), wk = 0.0022321 k( 228) = ( 0.0000000 0.2142857 0.3535870), wk = 0.0022321 k( 229) = ( 0.0000000 0.2244898 0.3535870), wk = 0.0022321 k( 230) = ( 0.0000000 0.2346939 0.3535870), wk = 0.0022321 k( 231) = ( 0.0000000 0.2448980 0.3535870), wk = 0.0022321 k( 232) = ( 0.0000000 0.2551020 0.3535870), wk = 0.0022321 k( 233) = ( 0.0000000 0.2653061 0.3535870), wk = 0.0022321 k( 234) = ( 0.0000000 0.2755102 0.3535870), wk = 0.0022321 k( 235) = ( 0.0000000 0.2857143 0.3535870), wk = 0.0022321 k( 236) = ( 0.0000000 0.2959184 0.3535870), wk = 0.0022321 k( 237) = ( 0.0000000 0.3061224 0.3535870), wk = 0.0022321 k( 238) = ( 0.0000000 0.3163265 0.3535870), wk = 0.0022321 k( 239) = ( 0.0000000 0.3265306 0.3535870), wk = 0.0022321 k( 240) = ( 0.0000000 0.3367347 0.3535870), wk = 0.0022321 k( 241) = ( 0.0000000 0.3469388 0.3535870), wk = 0.0022321 k( 242) = ( 0.0000000 0.3571429 0.3535870), wk = 0.0022321 k( 243) = ( 0.0000000 0.3673469 0.3535870), wk = 0.0022321 k( 244) = ( 0.0000000 0.3775510 0.3535870), wk = 0.0022321 k( 245) = ( 0.0000000 0.3877551 0.3535870), wk = 0.0022321 k( 246) = ( 0.0000000 0.3979592 0.3535870), wk = 0.0022321 k( 247) = ( 0.0000000 0.4081633 0.3535870), wk = 0.0022321 k( 248) = ( 0.0000000 0.4183674 0.3535870), wk = 0.0022321 k( 249) = ( 0.0000000 0.4285714 0.3535870), wk = 0.0022321 k( 250) = ( 0.0000000 0.4387755 0.3535870), wk = 0.0022321 k( 251) = ( 0.0000000 0.4489796 0.3535870), wk = 0.0022321 k( 252) = ( 0.0000000 0.4591837 0.3535870), wk = 0.0022321 k( 253) = ( 0.0000000 0.4693878 0.3535870), wk = 0.0022321 k( 254) = ( 0.0000000 0.4795918 0.3535870), wk = 0.0022321 k( 255) = ( 0.0000000 0.4897959 0.3535870), wk = 0.0022321 k( 256) = ( 0.0000000 0.5000000 0.3535870), wk = 0.0022321 k( 257) = ( 0.0000000 0.5000000 0.3535870), wk = 0.0022321 k( 258) = ( 0.0102041 0.5000000 0.3535870), wk = 0.0022321 k( 259) = ( 0.0204082 0.5000000 0.3535870), wk = 0.0022321 k( 260) = ( 0.0306122 0.5000000 0.3535870), wk = 0.0022321 k( 261) = ( 0.0408163 0.5000000 0.3535870), wk = 0.0022321 k( 262) = ( 0.0510204 0.5000000 0.3535870), wk = 0.0022321 k( 263) = ( 0.0612245 0.5000000 0.3535870), wk = 0.0022321 k( 264) = ( 0.0714286 0.5000000 0.3535870), wk = 0.0022321 k( 265) = ( 0.0816327 0.5000000 0.3535870), wk = 0.0022321 k( 266) = ( 0.0918367 0.5000000 0.3535870), wk = 0.0022321 k( 267) = ( 0.1020408 0.5000000 0.3535870), wk = 0.0022321 k( 268) = ( 0.1122449 0.5000000 0.3535870), wk = 0.0022321 k( 269) = ( 0.1224490 0.5000000 0.3535870), wk = 0.0022321 k( 270) = ( 0.1326531 0.5000000 0.3535870), wk = 0.0022321 k( 271) = ( 0.1428571 0.5000000 0.3535870), wk = 0.0022321 k( 272) = ( 0.1530612 0.5000000 0.3535870), wk = 0.0022321 k( 273) = ( 0.1632653 0.5000000 0.3535870), wk = 0.0022321 k( 274) = ( 0.1734694 0.5000000 0.3535870), wk = 0.0022321 k( 275) = ( 0.1836735 0.5000000 0.3535870), wk = 0.0022321 k( 276) = ( 0.1938776 0.5000000 0.3535870), wk = 0.0022321 k( 277) = ( 0.2040816 0.5000000 0.3535870), wk = 0.0022321 k( 278) = ( 0.2142857 0.5000000 0.3535870), wk = 0.0022321 k( 279) = ( 0.2244898 0.5000000 0.3535870), wk = 0.0022321 k( 280) = ( 0.2346939 0.5000000 0.3535870), wk = 0.0022321 k( 281) = ( 0.2448980 0.5000000 0.3535870), wk = 0.0022321 k( 282) = ( 0.2551020 0.5000000 0.3535870), wk = 0.0022321 k( 283) = ( 0.2653061 0.5000000 0.3535870), wk = 0.0022321 k( 284) = ( 0.2755102 0.5000000 0.3535870), wk = 0.0022321 k( 285) = ( 0.2857143 0.5000000 0.3535870), wk = 0.0022321 k( 286) = ( 0.2959184 0.5000000 0.3535870), wk = 0.0022321 k( 287) = ( 0.3061224 0.5000000 0.3535870), wk = 0.0022321 k( 288) = ( 0.3163265 0.5000000 0.3535870), wk = 0.0022321 k( 289) = ( 0.3265306 0.5000000 0.3535870), wk = 0.0022321 k( 290) = ( 0.3367347 0.5000000 0.3535870), wk = 0.0022321 k( 291) = ( 0.3469388 0.5000000 0.3535870), wk = 0.0022321 k( 292) = ( 0.3571429 0.5000000 0.3535870), wk = 0.0022321 k( 293) = ( 0.3673469 0.5000000 0.3535870), wk = 0.0022321 k( 294) = ( 0.3775510 0.5000000 0.3535870), wk = 0.0022321 k( 295) = ( 0.3877551 0.5000000 0.3535870), wk = 0.0022321 k( 296) = ( 0.3979592 0.5000000 0.3535870), wk = 0.0022321 k( 297) = ( 0.4081633 0.5000000 0.3535870), wk = 0.0022321 k( 298) = ( 0.4183674 0.5000000 0.3535870), wk = 0.0022321 k( 299) = ( 0.4285714 0.5000000 0.3535870), wk = 0.0022321 k( 300) = ( 0.4387755 0.5000000 0.3535870), wk = 0.0022321 k( 301) = ( 0.4489796 0.5000000 0.3535870), wk = 0.0022321 k( 302) = ( 0.4591837 0.5000000 0.3535870), wk = 0.0022321 k( 303) = ( 0.4693878 0.5000000 0.3535870), wk = 0.0022321 k( 304) = ( 0.4795918 0.5000000 0.3535870), wk = 0.0022321 k( 305) = ( 0.4897959 0.5000000 0.3535870), wk = 0.0022321 k( 306) = ( 0.5000000 0.5000000 0.3535870), wk = 0.0022321 k( 307) = ( 0.5000000 0.5000000 0.3535870), wk = 0.0022321 k( 308) = ( 0.4927536 0.4927536 0.3535870), wk = 0.0022321 k( 309) = ( 0.4855073 0.4855072 0.3535870), wk = 0.0022321 k( 310) = ( 0.4782609 0.4782609 0.3535870), wk = 0.0022321 k( 311) = ( 0.4710145 0.4710145 0.3535870), wk = 0.0022321 k( 312) = ( 0.4637681 0.4637681 0.3535870), wk = 0.0022321 k( 313) = ( 0.4565217 0.4565217 0.3535870), wk = 0.0022321 k( 314) = ( 0.4492754 0.4492754 0.3535870), wk = 0.0022321 k( 315) = ( 0.4420290 0.4420290 0.3535870), wk = 0.0022321 k( 316) = ( 0.4347826 0.4347826 0.3535870), wk = 0.0022321 k( 317) = ( 0.4275362 0.4275362 0.3535870), wk = 0.0022321 k( 318) = ( 0.4202899 0.4202899 0.3535870), wk = 0.0022321 k( 319) = ( 0.4130435 0.4130435 0.3535870), wk = 0.0022321 k( 320) = ( 0.4057971 0.4057971 0.3535870), wk = 0.0022321 k( 321) = ( 0.3985507 0.3985507 0.3535870), wk = 0.0022321 k( 322) = ( 0.3913044 0.3913043 0.3535870), wk = 0.0022321 k( 323) = ( 0.3840580 0.3840580 0.3535870), wk = 0.0022321 k( 324) = ( 0.3768116 0.3768116 0.3535870), wk = 0.0022321 k( 325) = ( 0.3695652 0.3695652 0.3535870), wk = 0.0022321 k( 326) = ( 0.3623188 0.3623188 0.3535870), wk = 0.0022321 k( 327) = ( 0.3550725 0.3550725 0.3535870), wk = 0.0022321 k( 328) = ( 0.3478261 0.3478261 0.3535870), wk = 0.0022321 k( 329) = ( 0.3405797 0.3405797 0.3535870), wk = 0.0022321 k( 330) = ( 0.3333333 0.3333333 0.3535870), wk = 0.0022321 k( 331) = ( 0.3260870 0.3260870 0.3535870), wk = 0.0022321 k( 332) = ( 0.3188406 0.3188406 0.3535870), wk = 0.0022321 k( 333) = ( 0.3115942 0.3115942 0.3535870), wk = 0.0022321 k( 334) = ( 0.3043478 0.3043478 0.3535870), wk = 0.0022321 k( 335) = ( 0.2971014 0.2971014 0.3535870), wk = 0.0022321 k( 336) = ( 0.2898551 0.2898551 0.3535870), wk = 0.0022321 k( 337) = ( 0.2826087 0.2826087 0.3535870), wk = 0.0022321 k( 338) = ( 0.2753623 0.2753623 0.3535870), wk = 0.0022321 k( 339) = ( 0.2681159 0.2681159 0.3535870), wk = 0.0022321 k( 340) = ( 0.2608696 0.2608696 0.3535870), wk = 0.0022321 k( 341) = ( 0.2536232 0.2536232 0.3535870), wk = 0.0022321 k( 342) = ( 0.2463768 0.2463768 0.3535870), wk = 0.0022321 k( 343) = ( 0.2391304 0.2391304 0.3535870), wk = 0.0022321 k( 344) = ( 0.2318841 0.2318841 0.3535870), wk = 0.0022321 k( 345) = ( 0.2246377 0.2246377 0.3535870), wk = 0.0022321 k( 346) = ( 0.2173913 0.2173913 0.3535870), wk = 0.0022321 k( 347) = ( 0.2101449 0.2101449 0.3535870), wk = 0.0022321 k( 348) = ( 0.2028986 0.2028985 0.3535870), wk = 0.0022321 k( 349) = ( 0.1956522 0.1956522 0.3535870), wk = 0.0022321 k( 350) = ( 0.1884058 0.1884058 0.3535870), wk = 0.0022321 k( 351) = ( 0.1811594 0.1811594 0.3535870), wk = 0.0022321 k( 352) = ( 0.1739130 0.1739130 0.3535870), wk = 0.0022321 k( 353) = ( 0.1666667 0.1666667 0.3535870), wk = 0.0022321 k( 354) = ( 0.1594203 0.1594203 0.3535870), wk = 0.0022321 k( 355) = ( 0.1521739 0.1521739 0.3535870), wk = 0.0022321 k( 356) = ( 0.1449275 0.1449275 0.3535870), wk = 0.0022321 k( 357) = ( 0.1376812 0.1376812 0.3535870), wk = 0.0022321 k( 358) = ( 0.1304348 0.1304348 0.3535870), wk = 0.0022321 k( 359) = ( 0.1231884 0.1231884 0.3535870), wk = 0.0022321 k( 360) = ( 0.1159420 0.1159420 0.3535870), wk = 0.0022321 k( 361) = ( 0.1086957 0.1086956 0.3535870), wk = 0.0022321 k( 362) = ( 0.1014493 0.1014493 0.3535870), wk = 0.0022321 k( 363) = ( 0.0942029 0.0942029 0.3535870), wk = 0.0022321 k( 364) = ( 0.0869565 0.0869565 0.3535870), wk = 0.0022321 k( 365) = ( 0.0797101 0.0797101 0.3535870), wk = 0.0022321 k( 366) = ( 0.0724638 0.0724638 0.3535870), wk = 0.0022321 k( 367) = ( 0.0652174 0.0652174 0.3535870), wk = 0.0022321 k( 368) = ( 0.0579710 0.0579710 0.3535870), wk = 0.0022321 k( 369) = ( 0.0507246 0.0507246 0.3535870), wk = 0.0022321 k( 370) = ( 0.0434783 0.0434783 0.3535870), wk = 0.0022321 k( 371) = ( 0.0362319 0.0362319 0.3535870), wk = 0.0022321 k( 372) = ( 0.0289855 0.0289855 0.3535870), wk = 0.0022321 k( 373) = ( 0.0217391 0.0217391 0.3535870), wk = 0.0022321 k( 374) = ( 0.0144928 0.0144927 0.3535870), wk = 0.0022321 k( 375) = ( 0.0072464 0.0072464 0.3535870), wk = 0.0022321 k( 376) = ( 0.0000000 0.0000000 0.3535870), wk = 0.0022321 k( 377) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022321 k( 378) = ( 0.0000000 0.5000000 0.0101025), wk = 0.0022321 k( 379) = ( 0.0000000 0.5000000 0.0202050), wk = 0.0022321 k( 380) = ( 0.0000000 0.5000000 0.0303075), wk = 0.0022321 k( 381) = ( 0.0000000 0.5000000 0.0404099), wk = 0.0022321 k( 382) = ( 0.0000000 0.5000000 0.0505124), wk = 0.0022321 k( 383) = ( 0.0000000 0.5000000 0.0606149), wk = 0.0022321 k( 384) = ( 0.0000000 0.5000000 0.0707174), wk = 0.0022321 k( 385) = ( 0.0000000 0.5000000 0.0808199), wk = 0.0022321 k( 386) = ( 0.0000000 0.5000000 0.0909224), wk = 0.0022321 k( 387) = ( 0.0000000 0.5000000 0.1010248), wk = 0.0022321 k( 388) = ( 0.0000000 0.5000000 0.1111273), wk = 0.0022321 k( 389) = ( 0.0000000 0.5000000 0.1212298), wk = 0.0022321 k( 390) = ( 0.0000000 0.5000000 0.1313323), wk = 0.0022321 k( 391) = ( 0.0000000 0.5000000 0.1414348), wk = 0.0022321 k( 392) = ( 0.0000000 0.5000000 0.1515373), wk = 0.0022321 k( 393) = ( 0.0000000 0.5000000 0.1616398), wk = 0.0022321 k( 394) = ( 0.0000000 0.5000000 0.1717422), wk = 0.0022321 k( 395) = ( 0.0000000 0.5000000 0.1818447), wk = 0.0022321 k( 396) = ( 0.0000000 0.5000000 0.1919472), wk = 0.0022321 k( 397) = ( 0.0000000 0.5000000 0.2020497), wk = 0.0022321 k( 398) = ( 0.0000000 0.5000000 0.2121522), wk = 0.0022321 k( 399) = ( 0.0000000 0.5000000 0.2222547), wk = 0.0022321 k( 400) = ( 0.0000000 0.5000000 0.2323571), wk = 0.0022321 k( 401) = ( 0.0000000 0.5000000 0.2424596), wk = 0.0022321 k( 402) = ( 0.0000000 0.5000000 0.2525621), wk = 0.0022321 k( 403) = ( 0.0000000 0.5000000 0.2626646), wk = 0.0022321 k( 404) = ( 0.0000000 0.5000000 0.2727671), wk = 0.0022321 k( 405) = ( 0.0000000 0.5000000 0.2828696), wk = 0.0022321 k( 406) = ( 0.0000000 0.5000000 0.2929720), wk = 0.0022321 k( 407) = ( 0.0000000 0.5000000 0.3030745), wk = 0.0022321 k( 408) = ( 0.0000000 0.5000000 0.3131770), wk = 0.0022321 k( 409) = ( 0.0000000 0.5000000 0.3232795), wk = 0.0022321 k( 410) = ( 0.0000000 0.5000000 0.3333820), wk = 0.0022321 k( 411) = ( 0.0000000 0.5000000 0.3434845), wk = 0.0022321 k( 412) = ( 0.0000000 0.5000000 0.3535870), wk = 0.0022321 k( 413) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022321 k( 414) = ( 0.5000000 0.5000000 0.0101025), wk = 0.0022321 k( 415) = ( 0.5000000 0.5000000 0.0202050), wk = 0.0022321 k( 416) = ( 0.5000000 0.5000000 0.0303075), wk = 0.0022321 k( 417) = ( 0.5000000 0.5000000 0.0404099), wk = 0.0022321 k( 418) = ( 0.5000000 0.5000000 0.0505124), wk = 0.0022321 k( 419) = ( 0.5000000 0.5000000 0.0606149), wk = 0.0022321 k( 420) = ( 0.5000000 0.5000000 0.0707174), wk = 0.0022321 k( 421) = ( 0.5000000 0.5000000 0.0808199), wk = 0.0022321 k( 422) = ( 0.5000000 0.5000000 0.0909224), wk = 0.0022321 k( 423) = ( 0.5000000 0.5000000 0.1010248), wk = 0.0022321 k( 424) = ( 0.5000000 0.5000000 0.1111273), wk = 0.0022321 k( 425) = ( 0.5000000 0.5000000 0.1212298), wk = 0.0022321 k( 426) = ( 0.5000000 0.5000000 0.1313323), wk = 0.0022321 k( 427) = ( 0.5000000 0.5000000 0.1414348), wk = 0.0022321 k( 428) = ( 0.5000000 0.5000000 0.1515373), wk = 0.0022321 k( 429) = ( 0.5000000 0.5000000 0.1616398), wk = 0.0022321 k( 430) = ( 0.5000000 0.5000000 0.1717422), wk = 0.0022321 k( 431) = ( 0.5000000 0.5000000 0.1818447), wk = 0.0022321 k( 432) = ( 0.5000000 0.5000000 0.1919472), wk = 0.0022321 k( 433) = ( 0.5000000 0.5000000 0.2020497), wk = 0.0022321 k( 434) = ( 0.5000000 0.5000000 0.2121522), wk = 0.0022321 k( 435) = ( 0.5000000 0.5000000 0.2222547), wk = 0.0022321 k( 436) = ( 0.5000000 0.5000000 0.2323571), wk = 0.0022321 k( 437) = ( 0.5000000 0.5000000 0.2424596), wk = 0.0022321 k( 438) = ( 0.5000000 0.5000000 0.2525621), wk = 0.0022321 k( 439) = ( 0.5000000 0.5000000 0.2626646), wk = 0.0022321 k( 440) = ( 0.5000000 0.5000000 0.2727671), wk = 0.0022321 k( 441) = ( 0.5000000 0.5000000 0.2828696), wk = 0.0022321 k( 442) = ( 0.5000000 0.5000000 0.2929720), wk = 0.0022321 k( 443) = ( 0.5000000 0.5000000 0.3030745), wk = 0.0022321 k( 444) = ( 0.5000000 0.5000000 0.3131770), wk = 0.0022321 k( 445) = ( 0.5000000 0.5000000 0.3232795), wk = 0.0022321 k( 446) = ( 0.5000000 0.5000000 0.3333820), wk = 0.0022321 k( 447) = ( 0.5000000 0.5000000 0.3434845), wk = 0.0022321 k( 448) = ( 0.5000000 0.5000000 0.3535870), wk = 0.0022321 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( 0.0000000 0.0102041 0.0000000), wk = 0.0022321 k( 3) = ( 0.0000000 0.0204082 0.0000000), wk = 0.0022321 k( 4) = ( 0.0000000 0.0306122 0.0000000), wk = 0.0022321 k( 5) = ( 0.0000000 0.0408163 0.0000000), wk = 0.0022321 k( 6) = ( 0.0000000 0.0510204 -0.0000000), wk = 0.0022321 k( 7) = ( 0.0000000 0.0612245 0.0000000), wk = 0.0022321 k( 8) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0022321 k( 9) = ( 0.0000000 0.0816327 -0.0000000), wk = 0.0022321 k( 10) = ( 0.0000000 0.0918367 0.0000000), wk = 0.0022321 k( 11) = ( 0.0000000 0.1020408 -0.0000000), wk = 0.0022321 k( 12) = ( 0.0000000 0.1122449 0.0000000), wk = 0.0022321 k( 13) = ( 0.0000000 0.1224490 0.0000000), wk = 0.0022321 k( 14) = ( 0.0000000 0.1326531 0.0000000), wk = 0.0022321 k( 15) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0022321 k( 16) = ( 0.0000000 0.1530612 -0.0000000), wk = 0.0022321 k( 17) = ( 0.0000000 0.1632653 0.0000000), wk = 0.0022321 k( 18) = ( 0.0000000 0.1734694 0.0000000), wk = 0.0022321 k( 19) = ( 0.0000000 0.1836735 0.0000000), wk = 0.0022321 k( 20) = ( 0.0000000 0.1938776 0.0000000), wk = 0.0022321 k( 21) = ( 0.0000000 0.2040816 0.0000000), wk = 0.0022321 k( 22) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0022321 k( 23) = ( 0.0000000 0.2244898 0.0000000), wk = 0.0022321 k( 24) = ( 0.0000000 0.2346939 0.0000000), wk = 0.0022321 k( 25) = ( 0.0000000 0.2448980 0.0000000), wk = 0.0022321 k( 26) = ( 0.0000000 0.2551020 0.0000000), wk = 0.0022321 k( 27) = ( 0.0000000 0.2653061 0.0000000), wk = 0.0022321 k( 28) = ( 0.0000000 0.2755102 0.0000000), wk = 0.0022321 k( 29) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0022321 k( 30) = ( 0.0000000 0.2959184 0.0000000), wk = 0.0022321 k( 31) = ( 0.0000000 0.3061224 0.0000000), wk = 0.0022321 k( 32) = ( 0.0000000 0.3163265 0.0000000), wk = 0.0022321 k( 33) = ( 0.0000000 0.3265306 0.0000000), wk = 0.0022321 k( 34) = ( 0.0000000 0.3367347 0.0000000), wk = 0.0022321 k( 35) = ( 0.0000000 0.3469388 0.0000000), wk = 0.0022321 k( 36) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0022321 k( 37) = ( 0.0000000 0.3673469 0.0000000), wk = 0.0022321 k( 38) = ( 0.0000000 0.3775510 0.0000000), wk = 0.0022321 k( 39) = ( 0.0000000 0.3877551 0.0000000), wk = 0.0022321 k( 40) = ( 0.0000000 0.3979592 0.0000000), wk = 0.0022321 k( 41) = ( 0.0000000 0.4081633 0.0000000), wk = 0.0022321 k( 42) = ( 0.0000000 0.4183674 0.0000000), wk = 0.0022321 k( 43) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0022321 k( 44) = ( 0.0000000 0.4387755 0.0000000), wk = 0.0022321 k( 45) = ( 0.0000000 0.4489796 0.0000000), wk = 0.0022321 k( 46) = ( 0.0000000 0.4591837 0.0000000), wk = 0.0022321 k( 47) = ( 0.0000000 0.4693878 0.0000000), wk = 0.0022321 k( 48) = ( 0.0000000 0.4795918 0.0000000), wk = 0.0022321 k( 49) = ( 0.0000000 0.4897959 0.0000000), wk = 0.0022321 k( 50) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 51) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 52) = ( 0.0102041 0.5000000 0.0000000), wk = 0.0022321 k( 53) = ( 0.0204082 0.5000000 0.0000000), wk = 0.0022321 k( 54) = ( 0.0306122 0.5000000 0.0000000), wk = 0.0022321 k( 55) = ( 0.0408163 0.5000000 0.0000000), wk = 0.0022321 k( 56) = ( 0.0510204 0.5000000 0.0000000), wk = 0.0022321 k( 57) = ( 0.0612245 0.5000000 0.0000000), wk = 0.0022321 k( 58) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0022321 k( 59) = ( 0.0816327 0.5000000 0.0000000), wk = 0.0022321 k( 60) = ( 0.0918367 0.5000000 0.0000000), wk = 0.0022321 k( 61) = ( 0.1020408 0.5000000 0.0000000), wk = 0.0022321 k( 62) = ( 0.1122449 0.5000000 0.0000000), wk = 0.0022321 k( 63) = ( 0.1224490 0.5000000 0.0000000), wk = 0.0022321 k( 64) = ( 0.1326531 0.5000000 0.0000000), wk = 0.0022321 k( 65) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0022321 k( 66) = ( 0.1530612 0.5000000 0.0000000), wk = 0.0022321 k( 67) = ( 0.1632653 0.5000000 0.0000000), wk = 0.0022321 k( 68) = ( 0.1734694 0.5000000 0.0000000), wk = 0.0022321 k( 69) = ( 0.1836735 0.5000000 0.0000000), wk = 0.0022321 k( 70) = ( 0.1938776 0.5000000 0.0000000), wk = 0.0022321 k( 71) = ( 0.2040816 0.5000000 0.0000000), wk = 0.0022321 k( 72) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0022321 k( 73) = ( 0.2244898 0.5000000 0.0000000), wk = 0.0022321 k( 74) = ( 0.2346939 0.5000000 0.0000000), wk = 0.0022321 k( 75) = ( 0.2448980 0.5000000 0.0000000), wk = 0.0022321 k( 76) = ( 0.2551020 0.5000000 0.0000000), wk = 0.0022321 k( 77) = ( 0.2653061 0.5000000 0.0000000), wk = 0.0022321 k( 78) = ( 0.2755102 0.5000000 0.0000000), wk = 0.0022321 k( 79) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0022321 k( 80) = ( 0.2959184 0.5000000 -0.0000000), wk = 0.0022321 k( 81) = ( 0.3061224 0.5000000 0.0000000), wk = 0.0022321 k( 82) = ( 0.3163265 0.5000000 0.0000000), wk = 0.0022321 k( 83) = ( 0.3265306 0.5000000 0.0000000), wk = 0.0022321 k( 84) = ( 0.3367347 0.5000000 0.0000000), wk = 0.0022321 k( 85) = ( 0.3469388 0.5000000 0.0000000), wk = 0.0022321 k( 86) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0022321 k( 87) = ( 0.3673469 0.5000000 0.0000000), wk = 0.0022321 k( 88) = ( 0.3775510 0.5000000 0.0000000), wk = 0.0022321 k( 89) = ( 0.3877551 0.5000000 0.0000000), wk = 0.0022321 k( 90) = ( 0.3979592 0.5000000 0.0000000), wk = 0.0022321 k( 91) = ( 0.4081633 0.5000000 -0.0000000), wk = 0.0022321 k( 92) = ( 0.4183674 0.5000000 -0.0000000), wk = 0.0022321 k( 93) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0022321 k( 94) = ( 0.4387755 0.5000000 -0.0000000), wk = 0.0022321 k( 95) = ( 0.4489796 0.5000000 0.0000000), wk = 0.0022321 k( 96) = ( 0.4591837 0.5000000 0.0000000), wk = 0.0022321 k( 97) = ( 0.4693878 0.5000000 0.0000000), wk = 0.0022321 k( 98) = ( 0.4795918 0.5000000 0.0000000), wk = 0.0022321 k( 99) = ( 0.4897959 0.5000000 0.0000000), wk = 0.0022321 k( 100) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022321 k( 101) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022321 k( 102) = ( 0.4927536 0.4927536 0.0000000), wk = 0.0022321 k( 103) = ( 0.4855073 0.4855073 0.0000000), wk = 0.0022321 k( 104) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0022321 k( 105) = ( 0.4710145 0.4710145 0.0000000), wk = 0.0022321 k( 106) = ( 0.4637681 0.4637681 0.0000000), wk = 0.0022321 k( 107) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0022321 k( 108) = ( 0.4492754 0.4492754 0.0000000), wk = 0.0022321 k( 109) = ( 0.4420290 0.4420290 0.0000000), wk = 0.0022321 k( 110) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0022321 k( 111) = ( 0.4275362 0.4275362 -0.0000000), wk = 0.0022321 k( 112) = ( 0.4202899 0.4202899 0.0000000), wk = 0.0022321 k( 113) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0022321 k( 114) = ( 0.4057971 0.4057971 -0.0000000), wk = 0.0022321 k( 115) = ( 0.3985507 0.3985507 0.0000000), wk = 0.0022321 k( 116) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0022321 k( 117) = ( 0.3840580 0.3840580 0.0000000), wk = 0.0022321 k( 118) = ( 0.3768116 0.3768116 0.0000000), wk = 0.0022321 k( 119) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0022321 k( 120) = ( 0.3623188 0.3623188 -0.0000000), wk = 0.0022321 k( 121) = ( 0.3550725 0.3550725 0.0000000), wk = 0.0022321 k( 122) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0022321 k( 123) = ( 0.3405797 0.3405797 0.0000000), wk = 0.0022321 k( 124) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022321 k( 125) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0022321 k( 126) = ( 0.3188406 0.3188406 0.0000000), wk = 0.0022321 k( 127) = ( 0.3115942 0.3115942 -0.0000000), wk = 0.0022321 k( 128) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0022321 k( 129) = ( 0.2971014 0.2971014 0.0000000), wk = 0.0022321 k( 130) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0022321 k( 131) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0022321 k( 132) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0022321 k( 133) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0022321 k( 134) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0022321 k( 135) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0022321 k( 136) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0022321 k( 137) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0022321 k( 138) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0022321 k( 139) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0022321 k( 140) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0022321 k( 141) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0022321 k( 142) = ( 0.2028986 0.2028986 -0.0000000), wk = 0.0022321 k( 143) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0022321 k( 144) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0022321 k( 145) = ( 0.1811594 0.1811594 -0.0000000), wk = 0.0022321 k( 146) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0022321 k( 147) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0022321 k( 148) = ( 0.1594203 0.1594203 0.0000000), wk = 0.0022321 k( 149) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0022321 k( 150) = ( 0.1449275 0.1449275 0.0000000), wk = 0.0022321 k( 151) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0022321 k( 152) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0022321 k( 153) = ( 0.1231884 0.1231884 -0.0000000), wk = 0.0022321 k( 154) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0022321 k( 155) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0022321 k( 156) = ( 0.1014493 0.1014493 -0.0000000), wk = 0.0022321 k( 157) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0022321 k( 158) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0022321 k( 159) = ( 0.0797101 0.0797101 0.0000000), wk = 0.0022321 k( 160) = ( 0.0724638 0.0724638 0.0000000), wk = 0.0022321 k( 161) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0022321 k( 162) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0022321 k( 163) = ( 0.0507246 0.0507246 -0.0000000), wk = 0.0022321 k( 164) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0022321 k( 165) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0022321 k( 166) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0022321 k( 167) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0022321 k( 168) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0022321 k( 169) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0022321 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 172) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0022321 k( 173) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0022321 k( 174) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0022321 k( 175) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0022321 k( 176) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022321 k( 177) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0022321 k( 178) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0022321 k( 179) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0022321 k( 180) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0022321 k( 181) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022321 k( 182) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0022321 k( 183) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0022321 k( 184) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0022321 k( 185) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0022321 k( 186) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022321 k( 187) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0022321 k( 188) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0022321 k( 189) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0022321 k( 190) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0022321 k( 191) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022321 k( 192) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0022321 k( 193) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0022321 k( 194) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0022321 k( 195) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0022321 k( 196) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022321 k( 197) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0022321 k( 198) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0022321 k( 199) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0022321 k( 200) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0022321 k( 201) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022321 k( 202) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0022321 k( 203) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0022321 k( 204) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0022321 k( 205) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0022321 k( 206) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 207) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 208) = ( 0.0000000 0.0102041 0.5000000), wk = 0.0022321 k( 209) = ( 0.0000000 0.0204082 0.5000000), wk = 0.0022321 k( 210) = ( 0.0000000 0.0306122 0.5000000), wk = 0.0022321 k( 211) = ( 0.0000000 0.0408163 0.5000000), wk = 0.0022321 k( 212) = ( 0.0000000 0.0510204 0.5000000), wk = 0.0022321 k( 213) = ( 0.0000000 0.0612245 0.5000000), wk = 0.0022321 k( 214) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0022321 k( 215) = ( 0.0000000 0.0816327 0.5000000), wk = 0.0022321 k( 216) = ( 0.0000000 0.0918367 0.5000000), wk = 0.0022321 k( 217) = ( 0.0000000 0.1020408 0.5000000), wk = 0.0022321 k( 218) = ( 0.0000000 0.1122449 0.5000000), wk = 0.0022321 k( 219) = ( 0.0000000 0.1224490 0.5000000), wk = 0.0022321 k( 220) = ( 0.0000000 0.1326531 0.5000000), wk = 0.0022321 k( 221) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0022321 k( 222) = ( 0.0000000 0.1530612 0.5000000), wk = 0.0022321 k( 223) = ( 0.0000000 0.1632653 0.5000000), wk = 0.0022321 k( 224) = ( 0.0000000 0.1734694 0.5000000), wk = 0.0022321 k( 225) = ( 0.0000000 0.1836735 0.5000000), wk = 0.0022321 k( 226) = ( 0.0000000 0.1938776 0.5000000), wk = 0.0022321 k( 227) = ( 0.0000000 0.2040816 0.5000000), wk = 0.0022321 k( 228) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0022321 k( 229) = ( 0.0000000 0.2244898 0.5000000), wk = 0.0022321 k( 230) = ( 0.0000000 0.2346939 0.5000000), wk = 0.0022321 k( 231) = ( 0.0000000 0.2448980 0.5000000), wk = 0.0022321 k( 232) = ( 0.0000000 0.2551020 0.5000000), wk = 0.0022321 k( 233) = ( 0.0000000 0.2653061 0.5000000), wk = 0.0022321 k( 234) = ( 0.0000000 0.2755102 0.5000000), wk = 0.0022321 k( 235) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0022321 k( 236) = ( 0.0000000 0.2959184 0.5000000), wk = 0.0022321 k( 237) = ( 0.0000000 0.3061224 0.5000000), wk = 0.0022321 k( 238) = ( 0.0000000 0.3163265 0.5000000), wk = 0.0022321 k( 239) = ( 0.0000000 0.3265306 0.5000000), wk = 0.0022321 k( 240) = ( 0.0000000 0.3367347 0.5000000), wk = 0.0022321 k( 241) = ( 0.0000000 0.3469388 0.5000000), wk = 0.0022321 k( 242) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0022321 k( 243) = ( 0.0000000 0.3673469 0.5000000), wk = 0.0022321 k( 244) = ( 0.0000000 0.3775510 0.5000000), wk = 0.0022321 k( 245) = ( 0.0000000 0.3877551 0.5000000), wk = 0.0022321 k( 246) = ( 0.0000000 0.3979592 0.5000000), wk = 0.0022321 k( 247) = ( 0.0000000 0.4081633 0.5000000), wk = 0.0022321 k( 248) = ( 0.0000000 0.4183674 0.5000000), wk = 0.0022321 k( 249) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0022321 k( 250) = ( 0.0000000 0.4387755 0.5000000), wk = 0.0022321 k( 251) = ( 0.0000000 0.4489796 0.5000000), wk = 0.0022321 k( 252) = ( 0.0000000 0.4591837 0.5000000), wk = 0.0022321 k( 253) = ( 0.0000000 0.4693878 0.5000000), wk = 0.0022321 k( 254) = ( 0.0000000 0.4795918 0.5000000), wk = 0.0022321 k( 255) = ( 0.0000000 0.4897959 0.5000000), wk = 0.0022321 k( 256) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022321 k( 257) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022321 k( 258) = ( 0.0102041 0.5000000 0.5000000), wk = 0.0022321 k( 259) = ( 0.0204082 0.5000000 0.5000000), wk = 0.0022321 k( 260) = ( 0.0306122 0.5000000 0.5000000), wk = 0.0022321 k( 261) = ( 0.0408163 0.5000000 0.5000000), wk = 0.0022321 k( 262) = ( 0.0510204 0.5000000 0.5000000), wk = 0.0022321 k( 263) = ( 0.0612245 0.5000000 0.5000000), wk = 0.0022321 k( 264) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0022321 k( 265) = ( 0.0816327 0.5000000 0.5000000), wk = 0.0022321 k( 266) = ( 0.0918367 0.5000000 0.5000000), wk = 0.0022321 k( 267) = ( 0.1020408 0.5000000 0.5000000), wk = 0.0022321 k( 268) = ( 0.1122449 0.5000000 0.5000000), wk = 0.0022321 k( 269) = ( 0.1224490 0.5000000 0.5000000), wk = 0.0022321 k( 270) = ( 0.1326531 0.5000000 0.5000000), wk = 0.0022321 k( 271) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0022321 k( 272) = ( 0.1530612 0.5000000 0.5000000), wk = 0.0022321 k( 273) = ( 0.1632653 0.5000000 0.5000000), wk = 0.0022321 k( 274) = ( 0.1734694 0.5000000 0.5000000), wk = 0.0022321 k( 275) = ( 0.1836735 0.5000000 0.5000000), wk = 0.0022321 k( 276) = ( 0.1938776 0.5000000 0.5000000), wk = 0.0022321 k( 277) = ( 0.2040816 0.5000000 0.5000000), wk = 0.0022321 k( 278) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0022321 k( 279) = ( 0.2244898 0.5000000 0.5000000), wk = 0.0022321 k( 280) = ( 0.2346939 0.5000000 0.5000000), wk = 0.0022321 k( 281) = ( 0.2448980 0.5000000 0.5000000), wk = 0.0022321 k( 282) = ( 0.2551020 0.5000000 0.5000000), wk = 0.0022321 k( 283) = ( 0.2653061 0.5000000 0.5000000), wk = 0.0022321 k( 284) = ( 0.2755102 0.5000000 0.5000000), wk = 0.0022321 k( 285) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0022321 k( 286) = ( 0.2959184 0.5000000 0.5000000), wk = 0.0022321 k( 287) = ( 0.3061224 0.5000000 0.5000000), wk = 0.0022321 k( 288) = ( 0.3163265 0.5000000 0.5000000), wk = 0.0022321 k( 289) = ( 0.3265306 0.5000000 0.5000000), wk = 0.0022321 k( 290) = ( 0.3367347 0.5000000 0.5000000), wk = 0.0022321 k( 291) = ( 0.3469388 0.5000000 0.5000000), wk = 0.0022321 k( 292) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0022321 k( 293) = ( 0.3673469 0.5000000 0.5000000), wk = 0.0022321 k( 294) = ( 0.3775510 0.5000000 0.5000000), wk = 0.0022321 k( 295) = ( 0.3877551 0.5000000 0.5000000), wk = 0.0022321 k( 296) = ( 0.3979592 0.5000000 0.5000000), wk = 0.0022321 k( 297) = ( 0.4081633 0.5000000 0.5000000), wk = 0.0022321 k( 298) = ( 0.4183674 0.5000000 0.5000000), wk = 0.0022321 k( 299) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0022321 k( 300) = ( 0.4387755 0.5000000 0.5000000), wk = 0.0022321 k( 301) = ( 0.4489796 0.5000000 0.5000000), wk = 0.0022321 k( 302) = ( 0.4591837 0.5000000 0.5000000), wk = 0.0022321 k( 303) = ( 0.4693878 0.5000000 0.5000000), wk = 0.0022321 k( 304) = ( 0.4795918 0.5000000 0.5000000), wk = 0.0022321 k( 305) = ( 0.4897959 0.5000000 0.5000000), wk = 0.0022321 k( 306) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022321 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022321 k( 308) = ( 0.4927536 0.4927536 0.5000000), wk = 0.0022321 k( 309) = ( 0.4855073 0.4855073 0.5000000), wk = 0.0022321 k( 310) = ( 0.4782609 0.4782609 0.5000000), wk = 0.0022321 k( 311) = ( 0.4710145 0.4710145 0.5000000), wk = 0.0022321 k( 312) = ( 0.4637681 0.4637681 0.5000000), wk = 0.0022321 k( 313) = ( 0.4565217 0.4565217 0.5000000), wk = 0.0022321 k( 314) = ( 0.4492754 0.4492754 0.5000000), wk = 0.0022321 k( 315) = ( 0.4420290 0.4420290 0.5000000), wk = 0.0022321 k( 316) = ( 0.4347826 0.4347826 0.5000000), wk = 0.0022321 k( 317) = ( 0.4275362 0.4275362 0.5000000), wk = 0.0022321 k( 318) = ( 0.4202899 0.4202899 0.5000000), wk = 0.0022321 k( 319) = ( 0.4130435 0.4130435 0.5000000), wk = 0.0022321 k( 320) = ( 0.4057971 0.4057971 0.5000000), wk = 0.0022321 k( 321) = ( 0.3985507 0.3985507 0.5000000), wk = 0.0022321 k( 322) = ( 0.3913044 0.3913044 0.5000000), wk = 0.0022321 k( 323) = ( 0.3840580 0.3840580 0.5000000), wk = 0.0022321 k( 324) = ( 0.3768116 0.3768116 0.5000000), wk = 0.0022321 k( 325) = ( 0.3695652 0.3695652 0.5000000), wk = 0.0022321 k( 326) = ( 0.3623188 0.3623188 0.5000000), wk = 0.0022321 k( 327) = ( 0.3550725 0.3550725 0.5000000), wk = 0.0022321 k( 328) = ( 0.3478261 0.3478261 0.5000000), wk = 0.0022321 k( 329) = ( 0.3405797 0.3405797 0.5000000), wk = 0.0022321 k( 330) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022321 k( 331) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0022321 k( 332) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0022321 k( 333) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0022321 k( 334) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0022321 k( 335) = ( 0.2971014 0.2971014 0.5000000), wk = 0.0022321 k( 336) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0022321 k( 337) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0022321 k( 338) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0022321 k( 339) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0022321 k( 340) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0022321 k( 341) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0022321 k( 342) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0022321 k( 343) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0022321 k( 344) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0022321 k( 345) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0022321 k( 346) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0022321 k( 347) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0022321 k( 348) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0022321 k( 349) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0022321 k( 350) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0022321 k( 351) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0022321 k( 352) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0022321 k( 353) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0022321 k( 354) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0022321 k( 355) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0022321 k( 356) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0022321 k( 357) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0022321 k( 358) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0022321 k( 359) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0022321 k( 360) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0022321 k( 361) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0022321 k( 362) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0022321 k( 363) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0022321 k( 364) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0022321 k( 365) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0022321 k( 366) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0022321 k( 367) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0022321 k( 368) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0022321 k( 369) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0022321 k( 370) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0022321 k( 371) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0022321 k( 372) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0022321 k( 373) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0022321 k( 374) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0022321 k( 375) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0022321 k( 376) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 377) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022321 k( 378) = ( 0.0000000 0.5000000 0.0142857), wk = 0.0022321 k( 379) = ( 0.0000000 0.5000000 0.0285714), wk = 0.0022321 k( 380) = ( 0.0000000 0.5000000 0.0428571), wk = 0.0022321 k( 381) = ( 0.0000000 0.5000000 0.0571429), wk = 0.0022321 k( 382) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0022321 k( 383) = ( 0.0000000 0.5000000 0.0857143), wk = 0.0022321 k( 384) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0022321 k( 385) = ( 0.0000000 0.5000000 0.1142857), wk = 0.0022321 k( 386) = ( 0.0000000 0.5000000 0.1285714), wk = 0.0022321 k( 387) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0022321 k( 388) = ( 0.0000000 0.5000000 0.1571429), wk = 0.0022321 k( 389) = ( 0.0000000 0.5000000 0.1714286), wk = 0.0022321 k( 390) = ( 0.0000000 0.5000000 0.1857143), wk = 0.0022321 k( 391) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0022321 k( 392) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0022321 k( 393) = ( 0.0000000 0.5000000 0.2285714), wk = 0.0022321 k( 394) = ( 0.0000000 0.5000000 0.2428571), wk = 0.0022321 k( 395) = ( 0.0000000 0.5000000 0.2571429), wk = 0.0022321 k( 396) = ( 0.0000000 0.5000000 0.2714286), wk = 0.0022321 k( 397) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0022321 k( 398) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0022321 k( 399) = ( 0.0000000 0.5000000 0.3142857), wk = 0.0022321 k( 400) = ( 0.0000000 0.5000000 0.3285714), wk = 0.0022321 k( 401) = ( 0.0000000 0.5000000 0.3428571), wk = 0.0022321 k( 402) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0022321 k( 403) = ( 0.0000000 0.5000000 0.3714286), wk = 0.0022321 k( 404) = ( 0.0000000 0.5000000 0.3857143), wk = 0.0022321 k( 405) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0022321 k( 406) = ( 0.0000000 0.5000000 0.4142857), wk = 0.0022321 k( 407) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0022321 k( 408) = ( 0.0000000 0.5000000 0.4428571), wk = 0.0022321 k( 409) = ( 0.0000000 0.5000000 0.4571429), wk = 0.0022321 k( 410) = ( 0.0000000 0.5000000 0.4714286), wk = 0.0022321 k( 411) = ( 0.0000000 0.5000000 0.4857143), wk = 0.0022321 k( 412) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022321 k( 413) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022321 k( 414) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0022321 k( 415) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0022321 k( 416) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0022321 k( 417) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0022321 k( 418) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0022321 k( 419) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0022321 k( 420) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0022321 k( 421) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0022321 k( 422) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0022321 k( 423) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0022321 k( 424) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0022321 k( 425) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0022321 k( 426) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0022321 k( 427) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0022321 k( 428) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0022321 k( 429) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0022321 k( 430) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0022321 k( 431) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0022321 k( 432) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0022321 k( 433) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0022321 k( 434) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0022321 k( 435) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0022321 k( 436) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0022321 k( 437) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0022321 k( 438) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0022321 k( 439) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0022321 k( 440) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0022321 k( 441) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0022321 k( 442) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0022321 k( 443) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0022321 k( 444) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0022321 k( 445) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0022321 k( 446) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0022321 k( 447) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0022321 k( 448) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022321 Dense grid: 32613 G-vectors FFT dimensions: ( 36, 36, 50) Smooth grid: 12545 G-vectors FFT dimensions: ( 25, 25, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 74, 24) NL pseudopotentials 0.04 Mb ( 37, 76) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 683) G-vector shells 0.00 Mb ( 315) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 74, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.06 Mb ( 76, 2, 24) The potential is recalculated from file : ./B2AsP.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 51.0 secs Computing kpt #: 2 total cpu time spent up to now is 51.4 secs Computing kpt #: 3 total cpu time spent up to now is 51.7 secs Computing kpt #: 4 total cpu time spent up to now is 52.1 secs Computing kpt #: 5 total cpu time spent up to now is 52.4 secs Computing kpt #: 6 total cpu time spent up to now is 52.8 secs Computing kpt #: 7 total cpu time spent up to now is 53.2 secs Computing kpt #: 8 total cpu time spent up to now is 53.5 secs Computing kpt #: 9 total cpu time spent up to now is 53.8 secs Computing kpt #: 10 total cpu time spent up to now is 54.1 secs Computing kpt #: 11 total cpu time spent up to now is 54.4 secs Computing kpt #: 12 total cpu time spent up to now is 54.8 secs Computing kpt #: 13 total cpu time spent up to now is 55.1 secs Computing kpt #: 14 total cpu time spent up to now is 55.4 secs Computing kpt #: 15 total cpu time spent up to now is 55.8 secs Computing kpt #: 16 total cpu time spent up to now is 56.1 secs Computing kpt #: 17 total cpu time spent up to now is 56.4 secs Computing kpt #: 18 total cpu time spent up to now is 56.7 secs Computing kpt #: 19 total cpu time spent up to now is 57.0 secs Computing kpt #: 20 total cpu time spent up to now is 57.4 secs Computing kpt #: 21 total cpu time spent up to now is 57.7 secs Computing kpt #: 22 total cpu time spent up to now is 58.0 secs Computing kpt #: 23 total cpu time spent up to now is 58.3 secs Computing kpt #: 24 total cpu time spent up to now is 58.5 secs Computing kpt #: 25 total cpu time spent up to now is 58.8 secs Computing kpt #: 26 total cpu time spent up to now is 59.1 secs Computing kpt #: 27 total cpu time spent up to now is 59.4 secs Computing kpt #: 28 total cpu time spent up to now is 59.6 secs Computing kpt #: 29 total cpu time spent up to now is 59.9 secs Computing kpt #: 30 total cpu time spent up to now is 60.1 secs Computing kpt #: 31 total cpu time spent up to now is 60.4 secs Computing kpt #: 32 total cpu time spent up to now is 60.6 secs Computing kpt #: 33 total cpu time spent up to now is 60.9 secs Computing kpt #: 34 total cpu time spent up to now is 61.2 secs Computing kpt #: 35 total cpu time spent up to now is 61.5 secs Computing kpt #: 36 total cpu time spent up to now is 61.8 secs Computing kpt #: 37 total cpu time spent up to now is 62.1 secs Computing kpt #: 38 total cpu time spent up to now is 62.4 secs Computing kpt #: 39 total cpu time spent up to now is 62.7 secs Computing kpt #: 40 total cpu time spent up to now is 63.0 secs Computing kpt #: 41 total cpu time spent up to now is 63.3 secs Computing kpt #: 42 total cpu time spent up to now is 63.6 secs Computing kpt #: 43 total cpu time spent up to now is 64.0 secs Computing kpt #: 44 total cpu time spent up to now is 64.6 secs Computing kpt #: 45 total cpu time spent up to now is 65.2 secs Computing kpt #: 46 total cpu time spent up to now is 65.7 secs Computing kpt #: 47 total cpu time spent up to now is 66.0 secs Computing kpt #: 48 total cpu time spent up to now is 66.5 secs Computing kpt #: 49 total cpu time spent up to now is 66.9 secs Computing kpt #: 50 total cpu time spent up to now is 67.2 secs Computing kpt #: 51 total cpu time spent up to now is 67.5 secs Computing kpt #: 52 total cpu time spent up to now is 67.8 secs Computing kpt #: 53 total cpu time spent up to now is 68.1 secs Computing kpt #: 54 total cpu time spent up to now is 68.4 secs Computing kpt #: 55 total cpu time spent up to now is 68.7 secs Computing kpt #: 56 total cpu time spent up to now is 69.0 secs Computing kpt #: 57 total cpu time spent up to now is 69.3 secs Computing kpt #: 58 total cpu time spent up to now is 69.5 secs Computing kpt #: 59 total cpu time spent up to now is 69.8 secs Computing kpt #: 60 total cpu time spent up to now is 70.1 secs Computing kpt #: 61 total cpu time spent up to now is 70.4 secs Computing kpt #: 62 total cpu time spent up to now is 70.7 secs Computing kpt #: 63 total cpu time spent up to now is 71.0 secs Computing kpt #: 64 total cpu time spent up to now is 71.4 secs Computing kpt #: 65 total cpu time spent up to now is 71.7 secs Computing kpt #: 66 total cpu time spent up to now is 72.0 secs Computing kpt #: 67 total cpu time spent up to now is 72.4 secs Computing kpt #: 68 total cpu time spent up to now is 72.8 secs Computing kpt #: 69 total cpu time spent up to now is 73.2 secs Computing kpt #: 70 total cpu time spent up to now is 73.5 secs Computing kpt #: 71 total cpu time spent up to now is 73.9 secs Computing kpt #: 72 total cpu time spent up to now is 74.2 secs Computing kpt #: 73 total cpu time spent up to now is 74.5 secs Computing kpt #: 74 total cpu time spent up to now is 75.0 secs Computing kpt #: 75 total cpu time spent up to now is 75.3 secs Computing kpt #: 76 total cpu time spent up to now is 75.8 secs Computing kpt #: 77 total cpu time spent up to now is 76.2 secs Computing kpt #: 78 total cpu time spent up to now is 76.6 secs Computing kpt #: 79 total cpu time spent up to now is 76.9 secs Computing kpt #: 80 total cpu time spent up to now is 77.1 secs Computing kpt #: 81 total cpu time spent up to now is 77.5 secs Computing kpt #: 82 total cpu time spent up to now is 77.8 secs Computing kpt #: 83 total cpu time spent up to now is 78.0 secs Computing kpt #: 84 total cpu time spent up to now is 78.2 secs Computing kpt #: 85 total cpu time spent up to now is 78.4 secs Computing kpt #: 86 total cpu time spent up to now is 78.6 secs Computing kpt #: 87 total cpu time spent up to now is 78.8 secs Computing kpt #: 88 total cpu time spent up to now is 79.0 secs Computing kpt #: 89 total cpu time spent up to now is 79.2 secs Computing kpt #: 90 total cpu time spent up to now is 79.4 secs Computing kpt #: 91 total cpu time spent up to now is 79.6 secs Computing kpt #: 92 total cpu time spent up to now is 80.0 secs Computing kpt #: 93 total cpu time spent up to now is 80.3 secs Computing kpt #: 94 total cpu time spent up to now is 80.6 secs Computing kpt #: 95 total cpu time spent up to now is 80.8 secs Computing kpt #: 96 total cpu time spent up to now is 81.1 secs Computing kpt #: 97 total cpu time spent up to now is 81.3 secs Computing kpt #: 98 total cpu time spent up to now is 81.5 secs Computing kpt #: 99 total cpu time spent up to now is 81.8 secs Computing kpt #: 100 total cpu time spent up to now is 82.0 secs Computing kpt #: 101 total cpu time spent up to now is 82.3 secs Computing kpt #: 102 total cpu time spent up to now is 82.6 secs Computing kpt #: 103 total cpu time spent up to now is 82.9 secs Computing kpt #: 104 total cpu time spent up to now is 83.2 secs Computing kpt #: 105 total cpu time spent up to now is 83.4 secs Computing kpt #: 106 total cpu time spent up to now is 83.6 secs Computing kpt #: 107 total cpu time spent up to now is 83.8 secs Computing kpt #: 108 total cpu time spent up to now is 84.0 secs Computing kpt #: 109 total cpu time spent up to now is 84.2 secs Computing kpt #: 110 total cpu time spent up to now is 84.4 secs Computing kpt #: 111 total cpu time spent up to now is 84.7 secs Computing kpt #: 112 total cpu time spent up to now is 84.9 secs Computing kpt #: 113 total cpu time spent up to now is 85.1 secs Computing kpt #: 114 total cpu time spent up to now is 85.3 secs Computing kpt #: 115 total cpu time spent up to now is 85.7 secs Computing kpt #: 116 total cpu time spent up to now is 86.2 secs Computing kpt #: 117 total cpu time spent up to now is 86.6 secs Computing kpt #: 118 total cpu time spent up to now is 87.1 secs Computing kpt #: 119 total cpu time spent up to now is 87.5 secs Computing kpt #: 120 total cpu time spent up to now is 87.9 secs Computing kpt #: 121 total cpu time spent up to now is 88.4 secs Computing kpt #: 122 total cpu time spent up to now is 88.8 secs Computing kpt #: 123 total cpu time spent up to now is 89.2 secs Computing kpt #: 124 total cpu time spent up to now is 89.6 secs Computing kpt #: 125 total cpu time spent up to now is 90.0 secs Computing kpt #: 126 total cpu time spent up to now is 90.4 secs Computing kpt #: 127 total cpu time spent up to now is 90.8 secs Computing kpt #: 128 total cpu time spent up to now is 91.3 secs Computing kpt #: 129 total cpu time spent up to now is 91.7 secs Computing kpt #: 130 total cpu time spent up to now is 92.2 secs Computing kpt #: 131 total cpu time spent up to now is 92.5 secs Computing kpt #: 132 total cpu time spent up to now is 93.0 secs Computing kpt #: 133 total cpu time spent up to now is 93.4 secs Computing kpt #: 134 total cpu time spent up to now is 93.8 secs Computing kpt #: 135 total cpu time spent up to now is 94.2 secs Computing kpt #: 136 total cpu time spent up to now is 94.5 secs Computing kpt #: 137 total cpu time spent up to now is 95.0 secs Computing kpt #: 138 total cpu time spent up to now is 95.4 secs Computing kpt #: 139 total cpu time spent up to now is 95.7 secs Computing kpt #: 140 total cpu time spent up to now is 96.0 secs Computing kpt #: 141 total cpu time spent up to now is 96.4 secs Computing kpt #: 142 total cpu time spent up to now is 96.8 secs Computing kpt #: 143 total cpu time spent up to now is 97.2 secs Computing kpt #: 144 total cpu time spent up to now is 97.7 secs Computing kpt #: 145 total cpu time spent up to now is 98.1 secs Computing kpt #: 146 total cpu time spent up to now is 98.4 secs Computing kpt #: 147 total cpu time spent up to now is 98.8 secs Computing kpt #: 148 total cpu time spent up to now is 99.2 secs Computing kpt #: 149 total cpu time spent up to now is 99.6 secs Computing kpt #: 150 total cpu time spent up to now is 100.0 secs Computing kpt #: 151 total cpu time spent up to now is 100.3 secs Computing kpt #: 152 total cpu time spent up to now is 100.9 secs Computing kpt #: 153 total cpu time spent up to now is 101.3 secs Computing kpt #: 154 total cpu time spent up to now is 101.6 secs Computing kpt #: 155 total cpu time spent up to now is 102.0 secs Computing kpt #: 156 total cpu time spent up to now is 102.4 secs Computing kpt #: 157 total cpu time spent up to now is 102.8 secs Computing kpt #: 158 total cpu time spent up to now is 103.2 secs Computing kpt #: 159 total cpu time spent up to now is 103.6 secs Computing kpt #: 160 total cpu time spent up to now is 104.0 secs Computing kpt #: 161 total cpu time spent up to now is 104.8 secs Computing kpt #: 162 total cpu time spent up to now is 106.0 secs Computing kpt #: 163 total cpu time spent up to now is 106.4 secs Computing kpt #: 164 total cpu time spent up to now is 106.9 secs Computing kpt #: 165 total cpu time spent up to now is 107.2 secs Computing kpt #: 166 total cpu time spent up to now is 107.6 secs Computing kpt #: 167 total cpu time spent up to now is 107.9 secs Computing kpt #: 168 total cpu time spent up to now is 108.3 secs Computing kpt #: 169 total cpu time spent up to now is 108.6 secs Computing kpt #: 170 total cpu time spent up to now is 109.0 secs Computing kpt #: 171 total cpu time spent up to now is 109.9 secs Computing kpt #: 172 total cpu time spent up to now is 110.4 secs Computing kpt #: 173 total cpu time spent up to now is 110.8 secs Computing kpt #: 174 total cpu time spent up to now is 111.2 secs Computing kpt #: 175 total cpu time spent up to now is 111.5 secs Computing kpt #: 176 total cpu time spent up to now is 111.9 secs Computing kpt #: 177 total cpu time spent up to now is 112.2 secs Computing kpt #: 178 total cpu time spent up to now is 112.5 secs Computing kpt #: 179 total cpu time spent up to now is 112.8 secs Computing kpt #: 180 total cpu time spent up to now is 113.2 secs Computing kpt #: 181 total cpu time spent up to now is 113.5 secs Computing kpt #: 182 total cpu time spent up to now is 113.8 secs Computing kpt #: 183 total cpu time spent up to now is 114.1 secs Computing kpt #: 184 total cpu time spent up to now is 114.4 secs Computing kpt #: 185 total cpu time spent up to now is 114.7 secs Computing kpt #: 186 total cpu time spent up to now is 115.0 secs Computing kpt #: 187 total cpu time spent up to now is 116.0 secs Computing kpt #: 188 total cpu time spent up to now is 117.3 secs Computing kpt #: 189 total cpu time spent up to now is 117.7 secs Computing kpt #: 190 total cpu time spent up to now is 118.0 secs Computing kpt #: 191 total cpu time spent up to now is 118.4 secs Computing kpt #: 192 total cpu time spent up to now is 118.8 secs Computing kpt #: 193 total cpu time spent up to now is 119.1 secs Computing kpt #: 194 total cpu time spent up to now is 119.4 secs Computing kpt #: 195 total cpu time spent up to now is 119.8 secs Computing kpt #: 196 total cpu time spent up to now is 120.3 secs Computing kpt #: 197 total cpu time spent up to now is 123.6 secs Computing kpt #: 198 total cpu time spent up to now is 124.0 secs Computing kpt #: 199 total cpu time spent up to now is 124.4 secs Computing kpt #: 200 total cpu time spent up to now is 124.7 secs Computing kpt #: 201 total cpu time spent up to now is 125.0 secs Computing kpt #: 202 total cpu time spent up to now is 125.3 secs Computing kpt #: 203 total cpu time spent up to now is 125.6 secs Computing kpt #: 204 total cpu time spent up to now is 126.0 secs Computing kpt #: 205 total cpu time spent up to now is 126.3 secs Computing kpt #: 206 total cpu time spent up to now is 126.5 secs Computing kpt #: 207 total cpu time spent up to now is 126.8 secs Computing kpt #: 208 total cpu time spent up to now is 127.1 secs Computing kpt #: 209 total cpu time spent up to now is 127.4 secs Computing kpt #: 210 total cpu time spent up to now is 127.7 secs Computing kpt #: 211 total cpu time spent up to now is 128.0 secs Computing kpt #: 212 total cpu time spent up to now is 128.4 secs Computing kpt #: 213 total cpu time spent up to now is 128.7 secs Computing kpt #: 214 total cpu time spent up to now is 129.1 secs Computing kpt #: 215 total cpu time spent up to now is 129.4 secs Computing kpt #: 216 total cpu time spent up to now is 129.8 secs Computing kpt #: 217 total cpu time spent up to now is 130.1 secs Computing kpt #: 218 total cpu time spent up to now is 130.4 secs Computing kpt #: 219 total cpu time spent up to now is 130.8 secs Computing kpt #: 220 total cpu time spent up to now is 131.1 secs Computing kpt #: 221 total cpu time spent up to now is 131.4 secs Computing kpt #: 222 total cpu time spent up to now is 131.8 secs Computing kpt #: 223 total cpu time spent up to now is 132.1 secs Computing kpt #: 224 total cpu time spent up to now is 132.5 secs Computing kpt #: 225 total cpu time spent up to now is 132.9 secs Computing kpt #: 226 total cpu time spent up to now is 133.3 secs Computing kpt #: 227 total cpu time spent up to now is 133.7 secs Computing kpt #: 228 total cpu time spent up to now is 134.1 secs Computing kpt #: 229 total cpu time spent up to now is 134.4 secs Computing kpt #: 230 total cpu time spent up to now is 134.8 secs Computing kpt #: 231 total cpu time spent up to now is 135.1 secs Computing kpt #: 232 total cpu time spent up to now is 135.4 secs Computing kpt #: 233 total cpu time spent up to now is 135.7 secs Computing kpt #: 234 total cpu time spent up to now is 136.0 secs Computing kpt #: 235 total cpu time spent up to now is 136.3 secs Computing kpt #: 236 total cpu time spent up to now is 136.6 secs Computing kpt #: 237 total cpu time spent up to now is 136.8 secs Computing kpt #: 238 total cpu time spent up to now is 137.1 secs Computing kpt #: 239 total cpu time spent up to now is 137.4 secs Computing kpt #: 240 total cpu time spent up to now is 137.7 secs Computing kpt #: 241 total cpu time spent up to now is 138.0 secs Computing kpt #: 242 total cpu time spent up to now is 138.2 secs Computing kpt #: 243 total cpu time spent up to now is 138.5 secs Computing kpt #: 244 total cpu time spent up to now is 138.9 secs Computing kpt #: 245 total cpu time spent up to now is 139.2 secs Computing kpt #: 246 total cpu time spent up to now is 139.6 secs Computing kpt #: 247 total cpu time spent up to now is 139.9 secs Computing kpt #: 248 total cpu time spent up to now is 140.3 secs Computing kpt #: 249 total cpu time spent up to now is 140.6 secs Computing kpt #: 250 total cpu time spent up to now is 142.1 secs Computing kpt #: 251 total cpu time spent up to now is 142.4 secs Computing kpt #: 252 total cpu time spent up to now is 142.8 secs Computing kpt #: 253 total cpu time spent up to now is 143.0 secs Computing kpt #: 254 total cpu time spent up to now is 143.3 secs Computing kpt #: 255 total cpu time spent up to now is 143.6 secs Computing kpt #: 256 total cpu time spent up to now is 143.9 secs Computing kpt #: 257 total cpu time spent up to now is 144.2 secs Computing kpt #: 258 total cpu time spent up to now is 144.5 secs Computing kpt #: 259 total cpu time spent up to now is 144.8 secs Computing kpt #: 260 total cpu time spent up to now is 145.1 secs Computing kpt #: 261 total cpu time spent up to now is 145.9 secs Computing kpt #: 262 total cpu time spent up to now is 146.3 secs Computing kpt #: 263 total cpu time spent up to now is 146.7 secs Computing kpt #: 264 total cpu time spent up to now is 147.0 secs Computing kpt #: 265 total cpu time spent up to now is 147.4 secs Computing kpt #: 266 total cpu time spent up to now is 147.8 secs Computing kpt #: 267 total cpu time spent up to now is 148.2 secs Computing kpt #: 268 total cpu time spent up to now is 148.5 secs Computing kpt #: 269 total cpu time spent up to now is 148.8 secs Computing kpt #: 270 total cpu time spent up to now is 149.1 secs Computing kpt #: 271 total cpu time spent up to now is 149.3 secs Computing kpt #: 272 total cpu time spent up to now is 149.6 secs Computing kpt #: 273 total cpu time spent up to now is 149.9 secs Computing kpt #: 274 total cpu time spent up to now is 150.1 secs Computing kpt #: 275 total cpu time spent up to now is 150.4 secs Computing kpt #: 276 total cpu time spent up to now is 150.7 secs Computing kpt #: 277 total cpu time spent up to now is 150.9 secs Computing kpt #: 278 total cpu time spent up to now is 151.2 secs Computing kpt #: 279 total cpu time spent up to now is 151.6 secs Computing kpt #: 280 total cpu time spent up to now is 151.8 secs Computing kpt #: 281 total cpu time spent up to now is 152.2 secs Computing kpt #: 282 total cpu time spent up to now is 152.6 secs Computing kpt #: 283 total cpu time spent up to now is 152.9 secs Computing kpt #: 284 total cpu time spent up to now is 153.2 secs Computing kpt #: 285 total cpu time spent up to now is 153.4 secs Computing kpt #: 286 total cpu time spent up to now is 153.7 secs Computing kpt #: 287 total cpu time spent up to now is 153.9 secs Computing kpt #: 288 total cpu time spent up to now is 154.2 secs Computing kpt #: 289 total cpu time spent up to now is 154.4 secs Computing kpt #: 290 total cpu time spent up to now is 154.7 secs Computing kpt #: 291 total cpu time spent up to now is 155.0 secs Computing kpt #: 292 total cpu time spent up to now is 155.2 secs Computing kpt #: 293 total cpu time spent up to now is 155.5 secs Computing kpt #: 294 total cpu time spent up to now is 155.8 secs Computing kpt #: 295 total cpu time spent up to now is 156.1 secs Computing kpt #: 296 total cpu time spent up to now is 156.4 secs Computing kpt #: 297 total cpu time spent up to now is 156.7 secs Computing kpt #: 298 total cpu time spent up to now is 157.1 secs Computing kpt #: 299 total cpu time spent up to now is 157.4 secs Computing kpt #: 300 total cpu time spent up to now is 157.7 secs Computing kpt #: 301 total cpu time spent up to now is 158.1 secs Computing kpt #: 302 total cpu time spent up to now is 158.4 secs Computing kpt #: 303 total cpu time spent up to now is 159.0 secs Computing kpt #: 304 total cpu time spent up to now is 159.6 secs Computing kpt #: 305 total cpu time spent up to now is 160.2 secs Computing kpt #: 306 total cpu time spent up to now is 160.7 secs Computing kpt #: 307 total cpu time spent up to now is 161.1 secs Computing kpt #: 308 total cpu time spent up to now is 161.5 secs Computing kpt #: 309 total cpu time spent up to now is 161.9 secs Computing kpt #: 310 total cpu time spent up to now is 162.2 secs Computing kpt #: 311 total cpu time spent up to now is 162.6 secs Computing kpt #: 312 total cpu time spent up to now is 163.0 secs Computing kpt #: 313 total cpu time spent up to now is 163.4 secs Computing kpt #: 314 total cpu time spent up to now is 163.8 secs Computing kpt #: 315 total cpu time spent up to now is 164.5 secs Computing kpt #: 316 total cpu time spent up to now is 165.0 secs Computing kpt #: 317 total cpu time spent up to now is 165.5 secs Computing kpt #: 318 total cpu time spent up to now is 166.0 secs Computing kpt #: 319 total cpu time spent up to now is 166.3 secs Computing kpt #: 320 total cpu time spent up to now is 167.2 secs Computing kpt #: 321 total cpu time spent up to now is 168.1 secs Computing kpt #: 322 total cpu time spent up to now is 168.8 secs Computing kpt #: 323 total cpu time spent up to now is 169.6 secs Computing kpt #: 324 total cpu time spent up to now is 170.5 secs Computing kpt #: 325 total cpu time spent up to now is 170.9 secs Computing kpt #: 326 total cpu time spent up to now is 171.3 secs Computing kpt #: 327 total cpu time spent up to now is 171.6 secs Computing kpt #: 328 total cpu time spent up to now is 171.9 secs Computing kpt #: 329 total cpu time spent up to now is 172.2 secs Computing kpt #: 330 total cpu time spent up to now is 172.5 secs Computing kpt #: 331 total cpu time spent up to now is 172.8 secs Computing kpt #: 332 total cpu time spent up to now is 173.1 secs Computing kpt #: 333 total cpu time spent up to now is 173.3 secs Computing kpt #: 334 total cpu time spent up to now is 173.6 secs Computing kpt #: 335 total cpu time spent up to now is 173.9 secs Computing kpt #: 336 total cpu time spent up to now is 174.2 secs Computing kpt #: 337 total cpu time spent up to now is 174.4 secs Computing kpt #: 338 total cpu time spent up to now is 174.7 secs Computing kpt #: 339 total cpu time spent up to now is 175.0 secs Computing kpt #: 340 total cpu time spent up to now is 175.4 secs Computing kpt #: 341 total cpu time spent up to now is 175.6 secs Computing kpt #: 342 total cpu time spent up to now is 175.9 secs Computing kpt #: 343 total cpu time spent up to now is 176.2 secs Computing kpt #: 344 total cpu time spent up to now is 176.5 secs Computing kpt #: 345 total cpu time spent up to now is 176.7 secs Computing kpt #: 346 total cpu time spent up to now is 177.1 secs Computing kpt #: 347 total cpu time spent up to now is 177.6 secs Computing kpt #: 348 total cpu time spent up to now is 179.0 secs Computing kpt #: 349 total cpu time spent up to now is 179.4 secs Computing kpt #: 350 total cpu time spent up to now is 180.0 secs Computing kpt #: 351 total cpu time spent up to now is 180.3 secs Computing kpt #: 352 total cpu time spent up to now is 181.0 secs Computing kpt #: 353 total cpu time spent up to now is 181.3 secs Computing kpt #: 354 total cpu time spent up to now is 181.7 secs Computing kpt #: 355 total cpu time spent up to now is 182.1 secs Computing kpt #: 356 total cpu time spent up to now is 182.5 secs Computing kpt #: 357 total cpu time spent up to now is 182.9 secs Computing kpt #: 358 total cpu time spent up to now is 183.3 secs Computing kpt #: 359 total cpu time spent up to now is 183.7 secs Computing kpt #: 360 total cpu time spent up to now is 184.1 secs Computing kpt #: 361 total cpu time spent up to now is 184.5 secs Computing kpt #: 362 total cpu time spent up to now is 184.8 secs Computing kpt #: 363 total cpu time spent up to now is 185.2 secs Computing kpt #: 364 total cpu time spent up to now is 185.5 secs Computing kpt #: 365 total cpu time spent up to now is 185.9 secs Computing kpt #: 366 total cpu time spent up to now is 186.2 secs Computing kpt #: 367 total cpu time spent up to now is 186.5 secs Computing kpt #: 368 total cpu time spent up to now is 186.8 secs Computing kpt #: 369 total cpu time spent up to now is 187.2 secs Computing kpt #: 370 total cpu time spent up to now is 187.5 secs Computing kpt #: 371 total cpu time spent up to now is 187.9 secs Computing kpt #: 372 total cpu time spent up to now is 188.2 secs Computing kpt #: 373 total cpu time spent up to now is 188.6 secs Computing kpt #: 374 total cpu time spent up to now is 188.9 secs Computing kpt #: 375 total cpu time spent up to now is 189.2 secs Computing kpt #: 376 total cpu time spent up to now is 189.5 secs Computing kpt #: 377 total cpu time spent up to now is 189.9 secs Computing kpt #: 378 total cpu time spent up to now is 190.2 secs Computing kpt #: 379 total cpu time spent up to now is 190.5 secs Computing kpt #: 380 total cpu time spent up to now is 190.8 secs Computing kpt #: 381 total cpu time spent up to now is 191.1 secs Computing kpt #: 382 total cpu time spent up to now is 191.4 secs Computing kpt #: 383 total cpu time spent up to now is 194.7 secs Computing kpt #: 384 total cpu time spent up to now is 195.0 secs Computing kpt #: 385 total cpu time spent up to now is 195.4 secs Computing kpt #: 386 total cpu time spent up to now is 195.8 secs Computing kpt #: 387 total cpu time spent up to now is 196.2 secs Computing kpt #: 388 total cpu time spent up to now is 196.6 secs Computing kpt #: 389 total cpu time spent up to now is 197.0 secs Computing kpt #: 390 total cpu time spent up to now is 197.4 secs Computing kpt #: 391 total cpu time spent up to now is 197.8 secs Computing kpt #: 392 total cpu time spent up to now is 198.1 secs Computing kpt #: 393 total cpu time spent up to now is 198.4 secs Computing kpt #: 394 total cpu time spent up to now is 198.9 secs Computing kpt #: 395 total cpu time spent up to now is 199.2 secs Computing kpt #: 396 total cpu time spent up to now is 199.6 secs Computing kpt #: 397 total cpu time spent up to now is 199.9 secs Computing kpt #: 398 total cpu time spent up to now is 200.3 secs Computing kpt #: 399 total cpu time spent up to now is 200.6 secs Computing kpt #: 400 total cpu time spent up to now is 201.0 secs Computing kpt #: 401 total cpu time spent up to now is 201.3 secs Computing kpt #: 402 total cpu time spent up to now is 201.6 secs Computing kpt #: 403 total cpu time spent up to now is 201.9 secs Computing kpt #: 404 total cpu time spent up to now is 202.2 secs Computing kpt #: 405 total cpu time spent up to now is 202.6 secs Computing kpt #: 406 total cpu time spent up to now is 202.9 secs Computing kpt #: 407 total cpu time spent up to now is 203.2 secs Computing kpt #: 408 total cpu time spent up to now is 203.5 secs Computing kpt #: 409 total cpu time spent up to now is 203.8 secs Computing kpt #: 410 total cpu time spent up to now is 204.2 secs Computing kpt #: 411 total cpu time spent up to now is 204.7 secs Computing kpt #: 412 total cpu time spent up to now is 205.1 secs Computing kpt #: 413 total cpu time spent up to now is 205.4 secs Computing kpt #: 414 total cpu time spent up to now is 205.6 secs Computing kpt #: 415 total cpu time spent up to now is 205.8 secs Computing kpt #: 416 total cpu time spent up to now is 206.0 secs Computing kpt #: 417 total cpu time spent up to now is 206.2 secs Computing kpt #: 418 total cpu time spent up to now is 206.4 secs Computing kpt #: 419 total cpu time spent up to now is 206.6 secs Computing kpt #: 420 total cpu time spent up to now is 206.8 secs Computing kpt #: 421 total cpu time spent up to now is 207.0 secs Computing kpt #: 422 total cpu time spent up to now is 207.2 secs Computing kpt #: 423 total cpu time spent up to now is 207.4 secs Computing kpt #: 424 total cpu time spent up to now is 207.6 secs Computing kpt #: 425 total cpu time spent up to now is 207.9 secs Computing kpt #: 426 total cpu time spent up to now is 208.1 secs Computing kpt #: 427 total cpu time spent up to now is 208.3 secs Computing kpt #: 428 total cpu time spent up to now is 208.6 secs Computing kpt #: 429 total cpu time spent up to now is 208.9 secs Computing kpt #: 430 total cpu time spent up to now is 209.2 secs Computing kpt #: 431 total cpu time spent up to now is 209.4 secs Computing kpt #: 432 total cpu time spent up to now is 209.8 secs Computing kpt #: 433 total cpu time spent up to now is 210.1 secs Computing kpt #: 434 total cpu time spent up to now is 210.3 secs Computing kpt #: 435 total cpu time spent up to now is 210.5 secs Computing kpt #: 436 total cpu time spent up to now is 210.8 secs Computing kpt #: 437 total cpu time spent up to now is 211.0 secs Computing kpt #: 438 total cpu time spent up to now is 211.2 secs Computing kpt #: 439 total cpu time spent up to now is 211.5 secs Computing kpt #: 440 total cpu time spent up to now is 211.8 secs Computing kpt #: 441 total cpu time spent up to now is 212.1 secs Computing kpt #: 442 total cpu time spent up to now is 212.4 secs Computing kpt #: 443 total cpu time spent up to now is 212.8 secs Computing kpt #: 444 total cpu time spent up to now is 213.3 secs Computing kpt #: 445 total cpu time spent up to now is 213.6 secs Computing kpt #: 446 total cpu time spent up to now is 213.9 secs Computing kpt #: 447 total cpu time spent up to now is 214.3 secs Computing kpt #: 448 total cpu time spent up to now is 214.7 secs ethr = 6.25E-11, avg # of iterations = 22.3 total cpu time spent up to now is 214.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1539 PWs) bands (ev): -6.3535 -6.3535 -1.5771 -1.5771 0.6853 0.6853 5.1686 5.1686 5.2483 5.2483 9.3768 9.3768 9.5029 9.5029 9.5090 9.5090 10.7661 10.7661 10.9718 10.9718 12.7708 12.7708 12.8939 12.8939 k = 0.0000 0.0102-0.0000 ( 1539 PWs) bands (ev): -6.3523 -6.3523 -1.5767 -1.5767 0.6854 0.6868 5.1631 5.1665 5.2449 5.2451 9.3708 9.3709 9.4956 9.4958 9.5046 9.5047 10.7714 10.7726 10.9787 10.9787 12.7725 12.7761 12.8960 12.8961 k = 0.0000 0.0204-0.0000 ( 1535 PWs) bands (ev): -6.3486 -6.3486 -1.5754 -1.5753 0.6872 0.6899 5.1467 5.1542 5.2375 5.2386 9.3510 9.3526 9.4696 9.4719 9.4962 9.4967 10.7872 10.7892 11.0005 11.0008 12.7805 12.7876 12.9024 12.9032 k = 0.0000 0.0306-0.0000 ( 1537 PWs) bands (ev): -6.3424 -6.3424 -1.5732 -1.5731 0.6906 0.6947 5.1140 5.1254 5.2329 5.2350 9.3136 9.3196 9.4269 9.4346 9.4857 9.4869 10.8093 10.8116 11.0408 11.0419 12.7940 12.8040 12.9132 12.9155 k = 0.0000 0.0408-0.0000 ( 1545 PWs) bands (ev): -6.3338 -6.3338 -1.5702 -1.5701 0.6956 0.7011 5.0636 5.0783 5.2344 5.2367 9.2554 9.2692 9.3711 9.3875 9.4745 9.4763 10.8331 10.8350 11.1032 11.1056 12.8115 12.8234 12.9288 12.9333 k = 0.0000 0.0510-0.0000 ( 1553 PWs) bands (ev): -6.3227 -6.3227 -1.5664 -1.5664 0.7022 0.7091 4.9978 5.0151 5.2407 5.2429 9.1769 9.1993 9.3060 9.3318 9.4634 9.4655 10.8559 10.8571 11.1889 11.1928 12.8317 12.8442 12.9495 12.9571 k = 0.0000 0.0612-0.0000 ( 1547 PWs) bands (ev): -6.3091 -6.3091 -1.5620 -1.5619 0.7104 0.7187 4.9190 4.9389 5.2506 5.2526 9.0808 9.1103 9.2340 9.2677 9.4523 9.4544 10.8775 10.8780 11.2968 11.3021 12.8539 12.8659 12.9758 12.9866 k = 0.0000 0.0714-0.0000 ( 1551 PWs) bands (ev): -6.2930 -6.2930 -1.5569 -1.5568 0.7201 0.7298 4.8296 4.8518 5.2633 5.2651 8.9703 9.0049 9.1555 9.1951 9.4409 9.4429 10.8985 10.8987 11.4243 11.4309 12.8774 12.8882 13.0074 13.0215 k = 0.0000 0.0816-0.0000 ( 1549 PWs) bands (ev): -6.2745 -6.2745 -1.5514 -1.5513 0.7313 0.7425 4.7316 4.7560 5.2786 5.2802 8.8480 8.8864 9.0702 9.1142 9.4286 9.4305 10.9195 10.9203 11.5692 11.5768 12.9021 12.9114 13.0442 13.0609 k = 0.0000 0.0918-0.0000 ( 1557 PWs) bands (ev): -6.2536 -6.2535 -1.5455 -1.5454 0.7439 0.7567 4.6267 4.6533 5.2961 5.2976 8.7160 8.7572 8.9783 9.0257 9.4154 9.4171 10.9415 10.9428 11.7291 11.7376 12.9280 12.9360 13.0855 13.1042 k = 0.0000 0.1020-0.0000 ( 1555 PWs) bands (ev): -6.2301 -6.2301 -1.5394 -1.5393 0.7579 0.7723 4.5165 4.5453 5.3159 5.3173 8.5763 8.6195 8.8800 8.9302 9.4009 9.4025 10.9649 10.9667 11.9023 11.9113 12.9554 12.9623 13.1307 13.1508 k = 0.0000 0.1122-0.0000 ( 1555 PWs) bands (ev): -6.2043 -6.2043 -1.5333 -1.5331 0.7733 0.7894 4.4027 4.4336 5.3379 5.3391 8.4303 8.4749 8.7760 8.8283 9.3851 9.3865 10.9900 10.9923 12.0868 12.0963 12.9846 12.9904 13.1793 13.2001 k = 0.0000 0.1224-0.0000 ( 1555 PWs) bands (ev): -6.1760 -6.1759 -1.5273 -1.5272 0.7899 0.8077 4.2866 4.3196 5.3620 5.3631 8.2790 8.3248 8.6668 8.7209 9.3677 9.3691 11.0168 11.0195 12.2811 12.2907 13.0157 13.0207 13.2311 13.2520 k = 0.0000 0.1327-0.0000 ( 1555 PWs) bands (ev): -6.1452 -6.1452 -1.5218 -1.5216 0.8078 0.8274 4.1695 4.2046 5.3881 5.3892 8.1236 8.1703 8.5530 8.6085 9.3487 9.3500 11.0456 11.0487 12.4833 12.4928 13.0488 13.0531 13.2859 13.3066 k = 0.0000 0.1429-0.0000 ( 1551 PWs) bands (ev): -6.1121 -6.1121 -1.5169 -1.5168 0.8268 0.8483 4.0526 4.0898 5.4164 5.4173 7.9648 8.0121 8.4351 8.4917 9.3281 9.3293 11.0763 11.0797 12.6910 12.7003 13.0841 13.0878 13.3445 13.3647 k = 0.0000 0.1531-0.0000 ( 1559 PWs) bands (ev): -6.0766 -6.0765 -1.5130 -1.5128 0.8469 0.8703 3.9371 3.9763 5.4466 5.4475 7.8035 7.8512 8.3138 8.3712 9.3058 9.3069 11.1089 11.1127 12.9007 12.9094 13.1216 13.1248 13.4088 13.4285 k = 0.0000 0.1633-0.0000 ( 1555 PWs) bands (ev): -6.0386 -6.0385 -1.5103 -1.5102 0.8680 0.8934 3.8240 3.8653 5.4789 5.4797 7.6401 7.6881 8.1894 8.2475 9.2816 9.2826 11.1436 11.1478 13.1047 13.1123 13.1618 13.1643 13.4849 13.5041 k = 0.0000 0.1735-0.0000 ( 1555 PWs) bands (ev): -5.9983 -5.9982 -1.5093 -1.5092 0.8901 0.9175 3.7143 3.7578 5.5131 5.5139 7.4753 7.5234 8.0624 8.1210 9.2555 9.2565 11.1803 11.1848 13.2032 13.2057 13.2867 13.2921 13.5884 13.6069 k = 0.0000 0.1837-0.0000 ( 1551 PWs) bands (ev): -5.9555 -5.9555 -1.5102 -1.5102 0.9130 0.9426 3.6090 3.6547 5.5493 5.5500 7.3094 7.3576 7.9332 7.9922 9.2275 9.2284 11.2190 11.2238 13.2478 13.2498 13.4217 13.4236 13.7391 13.7582 k = 0.0000 0.1939-0.0000 ( 1567 PWs) bands (ev): -5.9105 -5.9104 -1.5136 -1.5135 0.9368 0.9686 3.5089 3.5568 5.5875 5.5881 7.1429 7.1910 7.8023 7.8614 9.1976 9.1984 11.2597 11.2648 13.2947 13.2963 13.5129 13.5130 13.9236 13.9495 k = 0.0000 0.2041-0.0000 ( 1567 PWs) bands (ev): -5.8630 -5.8629 -1.5198 -1.5197 0.9615 0.9954 3.4150 3.4651 5.6275 5.6281 6.9761 7.0240 7.6699 7.7291 9.1656 9.1664 11.3023 11.3078 13.3439 13.3452 13.5816 13.5819 14.1018 14.1413 k = 0.0000 0.2143-0.0000 ( 1567 PWs) bands (ev): -5.8133 -5.8131 -1.5292 -1.5290 0.9870 1.0230 3.3280 3.3802 5.6694 5.6699 6.8093 6.8570 7.5363 7.5955 9.1315 9.1323 11.3470 11.3527 13.3955 13.3965 13.6403 13.6409 14.2416 14.2864 k = 0.0000 0.2245-0.0000 ( 1571 PWs) bands (ev): -5.7612 -5.7611 -1.5424 -1.5421 1.0134 1.0515 3.2486 3.3030 5.7131 5.7135 6.6428 6.6901 7.4019 7.4611 9.0954 9.0961 11.3935 11.3996 13.4494 13.4501 13.6928 13.6948 14.3466 14.3880 k = 0.0000 0.2347-0.0000 ( 1575 PWs) bands (ev): -5.7069 -5.7067 -1.5597 -1.5592 1.0408 1.0809 3.1775 3.2339 5.7587 5.7587 6.4769 6.5237 7.2669 7.3259 9.0572 9.0578 11.4420 11.4484 13.5057 13.5060 13.7411 13.7445 14.4352 14.4740 k = 0.0000 0.2449-0.0000 ( 1585 PWs) bands (ev): -5.6502 -5.6500 -1.5815 -1.5809 1.0693 1.1113 3.1152 3.1736 5.8055 5.8059 6.3119 6.3580 7.1316 7.1903 9.0168 9.0174 11.4924 11.4991 13.5643 13.5644 13.7857 13.7906 14.5171 14.5546 k = 0.0000 0.2551-0.0000 ( 1585 PWs) bands (ev): -5.5913 -5.5911 -1.6082 -1.6074 1.0990 1.1428 3.0621 3.1224 5.8532 5.8547 6.1486 6.1933 6.9961 7.0546 8.9743 8.9749 11.5446 11.5516 13.6248 13.6254 13.8267 13.8330 14.5961 14.6333 k = 0.0000 0.2653-0.0000 ( 1575 PWs) bands (ev): -5.5302 -5.5300 -1.6401 -1.6391 1.1303 1.1756 3.0186 3.0805 5.8958 5.9044 5.9932 6.0303 6.8607 6.9188 8.9297 8.9303 11.5986 11.6059 13.6875 13.6887 13.8642 13.8715 14.6743 14.7115 k = 0.0000 0.2755-0.0000 ( 1569 PWs) bands (ev): -5.4669 -5.4666 -1.6774 -1.6762 1.1634 1.2100 2.9848 3.0481 5.8122 5.8637 5.9604 5.9668 6.7257 6.7833 8.8830 8.8836 11.6544 11.6620 13.7521 13.7544 13.8980 13.9059 14.7526 14.7899 k = 0.0000 0.2857-0.0000 ( 1573 PWs) bands (ev): -5.4015 -5.4012 -1.7203 -1.7189 1.1985 1.2462 2.9607 3.0252 5.6550 5.7037 6.0126 6.0170 6.5912 6.6482 8.8342 8.8348 11.7119 11.7197 13.8182 13.8223 13.9283 13.9357 14.8317 14.8690 k = 0.0000 0.2959-0.0000 ( 1577 PWs) bands (ev): -5.3339 -5.3336 -1.7689 -1.7673 1.2360 1.2845 2.9462 3.0116 5.4963 5.5439 6.0672 6.0716 6.4578 6.5137 8.7834 8.7839 11.7710 11.7791 13.8841 13.8924 13.9565 13.9608 14.9121 14.9492 k = 0.0000 0.3061-0.0000 ( 1573 PWs) bands (ev): -5.2643 -5.2639 -1.8230 -1.8212 1.2762 1.3254 2.9410 3.0071 5.3386 5.3854 6.1218 6.1282 6.3267 6.3800 8.7306 8.7311 11.8317 11.8401 13.9404 13.9641 13.9812 13.9913 14.9941 15.0308 k = 0.0000 0.3163-0.0000 ( 1573 PWs) bands (ev): -5.1926 -5.1921 -1.8826 -1.8806 1.3194 1.3689 2.9448 3.0115 5.1823 5.2286 6.1545 6.1853 6.2200 6.2483 8.6758 8.6763 11.8939 11.9026 13.9696 13.9943 14.0399 14.0502 15.0779 15.1141 k = 0.0000 0.3265-0.0000 ( 1577 PWs) bands (ev): -5.1189 -5.1184 -1.9475 -1.9453 1.3658 1.4156 2.9572 3.0241 5.0277 5.0735 6.0513 6.1136 6.2479 6.2515 8.6192 8.6196 11.9574 11.9664 13.9819 14.0030 14.1163 14.1225 15.1639 15.1993 k = 0.0000 0.3367-0.0000 ( 1583 PWs) bands (ev): -5.0433 -5.0428 -2.0173 -2.0150 1.4158 1.4656 2.9777 3.0447 4.8750 4.9203 5.9233 5.9832 6.3088 6.3103 8.5607 8.5611 12.0223 12.0316 13.9859 14.0057 14.1950 14.1994 15.2520 15.2865 k = 0.0000 0.3469-0.0000 ( 1581 PWs) bands (ev): -4.9659 -4.9653 -2.0916 -2.0892 1.4696 1.5192 3.0058 3.0728 4.7241 4.7689 5.7947 5.8536 6.3714 6.3721 8.5006 8.5010 12.0884 12.0980 13.9832 14.0023 14.2756 14.2791 15.3425 15.3759 k = 0.0000 0.3571-0.0000 ( 1579 PWs) bands (ev): -4.8866 -4.8860 -2.1701 -2.1677 1.5271 1.5766 3.0410 3.1078 4.5753 4.6196 5.6671 5.7253 6.4353 6.4357 8.4388 8.4392 12.1556 12.1654 13.9742 13.9929 14.3582 14.3610 15.4354 15.4676 k = 0.0000 0.3673-0.0000 ( 1579 PWs) bands (ev): -4.8057 -4.8050 -2.2524 -2.2499 1.5887 1.6378 3.0828 3.1494 4.4286 4.4725 5.5406 5.5984 6.5004 6.5006 8.3755 8.3759 12.2237 12.2338 13.9591 13.9776 14.4424 14.4448 15.5307 15.5616 k = 0.0000 0.3776-0.0000 ( 1577 PWs) bands (ev): -4.7232 -4.7224 -2.3378 -2.3353 1.6542 1.7030 3.1306 3.1970 4.2842 4.3275 5.4156 5.4730 6.5665 6.5666 8.3109 8.3112 12.2925 12.3028 13.9383 13.9564 14.5283 14.5304 15.6285 15.6579 k = 0.0000 0.3878-0.0000 ( 1577 PWs) bands (ev): -4.6393 -4.6384 -2.4260 -2.4235 1.7238 1.7722 3.1840 3.2503 4.1421 4.1847 5.2921 5.3493 6.6337 6.6337 8.2449 8.2453 12.3619 12.3724 13.9121 13.9298 14.6155 14.6173 15.7287 15.7566 k = 0.0000 0.3980-0.0000 ( 1573 PWs) bands (ev): -4.5541 -4.5532 -2.5164 -2.5138 1.7974 1.8454 3.2424 3.3088 4.0026 4.0443 5.1704 5.2273 6.7016 6.7016 8.1779 8.1782 12.4315 12.4422 13.8807 13.8980 14.7038 14.7054 15.8313 15.8578 k = 0.0000 0.4082-0.0000 ( 1569 PWs) bands (ev): -4.4678 -4.4669 -2.6084 -2.6059 1.8750 1.9226 3.3053 3.3722 3.8660 3.9064 5.0504 5.1072 6.7703 6.7704 8.1099 8.1102 12.5011 12.5120 13.8448 13.8617 14.7929 14.7943 15.9363 15.9612 k = 0.0000 0.4184-0.0000 ( 1564 PWs) bands (ev): -4.3808 -4.3798 -2.7013 -2.6989 1.9564 2.0037 3.3714 3.4402 3.7332 3.7710 4.9323 4.9890 6.8395 6.8396 8.0412 8.0415 12.5702 12.5812 13.8050 13.8213 14.8822 14.8835 16.0437 16.0670 k = 0.0000 0.4286-0.0000 ( 1564 PWs) bands (ev): -4.2935 -4.2924 -2.7946 -2.7923 2.0418 2.0887 3.4355 3.5122 3.6092 3.6384 4.8162 4.8728 6.9091 6.9093 7.9719 7.9722 12.6384 12.6493 13.7621 13.7778 14.9711 14.9722 16.1531 16.1750 k = 0.0000 0.4388-0.0000 ( 1560 PWs) bands (ev): -4.2064 -4.2053 -2.8874 -2.8851 2.1308 2.1775 3.4360 3.5065 3.5555 3.5902 4.7022 4.7587 6.9788 6.9790 7.9025 7.9028 12.7048 12.7155 13.7172 13.7320 15.0585 15.0595 16.2643 16.2848 k = 0.0000 0.4490-0.0000 ( 1568 PWs) bands (ev): -4.1206 -4.1194 -2.9784 -2.9763 2.2236 2.2699 3.3268 3.3796 3.6180 3.6697 4.5904 4.6469 7.0482 7.0483 7.8333 7.8336 12.7684 12.7788 13.6715 13.6853 15.1429 15.1438 16.3758 16.3955 k = 0.0000 0.4592-0.0000 ( 1572 PWs) bands (ev): -4.0375 -4.0364 -3.0658 -3.0639 2.3199 2.3661 3.2057 3.2549 3.6985 3.7533 4.4810 4.5373 7.1164 7.1166 7.7652 7.7655 12.8278 12.8375 13.6270 13.6394 15.2222 15.2229 16.4756 16.4947 k = 0.0000 0.4694-0.0000 ( 1572 PWs) bands (ev): -3.9600 -3.9589 -3.1469 -3.1452 2.4197 2.4657 3.0853 3.1330 3.7845 3.8403 4.3741 4.4303 7.1822 7.1824 7.6995 7.6997 12.8808 12.8892 13.5861 13.5966 15.2931 15.2936 16.4596 16.4635 k = 0.0000 0.4796-0.0000 ( 1572 PWs) bands (ev): -3.8929 -3.8919 -3.2165 -3.2152 2.5228 2.5688 2.9671 3.0140 3.8742 3.9300 4.2700 4.3260 7.2425 7.2427 7.6392 7.6394 12.9242 12.9305 13.5525 13.5602 15.3507 15.3511 16.3991 16.4003 k = 0.0000 0.4898-0.0000 ( 1572 PWs) bands (ev): -3.8446 -3.8440 -3.2660 -3.2652 2.6293 2.6753 2.8515 2.8980 3.9665 4.0208 4.1708 4.2251 7.2900 7.2902 7.5917 7.5919 12.9538 12.9573 13.5304 13.5346 15.3892 15.3894 16.3568 16.3573 k = 0.0000 0.5000-0.0000 ( 1568 PWs) bands (ev): -3.8262 -3.8262 -3.2842 -3.2842 2.7388 2.7388 2.7851 2.7851 4.0550 4.0550 4.1337 4.1337 7.3098 7.3098 7.5722 7.5722 12.9655 12.9655 13.5240 13.5240 15.4029 15.4029 16.3419 16.3419 k = 0.0000 0.5000-0.0000 ( 1568 PWs) bands (ev): -3.8262 -3.8262 -3.2842 -3.2842 2.7388 2.7388 2.7851 2.7851 4.0550 4.0550 4.1337 4.1337 7.3098 7.3098 7.5722 7.5722 12.9655 12.9655 13.5240 13.5240 15.4029 15.4029 16.3419 16.3419 k = 0.0102 0.5000-0.0000 ( 1568 PWs) bands (ev): -3.8251 -3.8250 -3.2830 -3.2830 2.7383 2.7393 2.7849 2.7852 4.0558 4.0560 4.1342 4.1351 7.3019 7.3031 7.5608 7.5675 12.9746 12.9752 13.5323 13.5346 15.3853 15.3892 16.2766 16.3323 k = 0.0204 0.5000-0.0000 ( 1576 PWs) bands (ev): -3.8216 -3.8215 -3.2795 -3.2795 2.7378 2.7398 2.7847 2.7853 4.0584 4.0587 4.1365 4.1384 7.2796 7.2820 7.5335 7.5469 13.0021 13.0032 13.5592 13.5635 15.3387 15.3460 16.1651 16.2539 k = 0.0306 0.5000-0.0000 ( 1576 PWs) bands (ev): -3.8157 -3.8155 -3.2737 -3.2737 2.7372 2.7402 2.7844 2.7853 4.0627 4.0632 4.1407 4.1435 7.2434 7.2470 7.4911 7.5109 13.0473 13.0489 13.6037 13.6096 15.2678 15.2780 16.0327 16.1379 k = 0.0408 0.5000-0.0000 ( 1572 PWs) bands (ev): -3.8075 -3.8073 -3.2656 -3.2655 2.7365 2.7405 2.7840 2.7852 4.0688 4.0695 4.1468 4.1505 7.1942 7.1989 7.4345 7.4605 13.1091 13.1111 13.6642 13.6709 15.1785 15.1912 15.8925 16.0069 k = 0.0510 0.5000-0.0000 ( 1560 PWs) bands (ev): -3.7970 -3.7966 -3.2551 -3.2550 2.7356 2.7407 2.7834 2.7849 4.0767 4.0776 4.1547 4.1594 7.1331 7.1389 7.3650 7.3968 13.1858 13.1879 13.7379 13.7445 15.0767 15.0913 15.7517 15.8724 k = 0.0612 0.5000-0.0000 ( 1564 PWs) bands (ev): -3.7841 -3.7837 -3.2423 -3.2422 2.7344 2.7406 2.7825 2.7843 4.0864 4.0873 4.1644 4.1700 7.0613 7.0681 7.2838 7.3212 13.2749 13.2770 13.8210 13.8263 14.9675 14.9837 15.6156 15.7417 k = 0.0714 0.5000-0.0000 ( 1564 PWs) bands (ev): -3.7688 -3.7684 -3.2272 -3.2271 2.7327 2.7401 2.7811 2.7832 4.0977 4.0988 4.1759 4.1825 6.9802 6.9879 7.1926 7.2353 13.3732 13.3750 13.9078 13.9107 14.8559 14.8737 15.4900 15.6214 k = 0.0816 0.5000-0.0000 ( 1560 PWs) bands (ev): -3.7513 -3.7507 -3.2098 -3.2097 2.7305 2.7391 2.7790 2.7816 4.1108 4.1120 4.1892 4.1968 6.8912 6.8997 7.0930 7.1405 13.4760 13.4771 13.9896 13.9899 14.7476 14.7671 15.3825 15.5190 k = 0.0918 0.5000-0.0000 ( 1562 PWs) bands (ev): -3.7314 -3.7308 -3.1901 -3.1900 2.7274 2.7374 2.7762 2.7792 4.1255 4.1269 4.2042 4.2129 6.7956 6.8050 6.9863 7.0384 13.5753 13.5754 14.0520 14.0553 14.6505 14.6718 15.3038 15.4440 k = 0.1020 0.5000-0.0000 ( 1562 PWs) bands (ev): -3.7092 -3.7086 -3.1681 -3.1680 2.7234 2.7347 2.7724 2.7758 4.1419 4.1434 4.2210 4.2307 6.6949 6.7050 6.8742 6.9306 13.6572 13.6584 14.0856 14.0895 14.5771 14.6002 15.2664 15.4063 k = 0.1122 0.5000-0.0000 ( 1558 PWs) bands (ev): -3.6847 -3.6841 -3.1439 -3.1437 2.7181 2.7310 2.7673 2.7713 4.1599 4.1615 4.2394 4.2502 6.5903 6.6011 6.7580 6.8185 13.7043 13.7063 14.0807 14.0810 14.5453 14.5695 15.2778 15.4101 k = 0.1224 0.5000-0.0000 ( 1558 PWs) bands (ev): -3.6580 -3.6573 -3.1174 -3.1172 2.7113 2.7258 2.7607 2.7652 4.1795 4.1812 4.2595 4.2714 6.4831 6.4946 6.6392 6.7035 13.7013 13.7027 14.0289 14.0357 14.5694 14.5930 15.3289 15.4415 k = 0.1327 0.5000-0.0000 ( 1558 PWs) bands (ev): -3.6290 -3.6282 -3.0886 -3.0884 2.7027 2.7189 2.7522 2.7573 4.2007 4.2025 4.2812 4.2943 6.3745 6.3866 6.5189 6.5868 13.6489 13.6492 13.9423 13.9571 14.6442 14.6659 15.3781 15.4461 k = 0.1429 0.5000-0.0000 ( 1562 PWs) bands (ev): -3.5978 -3.5970 -3.0576 -3.0574 2.6920 2.7099 2.7415 2.7473 4.2234 4.2252 4.3045 4.3187 6.2655 6.2782 6.3984 6.4697 13.5604 13.5626 13.8325 13.8545 14.7456 14.7644 15.3389 15.3561 k = 0.1531 0.5000-0.0000 ( 1562 PWs) bands (ev): -3.5644 -3.5635 -3.0244 -3.0242 2.6787 2.6985 2.7282 2.7348 4.2475 4.2494 4.3293 4.3447 6.1573 6.1705 6.2788 6.3533 13.4518 13.4554 13.7083 13.7359 14.8366 14.8512 15.2026 15.2040 k = 0.1633 0.5000-0.0000 ( 1562 PWs) bands (ev): -3.5288 -3.5279 -2.9890 -2.9888 2.6625 2.6843 2.7119 2.7194 4.2730 4.2750 4.3555 4.3721 6.0509 6.0644 6.1612 6.2388 13.3322 13.3369 13.5755 13.6072 14.8615 14.8697 15.0281 15.0343 k = 0.1735 0.5000-0.0000 ( 1562 PWs) bands (ev): -3.4910 -3.4901 -2.9515 -2.9513 2.6430 2.6669 2.6922 2.7007 4.2999 4.3019 4.3831 4.4010 5.9471 5.9609 6.0467 6.1271 13.2068 13.2121 13.4379 13.4726 14.7882 14.7921 14.8475 14.8544 k = 0.1837 0.5000-0.0000 ( 1562 PWs) bands (ev): -3.4512 -3.4502 -2.9118 -2.9116 2.6198 2.6458 2.6686 2.6782 4.3280 4.3301 4.4120 4.4312 5.8468 5.8608 5.9362 6.0192 13.0784 13.0843 13.2978 13.3345 14.6504 14.6563 14.6683 14.6716 k = 0.1939 0.5000-0.0000 ( 1554 PWs) bands (ev): -3.4092 -3.4082 -2.8700 -2.8698 2.5923 2.6207 2.6408 2.6516 4.3574 4.3594 4.4421 4.4627 5.7510 5.7648 5.8308 5.9159 12.9489 12.9551 13.1569 13.1949 14.4771 14.4884 14.4971 14.5002 k = 0.2041 0.5000-0.0000 ( 1550 PWs) bands (ev): -3.3652 -3.3642 -2.8261 -2.8259 2.5603 2.5910 2.6082 2.6203 4.3879 4.3899 4.4733 4.4954 5.6603 5.6735 5.7313 5.8181 12.8195 12.8259 13.0162 13.0549 14.2969 14.3067 14.3285 14.3307 k = 0.2143 0.5000-0.0000 ( 1558 PWs) bands (ev): -3.3192 -3.3182 -2.7802 -2.7800 2.5234 2.5564 2.5705 2.5841 4.4194 4.4214 4.5056 4.5292 5.5754 5.5876 5.6386 5.7265 12.6909 12.6974 12.8766 12.9156 14.1178 14.1269 14.1568 14.1587 k = 0.2245 0.5000-0.0000 ( 1558 PWs) bands (ev): -3.2713 -3.2702 -2.7322 -2.7320 2.4813 2.5166 2.5274 2.5427 4.4518 4.4538 4.5389 4.5640 5.4968 5.5074 5.5535 5.6416 12.5639 12.5704 12.7387 12.7776 13.9410 13.9494 13.9847 13.9864 k = 0.2347 0.5000-0.0000 ( 1550 PWs) bands (ev): -3.2215 -3.2204 -2.6824 -2.6822 2.4337 2.4714 2.4788 2.4958 4.4851 4.4871 4.5729 4.5997 5.4250 5.4333 5.4766 5.5640 12.4389 12.4454 12.6030 12.6416 13.7669 13.7747 13.8136 13.8152 k = 0.2449 0.5000-0.0000 ( 1544 PWs) bands (ev): -3.1699 -3.1688 -2.6306 -2.6304 2.3806 2.4205 2.4244 2.4434 4.5191 4.5210 4.6077 4.6361 5.3604 5.3655 5.4082 5.4940 12.3163 12.3227 12.4700 12.5079 13.5958 13.6030 13.6444 13.6458 k = 0.2551 0.5000-0.0000 ( 1544 PWs) bands (ev): -3.1165 -3.1155 -2.5770 -2.5768 2.3219 2.3633 2.3651 2.3853 4.5537 4.5556 4.6430 4.6733 5.3031 5.3046 5.3482 5.4318 12.1965 12.2027 12.3399 12.3770 13.4280 13.4346 13.4776 13.4789 k = 0.2653 0.5000-0.0000 ( 1552 PWs) bands (ev): -3.0615 -3.0605 -2.5216 -2.5214 2.2578 2.2980 2.3027 2.3218 4.5888 4.5906 4.6787 4.7109 5.2506 5.2531 5.2967 5.3774 12.0797 12.0858 12.2131 12.2493 13.2635 13.2695 13.3138 13.3150 k = 0.2755 0.5000-0.0000 ( 1556 PWs) bands (ev): -3.0050 -3.0040 -2.4645 -2.4643 2.1884 2.2270 2.2355 2.2531 4.6243 4.6259 4.7147 4.7489 5.2039 5.2104 5.2531 5.3308 11.9663 11.9722 12.0900 12.1250 13.1028 13.1082 13.1532 13.1542 k = 0.2857 0.5000-0.0000 ( 1556 PWs) bands (ev): -2.9470 -2.9460 -2.4059 -2.4057 2.1143 2.1509 2.1634 2.1795 4.6599 4.6614 4.7506 4.7871 5.1644 5.1747 5.2170 5.2917 11.8566 11.8623 11.9708 12.0046 12.9458 12.9507 12.9962 12.9971 k = 0.2959 0.5000-0.0000 ( 1564 PWs) bands (ev): -2.8877 -2.8868 -2.3457 -2.3455 2.0357 2.0704 2.0868 2.1014 4.6955 4.6969 4.7865 4.8253 5.1318 5.1458 5.1880 5.2599 11.7508 11.7563 11.8558 11.8883 12.7929 12.7972 12.8429 12.8437 k = 0.3061 0.5000-0.0000 ( 1562 PWs) bands (ev): -2.8273 -2.8263 -2.2841 -2.2839 1.9534 1.9859 2.0062 2.0195 4.7310 4.7322 4.8219 4.8633 5.1058 5.1233 5.1656 5.2348 11.6493 11.6544 11.7453 11.7763 12.6442 12.6479 12.6938 12.6944 k = 0.3163 0.5000-0.0000 ( 1562 PWs) bands (ev): -2.7658 -2.7649 -2.2212 -2.2211 1.8678 1.8983 1.9222 1.9343 4.7662 4.7672 4.8566 4.9010 5.0860 5.1067 5.1493 5.2161 11.5521 11.5570 11.6395 11.6690 12.4999 12.5030 12.5488 12.5494 k = 0.3265 0.5000-0.0000 ( 1562 PWs) bands (ev): -2.7035 -2.7027 -2.1573 -2.1571 1.7798 1.8081 1.8355 1.8465 4.8009 4.8016 4.8903 4.9379 5.0719 5.0956 5.1384 5.2032 11.4598 11.4643 11.5388 11.5667 12.3602 12.3628 12.4084 12.4088 k = 0.3367 0.5000-0.0000 ( 1554 PWs) bands (ev): -2.6406 -2.6398 -2.0924 -2.0923 1.6899 1.7161 1.7467 1.7566 4.8348 4.8353 4.9227 4.9738 5.0630 5.0897 5.1325 5.1956 11.3724 11.3765 11.4434 11.4697 12.2253 12.2273 12.2727 12.2730 k = 0.3469 0.5000-0.0000 ( 1554 PWs) bands (ev): -2.5774 -2.5767 -2.0269 -2.0267 1.5988 1.6231 1.6564 1.6653 4.8678 4.8679 4.9532 5.0080 5.0591 5.0884 5.1312 5.1926 11.2902 11.2940 11.3536 11.3781 12.0954 12.0969 12.1420 12.1421 k = 0.3571 0.5000-0.0000 ( 1546 PWs) bands (ev): -2.5141 -2.5135 -1.9608 -1.9607 1.5075 1.5298 1.5654 1.5735 4.8994 4.8997 4.9814 5.0373 5.0622 5.0916 5.1340 5.1939 11.2135 11.2170 11.2696 11.2923 11.9707 11.9718 12.0164 12.0165 k = 0.3673 0.5000-0.0000 ( 1550 PWs) bands (ev): -2.4511 -2.4505 -1.8946 -1.8945 1.4165 1.4369 1.4744 1.4816 4.9296 4.9303 5.0068 5.0521 5.0808 5.0990 5.1408 5.1987 11.1426 11.1456 11.1917 11.2126 11.8515 11.8521 11.8962 11.8963 k = 0.3776 0.5000-0.0000 ( 1552 PWs) bands (ev): -2.3888 -2.3883 -1.8287 -1.8286 1.3267 1.3453 1.3842 1.3906 4.9582 4.9593 5.0290 5.0592 5.1065 5.1100 5.1519 5.2066 11.0777 11.0802 11.1202 11.1392 11.7379 11.7382 11.7817 11.7818 k = 0.3878 0.5000-0.0000 ( 1552 PWs) bands (ev): -2.3276 -2.3272 -1.7633 -1.7632 1.2390 1.2558 1.2954 1.3012 4.9850 4.9865 5.0481 5.0666 5.1240 5.1292 5.1681 5.2170 11.0189 11.0210 11.0553 11.0724 11.6302 11.6303 11.6730 11.6732 k = 0.3980 0.5000-0.0000 ( 1550 PWs) bands (ev): -2.2680 -2.2676 -1.6990 -1.6989 1.1540 1.1691 1.2091 1.2142 5.0100 5.0117 5.0647 5.0751 5.1396 5.1474 5.1886 5.2293 10.9665 10.9681 10.9973 11.0124 11.5286 11.5289 11.5706 11.5709 k = 0.4082 0.5000-0.0000 ( 1554 PWs) bands (ev): -2.2106 -2.2103 -1.6364 -1.6364 1.0727 1.0861 1.1260 1.1305 5.0331 5.0348 5.0796 5.0844 5.1558 5.1628 5.2109 5.2428 10.9207 10.9217 10.9463 10.9594 11.4335 11.4340 11.4748 11.4750 k = 0.4184 0.5000-0.0000 ( 1554 PWs) bands (ev): -2.1561 -2.1559 -1.5762 -1.5762 0.9959 1.0076 1.0472 1.0511 5.0540 5.0557 5.0931 5.0941 5.1716 5.1769 5.2327 5.2568 10.8816 10.8819 10.9025 10.9135 11.3454 11.3460 11.3857 11.3860 k = 0.4286 0.5000-0.0000 ( 1564 PWs) bands (ev): -2.1051 -2.1050 -1.5193 -1.5193 0.9245 0.9346 0.9738 0.9770 5.0727 5.0741 5.1040 5.1056 5.1863 5.1899 5.2530 5.2706 10.8487 10.8491 10.8660 10.8749 11.2645 11.2651 11.3039 11.3042 k = 0.4388 0.5000-0.0000 ( 1564 PWs) bands (ev): -2.0585 -2.0584 -1.4665 -1.4665 0.8596 0.8680 0.9068 0.9093 5.0892 5.0900 5.1135 5.1169 5.1997 5.2020 5.2711 5.2837 10.8220 10.8234 10.8369 10.8436 11.1913 11.1918 11.2298 11.2300 k = 0.4490 0.5000-0.0000 ( 1568 PWs) bands (ev): -2.0171 -2.0171 -1.4189 -1.4189 0.8021 0.8089 0.8474 0.8494 5.1033 5.1035 5.1224 5.1269 5.2114 5.2127 5.2868 5.2956 10.8017 10.8040 10.8150 10.8195 11.1263 11.1267 11.1639 11.1641 k = 0.4592 0.5000-0.0000 ( 1568 PWs) bands (ev): -1.9817 -1.9817 -1.3777 -1.3776 0.7529 0.7582 0.7969 0.7983 5.1145 5.1149 5.1304 5.1353 5.2212 5.2219 5.2998 5.3057 10.7875 10.7906 10.7999 10.8023 11.0701 11.0704 11.1069 11.1070 k = 0.4694 0.5000-0.0000 ( 1572 PWs) bands (ev): -1.9532 -1.9532 -1.3440 -1.3440 0.7133 0.7171 0.7564 0.7573 5.1231 5.1239 5.1373 5.1419 5.2291 5.2294 5.3100 5.3139 10.7788 10.7822 10.7908 10.7916 11.0238 11.0239 11.0598 11.0598 k = 0.4796 0.5000-0.0000 ( 1572 PWs) bands (ev): -1.9322 -1.9322 -1.3189 -1.3189 0.6842 0.6866 0.7267 0.7272 5.1293 5.1301 5.1429 5.1464 5.2348 5.2349 5.3175 5.3198 10.7747 10.7776 10.7863 10.7864 10.9885 10.9885 11.0240 11.0240 k = 0.4898 0.5000-0.0000 ( 1580 PWs) bands (ev): -1.9194 -1.9194 -1.3035 -1.3035 0.6665 0.6677 0.7087 0.7089 5.1332 5.1337 5.1468 5.1487 5.2382 5.2383 5.3222 5.3232 10.7736 10.7753 10.7847 10.7849 10.9661 10.9661 11.0013 11.0013 k = 0.5000 0.5000-0.0000 ( 1580 PWs) bands (ev): -1.9151 -1.9151 -1.2983 -1.2983 0.6609 0.6609 0.7027 0.7027 5.1346 5.1346 5.1488 5.1488 5.2394 5.2394 5.3241 5.3241 10.7742 10.7742 10.7846 10.7846 10.9583 10.9583 10.9935 10.9935 k = 0.5000 0.5000-0.0000 ( 1580 PWs) bands (ev): -1.9151 -1.9151 -1.2983 -1.2983 0.6609 0.6609 0.7027 0.7027 5.1346 5.1346 5.1488 5.1488 5.2394 5.2394 5.3241 5.3241 10.7742 10.7742 10.7846 10.7846 10.9583 10.9583 10.9935 10.9935 k = 0.4928 0.4928-0.0000 ( 1580 PWs) bands (ev): -1.9195 -1.9195 -1.3035 -1.3035 0.6658 0.6671 0.7095 0.7095 5.1328 5.1337 5.1471 5.1486 5.2382 5.2383 5.3222 5.3232 10.7715 10.7722 10.7869 10.7883 10.9660 10.9661 11.0014 11.0014 k = 0.4855 0.4855-0.0000 ( 1574 PWs) bands (ev): -1.9329 -1.9329 -1.3182 -1.3182 0.6751 0.6781 0.7357 0.7360 5.1256 5.1297 5.1452 5.1460 5.2350 5.2353 5.3184 5.3202 10.7587 10.7590 10.8031 10.8069 10.9877 10.9878 11.0239 11.0239 k = 0.4783 0.4783-0.0000 ( 1574 PWs) bands (ev): -1.9562 -1.9562 -1.3401 -1.3400 0.6826 0.6872 0.7863 0.7867 5.1111 5.1199 5.1414 5.1430 5.2306 5.2315 5.3143 5.3166 10.7403 10.7405 10.8329 10.8387 11.0212 11.0214 11.0587 11.0587 k = 0.4710 0.4710-0.0000 ( 1570 PWs) bands (ev): -1.9902 -1.9902 -1.3657 -1.3656 0.6895 0.6954 0.8576 0.8581 5.0893 5.1026 5.1331 5.1371 5.2266 5.2287 5.3121 5.3144 10.7206 10.7208 10.8749 10.8827 11.0652 11.0653 11.1037 11.1037 k = 0.4638 0.4638-0.0000 ( 1570 PWs) bands (ev): -2.0358 -2.0358 -1.3916 -1.3916 0.6971 0.7044 0.9457 0.9461 5.0603 5.0778 5.1177 5.1232 5.2262 5.2295 5.3138 5.3157 10.7015 10.7016 10.9287 10.9384 11.1173 11.1175 11.1588 11.1588 k = 0.4565 0.4565-0.0000 ( 1565 PWs) bands (ev): -2.0933 -2.0933 -1.4153 -1.4152 0.7059 0.7146 1.0475 1.0478 5.0247 5.0460 5.0929 5.0990 5.2314 5.2351 5.3200 5.3213 10.6838 10.6840 10.9938 11.0053 11.1748 11.1749 11.2258 11.2259 k = 0.4493 0.4493-0.0000 ( 1561 PWs) bands (ev): -2.1621 -2.1621 -1.4349 -1.4348 0.7161 0.7261 1.1605 1.1608 4.9831 5.0079 5.0592 5.0653 5.2420 5.2458 5.3305 5.3314 10.6682 10.6683 11.0696 11.0827 11.2353 11.2354 11.3057 11.3058 k = 0.4420 0.4420-0.0000 ( 1557 PWs) bands (ev): -2.2409 -2.2409 -1.4498 -1.4498 0.7276 0.7391 1.2827 1.2830 4.9360 4.9644 5.0181 5.0241 5.2571 5.2606 5.3450 5.3455 10.6549 10.6550 11.1556 11.1702 11.2986 11.2987 11.3980 11.3982 k = 0.4348 0.4348-0.0000 ( 1557 PWs) bands (ev): -2.3282 -2.3282 -1.4603 -1.4602 0.7406 0.7535 1.4125 1.4128 4.8842 4.9161 4.9710 4.9771 5.2757 5.2790 5.3628 5.3631 10.6441 10.6442 11.2512 11.2672 11.3651 11.3651 11.5017 11.5018 k = 0.4275 0.4275-0.0000 ( 1555 PWs) bands (ev): -2.4223 -2.4223 -1.4669 -1.4668 0.7549 0.7694 1.5487 1.5490 4.8283 4.8637 4.9192 4.9256 5.2975 5.3005 5.3839 5.3840 10.6357 10.6358 11.3557 11.3730 11.4350 11.4350 11.6158 11.6159 k = 0.4203 0.4203-0.0000 ( 1559 PWs) bands (ev): -2.5216 -2.5216 -1.4700 -1.4699 0.7706 0.7866 1.6901 1.6905 4.7690 4.8078 4.8639 4.8707 5.3221 5.3249 5.4078 5.4079 10.6300 10.6300 11.4685 11.4870 11.5083 11.5085 11.7396 11.7397 k = 0.4130 0.4130-0.0000 ( 1551 PWs) bands (ev): -2.6248 -2.6248 -1.4704 -1.4703 0.7876 0.8051 1.8361 1.8364 4.7068 4.7490 4.8060 4.8134 5.3495 5.3520 5.4346 5.4346 10.6268 10.6269 11.5834 11.5853 11.5915 11.6088 11.8723 11.8724 k = 0.4058 0.4058-0.0000 ( 1551 PWs) bands (ev): -2.7307 -2.7307 -1.4685 -1.4684 0.8057 0.8248 1.9858 1.9862 4.6423 4.6878 4.7464 4.7542 5.3794 5.3818 5.4640 5.4640 10.6262 10.6263 11.6657 11.6660 11.7178 11.7376 12.0134 12.0135 k = 0.3986 0.3986-0.0000 ( 1555 PWs) bands (ev): -2.8385 -2.8385 -1.4648 -1.4647 0.8249 0.8457 2.1388 2.1392 4.5760 4.6246 4.6857 4.6940 5.4119 5.4141 5.4960 5.4961 10.6282 10.6283 11.7502 11.7503 11.8524 11.8730 12.1624 12.1625 k = 0.3913 0.3913-0.0000 ( 1555 PWs) bands (ev): -2.9476 -2.9476 -1.4597 -1.4595 0.8451 0.8676 2.2946 2.2950 4.5085 4.5601 4.6246 4.6334 5.4468 5.4490 5.5307 5.5307 10.6328 10.6328 11.8383 11.8384 11.9931 12.0144 12.3187 12.3188 k = 0.3841 0.3841-0.0000 ( 1557 PWs) bands (ev): -3.0572 -3.0572 -1.4534 -1.4532 0.8662 0.8905 2.4527 2.4532 4.4404 4.4946 4.5638 4.5728 5.4843 5.4863 5.5677 5.5678 10.6399 10.6399 11.9302 11.9303 12.1395 12.1612 12.4818 12.4819 k = 0.3768 0.3768-0.0000 ( 1557 PWs) bands (ev): -3.1670 -3.1670 -1.4462 -1.4460 0.8882 0.9141 2.6129 2.6134 4.3720 4.4287 4.5037 4.5128 5.5241 5.5260 5.6073 5.6074 10.6495 10.6495 12.0258 12.0258 12.2910 12.3131 12.6514 12.6515 k = 0.3696 0.3696-0.0000 ( 1557 PWs) bands (ev): -3.2766 -3.2766 -1.4383 -1.4381 0.9107 0.9385 2.7749 2.7755 4.3039 4.3629 4.4447 4.4538 5.5664 5.5682 5.6493 5.6495 10.6615 10.6616 12.1251 12.1252 12.4470 12.4693 12.8270 12.8272 k = 0.3623 0.3623-0.0000 ( 1561 PWs) bands (ev): -3.3857 -3.3857 -1.4300 -1.4297 0.9337 0.9634 2.9383 2.9390 4.2365 4.2977 4.3873 4.3963 5.6110 5.6128 5.6937 5.6939 10.6761 10.6761 12.2283 12.2284 12.6072 12.6296 13.0083 13.0085 k = 0.3551 0.3551-0.0000 ( 1561 PWs) bands (ev): -3.4940 -3.4940 -1.4213 -1.4210 0.9570 0.9886 3.1029 3.1038 4.1703 4.2336 4.3318 4.3406 5.6581 5.6597 5.7406 5.7408 10.6930 10.6931 12.3352 12.3353 12.7708 12.7932 13.1949 13.1951 k = 0.3478 0.3478-0.0000 ( 1557 PWs) bands (ev): -3.6013 -3.6013 -1.4124 -1.4122 0.9805 1.0140 3.2686 3.2697 4.1059 4.1709 4.2785 4.2871 5.7074 5.7090 5.7897 5.7900 10.7123 10.7124 12.4460 12.4460 12.9375 12.9597 13.3865 13.3867 k = 0.3406 0.3406-0.0000 ( 1569 PWs) bands (ev): -3.7076 -3.7076 -1.4036 -1.4033 1.0038 1.0393 3.4349 3.4364 4.0437 4.1103 4.2277 4.2360 5.7591 5.7607 5.8413 5.8416 10.7340 10.7341 12.5604 12.5605 13.1066 13.1285 13.5828 13.5831 k = 0.3333 0.3333-0.0000 ( 1565 PWs) bands (ev): -3.8124 -3.8124 -1.3948 -1.3945 1.0269 1.0643 3.6015 3.6039 3.9845 4.0522 4.1798 4.1878 5.8132 5.8146 5.8951 5.8955 10.7579 10.7580 12.6787 12.6787 13.2774 13.2988 13.7836 13.7839 k = 0.3261 0.3261-0.0000 ( 1565 PWs) bands (ev): -3.9159 -3.9159 -1.3863 -1.3860 1.0494 1.0887 3.7659 3.7719 3.9310 3.9970 4.1349 4.1426 5.8695 5.8709 5.9513 5.9517 10.7841 10.7842 12.8006 12.8007 13.4491 13.4698 13.9885 13.9889 k = 0.3188 0.3188-0.0000 ( 1565 PWs) bands (ev): -4.0178 -4.0178 -1.3782 -1.3779 1.0711 1.1124 3.8582 3.9338 3.9515 3.9533 4.0936 4.1008 5.9281 5.9294 6.0097 6.0102 10.8125 10.8126 12.9263 12.9263 13.6208 13.6407 14.1974 14.1979 k = 0.3116 0.3116-0.0000 ( 1565 PWs) bands (ev): -4.1181 -4.1181 -1.3705 -1.3703 1.0918 1.1349 3.8170 3.8960 4.0540 4.0624 4.1113 4.1134 5.9889 5.9902 6.0704 6.0710 10.8431 10.8432 13.0556 13.0556 13.7914 13.8101 14.4100 14.4105 k = 0.3043 0.3043-0.0000 ( 1573 PWs) bands (ev): -4.2167 -4.2167 -1.3635 -1.3632 1.1110 1.1559 3.7726 3.8520 4.0205 4.0278 4.2793 4.2810 6.0520 6.0533 6.1333 6.1340 10.8758 10.8759 13.1885 13.1885 13.9592 13.9766 14.6260 14.6267 k = 0.2971 0.2971-0.0000 ( 1573 PWs) bands (ev): -4.3135 -4.3135 -1.3571 -1.3568 1.1287 1.1753 3.7319 3.8124 3.9901 3.9972 4.4483 4.4495 6.1173 6.1185 6.1984 6.1992 10.9105 10.9106 13.3248 13.3249 14.1224 14.1381 14.8452 14.8461 k = 0.2899 0.2899-0.0000 ( 1569 PWs) bands (ev): -4.4084 -4.4084 -1.3515 -1.3512 1.1446 1.1926 3.6960 3.7776 3.9637 3.9706 4.6172 4.6182 6.1848 6.1859 6.2658 6.2666 10.9473 10.9474 13.4646 13.4646 14.2781 14.2917 15.0675 15.0685 k = 0.2826 0.2826-0.0000 ( 1571 PWs) bands (ev): -4.5014 -4.5014 -1.3467 -1.3464 1.1582 1.2076 3.6653 3.7481 3.9415 3.9482 4.7860 4.7868 6.2545 6.2555 6.3352 6.3362 10.9860 10.9861 13.6076 13.6076 14.4226 14.4339 15.2927 15.2938 k = 0.2754 0.2754-0.0000 ( 1573 PWs) bands (ev): -4.5924 -4.5924 -1.3429 -1.3426 1.1695 1.2200 3.6403 3.7240 3.9235 3.9302 4.9545 4.9552 6.3263 6.3273 6.4068 6.4078 11.0266 11.0267 13.7537 13.7538 14.5508 14.5594 15.5203 15.5218 k = 0.2681 0.2681-0.0000 ( 1573 PWs) bands (ev): -4.6814 -4.6814 -1.3400 -1.3397 1.1782 1.2296 3.6213 3.7057 3.9100 3.9165 5.1226 5.1231 6.4002 6.4011 6.4805 6.4816 11.0691 11.0692 13.9028 13.9029 14.6560 14.6617 15.7503 15.7521 k = 0.2609 0.2609-0.0000 ( 1573 PWs) bands (ev): -4.7684 -4.7684 -1.3381 -1.3378 1.1841 1.2361 3.6085 3.6934 3.9009 3.9074 5.2901 5.2906 6.4762 6.4770 6.5563 6.5574 11.1134 11.1134 14.0546 14.0547 14.7302 14.7333 15.9823 15.9845 k = 0.2536 0.2536-0.0000 ( 1573 PWs) bands (ev): -4.8532 -4.8532 -1.3373 -1.3370 1.1871 1.2394 3.6020 3.6871 3.8964 3.9028 5.4569 5.4574 6.5542 6.5550 6.6340 6.6353 11.1593 11.1594 14.2089 14.2089 14.7658 14.7672 16.2150 16.2180 k = 0.2464 0.2464-0.0000 ( 1573 PWs) bands (ev): -4.9360 -4.9360 -1.3375 -1.3372 1.1872 1.2395 3.6021 3.6871 3.8964 3.9028 5.6231 5.6235 6.6342 6.6349 6.7138 6.7151 11.2070 11.2071 14.3652 14.3652 14.7585 14.7593 16.1980 16.2008 k = 0.2391 0.2391-0.0000 ( 1569 PWs) bands (ev): -5.0166 -5.0166 -1.3388 -1.3384 1.1844 1.2363 3.6087 3.6933 3.9009 3.9073 5.7882 5.7886 6.7162 6.7168 6.7954 6.7969 11.2562 11.2563 14.5232 14.5232 14.7093 14.7105 15.9669 15.9690 k = 0.2319 0.2319-0.0000 ( 1565 PWs) bands (ev): -5.0950 -5.0950 -1.3411 -1.3408 1.1787 1.2300 3.6216 3.7055 3.9099 3.9164 5.9524 5.9527 6.8001 6.8007 6.8790 6.8805 11.3069 11.3070 14.6241 14.6266 14.6822 14.6822 15.7371 15.7389 k = 0.2246 0.2246-0.0000 ( 1565 PWs) bands (ev): -5.1711 -5.1711 -1.3445 -1.3442 1.1702 1.2206 3.6408 3.7238 3.9234 3.9300 6.1154 6.1157 6.8859 6.8864 6.9644 6.9660 11.3590 11.3591 14.5109 14.5151 14.8410 14.8410 15.5105 15.5120 k = 0.2174 0.2174-0.0000 ( 1559 PWs) bands (ev): -5.2451 -5.2451 -1.3488 -1.3485 1.1592 1.2084 3.6660 3.7478 3.9414 3.9480 6.2771 6.2774 6.9735 6.9739 7.0516 7.0532 11.4124 11.4125 14.3775 14.3833 14.9945 14.9946 15.2918 15.2931 k = 0.2101 0.2101-0.0000 ( 1553 PWs) bands (ev): -5.3167 -5.3167 -1.3542 -1.3539 1.1457 1.1935 3.6969 3.7774 3.9636 3.9703 6.4373 6.4376 7.0629 7.0633 7.1405 7.1422 11.4671 11.4672 14.2298 14.2372 15.0275 15.0286 15.1956 15.1958 k = 0.2029 0.2029-0.0000 ( 1557 PWs) bands (ev): -5.3861 -5.3861 -1.3604 -1.3601 1.1301 1.1763 3.7333 3.8121 3.9900 3.9969 6.5960 6.5962 7.1541 7.1544 7.2310 7.2328 11.5229 11.5230 14.0727 14.0814 14.8258 14.8269 15.3354 15.3354 k = 0.1957 0.1957-0.0000 ( 1557 PWs) bands (ev): -5.4532 -5.4532 -1.3675 -1.3672 1.1126 1.1571 3.7746 3.8518 4.0205 4.0275 6.7529 6.7531 7.2469 7.2472 7.3231 7.3249 11.5798 11.5799 13.9092 13.9192 14.6110 14.6120 15.4888 15.4889 k = 0.1884 0.1884-0.0000 ( 1553 PWs) bands (ev): -5.5180 -5.5180 -1.3753 -1.3750 1.0935 1.1362 3.8206 3.8959 4.0548 4.0621 6.9078 6.9080 7.3414 7.3416 7.4167 7.4185 11.6376 11.6377 13.7419 13.7529 14.3974 14.3984 15.6384 15.6398 k = 0.1812 0.1812-0.0000 ( 1553 PWs) bands (ev): -5.5804 -5.5804 -1.3839 -1.3836 1.0730 1.1138 3.8708 3.9442 4.0929 4.1004 7.0606 7.0607 7.4376 7.4376 7.5116 7.5135 11.6961 11.6963 13.5724 13.5843 14.1867 14.1876 15.6124 15.6846 k = 0.1739 0.1739-0.0000 ( 1553 PWs) bands (ev): -5.6405 -5.6405 -1.3930 -1.3927 1.0514 1.0903 3.9247 3.9962 4.1346 4.1422 7.2109 7.2110 7.5353 7.5353 7.6079 7.6098 11.7554 11.7555 13.4022 13.4148 13.9795 13.9802 15.4589 15.5324 k = 0.1667 0.1667-0.0000 ( 1553 PWs) bands (ev): -5.6983 -5.6983 -1.4027 -1.4024 1.0291 1.0660 3.9821 4.0516 4.1795 4.1874 7.3584 7.3585 7.6345 7.6346 7.7053 7.7073 11.8151 11.8153 13.2322 13.2454 13.7760 13.7767 15.3041 15.3786 k = 0.1594 0.1594-0.0000 ( 1557 PWs) bands (ev): -5.7536 -5.7536 -1.4128 -1.4125 1.0062 1.0412 4.0424 4.1098 4.2275 4.2356 7.5029 7.5029 7.7354 7.7356 7.8037 7.8057 11.8752 11.8753 13.0633 13.0769 13.5766 13.5773 15.1496 15.2245 k = 0.1522 0.1522-0.0000 ( 1557 PWs) bands (ev): -5.8066 -5.8066 -1.4232 -1.4230 0.9830 1.0160 4.1051 4.1705 4.2784 4.2867 7.6436 7.6436 7.8381 7.8384 7.9030 7.9050 11.9354 11.9356 12.8963 12.9102 13.3817 13.3823 14.9958 15.0706 k = 0.1449 0.1449-0.0000 ( 1561 PWs) bands (ev): -5.8572 -5.8572 -1.4339 -1.4336 0.9596 0.9907 4.1700 4.2332 4.3318 4.3402 7.7800 7.7801 7.9428 7.9432 8.0030 8.0051 11.9955 11.9957 12.7317 12.7458 13.1917 13.1922 14.8432 14.9174 k = 0.1377 0.1377-0.0000 ( 1565 PWs) bands (ev): -5.9053 -5.9053 -1.4447 -1.4445 0.9364 0.9656 4.2365 4.2975 4.3875 4.3960 7.9114 7.9116 8.0498 8.0503 8.1036 8.1056 12.0552 12.0554 12.5701 12.5844 13.0069 13.0074 14.6923 14.7653 k = 0.1304 0.1304-0.0000 ( 1561 PWs) bands (ev): -5.9511 -5.9511 -1.4556 -1.4554 0.9136 0.9409 4.3041 4.3628 4.4451 4.4536 8.0370 8.0372 8.1595 8.1600 8.2044 8.2064 12.1139 12.1142 12.4120 12.4263 12.8282 12.8286 14.5432 14.6145 k = 0.1232 0.1232-0.0000 ( 1561 PWs) bands (ev): -5.9944 -5.9944 -1.4664 -1.4662 0.8912 0.9167 4.3725 4.4288 4.5043 4.5128 8.1564 8.1567 8.2715 8.2721 8.3054 8.3073 12.1701 12.1707 12.2583 12.2722 12.6568 12.6571 14.3964 14.4655 k = 0.1159 0.1159-0.0000 ( 1561 PWs) bands (ev): -6.0352 -6.0352 -1.4772 -1.4770 0.8694 0.8931 4.4412 4.4949 4.5648 4.5730 8.2701 8.2704 8.3849 8.3855 8.4061 8.4079 12.1080 12.1225 12.2207 12.2208 12.4971 12.4974 14.2523 14.3189 k = 0.1087 0.1087-0.0000 ( 1555 PWs) bands (ev): -6.0737 -6.0737 -1.4877 -1.4875 0.8484 0.8704 4.5098 4.5606 4.6261 4.6339 8.3789 8.3791 8.4980 8.4986 8.5064 8.5082 11.9637 11.9777 12.2337 12.2341 12.3797 12.3798 14.1112 14.1751 k = 0.1014 0.1014-0.0000 ( 1547 PWs) bands (ev): -6.1096 -6.1096 -1.4979 -1.4977 0.8283 0.8486 4.5776 4.6254 4.6878 4.6949 8.4837 8.4839 8.6046 8.6057 8.6110 8.6110 11.8248 11.8384 12.1340 12.1345 12.3807 12.3807 13.9736 14.0346 k = 0.0942 0.0942-0.0000 ( 1547 PWs) bands (ev): -6.1432 -6.1432 -1.5078 -1.5076 0.8091 0.8278 4.6443 4.6889 4.7493 4.7557 8.5850 8.5852 8.7026 8.7041 8.7186 8.7189 11.6919 11.7050 11.9962 11.9966 12.4256 12.4256 13.8401 13.8979 k = 0.0870 0.0870-0.0000 ( 1547 PWs) bands (ev): -6.1742 -6.1742 -1.5172 -1.5171 0.7911 0.8082 4.7094 4.7505 4.8101 4.8156 8.6831 8.6832 8.7985 8.7999 8.8226 8.8229 11.5656 11.5782 11.8591 11.8595 12.4756 12.4757 13.7112 13.7658 k = 0.0797 0.0797-0.0000 ( 1555 PWs) bands (ev): -6.2029 -6.2029 -1.5262 -1.5260 0.7743 0.7898 4.7722 4.8099 4.8696 4.8741 8.7775 8.7776 8.8919 8.8931 8.9216 8.9219 11.4464 11.4583 11.7282 11.7286 12.5255 12.5255 13.5875 13.6388 k = 0.0725 0.0725-0.0000 ( 1557 PWs) bands (ev): -6.2290 -6.2290 -1.5345 -1.5344 0.7588 0.7728 4.8324 4.8664 4.9270 4.9306 8.8681 8.8681 8.9820 8.9831 9.0148 9.0151 11.3350 11.3461 11.6053 11.6057 12.5735 12.5735 13.4699 13.5176 k = 0.0652 0.0652-0.0000 ( 1561 PWs) bands (ev): -6.2526 -6.2526 -1.5423 -1.5422 0.7446 0.7571 4.8893 4.9197 4.9818 4.9844 8.9540 8.9541 9.0682 9.0692 9.1017 9.1020 11.2318 11.2421 11.4913 11.4916 12.6189 12.6190 13.3592 13.4031 k = 0.0580 0.0580-0.0000 ( 1553 PWs) bands (ev): -6.2738 -6.2738 -1.5493 -1.5492 0.7318 0.7429 4.9424 4.9692 5.0331 5.0349 9.0346 9.0347 9.1496 9.1504 9.1816 9.1819 11.1376 11.1469 11.3869 11.3873 12.6609 12.6610 13.2565 13.2964 k = 0.0507 0.0507-0.0000 ( 1549 PWs) bands (ev): -6.2925 -6.2925 -1.5557 -1.5556 0.7205 0.7301 4.9911 5.0144 5.0803 5.0815 9.1089 9.1091 9.2252 9.2260 9.2541 9.2543 11.0528 11.0610 11.2930 11.2932 12.6988 12.6991 13.1630 13.1986 k = 0.0435 0.0435-0.0000 ( 1549 PWs) bands (ev): -6.3087 -6.3087 -1.5613 -1.5612 0.7107 0.7189 5.0348 5.0547 5.1227 5.1234 9.1760 9.1763 9.2940 9.2946 9.3186 9.3188 10.9780 10.9852 11.2099 11.2102 12.7315 12.7321 13.0803 13.1110 k = 0.0362 0.0362-0.0000 ( 1553 PWs) bands (ev): -6.3224 -6.3224 -1.5661 -1.5660 0.7024 0.7092 5.0732 5.0896 5.1598 5.1602 9.2349 9.2352 9.3548 9.3554 9.3746 9.3748 10.9139 10.9199 11.1385 11.1387 12.7577 12.7590 13.0104 13.0355 k = 0.0290 0.0290-0.0000 ( 1545 PWs) bands (ev): -6.3336 -6.3336 -1.5700 -1.5700 0.6958 0.7012 5.1056 5.1187 5.1910 5.1911 9.2847 9.2850 9.4066 9.4070 9.4216 9.4217 10.8608 10.8656 11.0792 11.0794 12.7753 12.7779 12.9561 12.9746 k = 0.0217 0.0217-0.0000 ( 1541 PWs) bands (ev): -6.3423 -6.3423 -1.5731 -1.5731 0.6907 0.6947 5.1317 5.1415 5.2158 5.2158 9.3244 9.3247 9.4481 9.4485 9.4590 9.4591 10.8191 10.8228 11.0325 11.0327 12.7820 12.7863 12.9204 12.9314 k = 0.0145 0.0145-0.0000 ( 1537 PWs) bands (ev): -6.3485 -6.3485 -1.5753 -1.5753 0.6872 0.6899 5.1510 5.1576 5.2337 5.2338 9.3533 9.3535 9.4784 9.4786 9.4865 9.4865 10.7893 10.7918 10.9989 10.9990 12.7785 12.7837 12.9026 12.9069 k = 0.0072 0.0072-0.0000 ( 1539 PWs) bands (ev): -6.3523 -6.3523 -1.5767 -1.5767 0.6854 0.6868 5.1634 5.1667 5.2446 5.2447 9.3709 9.3710 9.4967 9.4968 9.5033 9.5033 10.7716 10.7728 10.9786 10.9786 12.7724 12.7758 12.8958 12.8965 k = 0.0000 0.0000 0.0000 ( 1539 PWs) bands (ev): -6.3535 -6.3535 -1.5771 -1.5771 0.6853 0.6853 5.1686 5.1686 5.2483 5.2483 9.3768 9.3768 9.5029 9.5029 9.5090 9.5090 10.7661 10.7661 10.9718 10.9718 12.7708 12.7708 12.8939 12.8939 k = 0.0000 0.0000 0.0000 ( 1539 PWs) bands (ev): -6.3535 -6.3535 -1.5771 -1.5771 0.6853 0.6853 5.1686 5.1686 5.2483 5.2483 9.3768 9.3768 9.5029 9.5029 9.5090 9.5090 10.7661 10.7661 10.9718 10.9718 12.7708 12.7708 12.8939 12.8939 k = 0.0000 0.0000 0.0101 ( 1539 PWs) bands (ev): -6.3523 -6.3523 -1.5868 -1.5868 0.6964 0.6964 5.1698 5.1698 5.2495 5.2495 9.3711 9.3711 9.4975 9.4975 9.5029 9.5029 10.7609 10.7609 10.9800 10.9800 12.7762 12.7762 12.9014 12.9014 k = 0.0000 0.0000 0.0202 ( 1535 PWs) bands (ev): -6.3488 -6.3488 -1.6152 -1.6152 0.7293 0.7293 5.1734 5.1734 5.2531 5.2531 9.3542 9.3542 9.4815 9.4815 9.4846 9.4846 10.7475 10.7475 11.0024 11.0024 12.7907 12.7907 12.9237 12.9237 k = 0.0000 0.0000 0.0303 ( 1539 PWs) bands (ev): -6.3429 -6.3429 -1.6609 -1.6609 0.7823 0.7823 5.1794 5.1794 5.2590 5.2590 9.3262 9.3262 9.4547 9.4547 9.4553 9.4553 10.7297 10.7297 11.0351 11.0351 12.8081 12.8081 12.9386 12.9386 k = 0.0000 0.0000 0.0404 ( 1547 PWs) bands (ev): -6.3346 -6.3346 -1.7216 -1.7216 0.8533 0.8533 5.1877 5.1877 5.2674 5.2674 9.2878 9.2878 9.4139 9.4139 9.4192 9.4192 10.7105 10.7105 11.0753 11.0753 12.8163 12.8163 12.9608 12.9608 k = 0.0000 0.0000 0.0505 ( 1555 PWs) bands (ev): -6.3239 -6.3239 -1.7949 -1.7949 0.9398 0.9398 5.1984 5.1984 5.2781 5.2781 9.2394 9.2394 9.3632 9.3632 9.3738 9.3738 10.6916 10.6916 11.1210 11.1210 12.8079 12.8079 13.0071 13.0071 k = 0.0000 0.0000 0.0606 ( 1554 PWs) bands (ev): -6.3109 -6.3109 -1.8783 -1.8783 1.0394 1.0394 5.2115 5.2115 5.2911 5.2911 9.1821 9.1821 9.3036 9.3036 9.3197 9.3197 10.6741 10.6741 11.1714 11.1714 12.7867 12.7867 13.0730 13.0730 k = 0.0000 0.0000 0.0707 ( 1550 PWs) bands (ev): -6.2955 -6.2955 -1.9698 -1.9698 1.1499 1.1499 5.2270 5.2270 5.3066 5.3066 9.1166 9.1166 9.2363 9.2363 9.2572 9.2572 10.6584 10.6584 11.2258 11.2258 12.7574 12.7574 13.1534 13.1534 k = 0.0000 0.0000 0.0808 ( 1558 PWs) bands (ev): -6.2777 -6.2777 -2.0675 -2.0675 1.2695 1.2695 5.2448 5.2448 5.3243 5.3243 9.0440 9.0440 9.1622 9.1622 9.1871 9.1871 10.6449 10.6449 11.2839 11.2839 12.7224 12.7224 13.2451 13.2451 k = 0.0000 0.0000 0.0909 ( 1566 PWs) bands (ev): -6.2577 -6.2577 -2.1699 -2.1699 1.3967 1.3967 5.2650 5.2650 5.3445 5.3445 8.9653 8.9653 9.0825 9.0825 9.1096 9.1096 10.6336 10.6336 11.3456 11.3456 12.6834 12.6834 13.3461 13.3461 k = 0.0000 0.0000 0.1010 ( 1566 PWs) bands (ev): -6.2352 -6.2352 -2.2758 -2.2758 1.5302 1.5302 5.2876 5.2876 5.3670 5.3670 8.8812 8.8812 8.9981 8.9981 9.0253 9.0253 10.6248 10.6248 11.4104 11.4104 12.6411 12.6411 13.4550 13.4550 k = 0.0000 0.0000 0.1111 ( 1566 PWs) bands (ev): -6.2105 -6.2105 -2.3842 -2.3842 1.6690 1.6690 5.3125 5.3125 5.3919 5.3919 8.7925 8.7925 8.9097 8.9097 8.9348 8.9348 10.6184 10.6184 11.4782 11.4782 12.5965 12.5965 13.5708 13.5708 k = 0.0000 0.0000 0.1212 ( 1566 PWs) bands (ev): -6.1834 -6.1834 -2.4942 -2.4942 1.8122 1.8122 5.3397 5.3397 5.4191 5.4191 8.7000 8.7000 8.8183 8.8183 8.8386 8.8386 10.6144 10.6144 11.5488 11.5488 12.5502 12.5502 13.6926 13.6926 k = 0.0000 0.0000 0.1313 ( 1566 PWs) bands (ev): -6.1540 -6.1540 -2.6052 -2.6052 1.9593 1.9593 5.3693 5.3693 5.4486 5.4486 8.6039 8.6039 8.7243 8.7243 8.7373 8.7373 10.6130 10.6130 11.6214 11.6214 12.5034 12.5034 13.8197 13.8197 k = 0.0000 0.0000 0.1414 ( 1570 PWs) bands (ev): -6.1224 -6.1224 -2.7167 -2.7167 2.1096 2.1096 5.4012 5.4012 5.4804 5.4804 8.5047 8.5047 8.6284 8.6284 8.6317 8.6317 10.6140 10.6140 11.6955 11.6955 12.4570 12.4570 13.9513 13.9513 k = 0.0000 0.0000 0.1515 ( 1566 PWs) bands (ev): -6.0885 -6.0885 -2.8282 -2.8282 2.2626 2.2626 5.4355 5.4355 5.5146 5.5146 8.4021 8.4021 8.5228 8.5228 8.5310 8.5310 10.6174 10.6174 11.7694 11.7694 12.4131 12.4131 14.0870 14.0870 k = 0.0000 0.0000 0.1616 ( 1574 PWs) bands (ev): -6.0523 -6.0523 -2.9395 -2.9395 2.4181 2.4181 5.4721 5.4721 5.5511 5.5511 8.2958 8.2958 8.4118 8.4118 8.4327 8.4327 10.6232 10.6232 11.8403 11.8403 12.3747 12.3747 14.2262 14.2262 k = 0.0000 0.0000 0.1717 ( 1574 PWs) bands (ev): -6.0140 -6.0140 -3.0501 -3.0501 2.5756 2.5756 5.5109 5.5109 5.5898 5.5898 8.1850 8.1850 8.3002 8.3002 8.3338 8.3338 10.6314 10.6314 11.9026 11.9026 12.3476 12.3476 14.3686 14.3686 k = 0.0000 0.0000 0.1818 ( 1574 PWs) bands (ev): -5.9734 -5.9734 -3.1598 -3.1598 2.7348 2.7348 5.5521 5.5521 5.6309 5.6309 8.0689 8.0689 8.1896 8.1896 8.2346 8.2346 10.6419 10.6419 11.9469 11.9469 12.3417 12.3417 14.5137 14.5137 k = 0.0000 0.0000 0.1919 ( 1574 PWs) bands (ev): -5.9308 -5.9308 -3.2684 -3.2684 2.8956 2.8956 5.5955 5.5955 5.6742 5.6742 7.9469 7.9469 8.0811 8.0811 8.1354 8.1354 10.6546 10.6546 11.9633 11.9633 12.3671 12.3671 14.6613 14.6613 k = 0.0000 0.0000 0.2020 ( 1570 PWs) bands (ev): -5.8860 -5.8860 -3.3756 -3.3756 3.0577 3.0577 5.6412 5.6412 5.7197 5.7197 7.8192 7.8192 7.9750 7.9750 8.0365 8.0365 10.6696 10.6696 11.9514 11.9514 12.4241 12.4241 14.8109 14.8109 k = 0.0000 0.0000 0.2122 ( 1570 PWs) bands (ev): -5.8392 -5.8392 -3.4814 -3.4814 3.2209 3.2209 5.6891 5.6891 5.7675 5.7675 7.6864 7.6864 7.8712 7.8712 7.9381 7.9381 10.6867 10.6867 11.9205 11.9205 12.5041 12.5041 14.9625 14.9625 k = 0.0000 0.0000 0.2223 ( 1570 PWs) bands (ev): -5.7905 -5.7905 -3.5853 -3.5853 3.3849 3.3849 5.7393 5.7393 5.8174 5.8174 7.5493 7.5493 7.7695 7.7695 7.8403 7.8403 10.7059 10.7059 11.8789 11.8789 12.5986 12.5986 15.1156 15.1156 k = 0.0000 0.0000 0.2324 ( 1582 PWs) bands (ev): -5.7399 -5.7399 -3.6874 -3.6874 3.5498 3.5498 5.7917 5.7917 5.8696 5.8696 7.4085 7.4085 7.6697 7.6697 7.7434 7.7434 10.7271 10.7271 11.8318 11.8318 12.7028 12.7028 15.2700 15.2700 k = 0.0000 0.0000 0.2425 ( 1582 PWs) bands (ev): -5.6876 -5.6876 -3.7873 -3.7873 3.7152 3.7152 5.8462 5.8462 5.9239 5.9239 7.2645 7.2645 7.5715 7.5715 7.6475 7.6475 10.7502 10.7502 11.7819 11.7819 12.8142 12.8142 15.4253 15.4253 k = 0.0000 0.0000 0.2526 ( 1582 PWs) bands (ev): -5.6338 -5.6338 -3.8848 -3.8848 3.8810 3.8810 5.9029 5.9029 5.9802 5.9802 7.1177 7.1177 7.4749 7.4749 7.5529 7.5529 10.7750 10.7750 11.7307 11.7307 12.9312 12.9312 15.5809 15.5809 k = 0.0000 0.0000 0.2627 ( 1582 PWs) bands (ev): -5.5786 -5.5786 -3.9796 -3.9796 4.0471 4.0471 5.9616 5.9616 6.0386 6.0386 6.9686 6.9686 7.3799 7.3799 7.4595 7.4595 10.8015 10.8015 11.6793 11.6793 13.0532 13.0532 15.7113 15.7113 k = 0.0000 0.0000 0.2728 ( 1586 PWs) bands (ev): -5.5224 -5.5224 -4.0714 -4.0714 4.2134 4.2134 6.0223 6.0223 6.0990 6.0990 6.8175 6.8175 7.2866 7.2866 7.3676 7.3676 10.8293 10.8293 11.6284 11.6284 13.1797 13.1797 15.5821 15.5821 k = 0.0000 0.0000 0.2829 ( 1586 PWs) bands (ev): -5.4657 -5.4657 -4.1596 -4.1596 4.3797 4.3797 6.0848 6.0848 6.1613 6.1613 6.6646 6.6646 7.1950 7.1950 7.2774 7.2774 10.8583 10.8583 11.5786 11.5786 13.3101 13.3101 15.4304 15.4304 k = 0.0000 0.0000 0.2930 ( 1586 PWs) bands (ev): -5.4091 -5.4091 -4.2436 -4.2436 4.5458 4.5458 6.1486 6.1486 6.2252 6.2252 6.5108 6.5108 7.1052 7.1052 7.1891 7.1891 10.8880 10.8880 11.5304 11.5304 13.4443 13.4443 15.2753 15.2753 k = 0.0000 0.0000 0.3031 ( 1586 PWs) bands (ev): -5.3537 -5.3537 -4.3223 -4.3223 4.7116 4.7116 6.2102 6.2102 6.2906 6.2906 6.3597 6.3597 7.0173 7.0173 7.1029 7.1029 10.9178 10.9178 11.4848 11.4848 13.5819 13.5819 15.1184 15.1184 k = 0.0000 0.0000 0.3132 ( 1594 PWs) bands (ev): -5.3008 -5.3008 -4.3942 -4.3942 4.8768 4.8768 6.1814 6.1814 6.2993 6.2993 6.3571 6.3571 6.9317 6.9317 7.0194 7.0194 10.9469 10.9469 11.4426 11.4426 13.7225 13.7225 14.9610 14.9610 k = 0.0000 0.0000 0.3233 ( 1594 PWs) bands (ev): -5.2530 -5.2530 -4.4569 -4.4569 5.0410 5.0410 6.0308 6.0308 6.3615 6.3615 6.4234 6.4234 6.8488 6.8488 6.9394 6.9394 10.9739 10.9739 11.4054 11.4054 13.8655 13.8655 14.8043 14.8043 k = 0.0000 0.0000 0.3334 ( 1594 PWs) bands (ev): -5.2134 -5.2134 -4.5070 -4.5070 5.2033 5.2033 5.8741 5.8741 6.4304 6.4304 6.4869 6.4869 6.7699 6.7699 6.8653 6.8653 10.9967 10.9967 11.3753 11.3753 14.0096 14.0096 14.6502 14.6502 k = 0.0000 0.0000 0.3435 ( 1602 PWs) bands (ev): -5.1868 -5.1868 -4.5401 -4.5401 5.3595 5.3595 5.7209 5.7209 6.4975 6.4975 6.5386 6.5386 6.7006 6.7006 6.8039 6.8039 11.0124 11.0124 11.3551 11.3551 14.1493 14.1493 14.5043 14.5043 k = 0.0000 0.0000 0.3536 ( 1634 PWs) bands (ev): -5.1773 -5.1773 -4.5518 -4.5518 5.4633 5.4633 5.6180 5.6180 6.5455 6.5455 6.5488 6.5488 6.6662 6.6662 6.7761 6.7761 11.0180 11.0180 11.3480 11.3480 14.2378 14.2378 14.4137 14.4137 k = 0.0000 0.0000 0.3536 ( 1634 PWs) bands (ev): -5.1773 -5.1773 -4.5518 -4.5518 5.4633 5.4633 5.6180 5.6180 6.5455 6.5455 6.5488 6.5488 6.6662 6.6662 6.7761 6.7761 11.0180 11.0180 11.3480 11.3480 14.2378 14.2378 14.4137 14.4137 k = 0.0000 0.0102 0.3536 ( 1594 PWs) bands (ev): -5.1761 -5.1760 -4.5506 -4.5505 5.4553 5.4570 5.6027 5.6154 6.5410 6.5463 6.5475 6.5581 6.6651 6.6683 6.7758 6.7764 11.0246 11.0254 11.3535 11.3572 14.2416 14.2427 14.4178 14.4180 k = 0.0000 0.0204 0.3536 ( 1586 PWs) bands (ev): -5.1726 -5.1726 -4.5472 -4.5471 5.4330 5.4364 5.5702 5.5946 6.5371 6.5484 6.5504 6.5693 6.6647 6.6717 6.7759 6.7766 11.0450 11.0465 11.3735 11.3809 14.2540 14.2561 14.4306 14.4310 k = 0.0000 0.0306 0.3536 ( 1586 PWs) bands (ev): -5.1668 -5.1668 -4.5416 -4.5414 5.3966 5.4014 5.5218 5.5559 6.5364 6.5520 6.5551 6.5815 6.6648 6.6766 6.7768 6.7769 11.0785 11.0808 11.4076 11.4183 14.2750 14.2780 14.4520 14.4527 k = 0.0000 0.0408 0.3536 ( 1586 PWs) bands (ev): -5.1588 -5.1588 -4.5336 -4.5333 5.3464 5.3524 5.4589 5.5002 6.5389 6.5573 6.5616 6.5939 6.6655 6.6834 6.7773 6.7793 11.1242 11.1270 11.4548 11.4685 14.3046 14.3084 14.4823 14.4835 k = 0.0000 0.0510 0.3536 ( 1586 PWs) bands (ev): -5.1485 -5.1484 -4.5234 -4.5231 5.2829 5.2898 5.3827 5.4289 6.5442 6.5640 6.5699 6.6060 6.6668 6.6920 6.7788 6.7837 11.1807 11.1841 11.5139 11.5302 14.3428 14.3473 14.5220 14.5237 k = 0.0000 0.0612 0.3536 ( 1586 PWs) bands (ev): -5.1358 -5.1358 -4.5109 -4.5105 5.2064 5.2142 5.2949 5.3436 6.5520 6.5724 6.5802 6.6178 6.6691 6.7026 6.7816 6.7901 11.2466 11.2504 11.5835 11.6019 14.3894 14.3946 14.5712 14.5737 k = 0.0000 0.0714 0.3536 ( 1586 PWs) bands (ev): -5.1209 -5.1209 -4.4962 -4.4957 5.1178 5.1264 5.1967 5.2458 6.5618 6.5822 6.5923 6.6294 6.6727 6.7147 6.7864 6.7987 11.3202 11.3242 11.6621 11.6820 14.4447 14.4503 14.6305 14.6339 k = 0.0000 0.0816 0.3536 ( 1588 PWs) bands (ev): -5.1038 -5.1038 -4.4793 -4.4787 5.0178 5.0276 5.0896 5.1373 6.5733 6.5934 6.6062 6.6410 6.6778 6.7282 6.7935 6.8094 11.3997 11.4039 11.7480 11.7691 14.5085 14.5144 14.6998 14.7044 k = 0.0000 0.0918 0.3536 ( 1580 PWs) bands (ev): -5.0844 -5.0843 -4.4601 -4.4594 4.9074 4.9186 4.9747 5.0195 6.5864 6.6062 6.6218 6.6530 6.6848 6.7428 6.8032 6.8222 11.4835 11.4878 11.8396 11.8614 14.5810 14.5870 14.7793 14.7850 k = 0.0000 0.1020 0.3536 ( 1584 PWs) bands (ev): -5.0628 -5.0627 -4.4386 -4.4379 4.7878 4.8007 4.8531 4.8940 6.6009 6.6203 6.6389 6.6656 6.6939 6.7582 6.8156 6.8368 11.5700 11.5743 11.9355 11.9575 14.6623 14.6684 14.8684 14.8751 k = 0.0000 0.1122 0.3536 ( 1578 PWs) bands (ev): -5.0389 -5.0389 -4.4150 -4.4143 4.6601 4.6748 4.7256 4.7619 6.6166 6.6358 6.6575 6.6792 6.7050 6.7744 6.8307 6.8533 11.6578 11.6620 12.0341 12.0560 14.7526 14.7589 14.9660 14.9733 k = 0.0000 0.1224 0.3536 ( 1578 PWs) bands (ev): -5.0129 -5.0128 -4.3892 -4.3884 4.5257 4.5421 4.5928 4.6245 6.6337 6.6527 6.6772 6.6938 6.7183 6.7916 6.8483 6.8715 11.7455 11.7497 12.1341 12.1556 14.8521 14.8586 15.0699 15.0773 k = 0.0000 0.1327 0.3536 ( 1582 PWs) bands (ev): -4.9847 -4.9846 -4.3613 -4.3604 4.3857 4.4035 4.4556 4.4827 6.6520 6.6709 6.6981 6.7096 6.7339 6.8098 6.8681 6.8914 11.8323 11.8363 12.2342 12.2551 14.9609 14.9676 15.1762 15.1826 k = 0.0000 0.1429 0.3536 ( 1582 PWs) bands (ev): -4.9543 -4.9543 -4.3312 -4.3302 4.2412 4.2600 4.3145 4.3375 6.6715 6.6903 6.7197 6.7266 6.7517 6.8291 6.8898 6.9128 11.9173 11.9210 12.3334 12.3535 15.0786 15.0859 15.2782 15.2819 k = 0.0000 0.1531 0.3536 ( 1582 PWs) bands (ev): -4.9219 -4.9219 -4.2990 -4.2979 4.0929 4.1123 4.1701 4.1896 6.6923 6.7110 6.7419 6.7449 6.7719 6.8497 6.9133 6.9356 11.9999 12.0033 12.4308 12.4499 15.2044 15.2126 15.3630 15.3645 k = 0.0000 0.1633 0.3536 ( 1582 PWs) bands (ev): -4.8874 -4.8874 -4.2647 -4.2636 3.9418 3.9612 4.0232 4.0397 6.7142 6.7328 6.7645 6.7646 6.7945 6.8716 6.9383 6.9598 12.0798 12.0829 12.5257 12.5438 15.3341 15.3443 15.4121 15.4214 k = 0.0000 0.1735 0.3536 ( 1580 PWs) bands (ev): -4.8508 -4.8508 -4.2284 -4.2271 3.7886 3.8076 3.8742 3.8882 6.7372 6.7557 6.7854 6.7878 6.8191 6.8947 6.9648 6.9854 12.1567 12.1595 12.6174 12.6345 15.4045 15.4121 15.4879 15.4915 k = 0.0000 0.1837 0.3536 ( 1580 PWs) bands (ev): -4.8123 -4.8123 -4.1900 -4.1887 3.6337 3.6521 3.7237 3.7357 6.7612 6.7797 6.8074 6.8116 6.8457 6.9192 6.9925 7.0122 12.2306 12.2330 12.7056 12.7217 15.3686 15.3851 15.6033 15.6154 k = 0.0000 0.1939 0.3536 ( 1580 PWs) bands (ev): -4.7718 -4.7718 -4.1497 -4.1484 3.4779 3.4954 3.5722 3.5826 6.7863 6.8046 6.8306 6.8361 6.8738 6.9449 7.0213 7.0402 12.3013 12.3033 12.7900 12.8052 15.3038 15.3239 15.6514 15.6728 k = 0.0000 0.2041 0.3536 ( 1576 PWs) bands (ev): -4.7295 -4.7294 -4.1075 -4.1061 3.3214 3.3379 3.4201 3.4293 6.8123 6.8304 6.8549 6.8614 6.9034 6.9717 7.0513 7.0692 12.3690 12.3707 12.8703 12.8847 15.2230 15.2452 15.5963 15.6226 k = 0.0000 0.2143 0.3536 ( 1576 PWs) bands (ev): -4.6853 -4.6852 -4.0634 -4.0619 3.1649 3.1802 3.2679 3.2762 6.8392 6.8571 6.8803 6.8874 6.9341 6.9997 7.0822 7.0993 12.4337 12.4350 12.9465 12.9601 15.1336 15.1574 15.5005 15.5287 k = 0.0000 0.2245 0.3536 ( 1576 PWs) bands (ev): -4.6393 -4.6392 -4.0175 -4.0159 3.0086 3.0226 3.1159 3.1234 6.8668 6.8844 6.9066 6.9141 6.9658 7.0286 7.1140 7.1303 12.4955 12.4965 13.0184 13.0314 15.0401 15.0650 15.3936 15.4228 k = 0.0000 0.2347 0.3536 ( 1576 PWs) bands (ev): -4.5917 -4.5915 -3.9699 -3.9682 2.8531 2.8658 2.9645 2.9714 6.8952 6.9124 6.9337 6.9416 6.9985 7.0584 7.1466 7.1621 12.5545 12.5552 13.0859 13.0984 14.9452 14.9711 15.2836 15.3134 k = 0.0000 0.2449 0.3536 ( 1570 PWs) bands (ev): -4.5425 -4.5423 -3.9206 -3.9188 2.6985 2.7099 2.8139 2.8205 6.9242 6.9409 6.9616 6.9697 7.0319 7.0891 7.1799 7.1946 12.6107 12.6110 13.1487 13.1609 14.8507 14.8778 15.1734 15.2037 k = 0.0000 0.2551 0.3536 ( 1566 PWs) bands (ev): -4.4917 -4.4915 -3.8697 -3.8678 2.5453 2.5554 2.6646 2.6709 6.9536 6.9698 6.9902 6.9983 7.0659 7.1204 7.2137 7.2277 12.6640 12.6641 13.2065 13.2185 14.7584 14.7866 15.0647 15.0952 k = 0.0000 0.2653 0.3536 ( 1566 PWs) bands (ev): -4.4396 -4.4393 -3.8174 -3.8154 2.3938 2.4026 2.5167 2.5228 6.9835 6.9990 7.0194 7.0274 7.1005 7.1524 7.2480 7.2613 12.7144 12.7145 13.2587 13.2707 14.6696 14.6991 14.9583 14.9891 k = 0.0000 0.2755 0.3536 ( 1566 PWs) bands (ev): -4.3862 -4.3858 -3.7636 -3.7616 2.2442 2.2519 2.3706 2.3766 7.0136 7.0285 7.0490 7.0568 7.1354 7.1847 7.2827 7.2952 12.7618 12.7621 13.3048 13.3169 14.5858 14.6167 14.8550 14.8861 k = 0.0000 0.2857 0.3536 ( 1566 PWs) bands (ev): -4.3316 -4.3312 -3.7086 -3.7065 2.0969 2.1034 2.2266 2.2324 7.0438 7.0580 7.0790 7.0865 7.1706 7.2174 7.3175 7.3294 12.8061 12.8065 13.3436 13.3559 14.5084 14.5409 14.7557 14.7872 k = 0.0000 0.2959 0.3536 ( 1566 PWs) bands (ev): -4.2760 -4.2756 -3.6525 -3.6503 1.9522 1.9576 2.0848 2.0907 7.0741 7.0874 7.1092 7.1163 7.2060 7.2503 7.3525 7.3637 12.8471 12.8477 13.3742 13.3867 14.4391 14.4734 14.6609 14.6930 k = 0.0000 0.3061 0.3536 ( 1574 PWs) bands (ev): -4.2196 -4.2191 -3.5954 -3.5931 1.8104 1.8147 1.9457 1.9515 7.1043 7.1167 7.1395 7.1461 7.2413 7.2832 7.3873 7.3980 12.8845 12.8852 13.3951 13.4077 14.3793 14.4157 14.5714 14.6045 k = 0.0000 0.3163 0.3536 ( 1578 PWs) bands (ev): -4.1626 -4.1621 -3.5375 -3.5351 1.6719 1.6750 1.8094 1.8152 7.1342 7.1457 7.1697 7.1757 7.2764 7.3160 7.4220 7.4320 12.9180 12.9187 13.4052 13.4178 14.3301 14.3690 14.4883 14.5229 k = 0.0000 0.3265 0.3536 ( 1574 PWs) bands (ev): -4.1052 -4.1045 -3.4790 -3.4766 1.5368 1.5390 1.6762 1.6821 7.1636 7.1742 7.1997 7.2051 7.3112 7.3485 7.4562 7.4657 12.9472 12.9478 13.4040 13.4161 14.2913 14.3329 14.4134 14.4502 k = 0.0000 0.3367 0.3536 ( 1568 PWs) bands (ev): -4.0475 -4.0468 -3.4201 -3.4176 1.4056 1.4069 1.5465 1.5525 7.1925 7.2022 7.2293 7.2341 7.3455 7.3806 7.4899 7.4988 12.9717 12.9722 13.3914 13.4027 14.2600 14.3014 14.3536 14.3899 k = 0.0000 0.3469 0.3536 ( 1572 PWs) bands (ev): -3.9899 -3.9892 -3.3612 -3.3586 1.2787 1.2790 1.4206 1.4267 7.2207 7.2295 7.2583 7.2626 7.3792 7.4119 7.5229 7.5312 12.9910 12.9914 13.3687 13.3790 14.2297 14.2574 14.3254 14.3481 k = 0.0000 0.3571 0.3536 ( 1572 PWs) bands (ev): -3.9328 -3.9320 -3.3024 -3.2998 1.1559 1.1564 1.2989 1.3051 7.2480 7.2559 7.2866 7.2903 7.4119 7.4425 7.5550 7.5628 13.0049 13.0051 13.3378 13.3468 14.1947 14.2068 14.3217 14.3292 k = 0.0000 0.3673 0.3536 ( 1564 PWs) bands (ev): -3.8763 -3.8755 -3.2441 -3.2415 1.0378 1.0391 1.1818 1.1881 7.2743 7.2813 7.3140 7.3172 7.4437 7.4720 7.5860 7.5932 13.0131 13.0132 13.3009 13.3086 14.1575 14.1610 14.3286 14.3293 k = 0.0000 0.3776 0.3536 ( 1564 PWs) bands (ev): -3.8209 -3.8201 -3.1867 -3.1841 0.9253 0.9273 1.0696 1.0760 7.2993 7.3056 7.3403 7.3431 7.4742 7.5004 7.6158 7.6224 13.0155 13.0159 13.2603 13.2668 14.1222 14.1229 14.3392 14.3433 k = 0.0000 0.3878 0.3536 ( 1564 PWs) bands (ev): -3.7671 -3.7662 -3.1307 -3.1281 0.8188 0.8214 0.9629 0.9693 7.3231 7.3286 7.3654 7.3677 7.5033 7.5273 7.6441 7.6501 13.0127 13.0133 13.2180 13.2234 14.0910 14.0936 14.3560 14.3600 k = 0.0000 0.3980 0.3536 ( 1566 PWs) bands (ev): -3.7152 -3.7144 -3.0764 -3.0739 0.7188 0.7219 0.8622 0.8686 7.3453 7.3501 7.3890 7.3909 7.5308 7.5526 7.6707 7.6762 13.0051 13.0060 13.1756 13.1802 14.0670 14.0703 14.3387 14.3416 k = 0.0000 0.4082 0.3536 ( 1564 PWs) bands (ev): -3.6658 -3.6650 -3.0245 -3.0220 0.6258 0.6294 0.7681 0.7744 7.3659 7.3701 7.4110 7.4126 7.5564 7.5761 7.6955 7.7005 12.9938 12.9948 13.1346 13.1385 14.0493 14.0528 14.2864 14.2877 k = 0.0000 0.4184 0.3536 ( 1564 PWs) bands (ev): -3.6194 -3.6186 -2.9754 -2.9730 0.5406 0.5445 0.6812 0.6874 7.3848 7.3884 7.4312 7.4325 7.5801 7.5976 7.7183 7.7227 12.9797 12.9807 13.0961 13.0994 14.0371 14.0404 14.2377 14.2387 k = 0.0000 0.4286 0.3536 ( 1560 PWs) bands (ev): -3.5766 -3.5758 -2.9299 -2.9276 0.4635 0.4676 0.6021 0.6081 7.4018 7.4048 7.4495 7.4505 7.6016 7.6169 7.7389 7.7428 12.9639 12.9649 13.0609 13.0638 14.0293 14.0322 14.1941 14.1949 k = 0.0000 0.4388 0.3536 ( 1570 PWs) bands (ev): -3.5379 -3.5371 -2.8885 -2.8864 0.3953 0.3994 0.5316 0.5372 7.4168 7.4193 7.4657 7.4665 7.6208 7.6339 7.7572 7.7605 12.9475 12.9483 13.0296 13.0321 14.0249 14.0272 14.1558 14.1566 k = 0.0000 0.4490 0.3536 ( 1570 PWs) bands (ev): -3.5039 -3.5032 -2.8519 -2.8501 0.3366 0.3404 0.4705 0.4755 7.4297 7.4317 7.4797 7.4803 7.6374 7.6484 7.7730 7.7758 12.9315 12.9321 13.0028 13.0050 14.0227 14.0246 14.1231 14.1239 k = 0.0000 0.4592 0.3536 ( 1566 PWs) bands (ev): -3.4751 -3.4745 -2.8208 -2.8193 0.2877 0.2912 0.4193 0.4237 7.4404 7.4420 7.4913 7.4917 7.6515 7.6602 7.7861 7.7884 12.9169 12.9173 12.9808 12.9827 14.0221 14.0234 14.0962 14.0969 k = 0.0000 0.4694 0.3536 ( 1562 PWs) bands (ev): -3.4521 -3.4517 -2.7959 -2.7947 0.2494 0.2522 0.3789 0.3824 7.4489 7.4500 7.5004 7.5008 7.6628 7.6693 7.7966 7.7982 12.9045 12.9048 12.9637 12.9652 14.0223 14.0230 14.0752 14.0760 k = 0.0000 0.4796 0.3536 ( 1560 PWs) bands (ev): -3.4353 -3.4350 -2.7776 -2.7767 0.2218 0.2239 0.3498 0.3522 7.4550 7.4558 7.5070 7.5072 7.6712 7.6756 7.8041 7.8053 12.8951 12.8953 12.9516 12.9527 14.0226 14.0229 14.0604 14.0611 k = 0.0000 0.4898 0.3536 ( 1556 PWs) bands (ev): -3.4251 -3.4249 -2.7663 -2.7659 0.2054 0.2065 0.3324 0.3336 7.4588 7.4592 7.5110 7.5111 7.6768 7.6789 7.8088 7.8094 12.8893 12.8893 12.9445 12.9450 14.0227 14.0227 14.0518 14.0523 k = 0.0000 0.5000 0.3536 ( 1556 PWs) bands (ev): -3.4216 -3.4216 -2.7624 -2.7624 0.2003 0.2003 0.3270 0.3270 7.4602 7.4602 7.5124 7.5124 7.6793 7.6793 7.8106 7.8106 12.8873 12.8873 12.9423 12.9423 14.0227 14.0227 14.0492 14.0492 k = 0.0000 0.5000 0.3536 ( 1556 PWs) bands (ev): -3.4216 -3.4216 -2.7624 -2.7624 0.2003 0.2003 0.3270 0.3270 7.4602 7.4602 7.5124 7.5124 7.6793 7.6793 7.8106 7.8106 12.8873 12.8873 12.9423 12.9423 14.0227 14.0227 14.0492 14.0492 k = 0.0102 0.5000 0.3536 ( 1556 PWs) bands (ev): -3.4205 -3.4204 -2.7613 -2.7613 0.2014 0.2014 0.3279 0.3281 7.4521 7.4522 7.5096 7.5096 7.6748 7.6761 7.8027 7.8029 12.8928 12.8930 12.9497 12.9499 14.0213 14.0282 14.0455 14.0524 k = 0.0204 0.5000 0.3536 ( 1560 PWs) bands (ev): -3.4171 -3.4169 -2.7580 -2.7580 0.2045 0.2046 0.3309 0.3314 7.4279 7.4282 7.5008 7.5014 7.6612 7.6650 7.7796 7.7814 12.9092 12.9096 12.9716 12.9721 14.0221 14.0362 14.0434 14.0575 k = 0.0306 0.5000 0.3536 ( 1564 PWs) bands (ev): -3.4115 -3.4112 -2.7525 -2.7525 0.2098 0.2099 0.3360 0.3367 7.3878 7.3888 7.4857 7.4878 7.6361 7.6444 7.7437 7.7498 12.9354 12.9360 13.0069 13.0076 14.0217 14.0315 14.0588 14.0684 k = 0.0408 0.5000 0.3536 ( 1564 PWs) bands (ev): -3.4036 -3.4032 -2.7448 -2.7448 0.2171 0.2173 0.3432 0.3441 7.3326 7.3346 7.4632 7.4682 7.5958 7.6102 7.7008 7.7141 12.9699 12.9704 13.0537 13.0544 14.0186 14.0234 14.0840 14.0882 k = 0.0510 0.5000 0.3536 ( 1564 PWs) bands (ev): -3.3934 -3.3929 -2.7350 -2.7349 0.2266 0.2268 0.3524 0.3536 7.2636 7.2666 7.4297 7.4405 7.5411 7.5578 7.6589 7.6787 13.0105 13.0108 13.1093 13.1100 14.0135 14.0145 14.1182 14.1183 k = 0.0612 0.5000 0.3536 ( 1564 PWs) bands (ev): -3.3809 -3.3804 -2.7229 -2.7228 0.2381 0.2384 0.3637 0.3652 7.1821 7.1859 7.3763 7.3986 7.4825 7.4928 7.6200 7.6435 13.0551 13.0552 13.1702 13.1708 14.0059 14.0079 14.1591 14.1632 k = 0.0714 0.5000 0.3536 ( 1564 PWs) bands (ev): -3.3662 -3.3656 -2.7087 -2.7086 0.2518 0.2520 0.3770 0.3788 7.0894 7.0940 7.2948 7.3292 7.4317 7.4332 7.5809 7.6065 13.1012 13.1013 13.2326 13.2330 13.9987 14.0032 14.2120 14.2208 k = 0.0816 0.5000 0.3536 ( 1556 PWs) bands (ev): -3.3493 -3.3486 -2.6924 -2.6922 0.2674 0.2677 0.3924 0.3944 6.9868 6.9922 7.1905 7.2308 7.3848 7.3866 7.5392 7.5665 13.1470 13.1472 13.2921 13.2924 13.9943 14.0009 14.2742 14.2928 k = 0.0918 0.5000 0.3536 ( 1556 PWs) bands (ev): -3.3301 -3.3293 -2.6738 -2.6737 0.2851 0.2854 0.4097 0.4120 6.8757 6.8817 7.0713 7.1145 7.3390 7.3415 7.4937 7.5225 13.1911 13.1913 13.3452 13.3453 13.9937 14.0022 14.3063 14.3710 k = 0.1020 0.5000 0.3536 ( 1556 PWs) bands (ev): -3.3088 -3.3079 -2.6532 -2.6530 0.3047 0.3051 0.4290 0.4316 6.7573 6.7640 6.9417 6.9871 7.2913 7.2938 7.4440 7.4743 13.2324 13.2325 13.3891 13.3892 13.9981 14.0080 14.3032 14.3771 k = 0.1122 0.5000 0.3536 ( 1564 PWs) bands (ev): -3.2852 -3.2843 -2.6304 -2.6302 0.3264 0.3268 0.4502 0.4531 6.6328 6.6400 6.8044 6.8515 7.2402 7.2425 7.3899 7.4217 13.2701 13.2702 13.4229 13.4229 14.0080 14.0189 14.2982 14.3745 k = 0.1224 0.5000 0.3536 ( 1572 PWs) bands (ev): -3.2595 -3.2585 -2.6056 -2.6054 0.3499 0.3504 0.4733 0.4766 6.5033 6.5109 6.6610 6.7097 7.1851 7.1874 7.3314 7.3646 13.3040 13.3043 13.4470 13.4470 14.0235 14.0350 14.2962 14.3747 k = 0.1327 0.5000 0.3536 ( 1572 PWs) bands (ev): -3.2317 -3.2306 -2.5786 -2.5784 0.3754 0.3759 0.4983 0.5019 6.3696 6.3777 6.5130 6.5632 7.1259 7.1282 7.2686 7.3030 13.3343 13.3349 13.4628 13.4630 14.0444 14.0560 14.2982 14.3787 k = 0.1429 0.5000 0.3536 ( 1572 PWs) bands (ev): -3.2017 -3.2005 -2.5497 -2.5494 0.4026 0.4033 0.5251 0.5290 6.2327 6.2412 6.3614 6.4131 7.0626 7.0649 7.2014 7.2370 13.3616 13.3622 13.4726 13.4731 14.0701 14.0813 14.3048 14.3867 k = 0.1531 0.5000 0.3536 ( 1564 PWs) bands (ev): -3.1696 -3.1684 -2.5187 -2.5184 0.4317 0.4324 0.5536 0.5580 6.0934 6.1023 6.2073 6.2604 6.9952 6.9976 7.1301 7.1667 13.3863 13.3868 13.4783 13.4791 14.0998 14.1105 14.3163 14.3990 k = 0.1633 0.5000 0.3536 ( 1568 PWs) bands (ev): -3.1355 -3.1342 -2.4857 -2.4854 0.4625 0.4632 0.5838 0.5886 5.9523 5.9615 6.0515 6.1059 6.9239 6.9263 7.0548 7.0923 13.4091 13.4094 13.4818 13.4830 14.1332 14.1431 14.3326 14.4158 k = 0.1735 0.5000 0.3536 ( 1568 PWs) bands (ev): -3.0994 -3.0980 -2.4507 -2.4504 0.4949 0.4958 0.6156 0.6208 5.8101 5.8196 5.8946 5.9504 6.8486 6.8513 6.9756 7.0140 13.4306 13.4307 13.4846 13.4862 14.1696 14.1788 14.3538 14.4369 k = 0.1837 0.5000 0.3536 ( 1568 PWs) bands (ev): -3.0613 -3.0599 -2.4138 -2.4136 0.5289 0.5299 0.6489 0.6547 5.6674 5.6772 5.7374 5.7945 6.7697 6.7726 6.8928 6.9318 13.4511 13.4519 13.4879 13.4899 14.2089 14.2172 14.3797 14.4624 k = 0.1939 0.5000 0.3536 ( 1564 PWs) bands (ev): -3.0212 -3.0198 -2.3751 -2.3748 0.5644 0.5655 0.6837 0.6900 5.5247 5.5347 5.5805 5.6388 6.6873 6.6905 6.8065 6.8461 13.4717 13.4731 13.4927 13.4950 14.2508 14.2582 14.4099 14.4921 k = 0.2041 0.5000 0.3536 ( 1564 PWs) bands (ev): -2.9793 -2.9779 -2.3345 -2.3342 0.6013 0.6024 0.7197 0.7266 5.3825 5.3927 5.4245 5.4840 6.6015 6.6050 6.7169 6.7570 13.4929 13.4945 13.5000 13.5024 14.2951 14.3017 14.4444 14.5257 k = 0.2143 0.5000 0.3536 ( 1572 PWs) bands (ev): -2.9356 -2.9342 -2.2921 -2.2919 0.6394 0.6407 0.7570 0.7644 5.2413 5.2514 5.2700 5.3305 6.5126 6.5165 6.6244 6.6647 13.5085 13.5111 13.5165 13.5188 14.3417 14.3476 14.4827 14.5631 k = 0.2245 0.5000 0.3536 ( 1564 PWs) bands (ev): -2.8902 -2.8887 -2.2481 -2.2478 0.6786 0.6800 0.7953 0.8034 5.1015 5.1099 5.1190 5.1789 6.4209 6.4252 6.5291 6.5696 13.5212 13.5243 13.5403 13.5435 14.3906 14.3958 14.5247 14.6042 k = 0.2347 0.5000 0.3536 ( 1564 PWs) bands (ev): -2.8431 -2.8416 -2.2023 -2.2020 0.7188 0.7204 0.8344 0.8432 4.9636 4.9636 4.9771 5.0296 6.3265 6.3312 6.4313 6.4719 13.5370 13.5403 13.5667 13.5703 14.4416 14.4463 14.5702 14.6488 k = 0.2449 0.5000 0.3536 ( 1564 PWs) bands (ev): -2.7944 -2.7929 -2.1550 -2.1547 0.7598 0.7615 0.8742 0.8838 4.8163 4.8281 4.8411 4.8832 6.2296 6.2348 6.3312 6.3718 13.5563 13.5598 13.5954 13.5995 14.4948 14.4990 14.6189 14.6967 k = 0.2551 0.5000 0.3536 ( 1564 PWs) bands (ev): -2.7442 -2.7427 -2.1062 -2.1059 0.8013 0.8032 0.9145 0.9249 4.6718 4.6952 4.7085 4.7403 6.1306 6.1363 6.2290 6.2696 13.5793 13.5828 13.6268 13.6311 14.5501 14.5539 14.6707 14.7478 k = 0.2653 0.5000 0.3536 ( 1564 PWs) bands (ev): -2.6926 -2.6911 -2.0560 -2.0558 0.8431 0.8453 0.9549 0.9662 4.5310 4.5655 4.5793 4.6013 6.0296 6.0359 6.1251 6.1655 13.6059 13.6095 13.6610 13.6655 14.6075 14.6110 14.7254 14.8019 k = 0.2755 0.5000 0.3536 ( 1564 PWs) bands (ev): -2.6397 -2.6383 -2.0045 -2.0043 0.8850 0.8874 0.9952 1.0074 4.3944 4.4394 4.4540 4.4669 5.9270 5.9338 6.0197 6.0598 13.6363 13.6399 13.6981 13.7026 14.6670 14.6702 14.7830 14.8589 k = 0.2857 0.5000 0.3536 ( 1552 PWs) bands (ev): -2.5857 -2.5843 -1.9519 -1.9516 0.9266 0.9293 1.0351 1.0481 4.2628 4.3173 4.3329 4.3378 5.8229 5.8303 5.9130 5.9528 13.6705 13.6741 13.7380 13.7425 14.7285 14.7316 14.8432 14.9188 k = 0.2959 0.5000 0.3536 ( 1560 PWs) bands (ev): -2.5307 -2.5294 -1.8981 -1.8979 0.9676 0.9706 1.0740 1.0880 4.1368 4.1994 4.2150 4.2167 5.7177 5.7257 5.8052 5.8448 13.7083 13.7119 13.7809 13.7852 14.7919 14.7950 14.9060 14.9814 k = 0.3061 0.5000 0.3536 ( 1560 PWs) bands (ev): -2.4749 -2.4737 -1.8435 -1.8433 1.0074 1.0109 1.1117 1.1266 4.0170 4.0859 4.0996 4.1060 5.6115 5.6201 5.6967 5.7359 13.7498 13.7532 13.8267 13.8306 14.8573 14.8604 14.9714 15.0467 k = 0.3163 0.5000 0.3536 ( 1556 PWs) bands (ev): -2.4185 -2.4173 -1.7882 -1.7880 1.0458 1.0497 1.1475 1.1633 3.9042 3.9777 3.9922 4.0014 5.5046 5.5139 5.5876 5.6264 13.7947 13.7981 13.8752 13.8788 14.9246 14.9277 15.0393 15.1146 k = 0.3265 0.5000 0.3536 ( 1556 PWs) bands (ev): -2.3616 -2.3605 -1.7323 -1.7321 1.0821 1.0865 1.1810 1.1976 3.7994 3.8760 3.8928 3.9037 5.3973 5.4072 5.4782 5.5165 13.8431 13.8464 13.9264 13.9295 14.9938 14.9970 15.1095 15.1851 k = 0.3367 0.5000 0.3536 ( 1556 PWs) bands (ev): -2.3045 -2.3035 -1.6761 -1.6759 1.1158 1.1208 1.2115 1.2287 3.7032 3.7825 3.8017 3.8136 5.2898 5.3004 5.3687 5.4066 13.8948 13.8980 13.9800 13.9827 15.0647 15.0682 15.1821 15.2579 k = 0.3469 0.5000 0.3536 ( 1556 PWs) bands (ev): -2.2475 -2.2466 -1.6199 -1.6197 1.1463 1.1520 1.2385 1.2562 3.6168 3.6982 3.7193 3.7319 5.1824 5.1936 5.2593 5.2969 13.9495 13.9526 14.0360 14.0380 15.1373 15.1411 15.2569 15.3332 k = 0.3571 0.5000 0.3536 ( 1556 PWs) bands (ev): -2.1909 -2.1900 -1.5638 -1.5637 1.1730 1.1795 1.2614 1.2792 3.5409 3.6241 3.6463 3.6594 5.0752 5.0871 5.1504 5.1875 14.0071 14.0100 14.0939 14.0953 15.2116 15.2156 15.3340 15.4108 k = 0.3673 0.5000 0.3536 ( 1548 PWs) bands (ev): -2.1349 -2.1342 -1.5083 -1.5082 1.1954 1.2029 1.2797 1.2973 3.4765 3.5610 3.5836 3.5969 4.9687 4.9812 5.0421 5.0788 14.0674 14.0701 14.1535 14.1543 15.2873 15.2917 15.4131 15.4906 k = 0.3776 0.5000 0.3536 ( 1548 PWs) bands (ev): -2.0801 -2.0794 -1.4537 -1.4536 1.2130 1.2215 1.2932 1.3100 3.4243 3.5094 3.5319 3.5451 4.8629 4.8762 4.9347 4.9709 14.1299 14.1325 14.2144 14.2146 15.3643 15.3691 15.4944 15.5725 k = 0.3878 0.5000 0.3536 ( 1544 PWs) bands (ev): -2.0267 -2.0262 -1.4003 -1.4002 1.2255 1.2352 1.3017 1.3171 3.3848 3.4696 3.4920 3.5047 4.7583 4.7722 4.8284 4.8642 14.1944 14.1968 14.2758 14.2762 15.4425 15.4477 15.5775 15.6565 k = 0.3980 0.5000 0.3536 ( 1548 PWs) bands (ev): -1.9753 -1.9749 -1.3487 -1.3487 1.2328 1.2437 1.3053 1.3189 3.3581 3.4416 3.4644 3.4759 4.6550 4.6696 4.7236 4.7589 14.2603 14.2626 14.3372 14.3383 15.5215 15.5272 15.6625 15.7424 k = 0.4082 0.5000 0.3536 ( 1544 PWs) bands (ev): -1.9263 -1.9260 -1.2994 -1.2993 1.2352 1.2471 1.3044 1.3158 3.3444 3.4254 3.4494 3.4591 4.5535 4.5687 4.6204 4.6554 14.3272 14.3292 14.3984 14.4000 15.6010 15.6071 15.7491 15.8299 k = 0.4184 0.5000 0.3536 ( 1544 PWs) bands (ev): -1.8803 -1.8801 -1.2528 -1.2527 1.2331 1.2459 1.2996 1.3085 3.3430 3.4203 3.4468 3.4541 4.4540 4.4699 4.5192 4.5538 14.3942 14.3961 14.4585 14.4605 15.6805 15.6869 15.8371 15.9188 k = 0.4286 0.5000 0.3536 ( 1548 PWs) bands (ev): -1.8378 -1.8377 -1.2095 -1.2095 1.2274 1.2407 1.2918 1.2982 3.3533 3.4260 3.4561 3.4604 4.3571 4.3735 4.4204 4.4546 14.4604 14.4621 14.5165 14.5189 15.7591 15.7658 15.9261 16.0087 k = 0.4388 0.5000 0.3536 ( 1548 PWs) bands (ev): -1.7994 -1.7993 -1.1703 -1.1703 1.2192 1.2323 1.2819 1.2862 3.3741 3.4418 3.4761 3.4776 4.2634 4.2800 4.3244 4.3583 14.5247 14.5261 14.5715 14.5741 15.8357 15.8425 16.0156 16.0987 k = 0.4490 0.5000 0.3536 ( 1540 PWs) bands (ev): -1.7657 -1.7656 -1.1357 -1.1357 1.2096 1.2219 1.2711 1.2736 3.4043 3.4665 3.5045 3.5057 4.1735 4.1901 4.2318 4.2653 14.5854 14.5866 14.6220 14.6246 15.9085 15.9150 16.1047 16.1877 k = 0.4592 0.5000 0.3536 ( 1544 PWs) bands (ev): -1.7372 -1.7372 -1.1063 -1.1063 1.2000 1.2107 1.2604 1.2616 3.4423 3.4988 3.5400 3.5432 4.0889 4.1046 4.1435 4.1766 14.6405 14.6415 14.6666 14.6691 15.9742 15.9799 16.1919 16.2732 k = 0.4694 0.5000 0.3536 ( 1544 PWs) bands (ev): -1.7144 -1.7144 -1.0828 -1.0827 1.1915 1.2001 1.2507 1.2513 3.4859 3.5361 3.5821 3.5862 4.0119 4.0252 4.0609 4.0935 14.6877 14.6885 14.7038 14.7059 16.0272 16.0312 16.2616 16.2655 k = 0.4796 0.5000 0.3536 ( 1544 PWs) bands (ev): -1.6978 -1.6978 -1.0655 -1.0655 1.1851 1.1911 1.2432 1.2433 3.5322 3.5737 3.6276 3.6308 3.9470 3.9550 3.9871 4.0183 14.7242 14.7249 14.7320 14.7334 16.0594 16.0611 16.2314 16.2368 k = 0.4898 0.5000 0.3536 ( 1544 PWs) bands (ev): -1.6877 -1.6877 -1.0550 -1.0550 1.1816 1.1846 1.2383 1.2383 3.5750 3.6012 3.6686 3.6696 3.9016 3.9019 3.9318 3.9565 14.7474 14.7480 14.7499 14.7504 16.0689 16.0692 16.2261 16.2298 k = 0.5000 0.5000 0.3536 ( 1544 PWs) bands (ev): -1.6843 -1.6843 -1.0515 -1.0515 1.1814 1.1814 1.2366 1.2366 3.6027 3.6027 3.6870 3.6870 3.8819 3.8819 3.9205 3.9205 14.7553 14.7553 14.7564 14.7564 16.0692 16.0692 16.2291 16.2291 k = 0.5000 0.5000 0.3536 ( 1544 PWs) bands (ev): -1.6843 -1.6843 -1.0515 -1.0515 1.1814 1.1814 1.2366 1.2366 3.6027 3.6027 3.6870 3.6870 3.8819 3.8819 3.9205 3.9205 14.7553 14.7553 14.7564 14.7564 16.0692 16.0692 16.2291 16.2291 k = 0.4928 0.4928 0.3536 ( 1544 PWs) bands (ev): -1.6878 -1.6878 -1.0550 -1.0550 1.1816 1.1847 1.2383 1.2383 3.5748 3.6010 3.6684 3.6694 3.9018 3.9021 3.9320 3.9568 14.7471 14.7475 14.7501 14.7507 16.0696 16.0699 16.2251 16.2290 k = 0.4855 0.4855 0.3536 ( 1544 PWs) bands (ev): -1.6980 -1.6980 -1.0657 -1.0657 1.1853 1.1914 1.2434 1.2435 3.5314 3.5725 3.6264 3.6301 3.9479 3.9560 3.9882 4.0194 14.7222 14.7229 14.7329 14.7342 16.0699 16.0717 16.2177 16.2248 k = 0.4783 0.4783 0.3536 ( 1544 PWs) bands (ev): -1.7149 -1.7149 -1.0833 -1.0833 1.1926 1.2014 1.2519 1.2521 3.4835 3.5324 3.5787 3.5836 4.0144 4.0278 4.0639 4.0962 14.6822 14.6830 14.7050 14.7067 16.0669 16.0736 16.2081 16.2172 k = 0.4710 0.4710 0.3536 ( 1546 PWs) bands (ev): -1.7384 -1.7384 -1.1077 -1.1076 1.2032 1.2146 1.2636 1.2642 3.4363 3.4904 3.5320 3.5370 4.0944 4.1101 4.1497 4.1822 14.6287 14.6299 14.6670 14.6687 16.0556 16.0731 16.1975 16.2075 k = 0.4638 0.4638 0.3536 ( 1548 PWs) bands (ev): -1.7681 -1.7681 -1.1385 -1.1384 1.2173 1.2309 1.2784 1.2796 3.3922 3.4503 3.4889 3.4930 4.1833 4.1997 4.2427 4.2750 14.5642 14.5657 14.6196 14.6208 16.0320 16.0667 16.1870 16.1982 k = 0.4565 0.4565 0.3536 ( 1548 PWs) bands (ev): -1.8038 -1.8038 -1.1756 -1.1753 1.2346 1.2500 1.2964 1.2983 3.3522 3.4139 3.4504 3.4531 4.2791 4.2955 4.3415 4.3735 14.4906 14.4925 14.5637 14.5640 15.9989 16.0517 16.1771 16.1906 k = 0.4493 0.4493 0.3536 ( 1548 PWs) bands (ev): -1.8452 -1.8452 -1.2183 -1.2180 1.2550 1.2719 1.3173 1.3202 3.3169 3.3817 3.4167 3.4178 4.3804 4.3966 4.4453 4.4769 14.4101 14.4125 14.4993 14.5003 15.9623 16.0289 16.1685 16.1839 k = 0.4420 0.4420 0.3536 ( 1542 PWs) bands (ev): -1.8918 -1.8918 -1.2664 -1.2659 1.2785 1.2965 1.3410 1.3451 3.2864 3.3542 3.3875 3.3881 4.4866 4.5024 4.5537 4.5847 14.3246 14.3273 14.4281 14.4308 15.9269 16.0020 16.1614 16.1781 k = 0.4348 0.4348 0.3536 ( 1542 PWs) bands (ev): -1.9433 -1.9433 -1.3195 -1.3188 1.3047 1.3235 1.3675 1.3730 3.2611 3.3315 3.3622 3.3645 4.5970 4.6124 4.6660 4.6963 14.2356 14.2387 14.3516 14.3562 15.8948 15.9747 16.1560 16.1734 k = 0.4275 0.4275 0.3536 ( 1542 PWs) bands (ev): -1.9994 -1.9993 -1.3769 -1.3761 1.3338 1.3530 1.3966 1.4037 3.2408 3.3135 3.3421 3.3459 4.7111 4.7262 4.7819 4.8113 14.1444 14.1479 14.2712 14.2779 15.8669 15.9492 16.1522 16.1700 k = 0.4203 0.4203 0.3536 ( 1542 PWs) bands (ev): -2.0594 -2.0594 -1.4385 -1.4374 1.3654 1.3849 1.4283 1.4371 3.2255 3.3001 3.3271 3.3322 4.8286 4.8434 4.9009 4.9293 14.0524 14.0561 14.1881 14.1969 15.8432 15.9265 16.1500 16.1680 k = 0.4130 0.4130 0.3536 ( 1540 PWs) bands (ev): -2.1232 -2.1231 -1.5036 -1.5023 1.3996 1.4190 1.4624 1.4729 3.2153 3.2915 3.3170 3.3233 4.9490 4.9637 5.0227 5.0500 13.9603 13.9643 14.1035 14.1143 15.8236 15.9071 16.1495 16.1674 k = 0.4058 0.4058 0.3536 ( 1548 PWs) bands (ev): -2.1902 -2.1902 -1.5719 -1.5704 1.4362 1.4554 1.4989 1.5112 3.2099 3.2873 3.3119 3.3190 5.0719 5.0864 5.1467 5.1728 13.8690 13.8734 14.0184 14.0312 15.8078 15.8909 16.1505 16.1683 k = 0.3986 0.3986 0.3536 ( 1544 PWs) bands (ev): -2.2601 -2.2600 -1.6430 -1.6413 1.4751 1.4940 1.5378 1.5518 3.2093 3.2876 3.3114 3.3193 5.1969 5.2114 5.2727 5.2975 13.7794 13.7839 13.9337 13.9484 15.7954 15.8778 16.1529 16.1707 k = 0.3913 0.3913 0.3536 ( 1550 PWs) bands (ev): -2.3325 -2.3324 -1.7164 -1.7146 1.5163 1.5348 1.5789 1.5945 3.2134 3.2922 3.3156 3.3239 5.3236 5.3381 5.4001 5.4235 13.6919 13.6967 13.8503 13.8668 15.7860 15.8676 16.1568 16.1745 k = 0.3841 0.3841 0.3536 ( 1550 PWs) bands (ev): -2.4070 -2.4069 -1.7919 -1.7899 1.5597 1.5777 1.6222 1.6394 3.2221 3.3010 3.3242 3.3328 5.4515 5.4660 5.5285 5.5505 13.6072 13.6122 13.7691 13.7871 15.7794 15.8601 16.1620 16.1796 k = 0.3768 0.3768 0.3536 ( 1550 PWs) bands (ev): -2.4834 -2.4833 -1.8691 -1.8670 1.6052 1.6227 1.6676 1.6864 3.2351 3.3140 3.3370 3.3457 5.5801 5.5948 5.6574 5.6779 13.5259 13.5310 13.6905 13.7100 15.7753 15.8550 16.1684 16.1859 k = 0.3696 0.3696 0.3536 ( 1554 PWs) bands (ev): -2.5613 -2.5611 -1.9477 -1.9455 1.6528 1.6699 1.7152 1.7355 3.2524 3.3310 3.3540 3.3626 5.7090 5.7239 5.7865 5.8054 13.4483 13.4536 13.6154 13.6361 15.7733 15.8520 16.1760 16.1933 k = 0.3623 0.3623 0.3536 ( 1554 PWs) bands (ev): -2.6403 -2.6402 -2.0274 -2.0250 1.7025 1.7191 1.7648 1.7865 3.2738 3.3518 3.3750 3.3834 5.8378 5.8529 5.9152 5.9325 13.3751 13.3805 13.5443 13.5661 15.7732 15.8510 16.1846 16.2017 k = 0.3551 0.3551 0.3536 ( 1560 PWs) bands (ev): -2.7203 -2.7201 -2.1078 -2.1054 1.7542 1.7703 1.8165 1.8394 3.2992 3.3764 3.3998 3.4078 5.9659 5.9812 6.0431 6.0586 13.3067 13.3122 13.4778 13.5005 15.7748 15.8515 16.1939 16.2109 k = 0.3478 0.3478 0.3536 ( 1564 PWs) bands (ev): -2.8010 -2.8008 -2.1889 -2.1864 1.8079 1.8236 1.8702 1.8943 3.3284 3.4047 3.4284 3.4357 6.0927 6.1083 6.1695 6.1834 13.2435 13.2491 13.4164 13.4399 15.7778 15.8535 16.2039 16.2207 k = 0.3406 0.3406 0.3536 ( 1560 PWs) bands (ev): -2.8821 -2.8819 -2.2703 -2.2677 1.8636 1.8789 1.9260 1.9511 3.3615 3.4364 3.4605 3.4672 6.2178 6.2336 6.2941 6.3062 13.1860 13.1916 13.3608 13.3848 15.7818 15.8565 16.2142 16.2308 k = 0.3333 0.3333 0.3536 ( 1560 PWs) bands (ev): -2.9634 -2.9632 -2.3518 -2.3492 1.9213 1.9361 1.9836 2.0098 3.3981 3.4716 3.4962 3.5020 6.3406 6.3565 6.4162 6.4265 13.1347 13.1403 13.3113 13.3357 15.7868 15.8604 16.2244 16.2408 k = 0.3261 0.3261 0.3536 ( 1560 PWs) bands (ev): -3.0447 -3.0445 -2.4332 -2.4306 1.9809 1.9953 2.0433 2.0703 3.4382 3.5101 3.5353 3.5400 6.4606 6.4765 6.5354 6.5438 13.0900 13.0956 13.2686 13.2932 15.7922 15.8647 16.2341 16.2501 k = 0.3188 0.3188 0.3536 ( 1560 PWs) bands (ev): -3.1259 -3.1256 -2.5144 -2.5118 2.0424 2.0565 2.1048 2.1327 3.4817 3.5517 3.5778 3.5811 6.5770 6.5930 6.6509 6.6576 13.0523 13.0579 13.2331 13.2577 15.7978 15.8691 16.2426 16.2582 k = 0.3116 0.3116 0.3536 ( 1560 PWs) bands (ev): -3.2067 -3.2064 -2.5952 -2.5925 2.1058 2.1196 2.1683 2.1969 3.5285 3.5964 3.6234 3.6254 6.6895 6.7052 6.7623 6.7674 13.0222 13.0277 13.2053 13.2297 15.8032 15.8731 16.2488 16.2639 k = 0.3043 0.3043 0.3536 ( 1564 PWs) bands (ev): -3.2869 -3.2867 -2.6754 -2.6727 2.1711 2.1846 2.2336 2.2629 3.5785 3.6440 3.6723 3.6726 6.7973 6.8126 6.8690 6.8725 13.0000 13.0054 13.1857 13.2098 15.8078 15.8761 16.2514 16.2657 k = 0.2971 0.2971 0.3536 ( 1564 PWs) bands (ev): -3.3666 -3.3664 -2.7549 -2.7522 2.2382 2.2515 2.3008 2.3306 3.6315 3.6945 3.7226 3.7242 6.8999 6.9145 6.9705 6.9726 12.9861 12.9913 13.1746 13.1982 15.8110 15.8775 16.2481 16.2613 k = 0.2899 0.2899 0.3536 ( 1564 PWs) bands (ev): -3.4454 -3.4452 -2.8335 -2.8309 2.3071 2.3202 2.3698 2.4002 3.6875 3.7477 3.7755 3.7792 6.9969 7.0105 7.0662 7.0671 12.9809 12.9859 13.1726 13.1955 15.8121 15.8764 16.2359 16.2474 k = 0.2826 0.2826 0.3536 ( 1568 PWs) bands (ev): -3.5234 -3.5231 -2.9112 -2.9086 2.3778 2.3907 2.4406 2.4715 3.7464 3.8036 3.8311 3.8371 7.0876 7.0999 7.1555 7.1556 12.9846 12.9894 13.1799 13.2019 15.8099 15.8716 16.2102 16.2193 k = 0.2754 0.2754 0.3536 ( 1572 PWs) bands (ev): -3.6003 -3.6000 -2.9878 -2.9852 2.4503 2.4630 2.5132 2.5445 3.8080 3.8620 3.8894 3.8978 7.1718 7.1822 7.2376 7.2382 12.9975 13.0021 13.1967 13.2178 15.8033 15.8615 16.1655 16.1712 k = 0.2681 0.2681 0.3536 ( 1572 PWs) bands (ev): -3.6760 -3.6758 -3.0632 -3.0607 2.5245 2.5371 2.5875 2.6192 3.8723 3.9229 3.9503 3.9613 7.2489 7.2571 7.3130 7.3138 13.0196 13.0239 13.2233 13.2433 15.7905 15.8442 16.0964 16.0981 k = 0.2609 0.2609 0.3536 ( 1568 PWs) bands (ev): -3.7505 -3.7503 -3.1373 -3.1349 2.6004 2.6129 2.6635 2.6955 3.9391 3.9862 4.0138 4.0275 7.3187 7.3242 7.3812 7.3819 13.0509 13.0550 13.2596 13.2785 15.7694 15.8173 15.9984 16.0008 k = 0.2536 0.2536 0.3536 ( 1568 PWs) bands (ev): -3.8238 -3.8235 -3.2102 -3.2077 2.6779 2.6903 2.7411 2.7735 4.0084 4.0518 4.0797 4.0962 7.3809 7.3835 7.4421 7.4425 13.0912 13.0951 13.3056 13.3233 15.7369 15.7774 15.8755 15.8814 k = 0.2464 0.2464 0.3536 ( 1568 PWs) bands (ev): -3.8956 -3.8953 -3.2815 -3.2792 2.7571 2.7694 2.8204 2.8531 4.0800 4.1197 4.1480 4.1675 7.4348 7.4355 7.4953 7.4956 13.1401 13.1438 13.3610 13.3776 15.6874 15.7166 15.7385 15.7490 k = 0.2391 0.2391 0.3536 ( 1572 PWs) bands (ev): -3.9659 -3.9657 -3.3514 -3.3491 2.8378 2.8500 2.9012 2.9342 4.1539 4.1897 4.2187 4.2412 7.4781 7.4824 7.5403 7.5415 13.1971 13.2007 13.4255 13.4411 15.5739 15.5867 15.6376 15.6556 k = 0.2319 0.2319 0.3536 ( 1572 PWs) bands (ev): -4.0346 -4.0344 -3.4197 -3.4175 2.9200 2.9322 2.9835 3.0168 4.2298 4.2618 4.2918 4.3172 7.5136 7.5216 7.5776 7.5799 13.2612 13.2647 13.4986 13.5133 15.4174 15.4301 15.5555 15.5627 k = 0.2246 0.2246 0.3536 ( 1576 PWs) bands (ev): -4.1018 -4.1016 -3.4864 -3.4842 3.0037 3.0158 3.0673 3.1009 4.3077 4.3360 4.3671 4.3954 7.5414 7.5533 7.6074 7.6109 13.3311 13.3345 13.5792 13.5934 15.2563 15.2698 15.4528 15.4574 k = 0.2174 0.2174 0.3536 ( 1572 PWs) bands (ev): -4.1672 -4.1670 -3.5514 -3.5493 3.0888 3.1008 3.1524 3.1863 4.3874 4.4121 4.4447 4.4758 7.5618 7.5777 7.6298 7.6346 13.4045 13.4081 13.6663 13.6803 15.0964 15.1104 15.3277 15.3438 k = 0.2101 0.2101 0.3536 ( 1576 PWs) bands (ev): -4.2310 -4.2308 -3.6146 -3.6126 3.1752 3.1871 3.2390 3.2732 4.4688 4.4900 4.5245 4.5581 7.5751 7.5951 7.6451 7.6513 13.4784 13.4822 13.7578 13.7722 14.9420 14.9564 15.1918 15.2183 k = 0.2029 0.2029 0.3536 ( 1572 PWs) bands (ev): -4.2929 -4.2927 -3.6761 -3.6741 3.2629 3.2747 3.3267 3.3612 4.5517 4.5697 4.6064 4.6424 7.5817 7.6057 7.6536 7.6613 13.5474 13.5515 13.8507 13.8663 14.7988 14.8133 15.0509 15.0866 k = 0.1957 0.1957 0.3536 ( 1572 PWs) bands (ev): -4.3530 -4.3528 -3.7357 -3.7338 3.3518 3.3634 3.4157 3.4505 4.6359 4.6510 4.6904 4.7284 7.5819 7.6099 7.6558 7.6650 13.6032 13.6074 13.9391 13.9570 14.6758 14.6895 14.9133 14.9571 k = 0.1884 0.1884 0.3536 ( 1568 PWs) bands (ev): -4.4112 -4.4110 -3.7934 -3.7916 3.4418 3.4533 3.5058 3.5410 4.7214 4.7338 4.7763 4.8161 7.5762 7.6081 7.6519 7.6626 13.6327 13.6366 14.0120 14.0324 14.5859 14.5976 14.7929 14.8429 k = 0.1812 0.1812 0.3536 ( 1570 PWs) bands (ev): -4.4675 -4.4674 -3.8493 -3.8475 3.5328 3.5441 3.5969 3.6325 4.8080 4.8181 4.8642 4.9053 7.5648 7.6007 7.6424 7.6547 13.6218 13.6242 14.0489 14.0686 14.5434 14.5518 14.7148 14.7664 k = 0.1739 0.1739 0.3536 ( 1570 PWs) bands (ev): -4.5219 -4.5217 -3.9031 -3.9014 3.6247 3.6358 3.6889 3.7249 4.8956 4.9036 4.9537 4.9959 7.5483 7.5880 7.6277 7.6416 13.5640 13.5642 14.0261 14.0366 14.5538 14.5609 14.7061 14.7527 k = 0.1667 0.1667 0.3536 ( 1566 PWs) bands (ev): -4.5742 -4.5741 -3.9550 -3.9534 3.7175 3.7283 3.7818 3.8183 4.9840 4.9903 5.0448 5.0877 7.5270 7.5703 7.6082 7.6236 13.4648 13.4669 13.9390 13.9416 14.6091 14.6170 14.7645 14.8035 k = 0.1594 0.1594 0.3536 ( 1572 PWs) bands (ev): -4.6246 -4.6244 -4.0049 -4.0033 3.8110 3.8214 3.8754 3.9124 5.0731 5.0780 5.1372 5.1805 7.5012 7.5481 7.5842 7.6011 13.3398 13.3436 13.8040 13.8170 14.6950 14.7037 14.8644 14.8972 k = 0.1522 0.1522 0.3536 ( 1572 PWs) bands (ev): -4.6728 -4.6727 -4.0527 -4.0512 3.9050 3.9151 3.9695 4.0072 5.1628 5.1665 5.2307 5.2741 7.4713 7.5217 7.5562 7.5745 13.2003 13.2053 13.6518 13.6717 14.7994 14.8085 14.9860 15.0142 k = 0.1449 0.1449 0.3536 ( 1572 PWs) bands (ev): -4.7190 -4.7189 -4.0984 -4.0970 3.9996 4.0091 4.0642 4.1025 5.2529 5.2556 5.3250 5.3683 7.4376 7.4913 7.5244 7.5442 13.0531 13.0590 13.4922 13.5166 14.9137 14.9232 15.1186 15.1425 k = 0.1377 0.1377 0.3536 ( 1572 PWs) bands (ev): -4.7631 -4.7629 -4.1421 -4.1407 4.0944 4.1034 4.1592 4.1982 5.3432 5.3450 5.4199 5.4629 7.4004 7.4573 7.4891 7.5104 12.9023 12.9088 13.3298 13.3573 15.0313 15.0411 15.2542 15.2718 k = 0.1304 0.1304 0.3536 ( 1572 PWs) bands (ev): -4.8050 -4.8049 -4.1836 -4.1823 4.1894 4.1977 4.2544 4.2942 5.4335 5.4346 5.5152 5.5575 7.3600 7.4199 7.4509 7.4734 12.7507 12.7575 13.1674 13.1969 15.1437 15.1541 15.3721 15.3745 k = 0.1232 0.1232 0.3536 ( 1572 PWs) bands (ev): -4.8448 -4.8447 -4.2230 -4.2218 4.2844 4.2920 4.3496 4.3903 5.5235 5.5241 5.6104 5.6520 7.3167 7.3792 7.4098 7.4336 12.5999 12.6069 13.0065 13.0373 15.2349 15.2459 15.3613 15.3651 k = 0.1159 0.1159 0.3536 ( 1572 PWs) bands (ev): -4.8824 -4.8823 -4.2602 -4.2591 4.3791 4.3859 4.4447 4.4864 5.6129 5.6131 5.7052 5.7458 7.2706 7.3357 7.3663 7.3912 12.4511 12.4582 12.8483 12.8799 15.2595 15.2598 15.2792 15.2851 k = 0.1087 0.1087 0.3536 ( 1572 PWs) bands (ev): -4.9178 -4.9177 -4.2953 -4.2942 4.4734 4.4792 4.5395 4.5821 5.7013 5.7015 5.7992 5.8387 7.2221 7.2893 7.3207 7.3464 12.3054 12.3124 12.6937 12.7256 15.1478 15.1537 15.2438 15.2498 k = 0.1014 0.1014 0.3536 ( 1572 PWs) bands (ev): -4.9510 -4.9509 -4.3281 -4.3272 4.5670 4.5717 4.6337 4.6774 5.7883 5.7888 5.8921 5.9301 7.1713 7.2404 7.2733 7.2997 12.1635 12.1705 12.5436 12.5755 15.0376 15.0453 15.1702 15.1744 k = 0.0942 0.0942 0.3536 ( 1580 PWs) bands (ev): -4.9820 -4.9819 -4.3588 -4.3579 4.6596 4.6631 4.7271 4.7719 5.8736 5.8744 5.9832 6.0197 7.1186 7.1891 7.2244 7.2512 12.0262 12.0331 12.3987 12.4302 14.9325 14.9409 15.0830 15.0862 k = 0.0870 0.0870 0.3536 ( 1580 PWs) bands (ev): -5.0107 -5.0106 -4.3872 -4.3864 4.7508 4.7531 4.8195 4.8654 5.9568 5.9578 6.0721 6.1068 7.0643 7.1358 7.1744 7.2013 11.8944 11.9011 12.2597 12.2905 14.8335 14.8422 14.9938 14.9964 k = 0.0797 0.0797 0.3536 ( 1576 PWs) bands (ev): -5.0372 -5.0371 -4.4134 -4.4127 4.8402 4.8412 4.9106 4.9575 6.0373 6.0384 6.1582 6.1908 7.0086 7.0807 7.1237 7.1505 11.7687 11.7751 12.1274 12.1572 14.7411 14.7497 14.9073 14.9095 k = 0.0725 0.0725 0.3536 ( 1584 PWs) bands (ev): -5.0614 -5.0614 -4.4374 -4.4367 4.9270 4.9273 5.0000 5.0477 6.1145 6.1157 6.2407 6.2711 6.9519 7.0241 7.0727 7.0991 11.6499 11.6560 12.0025 12.0310 14.6556 14.6639 14.8257 14.8275 k = 0.0652 0.0652 0.3536 ( 1584 PWs) bands (ev): -5.0834 -5.0833 -4.4591 -4.4585 5.0099 5.0115 5.0873 5.1356 6.1877 6.1890 6.3190 6.3467 6.8947 6.9665 7.0220 7.0476 11.5387 11.5445 11.8860 11.9128 14.5775 14.5854 14.7500 14.7517 k = 0.0580 0.0580 0.3536 ( 1590 PWs) bands (ev): -5.1030 -5.1030 -4.4785 -4.4780 5.0893 5.0921 5.1720 5.2204 6.2563 6.2575 6.3922 6.4168 6.8376 6.9085 6.9723 6.9968 11.4361 11.4414 11.7785 11.8035 14.5069 14.5142 14.6811 14.6826 k = 0.0507 0.0507 0.3536 ( 1586 PWs) bands (ev): -5.1204 -5.1203 -4.4957 -4.4952 5.1644 5.1682 5.2535 5.3014 6.3193 6.3206 6.4593 6.4803 6.7815 6.8509 6.9245 6.9476 11.3428 11.3476 11.6811 11.7038 14.4442 14.4508 14.6195 14.6208 k = 0.0435 0.0435 0.3536 ( 1586 PWs) bands (ev): -5.1354 -5.1354 -4.5106 -4.5101 5.2341 5.2387 5.3308 5.3774 6.3761 6.3774 6.5192 6.5357 6.7274 6.7947 6.8800 6.9011 11.2597 11.2639 11.5945 11.6147 14.3895 14.3954 14.5656 14.5666 k = 0.0362 0.0362 0.3536 ( 1586 PWs) bands (ev): -5.1482 -5.1482 -4.5232 -4.5228 5.2974 5.3024 5.4030 5.4469 6.4259 6.4272 6.5705 6.5808 6.6768 6.7419 6.8405 6.8589 11.1876 11.1913 11.5197 11.5371 14.3431 14.3480 14.5195 14.5204 k = 0.0290 0.0290 0.3536 ( 1586 PWs) bands (ev): -5.1586 -5.1586 -4.5335 -4.5332 5.3527 5.3577 5.4684 5.5079 6.4679 6.4691 6.6097 6.6104 6.6337 6.6972 6.8084 6.8232 11.1274 11.1304 11.4575 11.4718 14.3049 14.3090 14.4815 14.4822 k = 0.0217 0.0217 0.3536 ( 1586 PWs) bands (ev): -5.1668 -5.1667 -4.5415 -4.5413 5.3986 5.4029 5.5252 5.5582 6.5013 6.5025 6.5913 6.6107 6.6435 6.6742 6.7870 6.7967 11.0798 11.0821 11.4087 11.4197 14.2753 14.2783 14.4519 14.4524 k = 0.0145 0.0145 0.3536 ( 1594 PWs) bands (ev): -5.1726 -5.1726 -4.5472 -4.5471 5.4333 5.4365 5.5709 5.5949 6.5256 6.5268 6.5640 6.5857 6.6591 6.6708 6.7775 6.7819 11.0454 11.0470 11.3738 11.3813 14.2541 14.2562 14.4306 14.4310 k = 0.0072 0.0072 0.3536 ( 1602 PWs) bands (ev): -5.1761 -5.1761 -4.5506 -4.5506 5.4553 5.4570 5.6027 5.6154 6.5404 6.5416 6.5488 6.5619 6.6646 6.6684 6.7758 6.7769 11.0247 11.0255 11.3535 11.3573 14.2417 14.2427 14.4179 14.4181 k = 0.0000 0.0000 0.3536 ( 1634 PWs) bands (ev): -5.1773 -5.1773 -4.5518 -4.5518 5.4633 5.4633 5.6180 5.6180 6.5455 6.5455 6.5488 6.5488 6.6662 6.6662 6.7761 6.7761 11.0180 11.0180 11.3480 11.3480 14.2378 14.2378 14.4137 14.4137 k = 0.0000 0.5000-0.0000 ( 1568 PWs) bands (ev): -3.8262 -3.8262 -3.2842 -3.2842 2.7388 2.7388 2.7851 2.7851 4.0550 4.0550 4.1337 4.1337 7.3098 7.3098 7.5722 7.5722 12.9655 12.9655 13.5240 13.5240 15.4029 15.4029 16.3419 16.3419 k = 0.0000 0.5000 0.0101 ( 1572 PWs) bands (ev): -3.8256 -3.8256 -3.2834 -3.2834 2.7247 2.7247 2.7705 2.7705 4.0711 4.0711 4.1493 4.1493 7.3100 7.3100 7.5725 7.5725 12.9663 12.9663 13.5247 13.5247 15.3989 15.3989 16.3348 16.3348 k = 0.0000 0.5000 0.0202 ( 1572 PWs) bands (ev): -3.8236 -3.8236 -3.2809 -3.2809 2.6841 2.6841 2.7288 2.7288 4.1175 4.1175 4.1942 4.1942 7.3109 7.3109 7.5737 7.5737 12.9684 12.9684 13.5267 13.5267 15.3873 15.3873 16.3138 16.3138 k = 0.0000 0.5000 0.0303 ( 1572 PWs) bands (ev): -3.8202 -3.8202 -3.2769 -3.2769 2.6217 2.6217 2.6650 2.6650 4.1889 4.1889 4.2639 4.2639 7.3124 7.3124 7.5756 7.5756 12.9719 12.9719 13.5300 13.5300 15.3682 15.3682 16.2798 16.2798 k = 0.0000 0.5000 0.0404 ( 1574 PWs) bands (ev): -3.8155 -3.8155 -3.2713 -3.2713 2.5427 2.5427 2.5848 2.5848 4.2797 4.2797 4.3531 4.3531 7.3144 7.3144 7.5782 7.5782 12.9767 12.9767 13.5346 13.5346 15.3419 15.3419 16.2338 16.2338 k = 0.0000 0.5000 0.0505 ( 1570 PWs) bands (ev): -3.8095 -3.8095 -3.2640 -3.2640 2.4519 2.4519 2.4933 2.4933 4.3846 4.3846 4.4569 4.4569 7.3169 7.3169 7.5815 7.5815 12.9829 12.9829 13.5403 13.5403 15.3092 15.3092 16.1773 16.1773 k = 0.0000 0.5000 0.0606 ( 1566 PWs) bands (ev): -3.8023 -3.8023 -3.2553 -3.2553 2.3533 2.3533 2.3943 2.3943 4.4999 4.4999 4.5717 4.5717 7.3200 7.3200 7.5856 7.5856 12.9904 12.9904 13.5470 13.5470 15.2705 15.2705 16.1118 16.1118 k = 0.0000 0.5000 0.0707 ( 1566 PWs) bands (ev): -3.7938 -3.7938 -3.2450 -3.2450 2.2496 2.2496 2.2906 2.2906 4.6226 4.6226 4.6945 4.6945 7.3236 7.3236 7.5903 7.5903 12.9990 12.9990 13.5547 13.5547 15.2267 15.2267 16.0386 16.0386 k = 0.0000 0.5000 0.0808 ( 1566 PWs) bands (ev): -3.7841 -3.7841 -3.2332 -3.2332 2.1427 2.1427 2.1840 2.1840 4.7508 4.7508 4.8233 4.8233 7.3277 7.3277 7.5956 7.5956 13.0087 13.0087 13.5632 13.5632 15.1783 15.1783 15.9585 15.9585 k = 0.0000 0.5000 0.0909 ( 1570 PWs) bands (ev): -3.7732 -3.7732 -3.2200 -3.2200 2.0342 2.0342 2.0762 2.0762 4.8829 4.8829 4.9566 4.9566 7.3322 7.3322 7.6016 7.6016 13.0194 13.0194 13.5721 13.5721 15.1261 15.1261 15.8718 15.8718 k = 0.0000 0.5000 0.1010 ( 1566 PWs) bands (ev): -3.7613 -3.7613 -3.2054 -3.2054 1.9250 1.9250 1.9680 1.9680 5.0179 5.0179 5.0931 5.0931 7.3372 7.3372 7.6081 7.6081 13.0309 13.0309 13.5812 13.5812 15.0710 15.0710 15.7769 15.7769 k = 0.0000 0.5000 0.1111 ( 1562 PWs) bands (ev): -3.7483 -3.7483 -3.1895 -3.1895 1.8161 1.8161 1.8604 1.8604 5.1548 5.1548 5.2321 5.2321 7.3426 7.3426 7.6152 7.6152 13.0431 13.0431 13.5902 13.5902 15.0134 15.0134 15.6712 15.6712 k = 0.0000 0.5000 0.1212 ( 1562 PWs) bands (ev): -3.7343 -3.7343 -3.1723 -3.1723 1.7079 1.7079 1.7539 1.7539 5.2930 5.2930 5.3727 5.3727 7.3483 7.3483 7.6228 7.6228 13.0558 13.0558 13.5987 13.5987 14.9542 14.9542 15.5552 15.5552 k = 0.0000 0.5000 0.1313 ( 1568 PWs) bands (ev): -3.7195 -3.7195 -3.1539 -3.1539 1.6011 1.6011 1.6490 1.6490 5.4318 5.4318 5.5143 5.5143 7.3543 7.3543 7.6307 7.6307 13.0689 13.0689 13.6061 13.6061 14.8938 14.8938 15.4340 15.4340 k = 0.0000 0.5000 0.1414 ( 1564 PWs) bands (ev): -3.7038 -3.7038 -3.1345 -3.1345 1.4960 1.4960 1.5463 1.5463 5.5707 5.5707 5.6563 5.6563 7.3606 7.3606 7.6391 7.6391 13.0819 13.0819 13.6117 13.6117 14.8330 14.8330 15.3125 15.3125 k = 0.0000 0.5000 0.1515 ( 1568 PWs) bands (ev): -3.6874 -3.6874 -3.1140 -3.1140 1.3929 1.3929 1.4459 1.4459 5.7091 5.7091 5.7983 5.7983 7.3671 7.3671 7.6478 7.6478 13.0948 13.0948 13.6147 13.6147 14.7721 14.7721 15.1931 15.1931 k = 0.0000 0.5000 0.1616 ( 1568 PWs) bands (ev): -3.6705 -3.6705 -3.0927 -3.0927 1.2923 1.2923 1.3483 1.3483 5.8467 5.8467 5.9397 5.9397 7.3738 7.3738 7.6567 7.6567 13.1070 13.1070 13.6143 13.6143 14.7117 14.7117 15.0771 15.0771 k = 0.0000 0.5000 0.1717 ( 1568 PWs) bands (ev): -3.6530 -3.6530 -3.0707 -3.0707 1.1943 1.1943 1.2537 1.2537 5.9828 5.9828 6.0801 6.0801 7.3806 7.3806 7.6658 7.6658 13.1183 13.1183 13.6092 13.6092 14.6521 14.6521 14.9647 14.9647 k = 0.0000 0.5000 0.1818 ( 1568 PWs) bands (ev): -3.6351 -3.6351 -3.0480 -3.0480 1.0993 1.0993 1.1623 1.1623 6.1170 6.1170 6.2189 6.2189 7.3875 7.3875 7.6751 7.6751 13.1283 13.1283 13.5982 13.5982 14.5939 14.5939 14.8555 14.8555 k = 0.0000 0.5000 0.1919 ( 1572 PWs) bands (ev): -3.6170 -3.6170 -3.0248 -3.0248 1.0075 1.0075 1.0745 1.0745 6.2488 6.2488 6.3557 6.3557 7.3943 7.3943 7.6844 7.6844 13.1363 13.1363 13.5803 13.5803 14.5373 14.5373 14.7499 14.7499 k = 0.0000 0.5000 0.2020 ( 1572 PWs) bands (ev): -3.5988 -3.5988 -3.0014 -3.0014 0.9192 0.9192 0.9905 0.9905 6.3777 6.3777 6.4898 6.4898 7.4012 7.4012 7.6938 7.6938 13.1419 13.1419 13.5542 13.5542 14.4827 14.4827 14.6489 14.6489 k = 0.0000 0.5000 0.2122 ( 1576 PWs) bands (ev): -3.5806 -3.5806 -2.9778 -2.9778 0.8346 0.8346 0.9104 0.9104 6.5030 6.5030 6.6206 6.6206 7.4079 7.4079 7.7031 7.7031 13.1446 13.1446 13.5195 13.5195 14.4304 14.4304 14.5538 14.5538 k = 0.0000 0.5000 0.2223 ( 1568 PWs) bands (ev): -3.5626 -3.5626 -2.9543 -2.9543 0.7541 0.7541 0.8346 0.8346 6.6243 6.6243 6.7476 6.7476 7.4145 7.4145 7.7123 7.7123 13.1439 13.1439 13.4763 13.4763 14.3805 14.3805 14.4657 14.4657 k = 0.0000 0.5000 0.2324 ( 1568 PWs) bands (ev): -3.5450 -3.5450 -2.9311 -2.9311 0.6779 0.6779 0.7632 0.7632 6.7408 6.7408 6.8701 6.8701 7.4209 7.4209 7.7214 7.7214 13.1391 13.1391 13.4254 13.4254 14.3332 14.3332 14.3856 14.3856 k = 0.0000 0.5000 0.2425 ( 1570 PWs) bands (ev): -3.5279 -3.5279 -2.9084 -2.9084 0.6062 0.6062 0.6965 0.6965 6.8519 6.8519 6.9872 6.9872 7.4271 7.4271 7.7303 7.7303 13.1301 13.1301 13.3684 13.3684 14.2884 14.2884 14.3147 14.3147 k = 0.0000 0.5000 0.2526 ( 1564 PWs) bands (ev): -3.5115 -3.5115 -2.8864 -2.8864 0.5394 0.5394 0.6347 0.6347 6.9569 6.9569 7.0982 7.0982 7.4329 7.4329 7.7390 7.7390 13.1168 13.1168 13.3072 13.3072 14.2434 14.2434 14.2562 14.2562 k = 0.0000 0.5000 0.2627 ( 1568 PWs) bands (ev): -3.4960 -3.4960 -2.8655 -2.8655 0.4778 0.4778 0.5780 0.5780 7.0550 7.0550 7.2022 7.2022 7.4385 7.4385 7.7474 7.7474 13.0994 13.0994 13.2440 13.2440 14.1945 14.1945 14.2143 14.2143 k = 0.0000 0.5000 0.2728 ( 1568 PWs) bands (ev): -3.4815 -3.4815 -2.8458 -2.8458 0.4217 0.4217 0.5266 0.5266 7.1455 7.1455 7.2982 7.2982 7.4438 7.4438 7.7557 7.7557 13.0787 13.0787 13.1811 13.1811 14.1508 14.1508 14.1797 14.1797 k = 0.0000 0.5000 0.2829 ( 1570 PWs) bands (ev): -3.4683 -3.4683 -2.8276 -2.8276 0.3713 0.3713 0.4807 0.4807 7.2274 7.2274 7.3845 7.3845 7.4495 7.4495 7.7638 7.7638 13.0557 13.0557 13.1204 13.1204 14.1150 14.1150 14.1492 14.1492 k = 0.0000 0.5000 0.2930 ( 1570 PWs) bands (ev): -3.4564 -3.4564 -2.8112 -2.8112 0.3269 0.3269 0.4405 0.4405 7.3001 7.3001 7.4455 7.4455 7.4702 7.4702 7.7719 7.7719 13.0316 13.0316 13.0639 13.0639 14.0866 14.0866 14.1228 14.1228 k = 0.0000 0.5000 0.3031 ( 1570 PWs) bands (ev): -3.4461 -3.4461 -2.7968 -2.7968 0.2888 0.2888 0.4062 0.4062 7.3626 7.3626 7.4541 7.4541 7.5319 7.5319 7.7800 7.7800 13.0079 13.0079 13.0132 13.0132 14.0647 14.0647 14.1003 14.1003 k = 0.0000 0.5000 0.3132 ( 1570 PWs) bands (ev): -3.4375 -3.4375 -2.7847 -2.7847 0.2573 0.2573 0.3778 0.3778 7.4138 7.4138 7.4588 7.4588 7.5860 7.5860 7.7881 7.7881 12.9694 12.9694 12.9864 12.9864 14.0483 14.0483 14.0819 14.0819 k = 0.0000 0.5000 0.3233 ( 1562 PWs) bands (ev): -3.4306 -3.4306 -2.7751 -2.7751 0.2325 0.2325 0.3557 0.3557 7.4482 7.4482 7.4679 7.4679 7.6278 7.6278 7.7962 7.7962 12.9343 12.9343 12.9680 12.9680 14.0365 14.0365 14.0676 14.0676 k = 0.0000 0.5000 0.3334 ( 1556 PWs) bands (ev): -3.4256 -3.4256 -2.7681 -2.7681 0.2147 0.2147 0.3398 0.3398 7.4574 7.4574 7.4900 7.4900 7.6569 7.6569 7.8034 7.8034 12.9084 12.9084 12.9540 12.9540 14.0287 14.0287 14.0573 14.0573 k = 0.0000 0.5000 0.3435 ( 1556 PWs) bands (ev): -3.4226 -3.4226 -2.7638 -2.7638 0.2039 0.2039 0.3302 0.3302 7.4596 7.4596 7.5067 7.5067 7.6738 7.6738 7.8087 7.8087 12.8926 12.8926 12.9453 12.9453 14.0241 14.0241 14.0512 14.0512 k = 0.0000 0.5000 0.3536 ( 1556 PWs) bands (ev): -3.4216 -3.4216 -2.7624 -2.7624 0.2003 0.2003 0.3270 0.3270 7.4602 7.4602 7.5124 7.5124 7.6793 7.6793 7.8106 7.8106 12.8873 12.8873 12.9423 12.9423 14.0227 14.0227 14.0492 14.0492 k = 0.5000 0.5000-0.0000 ( 1580 PWs) bands (ev): -1.9151 -1.9151 -1.2983 -1.2983 0.6609 0.6609 0.7027 0.7027 5.1346 5.1346 5.1488 5.1488 5.2394 5.2394 5.3241 5.3241 10.7742 10.7742 10.7846 10.7846 10.9583 10.9583 10.9935 10.9935 k = 0.5000 0.5000 0.0101 ( 1580 PWs) bands (ev): -1.9146 -1.9146 -1.2978 -1.2978 0.6617 0.6617 0.7035 0.7035 5.1314 5.1314 5.1452 5.1452 5.2357 5.2357 5.3204 5.3204 10.7802 10.7802 10.7907 10.7907 10.9653 10.9653 10.9997 10.9997 k = 0.5000 0.5000 0.0202 ( 1576 PWs) bands (ev): -1.9134 -1.9134 -1.2965 -1.2965 0.6641 0.6641 0.7059 0.7059 5.1219 5.1219 5.1345 5.1345 5.2248 5.2248 5.3093 5.3093 10.7982 10.7982 10.8091 10.8091 10.9862 10.9862 11.0184 11.0184 k = 0.5000 0.5000 0.0303 ( 1576 PWs) bands (ev): -1.9113 -1.9113 -1.2943 -1.2943 0.6681 0.6681 0.7099 0.7099 5.1061 5.1061 5.1168 5.1168 5.2069 5.2069 5.2911 5.2911 10.8280 10.8280 10.8396 10.8396 11.0208 11.0208 11.0494 11.0494 k = 0.5000 0.5000 0.0404 ( 1568 PWs) bands (ev): -1.9083 -1.9083 -1.2912 -1.2912 0.6736 0.6736 0.7155 0.7155 5.0843 5.0843 5.0925 5.0925 5.1821 5.1821 5.2661 5.2661 10.8695 10.8695 10.8818 10.8818 11.0689 11.0689 11.0923 11.0923 k = 0.5000 0.5000 0.0505 ( 1568 PWs) bands (ev): -1.9046 -1.9046 -1.2872 -1.2872 0.6807 0.6807 0.7227 0.7227 5.0563 5.0563 5.0624 5.0624 5.1509 5.1509 5.2347 5.2347 10.9221 10.9221 10.9353 10.9353 11.1299 11.1299 11.1470 11.1470 k = 0.5000 0.5000 0.0606 ( 1560 PWs) bands (ev): -1.9001 -1.9001 -1.2824 -1.2824 0.6893 0.6893 0.7315 0.7315 5.0217 5.0217 5.0278 5.0278 5.1137 5.1137 5.1973 5.1973 10.9857 10.9857 10.9998 10.9998 11.2035 11.2035 11.2131 11.2131 k = 0.5000 0.5000 0.0707 ( 1560 PWs) bands (ev): -1.8948 -1.8948 -1.2768 -1.2768 0.6995 0.6995 0.7417 0.7417 4.9803 4.9803 4.9898 4.9898 5.0710 5.0710 5.1547 5.1547 11.0596 11.0596 11.0746 11.0746 11.2889 11.2889 11.2900 11.2900 k = 0.5000 0.5000 0.0808 ( 1552 PWs) bands (ev): -1.8888 -1.8888 -1.2705 -1.2705 0.7111 0.7111 0.7535 0.7535 4.9334 4.9334 4.9482 4.9482 5.0233 5.0233 5.1073 5.1073 11.1434 11.1434 11.1593 11.1593 11.3774 11.3774 11.3858 11.3858 k = 0.5000 0.5000 0.0909 ( 1552 PWs) bands (ev): -1.8821 -1.8821 -1.2634 -1.2634 0.7241 0.7241 0.7667 0.7667 4.8819 4.8819 4.9031 4.9031 4.9713 4.9713 5.0558 5.0558 11.2364 11.2364 11.2533 11.2533 11.4746 11.4746 11.4933 11.4933 k = 0.5000 0.5000 0.1010 ( 1552 PWs) bands (ev): -1.8748 -1.8748 -1.2556 -1.2556 0.7385 0.7385 0.7813 0.7813 4.8266 4.8266 4.8549 4.8549 4.9154 4.9154 5.0009 5.0009 11.3383 11.3383 11.3559 11.3559 11.5813 11.5813 11.6110 11.6110 k = 0.5000 0.5000 0.1111 ( 1548 PWs) bands (ev): -1.8668 -1.8668 -1.2472 -1.2472 0.7542 0.7542 0.7972 0.7972 4.7680 4.7680 4.8040 4.8040 4.8564 4.8564 4.9432 4.9432 11.4483 11.4483 11.4667 11.4667 11.6968 11.6968 11.7382 11.7382 k = 0.5000 0.5000 0.1212 ( 1532 PWs) bands (ev): -1.8584 -1.8584 -1.2382 -1.2382 0.7711 0.7711 0.8145 0.8145 4.7068 4.7068 4.7510 4.7510 4.7948 4.7948 4.8834 4.8834 11.5659 11.5659 11.5850 11.5850 11.8208 11.8208 11.8743 11.8743 k = 0.5000 0.5000 0.1313 ( 1532 PWs) bands (ev): -1.8494 -1.8494 -1.2287 -1.2287 0.7893 0.7893 0.8329 0.8329 4.6433 4.6433 4.6962 4.6962 4.7312 4.7312 4.8219 4.8219 11.6906 11.6906 11.7103 11.7103 11.9526 11.9526 12.0187 12.0187 k = 0.5000 0.5000 0.1414 ( 1532 PWs) bands (ev): -1.8401 -1.8401 -1.2188 -1.2188 0.8085 0.8085 0.8525 0.8525 4.5783 4.5783 4.6399 4.6399 4.6664 4.6664 4.7595 4.7595 11.8218 11.8218 11.8421 11.8421 12.0919 12.0919 12.1709 12.1709 k = 0.5000 0.5000 0.1515 ( 1540 PWs) bands (ev): -1.8304 -1.8304 -1.2084 -1.2084 0.8287 0.8287 0.8731 0.8731 4.5121 4.5121 4.5820 4.5820 4.6017 4.6017 4.6967 4.6967 11.9590 11.9590 11.9797 11.9797 12.2382 12.2382 12.3304 12.3304 k = 0.5000 0.5000 0.1616 ( 1544 PWs) bands (ev): -1.8204 -1.8204 -1.1978 -1.1978 0.8498 0.8498 0.8946 0.8946 4.4453 4.4453 4.5212 4.5212 4.5390 4.5390 4.6339 4.6339 12.1017 12.1017 12.1228 12.1228 12.3910 12.3910 12.4968 12.4968 k = 0.5000 0.5000 0.1717 ( 1544 PWs) bands (ev): -1.8102 -1.8102 -1.1869 -1.1869 0.8717 0.8717 0.9169 0.9169 4.3783 4.3783 4.4571 4.4571 4.4799 4.4799 4.5717 4.5717 12.2495 12.2495 12.2708 12.2708 12.5501 12.5501 12.6696 12.6696 k = 0.5000 0.5000 0.1818 ( 1544 PWs) bands (ev): -1.7999 -1.7999 -1.1759 -1.1759 0.8942 0.8942 0.9399 0.9399 4.3115 4.3115 4.3914 4.3914 4.4234 4.4234 4.5105 4.5105 12.4018 12.4018 12.4232 12.4232 12.7150 12.7150 12.8484 12.8484 k = 0.5000 0.5000 0.1919 ( 1552 PWs) bands (ev): -1.7895 -1.7895 -1.1648 -1.1648 0.9172 0.9172 0.9635 0.9635 4.2454 4.2454 4.3256 4.3256 4.3688 4.3688 4.4507 4.4507 12.5580 12.5580 12.5795 12.5795 12.8853 12.8853 13.0329 13.0329 k = 0.5000 0.5000 0.2020 ( 1552 PWs) bands (ev): -1.7792 -1.7792 -1.1537 -1.1537 0.9406 0.9406 0.9874 0.9874 4.1803 4.1803 4.2607 4.2607 4.3160 4.3160 4.3928 4.3928 12.7178 12.7178 12.7393 12.7393 13.0609 13.0609 13.2226 13.2226 k = 0.5000 0.5000 0.2122 ( 1552 PWs) bands (ev): -1.7690 -1.7690 -1.1428 -1.1428 0.9641 0.9641 1.0115 1.0115 4.1168 4.1168 4.1973 4.1973 4.2652 4.2652 4.3370 4.3370 12.8806 12.8806 12.9019 12.9019 13.2413 13.2413 13.4174 13.4174 k = 0.5000 0.5000 0.2223 ( 1544 PWs) bands (ev): -1.7590 -1.7590 -1.1321 -1.1321 0.9876 0.9876 1.0357 1.0357 4.0552 4.0552 4.1358 4.1358 4.2165 4.2165 4.2837 4.2837 13.0459 13.0459 13.0668 13.0668 13.4263 13.4263 13.6168 13.6168 k = 0.5000 0.5000 0.2324 ( 1536 PWs) bands (ev): -1.7493 -1.7493 -1.1217 -1.1217 1.0109 1.0109 1.0596 1.0596 3.9958 3.9958 4.0766 4.0766 4.1703 4.1703 4.2331 4.2331 13.2129 13.2129 13.2333 13.2333 13.6157 13.6157 13.8206 13.8206 k = 0.5000 0.5000 0.2425 ( 1536 PWs) bands (ev): -1.7400 -1.7400 -1.1117 -1.1117 1.0337 1.0337 1.0831 1.0831 3.9392 3.9392 4.0202 4.0202 4.1268 4.1268 4.1857 4.1857 13.3809 13.3809 13.4008 13.4008 13.8091 13.8091 14.0285 14.0285 k = 0.5000 0.5000 0.2526 ( 1536 PWs) bands (ev): -1.7312 -1.7312 -1.1021 -1.1021 1.0557 1.0557 1.1059 1.1059 3.8857 3.8857 3.9669 3.9669 4.0863 4.0863 4.1415 4.1415 13.5492 13.5492 13.5682 13.5682 14.0064 14.0064 14.2404 14.2404 k = 0.5000 0.5000 0.2627 ( 1536 PWs) bands (ev): -1.7229 -1.7229 -1.0932 -1.0932 1.0768 1.0768 1.1278 1.1278 3.8356 3.8356 3.9172 3.9172 4.0489 4.0489 4.1009 4.1009 13.7166 13.7166 13.7345 13.7345 14.2072 14.2072 14.4559 14.4559 k = 0.5000 0.5000 0.2728 ( 1544 PWs) bands (ev): -1.7153 -1.7153 -1.0850 -1.0850 1.0967 1.0967 1.1483 1.1483 3.7895 3.7895 3.8715 3.8715 4.0149 4.0149 4.0640 4.0640 13.8817 13.8817 13.8984 13.8984 14.4115 14.4115 14.6748 14.6748 k = 0.5000 0.5000 0.2829 ( 1544 PWs) bands (ev): -1.7083 -1.7083 -1.0775 -1.0775 1.1151 1.1151 1.1674 1.1674 3.7477 3.7477 3.8301 3.8301 3.9844 3.9844 4.0310 4.0310 14.0430 14.0430 14.0581 14.0581 14.6190 14.6190 14.8968 14.8968 k = 0.5000 0.5000 0.2930 ( 1536 PWs) bands (ev): -1.7022 -1.7022 -1.0708 -1.0708 1.1317 1.1317 1.1847 1.1847 3.7105 3.7105 3.7933 3.7933 3.9577 3.9577 4.0021 4.0021 14.1980 14.1980 14.2112 14.2112 14.8294 14.8294 15.1218 15.1218 k = 0.5000 0.5000 0.3031 ( 1528 PWs) bands (ev): -1.6968 -1.6968 -1.0650 -1.0650 1.1463 1.1463 1.1999 1.1999 3.6783 3.6783 3.7616 3.7616 3.9348 3.9348 3.9775 3.9775 14.3438 14.3438 14.3548 14.3548 15.0426 15.0426 15.3495 15.3495 k = 0.5000 0.5000 0.3132 ( 1544 PWs) bands (ev): -1.6924 -1.6924 -1.0602 -1.0602 1.1586 1.1586 1.2128 1.2128 3.6515 3.6515 3.7351 3.7351 3.9159 3.9159 3.9571 3.9571 14.4761 14.4761 14.4847 14.4847 15.2581 15.2581 15.5795 15.5795 k = 0.5000 0.5000 0.3233 ( 1544 PWs) bands (ev): -1.6889 -1.6889 -1.0564 -1.0564 1.1684 1.1684 1.2230 1.2230 3.6303 3.6303 3.7143 3.7143 3.9011 3.9011 3.9412 3.9412 14.5899 14.5899 14.5959 14.5959 15.4756 15.4756 15.8112 15.8112 k = 0.5000 0.5000 0.3334 ( 1544 PWs) bands (ev): -1.6864 -1.6864 -1.0537 -1.0537 1.1756 1.1756 1.2305 1.2305 3.6150 3.6150 3.6992 3.6992 3.8905 3.8905 3.9297 3.9297 14.6786 14.6786 14.6823 14.6823 15.6943 15.6943 16.0438 16.0438 k = 0.5000 0.5000 0.3435 ( 1544 PWs) bands (ev): -1.6848 -1.6848 -1.0520 -1.0520 1.1799 1.1799 1.2351 1.2351 3.6058 3.6058 3.6901 3.6901 3.8841 3.8841 3.9228 3.9228 14.7356 14.7356 14.7374 14.7374 15.9106 15.9106 16.2729 16.2729 k = 0.5000 0.5000 0.3536 ( 1544 PWs) bands (ev): -1.6843 -1.6843 -1.0515 -1.0515 1.1814 1.1814 1.2366 1.2366 3.6027 3.6027 3.6870 3.6870 3.8819 3.8819 3.9205 3.9205 14.7553 14.7553 14.7564 14.7564 16.0692 16.0692 16.2291 16.2291 Writing output data file B2AsP.save init_run : 3.77s CPU 19.39s WALL ( 1 calls) electrons : 162.75s CPU 167.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.19s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 162.69s CPU 167.36s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.87s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.59s WALL ( 1 calls) newd : 0.20s CPU 0.37s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 448 calls) cegterg : 133.94s CPU 135.12s WALL ( 719 calls) Called by sum_band: Called by *egterg: h_psi : 71.70s CPU 76.63s WALL ( 11174 calls) s_psi : 4.97s CPU 5.91s WALL ( 11174 calls) g_psi : 0.07s CPU 0.18s WALL ( 10007 calls) cdiaghg : 39.33s CPU 38.32s WALL ( 10455 calls) cegterg:over : 12.74s CPU 10.21s WALL ( 10007 calls) cegterg:upda : 0.41s CPU 1.54s WALL ( 10007 calls) cegterg:last : 0.50s CPU 1.22s WALL ( 2323 calls) Called by h_psi: h_psi:vloc : 56.83s CPU 61.73s WALL ( 11174 calls) h_psi:vnl : 14.83s CPU 14.76s WALL ( 11174 calls) add_vuspsi : 1.95s CPU 4.30s WALL ( 11174 calls) General routines calbec : 12.87s CPU 10.20s WALL ( 11174 calls) fft : 0.15s CPU 0.94s WALL ( 19 calls) ffts : 0.00s CPU 0.03s WALL ( 4 calls) fftw : 54.40s CPU 58.74s WALL ( 663976 calls) interpolate : 0.06s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 1.99s WALL ( 896 calls) Parallel routines fft_scatter : 42.08s CPU 44.64s WALL ( 663999 calls) PWSCF : 3m22.79s CPU 4m29.09s WALL This run was terminated on: 23:41:14 7Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=