Program PWSCF v.5.1.1 starts on 7Oct2015 at 23:56:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BC2N.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 12 6 2 324 122 24 Max 13 7 3 333 135 31 Sum 593 325 109 15735 6225 1213 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 4.7891 a.u. unit-cell volume = 157.5025 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.789077 celldm(2)= 1.000000 celldm(3)= 1.433943 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 1.433943 ) 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 0.697378 ) PseudoPot. # 1 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 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= 565 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017699 k( 2) = ( 0.0000000 0.0080645 -0.0000000), wk = 0.0017699 k( 3) = ( 0.0000000 0.0161290 -0.0000000), wk = 0.0017699 k( 4) = ( 0.0000000 0.0241936 -0.0000000), wk = 0.0017699 k( 5) = ( 0.0000000 0.0322581 -0.0000000), wk = 0.0017699 k( 6) = ( 0.0000000 0.0403226 -0.0000000), wk = 0.0017699 k( 7) = ( 0.0000000 0.0483871 -0.0000000), wk = 0.0017699 k( 8) = ( 0.0000000 0.0564516 -0.0000000), wk = 0.0017699 k( 9) = ( 0.0000000 0.0645161 -0.0000000), wk = 0.0017699 k( 10) = ( 0.0000000 0.0725806 -0.0000000), wk = 0.0017699 k( 11) = ( 0.0000000 0.0806452 -0.0000000), wk = 0.0017699 k( 12) = ( 0.0000000 0.0887097 -0.0000000), wk = 0.0017699 k( 13) = ( 0.0000000 0.0967742 -0.0000000), wk = 0.0017699 k( 14) = ( 0.0000000 0.1048387 -0.0000000), wk = 0.0017699 k( 15) = ( 0.0000000 0.1129032 -0.0000000), wk = 0.0017699 k( 16) = ( 0.0000000 0.1209677 -0.0000000), wk = 0.0017699 k( 17) = ( 0.0000000 0.1290323 -0.0000000), wk = 0.0017699 k( 18) = ( 0.0000000 0.1370968 -0.0000000), wk = 0.0017699 k( 19) = ( 0.0000000 0.1451613 -0.0000000), wk = 0.0017699 k( 20) = ( 0.0000000 0.1532258 -0.0000000), wk = 0.0017699 k( 21) = ( 0.0000000 0.1612903 -0.0000000), wk = 0.0017699 k( 22) = ( 0.0000000 0.1693548 -0.0000000), wk = 0.0017699 k( 23) = ( 0.0000000 0.1774194 -0.0000000), wk = 0.0017699 k( 24) = ( 0.0000000 0.1854839 -0.0000000), wk = 0.0017699 k( 25) = ( 0.0000000 0.1935484 -0.0000000), wk = 0.0017699 k( 26) = ( 0.0000000 0.2016129 -0.0000000), wk = 0.0017699 k( 27) = ( 0.0000000 0.2096774 -0.0000000), wk = 0.0017699 k( 28) = ( 0.0000000 0.2177419 -0.0000000), wk = 0.0017699 k( 29) = ( 0.0000000 0.2258064 -0.0000000), wk = 0.0017699 k( 30) = ( 0.0000000 0.2338710 -0.0000000), wk = 0.0017699 k( 31) = ( 0.0000000 0.2419355 -0.0000000), wk = 0.0017699 k( 32) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0017699 k( 33) = ( 0.0000000 0.2580645 -0.0000000), wk = 0.0017699 k( 34) = ( 0.0000000 0.2661290 -0.0000000), wk = 0.0017699 k( 35) = ( 0.0000000 0.2741936 -0.0000000), wk = 0.0017699 k( 36) = ( 0.0000000 0.2822581 -0.0000000), wk = 0.0017699 k( 37) = ( 0.0000000 0.2903226 -0.0000000), wk = 0.0017699 k( 38) = ( 0.0000000 0.2983871 -0.0000000), wk = 0.0017699 k( 39) = ( 0.0000000 0.3064516 -0.0000000), wk = 0.0017699 k( 40) = ( 0.0000000 0.3145161 -0.0000000), wk = 0.0017699 k( 41) = ( 0.0000000 0.3225807 -0.0000000), wk = 0.0017699 k( 42) = ( 0.0000000 0.3306452 -0.0000000), wk = 0.0017699 k( 43) = ( 0.0000000 0.3387097 -0.0000000), wk = 0.0017699 k( 44) = ( 0.0000000 0.3467742 -0.0000000), wk = 0.0017699 k( 45) = ( 0.0000000 0.3548387 -0.0000000), wk = 0.0017699 k( 46) = ( 0.0000000 0.3629032 -0.0000000), wk = 0.0017699 k( 47) = ( 0.0000000 0.3709677 -0.0000000), wk = 0.0017699 k( 48) = ( 0.0000000 0.3790323 -0.0000000), wk = 0.0017699 k( 49) = ( 0.0000000 0.3870968 -0.0000000), wk = 0.0017699 k( 50) = ( 0.0000000 0.3951613 -0.0000000), wk = 0.0017699 k( 51) = ( 0.0000000 0.4032258 -0.0000000), wk = 0.0017699 k( 52) = ( 0.0000000 0.4112903 -0.0000000), wk = 0.0017699 k( 53) = ( 0.0000000 0.4193548 -0.0000000), wk = 0.0017699 k( 54) = ( 0.0000000 0.4274193 -0.0000000), wk = 0.0017699 k( 55) = ( 0.0000000 0.4354839 -0.0000000), wk = 0.0017699 k( 56) = ( 0.0000000 0.4435484 -0.0000000), wk = 0.0017699 k( 57) = ( 0.0000000 0.4516129 -0.0000000), wk = 0.0017699 k( 58) = ( 0.0000000 0.4596774 -0.0000000), wk = 0.0017699 k( 59) = ( 0.0000000 0.4677419 -0.0000000), wk = 0.0017699 k( 60) = ( 0.0000000 0.4758064 -0.0000000), wk = 0.0017699 k( 61) = ( 0.0000000 0.4838710 -0.0000000), wk = 0.0017699 k( 62) = ( 0.0000000 0.4919355 -0.0000000), wk = 0.0017699 k( 63) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0017699 k( 64) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0017699 k( 65) = ( 0.0080645 0.5000000 -0.0000000), wk = 0.0017699 k( 66) = ( 0.0161290 0.5000000 -0.0000000), wk = 0.0017699 k( 67) = ( 0.0241936 0.5000000 -0.0000000), wk = 0.0017699 k( 68) = ( 0.0322581 0.5000000 -0.0000000), wk = 0.0017699 k( 69) = ( 0.0403226 0.5000000 -0.0000000), wk = 0.0017699 k( 70) = ( 0.0483871 0.5000000 -0.0000000), wk = 0.0017699 k( 71) = ( 0.0564516 0.5000000 -0.0000000), wk = 0.0017699 k( 72) = ( 0.0645161 0.5000000 -0.0000000), wk = 0.0017699 k( 73) = ( 0.0725806 0.5000000 -0.0000000), wk = 0.0017699 k( 74) = ( 0.0806452 0.5000000 -0.0000000), wk = 0.0017699 k( 75) = ( 0.0887097 0.5000000 -0.0000000), wk = 0.0017699 k( 76) = ( 0.0967742 0.5000000 -0.0000000), wk = 0.0017699 k( 77) = ( 0.1048387 0.5000000 -0.0000000), wk = 0.0017699 k( 78) = ( 0.1129032 0.5000000 -0.0000000), wk = 0.0017699 k( 79) = ( 0.1209677 0.5000000 -0.0000000), wk = 0.0017699 k( 80) = ( 0.1290323 0.5000000 -0.0000000), wk = 0.0017699 k( 81) = ( 0.1370968 0.5000000 -0.0000000), wk = 0.0017699 k( 82) = ( 0.1451613 0.5000000 -0.0000000), wk = 0.0017699 k( 83) = ( 0.1532258 0.5000000 -0.0000000), wk = 0.0017699 k( 84) = ( 0.1612903 0.5000000 -0.0000000), wk = 0.0017699 k( 85) = ( 0.1693548 0.5000000 -0.0000000), wk = 0.0017699 k( 86) = ( 0.1774194 0.5000000 -0.0000000), wk = 0.0017699 k( 87) = ( 0.1854839 0.5000000 -0.0000000), wk = 0.0017699 k( 88) = ( 0.1935484 0.5000000 -0.0000000), wk = 0.0017699 k( 89) = ( 0.2016129 0.5000000 -0.0000000), wk = 0.0017699 k( 90) = ( 0.2096774 0.5000000 -0.0000000), wk = 0.0017699 k( 91) = ( 0.2177419 0.5000000 -0.0000000), wk = 0.0017699 k( 92) = ( 0.2258064 0.5000000 -0.0000000), wk = 0.0017699 k( 93) = ( 0.2338710 0.5000000 -0.0000000), wk = 0.0017699 k( 94) = ( 0.2419355 0.5000000 -0.0000000), wk = 0.0017699 k( 95) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0017699 k( 96) = ( 0.2580645 0.5000000 -0.0000000), wk = 0.0017699 k( 97) = ( 0.2661290 0.5000000 -0.0000000), wk = 0.0017699 k( 98) = ( 0.2741936 0.5000000 -0.0000000), wk = 0.0017699 k( 99) = ( 0.2822581 0.5000000 -0.0000000), wk = 0.0017699 k( 100) = ( 0.2903226 0.5000000 -0.0000000), wk = 0.0017699 k( 101) = ( 0.2983871 0.5000000 -0.0000000), wk = 0.0017699 k( 102) = ( 0.3064516 0.5000000 -0.0000000), wk = 0.0017699 k( 103) = ( 0.3145161 0.5000000 -0.0000000), wk = 0.0017699 k( 104) = ( 0.3225807 0.5000000 -0.0000000), wk = 0.0017699 k( 105) = ( 0.3306452 0.5000000 -0.0000000), wk = 0.0017699 k( 106) = ( 0.3387097 0.5000000 -0.0000000), wk = 0.0017699 k( 107) = ( 0.3467742 0.5000000 -0.0000000), wk = 0.0017699 k( 108) = ( 0.3548387 0.5000000 -0.0000000), wk = 0.0017699 k( 109) = ( 0.3629032 0.5000000 -0.0000000), wk = 0.0017699 k( 110) = ( 0.3709677 0.5000000 -0.0000000), wk = 0.0017699 k( 111) = ( 0.3790323 0.5000000 -0.0000000), wk = 0.0017699 k( 112) = ( 0.3870968 0.5000000 -0.0000000), wk = 0.0017699 k( 113) = ( 0.3951613 0.5000000 -0.0000000), wk = 0.0017699 k( 114) = ( 0.4032258 0.5000000 -0.0000000), wk = 0.0017699 k( 115) = ( 0.4112903 0.5000000 -0.0000000), wk = 0.0017699 k( 116) = ( 0.4193548 0.5000000 -0.0000000), wk = 0.0017699 k( 117) = ( 0.4274193 0.5000000 -0.0000000), wk = 0.0017699 k( 118) = ( 0.4354839 0.5000000 -0.0000000), wk = 0.0017699 k( 119) = ( 0.4435484 0.5000000 -0.0000000), wk = 0.0017699 k( 120) = ( 0.4516129 0.5000000 -0.0000000), wk = 0.0017699 k( 121) = ( 0.4596774 0.5000000 -0.0000000), wk = 0.0017699 k( 122) = ( 0.4677419 0.5000000 -0.0000000), wk = 0.0017699 k( 123) = ( 0.4758064 0.5000000 -0.0000000), wk = 0.0017699 k( 124) = ( 0.4838710 0.5000000 -0.0000000), wk = 0.0017699 k( 125) = ( 0.4919355 0.5000000 -0.0000000), wk = 0.0017699 k( 126) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0017699 k( 127) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0017699 k( 128) = ( 0.4943182 0.4943182 -0.0000000), wk = 0.0017699 k( 129) = ( 0.4886364 0.4886364 -0.0000000), wk = 0.0017699 k( 130) = ( 0.4829545 0.4829545 -0.0000000), wk = 0.0017699 k( 131) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0017699 k( 132) = ( 0.4715909 0.4715909 -0.0000000), wk = 0.0017699 k( 133) = ( 0.4659091 0.4659091 -0.0000000), wk = 0.0017699 k( 134) = ( 0.4602273 0.4602273 -0.0000000), wk = 0.0017699 k( 135) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0017699 k( 136) = ( 0.4488636 0.4488636 -0.0000000), wk = 0.0017699 k( 137) = ( 0.4431818 0.4431818 -0.0000000), wk = 0.0017699 k( 138) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0017699 k( 139) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0017699 k( 140) = ( 0.4261364 0.4261364 -0.0000000), wk = 0.0017699 k( 141) = ( 0.4204545 0.4204545 -0.0000000), wk = 0.0017699 k( 142) = ( 0.4147727 0.4147727 -0.0000000), wk = 0.0017699 k( 143) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0017699 k( 144) = ( 0.4034091 0.4034091 -0.0000000), wk = 0.0017699 k( 145) = ( 0.3977273 0.3977273 -0.0000000), wk = 0.0017699 k( 146) = ( 0.3920455 0.3920454 -0.0000000), wk = 0.0017699 k( 147) = ( 0.3863636 0.3863636 -0.0000000), wk = 0.0017699 k( 148) = ( 0.3806818 0.3806818 -0.0000000), wk = 0.0017699 k( 149) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0017699 k( 150) = ( 0.3693182 0.3693182 -0.0000000), wk = 0.0017699 k( 151) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0017699 k( 152) = ( 0.3579545 0.3579545 -0.0000000), wk = 0.0017699 k( 153) = ( 0.3522727 0.3522727 -0.0000000), wk = 0.0017699 k( 154) = ( 0.3465909 0.3465909 -0.0000000), wk = 0.0017699 k( 155) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0017699 k( 156) = ( 0.3352273 0.3352273 -0.0000000), wk = 0.0017699 k( 157) = ( 0.3295455 0.3295454 -0.0000000), wk = 0.0017699 k( 158) = ( 0.3238636 0.3238636 -0.0000000), wk = 0.0017699 k( 159) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0017699 k( 160) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0017699 k( 161) = ( 0.3068182 0.3068182 -0.0000000), wk = 0.0017699 k( 162) = ( 0.3011364 0.3011364 -0.0000000), wk = 0.0017699 k( 163) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0017699 k( 164) = ( 0.2897727 0.2897727 -0.0000000), wk = 0.0017699 k( 165) = ( 0.2840909 0.2840909 -0.0000000), wk = 0.0017699 k( 166) = ( 0.2784091 0.2784091 -0.0000000), wk = 0.0017699 k( 167) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0017699 k( 168) = ( 0.2670455 0.2670455 -0.0000000), wk = 0.0017699 k( 169) = ( 0.2613636 0.2613636 -0.0000000), wk = 0.0017699 k( 170) = ( 0.2556818 0.2556818 -0.0000000), wk = 0.0017699 k( 171) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0017699 k( 172) = ( 0.2443182 0.2443182 -0.0000000), wk = 0.0017699 k( 173) = ( 0.2386364 0.2386364 -0.0000000), wk = 0.0017699 k( 174) = ( 0.2329546 0.2329545 -0.0000000), wk = 0.0017699 k( 175) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0017699 k( 176) = ( 0.2215909 0.2215909 -0.0000000), wk = 0.0017699 k( 177) = ( 0.2159091 0.2159091 -0.0000000), wk = 0.0017699 k( 178) = ( 0.2102273 0.2102273 -0.0000000), wk = 0.0017699 k( 179) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0017699 k( 180) = ( 0.1988636 0.1988636 -0.0000000), wk = 0.0017699 k( 181) = ( 0.1931818 0.1931818 -0.0000000), wk = 0.0017699 k( 182) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0017699 k( 183) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0017699 k( 184) = ( 0.1761364 0.1761364 -0.0000000), wk = 0.0017699 k( 185) = ( 0.1704546 0.1704545 -0.0000000), wk = 0.0017699 k( 186) = ( 0.1647727 0.1647727 -0.0000000), wk = 0.0017699 k( 187) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0017699 k( 188) = ( 0.1534091 0.1534091 -0.0000000), wk = 0.0017699 k( 189) = ( 0.1477273 0.1477273 -0.0000000), wk = 0.0017699 k( 190) = ( 0.1420454 0.1420454 -0.0000000), wk = 0.0017699 k( 191) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0017699 k( 192) = ( 0.1306818 0.1306818 -0.0000000), wk = 0.0017699 k( 193) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0017699 k( 194) = ( 0.1193182 0.1193182 -0.0000000), wk = 0.0017699 k( 195) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0017699 k( 196) = ( 0.1079545 0.1079545 -0.0000000), wk = 0.0017699 k( 197) = ( 0.1022727 0.1022727 -0.0000000), wk = 0.0017699 k( 198) = ( 0.0965909 0.0965909 -0.0000000), wk = 0.0017699 k( 199) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0017699 k( 200) = ( 0.0852273 0.0852273 -0.0000000), wk = 0.0017699 k( 201) = ( 0.0795455 0.0795454 -0.0000000), wk = 0.0017699 k( 202) = ( 0.0738636 0.0738636 -0.0000000), wk = 0.0017699 k( 203) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0017699 k( 204) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0017699 k( 205) = ( 0.0568182 0.0568182 -0.0000000), wk = 0.0017699 k( 206) = ( 0.0511364 0.0511364 -0.0000000), wk = 0.0017699 k( 207) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0017699 k( 208) = ( 0.0397727 0.0397727 -0.0000000), wk = 0.0017699 k( 209) = ( 0.0340909 0.0340909 -0.0000000), wk = 0.0017699 k( 210) = ( 0.0284091 0.0284091 -0.0000000), wk = 0.0017699 k( 211) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0017699 k( 212) = ( 0.0170455 0.0170455 -0.0000000), wk = 0.0017699 k( 213) = ( 0.0113636 0.0113636 -0.0000000), wk = 0.0017699 k( 214) = ( 0.0056818 0.0056818 -0.0000000), wk = 0.0017699 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017699 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017699 k( 217) = ( 0.0000000 0.0000000 0.0079247), wk = 0.0017699 k( 218) = ( 0.0000000 0.0000000 0.0158495), wk = 0.0017699 k( 219) = ( 0.0000000 0.0000000 0.0237742), wk = 0.0017699 k( 220) = ( 0.0000000 0.0000000 0.0316990), wk = 0.0017699 k( 221) = ( 0.0000000 0.0000000 0.0396237), wk = 0.0017699 k( 222) = ( 0.0000000 0.0000000 0.0475485), wk = 0.0017699 k( 223) = ( 0.0000000 0.0000000 0.0554732), wk = 0.0017699 k( 224) = ( 0.0000000 0.0000000 0.0633980), wk = 0.0017699 k( 225) = ( 0.0000000 0.0000000 0.0713227), wk = 0.0017699 k( 226) = ( 0.0000000 0.0000000 0.0792475), wk = 0.0017699 k( 227) = ( 0.0000000 0.0000000 0.0871722), wk = 0.0017699 k( 228) = ( 0.0000000 0.0000000 0.0950970), wk = 0.0017699 k( 229) = ( 0.0000000 0.0000000 0.1030217), wk = 0.0017699 k( 230) = ( 0.0000000 0.0000000 0.1109465), wk = 0.0017699 k( 231) = ( 0.0000000 0.0000000 0.1188712), wk = 0.0017699 k( 232) = ( 0.0000000 0.0000000 0.1267960), wk = 0.0017699 k( 233) = ( 0.0000000 0.0000000 0.1347207), wk = 0.0017699 k( 234) = ( 0.0000000 0.0000000 0.1426454), wk = 0.0017699 k( 235) = ( 0.0000000 0.0000000 0.1505702), wk = 0.0017699 k( 236) = ( 0.0000000 0.0000000 0.1584949), wk = 0.0017699 k( 237) = ( 0.0000000 0.0000000 0.1664197), wk = 0.0017699 k( 238) = ( 0.0000000 0.0000000 0.1743444), wk = 0.0017699 k( 239) = ( 0.0000000 0.0000000 0.1822692), wk = 0.0017699 k( 240) = ( 0.0000000 0.0000000 0.1901939), wk = 0.0017699 k( 241) = ( 0.0000000 0.0000000 0.1981187), wk = 0.0017699 k( 242) = ( 0.0000000 0.0000000 0.2060434), wk = 0.0017699 k( 243) = ( 0.0000000 0.0000000 0.2139682), wk = 0.0017699 k( 244) = ( 0.0000000 0.0000000 0.2218929), wk = 0.0017699 k( 245) = ( 0.0000000 0.0000000 0.2298177), wk = 0.0017699 k( 246) = ( 0.0000000 0.0000000 0.2377424), wk = 0.0017699 k( 247) = ( 0.0000000 0.0000000 0.2456672), wk = 0.0017699 k( 248) = ( 0.0000000 0.0000000 0.2535919), wk = 0.0017699 k( 249) = ( 0.0000000 0.0000000 0.2615167), wk = 0.0017699 k( 250) = ( 0.0000000 0.0000000 0.2694414), wk = 0.0017699 k( 251) = ( 0.0000000 0.0000000 0.2773661), wk = 0.0017699 k( 252) = ( 0.0000000 0.0000000 0.2852909), wk = 0.0017699 k( 253) = ( 0.0000000 0.0000000 0.2932156), wk = 0.0017699 k( 254) = ( 0.0000000 0.0000000 0.3011404), wk = 0.0017699 k( 255) = ( 0.0000000 0.0000000 0.3090651), wk = 0.0017699 k( 256) = ( 0.0000000 0.0000000 0.3169899), wk = 0.0017699 k( 257) = ( 0.0000000 0.0000000 0.3249146), wk = 0.0017699 k( 258) = ( 0.0000000 0.0000000 0.3328394), wk = 0.0017699 k( 259) = ( 0.0000000 0.0000000 0.3407641), wk = 0.0017699 k( 260) = ( 0.0000000 0.0000000 0.3486889), wk = 0.0017699 k( 261) = ( 0.0000000 0.0000000 0.3486889), wk = 0.0017699 k( 262) = ( 0.0000000 0.0080645 0.3486889), wk = 0.0017699 k( 263) = ( 0.0000000 0.0161290 0.3486889), wk = 0.0017699 k( 264) = ( 0.0000000 0.0241936 0.3486889), wk = 0.0017699 k( 265) = ( 0.0000000 0.0322581 0.3486889), wk = 0.0017699 k( 266) = ( 0.0000000 0.0403226 0.3486889), wk = 0.0017699 k( 267) = ( 0.0000000 0.0483871 0.3486889), wk = 0.0017699 k( 268) = ( 0.0000000 0.0564516 0.3486889), wk = 0.0017699 k( 269) = ( 0.0000000 0.0645161 0.3486889), wk = 0.0017699 k( 270) = ( 0.0000000 0.0725806 0.3486889), wk = 0.0017699 k( 271) = ( 0.0000000 0.0806452 0.3486889), wk = 0.0017699 k( 272) = ( 0.0000000 0.0887097 0.3486889), wk = 0.0017699 k( 273) = ( 0.0000000 0.0967742 0.3486889), wk = 0.0017699 k( 274) = ( 0.0000000 0.1048387 0.3486889), wk = 0.0017699 k( 275) = ( 0.0000000 0.1129032 0.3486889), wk = 0.0017699 k( 276) = ( 0.0000000 0.1209677 0.3486889), wk = 0.0017699 k( 277) = ( 0.0000000 0.1290323 0.3486889), wk = 0.0017699 k( 278) = ( 0.0000000 0.1370968 0.3486889), wk = 0.0017699 k( 279) = ( 0.0000000 0.1451613 0.3486889), wk = 0.0017699 k( 280) = ( 0.0000000 0.1532258 0.3486889), wk = 0.0017699 k( 281) = ( 0.0000000 0.1612903 0.3486889), wk = 0.0017699 k( 282) = ( 0.0000000 0.1693548 0.3486889), wk = 0.0017699 k( 283) = ( 0.0000000 0.1774194 0.3486889), wk = 0.0017699 k( 284) = ( 0.0000000 0.1854839 0.3486889), wk = 0.0017699 k( 285) = ( 0.0000000 0.1935484 0.3486889), wk = 0.0017699 k( 286) = ( 0.0000000 0.2016129 0.3486889), wk = 0.0017699 k( 287) = ( 0.0000000 0.2096774 0.3486889), wk = 0.0017699 k( 288) = ( 0.0000000 0.2177419 0.3486889), wk = 0.0017699 k( 289) = ( 0.0000000 0.2258064 0.3486889), wk = 0.0017699 k( 290) = ( 0.0000000 0.2338710 0.3486889), wk = 0.0017699 k( 291) = ( 0.0000000 0.2419355 0.3486889), wk = 0.0017699 k( 292) = ( 0.0000000 0.2500000 0.3486889), wk = 0.0017699 k( 293) = ( 0.0000000 0.2580645 0.3486889), wk = 0.0017699 k( 294) = ( 0.0000000 0.2661290 0.3486889), wk = 0.0017699 k( 295) = ( 0.0000000 0.2741936 0.3486889), wk = 0.0017699 k( 296) = ( 0.0000000 0.2822581 0.3486889), wk = 0.0017699 k( 297) = ( 0.0000000 0.2903226 0.3486889), wk = 0.0017699 k( 298) = ( 0.0000000 0.2983871 0.3486889), wk = 0.0017699 k( 299) = ( 0.0000000 0.3064516 0.3486889), wk = 0.0017699 k( 300) = ( 0.0000000 0.3145161 0.3486889), wk = 0.0017699 k( 301) = ( 0.0000000 0.3225807 0.3486889), wk = 0.0017699 k( 302) = ( 0.0000000 0.3306452 0.3486889), wk = 0.0017699 k( 303) = ( 0.0000000 0.3387097 0.3486889), wk = 0.0017699 k( 304) = ( 0.0000000 0.3467742 0.3486889), wk = 0.0017699 k( 305) = ( 0.0000000 0.3548387 0.3486889), wk = 0.0017699 k( 306) = ( 0.0000000 0.3629032 0.3486889), wk = 0.0017699 k( 307) = ( 0.0000000 0.3709677 0.3486889), wk = 0.0017699 k( 308) = ( 0.0000000 0.3790323 0.3486889), wk = 0.0017699 k( 309) = ( 0.0000000 0.3870968 0.3486889), wk = 0.0017699 k( 310) = ( 0.0000000 0.3951613 0.3486889), wk = 0.0017699 k( 311) = ( 0.0000000 0.4032258 0.3486889), wk = 0.0017699 k( 312) = ( 0.0000000 0.4112903 0.3486889), wk = 0.0017699 k( 313) = ( 0.0000000 0.4193548 0.3486889), wk = 0.0017699 k( 314) = ( 0.0000000 0.4274193 0.3486889), wk = 0.0017699 k( 315) = ( 0.0000000 0.4354839 0.3486889), wk = 0.0017699 k( 316) = ( 0.0000000 0.4435484 0.3486889), wk = 0.0017699 k( 317) = ( 0.0000000 0.4516129 0.3486889), wk = 0.0017699 k( 318) = ( 0.0000000 0.4596774 0.3486889), wk = 0.0017699 k( 319) = ( 0.0000000 0.4677419 0.3486889), wk = 0.0017699 k( 320) = ( 0.0000000 0.4758064 0.3486889), wk = 0.0017699 k( 321) = ( 0.0000000 0.4838710 0.3486889), wk = 0.0017699 k( 322) = ( 0.0000000 0.4919355 0.3486889), wk = 0.0017699 k( 323) = ( 0.0000000 0.5000000 0.3486889), wk = 0.0017699 k( 324) = ( 0.0000000 0.5000000 0.3486889), wk = 0.0017699 k( 325) = ( 0.0080645 0.5000000 0.3486889), wk = 0.0017699 k( 326) = ( 0.0161290 0.5000000 0.3486889), wk = 0.0017699 k( 327) = ( 0.0241936 0.5000000 0.3486889), wk = 0.0017699 k( 328) = ( 0.0322581 0.5000000 0.3486889), wk = 0.0017699 k( 329) = ( 0.0403226 0.5000000 0.3486889), wk = 0.0017699 k( 330) = ( 0.0483871 0.5000000 0.3486889), wk = 0.0017699 k( 331) = ( 0.0564516 0.5000000 0.3486889), wk = 0.0017699 k( 332) = ( 0.0645161 0.5000000 0.3486889), wk = 0.0017699 k( 333) = ( 0.0725806 0.5000000 0.3486889), wk = 0.0017699 k( 334) = ( 0.0806452 0.5000000 0.3486889), wk = 0.0017699 k( 335) = ( 0.0887097 0.5000000 0.3486889), wk = 0.0017699 k( 336) = ( 0.0967742 0.5000000 0.3486889), wk = 0.0017699 k( 337) = ( 0.1048387 0.5000000 0.3486889), wk = 0.0017699 k( 338) = ( 0.1129032 0.5000000 0.3486889), wk = 0.0017699 k( 339) = ( 0.1209677 0.5000000 0.3486889), wk = 0.0017699 k( 340) = ( 0.1290323 0.5000000 0.3486889), wk = 0.0017699 k( 341) = ( 0.1370968 0.5000000 0.3486889), wk = 0.0017699 k( 342) = ( 0.1451613 0.5000000 0.3486889), wk = 0.0017699 k( 343) = ( 0.1532258 0.5000000 0.3486889), wk = 0.0017699 k( 344) = ( 0.1612903 0.5000000 0.3486889), wk = 0.0017699 k( 345) = ( 0.1693548 0.5000000 0.3486889), wk = 0.0017699 k( 346) = ( 0.1774194 0.5000000 0.3486889), wk = 0.0017699 k( 347) = ( 0.1854839 0.5000000 0.3486889), wk = 0.0017699 k( 348) = ( 0.1935484 0.5000000 0.3486889), wk = 0.0017699 k( 349) = ( 0.2016129 0.5000000 0.3486889), wk = 0.0017699 k( 350) = ( 0.2096774 0.5000000 0.3486889), wk = 0.0017699 k( 351) = ( 0.2177419 0.5000000 0.3486889), wk = 0.0017699 k( 352) = ( 0.2258064 0.5000000 0.3486889), wk = 0.0017699 k( 353) = ( 0.2338710 0.5000000 0.3486889), wk = 0.0017699 k( 354) = ( 0.2419355 0.5000000 0.3486889), wk = 0.0017699 k( 355) = ( 0.2500000 0.5000000 0.3486889), wk = 0.0017699 k( 356) = ( 0.2580645 0.5000000 0.3486889), wk = 0.0017699 k( 357) = ( 0.2661290 0.5000000 0.3486889), wk = 0.0017699 k( 358) = ( 0.2741936 0.5000000 0.3486889), wk = 0.0017699 k( 359) = ( 0.2822581 0.5000000 0.3486889), wk = 0.0017699 k( 360) = ( 0.2903226 0.5000000 0.3486889), wk = 0.0017699 k( 361) = ( 0.2983871 0.5000000 0.3486889), wk = 0.0017699 k( 362) = ( 0.3064516 0.5000000 0.3486889), wk = 0.0017699 k( 363) = ( 0.3145161 0.5000000 0.3486889), wk = 0.0017699 k( 364) = ( 0.3225807 0.5000000 0.3486889), wk = 0.0017699 k( 365) = ( 0.3306452 0.5000000 0.3486889), wk = 0.0017699 k( 366) = ( 0.3387097 0.5000000 0.3486889), wk = 0.0017699 k( 367) = ( 0.3467742 0.5000000 0.3486889), wk = 0.0017699 k( 368) = ( 0.3548387 0.5000000 0.3486889), wk = 0.0017699 k( 369) = ( 0.3629032 0.5000000 0.3486889), wk = 0.0017699 k( 370) = ( 0.3709677 0.5000000 0.3486889), wk = 0.0017699 k( 371) = ( 0.3790323 0.5000000 0.3486889), wk = 0.0017699 k( 372) = ( 0.3870968 0.5000000 0.3486889), wk = 0.0017699 k( 373) = ( 0.3951613 0.5000000 0.3486889), wk = 0.0017699 k( 374) = ( 0.4032258 0.5000000 0.3486889), wk = 0.0017699 k( 375) = ( 0.4112903 0.5000000 0.3486889), wk = 0.0017699 k( 376) = ( 0.4193548 0.5000000 0.3486889), wk = 0.0017699 k( 377) = ( 0.4274193 0.5000000 0.3486889), wk = 0.0017699 k( 378) = ( 0.4354839 0.5000000 0.3486889), wk = 0.0017699 k( 379) = ( 0.4435484 0.5000000 0.3486889), wk = 0.0017699 k( 380) = ( 0.4516129 0.5000000 0.3486889), wk = 0.0017699 k( 381) = ( 0.4596774 0.5000000 0.3486889), wk = 0.0017699 k( 382) = ( 0.4677419 0.5000000 0.3486889), wk = 0.0017699 k( 383) = ( 0.4758064 0.5000000 0.3486889), wk = 0.0017699 k( 384) = ( 0.4838710 0.5000000 0.3486889), wk = 0.0017699 k( 385) = ( 0.4919355 0.5000000 0.3486889), wk = 0.0017699 k( 386) = ( 0.5000000 0.5000000 0.3486889), wk = 0.0017699 k( 387) = ( 0.5000000 0.5000000 0.3486889), wk = 0.0017699 k( 388) = ( 0.4943182 0.4943182 0.3486889), wk = 0.0017699 k( 389) = ( 0.4886364 0.4886364 0.3486889), wk = 0.0017699 k( 390) = ( 0.4829545 0.4829545 0.3486889), wk = 0.0017699 k( 391) = ( 0.4772727 0.4772727 0.3486889), wk = 0.0017699 k( 392) = ( 0.4715909 0.4715909 0.3486889), wk = 0.0017699 k( 393) = ( 0.4659091 0.4659091 0.3486889), wk = 0.0017699 k( 394) = ( 0.4602273 0.4602273 0.3486889), wk = 0.0017699 k( 395) = ( 0.4545455 0.4545454 0.3486889), wk = 0.0017699 k( 396) = ( 0.4488636 0.4488636 0.3486889), wk = 0.0017699 k( 397) = ( 0.4431818 0.4431818 0.3486889), wk = 0.0017699 k( 398) = ( 0.4375000 0.4375000 0.3486889), wk = 0.0017699 k( 399) = ( 0.4318182 0.4318182 0.3486889), wk = 0.0017699 k( 400) = ( 0.4261364 0.4261364 0.3486889), wk = 0.0017699 k( 401) = ( 0.4204545 0.4204545 0.3486889), wk = 0.0017699 k( 402) = ( 0.4147727 0.4147727 0.3486889), wk = 0.0017699 k( 403) = ( 0.4090909 0.4090909 0.3486889), wk = 0.0017699 k( 404) = ( 0.4034091 0.4034091 0.3486889), wk = 0.0017699 k( 405) = ( 0.3977273 0.3977273 0.3486889), wk = 0.0017699 k( 406) = ( 0.3920455 0.3920454 0.3486889), wk = 0.0017699 k( 407) = ( 0.3863636 0.3863636 0.3486889), wk = 0.0017699 k( 408) = ( 0.3806818 0.3806818 0.3486889), wk = 0.0017699 k( 409) = ( 0.3750000 0.3750000 0.3486889), wk = 0.0017699 k( 410) = ( 0.3693182 0.3693182 0.3486889), wk = 0.0017699 k( 411) = ( 0.3636364 0.3636364 0.3486889), wk = 0.0017699 k( 412) = ( 0.3579545 0.3579545 0.3486889), wk = 0.0017699 k( 413) = ( 0.3522727 0.3522727 0.3486889), wk = 0.0017699 k( 414) = ( 0.3465909 0.3465909 0.3486889), wk = 0.0017699 k( 415) = ( 0.3409091 0.3409091 0.3486889), wk = 0.0017699 k( 416) = ( 0.3352273 0.3352273 0.3486889), wk = 0.0017699 k( 417) = ( 0.3295455 0.3295454 0.3486889), wk = 0.0017699 k( 418) = ( 0.3238636 0.3238636 0.3486889), wk = 0.0017699 k( 419) = ( 0.3181818 0.3181818 0.3486889), wk = 0.0017699 k( 420) = ( 0.3125000 0.3125000 0.3486889), wk = 0.0017699 k( 421) = ( 0.3068182 0.3068182 0.3486889), wk = 0.0017699 k( 422) = ( 0.3011364 0.3011364 0.3486889), wk = 0.0017699 k( 423) = ( 0.2954545 0.2954545 0.3486889), wk = 0.0017699 k( 424) = ( 0.2897727 0.2897727 0.3486889), wk = 0.0017699 k( 425) = ( 0.2840909 0.2840909 0.3486889), wk = 0.0017699 k( 426) = ( 0.2784091 0.2784091 0.3486889), wk = 0.0017699 k( 427) = ( 0.2727273 0.2727273 0.3486889), wk = 0.0017699 k( 428) = ( 0.2670455 0.2670455 0.3486889), wk = 0.0017699 k( 429) = ( 0.2613636 0.2613636 0.3486889), wk = 0.0017699 k( 430) = ( 0.2556818 0.2556818 0.3486889), wk = 0.0017699 k( 431) = ( 0.2500000 0.2500000 0.3486889), wk = 0.0017699 k( 432) = ( 0.2443182 0.2443182 0.3486889), wk = 0.0017699 k( 433) = ( 0.2386364 0.2386364 0.3486889), wk = 0.0017699 k( 434) = ( 0.2329546 0.2329545 0.3486889), wk = 0.0017699 k( 435) = ( 0.2272727 0.2272727 0.3486889), wk = 0.0017699 k( 436) = ( 0.2215909 0.2215909 0.3486889), wk = 0.0017699 k( 437) = ( 0.2159091 0.2159091 0.3486889), wk = 0.0017699 k( 438) = ( 0.2102273 0.2102273 0.3486889), wk = 0.0017699 k( 439) = ( 0.2045454 0.2045454 0.3486889), wk = 0.0017699 k( 440) = ( 0.1988636 0.1988636 0.3486889), wk = 0.0017699 k( 441) = ( 0.1931818 0.1931818 0.3486889), wk = 0.0017699 k( 442) = ( 0.1875000 0.1875000 0.3486889), wk = 0.0017699 k( 443) = ( 0.1818182 0.1818182 0.3486889), wk = 0.0017699 k( 444) = ( 0.1761364 0.1761364 0.3486889), wk = 0.0017699 k( 445) = ( 0.1704546 0.1704545 0.3486889), wk = 0.0017699 k( 446) = ( 0.1647727 0.1647727 0.3486889), wk = 0.0017699 k( 447) = ( 0.1590909 0.1590909 0.3486889), wk = 0.0017699 k( 448) = ( 0.1534091 0.1534091 0.3486889), wk = 0.0017699 k( 449) = ( 0.1477273 0.1477273 0.3486889), wk = 0.0017699 k( 450) = ( 0.1420454 0.1420454 0.3486889), wk = 0.0017699 k( 451) = ( 0.1363636 0.1363636 0.3486889), wk = 0.0017699 k( 452) = ( 0.1306818 0.1306818 0.3486889), wk = 0.0017699 k( 453) = ( 0.1250000 0.1250000 0.3486889), wk = 0.0017699 k( 454) = ( 0.1193182 0.1193182 0.3486889), wk = 0.0017699 k( 455) = ( 0.1136364 0.1136364 0.3486889), wk = 0.0017699 k( 456) = ( 0.1079545 0.1079545 0.3486889), wk = 0.0017699 k( 457) = ( 0.1022727 0.1022727 0.3486889), wk = 0.0017699 k( 458) = ( 0.0965909 0.0965909 0.3486889), wk = 0.0017699 k( 459) = ( 0.0909091 0.0909091 0.3486889), wk = 0.0017699 k( 460) = ( 0.0852273 0.0852273 0.3486889), wk = 0.0017699 k( 461) = ( 0.0795455 0.0795454 0.3486889), wk = 0.0017699 k( 462) = ( 0.0738636 0.0738636 0.3486889), wk = 0.0017699 k( 463) = ( 0.0681818 0.0681818 0.3486889), wk = 0.0017699 k( 464) = ( 0.0625000 0.0625000 0.3486889), wk = 0.0017699 k( 465) = ( 0.0568182 0.0568182 0.3486889), wk = 0.0017699 k( 466) = ( 0.0511364 0.0511364 0.3486889), wk = 0.0017699 k( 467) = ( 0.0454546 0.0454545 0.3486889), wk = 0.0017699 k( 468) = ( 0.0397727 0.0397727 0.3486889), wk = 0.0017699 k( 469) = ( 0.0340909 0.0340909 0.3486889), wk = 0.0017699 k( 470) = ( 0.0284091 0.0284091 0.3486889), wk = 0.0017699 k( 471) = ( 0.0227273 0.0227273 0.3486889), wk = 0.0017699 k( 472) = ( 0.0170455 0.0170455 0.3486889), wk = 0.0017699 k( 473) = ( 0.0113636 0.0113636 0.3486889), wk = 0.0017699 k( 474) = ( 0.0056818 0.0056818 0.3486889), wk = 0.0017699 k( 475) = ( 0.0000000 0.0000000 0.3486889), wk = 0.0017699 k( 476) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0017699 k( 477) = ( 0.0000000 0.5000000 0.0079247), wk = 0.0017699 k( 478) = ( 0.0000000 0.5000000 0.0158495), wk = 0.0017699 k( 479) = ( 0.0000000 0.5000000 0.0237742), wk = 0.0017699 k( 480) = ( 0.0000000 0.5000000 0.0316990), wk = 0.0017699 k( 481) = ( 0.0000000 0.5000000 0.0396237), wk = 0.0017699 k( 482) = ( 0.0000000 0.5000000 0.0475485), wk = 0.0017699 k( 483) = ( 0.0000000 0.5000000 0.0554732), wk = 0.0017699 k( 484) = ( 0.0000000 0.5000000 0.0633980), wk = 0.0017699 k( 485) = ( 0.0000000 0.5000000 0.0713227), wk = 0.0017699 k( 486) = ( 0.0000000 0.5000000 0.0792475), wk = 0.0017699 k( 487) = ( 0.0000000 0.5000000 0.0871722), wk = 0.0017699 k( 488) = ( 0.0000000 0.5000000 0.0950970), wk = 0.0017699 k( 489) = ( 0.0000000 0.5000000 0.1030217), wk = 0.0017699 k( 490) = ( 0.0000000 0.5000000 0.1109465), wk = 0.0017699 k( 491) = ( 0.0000000 0.5000000 0.1188712), wk = 0.0017699 k( 492) = ( 0.0000000 0.5000000 0.1267960), wk = 0.0017699 k( 493) = ( 0.0000000 0.5000000 0.1347207), wk = 0.0017699 k( 494) = ( 0.0000000 0.5000000 0.1426454), wk = 0.0017699 k( 495) = ( 0.0000000 0.5000000 0.1505702), wk = 0.0017699 k( 496) = ( 0.0000000 0.5000000 0.1584949), wk = 0.0017699 k( 497) = ( 0.0000000 0.5000000 0.1664197), wk = 0.0017699 k( 498) = ( 0.0000000 0.5000000 0.1743444), wk = 0.0017699 k( 499) = ( 0.0000000 0.5000000 0.1822692), wk = 0.0017699 k( 500) = ( 0.0000000 0.5000000 0.1901939), wk = 0.0017699 k( 501) = ( 0.0000000 0.5000000 0.1981187), wk = 0.0017699 k( 502) = ( 0.0000000 0.5000000 0.2060434), wk = 0.0017699 k( 503) = ( 0.0000000 0.5000000 0.2139682), wk = 0.0017699 k( 504) = ( 0.0000000 0.5000000 0.2218929), wk = 0.0017699 k( 505) = ( 0.0000000 0.5000000 0.2298177), wk = 0.0017699 k( 506) = ( 0.0000000 0.5000000 0.2377424), wk = 0.0017699 k( 507) = ( 0.0000000 0.5000000 0.2456672), wk = 0.0017699 k( 508) = ( 0.0000000 0.5000000 0.2535919), wk = 0.0017699 k( 509) = ( 0.0000000 0.5000000 0.2615167), wk = 0.0017699 k( 510) = ( 0.0000000 0.5000000 0.2694414), wk = 0.0017699 k( 511) = ( 0.0000000 0.5000000 0.2773661), wk = 0.0017699 k( 512) = ( 0.0000000 0.5000000 0.2852909), wk = 0.0017699 k( 513) = ( 0.0000000 0.5000000 0.2932156), wk = 0.0017699 k( 514) = ( 0.0000000 0.5000000 0.3011404), wk = 0.0017699 k( 515) = ( 0.0000000 0.5000000 0.3090651), wk = 0.0017699 k( 516) = ( 0.0000000 0.5000000 0.3169899), wk = 0.0017699 k( 517) = ( 0.0000000 0.5000000 0.3249146), wk = 0.0017699 k( 518) = ( 0.0000000 0.5000000 0.3328394), wk = 0.0017699 k( 519) = ( 0.0000000 0.5000000 0.3407641), wk = 0.0017699 k( 520) = ( 0.0000000 0.5000000 0.3486889), wk = 0.0017699 k( 521) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0017699 k( 522) = ( 0.5000000 0.5000000 0.0079247), wk = 0.0017699 k( 523) = ( 0.5000000 0.5000000 0.0158495), wk = 0.0017699 k( 524) = ( 0.5000000 0.5000000 0.0237742), wk = 0.0017699 k( 525) = ( 0.5000000 0.5000000 0.0316990), wk = 0.0017699 k( 526) = ( 0.5000000 0.5000000 0.0396237), wk = 0.0017699 k( 527) = ( 0.5000000 0.5000000 0.0475485), wk = 0.0017699 k( 528) = ( 0.5000000 0.5000000 0.0554732), wk = 0.0017699 k( 529) = ( 0.5000000 0.5000000 0.0633980), wk = 0.0017699 k( 530) = ( 0.5000000 0.5000000 0.0713227), wk = 0.0017699 k( 531) = ( 0.5000000 0.5000000 0.0792475), wk = 0.0017699 k( 532) = ( 0.5000000 0.5000000 0.0871722), wk = 0.0017699 k( 533) = ( 0.5000000 0.5000000 0.0950970), wk = 0.0017699 k( 534) = ( 0.5000000 0.5000000 0.1030217), wk = 0.0017699 k( 535) = ( 0.5000000 0.5000000 0.1109465), wk = 0.0017699 k( 536) = ( 0.5000000 0.5000000 0.1188712), wk = 0.0017699 k( 537) = ( 0.5000000 0.5000000 0.1267960), wk = 0.0017699 k( 538) = ( 0.5000000 0.5000000 0.1347207), wk = 0.0017699 k( 539) = ( 0.5000000 0.5000000 0.1426454), wk = 0.0017699 k( 540) = ( 0.5000000 0.5000000 0.1505702), wk = 0.0017699 k( 541) = ( 0.5000000 0.5000000 0.1584949), wk = 0.0017699 k( 542) = ( 0.5000000 0.5000000 0.1664197), wk = 0.0017699 k( 543) = ( 0.5000000 0.5000000 0.1743444), wk = 0.0017699 k( 544) = ( 0.5000000 0.5000000 0.1822692), wk = 0.0017699 k( 545) = ( 0.5000000 0.5000000 0.1901939), wk = 0.0017699 k( 546) = ( 0.5000000 0.5000000 0.1981187), wk = 0.0017699 k( 547) = ( 0.5000000 0.5000000 0.2060434), wk = 0.0017699 k( 548) = ( 0.5000000 0.5000000 0.2139682), wk = 0.0017699 k( 549) = ( 0.5000000 0.5000000 0.2218929), wk = 0.0017699 k( 550) = ( 0.5000000 0.5000000 0.2298177), wk = 0.0017699 k( 551) = ( 0.5000000 0.5000000 0.2377424), wk = 0.0017699 k( 552) = ( 0.5000000 0.5000000 0.2456672), wk = 0.0017699 k( 553) = ( 0.5000000 0.5000000 0.2535919), wk = 0.0017699 k( 554) = ( 0.5000000 0.5000000 0.2615167), wk = 0.0017699 k( 555) = ( 0.5000000 0.5000000 0.2694414), wk = 0.0017699 k( 556) = ( 0.5000000 0.5000000 0.2773661), wk = 0.0017699 k( 557) = ( 0.5000000 0.5000000 0.2852909), wk = 0.0017699 k( 558) = ( 0.5000000 0.5000000 0.2932156), wk = 0.0017699 k( 559) = ( 0.5000000 0.5000000 0.3011404), wk = 0.0017699 k( 560) = ( 0.5000000 0.5000000 0.3090651), wk = 0.0017699 k( 561) = ( 0.5000000 0.5000000 0.3169899), wk = 0.0017699 k( 562) = ( 0.5000000 0.5000000 0.3249146), wk = 0.0017699 k( 563) = ( 0.5000000 0.5000000 0.3328394), wk = 0.0017699 k( 564) = ( 0.5000000 0.5000000 0.3407641), wk = 0.0017699 k( 565) = ( 0.5000000 0.5000000 0.3486889), wk = 0.0017699 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017699 k( 2) = ( 0.0000000 0.0080645 0.0000000), wk = 0.0017699 k( 3) = ( 0.0000000 0.0161290 0.0000000), wk = 0.0017699 k( 4) = ( 0.0000000 0.0241936 0.0000000), wk = 0.0017699 k( 5) = ( 0.0000000 0.0322581 0.0000000), wk = 0.0017699 k( 6) = ( 0.0000000 0.0403226 -0.0000000), wk = 0.0017699 k( 7) = ( 0.0000000 0.0483871 0.0000000), wk = 0.0017699 k( 8) = ( 0.0000000 0.0564516 0.0000000), wk = 0.0017699 k( 9) = ( 0.0000000 0.0645161 0.0000000), wk = 0.0017699 k( 10) = ( 0.0000000 0.0725806 0.0000000), wk = 0.0017699 k( 11) = ( 0.0000000 0.0806452 -0.0000000), wk = 0.0017699 k( 12) = ( 0.0000000 0.0887097 0.0000000), wk = 0.0017699 k( 13) = ( 0.0000000 0.0967742 0.0000000), wk = 0.0017699 k( 14) = ( 0.0000000 0.1048387 0.0000000), wk = 0.0017699 k( 15) = ( 0.0000000 0.1129032 0.0000000), wk = 0.0017699 k( 16) = ( 0.0000000 0.1209677 0.0000000), wk = 0.0017699 k( 17) = ( 0.0000000 0.1290323 0.0000000), wk = 0.0017699 k( 18) = ( 0.0000000 0.1370968 0.0000000), wk = 0.0017699 k( 19) = ( 0.0000000 0.1451613 -0.0000000), wk = 0.0017699 k( 20) = ( 0.0000000 0.1532258 0.0000000), wk = 0.0017699 k( 21) = ( 0.0000000 0.1612903 -0.0000000), wk = 0.0017699 k( 22) = ( 0.0000000 0.1693548 0.0000000), wk = 0.0017699 k( 23) = ( 0.0000000 0.1774194 0.0000000), wk = 0.0017699 k( 24) = ( 0.0000000 0.1854839 -0.0000000), wk = 0.0017699 k( 25) = ( 0.0000000 0.1935484 0.0000000), wk = 0.0017699 k( 26) = ( 0.0000000 0.2016129 0.0000000), wk = 0.0017699 k( 27) = ( 0.0000000 0.2096774 0.0000000), wk = 0.0017699 k( 28) = ( 0.0000000 0.2177419 0.0000000), wk = 0.0017699 k( 29) = ( 0.0000000 0.2258064 0.0000000), wk = 0.0017699 k( 30) = ( 0.0000000 0.2338710 0.0000000), wk = 0.0017699 k( 31) = ( 0.0000000 0.2419355 0.0000000), wk = 0.0017699 k( 32) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0017699 k( 33) = ( 0.0000000 0.2580645 0.0000000), wk = 0.0017699 k( 34) = ( 0.0000000 0.2661290 0.0000000), wk = 0.0017699 k( 35) = ( 0.0000000 0.2741936 0.0000000), wk = 0.0017699 k( 36) = ( 0.0000000 0.2822581 0.0000000), wk = 0.0017699 k( 37) = ( 0.0000000 0.2903226 -0.0000000), wk = 0.0017699 k( 38) = ( 0.0000000 0.2983871 0.0000000), wk = 0.0017699 k( 39) = ( 0.0000000 0.3064516 0.0000000), wk = 0.0017699 k( 40) = ( 0.0000000 0.3145161 0.0000000), wk = 0.0017699 k( 41) = ( 0.0000000 0.3225807 0.0000000), wk = 0.0017699 k( 42) = ( 0.0000000 0.3306452 0.0000000), wk = 0.0017699 k( 43) = ( 0.0000000 0.3387097 0.0000000), wk = 0.0017699 k( 44) = ( 0.0000000 0.3467742 0.0000000), wk = 0.0017699 k( 45) = ( 0.0000000 0.3548387 0.0000000), wk = 0.0017699 k( 46) = ( 0.0000000 0.3629032 0.0000000), wk = 0.0017699 k( 47) = ( 0.0000000 0.3709677 -0.0000000), wk = 0.0017699 k( 48) = ( 0.0000000 0.3790323 0.0000000), wk = 0.0017699 k( 49) = ( 0.0000000 0.3870968 0.0000000), wk = 0.0017699 k( 50) = ( 0.0000000 0.3951613 0.0000000), wk = 0.0017699 k( 51) = ( 0.0000000 0.4032258 0.0000000), wk = 0.0017699 k( 52) = ( 0.0000000 0.4112903 0.0000000), wk = 0.0017699 k( 53) = ( 0.0000000 0.4193548 0.0000000), wk = 0.0017699 k( 54) = ( 0.0000000 0.4274193 0.0000000), wk = 0.0017699 k( 55) = ( 0.0000000 0.4354839 0.0000000), wk = 0.0017699 k( 56) = ( 0.0000000 0.4435484 0.0000000), wk = 0.0017699 k( 57) = ( 0.0000000 0.4516129 0.0000000), wk = 0.0017699 k( 58) = ( 0.0000000 0.4596774 0.0000000), wk = 0.0017699 k( 59) = ( 0.0000000 0.4677419 0.0000000), wk = 0.0017699 k( 60) = ( 0.0000000 0.4758064 0.0000000), wk = 0.0017699 k( 61) = ( 0.0000000 0.4838710 0.0000000), wk = 0.0017699 k( 62) = ( 0.0000000 0.4919355 -0.0000000), wk = 0.0017699 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017699 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017699 k( 65) = ( 0.0080645 0.5000000 0.0000000), wk = 0.0017699 k( 66) = ( 0.0161290 0.5000000 0.0000000), wk = 0.0017699 k( 67) = ( 0.0241936 0.5000000 0.0000000), wk = 0.0017699 k( 68) = ( 0.0322581 0.5000000 0.0000000), wk = 0.0017699 k( 69) = ( 0.0403226 0.5000000 0.0000000), wk = 0.0017699 k( 70) = ( 0.0483871 0.5000000 0.0000000), wk = 0.0017699 k( 71) = ( 0.0564516 0.5000000 0.0000000), wk = 0.0017699 k( 72) = ( 0.0645161 0.5000000 0.0000000), wk = 0.0017699 k( 73) = ( 0.0725806 0.5000000 0.0000000), wk = 0.0017699 k( 74) = ( 0.0806452 0.5000000 -0.0000000), wk = 0.0017699 k( 75) = ( 0.0887097 0.5000000 0.0000000), wk = 0.0017699 k( 76) = ( 0.0967742 0.5000000 0.0000000), wk = 0.0017699 k( 77) = ( 0.1048387 0.5000000 0.0000000), wk = 0.0017699 k( 78) = ( 0.1129032 0.5000000 0.0000000), wk = 0.0017699 k( 79) = ( 0.1209677 0.5000000 0.0000000), wk = 0.0017699 k( 80) = ( 0.1290323 0.5000000 0.0000000), wk = 0.0017699 k( 81) = ( 0.1370968 0.5000000 0.0000000), wk = 0.0017699 k( 82) = ( 0.1451613 0.5000000 0.0000000), wk = 0.0017699 k( 83) = ( 0.1532258 0.5000000 -0.0000000), wk = 0.0017699 k( 84) = ( 0.1612903 0.5000000 0.0000000), wk = 0.0017699 k( 85) = ( 0.1693548 0.5000000 0.0000000), wk = 0.0017699 k( 86) = ( 0.1774194 0.5000000 0.0000000), wk = 0.0017699 k( 87) = ( 0.1854839 0.5000000 0.0000000), wk = 0.0017699 k( 88) = ( 0.1935484 0.5000000 0.0000000), wk = 0.0017699 k( 89) = ( 0.2016129 0.5000000 0.0000000), wk = 0.0017699 k( 90) = ( 0.2096774 0.5000000 0.0000000), wk = 0.0017699 k( 91) = ( 0.2177419 0.5000000 0.0000000), wk = 0.0017699 k( 92) = ( 0.2258064 0.5000000 0.0000000), wk = 0.0017699 k( 93) = ( 0.2338710 0.5000000 0.0000000), wk = 0.0017699 k( 94) = ( 0.2419355 0.5000000 0.0000000), wk = 0.0017699 k( 95) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0017699 k( 96) = ( 0.2580645 0.5000000 0.0000000), wk = 0.0017699 k( 97) = ( 0.2661290 0.5000000 0.0000000), wk = 0.0017699 k( 98) = ( 0.2741936 0.5000000 0.0000000), wk = 0.0017699 k( 99) = ( 0.2822581 0.5000000 0.0000000), wk = 0.0017699 k( 100) = ( 0.2903226 0.5000000 0.0000000), wk = 0.0017699 k( 101) = ( 0.2983871 0.5000000 0.0000000), wk = 0.0017699 k( 102) = ( 0.3064516 0.5000000 0.0000000), wk = 0.0017699 k( 103) = ( 0.3145161 0.5000000 -0.0000000), wk = 0.0017699 k( 104) = ( 0.3225807 0.5000000 0.0000000), wk = 0.0017699 k( 105) = ( 0.3306452 0.5000000 0.0000000), wk = 0.0017699 k( 106) = ( 0.3387097 0.5000000 0.0000000), wk = 0.0017699 k( 107) = ( 0.3467742 0.5000000 0.0000000), wk = 0.0017699 k( 108) = ( 0.3548387 0.5000000 -0.0000000), wk = 0.0017699 k( 109) = ( 0.3629032 0.5000000 0.0000000), wk = 0.0017699 k( 110) = ( 0.3709677 0.5000000 0.0000000), wk = 0.0017699 k( 111) = ( 0.3790323 0.5000000 -0.0000000), wk = 0.0017699 k( 112) = ( 0.3870968 0.5000000 0.0000000), wk = 0.0017699 k( 113) = ( 0.3951613 0.5000000 -0.0000000), wk = 0.0017699 k( 114) = ( 0.4032258 0.5000000 0.0000000), wk = 0.0017699 k( 115) = ( 0.4112903 0.5000000 0.0000000), wk = 0.0017699 k( 116) = ( 0.4193548 0.5000000 0.0000000), wk = 0.0017699 k( 117) = ( 0.4274193 0.5000000 0.0000000), wk = 0.0017699 k( 118) = ( 0.4354839 0.5000000 0.0000000), wk = 0.0017699 k( 119) = ( 0.4435484 0.5000000 -0.0000000), wk = 0.0017699 k( 120) = ( 0.4516129 0.5000000 0.0000000), wk = 0.0017699 k( 121) = ( 0.4596774 0.5000000 0.0000000), wk = 0.0017699 k( 122) = ( 0.4677419 0.5000000 -0.0000000), wk = 0.0017699 k( 123) = ( 0.4758064 0.5000000 0.0000000), wk = 0.0017699 k( 124) = ( 0.4838710 0.5000000 0.0000000), wk = 0.0017699 k( 125) = ( 0.4919355 0.5000000 0.0000000), wk = 0.0017699 k( 126) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0017699 k( 127) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0017699 k( 128) = ( 0.4943182 0.4943182 0.0000000), wk = 0.0017699 k( 129) = ( 0.4886364 0.4886364 0.0000000), wk = 0.0017699 k( 130) = ( 0.4829545 0.4829545 0.0000000), wk = 0.0017699 k( 131) = ( 0.4772727 0.4772727 0.0000000), wk = 0.0017699 k( 132) = ( 0.4715909 0.4715909 0.0000000), wk = 0.0017699 k( 133) = ( 0.4659091 0.4659091 -0.0000000), wk = 0.0017699 k( 134) = ( 0.4602273 0.4602273 -0.0000000), wk = 0.0017699 k( 135) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0017699 k( 136) = ( 0.4488636 0.4488636 0.0000000), wk = 0.0017699 k( 137) = ( 0.4431818 0.4431818 0.0000000), wk = 0.0017699 k( 138) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0017699 k( 139) = ( 0.4318182 0.4318182 0.0000000), wk = 0.0017699 k( 140) = ( 0.4261364 0.4261364 0.0000000), wk = 0.0017699 k( 141) = ( 0.4204545 0.4204545 -0.0000000), wk = 0.0017699 k( 142) = ( 0.4147727 0.4147727 -0.0000000), wk = 0.0017699 k( 143) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0017699 k( 144) = ( 0.4034091 0.4034091 0.0000000), wk = 0.0017699 k( 145) = ( 0.3977273 0.3977273 -0.0000000), wk = 0.0017699 k( 146) = ( 0.3920455 0.3920455 0.0000000), wk = 0.0017699 k( 147) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0017699 k( 148) = ( 0.3806818 0.3806818 -0.0000000), wk = 0.0017699 k( 149) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0017699 k( 150) = ( 0.3693182 0.3693182 -0.0000000), wk = 0.0017699 k( 151) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0017699 k( 152) = ( 0.3579545 0.3579545 -0.0000000), wk = 0.0017699 k( 153) = ( 0.3522727 0.3522727 0.0000000), wk = 0.0017699 k( 154) = ( 0.3465909 0.3465909 -0.0000000), wk = 0.0017699 k( 155) = ( 0.3409091 0.3409091 0.0000000), wk = 0.0017699 k( 156) = ( 0.3352273 0.3352273 0.0000000), wk = 0.0017699 k( 157) = ( 0.3295455 0.3295455 0.0000000), wk = 0.0017699 k( 158) = ( 0.3238636 0.3238636 0.0000000), wk = 0.0017699 k( 159) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0017699 k( 160) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0017699 k( 161) = ( 0.3068182 0.3068182 0.0000000), wk = 0.0017699 k( 162) = ( 0.3011364 0.3011364 0.0000000), wk = 0.0017699 k( 163) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0017699 k( 164) = ( 0.2897727 0.2897727 0.0000000), wk = 0.0017699 k( 165) = ( 0.2840909 0.2840909 0.0000000), wk = 0.0017699 k( 166) = ( 0.2784091 0.2784091 -0.0000000), wk = 0.0017699 k( 167) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0017699 k( 168) = ( 0.2670455 0.2670455 0.0000000), wk = 0.0017699 k( 169) = ( 0.2613636 0.2613636 -0.0000000), wk = 0.0017699 k( 170) = ( 0.2556818 0.2556818 0.0000000), wk = 0.0017699 k( 171) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0017699 k( 172) = ( 0.2443182 0.2443182 0.0000000), wk = 0.0017699 k( 173) = ( 0.2386364 0.2386364 0.0000000), wk = 0.0017699 k( 174) = ( 0.2329546 0.2329546 0.0000000), wk = 0.0017699 k( 175) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0017699 k( 176) = ( 0.2215909 0.2215909 0.0000000), wk = 0.0017699 k( 177) = ( 0.2159091 0.2159091 0.0000000), wk = 0.0017699 k( 178) = ( 0.2102273 0.2102273 0.0000000), wk = 0.0017699 k( 179) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0017699 k( 180) = ( 0.1988636 0.1988636 0.0000000), wk = 0.0017699 k( 181) = ( 0.1931818 0.1931818 0.0000000), wk = 0.0017699 k( 182) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0017699 k( 183) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0017699 k( 184) = ( 0.1761364 0.1761364 -0.0000000), wk = 0.0017699 k( 185) = ( 0.1704546 0.1704546 0.0000000), wk = 0.0017699 k( 186) = ( 0.1647727 0.1647727 0.0000000), wk = 0.0017699 k( 187) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0017699 k( 188) = ( 0.1534091 0.1534091 0.0000000), wk = 0.0017699 k( 189) = ( 0.1477273 0.1477273 0.0000000), wk = 0.0017699 k( 190) = ( 0.1420454 0.1420454 0.0000000), wk = 0.0017699 k( 191) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0017699 k( 192) = ( 0.1306818 0.1306818 -0.0000000), wk = 0.0017699 k( 193) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0017699 k( 194) = ( 0.1193182 0.1193182 0.0000000), wk = 0.0017699 k( 195) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0017699 k( 196) = ( 0.1079545 0.1079545 0.0000000), wk = 0.0017699 k( 197) = ( 0.1022727 0.1022727 0.0000000), wk = 0.0017699 k( 198) = ( 0.0965909 0.0965909 0.0000000), wk = 0.0017699 k( 199) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0017699 k( 200) = ( 0.0852273 0.0852273 0.0000000), wk = 0.0017699 k( 201) = ( 0.0795455 0.0795455 -0.0000000), wk = 0.0017699 k( 202) = ( 0.0738636 0.0738636 0.0000000), wk = 0.0017699 k( 203) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0017699 k( 204) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0017699 k( 205) = ( 0.0568182 0.0568182 0.0000000), wk = 0.0017699 k( 206) = ( 0.0511364 0.0511364 -0.0000000), wk = 0.0017699 k( 207) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0017699 k( 208) = ( 0.0397727 0.0397727 0.0000000), wk = 0.0017699 k( 209) = ( 0.0340909 0.0340909 0.0000000), wk = 0.0017699 k( 210) = ( 0.0284091 0.0284091 0.0000000), wk = 0.0017699 k( 211) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0017699 k( 212) = ( 0.0170455 0.0170455 0.0000000), wk = 0.0017699 k( 213) = ( 0.0113636 0.0113636 -0.0000000), wk = 0.0017699 k( 214) = ( 0.0056818 0.0056818 -0.0000000), wk = 0.0017699 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017699 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017699 k( 217) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0017699 k( 218) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0017699 k( 219) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0017699 k( 220) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0017699 k( 221) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0017699 k( 222) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0017699 k( 223) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0017699 k( 224) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0017699 k( 225) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0017699 k( 226) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0017699 k( 227) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0017699 k( 228) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0017699 k( 229) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0017699 k( 230) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0017699 k( 231) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0017699 k( 232) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0017699 k( 233) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0017699 k( 234) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0017699 k( 235) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0017699 k( 236) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0017699 k( 237) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0017699 k( 238) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0017699 k( 239) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0017699 k( 240) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0017699 k( 241) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0017699 k( 242) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0017699 k( 243) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0017699 k( 244) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0017699 k( 245) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0017699 k( 246) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0017699 k( 247) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0017699 k( 248) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0017699 k( 249) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0017699 k( 250) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0017699 k( 251) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0017699 k( 252) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0017699 k( 253) = ( 0.0000000 0.0000000 0.4204546), wk = 0.0017699 k( 254) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0017699 k( 255) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0017699 k( 256) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0017699 k( 257) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0017699 k( 258) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0017699 k( 259) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0017699 k( 260) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017699 k( 261) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017699 k( 262) = ( 0.0000000 0.0080645 0.5000000), wk = 0.0017699 k( 263) = ( 0.0000000 0.0161290 0.5000000), wk = 0.0017699 k( 264) = ( 0.0000000 0.0241936 0.5000000), wk = 0.0017699 k( 265) = ( 0.0000000 0.0322581 0.5000000), wk = 0.0017699 k( 266) = ( 0.0000000 0.0403226 0.5000000), wk = 0.0017699 k( 267) = ( 0.0000000 0.0483871 0.5000000), wk = 0.0017699 k( 268) = ( 0.0000000 0.0564516 0.5000000), wk = 0.0017699 k( 269) = ( 0.0000000 0.0645161 0.5000000), wk = 0.0017699 k( 270) = ( 0.0000000 0.0725806 0.5000000), wk = 0.0017699 k( 271) = ( 0.0000000 0.0806452 0.5000000), wk = 0.0017699 k( 272) = ( 0.0000000 0.0887097 0.5000000), wk = 0.0017699 k( 273) = ( 0.0000000 0.0967742 0.5000000), wk = 0.0017699 k( 274) = ( 0.0000000 0.1048387 0.5000000), wk = 0.0017699 k( 275) = ( 0.0000000 0.1129032 0.5000000), wk = 0.0017699 k( 276) = ( 0.0000000 0.1209677 0.5000000), wk = 0.0017699 k( 277) = ( 0.0000000 0.1290323 0.5000000), wk = 0.0017699 k( 278) = ( 0.0000000 0.1370968 0.5000000), wk = 0.0017699 k( 279) = ( 0.0000000 0.1451613 0.5000000), wk = 0.0017699 k( 280) = ( 0.0000000 0.1532258 0.5000000), wk = 0.0017699 k( 281) = ( 0.0000000 0.1612903 0.5000000), wk = 0.0017699 k( 282) = ( 0.0000000 0.1693548 0.5000000), wk = 0.0017699 k( 283) = ( 0.0000000 0.1774194 0.5000000), wk = 0.0017699 k( 284) = ( 0.0000000 0.1854839 0.5000000), wk = 0.0017699 k( 285) = ( 0.0000000 0.1935484 0.5000000), wk = 0.0017699 k( 286) = ( 0.0000000 0.2016129 0.5000000), wk = 0.0017699 k( 287) = ( 0.0000000 0.2096774 0.5000000), wk = 0.0017699 k( 288) = ( 0.0000000 0.2177419 0.5000000), wk = 0.0017699 k( 289) = ( 0.0000000 0.2258064 0.5000000), wk = 0.0017699 k( 290) = ( 0.0000000 0.2338710 0.5000000), wk = 0.0017699 k( 291) = ( 0.0000000 0.2419355 0.5000000), wk = 0.0017699 k( 292) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0017699 k( 293) = ( 0.0000000 0.2580645 0.5000000), wk = 0.0017699 k( 294) = ( 0.0000000 0.2661290 0.5000000), wk = 0.0017699 k( 295) = ( 0.0000000 0.2741936 0.5000000), wk = 0.0017699 k( 296) = ( 0.0000000 0.2822581 0.5000000), wk = 0.0017699 k( 297) = ( 0.0000000 0.2903226 0.5000000), wk = 0.0017699 k( 298) = ( 0.0000000 0.2983871 0.5000000), wk = 0.0017699 k( 299) = ( 0.0000000 0.3064516 0.5000000), wk = 0.0017699 k( 300) = ( 0.0000000 0.3145161 0.5000000), wk = 0.0017699 k( 301) = ( 0.0000000 0.3225807 0.5000000), wk = 0.0017699 k( 302) = ( 0.0000000 0.3306452 0.5000000), wk = 0.0017699 k( 303) = ( 0.0000000 0.3387097 0.5000000), wk = 0.0017699 k( 304) = ( 0.0000000 0.3467742 0.5000000), wk = 0.0017699 k( 305) = ( 0.0000000 0.3548387 0.5000000), wk = 0.0017699 k( 306) = ( 0.0000000 0.3629032 0.5000000), wk = 0.0017699 k( 307) = ( 0.0000000 0.3709677 0.5000000), wk = 0.0017699 k( 308) = ( 0.0000000 0.3790323 0.5000000), wk = 0.0017699 k( 309) = ( 0.0000000 0.3870968 0.5000000), wk = 0.0017699 k( 310) = ( 0.0000000 0.3951613 0.5000000), wk = 0.0017699 k( 311) = ( 0.0000000 0.4032258 0.5000000), wk = 0.0017699 k( 312) = ( 0.0000000 0.4112903 0.5000000), wk = 0.0017699 k( 313) = ( 0.0000000 0.4193548 0.5000000), wk = 0.0017699 k( 314) = ( 0.0000000 0.4274193 0.5000000), wk = 0.0017699 k( 315) = ( 0.0000000 0.4354839 0.5000000), wk = 0.0017699 k( 316) = ( 0.0000000 0.4435484 0.5000000), wk = 0.0017699 k( 317) = ( 0.0000000 0.4516129 0.5000000), wk = 0.0017699 k( 318) = ( 0.0000000 0.4596774 0.5000000), wk = 0.0017699 k( 319) = ( 0.0000000 0.4677419 0.5000000), wk = 0.0017699 k( 320) = ( 0.0000000 0.4758064 0.5000000), wk = 0.0017699 k( 321) = ( 0.0000000 0.4838710 0.5000000), wk = 0.0017699 k( 322) = ( 0.0000000 0.4919355 0.5000000), wk = 0.0017699 k( 323) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017699 k( 324) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017699 k( 325) = ( 0.0080645 0.5000000 0.5000000), wk = 0.0017699 k( 326) = ( 0.0161290 0.5000000 0.5000000), wk = 0.0017699 k( 327) = ( 0.0241936 0.5000000 0.5000000), wk = 0.0017699 k( 328) = ( 0.0322581 0.5000000 0.5000000), wk = 0.0017699 k( 329) = ( 0.0403226 0.5000000 0.5000000), wk = 0.0017699 k( 330) = ( 0.0483871 0.5000000 0.5000000), wk = 0.0017699 k( 331) = ( 0.0564516 0.5000000 0.5000000), wk = 0.0017699 k( 332) = ( 0.0645161 0.5000000 0.5000000), wk = 0.0017699 k( 333) = ( 0.0725806 0.5000000 0.5000000), wk = 0.0017699 k( 334) = ( 0.0806452 0.5000000 0.5000000), wk = 0.0017699 k( 335) = ( 0.0887097 0.5000000 0.5000000), wk = 0.0017699 k( 336) = ( 0.0967742 0.5000000 0.5000000), wk = 0.0017699 k( 337) = ( 0.1048387 0.5000000 0.5000000), wk = 0.0017699 k( 338) = ( 0.1129032 0.5000000 0.5000000), wk = 0.0017699 k( 339) = ( 0.1209677 0.5000000 0.5000000), wk = 0.0017699 k( 340) = ( 0.1290323 0.5000000 0.5000000), wk = 0.0017699 k( 341) = ( 0.1370968 0.5000000 0.5000000), wk = 0.0017699 k( 342) = ( 0.1451613 0.5000000 0.5000000), wk = 0.0017699 k( 343) = ( 0.1532258 0.5000000 0.5000000), wk = 0.0017699 k( 344) = ( 0.1612903 0.5000000 0.5000000), wk = 0.0017699 k( 345) = ( 0.1693548 0.5000000 0.5000000), wk = 0.0017699 k( 346) = ( 0.1774194 0.5000000 0.5000000), wk = 0.0017699 k( 347) = ( 0.1854839 0.5000000 0.5000000), wk = 0.0017699 k( 348) = ( 0.1935484 0.5000000 0.5000000), wk = 0.0017699 k( 349) = ( 0.2016129 0.5000000 0.5000000), wk = 0.0017699 k( 350) = ( 0.2096774 0.5000000 0.5000000), wk = 0.0017699 k( 351) = ( 0.2177419 0.5000000 0.5000000), wk = 0.0017699 k( 352) = ( 0.2258064 0.5000000 0.5000000), wk = 0.0017699 k( 353) = ( 0.2338710 0.5000000 0.5000000), wk = 0.0017699 k( 354) = ( 0.2419355 0.5000000 0.5000000), wk = 0.0017699 k( 355) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0017699 k( 356) = ( 0.2580645 0.5000000 0.5000000), wk = 0.0017699 k( 357) = ( 0.2661290 0.5000000 0.5000000), wk = 0.0017699 k( 358) = ( 0.2741936 0.5000000 0.5000000), wk = 0.0017699 k( 359) = ( 0.2822581 0.5000000 0.5000000), wk = 0.0017699 k( 360) = ( 0.2903226 0.5000000 0.5000000), wk = 0.0017699 k( 361) = ( 0.2983871 0.5000000 0.5000000), wk = 0.0017699 k( 362) = ( 0.3064516 0.5000000 0.5000000), wk = 0.0017699 k( 363) = ( 0.3145161 0.5000000 0.5000000), wk = 0.0017699 k( 364) = ( 0.3225807 0.5000000 0.5000000), wk = 0.0017699 k( 365) = ( 0.3306452 0.5000000 0.5000000), wk = 0.0017699 k( 366) = ( 0.3387097 0.5000000 0.5000000), wk = 0.0017699 k( 367) = ( 0.3467742 0.5000000 0.5000000), wk = 0.0017699 k( 368) = ( 0.3548387 0.5000000 0.5000000), wk = 0.0017699 k( 369) = ( 0.3629032 0.5000000 0.5000000), wk = 0.0017699 k( 370) = ( 0.3709677 0.5000000 0.5000000), wk = 0.0017699 k( 371) = ( 0.3790323 0.5000000 0.5000000), wk = 0.0017699 k( 372) = ( 0.3870968 0.5000000 0.5000000), wk = 0.0017699 k( 373) = ( 0.3951613 0.5000000 0.5000000), wk = 0.0017699 k( 374) = ( 0.4032258 0.5000000 0.5000000), wk = 0.0017699 k( 375) = ( 0.4112903 0.5000000 0.5000000), wk = 0.0017699 k( 376) = ( 0.4193548 0.5000000 0.5000000), wk = 0.0017699 k( 377) = ( 0.4274193 0.5000000 0.5000000), wk = 0.0017699 k( 378) = ( 0.4354839 0.5000000 0.5000000), wk = 0.0017699 k( 379) = ( 0.4435484 0.5000000 0.5000000), wk = 0.0017699 k( 380) = ( 0.4516129 0.5000000 0.5000000), wk = 0.0017699 k( 381) = ( 0.4596774 0.5000000 0.5000000), wk = 0.0017699 k( 382) = ( 0.4677419 0.5000000 0.5000000), wk = 0.0017699 k( 383) = ( 0.4758064 0.5000000 0.5000000), wk = 0.0017699 k( 384) = ( 0.4838710 0.5000000 0.5000000), wk = 0.0017699 k( 385) = ( 0.4919355 0.5000000 0.5000000), wk = 0.0017699 k( 386) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017699 k( 387) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017699 k( 388) = ( 0.4943182 0.4943182 0.5000000), wk = 0.0017699 k( 389) = ( 0.4886364 0.4886364 0.5000000), wk = 0.0017699 k( 390) = ( 0.4829545 0.4829545 0.5000000), wk = 0.0017699 k( 391) = ( 0.4772727 0.4772727 0.5000000), wk = 0.0017699 k( 392) = ( 0.4715909 0.4715909 0.5000000), wk = 0.0017699 k( 393) = ( 0.4659091 0.4659091 0.5000000), wk = 0.0017699 k( 394) = ( 0.4602273 0.4602273 0.5000000), wk = 0.0017699 k( 395) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0017699 k( 396) = ( 0.4488636 0.4488636 0.5000000), wk = 0.0017699 k( 397) = ( 0.4431818 0.4431818 0.5000000), wk = 0.0017699 k( 398) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0017699 k( 399) = ( 0.4318182 0.4318182 0.5000000), wk = 0.0017699 k( 400) = ( 0.4261364 0.4261364 0.5000000), wk = 0.0017699 k( 401) = ( 0.4204545 0.4204545 0.5000000), wk = 0.0017699 k( 402) = ( 0.4147727 0.4147727 0.5000000), wk = 0.0017699 k( 403) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0017699 k( 404) = ( 0.4034091 0.4034091 0.5000000), wk = 0.0017699 k( 405) = ( 0.3977273 0.3977273 0.5000000), wk = 0.0017699 k( 406) = ( 0.3920455 0.3920455 0.5000000), wk = 0.0017699 k( 407) = ( 0.3863636 0.3863636 0.5000000), wk = 0.0017699 k( 408) = ( 0.3806818 0.3806818 0.5000000), wk = 0.0017699 k( 409) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0017699 k( 410) = ( 0.3693182 0.3693182 0.5000000), wk = 0.0017699 k( 411) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0017699 k( 412) = ( 0.3579545 0.3579545 0.5000000), wk = 0.0017699 k( 413) = ( 0.3522727 0.3522727 0.5000000), wk = 0.0017699 k( 414) = ( 0.3465909 0.3465909 0.5000000), wk = 0.0017699 k( 415) = ( 0.3409091 0.3409091 0.5000000), wk = 0.0017699 k( 416) = ( 0.3352273 0.3352273 0.5000000), wk = 0.0017699 k( 417) = ( 0.3295455 0.3295455 0.5000000), wk = 0.0017699 k( 418) = ( 0.3238636 0.3238636 0.5000000), wk = 0.0017699 k( 419) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0017699 k( 420) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0017699 k( 421) = ( 0.3068182 0.3068182 0.5000000), wk = 0.0017699 k( 422) = ( 0.3011364 0.3011364 0.5000000), wk = 0.0017699 k( 423) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0017699 k( 424) = ( 0.2897727 0.2897727 0.5000000), wk = 0.0017699 k( 425) = ( 0.2840909 0.2840909 0.5000000), wk = 0.0017699 k( 426) = ( 0.2784091 0.2784091 0.5000000), wk = 0.0017699 k( 427) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0017699 k( 428) = ( 0.2670455 0.2670455 0.5000000), wk = 0.0017699 k( 429) = ( 0.2613636 0.2613636 0.5000000), wk = 0.0017699 k( 430) = ( 0.2556818 0.2556818 0.5000000), wk = 0.0017699 k( 431) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0017699 k( 432) = ( 0.2443182 0.2443182 0.5000000), wk = 0.0017699 k( 433) = ( 0.2386364 0.2386364 0.5000000), wk = 0.0017699 k( 434) = ( 0.2329546 0.2329546 0.5000000), wk = 0.0017699 k( 435) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0017699 k( 436) = ( 0.2215909 0.2215909 0.5000000), wk = 0.0017699 k( 437) = ( 0.2159091 0.2159091 0.5000000), wk = 0.0017699 k( 438) = ( 0.2102273 0.2102273 0.5000000), wk = 0.0017699 k( 439) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0017699 k( 440) = ( 0.1988636 0.1988636 0.5000000), wk = 0.0017699 k( 441) = ( 0.1931818 0.1931818 0.5000000), wk = 0.0017699 k( 442) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0017699 k( 443) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0017699 k( 444) = ( 0.1761364 0.1761364 0.5000000), wk = 0.0017699 k( 445) = ( 0.1704546 0.1704546 0.5000000), wk = 0.0017699 k( 446) = ( 0.1647727 0.1647727 0.5000000), wk = 0.0017699 k( 447) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0017699 k( 448) = ( 0.1534091 0.1534091 0.5000000), wk = 0.0017699 k( 449) = ( 0.1477273 0.1477273 0.5000000), wk = 0.0017699 k( 450) = ( 0.1420454 0.1420454 0.5000000), wk = 0.0017699 k( 451) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0017699 k( 452) = ( 0.1306818 0.1306818 0.5000000), wk = 0.0017699 k( 453) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0017699 k( 454) = ( 0.1193182 0.1193182 0.5000000), wk = 0.0017699 k( 455) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0017699 k( 456) = ( 0.1079545 0.1079545 0.5000000), wk = 0.0017699 k( 457) = ( 0.1022727 0.1022727 0.5000000), wk = 0.0017699 k( 458) = ( 0.0965909 0.0965909 0.5000000), wk = 0.0017699 k( 459) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0017699 k( 460) = ( 0.0852273 0.0852273 0.5000000), wk = 0.0017699 k( 461) = ( 0.0795455 0.0795455 0.5000000), wk = 0.0017699 k( 462) = ( 0.0738636 0.0738636 0.5000000), wk = 0.0017699 k( 463) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0017699 k( 464) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0017699 k( 465) = ( 0.0568182 0.0568182 0.5000000), wk = 0.0017699 k( 466) = ( 0.0511364 0.0511364 0.5000000), wk = 0.0017699 k( 467) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0017699 k( 468) = ( 0.0397727 0.0397727 0.5000000), wk = 0.0017699 k( 469) = ( 0.0340909 0.0340909 0.5000000), wk = 0.0017699 k( 470) = ( 0.0284091 0.0284091 0.5000000), wk = 0.0017699 k( 471) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0017699 k( 472) = ( 0.0170455 0.0170455 0.5000000), wk = 0.0017699 k( 473) = ( 0.0113636 0.0113636 0.5000000), wk = 0.0017699 k( 474) = ( 0.0056818 0.0056818 0.5000000), wk = 0.0017699 k( 475) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017699 k( 476) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017699 k( 477) = ( 0.0000000 0.5000000 0.0113636), wk = 0.0017699 k( 478) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0017699 k( 479) = ( 0.0000000 0.5000000 0.0340909), wk = 0.0017699 k( 480) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0017699 k( 481) = ( 0.0000000 0.5000000 0.0568182), wk = 0.0017699 k( 482) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0017699 k( 483) = ( 0.0000000 0.5000000 0.0795455), wk = 0.0017699 k( 484) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0017699 k( 485) = ( 0.0000000 0.5000000 0.1022727), wk = 0.0017699 k( 486) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0017699 k( 487) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0017699 k( 488) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0017699 k( 489) = ( 0.0000000 0.5000000 0.1477273), wk = 0.0017699 k( 490) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0017699 k( 491) = ( 0.0000000 0.5000000 0.1704546), wk = 0.0017699 k( 492) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0017699 k( 493) = ( 0.0000000 0.5000000 0.1931818), wk = 0.0017699 k( 494) = ( 0.0000000 0.5000000 0.2045455), wk = 0.0017699 k( 495) = ( 0.0000000 0.5000000 0.2159091), wk = 0.0017699 k( 496) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0017699 k( 497) = ( 0.0000000 0.5000000 0.2386364), wk = 0.0017699 k( 498) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0017699 k( 499) = ( 0.0000000 0.5000000 0.2613636), wk = 0.0017699 k( 500) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0017699 k( 501) = ( 0.0000000 0.5000000 0.2840909), wk = 0.0017699 k( 502) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0017699 k( 503) = ( 0.0000000 0.5000000 0.3068182), wk = 0.0017699 k( 504) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0017699 k( 505) = ( 0.0000000 0.5000000 0.3295455), wk = 0.0017699 k( 506) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0017699 k( 507) = ( 0.0000000 0.5000000 0.3522727), wk = 0.0017699 k( 508) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0017699 k( 509) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0017699 k( 510) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0017699 k( 511) = ( 0.0000000 0.5000000 0.3977273), wk = 0.0017699 k( 512) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0017699 k( 513) = ( 0.0000000 0.5000000 0.4204545), wk = 0.0017699 k( 514) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0017699 k( 515) = ( 0.0000000 0.5000000 0.4431818), wk = 0.0017699 k( 516) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0017699 k( 517) = ( 0.0000000 0.5000000 0.4659091), wk = 0.0017699 k( 518) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0017699 k( 519) = ( 0.0000000 0.5000000 0.4886364), wk = 0.0017699 k( 520) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017699 k( 521) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0017699 k( 522) = ( 0.5000000 0.5000000 0.0113636), wk = 0.0017699 k( 523) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0017699 k( 524) = ( 0.5000000 0.5000000 0.0340909), wk = 0.0017699 k( 525) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0017699 k( 526) = ( 0.5000000 0.5000000 0.0568182), wk = 0.0017699 k( 527) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0017699 k( 528) = ( 0.5000000 0.5000000 0.0795455), wk = 0.0017699 k( 529) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0017699 k( 530) = ( 0.5000000 0.5000000 0.1022727), wk = 0.0017699 k( 531) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0017699 k( 532) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0017699 k( 533) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0017699 k( 534) = ( 0.5000000 0.5000000 0.1477273), wk = 0.0017699 k( 535) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0017699 k( 536) = ( 0.5000000 0.5000000 0.1704546), wk = 0.0017699 k( 537) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0017699 k( 538) = ( 0.5000000 0.5000000 0.1931818), wk = 0.0017699 k( 539) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0017699 k( 540) = ( 0.5000000 0.5000000 0.2159091), wk = 0.0017699 k( 541) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0017699 k( 542) = ( 0.5000000 0.5000000 0.2386364), wk = 0.0017699 k( 543) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0017699 k( 544) = ( 0.5000000 0.5000000 0.2613636), wk = 0.0017699 k( 545) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0017699 k( 546) = ( 0.5000000 0.5000000 0.2840909), wk = 0.0017699 k( 547) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0017699 k( 548) = ( 0.5000000 0.5000000 0.3068182), wk = 0.0017699 k( 549) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0017699 k( 550) = ( 0.5000000 0.5000000 0.3295455), wk = 0.0017699 k( 551) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0017699 k( 552) = ( 0.5000000 0.5000000 0.3522727), wk = 0.0017699 k( 553) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0017699 k( 554) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0017699 k( 555) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0017699 k( 556) = ( 0.5000000 0.5000000 0.3977273), wk = 0.0017699 k( 557) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0017699 k( 558) = ( 0.5000000 0.5000000 0.4204546), wk = 0.0017699 k( 559) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0017699 k( 560) = ( 0.5000000 0.5000000 0.4431818), wk = 0.0017699 k( 561) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0017699 k( 562) = ( 0.5000000 0.5000000 0.4659091), wk = 0.0017699 k( 563) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0017699 k( 564) = ( 0.5000000 0.5000000 0.4886364), wk = 0.0017699 k( 565) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017699 Dense grid: 15735 G-vectors FFT dimensions: ( 27, 27, 40) Smooth grid: 6225 G-vectors FFT dimensions: ( 24, 24, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 34, 24) NL pseudopotentials 0.01 Mb ( 17, 56) Each V/rho on FFT grid 0.01 Mb ( 729) Each G-vector array 0.00 Mb ( 328) G-vector shells 0.00 Mb ( 170) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 34, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.04 Mb ( 56, 2, 24) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./BC2N.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.6 secs Computing kpt #: 2 total cpu time spent up to now is 39.7 secs Computing kpt #: 3 total cpu time spent up to now is 39.9 secs Computing kpt #: 4 total cpu time spent up to now is 40.1 secs Computing kpt #: 5 total cpu time spent up to now is 40.2 secs Computing kpt #: 6 total cpu time spent up to now is 40.4 secs Computing kpt #: 7 total cpu time spent up to now is 40.6 secs Computing kpt #: 8 total cpu time spent up to now is 40.7 secs Computing kpt #: 9 total cpu time spent up to now is 40.9 secs Computing kpt #: 10 total cpu time spent up to now is 41.1 secs Computing kpt #: 11 total cpu time spent up to now is 41.3 secs Computing kpt #: 12 total cpu time spent up to now is 41.5 secs Computing kpt #: 13 total cpu time spent up to now is 41.6 secs Computing kpt #: 14 total cpu time spent up to now is 41.8 secs Computing kpt #: 15 total cpu time spent up to now is 42.0 secs Computing kpt #: 16 total cpu time spent up to now is 42.2 secs Computing kpt #: 17 total cpu time spent up to now is 42.3 secs Computing kpt #: 18 total cpu time spent up to now is 42.5 secs Computing kpt #: 19 total cpu time spent up to now is 42.7 secs Computing kpt #: 20 total cpu time spent up to now is 42.9 secs Computing kpt #: 21 total cpu time spent up to now is 43.0 secs Computing kpt #: 22 total cpu time spent up to now is 43.2 secs Computing kpt #: 23 total cpu time spent up to now is 43.4 secs Computing kpt #: 24 total cpu time spent up to now is 43.6 secs Computing kpt #: 25 total cpu time spent up to now is 43.7 secs Computing kpt #: 26 total cpu time spent up to now is 43.9 secs Computing kpt #: 27 total cpu time spent up to now is 44.1 secs Computing kpt #: 28 total cpu time spent up to now is 44.3 secs Computing kpt #: 29 total cpu time spent up to now is 44.5 secs Computing kpt #: 30 total cpu time spent up to now is 44.6 secs Computing kpt #: 31 total cpu time spent up to now is 44.8 secs Computing kpt #: 32 total cpu time spent up to now is 45.0 secs Computing kpt #: 33 total cpu time spent up to now is 45.1 secs Computing kpt #: 34 total cpu time spent up to now is 45.3 secs Computing kpt #: 35 total cpu time spent up to now is 45.5 secs Computing kpt #: 36 total cpu time spent up to now is 45.7 secs Computing kpt #: 37 total cpu time spent up to now is 45.9 secs Computing kpt #: 38 total cpu time spent up to now is 46.1 secs Computing kpt #: 39 total cpu time spent up to now is 46.2 secs Computing kpt #: 40 total cpu time spent up to now is 46.4 secs Computing kpt #: 41 total cpu time spent up to now is 46.6 secs Computing kpt #: 42 total cpu time spent up to now is 46.8 secs Computing kpt #: 43 total cpu time spent up to now is 47.0 secs Computing kpt #: 44 total cpu time spent up to now is 47.2 secs Computing kpt #: 45 total cpu time spent up to now is 47.3 secs Computing kpt #: 46 total cpu time spent up to now is 47.5 secs Computing kpt #: 47 total cpu time spent up to now is 47.7 secs Computing kpt #: 48 total cpu time spent up to now is 47.9 secs Computing kpt #: 49 total cpu time spent up to now is 48.0 secs Computing kpt #: 50 total cpu time spent up to now is 48.2 secs Computing kpt #: 51 total cpu time spent up to now is 48.4 secs Computing kpt #: 52 total cpu time spent up to now is 48.6 secs Computing kpt #: 53 total cpu time spent up to now is 48.8 secs Computing kpt #: 54 total cpu time spent up to now is 48.9 secs Computing kpt #: 55 total cpu time spent up to now is 49.1 secs Computing kpt #: 56 total cpu time spent up to now is 49.3 secs Computing kpt #: 57 total cpu time spent up to now is 49.5 secs Computing kpt #: 58 total cpu time spent up to now is 49.6 secs Computing kpt #: 59 total cpu time spent up to now is 49.8 secs Computing kpt #: 60 total cpu time spent up to now is 50.0 secs Computing kpt #: 61 total cpu time spent up to now is 50.2 secs Computing kpt #: 62 total cpu time spent up to now is 50.3 secs Computing kpt #: 63 total cpu time spent up to now is 50.5 secs Computing kpt #: 64 total cpu time spent up to now is 50.8 secs Computing kpt #: 65 total cpu time spent up to now is 51.0 secs Computing kpt #: 66 total cpu time spent up to now is 51.1 secs Computing kpt #: 67 total cpu time spent up to now is 51.4 secs Computing kpt #: 68 total cpu time spent up to now is 51.7 secs Computing kpt #: 69 total cpu time spent up to now is 51.9 secs Computing kpt #: 70 total cpu time spent up to now is 52.1 secs Computing kpt #: 71 total cpu time spent up to now is 52.3 secs Computing kpt #: 72 total cpu time spent up to now is 52.5 secs Computing kpt #: 73 total cpu time spent up to now is 52.8 secs Computing kpt #: 74 total cpu time spent up to now is 53.0 secs Computing kpt #: 75 total cpu time spent up to now is 53.3 secs Computing kpt #: 76 total cpu time spent up to now is 53.6 secs Computing kpt #: 77 total cpu time spent up to now is 53.8 secs Computing kpt #: 78 total cpu time spent up to now is 54.1 secs Computing kpt #: 79 total cpu time spent up to now is 54.5 secs Computing kpt #: 80 total cpu time spent up to now is 54.7 secs Computing kpt #: 81 total cpu time spent up to now is 54.9 secs Computing kpt #: 82 total cpu time spent up to now is 55.2 secs Computing kpt #: 83 total cpu time spent up to now is 55.4 secs Computing kpt #: 84 total cpu time spent up to now is 55.6 secs Computing kpt #: 85 total cpu time spent up to now is 55.7 secs Computing kpt #: 86 total cpu time spent up to now is 55.9 secs Computing kpt #: 87 total cpu time spent up to now is 56.1 secs Computing kpt #: 88 total cpu time spent up to now is 56.3 secs Computing kpt #: 89 total cpu time spent up to now is 56.5 secs Computing kpt #: 90 total cpu time spent up to now is 56.8 secs Computing kpt #: 91 total cpu time spent up to now is 57.0 secs Computing kpt #: 92 total cpu time spent up to now is 57.2 secs Computing kpt #: 93 total cpu time spent up to now is 57.5 secs Computing kpt #: 94 total cpu time spent up to now is 57.8 secs Computing kpt #: 95 total cpu time spent up to now is 58.1 secs Computing kpt #: 96 total cpu time spent up to now is 58.2 secs Computing kpt #: 97 total cpu time spent up to now is 58.4 secs Computing kpt #: 98 total cpu time spent up to now is 58.6 secs Computing kpt #: 99 total cpu time spent up to now is 58.8 secs Computing kpt #: 100 total cpu time spent up to now is 59.0 secs Computing kpt #: 101 total cpu time spent up to now is 59.2 secs Computing kpt #: 102 total cpu time spent up to now is 59.4 secs Computing kpt #: 103 total cpu time spent up to now is 59.6 secs Computing kpt #: 104 total cpu time spent up to now is 59.8 secs Computing kpt #: 105 total cpu time spent up to now is 60.0 secs Computing kpt #: 106 total cpu time spent up to now is 60.1 secs Computing kpt #: 107 total cpu time spent up to now is 60.3 secs Computing kpt #: 108 total cpu time spent up to now is 60.5 secs Computing kpt #: 109 total cpu time spent up to now is 60.7 secs Computing kpt #: 110 total cpu time spent up to now is 60.9 secs Computing kpt #: 111 total cpu time spent up to now is 61.1 secs Computing kpt #: 112 total cpu time spent up to now is 61.3 secs Computing kpt #: 113 total cpu time spent up to now is 61.5 secs Computing kpt #: 114 total cpu time spent up to now is 61.7 secs Computing kpt #: 115 total cpu time spent up to now is 62.1 secs Computing kpt #: 116 total cpu time spent up to now is 62.3 secs Computing kpt #: 117 total cpu time spent up to now is 62.6 secs Computing kpt #: 118 total cpu time spent up to now is 62.9 secs Computing kpt #: 119 total cpu time spent up to now is 63.2 secs Computing kpt #: 120 total cpu time spent up to now is 63.4 secs Computing kpt #: 121 total cpu time spent up to now is 63.7 secs Computing kpt #: 122 total cpu time spent up to now is 63.9 secs Computing kpt #: 123 total cpu time spent up to now is 64.3 secs Computing kpt #: 124 total cpu time spent up to now is 64.9 secs Computing kpt #: 125 total cpu time spent up to now is 65.3 secs Computing kpt #: 126 total cpu time spent up to now is 65.9 secs Computing kpt #: 127 total cpu time spent up to now is 66.3 secs Computing kpt #: 128 total cpu time spent up to now is 66.5 secs Computing kpt #: 129 total cpu time spent up to now is 66.8 secs Computing kpt #: 130 total cpu time spent up to now is 67.1 secs Computing kpt #: 131 total cpu time spent up to now is 67.3 secs Computing kpt #: 132 total cpu time spent up to now is 67.5 secs Computing kpt #: 133 total cpu time spent up to now is 67.8 secs Computing kpt #: 134 total cpu time spent up to now is 68.1 secs Computing kpt #: 135 total cpu time spent up to now is 68.4 secs Computing kpt #: 136 total cpu time spent up to now is 68.6 secs Computing kpt #: 137 total cpu time spent up to now is 68.8 secs Computing kpt #: 138 total cpu time spent up to now is 69.0 secs Computing kpt #: 139 total cpu time spent up to now is 69.1 secs Computing kpt #: 140 total cpu time spent up to now is 69.3 secs Computing kpt #: 141 total cpu time spent up to now is 69.5 secs Computing kpt #: 142 total cpu time spent up to now is 69.7 secs Computing kpt #: 143 total cpu time spent up to now is 69.9 secs Computing kpt #: 144 total cpu time spent up to now is 70.1 secs Computing kpt #: 145 total cpu time spent up to now is 70.3 secs Computing kpt #: 146 total cpu time spent up to now is 70.5 secs Computing kpt #: 147 total cpu time spent up to now is 70.7 secs Computing kpt #: 148 total cpu time spent up to now is 70.9 secs Computing kpt #: 149 total cpu time spent up to now is 71.1 secs Computing kpt #: 150 total cpu time spent up to now is 71.4 secs Computing kpt #: 151 total cpu time spent up to now is 71.6 secs Computing kpt #: 152 total cpu time spent up to now is 71.9 secs Computing kpt #: 153 total cpu time spent up to now is 72.2 secs Computing kpt #: 154 total cpu time spent up to now is 72.5 secs Computing kpt #: 155 total cpu time spent up to now is 72.8 secs Computing kpt #: 156 total cpu time spent up to now is 73.1 secs Computing kpt #: 157 total cpu time spent up to now is 73.3 secs Computing kpt #: 158 total cpu time spent up to now is 73.5 secs Computing kpt #: 159 total cpu time spent up to now is 73.9 secs Computing kpt #: 160 total cpu time spent up to now is 74.3 secs Computing kpt #: 161 total cpu time spent up to now is 74.5 secs Computing kpt #: 162 total cpu time spent up to now is 74.7 secs Computing kpt #: 163 total cpu time spent up to now is 75.0 secs Computing kpt #: 164 total cpu time spent up to now is 75.3 secs Computing kpt #: 165 total cpu time spent up to now is 75.6 secs Computing kpt #: 166 total cpu time spent up to now is 75.8 secs Computing kpt #: 167 total cpu time spent up to now is 76.2 secs Computing kpt #: 168 total cpu time spent up to now is 76.4 secs Computing kpt #: 169 total cpu time spent up to now is 76.6 secs Computing kpt #: 170 total cpu time spent up to now is 76.8 secs Computing kpt #: 171 total cpu time spent up to now is 77.0 secs Computing kpt #: 172 total cpu time spent up to now is 77.2 secs Computing kpt #: 173 total cpu time spent up to now is 77.4 secs Computing kpt #: 174 total cpu time spent up to now is 77.6 secs Computing kpt #: 175 total cpu time spent up to now is 77.8 secs Computing kpt #: 176 total cpu time spent up to now is 78.0 secs Computing kpt #: 177 total cpu time spent up to now is 78.3 secs Computing kpt #: 178 total cpu time spent up to now is 78.5 secs Computing kpt #: 179 total cpu time spent up to now is 78.8 secs Computing kpt #: 180 total cpu time spent up to now is 79.0 secs Computing kpt #: 181 total cpu time spent up to now is 79.2 secs Computing kpt #: 182 total cpu time spent up to now is 79.5 secs Computing kpt #: 183 total cpu time spent up to now is 79.7 secs Computing kpt #: 184 total cpu time spent up to now is 79.9 secs Computing kpt #: 185 total cpu time spent up to now is 80.2 secs Computing kpt #: 186 total cpu time spent up to now is 80.3 secs Computing kpt #: 187 total cpu time spent up to now is 80.5 secs Computing kpt #: 188 total cpu time spent up to now is 80.7 secs Computing kpt #: 189 total cpu time spent up to now is 81.0 secs Computing kpt #: 190 total cpu time spent up to now is 81.2 secs Computing kpt #: 191 total cpu time spent up to now is 81.4 secs Computing kpt #: 192 total cpu time spent up to now is 81.7 secs Computing kpt #: 193 total cpu time spent up to now is 82.0 secs Computing kpt #: 194 total cpu time spent up to now is 82.3 secs Computing kpt #: 195 total cpu time spent up to now is 82.5 secs Computing kpt #: 196 total cpu time spent up to now is 83.0 secs Computing kpt #: 197 total cpu time spent up to now is 83.2 secs Computing kpt #: 198 total cpu time spent up to now is 83.6 secs Computing kpt #: 199 total cpu time spent up to now is 84.0 secs Computing kpt #: 200 total cpu time spent up to now is 84.2 secs Computing kpt #: 201 total cpu time spent up to now is 84.4 secs Computing kpt #: 202 total cpu time spent up to now is 84.6 secs Computing kpt #: 203 total cpu time spent up to now is 84.8 secs Computing kpt #: 204 total cpu time spent up to now is 85.0 secs Computing kpt #: 205 total cpu time spent up to now is 85.2 secs Computing kpt #: 206 total cpu time spent up to now is 85.4 secs Computing kpt #: 207 total cpu time spent up to now is 85.7 secs Computing kpt #: 208 total cpu time spent up to now is 85.8 secs Computing kpt #: 209 total cpu time spent up to now is 86.1 secs Computing kpt #: 210 total cpu time spent up to now is 86.4 secs Computing kpt #: 211 total cpu time spent up to now is 86.5 secs Computing kpt #: 212 total cpu time spent up to now is 86.7 secs Computing kpt #: 213 total cpu time spent up to now is 86.9 secs Computing kpt #: 214 total cpu time spent up to now is 87.0 secs Computing kpt #: 215 total cpu time spent up to now is 87.2 secs Computing kpt #: 216 total cpu time spent up to now is 87.4 secs Computing kpt #: 217 total cpu time spent up to now is 87.7 secs Computing kpt #: 218 total cpu time spent up to now is 87.8 secs Computing kpt #: 219 total cpu time spent up to now is 88.1 secs Computing kpt #: 220 total cpu time spent up to now is 88.3 secs Computing kpt #: 221 total cpu time spent up to now is 88.5 secs Computing kpt #: 222 total cpu time spent up to now is 88.7 secs Computing kpt #: 223 total cpu time spent up to now is 89.0 secs Computing kpt #: 224 total cpu time spent up to now is 89.2 secs Computing kpt #: 225 total cpu time spent up to now is 89.5 secs Computing kpt #: 226 total cpu time spent up to now is 89.7 secs Computing kpt #: 227 total cpu time spent up to now is 89.9 secs Computing kpt #: 228 total cpu time spent up to now is 90.3 secs Computing kpt #: 229 total cpu time spent up to now is 90.5 secs Computing kpt #: 230 total cpu time spent up to now is 90.7 secs Computing kpt #: 231 total cpu time spent up to now is 90.8 secs Computing kpt #: 232 total cpu time spent up to now is 91.0 secs Computing kpt #: 233 total cpu time spent up to now is 91.2 secs Computing kpt #: 234 total cpu time spent up to now is 91.4 secs Computing kpt #: 235 total cpu time spent up to now is 91.5 secs Computing kpt #: 236 total cpu time spent up to now is 91.7 secs Computing kpt #: 237 total cpu time spent up to now is 91.9 secs Computing kpt #: 238 total cpu time spent up to now is 92.1 secs Computing kpt #: 239 total cpu time spent up to now is 92.4 secs Computing kpt #: 240 total cpu time spent up to now is 92.7 secs Computing kpt #: 241 total cpu time spent up to now is 92.9 secs Computing kpt #: 242 total cpu time spent up to now is 93.1 secs Computing kpt #: 243 total cpu time spent up to now is 93.4 secs Computing kpt #: 244 total cpu time spent up to now is 93.7 secs Computing kpt #: 245 total cpu time spent up to now is 94.0 secs Computing kpt #: 246 total cpu time spent up to now is 94.2 secs Computing kpt #: 247 total cpu time spent up to now is 94.5 secs Computing kpt #: 248 total cpu time spent up to now is 94.7 secs Computing kpt #: 249 total cpu time spent up to now is 95.0 secs Computing kpt #: 250 total cpu time spent up to now is 95.2 secs Computing kpt #: 251 total cpu time spent up to now is 95.4 secs Computing kpt #: 252 total cpu time spent up to now is 95.6 secs Computing kpt #: 253 total cpu time spent up to now is 95.8 secs Computing kpt #: 254 total cpu time spent up to now is 96.0 secs Computing kpt #: 255 total cpu time spent up to now is 96.2 secs Computing kpt #: 256 total cpu time spent up to now is 96.3 secs Computing kpt #: 257 total cpu time spent up to now is 96.5 secs Computing kpt #: 258 total cpu time spent up to now is 96.7 secs Computing kpt #: 259 total cpu time spent up to now is 96.9 secs Computing kpt #: 260 total cpu time spent up to now is 97.0 secs Computing kpt #: 261 total cpu time spent up to now is 97.3 secs Computing kpt #: 262 total cpu time spent up to now is 97.5 secs Computing kpt #: 263 total cpu time spent up to now is 97.7 secs Computing kpt #: 264 total cpu time spent up to now is 97.9 secs Computing kpt #: 265 total cpu time spent up to now is 98.1 secs Computing kpt #: 266 total cpu time spent up to now is 98.3 secs Computing kpt #: 267 total cpu time spent up to now is 98.5 secs Computing kpt #: 268 total cpu time spent up to now is 98.7 secs Computing kpt #: 269 total cpu time spent up to now is 99.0 secs Computing kpt #: 270 total cpu time spent up to now is 99.3 secs Computing kpt #: 271 total cpu time spent up to now is 99.5 secs Computing kpt #: 272 total cpu time spent up to now is 99.7 secs Computing kpt #: 273 total cpu time spent up to now is 100.0 secs Computing kpt #: 274 total cpu time spent up to now is 100.5 secs Computing kpt #: 275 total cpu time spent up to now is 100.7 secs Computing kpt #: 276 total cpu time spent up to now is 100.9 secs Computing kpt #: 277 total cpu time spent up to now is 101.1 secs Computing kpt #: 278 total cpu time spent up to now is 101.3 secs Computing kpt #: 279 total cpu time spent up to now is 101.5 secs Computing kpt #: 280 total cpu time spent up to now is 101.7 secs Computing kpt #: 281 total cpu time spent up to now is 101.8 secs Computing kpt #: 282 total cpu time spent up to now is 102.0 secs Computing kpt #: 283 total cpu time spent up to now is 102.2 secs Computing kpt #: 284 total cpu time spent up to now is 102.4 secs Computing kpt #: 285 total cpu time spent up to now is 102.5 secs Computing kpt #: 286 total cpu time spent up to now is 102.7 secs Computing kpt #: 287 total cpu time spent up to now is 102.9 secs Computing kpt #: 288 total cpu time spent up to now is 103.2 secs Computing kpt #: 289 total cpu time spent up to now is 103.3 secs Computing kpt #: 290 total cpu time spent up to now is 103.5 secs Computing kpt #: 291 total cpu time spent up to now is 103.7 secs Computing kpt #: 292 total cpu time spent up to now is 103.9 secs Computing kpt #: 293 total cpu time spent up to now is 104.0 secs Computing kpt #: 294 total cpu time spent up to now is 104.2 secs Computing kpt #: 295 total cpu time spent up to now is 104.4 secs Computing kpt #: 296 total cpu time spent up to now is 104.6 secs Computing kpt #: 297 total cpu time spent up to now is 104.7 secs Computing kpt #: 298 total cpu time spent up to now is 104.9 secs Computing kpt #: 299 total cpu time spent up to now is 105.1 secs Computing kpt #: 300 total cpu time spent up to now is 105.5 secs Computing kpt #: 301 total cpu time spent up to now is 105.7 secs Computing kpt #: 302 total cpu time spent up to now is 105.8 secs Computing kpt #: 303 total cpu time spent up to now is 106.0 secs Computing kpt #: 304 total cpu time spent up to now is 106.4 secs Computing kpt #: 305 total cpu time spent up to now is 106.7 secs Computing kpt #: 306 total cpu time spent up to now is 106.9 secs Computing kpt #: 307 total cpu time spent up to now is 107.3 secs Computing kpt #: 308 total cpu time spent up to now is 107.8 secs Computing kpt #: 309 total cpu time spent up to now is 108.2 secs Computing kpt #: 310 total cpu time spent up to now is 108.6 secs Computing kpt #: 311 total cpu time spent up to now is 109.0 secs Computing kpt #: 312 total cpu time spent up to now is 109.5 secs Computing kpt #: 313 total cpu time spent up to now is 109.9 secs Computing kpt #: 314 total cpu time spent up to now is 110.3 secs Computing kpt #: 315 total cpu time spent up to now is 110.7 secs Computing kpt #: 316 total cpu time spent up to now is 110.9 secs Computing kpt #: 317 total cpu time spent up to now is 111.0 secs Computing kpt #: 318 total cpu time spent up to now is 111.2 secs Computing kpt #: 319 total cpu time spent up to now is 111.4 secs Computing kpt #: 320 total cpu time spent up to now is 111.6 secs Computing kpt #: 321 total cpu time spent up to now is 111.8 secs Computing kpt #: 322 total cpu time spent up to now is 112.0 secs Computing kpt #: 323 total cpu time spent up to now is 112.3 secs Computing kpt #: 324 total cpu time spent up to now is 112.5 secs Computing kpt #: 325 total cpu time spent up to now is 112.7 secs Computing kpt #: 326 total cpu time spent up to now is 112.8 secs Computing kpt #: 327 total cpu time spent up to now is 113.0 secs Computing kpt #: 328 total cpu time spent up to now is 113.2 secs Computing kpt #: 329 total cpu time spent up to now is 113.3 secs Computing kpt #: 330 total cpu time spent up to now is 113.5 secs Computing kpt #: 331 total cpu time spent up to now is 113.7 secs Computing kpt #: 332 total cpu time spent up to now is 113.8 secs Computing kpt #: 333 total cpu time spent up to now is 114.0 secs Computing kpt #: 334 total cpu time spent up to now is 114.2 secs Computing kpt #: 335 total cpu time spent up to now is 114.3 secs Computing kpt #: 336 total cpu time spent up to now is 114.5 secs Computing kpt #: 337 total cpu time spent up to now is 114.7 secs Computing kpt #: 338 total cpu time spent up to now is 114.9 secs Computing kpt #: 339 total cpu time spent up to now is 115.0 secs Computing kpt #: 340 total cpu time spent up to now is 115.2 secs Computing kpt #: 341 total cpu time spent up to now is 115.4 secs Computing kpt #: 342 total cpu time spent up to now is 115.6 secs Computing kpt #: 343 total cpu time spent up to now is 115.8 secs Computing kpt #: 344 total cpu time spent up to now is 115.9 secs Computing kpt #: 345 total cpu time spent up to now is 116.2 secs Computing kpt #: 346 total cpu time spent up to now is 116.4 secs Computing kpt #: 347 total cpu time spent up to now is 116.6 secs Computing kpt #: 348 total cpu time spent up to now is 116.9 secs Computing kpt #: 349 total cpu time spent up to now is 117.1 secs Computing kpt #: 350 total cpu time spent up to now is 117.4 secs Computing kpt #: 351 total cpu time spent up to now is 117.6 secs Computing kpt #: 352 total cpu time spent up to now is 117.8 secs Computing kpt #: 353 total cpu time spent up to now is 118.1 secs Computing kpt #: 354 total cpu time spent up to now is 118.4 secs Computing kpt #: 355 total cpu time spent up to now is 118.8 secs Computing kpt #: 356 total cpu time spent up to now is 119.1 secs Computing kpt #: 357 total cpu time spent up to now is 119.2 secs Computing kpt #: 358 total cpu time spent up to now is 119.4 secs Computing kpt #: 359 total cpu time spent up to now is 119.6 secs Computing kpt #: 360 total cpu time spent up to now is 119.8 secs Computing kpt #: 361 total cpu time spent up to now is 120.1 secs Computing kpt #: 362 total cpu time spent up to now is 120.3 secs Computing kpt #: 363 total cpu time spent up to now is 120.5 secs Computing kpt #: 364 total cpu time spent up to now is 120.7 secs Computing kpt #: 365 total cpu time spent up to now is 121.0 secs Computing kpt #: 366 total cpu time spent up to now is 121.2 secs Computing kpt #: 367 total cpu time spent up to now is 121.4 secs Computing kpt #: 368 total cpu time spent up to now is 121.6 secs Computing kpt #: 369 total cpu time spent up to now is 121.8 secs Computing kpt #: 370 total cpu time spent up to now is 122.0 secs Computing kpt #: 371 total cpu time spent up to now is 122.2 secs Computing kpt #: 372 total cpu time spent up to now is 122.5 secs Computing kpt #: 373 total cpu time spent up to now is 122.7 secs Computing kpt #: 374 total cpu time spent up to now is 122.9 secs Computing kpt #: 375 total cpu time spent up to now is 123.2 secs Computing kpt #: 376 total cpu time spent up to now is 123.4 secs Computing kpt #: 377 total cpu time spent up to now is 123.6 secs Computing kpt #: 378 total cpu time spent up to now is 123.8 secs Computing kpt #: 379 total cpu time spent up to now is 124.0 secs Computing kpt #: 380 total cpu time spent up to now is 124.3 secs Computing kpt #: 381 total cpu time spent up to now is 124.6 secs Computing kpt #: 382 total cpu time spent up to now is 124.8 secs Computing kpt #: 383 total cpu time spent up to now is 125.0 secs Computing kpt #: 384 total cpu time spent up to now is 125.2 secs Computing kpt #: 385 total cpu time spent up to now is 125.4 secs Computing kpt #: 386 total cpu time spent up to now is 125.6 secs Computing kpt #: 387 total cpu time spent up to now is 125.8 secs Computing kpt #: 388 total cpu time spent up to now is 125.9 secs Computing kpt #: 389 total cpu time spent up to now is 126.1 secs Computing kpt #: 390 total cpu time spent up to now is 126.3 secs Computing kpt #: 391 total cpu time spent up to now is 126.6 secs Computing kpt #: 392 total cpu time spent up to now is 126.8 secs Computing kpt #: 393 total cpu time spent up to now is 127.0 secs Computing kpt #: 394 total cpu time spent up to now is 127.2 secs Computing kpt #: 395 total cpu time spent up to now is 127.4 secs Computing kpt #: 396 total cpu time spent up to now is 127.6 secs Computing kpt #: 397 total cpu time spent up to now is 127.8 secs Computing kpt #: 398 total cpu time spent up to now is 127.9 secs Computing kpt #: 399 total cpu time spent up to now is 128.4 secs Computing kpt #: 400 total cpu time spent up to now is 128.7 secs Computing kpt #: 401 total cpu time spent up to now is 129.2 secs Computing kpt #: 402 total cpu time spent up to now is 129.8 secs Computing kpt #: 403 total cpu time spent up to now is 130.3 secs Computing kpt #: 404 total cpu time spent up to now is 130.8 secs Computing kpt #: 405 total cpu time spent up to now is 131.3 secs Computing kpt #: 406 total cpu time spent up to now is 131.6 secs Computing kpt #: 407 total cpu time spent up to now is 131.8 secs Computing kpt #: 408 total cpu time spent up to now is 132.0 secs Computing kpt #: 409 total cpu time spent up to now is 132.2 secs Computing kpt #: 410 total cpu time spent up to now is 132.4 secs Computing kpt #: 411 total cpu time spent up to now is 132.6 secs Computing kpt #: 412 total cpu time spent up to now is 132.8 secs Computing kpt #: 413 total cpu time spent up to now is 132.9 secs Computing kpt #: 414 total cpu time spent up to now is 133.1 secs Computing kpt #: 415 total cpu time spent up to now is 133.3 secs Computing kpt #: 416 total cpu time spent up to now is 133.5 secs Computing kpt #: 417 total cpu time spent up to now is 133.7 secs Computing kpt #: 418 total cpu time spent up to now is 133.8 secs Computing kpt #: 419 total cpu time spent up to now is 134.0 secs Computing kpt #: 420 total cpu time spent up to now is 134.2 secs Computing kpt #: 421 total cpu time spent up to now is 134.4 secs Computing kpt #: 422 total cpu time spent up to now is 134.7 secs Computing kpt #: 423 total cpu time spent up to now is 135.0 secs Computing kpt #: 424 total cpu time spent up to now is 135.2 secs Computing kpt #: 425 total cpu time spent up to now is 135.5 secs Computing kpt #: 426 total cpu time spent up to now is 135.9 secs Computing kpt #: 427 total cpu time spent up to now is 136.1 secs Computing kpt #: 428 total cpu time spent up to now is 136.3 secs Computing kpt #: 429 total cpu time spent up to now is 136.7 secs Computing kpt #: 430 total cpu time spent up to now is 137.1 secs Computing kpt #: 431 total cpu time spent up to now is 137.6 secs Computing kpt #: 432 total cpu time spent up to now is 137.9 secs Computing kpt #: 433 total cpu time spent up to now is 138.4 secs Computing kpt #: 434 total cpu time spent up to now is 138.6 secs Computing kpt #: 435 total cpu time spent up to now is 138.9 secs Computing kpt #: 436 total cpu time spent up to now is 139.1 secs Computing kpt #: 437 total cpu time spent up to now is 139.3 secs Computing kpt #: 438 total cpu time spent up to now is 139.6 secs Computing kpt #: 439 total cpu time spent up to now is 140.3 secs Computing kpt #: 440 total cpu time spent up to now is 141.1 secs Computing kpt #: 441 total cpu time spent up to now is 141.4 secs Computing kpt #: 442 total cpu time spent up to now is 141.7 secs Computing kpt #: 443 total cpu time spent up to now is 142.1 secs Computing kpt #: 444 total cpu time spent up to now is 142.4 secs Computing kpt #: 445 total cpu time spent up to now is 142.7 secs Computing kpt #: 446 total cpu time spent up to now is 143.1 secs Computing kpt #: 447 total cpu time spent up to now is 143.4 secs Computing kpt #: 448 total cpu time spent up to now is 143.7 secs Computing kpt #: 449 total cpu time spent up to now is 144.0 secs Computing kpt #: 450 total cpu time spent up to now is 144.2 secs Computing kpt #: 451 total cpu time spent up to now is 144.4 secs Computing kpt #: 452 total cpu time spent up to now is 144.6 secs Computing kpt #: 453 total cpu time spent up to now is 144.8 secs Computing kpt #: 454 total cpu time spent up to now is 145.0 secs Computing kpt #: 455 total cpu time spent up to now is 145.2 secs Computing kpt #: 456 total cpu time spent up to now is 145.7 secs Computing kpt #: 457 total cpu time spent up to now is 145.9 secs Computing kpt #: 458 total cpu time spent up to now is 146.3 secs Computing kpt #: 459 total cpu time spent up to now is 146.6 secs Computing kpt #: 460 total cpu time spent up to now is 146.8 secs Computing kpt #: 461 total cpu time spent up to now is 147.0 secs Computing kpt #: 462 total cpu time spent up to now is 147.2 secs Computing kpt #: 463 total cpu time spent up to now is 147.4 secs Computing kpt #: 464 total cpu time spent up to now is 147.7 secs Computing kpt #: 465 total cpu time spent up to now is 147.9 secs Computing kpt #: 466 total cpu time spent up to now is 148.1 secs Computing kpt #: 467 total cpu time spent up to now is 148.3 secs Computing kpt #: 468 total cpu time spent up to now is 148.5 secs Computing kpt #: 469 total cpu time spent up to now is 148.7 secs Computing kpt #: 470 total cpu time spent up to now is 148.9 secs Computing kpt #: 471 total cpu time spent up to now is 149.2 secs Computing kpt #: 472 total cpu time spent up to now is 149.5 secs Computing kpt #: 473 total cpu time spent up to now is 149.7 secs Computing kpt #: 474 total cpu time spent up to now is 149.9 secs Computing kpt #: 475 total cpu time spent up to now is 150.1 secs Computing kpt #: 476 total cpu time spent up to now is 150.3 secs Computing kpt #: 477 total cpu time spent up to now is 150.4 secs Computing kpt #: 478 total cpu time spent up to now is 150.6 secs Computing kpt #: 479 total cpu time spent up to now is 150.8 secs Computing kpt #: 480 total cpu time spent up to now is 151.0 secs Computing kpt #: 481 total cpu time spent up to now is 151.1 secs Computing kpt #: 482 total cpu time spent up to now is 151.3 secs Computing kpt #: 483 total cpu time spent up to now is 151.5 secs Computing kpt #: 484 total cpu time spent up to now is 151.7 secs Computing kpt #: 485 total cpu time spent up to now is 151.8 secs Computing kpt #: 486 total cpu time spent up to now is 152.0 secs Computing kpt #: 487 total cpu time spent up to now is 152.2 secs Computing kpt #: 488 total cpu time spent up to now is 152.4 secs Computing kpt #: 489 total cpu time spent up to now is 152.6 secs Computing kpt #: 490 total cpu time spent up to now is 152.8 secs Computing kpt #: 491 total cpu time spent up to now is 153.1 secs Computing kpt #: 492 total cpu time spent up to now is 153.4 secs Computing kpt #: 493 total cpu time spent up to now is 153.7 secs Computing kpt #: 494 total cpu time spent up to now is 154.0 secs Computing kpt #: 495 total cpu time spent up to now is 154.2 secs Computing kpt #: 496 total cpu time spent up to now is 154.5 secs Computing kpt #: 497 total cpu time spent up to now is 154.8 secs Computing kpt #: 498 total cpu time spent up to now is 155.1 secs Computing kpt #: 499 total cpu time spent up to now is 155.4 secs Computing kpt #: 500 total cpu time spent up to now is 155.8 secs Computing kpt #: 501 total cpu time spent up to now is 156.0 secs Computing kpt #: 502 total cpu time spent up to now is 156.2 secs Computing kpt #: 503 total cpu time spent up to now is 156.4 secs Computing kpt #: 504 total cpu time spent up to now is 156.6 secs Computing kpt #: 505 total cpu time spent up to now is 156.8 secs Computing kpt #: 506 total cpu time spent up to now is 157.0 secs Computing kpt #: 507 total cpu time spent up to now is 157.2 secs Computing kpt #: 508 total cpu time spent up to now is 157.4 secs Computing kpt #: 509 total cpu time spent up to now is 157.6 secs Computing kpt #: 510 total cpu time spent up to now is 157.7 secs Computing kpt #: 511 total cpu time spent up to now is 157.9 secs Computing kpt #: 512 total cpu time spent up to now is 158.1 secs Computing kpt #: 513 total cpu time spent up to now is 158.3 secs Computing kpt #: 514 total cpu time spent up to now is 158.6 secs Computing kpt #: 515 total cpu time spent up to now is 158.8 secs Computing kpt #: 516 total cpu time spent up to now is 159.1 secs Computing kpt #: 517 total cpu time spent up to now is 159.3 secs Computing kpt #: 518 total cpu time spent up to now is 159.6 secs Computing kpt #: 519 total cpu time spent up to now is 159.7 secs Computing kpt #: 520 total cpu time spent up to now is 160.0 secs Computing kpt #: 521 total cpu time spent up to now is 160.2 secs Computing kpt #: 522 total cpu time spent up to now is 160.7 secs Computing kpt #: 523 total cpu time spent up to now is 161.0 secs Computing kpt #: 524 total cpu time spent up to now is 161.2 secs Computing kpt #: 525 total cpu time spent up to now is 161.4 secs Computing kpt #: 526 total cpu time spent up to now is 161.6 secs Computing kpt #: 527 total cpu time spent up to now is 161.7 secs Computing kpt #: 528 total cpu time spent up to now is 161.9 secs Computing kpt #: 529 total cpu time spent up to now is 162.1 secs Computing kpt #: 530 total cpu time spent up to now is 162.3 secs Computing kpt #: 531 total cpu time spent up to now is 162.5 secs Computing kpt #: 532 total cpu time spent up to now is 162.7 secs Computing kpt #: 533 total cpu time spent up to now is 162.9 secs Computing kpt #: 534 total cpu time spent up to now is 163.1 secs Computing kpt #: 535 total cpu time spent up to now is 163.3 secs Computing kpt #: 536 total cpu time spent up to now is 163.4 secs Computing kpt #: 537 total cpu time spent up to now is 163.6 secs Computing kpt #: 538 total cpu time spent up to now is 163.8 secs Computing kpt #: 539 total cpu time spent up to now is 164.0 secs Computing kpt #: 540 total cpu time spent up to now is 164.3 secs Computing kpt #: 541 total cpu time spent up to now is 164.5 secs Computing kpt #: 542 total cpu time spent up to now is 164.8 secs Computing kpt #: 543 total cpu time spent up to now is 165.0 secs Computing kpt #: 544 total cpu time spent up to now is 165.3 secs Computing kpt #: 545 total cpu time spent up to now is 165.5 secs Computing kpt #: 546 total cpu time spent up to now is 165.8 secs Computing kpt #: 547 total cpu time spent up to now is 166.2 secs Computing kpt #: 548 total cpu time spent up to now is 166.5 secs Computing kpt #: 549 total cpu time spent up to now is 166.8 secs Computing kpt #: 550 total cpu time spent up to now is 166.9 secs Computing kpt #: 551 total cpu time spent up to now is 167.1 secs Computing kpt #: 552 total cpu time spent up to now is 167.3 secs Computing kpt #: 553 total cpu time spent up to now is 167.5 secs Computing kpt #: 554 total cpu time spent up to now is 167.7 secs Computing kpt #: 555 total cpu time spent up to now is 167.9 secs Computing kpt #: 556 total cpu time spent up to now is 168.1 secs Computing kpt #: 557 total cpu time spent up to now is 168.3 secs Computing kpt #: 558 total cpu time spent up to now is 168.5 secs Computing kpt #: 559 total cpu time spent up to now is 168.8 secs Computing kpt #: 560 total cpu time spent up to now is 169.0 secs Computing kpt #: 561 total cpu time spent up to now is 169.2 secs Computing kpt #: 562 total cpu time spent up to now is 169.4 secs Computing kpt #: 563 total cpu time spent up to now is 169.6 secs Computing kpt #: 564 total cpu time spent up to now is 169.8 secs Computing kpt #: 565 total cpu time spent up to now is 170.0 secs ethr = 6.25E-11, avg # of iterations = 15.1 total cpu time spent up to now is 170.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 783 PWs) bands (ev): -9.9893 -9.9893 -0.3276 -0.3276 0.5337 0.5337 5.5676 5.5676 5.5729 5.5729 12.2458 12.2458 13.2104 13.2104 13.2174 13.2174 15.3998 15.3998 16.3550 16.3550 17.8926 17.8926 17.9009 17.9009 k = 0.0000 0.0081-0.0000 ( 781 PWs) bands (ev): -9.9883 -9.9883 -0.3269 -0.3268 0.5343 0.5343 5.5634 5.5636 5.5719 5.5720 12.2416 12.2416 13.2052 13.2055 13.2149 13.2150 15.4042 15.4043 16.3593 16.3593 17.8945 17.8946 17.9030 17.9031 k = 0.0000 0.0161-0.0000 ( 769 PWs) bands (ev): -9.9851 -9.9851 -0.3247 -0.3246 0.5362 0.5363 5.5469 5.5471 5.5736 5.5736 12.2291 12.2291 13.1851 13.1855 13.2126 13.2126 15.4172 15.4174 16.3724 16.3724 17.8991 17.8992 17.9103 17.9104 k = 0.0000 0.0242-0.0000 ( 769 PWs) bands (ev): -9.9799 -9.9799 -0.3212 -0.3210 0.5394 0.5395 5.5184 5.5187 5.5772 5.5773 12.2080 12.2081 13.1502 13.1508 13.2099 13.2099 15.4385 15.4388 16.3943 16.3943 17.9051 17.9051 17.9236 17.9239 k = 0.0000 0.0323-0.0000 ( 769 PWs) bands (ev): -9.9726 -9.9726 -0.3163 -0.3161 0.5438 0.5440 5.4788 5.4793 5.5825 5.5825 12.1788 12.1788 13.1019 13.1027 13.2064 13.2065 15.4672 15.4676 16.4254 16.4254 17.9126 17.9126 17.9430 17.9433 k = 0.0000 0.0403-0.0000 ( 773 PWs) bands (ev): -9.9632 -9.9632 -0.3101 -0.3097 0.5495 0.5497 5.4287 5.4292 5.5892 5.5892 12.1414 12.1415 13.0409 13.0419 13.2020 13.2020 15.5023 15.5028 16.4659 16.4660 17.9219 17.9220 17.9679 17.9683 k = 0.0000 0.0484-0.0000 ( 775 PWs) bands (ev): -9.9518 -9.9518 -0.3025 -0.3021 0.5564 0.5566 5.3686 5.3692 5.5975 5.5975 12.0963 12.0964 12.9681 12.9692 13.1967 13.1967 15.5427 15.5433 16.5163 16.5166 17.9332 17.9332 17.9980 17.9985 k = 0.0000 0.0565-0.0000 ( 774 PWs) bands (ev): -9.9383 -9.9383 -0.2936 -0.2931 0.5644 0.5647 5.2992 5.2999 5.6073 5.6073 12.0437 12.0438 12.8845 12.8858 13.1904 13.1904 15.5871 15.5879 16.5772 16.5775 17.9465 17.9465 18.0330 18.0336 k = 0.0000 0.0645-0.0000 ( 774 PWs) bands (ev): -9.9227 -9.9227 -0.2835 -0.2830 0.5736 0.5739 5.2212 5.2220 5.6185 5.6185 11.9839 11.9839 12.7910 12.7924 13.1831 13.1831 15.6342 15.6350 16.6487 16.6492 17.9617 17.9617 18.0726 18.0733 k = 0.0000 0.0726-0.0000 ( 768 PWs) bands (ev): -9.9051 -9.9051 -0.2723 -0.2717 0.5839 0.5842 5.1355 5.1363 5.6313 5.6313 11.9173 11.9173 12.6884 12.6899 13.1748 13.1749 15.6827 15.6837 16.7313 16.7321 17.9789 17.9789 18.1168 18.1175 k = 0.0000 0.0806-0.0000 ( 768 PWs) bands (ev): -9.8854 -9.8854 -0.2601 -0.2594 0.5952 0.5956 5.0427 5.0436 5.6454 5.6454 11.8440 11.8440 12.5776 12.5792 13.1656 13.1656 15.7316 15.7328 16.8248 16.8258 17.9981 17.9981 18.1648 18.1656 k = 0.0000 0.0887-0.0000 ( 768 PWs) bands (ev): -9.8638 -9.8637 -0.2469 -0.2461 0.6075 0.6079 4.9437 4.9447 5.6610 5.6610 11.7645 11.7646 12.4595 12.4612 13.1554 13.1554 15.7803 15.7816 16.9291 16.9303 18.0193 18.0193 18.2165 18.2174 k = 0.0000 0.0968-0.0000 ( 766 PWs) bands (ev): -9.8400 -9.8400 -0.2329 -0.2320 0.6207 0.6212 4.8394 4.8404 5.6780 5.6780 11.6792 11.6794 12.3349 12.3367 13.1442 13.1442 15.8283 15.8297 17.0437 17.0451 18.0424 18.0424 18.2717 18.2726 k = 0.0000 0.1048-0.0000 ( 762 PWs) bands (ev): -9.8143 -9.8143 -0.2182 -0.2173 0.6347 0.6353 4.7308 4.7319 5.6964 5.6965 11.5885 11.5887 12.2046 12.2065 13.1320 13.1320 15.8753 15.8768 17.1679 17.1694 18.0676 18.0676 18.3300 18.3309 k = 0.0000 0.1129-0.0000 ( 762 PWs) bands (ev): -9.7866 -9.7865 -0.2032 -0.2021 0.6495 0.6501 4.6187 4.6199 5.7162 5.7162 11.4927 11.4929 12.0692 12.0711 13.1188 13.1188 15.9212 15.9228 17.3006 17.3023 18.0945 18.0945 18.3911 18.3922 k = 0.0000 0.1210-0.0000 ( 762 PWs) bands (ev): -9.7568 -9.7568 -0.1879 -0.1867 0.6650 0.6657 4.5040 4.5053 5.7373 5.7373 11.3920 11.3923 11.9294 11.9314 13.1045 13.1045 15.9662 15.9679 17.4408 17.4427 18.1233 18.1233 18.4549 18.4560 k = 0.0000 0.1290-0.0000 ( 762 PWs) bands (ev): -9.7252 -9.7251 -0.1726 -0.1714 0.6812 0.6819 4.3878 4.3891 5.7597 5.7597 11.2869 11.2873 11.7857 11.7879 13.0893 13.0893 16.0104 16.0121 17.5874 17.5895 18.1540 18.1541 18.5211 18.5222 k = 0.0000 0.1371-0.0000 ( 762 PWs) bands (ev): -9.6915 -9.6915 -0.1577 -0.1564 0.6979 0.6987 4.2708 4.2721 5.7834 5.7834 11.1777 11.1782 11.6388 11.6411 13.0730 13.0730 16.0540 16.0557 17.7393 17.7416 18.1866 18.1866 18.5894 18.5906 k = 0.0000 0.1452-0.0000 ( 768 PWs) bands (ev): -9.6560 -9.6559 -0.1438 -0.1423 0.7151 0.7159 4.1541 4.1555 5.8083 5.8083 11.0647 11.0652 11.4891 11.4915 13.0558 13.0558 16.0971 16.0988 17.8952 17.8977 18.2209 18.2210 18.6596 18.6609 k = 0.0000 0.1532-0.0000 ( 764 PWs) bands (ev): -9.6185 -9.6185 -0.1309 -0.1293 0.7328 0.7338 4.0387 4.0401 5.8345 5.8345 10.9481 10.9488 11.3372 11.3396 13.0375 13.0375 16.1400 16.1418 18.0543 18.0570 18.2571 18.2572 18.7317 18.7330 k = 0.0000 0.1613-0.0000 ( 764 PWs) bands (ev): -9.5792 -9.5791 -0.1198 -0.1181 0.7510 0.7521 3.9254 3.9269 5.8618 5.8618 10.8283 10.8291 11.1833 11.1859 13.0182 13.0182 16.1829 16.1847 18.2148 18.2179 18.2951 18.2952 18.8054 18.8067 k = 0.0000 0.1694-0.0000 ( 766 PWs) bands (ev): -9.5379 -9.5379 -0.1111 -0.1093 0.7698 0.7709 3.8154 3.8169 5.8903 5.8903 10.7055 10.7064 11.0279 11.0306 12.9979 12.9979 16.2259 16.2277 18.3342 18.3345 18.3769 18.3795 18.8804 18.8818 k = 0.0000 0.1774-0.0000 ( 770 PWs) bands (ev): -9.4949 -9.4949 -0.1056 -0.1037 0.7892 0.7905 3.7095 3.7110 5.9198 5.9198 10.5799 10.5810 10.8714 10.8742 12.9766 12.9766 16.2691 16.2709 18.3758 18.3759 18.5375 18.5406 18.9568 18.9582 k = 0.0000 0.1855-0.0000 ( 770 PWs) bands (ev): -9.4501 -9.4500 -0.1040 -0.1019 0.8095 0.8108 3.6089 3.6105 5.9504 5.9504 10.4516 10.4529 10.7142 10.7172 12.9544 12.9544 16.3126 16.3144 18.4188 18.4188 18.6969 18.7002 19.0343 19.0357 k = 0.0000 0.1935-0.0000 ( 770 PWs) bands (ev): -9.4035 -9.4034 -0.1071 -0.1050 0.8308 0.8322 3.5146 3.5162 5.9820 5.9821 10.3210 10.3224 10.5566 10.5597 12.9312 12.9312 16.3565 16.3584 18.4634 18.4634 18.8539 18.8574 19.1128 19.1142 k = 0.0000 0.2016-0.0000 ( 770 PWs) bands (ev): -9.3552 -9.3551 -0.1160 -0.1138 0.8533 0.8548 3.4274 3.4290 6.0146 6.0146 10.1880 10.1896 10.3989 10.4022 12.9070 12.9070 16.4009 16.4028 18.5095 18.5095 19.0075 19.0111 19.1922 19.1936 k = 0.0000 0.2097-0.0000 ( 770 PWs) bands (ev): -9.3052 -9.3051 -0.1314 -0.1292 0.8775 0.8791 3.3482 3.3498 6.0481 6.0481 10.0528 10.0546 10.2416 10.2450 12.8820 12.8820 16.4459 16.4477 18.5571 18.5571 19.1567 19.1605 19.2724 19.2738 k = 0.0000 0.2177-0.0000 ( 768 PWs) bands (ev): -9.2535 -9.2534 -0.1543 -0.1520 0.9036 0.9052 3.2778 3.2794 6.0824 6.0824 9.9154 9.9173 10.0850 10.0886 12.8560 12.8560 16.4913 16.4931 18.6061 18.6061 19.3008 19.3045 19.3535 19.3548 k = 0.0000 0.2258-0.0000 ( 768 PWs) bands (ev): -9.2002 -9.2002 -0.1852 -0.1829 0.9320 0.9336 3.2168 3.2184 6.1175 6.1175 9.7758 9.7779 9.9295 9.9333 12.8292 12.8292 16.5374 16.5392 18.6565 18.6565 19.4316 19.4332 19.4420 19.4462 k = 0.0000 0.2339-0.0000 ( 768 PWs) bands (ev): -9.1455 -9.1454 -0.2247 -0.2224 0.9628 0.9644 3.1656 3.1671 6.1533 6.1533 9.6341 9.6363 9.7756 9.7794 12.8016 12.8016 16.5839 16.5857 18.7082 18.7083 19.5152 19.5172 19.5717 19.5763 k = 0.0000 0.2419-0.0000 ( 772 PWs) bands (ev): -9.0892 -9.0891 -0.2730 -0.2707 0.9963 0.9979 3.1244 3.1259 6.1896 6.1896 9.4902 9.4925 9.6235 9.6274 12.7732 12.7732 16.6310 16.6328 18.7612 18.7612 19.5973 19.5992 19.6966 19.7013 k = 0.0000 0.2500-0.0000 ( 776 PWs) bands (ev): -9.0315 -9.0315 -0.3300 -0.3278 1.0325 1.0342 3.0933 3.0948 6.2266 6.2266 9.3444 9.3466 9.4735 9.4772 12.7441 12.7441 16.6786 16.6804 18.8153 18.8153 19.6792 19.6811 19.8144 19.8191 k = 0.0000 0.2581-0.0000 ( 778 PWs) bands (ev): -8.9725 -8.9724 -0.3956 -0.3934 1.0716 1.0732 3.0722 3.0736 6.2641 6.2641 9.1970 9.1990 9.3256 9.3291 12.7143 12.7143 16.7267 16.7285 18.8705 18.8706 19.7612 19.7631 19.9248 19.9297 k = 0.0000 0.2661-0.0000 ( 778 PWs) bands (ev): -8.9122 -8.9121 -0.4692 -0.4671 1.1135 1.1151 3.0608 3.0622 6.3020 6.3020 9.0483 9.0501 9.1796 9.1829 12.6839 12.6839 16.7753 16.7770 18.9267 18.9268 19.8428 19.8448 20.0278 20.0329 k = 0.0000 0.2742-0.0000 ( 778 PWs) bands (ev): -8.8507 -8.8506 -0.5502 -0.5482 1.1581 1.1596 3.0586 3.0600 6.3403 6.3403 8.8990 8.9005 9.0355 9.0385 12.6530 12.6530 16.8242 16.8259 18.9838 18.9839 19.9240 19.9260 20.1236 20.1287 k = 0.0000 0.2823-0.0000 ( 770 PWs) bands (ev): -8.7881 -8.7880 -0.6378 -0.6359 1.2052 1.2066 3.0652 3.0665 6.3790 6.3790 8.7494 8.7506 8.8929 8.8956 12.6216 12.6216 16.8736 16.8753 19.0420 19.0420 20.0044 20.0065 20.2124 20.2176 k = 0.0000 0.2903-0.0000 ( 774 PWs) bands (ev): -8.7245 -8.7244 -0.7311 -0.7294 1.2546 1.2560 3.0800 3.0813 6.4176 6.4176 8.5999 8.6009 8.7517 8.7541 12.5898 12.5898 16.9231 16.9248 19.1005 19.1006 20.0835 20.0857 20.2944 20.2997 k = 0.0000 0.2984-0.0000 ( 774 PWs) bands (ev): -8.6600 -8.6599 -0.8294 -0.8278 1.3063 1.3076 3.1024 3.1036 6.4563 6.4564 8.4510 8.4518 8.6118 8.6139 12.5577 12.5577 16.9728 16.9744 19.1597 19.1597 20.1610 20.1632 20.3705 20.3759 k = 0.0000 0.3065-0.0000 ( 774 PWs) bands (ev): -8.5947 -8.5946 -0.9317 -0.9302 1.3600 1.3612 3.1318 3.1331 6.4950 6.4950 8.3031 8.3036 8.4731 8.4750 12.5254 12.5254 17.0225 17.0241 19.2192 19.2192 20.2361 20.2383 20.4415 20.4468 k = 0.0000 0.3145-0.0000 ( 774 PWs) bands (ev): -8.5288 -8.5287 -1.0372 -1.0358 1.4154 1.4165 3.1678 3.1690 6.5335 6.5335 8.1563 8.1566 8.3358 8.3375 12.4929 12.4929 17.0722 17.0738 19.2790 19.2790 20.3079 20.3101 20.5084 20.5137 k = 0.0000 0.3226-0.0000 ( 772 PWs) bands (ev): -8.4624 -8.4623 -1.1451 -1.1437 1.4723 1.4734 3.2097 3.2109 6.5717 6.5717 8.0109 8.0109 8.1999 8.2014 12.4605 12.4605 17.1218 17.1234 19.3389 19.3389 20.3753 20.3773 20.5728 20.5779 k = 0.0000 0.3306-0.0000 ( 772 PWs) bands (ev): -8.3957 -8.3956 -1.2545 -1.2533 1.5306 1.5317 3.2571 3.2582 6.6096 6.6096 7.8669 7.8670 8.0656 8.0668 12.4281 12.4281 17.1710 17.1726 19.3988 19.3988 20.4368 20.4386 20.6360 20.6409 k = 0.0000 0.3387-0.0000 ( 768 PWs) bands (ev): -8.3288 -8.3287 -1.3648 -1.3636 1.5900 1.5910 3.3095 3.3106 6.6470 6.6470 7.7245 7.7248 7.9330 7.9341 12.3959 12.3959 17.2200 17.2215 19.4586 19.4586 20.4913 20.4926 20.6997 20.7041 k = 0.0000 0.3468-0.0000 ( 774 PWs) bands (ev): -8.2620 -8.2619 -1.4752 -1.4741 1.6502 1.6511 3.3665 3.3676 6.6837 6.6837 7.5839 7.5844 7.8022 7.8031 12.3641 12.3641 17.2682 17.2697 19.5179 19.5179 20.5380 20.5388 20.7644 20.7682 k = 0.0000 0.3548-0.0000 ( 774 PWs) bands (ev): -8.1954 -8.1953 -1.5851 -1.5841 1.7110 1.7118 3.4277 3.4288 6.7197 6.7197 7.4453 7.4459 7.6738 7.6745 12.3327 12.3327 17.3158 17.3173 19.5765 19.5765 20.5771 20.5774 20.8304 20.8336 k = 0.0000 0.3629-0.0000 ( 776 PWs) bands (ev): -8.1293 -8.1292 -1.6939 -1.6930 1.7721 1.7729 3.4929 3.4940 6.7547 6.7548 7.3087 7.3094 7.5478 7.5484 12.3019 12.3019 17.3626 17.3640 19.6343 19.6343 20.6090 20.6092 20.8972 20.8999 k = 0.0000 0.3710-0.0000 ( 776 PWs) bands (ev): -8.0640 -8.0639 -1.8009 -1.8000 1.8332 1.8339 3.5616 3.5627 6.7888 6.7888 7.1741 7.1750 7.4247 7.4252 12.2719 12.2719 17.4083 17.4097 19.6910 19.6910 20.6346 20.6351 20.9640 20.9662 k = 0.0000 0.3790-0.0000 ( 776 PWs) bands (ev): -7.9997 -7.9996 -1.9055 -1.9047 1.8940 1.8947 3.6337 3.6348 6.8217 6.8217 7.0416 7.0426 7.3049 7.3052 12.2426 12.2426 17.4528 17.4542 19.7464 19.7464 20.6549 20.6556 21.0300 21.0319 k = 0.0000 0.3871-0.0000 ( 776 PWs) bands (ev): -7.9368 -7.9367 -2.0072 -2.0065 1.9542 1.9548 3.7087 3.7098 6.8532 6.8533 6.9114 6.9125 7.1887 7.1889 12.2145 12.2145 17.4959 17.4972 19.8002 19.8002 20.6706 20.6716 21.0946 21.0962 k = 0.0000 0.3952-0.0000 ( 776 PWs) bands (ev): -7.8756 -7.8755 -2.1054 -2.1047 2.0134 2.0139 3.7864 3.7875 6.7830 6.7842 6.8837 6.8837 7.0767 7.0768 12.1874 12.1874 17.5373 17.5386 19.8522 19.8522 20.6826 20.6837 21.1573 21.1587 k = 0.0000 0.4032-0.0000 ( 778 PWs) bands (ev): -7.8164 -7.8163 -2.1994 -2.1988 2.0712 2.0717 3.8665 3.8676 6.6571 6.6584 6.9123 6.9123 6.9695 6.9695 12.1616 12.1616 17.5769 17.5781 19.9020 19.9020 20.6913 20.6925 21.2175 21.2186 k = 0.0000 0.4113-0.0000 ( 782 PWs) bands (ev): -7.7597 -7.7596 -2.2889 -2.2883 2.1271 2.1276 3.9487 3.9499 6.5335 6.5348 6.8673 6.8673 6.9393 6.9393 12.1373 12.1373 17.6145 17.6156 19.9493 19.9493 20.6973 20.6985 21.2747 21.2757 k = 0.0000 0.4194-0.0000 ( 782 PWs) bands (ev): -7.7057 -7.7057 -2.3731 -2.3726 2.1808 2.1812 4.0327 4.0338 6.4123 6.4137 6.7712 6.7713 6.9644 6.9644 12.1145 12.1145 17.6498 17.6508 19.9939 19.9940 20.7012 20.7023 21.3286 21.3295 k = 0.0000 0.4274-0.0000 ( 782 PWs) bands (ev): -7.6551 -7.6550 -2.4515 -2.4510 2.2316 2.2320 4.1180 4.1191 6.2938 6.2952 6.6815 6.6817 6.9876 6.9876 12.0935 12.0935 17.6826 17.6835 20.0355 20.0355 20.7033 20.7044 21.3787 21.3795 k = 0.0000 0.4355-0.0000 ( 778 PWs) bands (ev): -7.6081 -7.6081 -2.5236 -2.5232 2.2792 2.2795 4.2041 4.2053 6.1784 6.1798 6.5990 6.5992 7.0087 7.0087 12.0742 12.0742 17.7126 17.7135 20.0737 20.0737 20.7041 20.7052 21.4248 21.4255 k = 0.0000 0.4435-0.0000 ( 778 PWs) bands (ev): -7.5654 -7.5653 -2.5888 -2.5884 2.3229 2.3232 4.2903 4.2914 6.0666 6.0680 6.5243 6.5245 7.0277 7.0277 12.0569 12.0569 17.7398 17.7405 20.1083 20.1083 20.7038 20.7048 21.4663 21.4669 k = 0.0000 0.4516-0.0000 ( 778 PWs) bands (ev): -7.5272 -7.5271 -2.6465 -2.6462 2.3623 2.3625 4.3757 4.3768 5.9593 5.9606 6.4580 6.4582 7.0443 7.0443 12.0417 12.0417 17.7638 17.7645 20.1389 20.1389 20.7028 20.7037 21.5030 21.5035 k = 0.0000 0.4597-0.0000 ( 778 PWs) bands (ev): -7.4940 -7.4939 -2.6964 -2.6961 2.3967 2.3969 4.4587 4.4598 5.8578 5.8591 6.4008 6.4009 7.0585 7.0585 12.0286 12.0286 17.7845 17.7850 20.1653 20.1653 20.7015 20.7022 21.5346 21.5350 k = 0.0000 0.4677-0.0000 ( 778 PWs) bands (ev): -7.4662 -7.4662 -2.7378 -2.7376 2.4257 2.4258 4.5374 4.5383 5.7642 5.7653 6.3530 6.3532 7.0703 7.0703 12.0178 12.0178 17.8016 17.8021 20.1873 20.1873 20.7000 20.7006 21.5609 21.5612 k = 0.0000 0.4758-0.0000 ( 778 PWs) bands (ev): -7.4442 -7.4442 -2.7705 -2.7704 2.4488 2.4489 4.6083 4.6091 5.6817 5.6827 6.3154 6.3155 7.0796 7.0796 12.0093 12.0093 17.8152 17.8155 20.2046 20.2046 20.6987 20.6991 21.5815 21.5818 k = 0.0000 0.4839-0.0000 ( 782 PWs) bands (ev): -7.4283 -7.4283 -2.7941 -2.7940 2.4656 2.4657 4.6668 4.6674 5.6151 5.6158 6.2881 6.2882 7.0862 7.0862 12.0032 12.0032 17.8249 17.8252 20.2171 20.2171 20.6975 20.6978 21.5964 21.5965 k = 0.0000 0.4919-0.0000 ( 778 PWs) bands (ev): -7.4187 -7.4186 -2.8084 -2.8083 2.4758 2.4759 4.7064 4.7067 5.5709 5.5713 6.2717 6.2717 7.0902 7.0902 11.9996 11.9996 17.8309 17.8310 20.2247 20.2247 20.6969 20.6970 21.6054 21.6055 k = 0.0000 0.5000-0.0000 ( 774 PWs) bands (ev): -7.4154 -7.4154 -2.8131 -2.8131 2.4793 2.4793 4.7206 4.7206 5.5554 5.5554 6.2662 6.2662 7.0916 7.0916 11.9983 11.9983 17.8329 17.8329 20.2272 20.2272 20.6969 20.6969 21.6085 21.6085 k = 0.0000 0.5000-0.0000 ( 774 PWs) bands (ev): -7.4154 -7.4154 -2.8131 -2.8131 2.4793 2.4793 4.7206 4.7206 5.5554 5.5554 6.2662 6.2662 7.0916 7.0916 11.9983 11.9983 17.8329 17.8329 20.2272 20.2272 20.6969 20.6969 21.6085 21.6085 k = 0.0081 0.5000-0.0000 ( 774 PWs) bands (ev): -7.4144 -7.4144 -2.8121 -2.8121 2.4794 2.4795 4.7211 4.7212 5.5556 5.5556 6.2669 6.2669 7.0869 7.0870 11.9926 11.9927 17.8387 17.8391 20.2149 20.2150 20.6996 20.6999 21.6192 21.6196 k = 0.0161 0.5000-0.0000 ( 778 PWs) bands (ev): -7.4115 -7.4115 -2.8090 -2.8090 2.4798 2.4801 4.7228 4.7230 5.5561 5.5562 6.2690 6.2690 7.0728 7.0730 11.9754 11.9756 17.8563 17.8571 20.1793 20.1795 20.7081 20.7085 21.6505 21.6514 k = 0.0242 0.5000-0.0000 ( 782 PWs) bands (ev): -7.4066 -7.4066 -2.8040 -2.8040 2.4806 2.4810 4.7256 4.7258 5.5573 5.5574 6.2724 6.2724 7.0495 7.0498 11.9471 11.9473 17.8856 17.8867 20.1231 20.1233 20.7219 20.7226 21.6995 21.7007 k = 0.0323 0.5000-0.0000 ( 780 PWs) bands (ev): -7.3998 -7.3998 -2.7969 -2.7969 2.4817 2.4821 4.7294 4.7298 5.5588 5.5590 6.2773 6.2773 7.0177 7.0181 11.9078 11.9081 17.9263 17.9279 20.0507 20.0508 20.7406 20.7415 21.7625 21.7640 k = 0.0403 0.5000-0.0000 ( 784 PWs) bands (ev): -7.3910 -7.3910 -2.7879 -2.7879 2.4830 2.4836 4.7342 4.7347 5.5608 5.5610 6.2835 6.2835 6.9773 6.9777 11.8580 11.8584 17.9778 17.9798 19.9654 19.9654 20.7633 20.7644 21.8357 21.8374 k = 0.0484 0.5000-0.0000 ( 784 PWs) bands (ev): -7.3803 -7.3803 -2.7768 -2.7767 2.4845 2.4853 4.7400 4.7406 5.5632 5.5635 6.2910 6.2911 6.9288 6.9294 11.7982 11.7986 18.0396 18.0420 19.8703 19.8705 20.7893 20.7907 21.9161 21.9181 k = 0.0565 0.5000-0.0000 ( 784 PWs) bands (ev): -7.3676 -7.3676 -2.7637 -2.7636 2.4863 2.4871 4.7466 4.7473 5.5661 5.5663 6.2999 6.2999 6.8729 6.8735 11.7288 11.7293 18.1107 18.1137 19.7683 19.7688 20.8176 20.8192 22.0013 22.0034 k = 0.0645 0.5000-0.0000 ( 788 PWs) bands (ev): -7.3530 -7.3530 -2.7486 -2.7485 2.4880 2.4890 4.7539 4.7547 5.5692 5.5695 6.3101 6.3101 6.8102 6.8108 11.6504 11.6510 18.1901 18.1937 19.6614 19.6622 20.8468 20.8486 22.0892 22.0915 k = 0.0726 0.5000-0.0000 ( 788 PWs) bands (ev): -7.3365 -7.3365 -2.7315 -2.7314 2.4898 2.4909 4.7616 4.7626 5.5727 5.5731 6.3215 6.3216 6.7414 6.7421 11.5638 11.5644 18.2764 18.2807 19.5521 19.5535 20.8756 20.8776 22.1784 22.1807 k = 0.0806 0.5000-0.0000 ( 784 PWs) bands (ev): -7.3181 -7.3180 -2.7124 -2.7123 2.4915 2.4927 4.7697 4.7709 5.5765 5.5769 6.3342 6.3343 6.6673 6.6680 11.4695 11.4703 18.3673 18.3725 19.4428 19.4450 20.9029 20.9051 22.2675 22.2699 k = 0.0887 0.5000-0.0000 ( 784 PWs) bands (ev): -7.2977 -7.2977 -2.6913 -2.6913 2.4929 2.4943 4.7778 4.7792 5.5806 5.5810 6.3481 6.3482 6.5889 6.5896 11.3684 11.3691 18.4589 18.4653 19.3372 19.3405 20.9269 20.9292 22.3553 22.3578 k = 0.0968 0.5000-0.0000 ( 784 PWs) bands (ev): -7.2755 -7.2754 -2.6683 -2.6683 2.4940 2.4955 4.7856 4.7871 5.5848 5.5853 6.3631 6.3632 6.5070 6.5077 11.2609 11.2617 18.5438 18.5518 19.2425 19.2472 20.9462 20.9488 22.4408 22.4433 k = 0.1048 0.5000-0.0000 ( 784 PWs) bands (ev): -7.2514 -7.2513 -2.6433 -2.6433 2.4945 2.4962 4.7926 4.7944 5.5893 5.5898 6.3793 6.3794 6.4228 6.4234 11.1479 11.1488 18.6071 18.6168 19.1735 19.1798 20.9596 20.9622 22.5228 22.5253 k = 0.1129 0.5000-0.0000 ( 784 PWs) bands (ev): -7.2254 -7.2253 -2.6164 -2.6164 2.4943 2.4962 4.7984 4.8005 5.5938 5.5943 6.3375 6.3380 6.3964 6.3966 11.0300 11.0309 18.6246 18.6350 19.1548 19.1616 20.9656 20.9684 22.6001 22.6025 k = 0.1210 0.5000-0.0000 ( 784 PWs) bands (ev): -7.1976 -7.1975 -2.5876 -2.5876 2.4932 2.4952 4.8023 4.8047 5.5983 5.5989 6.2523 6.2527 6.4146 6.4148 10.9080 10.9089 18.5841 18.5933 19.1987 19.2042 20.9631 20.9660 22.6712 22.6735 k = 0.1290 0.5000-0.0000 ( 784 PWs) bands (ev): -7.1679 -7.1678 -2.5569 -2.5568 2.4909 2.4931 4.8034 4.8062 5.6028 5.6034 6.1689 6.1690 6.4337 6.4338 10.7824 10.7834 18.5018 18.5092 19.2869 19.2906 20.9512 20.9541 22.7343 22.7364 k = 0.1371 0.5000-0.0000 ( 788 PWs) bands (ev): -7.1364 -7.1364 -2.5243 -2.5242 2.4872 2.4895 4.8010 4.8041 5.6071 5.6078 6.0885 6.0886 6.4536 6.4537 10.6539 10.6549 18.3975 18.4036 19.3973 19.3995 20.9291 20.9320 22.7872 22.7891 k = 0.1452 0.5000-0.0000 ( 788 PWs) bands (ev): -7.1032 -7.1031 -2.4898 -2.4898 2.4816 2.4841 4.7938 4.7975 5.6112 5.6120 6.0131 6.0135 6.4742 6.4744 10.5231 10.5242 18.2826 18.2877 19.5175 19.5186 20.8965 20.8994 22.8277 22.8293 k = 0.1532 0.5000-0.0000 ( 788 PWs) bands (ev): -7.0681 -7.0680 -2.4535 -2.4535 2.4739 2.4766 4.7809 4.7851 5.6150 5.6158 5.9446 5.9453 6.4954 6.4957 10.3908 10.3918 18.1620 18.1664 19.6408 19.6410 20.8532 20.8561 22.8534 22.8547 k = 0.1613 0.5000-0.0000 ( 788 PWs) bands (ev): -7.0313 -7.0313 -2.4154 -2.4153 2.4637 2.4665 4.7613 4.7660 5.6183 5.6192 5.8846 5.8857 6.5172 6.5175 10.2574 10.2585 18.0385 18.0423 19.7622 19.7626 20.7994 20.8023 22.8630 22.8640 k = 0.1694 0.5000-0.0000 ( 792 PWs) bands (ev): -6.9928 -6.9928 -2.3755 -2.3754 2.4505 2.4535 4.7343 4.7395 5.6210 5.6219 5.8347 5.8360 6.5394 6.5396 10.1236 10.1247 17.9131 17.9165 19.8784 19.8793 20.7352 20.7381 22.8572 22.8578 k = 0.1774 0.5000-0.0000 ( 794 PWs) bands (ev): -6.9527 -6.9526 -2.3339 -2.3338 2.4338 2.4370 4.6998 4.7054 5.6229 5.6239 5.7956 5.7973 6.5618 6.5621 9.9900 9.9912 17.7873 17.7903 19.9855 19.9870 20.6618 20.6646 22.8393 22.8396 k = 0.1855 0.5000-0.0000 ( 794 PWs) bands (ev): -6.9108 -6.9107 -2.2905 -2.2904 2.4131 2.4165 4.6584 4.6644 5.6239 5.6250 5.7678 5.7697 6.5843 6.5846 9.8573 9.8585 17.6612 17.6639 20.0798 20.0816 20.5797 20.5823 22.8152 22.8153 k = 0.1935 0.5000-0.0000 ( 790 PWs) bands (ev): -6.8673 -6.8672 -2.2454 -2.2453 2.3880 2.3915 4.6111 4.6175 5.6238 5.6249 5.7508 5.7529 6.6067 6.6071 9.7261 9.7272 17.5355 17.5380 20.1571 20.1592 20.4897 20.4923 22.7921 22.7923 k = 0.2016 0.5000-0.0000 ( 786 PWs) bands (ev): -6.8223 -6.8222 -2.1986 -2.1985 2.3578 2.3614 4.5598 4.5664 5.6225 5.6237 5.7437 5.7459 6.6289 6.6293 9.5969 9.5981 17.4104 17.4126 20.2132 20.2156 20.3929 20.3953 22.7777 22.7780 k = 0.2097 0.5000-0.0000 ( 790 PWs) bands (ev): -6.7757 -6.7756 -2.1503 -2.1502 2.3220 2.3257 4.5061 4.5129 5.6195 5.6207 5.7453 5.7476 6.6505 6.6509 9.4705 9.4717 17.2860 17.2880 20.2445 20.2472 20.2901 20.2922 22.7784 22.7789 k = 0.2177 0.5000-0.0000 ( 786 PWs) bands (ev): -6.7276 -6.7275 -2.1004 -2.1002 2.2802 2.2840 4.4521 4.4590 5.6146 5.6160 5.7544 5.7568 6.6715 6.6719 9.3476 9.3488 17.1629 17.1647 20.1816 20.1840 20.2501 20.2526 22.7989 22.7996 k = 0.2258 0.5000-0.0000 ( 790 PWs) bands (ev): -6.6781 -6.6780 -2.0489 -2.0488 2.2320 2.2359 4.3994 4.4063 5.6076 5.6090 5.7697 5.7721 6.6914 6.6920 9.2287 9.2300 17.0410 17.0426 20.0694 20.0716 20.2285 20.2311 22.8411 22.8420 k = 0.2339 0.5000-0.0000 ( 790 PWs) bands (ev): -6.6271 -6.6270 -1.9960 -1.9959 2.1772 2.1811 4.3494 4.3563 5.5982 5.5997 5.7903 5.7927 6.7102 6.7108 9.1148 9.1160 16.9206 16.9221 19.9537 19.9557 20.1819 20.1845 22.9046 22.9058 k = 0.2419 0.5000-0.0000 ( 790 PWs) bands (ev): -6.5749 -6.5748 -1.9417 -1.9416 2.1157 2.1196 4.3032 4.3100 5.5860 5.5875 5.8153 5.8176 6.7276 6.7282 9.0065 9.0077 16.8020 16.8033 19.8353 19.8372 20.1132 20.1157 22.9871 22.9888 k = 0.2500 0.5000-0.0000 ( 790 PWs) bands (ev): -6.5214 -6.5212 -1.8860 -1.8859 2.0476 2.0514 4.2616 4.2683 5.5707 5.5722 5.8438 5.8461 6.7432 6.7439 8.9044 8.9056 16.6852 16.6863 19.7148 19.7166 20.0260 20.0285 22.9246 22.9249 k = 0.2581 0.5000-0.0000 ( 790 PWs) bands (ev): -6.4666 -6.4665 -1.8291 -1.8290 1.9731 1.9769 4.2250 4.2315 5.5518 5.5534 5.8754 5.8776 6.7569 6.7576 8.8094 8.8106 16.5704 16.5714 19.5930 19.5947 19.9242 19.9266 22.8320 22.8322 k = 0.2661 0.5000-0.0000 ( 790 PWs) bands (ev): -6.4108 -6.4106 -1.7710 -1.7708 1.8926 1.8963 4.1936 4.1999 5.5291 5.5307 5.9093 5.9115 6.7684 6.7693 8.7221 8.7232 16.4577 16.4586 19.4704 19.4720 19.8110 19.8133 22.7386 22.7388 k = 0.2742 0.5000-0.0000 ( 790 PWs) bands (ev): -6.3539 -6.3537 -1.7117 -1.7116 1.8067 1.8102 4.1674 4.1735 5.5021 5.5038 5.9453 5.9474 6.7777 6.7786 8.6430 8.6441 16.3473 16.3481 19.3476 19.3491 19.6895 19.6917 22.6449 22.6451 k = 0.2823 0.5000-0.0000 ( 790 PWs) bands (ev): -6.2960 -6.2959 -1.6514 -1.6513 1.7159 1.7192 4.1462 4.1521 5.4706 5.4723 5.9828 5.9849 6.7848 6.7857 8.5726 8.5736 16.2394 16.2400 19.2250 19.2264 19.5621 19.5642 22.5512 22.5514 k = 0.2903 0.5000-0.0000 ( 790 PWs) bands (ev): -6.2373 -6.2372 -1.5902 -1.5900 1.6209 1.6240 4.1297 4.1353 5.4342 5.4359 6.0217 6.0237 6.7895 6.7905 8.5111 8.5120 16.1340 16.1345 19.1031 19.1044 19.4308 19.4329 22.4581 22.4582 k = 0.2984 0.5000-0.0000 ( 790 PWs) bands (ev): -6.1779 -6.1777 -1.5282 -1.5280 1.5224 1.5254 4.1175 4.1228 5.3929 5.3947 6.0616 6.0635 6.7921 6.7932 8.4586 8.4595 16.0313 16.0318 18.9823 18.9836 19.2973 19.2993 22.3657 22.3658 k = 0.3065 0.5000-0.0000 ( 788 PWs) bands (ev): -6.1178 -6.1177 -1.4654 -1.4652 1.4211 1.4239 4.1091 4.1142 5.3466 5.3483 6.1022 6.1041 6.7929 6.7940 8.4151 8.4158 15.9315 15.9319 18.8631 18.8642 19.1628 19.1648 22.2746 22.2746 k = 0.3145 0.5000-0.0000 ( 788 PWs) bands (ev): -6.0573 -6.0571 -1.4021 -1.4019 1.3177 1.3204 4.1042 4.1090 5.2953 5.2970 6.1433 6.1451 6.7921 6.7933 8.3801 8.3808 15.8347 15.8349 18.7457 18.7468 19.0286 19.0305 22.1849 22.1850 k = 0.3226 0.5000-0.0000 ( 788 PWs) bands (ev): -5.9964 -5.9962 -1.3384 -1.3382 1.2130 1.2155 4.1022 4.1068 5.2392 5.2409 6.1846 6.1864 6.7901 6.7913 8.3532 8.3538 15.7410 15.7411 18.6305 18.6315 18.8955 18.8973 22.0972 22.0972 k = 0.3306 0.5000-0.0000 ( 792 PWs) bands (ev): -5.9353 -5.9351 -1.2744 -1.2742 1.1074 1.1098 4.1028 4.1072 5.1787 5.1803 6.2260 6.2277 6.7873 6.7885 8.3337 8.3342 15.6503 15.6504 18.5178 18.5188 18.7641 18.7659 22.0114 22.0114 k = 0.3387 0.5000-0.0000 ( 792 PWs) bands (ev): -5.8742 -5.8740 -1.2103 -1.2102 1.0018 1.0040 4.1057 4.1097 5.1142 5.1157 6.2672 6.2688 6.7841 6.7853 8.3208 8.3213 15.5631 15.5631 18.4081 18.4090 18.6355 18.6372 21.9283 21.9283 k = 0.3468 0.5000-0.0000 ( 780 PWs) bands (ev): -5.8132 -5.8130 -1.1463 -1.1461 0.8967 0.8987 4.1104 4.1143 5.0463 5.0477 6.3080 6.3096 6.7807 6.7819 8.3139 8.3144 15.4794 15.4795 18.3016 18.3025 18.5100 18.5117 21.8478 21.8479 k = 0.3548 0.5000-0.0000 ( 774 PWs) bands (ev): -5.7526 -5.7524 -1.0826 -1.0824 0.7926 0.7945 4.1166 4.1202 4.9755 4.9769 6.3483 6.3498 6.7775 6.7786 8.3120 8.3124 15.3992 15.3993 18.1986 18.1994 18.3882 18.3898 21.7703 21.7704 k = 0.3629 0.5000-0.0000 ( 774 PWs) bands (ev): -5.6926 -5.6924 -1.0195 -1.0193 0.6900 0.6918 4.1240 4.1274 4.9026 4.9039 6.3877 6.3892 6.7745 6.7756 8.3144 8.3147 15.3226 15.3228 18.0993 18.1000 18.2705 18.2720 21.6959 21.6960 k = 0.3710 0.5000-0.0000 ( 774 PWs) bands (ev): -5.6334 -5.6333 -0.9571 -0.9569 0.5895 0.5912 4.1322 4.1354 4.8283 4.8296 6.4262 6.4276 6.7720 6.7731 8.3202 8.3205 15.2499 15.2502 18.0039 18.0046 18.1573 18.1588 21.6249 21.6249 k = 0.3790 0.5000-0.0000 ( 778 PWs) bands (ev): -5.5753 -5.5752 -0.8957 -0.8956 0.4916 0.4932 4.1411 4.1440 4.7534 4.7546 6.4635 6.4648 6.7700 6.7710 8.3288 8.3290 15.1810 15.1813 17.9129 17.9135 18.0489 18.0503 21.5573 21.5573 k = 0.3871 0.5000-0.0000 ( 778 PWs) bands (ev): -5.5186 -5.5185 -0.8358 -0.8356 0.3969 0.3983 4.1504 4.1532 4.6786 4.6797 6.4994 6.5007 6.7685 6.7694 8.3395 8.3398 15.1162 15.1165 17.8264 17.8269 17.9459 17.9472 21.4934 21.4934 k = 0.3952 0.5000-0.0000 ( 776 PWs) bands (ev): -5.4636 -5.4634 -0.7774 -0.7773 0.3057 0.3070 4.1600 4.1625 4.6048 4.6058 6.5339 6.5351 6.7675 6.7684 8.3518 8.3520 15.0555 15.0558 17.7447 17.7452 17.8485 17.8498 21.4333 21.4334 k = 0.4032 0.5000-0.0000 ( 772 PWs) bands (ev): -5.4105 -5.4104 -0.7211 -0.7210 0.2187 0.2198 4.1696 4.1719 4.5326 4.5335 6.5667 6.5678 6.7670 6.7678 8.3652 8.3653 14.9989 14.9992 17.6679 17.6684 17.7571 17.7583 21.3772 21.3773 k = 0.4113 0.5000-0.0000 ( 768 PWs) bands (ev): -5.3598 -5.3597 -0.6672 -0.6671 0.1362 0.1372 4.1791 4.1812 4.4628 4.4637 6.5975 6.5986 6.7668 6.7676 8.3791 8.3792 14.9465 14.9469 17.5964 17.5968 17.6719 17.6730 21.3253 21.3253 k = 0.4194 0.5000-0.0000 ( 772 PWs) bands (ev): -5.3118 -5.3116 -0.6161 -0.6159 0.0587 0.0597 4.1882 4.1901 4.3961 4.3969 6.6263 6.6273 6.7670 6.7677 8.3930 8.3932 14.8985 14.8989 17.5303 17.5307 17.5930 17.5941 21.2774 21.2774 k = 0.4274 0.5000-0.0000 ( 776 PWs) bands (ev): -5.2668 -5.2666 -0.5681 -0.5679 -0.0132 -0.0124 4.1968 4.1985 4.3332 4.3339 6.6529 6.6538 6.7675 6.7681 8.4068 8.4069 14.8548 14.8552 17.4698 17.4702 17.5209 17.5218 21.2338 21.2338 k = 0.4355 0.5000-0.0000 ( 776 PWs) bands (ev): -5.2252 -5.2251 -0.5236 -0.5235 -0.0791 -0.0783 4.2049 4.2064 4.2748 4.2755 6.6772 6.6779 6.7681 6.7686 8.4199 8.4200 14.8156 14.8160 17.4152 17.4155 17.4557 17.4566 21.1946 21.1946 k = 0.4435 0.5000-0.0000 ( 776 PWs) bands (ev): -5.1874 -5.1873 -0.4832 -0.4830 -0.1385 -0.1378 4.2120 4.2136 4.2216 4.2224 6.6989 6.6996 6.7688 6.7693 8.4322 8.4323 14.7809 14.7812 17.3666 17.3669 17.3978 17.3985 21.1598 21.1598 k = 0.4516 0.5000-0.0000 ( 776 PWs) bands (ev): -5.1538 -5.1537 -0.4471 -0.4470 -0.1910 -0.1904 4.1740 4.1744 4.2190 4.2201 6.7180 6.7186 6.7696 6.7700 8.4434 8.4434 14.7508 14.7510 17.3241 17.3243 17.3471 17.3477 21.1295 21.1295 k = 0.4597 0.5000-0.0000 ( 776 PWs) bands (ev): -5.1246 -5.1245 -0.4157 -0.4157 -0.2362 -0.2357 4.1327 4.1331 4.2247 4.2257 6.7344 6.7349 6.7704 6.7707 8.4532 8.4532 14.7252 14.7254 17.2879 17.2881 17.3040 17.3045 21.1038 21.1038 k = 0.4677 0.5000-0.0000 ( 776 PWs) bands (ev): -5.1003 -5.1002 -0.3896 -0.3895 -0.2737 -0.2733 4.0982 4.0985 4.2295 4.2303 6.7480 6.7484 6.7711 6.7714 8.4614 8.4615 14.7042 14.7044 17.2581 17.2583 17.2685 17.2689 21.0827 21.0827 k = 0.4758 0.5000-0.0000 ( 776 PWs) bands (ev): -5.0810 -5.0810 -0.3688 -0.3688 -0.3032 -0.3030 4.0709 4.0711 4.2334 4.2339 6.7586 6.7589 6.7717 6.7719 8.4680 8.4680 14.6879 14.6880 17.2348 17.2350 17.2409 17.2411 21.0663 21.0663 k = 0.4839 0.5000-0.0000 ( 776 PWs) bands (ev): -5.0671 -5.0671 -0.3539 -0.3539 -0.3245 -0.3243 4.0512 4.0513 4.2362 4.2365 6.7662 6.7664 6.7723 6.7724 8.4728 8.4728 14.6762 14.6763 17.2179 17.2181 17.2212 17.2213 21.0545 21.0545 k = 0.4919 0.5000-0.0000 ( 776 PWs) bands (ev): -5.0587 -5.0587 -0.3451 -0.3451 -0.3370 -0.3369 4.0392 4.0393 4.2379 4.2381 6.7705 6.7706 6.7729 6.7729 8.4757 8.4757 14.6692 14.6693 17.2076 17.2077 17.2096 17.2097 21.0474 21.0474 k = 0.5000 0.5000-0.0000 ( 776 PWs) bands (ev): -5.0558 -5.0558 -0.3434 -0.3434 -0.3399 -0.3399 4.0353 4.0353 4.2385 4.2385 6.7716 6.7716 6.7735 6.7735 8.4767 8.4767 14.6669 14.6669 17.2040 17.2040 17.2059 17.2059 21.0451 21.0451 k = 0.5000 0.5000-0.0000 ( 776 PWs) bands (ev): -5.0558 -5.0558 -0.3434 -0.3434 -0.3399 -0.3399 4.0353 4.0353 4.2385 4.2385 6.7716 6.7716 6.7735 6.7735 8.4767 8.4767 14.6669 14.6669 17.2040 17.2040 17.2059 17.2059 21.0451 21.0451 k = 0.4943 0.4943-0.0000 ( 776 PWs) bands (ev): -5.0587 -5.0586 -0.3428 -0.3427 -0.3393 -0.3393 4.0392 4.0393 4.2379 4.2381 6.7696 6.7697 6.7738 6.7738 8.4757 8.4757 14.6692 14.6692 17.2072 17.2073 17.2100 17.2100 21.0474 21.0474 k = 0.4886 0.4886-0.0000 ( 776 PWs) bands (ev): -5.0670 -5.0670 -0.3410 -0.3409 -0.3373 -0.3373 4.0511 4.0512 4.2362 4.2365 6.7618 6.7620 6.7767 6.7768 8.4728 8.4728 14.6761 14.6762 17.2154 17.2155 17.2235 17.2237 21.0544 21.0544 k = 0.4830 0.4830-0.0000 ( 776 PWs) bands (ev): -5.0810 -5.0809 -0.3380 -0.3379 -0.3340 -0.3340 4.0708 4.0710 4.2334 4.2339 6.7487 6.7490 6.7818 6.7820 8.4681 8.4681 14.6875 14.6877 17.2288 17.2289 17.2464 17.2468 21.0661 21.0661 k = 0.4773 0.4773-0.0000 ( 776 PWs) bands (ev): -5.1004 -5.1003 -0.3340 -0.3340 -0.3292 -0.3291 4.0982 4.0985 4.2294 4.2301 6.7305 6.7310 6.7891 6.7893 8.4617 8.4617 14.7034 14.7036 17.2475 17.2476 17.2785 17.2789 21.0825 21.0825 k = 0.4716 0.4716-0.0000 ( 776 PWs) bands (ev): -5.1251 -5.1250 -0.3290 -0.3290 -0.3229 -0.3226 4.1331 4.1334 4.2243 4.2253 6.7074 6.7081 6.7984 6.7986 8.4537 8.4537 14.7234 14.7236 17.2715 17.2717 17.3195 17.3200 21.1035 21.1035 k = 0.4659 0.4659-0.0000 ( 776 PWs) bands (ev): -5.1551 -5.1550 -0.3229 -0.3228 -0.3150 -0.3147 4.1751 4.1755 4.2181 4.2192 6.6798 6.6806 6.8097 6.8100 8.4443 8.4444 14.7473 14.7476 17.3010 17.3012 17.3692 17.3699 21.1292 21.1292 k = 0.4602 0.4602-0.0000 ( 776 PWs) bands (ev): -5.1901 -5.1900 -0.3156 -0.3155 -0.3057 -0.3053 4.2104 4.2119 4.2241 4.2248 6.6479 6.6488 6.8232 6.8235 8.4338 8.4339 14.7749 14.7753 17.3360 17.3363 17.4275 17.4283 21.1595 21.1595 k = 0.4545 0.4545-0.0000 ( 774 PWs) bands (ev): -5.2300 -5.2299 -0.3071 -0.3069 -0.2950 -0.2945 4.2019 4.2035 4.2794 4.2801 6.6122 6.6132 6.8386 6.8390 8.4224 8.4225 14.8059 14.8063 17.3765 17.3768 17.4940 17.4949 21.1944 21.1944 k = 0.4489 0.4489-0.0000 ( 774 PWs) bands (ev): -5.2746 -5.2745 -0.2972 -0.2970 -0.2829 -0.2822 4.1920 4.1937 4.3407 4.3414 6.5730 6.5741 6.8562 6.8566 8.4104 8.4105 14.8399 14.8403 17.4225 17.4229 17.5685 17.5695 21.2338 21.2339 k = 0.4432 0.4432-0.0000 ( 778 PWs) bands (ev): -5.3237 -5.3235 -0.2860 -0.2858 -0.2694 -0.2687 4.1808 4.1827 4.4074 4.4082 6.5308 6.5321 6.8757 6.8762 8.3982 8.3983 14.8765 14.8770 17.4742 17.4745 17.6507 17.6518 21.2778 21.2778 k = 0.4375 0.4375-0.0000 ( 782 PWs) bands (ev): -5.3770 -5.3768 -0.2733 -0.2731 -0.2546 -0.2538 4.1682 4.1703 4.4790 4.4798 6.4864 6.4878 6.8973 6.8978 8.3859 8.3860 14.9155 14.9159 17.5313 17.5318 17.7401 17.7414 21.3262 21.3263 k = 0.4318 0.4318-0.0000 ( 782 PWs) bands (ev): -5.4343 -5.4342 -0.2593 -0.2591 -0.2385 -0.2376 4.1543 4.1566 4.5545 4.5555 6.4404 6.4419 6.9209 6.9214 8.3740 8.3742 14.9564 14.9568 17.5941 17.5946 17.8367 17.8380 21.3791 21.3792 k = 0.4261 0.4261-0.0000 ( 782 PWs) bands (ev): -5.4954 -5.4952 -0.2437 -0.2434 -0.2212 -0.2202 4.1391 4.1416 4.6331 4.6342 6.3938 6.3954 6.9465 6.9471 8.3628 8.3630 14.9989 14.9994 17.6624 17.6629 17.9398 17.9413 21.4365 21.4366 k = 0.4205 0.4205-0.0000 ( 781 PWs) bands (ev): -5.5600 -5.5598 -0.2265 -0.2262 -0.2027 -0.2016 4.1225 4.1251 4.7137 4.7148 6.3477 6.3495 6.9741 6.9747 8.3526 8.3528 15.0428 15.0433 17.7361 17.7367 18.0492 18.0508 21.4981 21.4982 k = 0.4148 0.4148-0.0000 ( 777 PWs) bands (ev): -5.6278 -5.6276 -0.2077 -0.2075 -0.1830 -0.1819 4.1045 4.1074 4.7947 4.7960 6.3036 6.3055 7.0036 7.0043 8.3438 8.3440 15.0878 15.0883 17.8151 17.8158 18.1645 18.1662 21.5640 21.5641 k = 0.4091 0.4091-0.0000 ( 775 PWs) bands (ev): -5.6987 -5.6985 -0.1873 -0.1871 -0.1623 -0.1611 4.0852 4.0882 4.8743 4.8756 6.2632 6.2653 7.0352 7.0359 8.3366 8.3368 15.1335 15.1340 17.8994 17.9000 18.2854 18.2872 21.6342 21.6343 k = 0.4034 0.4034-0.0000 ( 771 PWs) bands (ev): -5.7723 -5.7721 -0.1654 -0.1652 -0.1405 -0.1392 4.0645 4.0678 4.9500 4.9514 6.2292 6.2314 7.0687 7.0695 8.3313 8.3315 15.1798 15.1803 17.9886 17.9893 18.4113 18.4132 21.7083 21.7084 k = 0.3977 0.3977-0.0000 ( 771 PWs) bands (ev): -5.8484 -5.8482 -0.1419 -0.1417 -0.1179 -0.1165 4.0426 4.0460 5.0186 5.0201 6.2046 6.2069 7.1041 7.1049 8.3282 8.3285 15.2264 15.2269 18.0825 18.0833 18.5417 18.5437 21.7864 21.7865 k = 0.3920 0.3920-0.0000 ( 775 PWs) bands (ev): -5.9268 -5.9266 -0.1169 -0.1167 -0.0943 -0.0928 4.0193 4.0229 5.0764 5.0778 6.1932 6.1954 7.1414 7.1423 8.3276 8.3279 15.2732 15.2737 18.1809 18.1817 18.6763 18.6784 21.8682 21.8683 k = 0.3864 0.3864-0.0000 ( 779 PWs) bands (ev): -6.0072 -6.0070 -0.0904 -0.0903 -0.0700 -0.0684 3.9950 3.9987 5.1196 5.1210 6.1988 6.2010 7.1807 7.1816 8.3297 8.3300 15.3200 15.3205 18.2834 18.2843 18.8146 18.8168 21.9536 21.9537 k = 0.3807 0.3807-0.0000 ( 779 PWs) bands (ev): -6.0894 -6.0892 -0.0623 -0.0623 -0.0449 -0.0433 3.9695 3.9735 5.1452 5.1464 6.2245 6.2266 7.2219 7.2228 8.3346 8.3350 15.3669 15.3674 18.3897 18.3906 18.9562 18.9586 22.0425 22.0426 k = 0.3750 0.3750-0.0000 ( 779 PWs) bands (ev): -6.1733 -6.1731 -0.0329 -0.0329 -0.0192 -0.0175 3.9431 3.9473 5.1520 5.1529 6.2714 6.2733 7.2649 7.2659 8.3427 8.3431 15.4136 15.4141 18.4993 18.5003 19.1006 19.1030 22.1345 22.1347 k = 0.3693 0.3693-0.0000 ( 779 PWs) bands (ev): -6.2585 -6.2583 -0.0022 -0.0020 0.0070 0.0087 3.9160 3.9203 5.1411 5.1418 6.3383 6.3400 7.3098 7.3109 8.3540 8.3544 15.4602 15.4607 18.6117 18.6128 19.2472 19.2498 22.2296 22.2297 k = 0.3636 0.3636-0.0000 ( 779 PWs) bands (ev): -6.3449 -6.3447 0.0295 0.0301 0.0340 0.0354 3.8882 3.8926 5.1152 5.1156 6.4226 6.4241 7.3566 7.3577 8.3687 8.3690 15.5067 15.5072 18.7264 18.7276 19.3955 19.3982 22.3273 22.3274 k = 0.3580 0.3580-0.0000 ( 779 PWs) bands (ev): -6.4323 -6.4321 0.0593 0.0618 0.0641 0.0644 3.8599 3.8646 5.0775 5.0777 6.5210 6.5222 7.4052 7.4064 8.3868 8.3872 15.5530 15.5534 18.8429 18.8441 19.5449 19.5477 22.4274 22.4275 k = 0.3523 0.3523-0.0000 ( 775 PWs) bands (ev): -6.5206 -6.5204 0.0867 0.0892 0.0984 0.0986 3.8315 3.8363 5.0310 5.0311 6.6305 6.6315 7.4557 7.4569 8.4085 8.4089 15.5991 15.5995 18.9604 18.9617 19.6947 19.6978 22.5294 22.5295 k = 0.3466 0.3466-0.0000 ( 775 PWs) bands (ev): -6.6094 -6.6093 0.1137 0.1162 0.1341 0.1342 3.8029 3.8079 4.9782 4.9785 6.7486 6.7495 7.5079 7.5092 8.4338 8.4342 15.6450 15.6454 19.0782 19.0795 19.8443 19.8475 22.6329 22.6330 k = 0.3409 0.3409-0.0000 ( 775 PWs) bands (ev): -6.6988 -6.6986 0.1405 0.1430 0.1707 0.1708 3.7746 3.7797 4.9210 4.9215 6.8734 6.8742 7.5620 7.5633 8.4627 8.4631 15.6907 15.6912 19.1955 19.1969 19.9928 19.9961 22.7374 22.7375 k = 0.3352 0.3352-0.0000 ( 775 PWs) bands (ev): -6.7885 -6.7883 0.1669 0.1696 0.2082 0.2083 3.7468 3.7521 4.8609 4.8616 7.0036 7.0042 7.6180 7.6193 8.4952 8.4956 15.7364 15.7368 19.3114 19.3129 20.1393 20.1428 22.8423 22.8424 k = 0.3295 0.3295-0.0000 ( 775 PWs) bands (ev): -6.8784 -6.8782 0.1928 0.1956 0.2465 0.2466 3.7197 3.7251 4.7992 4.8000 7.1379 7.1385 7.6757 7.6770 8.5314 8.5318 15.7820 15.7823 19.4249 19.4264 20.2828 20.2865 22.9472 22.9473 k = 0.3239 0.3239-0.0000 ( 771 PWs) bands (ev): -6.9683 -6.9681 0.2181 0.2209 0.2854 0.2855 3.6936 3.6992 4.7367 4.7376 7.2756 7.2761 7.7353 7.7366 8.5712 8.5716 15.8275 15.8279 19.5349 19.5365 20.4221 20.4260 23.0513 23.0513 k = 0.3182 0.3182-0.0000 ( 771 PWs) bands (ev): -7.0582 -7.0580 0.2425 0.2454 0.3248 0.3250 3.6689 3.6746 4.6740 4.6751 7.4160 7.4164 7.7966 7.7980 8.6146 8.6150 15.8730 15.8733 19.6401 19.6418 20.5559 20.5600 23.1540 23.1541 k = 0.3125 0.3125-0.0000 ( 771 PWs) bands (ev): -7.1478 -7.1477 0.2658 0.2688 0.3645 0.3647 3.6457 3.6516 4.6119 4.6132 7.5585 7.5588 7.8597 7.8611 8.6615 8.6619 15.9184 15.9188 19.7393 19.7410 20.6825 20.6869 23.2549 23.2549 k = 0.3068 0.3068-0.0000 ( 771 PWs) bands (ev): -7.2371 -7.2370 0.2879 0.2910 0.4043 0.4047 3.6245 3.6304 4.5509 4.5522 7.7027 7.7029 7.9246 7.9260 8.7118 8.7122 15.9639 15.9642 19.8309 19.8327 20.8000 20.8047 23.2326 23.2328 k = 0.3011 0.3011-0.0000 ( 771 PWs) bands (ev): -7.3260 -7.3259 0.3086 0.3118 0.4442 0.4446 3.6055 3.6115 4.4913 4.4928 7.8482 7.8484 7.9912 7.9927 8.7655 8.7659 16.0094 16.0097 19.9134 19.9153 20.9065 20.9115 23.1304 23.1306 k = 0.2955 0.2955-0.0000 ( 771 PWs) bands (ev): -7.4144 -7.4143 0.3276 0.3309 0.4839 0.4843 3.5890 3.5951 4.4337 4.4352 7.9947 7.9948 8.0597 8.0611 8.8225 8.8230 16.0549 16.0552 19.9855 19.9874 20.9994 21.0048 23.0301 23.0307 k = 0.2898 0.2898-0.0000 ( 767 PWs) bands (ev): -7.5022 -7.5020 0.3449 0.3482 0.5232 0.5237 3.5752 3.5815 4.3784 4.3800 8.1294 8.1311 8.1423 8.1426 8.8828 8.8833 16.1006 16.1008 20.0455 20.0475 21.0763 21.0819 22.9328 22.9339 k = 0.2841 0.2841-0.0000 ( 775 PWs) bands (ev): -7.5892 -7.5891 0.3601 0.3635 0.5619 0.5624 3.5645 3.5708 4.3256 4.3273 8.2017 8.2032 8.2898 8.2899 8.9462 8.9467 16.1462 16.1465 20.0919 20.0940 21.1342 21.1402 22.8392 22.8408 k = 0.2784 0.2784-0.0000 ( 771 PWs) bands (ev): -7.6754 -7.6753 0.3732 0.3767 0.5997 0.6003 3.5571 3.5635 4.2759 4.2777 8.2754 8.2769 8.4379 8.4380 9.0126 9.0131 16.1921 16.1923 20.1240 20.1261 21.1711 21.1775 22.7499 22.7519 k = 0.2727 0.2727-0.0000 ( 771 PWs) bands (ev): -7.7608 -7.7606 0.3840 0.3875 0.6365 0.6372 3.5532 3.5596 4.2295 4.2313 8.3508 8.3523 8.5860 8.5860 9.0820 9.0825 16.2379 16.2382 20.1406 20.1428 21.1851 21.1917 22.6646 22.6671 k = 0.2670 0.2670-0.0000 ( 771 PWs) bands (ev): -7.8452 -7.8450 0.3925 0.3960 0.6720 0.6728 3.5531 3.5595 4.1866 4.1886 8.4280 8.4295 8.7339 8.7340 9.1543 9.1548 16.2838 16.2841 20.1413 20.1436 21.1756 21.1824 22.5825 22.5854 k = 0.2614 0.2614-0.0000 ( 775 PWs) bands (ev): -7.9285 -7.9284 0.3984 0.4020 0.7060 0.7068 3.5568 3.5632 4.1477 4.1497 8.5068 8.5083 8.8816 8.8816 9.2292 9.2298 16.3298 16.3300 20.1260 20.1283 21.1429 21.1498 22.5018 22.5049 k = 0.2557 0.2557-0.0000 ( 771 PWs) bands (ev): -8.0108 -8.0107 0.4018 0.4054 0.7382 0.7391 3.5646 3.5710 4.1130 4.1151 8.5873 8.5888 9.0288 9.0288 9.3069 9.3075 16.3760 16.3762 20.0950 20.0973 21.0894 21.0963 22.4205 22.4238 k = 0.2500 0.2500-0.0000 ( 771 PWs) bands (ev): -8.0919 -8.0918 0.4026 0.4061 0.7685 0.7694 3.5764 3.5828 4.0828 4.0849 8.6694 8.6709 9.1755 9.1755 9.3871 9.3877 16.4221 16.4223 20.0489 20.0513 21.0172 21.0240 22.3365 22.3400 k = 0.2443 0.2443-0.0000 ( 771 PWs) bands (ev): -8.1718 -8.1717 0.4008 0.4043 0.7964 0.7974 3.5923 3.5987 4.0573 4.0595 8.7532 8.7547 9.3214 9.3214 9.4698 9.4704 16.4683 16.4684 19.9887 19.9911 20.9292 20.9358 22.2483 22.2518 k = 0.2386 0.2386-0.0000 ( 771 PWs) bands (ev): -8.2505 -8.2504 0.3965 0.4000 0.8219 0.8229 3.6124 3.6188 4.0367 4.0390 8.8386 8.8400 9.4664 9.4665 9.5549 9.5555 16.5144 16.5146 19.9154 19.9178 20.8282 20.8347 22.1549 22.1584 k = 0.2330 0.2330-0.0000 ( 771 PWs) bands (ev): -8.3278 -8.3277 0.3896 0.3931 0.8448 0.8459 3.6366 3.6429 4.0213 4.0236 8.9255 8.9269 9.6104 9.6105 9.6423 9.6429 16.5605 16.5607 19.8302 19.8327 20.7168 20.7231 22.0560 22.0594 k = 0.2273 0.2273-0.0000 ( 773 PWs) bands (ev): -8.4038 -8.4037 0.3804 0.3837 0.8649 0.8660 3.6647 3.6710 4.0111 4.0135 9.0139 9.0152 9.7314 9.7321 9.7536 9.7537 16.6066 16.6067 19.7344 19.7369 20.5970 20.6030 21.9517 21.9549 k = 0.2216 0.2216-0.0000 ( 773 PWs) bands (ev): -8.4783 -8.4782 0.3688 0.3721 0.8821 0.8832 3.6969 3.7030 4.0064 4.0087 9.1037 9.1051 9.8231 9.8238 9.8952 9.8953 16.6525 16.6526 19.6292 19.6317 20.4706 20.4763 21.8424 21.8455 k = 0.2159 0.2159-0.0000 ( 773 PWs) bands (ev): -8.5514 -8.5513 0.3551 0.3583 0.8963 0.8974 3.7328 3.7388 4.0070 4.0094 9.1950 9.1963 9.9167 9.9174 10.0356 10.0357 16.6983 16.6984 19.5158 19.5182 20.3388 20.3444 21.7287 21.7317 k = 0.2102 0.2102-0.0000 ( 777 PWs) bands (ev): -8.6230 -8.6229 0.3394 0.3425 0.9074 0.9085 3.7723 3.7783 4.0132 4.0156 9.2875 9.2889 10.0121 10.0128 10.1745 10.1746 16.7438 16.7438 19.3953 19.3977 20.2028 20.2082 21.6110 21.6140 k = 0.2045 0.2045-0.0000 ( 773 PWs) bands (ev): -8.6930 -8.6929 0.3219 0.3249 0.9155 0.9167 3.8153 3.8212 4.0248 4.0272 9.3815 9.3828 10.1093 10.1101 10.3118 10.3119 16.7892 16.7892 19.2688 19.2712 20.0637 20.0688 21.4903 21.4931 k = 0.1989 0.1989-0.0000 ( 773 PWs) bands (ev): -8.7614 -8.7613 0.3027 0.3056 0.9206 0.9218 3.8615 3.8673 4.0417 4.0441 9.4766 9.4778 10.2081 10.2090 10.4474 10.4475 16.8340 16.8341 19.1373 19.1397 19.9221 19.9270 21.3667 21.3694 k = 0.1932 0.1932-0.0000 ( 773 PWs) bands (ev): -8.8282 -8.8282 0.2820 0.2848 0.9228 0.9240 3.9107 3.9164 4.0637 4.0661 9.5728 9.5740 10.3086 10.3094 10.5813 10.5813 16.8784 16.8784 19.0016 19.0040 19.7786 19.7833 21.2409 21.2435 k = 0.1875 0.1875-0.0000 ( 769 PWs) bands (ev): -8.8934 -8.8933 0.2600 0.2628 0.9222 0.9234 3.9628 3.9683 4.0908 4.0932 9.6701 9.6713 10.4105 10.4114 10.7132 10.7133 16.9224 16.9224 18.8627 18.8651 19.6339 19.6384 21.1132 21.1157 k = 0.1818 0.1818-0.0000 ( 769 PWs) bands (ev): -8.9569 -8.9569 0.2369 0.2396 0.9190 0.9202 4.0174 4.0227 4.1226 4.1249 9.7683 9.7695 10.5137 10.5147 10.8430 10.8431 16.9654 16.9655 18.7214 18.7238 19.4883 19.4926 20.9841 20.9865 k = 0.1761 0.1761-0.0000 ( 769 PWs) bands (ev): -9.0187 -9.0187 0.2130 0.2155 0.9134 0.9145 4.0742 4.0795 4.1588 4.1611 9.8674 9.8685 10.6182 10.6192 10.9708 10.9709 17.0074 17.0076 18.5784 18.5809 19.3423 19.3464 20.8538 20.8561 k = 0.1705 0.1705-0.0000 ( 773 PWs) bands (ev): -9.0788 -9.0788 0.1882 0.1906 0.9055 0.9066 4.1331 4.1383 4.1992 4.2015 9.9673 9.9684 10.7238 10.7248 11.0963 11.0964 17.0482 17.0484 18.4348 18.4372 19.1961 19.2000 20.7225 20.7247 k = 0.1648 0.1648-0.0000 ( 769 PWs) bands (ev): -9.1371 -9.1371 0.1629 0.1653 0.8956 0.8967 4.1938 4.1989 4.2435 4.2457 10.0679 10.0689 10.8303 10.8314 11.2194 11.2195 17.0874 17.0876 18.2913 18.2937 19.0506 19.0543 20.5909 20.5931 k = 0.1591 0.1591-0.0000 ( 773 PWs) bands (ev): -9.1937 -9.1936 0.1372 0.1394 0.8840 0.8850 4.2561 4.2610 4.2913 4.2934 10.1689 10.1699 10.9377 10.9388 11.3400 11.3402 17.1242 17.1244 18.1491 18.1516 18.9056 18.9092 20.4590 20.4610 k = 0.1534 0.1534-0.0000 ( 773 PWs) bands (ev): -9.2484 -9.2484 0.1112 0.1133 0.8707 0.8717 4.3195 4.3244 4.3423 4.3443 10.2704 10.2713 11.0458 11.0469 11.4581 11.4582 17.1575 17.1578 18.0098 18.0123 18.7617 18.7651 20.3271 20.3291 k = 0.1477 0.1477-0.0000 ( 773 PWs) bands (ev): -9.3013 -9.3013 0.0851 0.0871 0.8562 0.8572 4.3838 4.3887 4.3962 4.3980 10.3721 10.3730 11.1544 11.1556 11.5734 11.5736 17.1851 17.1855 17.8761 17.8786 18.6192 18.6224 20.1955 20.1974 k = 0.1420 0.1420-0.0000 ( 769 PWs) bands (ev): -9.3524 -9.3523 0.0590 0.0610 0.8406 0.8415 4.4479 4.4524 4.4536 4.4556 10.4740 10.4749 11.2635 11.2647 11.6860 11.6861 17.2029 17.2034 17.7524 17.7550 18.4783 18.4813 20.0645 20.0663 k = 0.1364 0.1364-0.0000 ( 769 PWs) bands (ev): -9.4016 -9.4015 0.0331 0.0350 0.8240 0.8249 4.5087 4.5114 4.5167 4.5202 10.5758 10.5767 11.3727 11.3739 11.7955 11.7956 17.2022 17.2027 17.6479 17.6504 18.3394 18.3422 19.9342 19.9359 k = 0.1307 0.1307-0.0000 ( 769 PWs) bands (ev): -9.4489 -9.4488 0.0075 0.0092 0.8069 0.8077 4.5689 4.5712 4.5824 4.5861 10.6774 10.6782 11.4819 11.4832 11.9020 11.9021 17.1700 17.1703 17.5759 17.5781 18.2026 18.2053 19.8049 19.8065 k = 0.1250 0.1250-0.0000 ( 769 PWs) bands (ev): -9.4943 -9.4942 -0.0177 -0.0161 0.7892 0.7900 4.6300 4.6321 4.6483 4.6520 10.7785 10.7793 11.5909 11.5922 12.0052 12.0054 17.0995 17.0996 17.5436 17.5454 18.0684 18.0709 19.6768 19.6783 k = 0.1193 0.1193-0.0000 ( 773 PWs) bands (ev): -9.5378 -9.5377 -0.0425 -0.0409 0.7713 0.7720 4.6919 4.6939 4.7141 4.7176 10.8790 10.8798 11.6995 11.7008 12.1052 12.1053 17.0004 17.0009 17.5412 17.5425 17.9370 17.9393 19.5502 19.5516 k = 0.1136 0.1136-0.0000 ( 769 PWs) bands (ev): -9.5793 -9.5793 -0.0666 -0.0651 0.7532 0.7540 4.7543 4.7563 4.7794 4.7828 10.9787 10.9794 11.8074 11.8088 12.2016 12.2017 16.8871 16.8878 17.5549 17.5559 17.8088 17.8109 19.4255 19.4268 k = 0.1080 0.1080-0.0000 ( 769 PWs) bands (ev): -9.6189 -9.6189 -0.0900 -0.0886 0.7352 0.7359 4.8168 4.8187 4.8438 4.8471 11.0772 11.0778 11.9143 11.9158 12.2945 12.2946 16.7683 16.7692 17.5762 17.5770 17.6840 17.6859 19.3028 19.3041 k = 0.1023 0.1023-0.0000 ( 769 PWs) bands (ev): -9.6566 -9.6566 -0.1127 -0.1114 0.7174 0.7180 4.8791 4.8809 4.9072 4.9103 11.1743 11.1749 12.0201 12.0215 12.3837 12.3837 16.6486 16.6495 17.5624 17.5643 17.6016 17.6021 19.1826 19.1838 k = 0.0966 0.0966-0.0000 ( 769 PWs) bands (ev): -9.6923 -9.6922 -0.1345 -0.1333 0.6999 0.7005 4.9408 4.9425 4.9692 4.9722 11.2697 11.2703 12.1242 12.1257 12.4690 12.4690 16.5301 16.5311 17.4454 17.4471 17.6276 17.6282 19.0650 19.0662 k = 0.0909 0.0909-0.0000 ( 769 PWs) bands (ev): -9.7260 -9.7260 -0.1554 -0.1543 0.6828 0.6834 5.0015 5.0031 5.0296 5.0324 11.3632 11.3637 12.2265 12.2280 12.5503 12.5503 16.4145 16.4155 17.3326 17.3340 17.6542 17.6547 18.9506 18.9517 k = 0.0852 0.0852-0.0000 ( 769 PWs) bands (ev): -9.7577 -9.7577 -0.1753 -0.1743 0.6663 0.6669 5.0609 5.0624 5.0880 5.0907 11.4543 11.4547 12.3265 12.3280 12.6275 12.6275 16.3027 16.3037 17.2243 17.2256 17.6806 17.6810 18.8396 18.8406 k = 0.0795 0.0795-0.0000 ( 769 PWs) bands (ev): -9.7874 -9.7874 -0.1942 -0.1932 0.6505 0.6510 5.1186 5.1200 5.1443 5.1468 11.5426 11.5430 12.4238 12.4253 12.7004 12.7005 16.1953 16.1963 17.1209 17.1220 17.7061 17.7065 18.7325 18.7334 k = 0.0739 0.0739-0.0000 ( 769 PWs) bands (ev): -9.8151 -9.8151 -0.2120 -0.2111 0.6354 0.6358 5.1742 5.1756 5.1982 5.2005 11.6279 11.6282 12.5180 12.5195 12.7690 12.7691 16.0930 16.0940 17.0227 17.0237 17.7306 17.7310 18.6296 18.6304 k = 0.0682 0.0682-0.0000 ( 767 PWs) bands (ev): -9.8408 -9.8407 -0.2286 -0.2278 0.6211 0.6215 5.2274 5.2287 5.2494 5.2515 11.7096 11.7099 12.6086 12.6101 12.8331 12.8331 15.9963 15.9972 16.9301 16.9308 17.7539 17.7542 18.5314 18.5322 k = 0.0625 0.0625-0.0000 ( 767 PWs) bands (ev): -9.8644 -9.8644 -0.2440 -0.2433 0.6077 0.6081 5.2779 5.2791 5.2976 5.2996 11.7873 11.7876 12.6951 12.6966 12.8926 12.8926 15.9056 15.9064 16.8432 16.8438 17.7758 17.7760 18.4384 18.4392 k = 0.0568 0.0568-0.0000 ( 767 PWs) bands (ev): -9.8860 -9.8860 -0.2583 -0.2576 0.5953 0.5956 5.3253 5.3264 5.3426 5.3444 11.8606 11.8608 12.7769 12.7784 12.9473 12.9473 15.8213 15.8221 16.7624 16.7629 17.7961 17.7963 18.3511 18.3518 k = 0.0511 0.0511-0.0000 ( 767 PWs) bands (ev): -9.9056 -9.9056 -0.2713 -0.2707 0.5839 0.5842 5.3692 5.3702 5.3842 5.3858 11.9289 11.9292 12.8536 12.8550 12.9972 12.9973 15.7438 15.7445 16.6880 16.6884 17.8147 17.8149 18.2699 18.2705 k = 0.0455 0.0455-0.0000 ( 767 PWs) bands (ev): -9.9231 -9.9231 -0.2830 -0.2824 0.5736 0.5738 5.4094 5.4104 5.4221 5.4235 11.9918 11.9920 12.9244 12.9257 13.0422 13.0422 15.6734 15.6741 16.6204 16.6206 17.8316 17.8318 18.1955 18.1960 k = 0.0398 0.0398-0.0000 ( 773 PWs) bands (ev): -9.9386 -9.9386 -0.2934 -0.2929 0.5643 0.5646 5.4455 5.4464 5.4562 5.4573 12.0488 12.0490 12.9888 12.9900 13.0821 13.0821 15.6105 15.6111 16.5597 16.5599 17.8465 17.8467 18.1282 18.1286 k = 0.0341 0.0341-0.0000 ( 775 PWs) bands (ev): -9.9521 -9.9521 -0.3024 -0.3020 0.5563 0.5565 5.4774 5.4783 5.4861 5.4871 12.0994 12.0995 13.0460 13.0472 13.1169 13.1170 15.5554 15.5559 16.5065 16.5066 17.8597 17.8598 18.0685 18.0689 k = 0.0284 0.0284-0.0000 ( 775 PWs) bands (ev): -9.9634 -9.9634 -0.3101 -0.3097 0.5494 0.5496 5.5047 5.5055 5.5120 5.5127 12.1431 12.1432 13.0958 13.0967 13.1466 13.1466 15.5083 15.5088 16.4608 16.4609 17.8709 17.8710 18.0172 18.0175 k = 0.0227 0.0227-0.0000 ( 775 PWs) bands (ev): -9.9727 -9.9727 -0.3164 -0.3161 0.5438 0.5439 5.5273 5.5279 5.5335 5.5340 12.1796 12.1796 13.1372 13.1381 13.1710 13.1710 15.4695 15.4698 16.4231 16.4231 17.8801 17.8802 17.9746 17.9748 k = 0.0170 0.0170-0.0000 ( 773 PWs) bands (ev): -9.9800 -9.9800 -0.3213 -0.3211 0.5393 0.5395 5.5449 5.5454 5.5505 5.5509 12.2084 12.2084 13.1700 13.1706 13.1902 13.1903 15.4391 15.4394 16.3935 16.3935 17.8873 17.8873 17.9411 17.9413 k = 0.0114 0.0114-0.0000 ( 773 PWs) bands (ev): -9.9851 -9.9851 -0.3248 -0.3246 0.5362 0.5363 5.5575 5.5579 5.5629 5.5631 12.2292 12.2292 13.1932 13.1937 13.2044 13.2045 15.4173 15.4175 16.3722 16.3722 17.8921 17.8921 17.9172 17.9173 k = 0.0057 0.0057-0.0000 ( 779 PWs) bands (ev): -9.9883 -9.9883 -0.3269 -0.3268 0.5343 0.5343 5.5650 5.5652 5.5704 5.5705 12.2416 12.2416 13.2064 13.2067 13.2139 13.2139 15.4042 15.4043 16.3593 16.3593 17.8937 17.8937 17.9039 17.9039 k = 0.0000 0.0000 0.0000 ( 783 PWs) bands (ev): -9.9893 -9.9893 -0.3276 -0.3276 0.5337 0.5337 5.5676 5.5676 5.5729 5.5729 12.2458 12.2458 13.2104 13.2104 13.2174 13.2174 15.3998 15.3998 16.3550 16.3550 17.8926 17.8926 17.9009 17.9009 k = 0.0000 0.0000 0.0000 ( 783 PWs) bands (ev): -9.9893 -9.9893 -0.3276 -0.3276 0.5337 0.5337 5.5676 5.5676 5.5729 5.5729 12.2458 12.2458 13.2104 13.2104 13.2174 13.2174 15.3998 15.3998 16.3550 16.3550 17.8926 17.8926 17.9009 17.9009 k = 0.0000 0.0000 0.0079 ( 779 PWs) bands (ev): -9.9887 -9.9887 -0.3558 -0.3558 0.5635 0.5635 5.5682 5.5682 5.5735 5.5735 12.2426 12.2426 13.2061 13.2061 13.2131 13.2131 15.4001 15.4001 16.3559 16.3559 17.8979 17.8979 17.9062 17.9062 k = 0.0000 0.0000 0.0158 ( 779 PWs) bands (ev): -9.9868 -9.9868 -0.4314 -0.4314 0.6437 0.6437 5.5703 5.5703 5.5756 5.5756 12.2325 12.2325 13.1932 13.1932 13.2002 13.2002 15.4008 15.4008 16.3586 16.3586 17.9137 17.9137 17.9219 17.9219 k = 0.0000 0.0000 0.0238 ( 779 PWs) bands (ev): -9.9836 -9.9836 -0.5368 -0.5368 0.7567 0.7567 5.5736 5.5736 5.5789 5.5789 12.2156 12.2156 13.1720 13.1720 13.1788 13.1788 15.4021 15.4021 16.3630 16.3630 17.9397 17.9397 17.9478 17.9478 k = 0.0000 0.0000 0.0317 ( 783 PWs) bands (ev): -9.9791 -9.9791 -0.6587 -0.6587 0.8893 0.8893 5.5783 5.5783 5.5836 5.5836 12.1921 12.1921 13.1427 13.1427 13.1494 13.1494 15.4039 15.4039 16.3689 16.3689 17.9757 17.9757 17.9837 17.9837 k = 0.0000 0.0000 0.0396 ( 787 PWs) bands (ev): -9.9734 -9.9734 -0.7894 -0.7894 1.0338 1.0338 5.5842 5.5842 5.5896 5.5896 12.1621 12.1621 13.1057 13.1057 13.1122 13.1122 15.4062 15.4062 16.3763 16.3763 18.0211 18.0211 18.0289 18.0289 k = 0.0000 0.0000 0.0475 ( 787 PWs) bands (ev): -9.9665 -9.9665 -0.9246 -0.9246 1.1859 1.1859 5.5915 5.5915 5.5969 5.5969 12.1258 12.1258 13.0616 13.0616 13.0680 13.0680 15.4091 15.4091 16.3849 16.3849 18.0755 18.0755 18.0832 18.0832 k = 0.0000 0.0000 0.0555 ( 775 PWs) bands (ev): -9.9583 -9.9583 -1.0619 -1.0619 1.3434 1.3434 5.6003 5.6003 5.6057 5.6057 12.0833 12.0833 13.0112 13.0112 13.0173 13.0173 15.4127 15.4127 16.3944 16.3944 18.1385 18.1385 18.1460 18.1460 k = 0.0000 0.0000 0.0634 ( 767 PWs) bands (ev): -9.9489 -9.9489 -1.2000 -1.2000 1.5046 1.5046 5.6102 5.6102 5.6156 5.6156 12.0348 12.0348 12.9547 12.9547 12.9607 12.9607 15.4169 15.4169 16.4048 16.4048 18.2093 18.2093 18.2165 18.2165 k = 0.0000 0.0000 0.0713 ( 767 PWs) bands (ev): -9.9384 -9.9384 -1.3379 -1.3379 1.6688 1.6688 5.6213 5.6213 5.6267 5.6267 11.9805 11.9805 12.8929 12.8929 12.8986 12.8986 15.4217 15.4217 16.4155 16.4155 18.2869 18.2869 18.2939 18.2939 k = 0.0000 0.0000 0.0792 ( 763 PWs) bands (ev): -9.9267 -9.9267 -1.4751 -1.4751 1.8354 1.8354 5.6335 5.6335 5.6390 5.6390 11.9206 11.9206 12.8264 12.8264 12.8319 12.8319 15.4272 15.4272 16.4263 16.4263 18.3710 18.3710 18.3778 18.3778 k = 0.0000 0.0000 0.0872 ( 763 PWs) bands (ev): -9.9139 -9.9139 -1.6110 -1.6110 2.0038 2.0038 5.6470 5.6470 5.6525 5.6525 11.8552 11.8552 12.7559 12.7559 12.7612 12.7612 15.4334 15.4334 16.4370 16.4370 18.4609 18.4609 18.4674 18.4674 k = 0.0000 0.0000 0.0951 ( 763 PWs) bands (ev): -9.9001 -9.9001 -1.7454 -1.7454 2.1739 2.1739 5.6615 5.6615 5.6671 5.6671 11.7846 11.7846 12.6819 12.6819 12.6870 12.6870 15.4404 15.4404 16.4472 16.4472 18.5560 18.5560 18.5622 18.5622 k = 0.0000 0.0000 0.1030 ( 763 PWs) bands (ev): -9.8853 -9.8853 -1.8780 -1.8780 2.3452 2.3452 5.6772 5.6772 5.6828 5.6828 11.7090 11.7090 12.6050 12.6050 12.6099 12.6099 15.4480 15.4480 16.4567 16.4567 18.6556 18.6556 18.6616 18.6616 k = 0.0000 0.0000 0.1109 ( 763 PWs) bands (ev): -9.8694 -9.8694 -2.0086 -2.0086 2.5178 2.5178 5.6939 5.6939 5.6995 5.6995 11.6287 11.6287 12.5258 12.5258 12.5304 12.5304 15.4565 15.4565 16.4653 16.4653 18.7593 18.7593 18.7650 18.7650 k = 0.0000 0.0000 0.1189 ( 767 PWs) bands (ev): -9.8527 -9.8527 -2.1371 -2.1371 2.6913 2.6913 5.7116 5.7116 5.7173 5.7173 11.5437 11.5437 12.4447 12.4447 12.4491 12.4491 15.4656 15.4656 16.4728 16.4728 18.8663 18.8663 18.8718 18.8718 k = 0.0000 0.0000 0.1268 ( 767 PWs) bands (ev): -9.8351 -9.8351 -2.2631 -2.2631 2.8656 2.8656 5.7302 5.7302 5.7359 5.7359 11.4545 11.4545 12.3622 12.3622 12.3664 12.3664 15.4755 15.4755 16.4790 16.4790 18.9764 18.9764 18.9816 18.9816 k = 0.0000 0.0000 0.1347 ( 767 PWs) bands (ev): -9.8167 -9.8167 -2.3865 -2.3865 3.0407 3.0407 5.7497 5.7497 5.7554 5.7554 11.3610 11.3610 12.2788 12.2788 12.2828 12.2828 15.4862 15.4862 16.4837 16.4837 19.0888 19.0888 19.0939 19.0939 k = 0.0000 0.0000 0.1426 ( 759 PWs) bands (ev): -9.7975 -9.7975 -2.5074 -2.5074 3.2165 3.2165 5.7700 5.7700 5.7758 5.7758 11.2636 11.2636 12.1948 12.1948 12.1987 12.1987 15.4977 15.4977 16.4868 16.4868 19.2034 19.2034 19.2082 19.2082 k = 0.0000 0.0000 0.1506 ( 759 PWs) bands (ev): -9.7777 -9.7777 -2.6254 -2.6254 3.3926 3.3926 5.7910 5.7910 5.7968 5.7968 11.1623 11.1623 12.1107 12.1107 12.1144 12.1144 15.5100 15.5100 16.4882 16.4882 19.3194 19.3194 19.3239 19.3239 k = 0.0000 0.0000 0.1585 ( 759 PWs) bands (ev): -9.7572 -9.7572 -2.7405 -2.7405 3.5692 3.5692 5.8126 5.8126 5.8185 5.8185 11.0574 11.0574 12.0268 12.0268 12.0303 12.0303 15.5230 15.5230 16.4879 16.4879 19.4364 19.4364 19.4407 19.4407 k = 0.0000 0.0000 0.1664 ( 759 PWs) bands (ev): -9.7363 -9.7363 -2.8525 -2.8525 3.7461 3.7461 5.8348 5.8348 5.8408 5.8408 10.9490 10.9490 11.9435 11.9435 11.9469 11.9469 15.5367 15.5367 16.4857 16.4857 19.5541 19.5541 19.5582 19.5582 k = 0.0000 0.0000 0.1743 ( 758 PWs) bands (ev): -9.7149 -9.7149 -2.9613 -2.9613 3.9232 3.9232 5.8574 5.8574 5.8635 5.8635 10.8372 10.8372 11.8610 11.8610 11.8643 11.8643 15.5512 15.5512 16.4817 16.4817 19.6720 19.6720 19.6759 19.6759 k = 0.0000 0.0000 0.1823 ( 758 PWs) bands (ev): -9.6933 -9.6933 -3.0668 -3.0668 4.1004 4.1004 5.8805 5.8805 5.8866 5.8866 10.7222 10.7222 11.7798 11.7798 11.7829 11.7829 15.5664 15.5664 16.4760 16.4760 19.7897 19.7897 19.7934 19.7934 k = 0.0000 0.0000 0.1902 ( 758 PWs) bands (ev): -9.6714 -9.6714 -3.1688 -3.1688 4.2776 4.2776 5.9037 5.9037 5.9100 5.9100 10.6040 10.6040 11.7000 11.7000 11.7030 11.7030 15.5822 15.5822 16.4685 16.4685 19.9068 19.9068 19.9103 19.9103 k = 0.0000 0.0000 0.1981 ( 758 PWs) bands (ev): -9.6494 -9.6494 -3.2671 -3.2671 4.4548 4.4548 5.9272 5.9272 5.9335 5.9335 10.4830 10.4830 11.6219 11.6219 11.6249 11.6249 15.5988 15.5988 16.4592 16.4592 20.0229 20.0229 20.0263 20.0263 k = 0.0000 0.0000 0.2060 ( 758 PWs) bands (ev): -9.6274 -9.6274 -3.3618 -3.3618 4.6318 4.6318 5.9506 5.9506 5.9570 5.9570 10.3591 10.3591 11.5459 11.5459 11.5488 11.5488 15.6160 15.6160 16.4484 16.4484 20.1375 20.1375 20.1407 20.1407 k = 0.0000 0.0000 0.2140 ( 758 PWs) bands (ev): -9.6055 -9.6055 -3.4525 -3.4525 4.8086 4.8086 5.9740 5.9740 5.9804 5.9804 10.2324 10.2324 11.4722 11.4722 11.4750 11.4750 15.6339 15.6339 16.4360 16.4360 20.2503 20.2503 20.2534 20.2534 k = 0.0000 0.0000 0.2219 ( 758 PWs) bands (ev): -9.5838 -9.5838 -3.5392 -3.5392 4.9852 4.9852 5.9971 5.9971 6.0036 6.0036 10.1031 10.1031 11.4010 11.4010 11.4038 11.4038 15.6524 15.6524 16.4222 16.4222 20.3608 20.3608 20.3637 20.3637 k = 0.0000 0.0000 0.2298 ( 758 PWs) bands (ev): -9.5625 -9.5625 -3.6216 -3.6216 5.1613 5.1613 6.0199 6.0199 6.0265 6.0265 9.9713 9.9713 11.3326 11.3326 11.3354 11.3354 15.6714 15.6714 16.4070 16.4070 20.4684 20.4684 20.4712 20.4712 k = 0.0000 0.0000 0.2377 ( 758 PWs) bands (ev): -9.5417 -9.5417 -3.6998 -3.6998 5.3370 5.3370 6.0422 6.0422 6.0488 6.0488 9.8371 9.8371 11.2672 11.2672 11.2700 11.2700 15.6910 15.6910 16.3906 16.3906 20.5728 20.5728 20.5754 20.5754 k = 0.0000 0.0000 0.2457 ( 770 PWs) bands (ev): -9.5216 -9.5216 -3.7734 -3.7734 5.5120 5.5120 6.0637 6.0637 6.0704 6.0704 9.7005 9.7005 11.2051 11.2051 11.2079 11.2079 15.7108 15.7108 16.3728 16.3728 20.6734 20.6734 20.6758 20.6758 k = 0.0000 0.0000 0.2536 ( 770 PWs) bands (ev): -9.5022 -9.5022 -3.8423 -3.8423 5.6865 5.6865 6.0845 6.0845 6.0913 6.0913 9.5617 9.5617 11.1465 11.1465 11.1493 11.1493 15.7313 15.7313 16.3544 16.3544 20.7697 20.7697 20.7720 20.7720 k = 0.0000 0.0000 0.2615 ( 770 PWs) bands (ev): -9.4837 -9.4837 -3.9065 -3.9065 5.8602 5.8602 6.1044 6.1044 6.1113 6.1113 9.4208 9.4208 11.0917 11.0917 11.0944 11.0944 15.7520 15.7520 16.3351 16.3351 20.8612 20.8612 20.8635 20.8635 k = 0.0000 0.0000 0.2694 ( 762 PWs) bands (ev): -9.4662 -9.4662 -3.9656 -3.9656 6.0329 6.0329 6.1234 6.1234 6.1303 6.1303 9.2779 9.2779 11.0408 11.0408 11.0435 11.0435 15.7733 15.7733 16.3153 16.3153 20.9476 20.9476 20.9497 20.9497 k = 0.0000 0.0000 0.2774 ( 762 PWs) bands (ev): -9.4499 -9.4499 -4.0197 -4.0197 6.1405 6.1405 6.1478 6.1478 6.2053 6.2053 9.1332 9.1332 10.9940 10.9940 10.9968 10.9968 15.7944 15.7944 16.2949 16.2949 21.0278 21.0278 21.0298 21.0298 k = 0.0000 0.0000 0.2853 ( 762 PWs) bands (ev): -9.4350 -9.4350 -4.0685 -4.0685 6.1568 6.1568 6.1640 6.1640 6.3759 6.3759 8.9866 8.9866 10.9515 10.9515 10.9544 10.9544 15.8156 15.8156 16.2743 16.2743 21.1016 21.1016 21.1035 21.1035 k = 0.0000 0.0000 0.2932 ( 762 PWs) bands (ev): -9.4214 -9.4214 -4.1119 -4.1119 6.1715 6.1715 6.1787 6.1787 6.5454 6.5454 8.8385 8.8385 10.9136 10.9136 10.9165 10.9165 15.8365 15.8365 16.2536 16.2536 21.1683 21.1683 21.1702 21.1702 k = 0.0000 0.0000 0.3011 ( 762 PWs) bands (ev): -9.4094 -9.4094 -4.1498 -4.1498 6.1845 6.1845 6.1917 6.1917 6.7134 6.7134 8.6891 8.6891 10.8804 10.8804 10.8833 10.8833 15.8570 15.8570 16.2333 16.2333 21.2274 21.2274 21.2292 21.2292 k = 0.0000 0.0000 0.3091 ( 758 PWs) bands (ev): -9.3991 -9.3991 -4.1820 -4.1820 6.1957 6.1957 6.2030 6.2030 6.8794 6.8794 8.5388 8.5388 10.8520 10.8520 10.8549 10.8549 15.8767 15.8767 16.2138 16.2138 21.2786 21.2786 21.2803 21.2803 k = 0.0000 0.0000 0.3170 ( 758 PWs) bands (ev): -9.3905 -9.3905 -4.2086 -4.2086 6.2050 6.2050 6.2123 6.2123 7.0428 7.0428 8.3882 8.3882 10.8285 10.8285 10.8315 10.8315 15.8949 15.8949 16.1955 16.1955 21.3211 21.3211 21.3228 21.3228 k = 0.0000 0.0000 0.3249 ( 758 PWs) bands (ev): -9.3837 -9.3837 -4.2293 -4.2293 6.2123 6.2123 6.2197 6.2197 7.2022 7.2022 8.2389 8.2389 10.8102 10.8102 10.8132 10.8132 15.9111 15.9111 16.1794 16.1794 21.3546 21.3546 21.3562 21.3562 k = 0.0000 0.0000 0.3328 ( 758 PWs) bands (ev): -9.3788 -9.3788 -4.2442 -4.2442 6.2176 6.2176 6.2250 6.2250 7.3538 7.3538 8.0944 8.0944 10.7970 10.7970 10.8000 10.8000 15.9240 15.9240 16.1664 16.1664 21.3788 21.3788 21.3804 21.3804 k = 0.0000 0.0000 0.3408 ( 758 PWs) bands (ev): -9.3759 -9.3759 -4.2532 -4.2532 6.2208 6.2208 6.2282 6.2282 7.4852 7.4852 7.9673 7.9673 10.7891 10.7891 10.7921 10.7921 15.9326 15.9326 16.1578 16.1578 21.3934 21.3934 21.3950 21.3950 k = 0.0000 0.0000 0.3487 ( 766 PWs) bands (ev): -9.3749 -9.3749 -4.2562 -4.2562 6.2218 6.2218 6.2292 6.2292 7.5485 7.5485 7.9051 7.9051 10.7864 10.7864 10.7894 10.7894 15.9354 15.9354 16.1547 16.1547 21.3982 21.3982 21.3999 21.3999 k = 0.0000 0.0000 0.3487 ( 766 PWs) bands (ev): -9.3749 -9.3749 -4.2562 -4.2562 6.2218 6.2218 6.2292 6.2292 7.5485 7.5485 7.9051 7.9051 10.7864 10.7864 10.7894 10.7894 15.9354 15.9354 16.1547 16.1547 21.3982 21.3982 21.3999 21.3999 k = 0.0000 0.0081 0.3487 ( 758 PWs) bands (ev): -9.3739 -9.3739 -4.2551 -4.2550 6.2129 6.2133 6.2271 6.2272 7.5490 7.5496 7.9096 7.9098 10.7824 10.7827 10.7890 10.7891 15.9398 15.9400 16.1595 16.1596 21.3963 21.3965 21.3983 21.3983 k = 0.0000 0.0161 0.3487 ( 758 PWs) bands (ev): -9.3708 -9.3708 -4.2518 -4.2518 6.1799 6.1804 6.2280 6.2281 7.5497 7.5509 7.9230 7.9234 10.7677 10.7681 10.7911 10.7911 15.9525 15.9530 16.1737 16.1740 21.3896 21.3901 21.3945 21.3945 k = 0.0000 0.0242 0.3487 ( 758 PWs) bands (ev): -9.3658 -9.3658 -4.2464 -4.2463 6.1257 6.1264 6.2307 6.2307 7.5496 7.5512 7.9452 7.9456 10.7431 10.7437 10.7948 10.7948 15.9735 15.9742 16.1974 16.1978 21.3784 21.3790 21.3885 21.3886 k = 0.0000 0.0323 0.3487 ( 758 PWs) bands (ev): -9.3587 -9.3587 -4.2387 -4.2387 6.0532 6.0540 6.2345 6.2345 7.5473 7.5491 7.9752 7.9756 10.7095 10.7103 10.8001 10.8001 16.0022 16.0031 16.2304 16.2309 21.3626 21.3634 21.3803 21.3803 k = 0.0000 0.0403 0.3487 ( 760 PWs) bands (ev): -9.3497 -9.3496 -4.2290 -4.2289 5.9649 5.9658 6.2395 6.2395 7.5415 7.5435 8.0119 8.0121 10.6676 10.6685 10.8069 10.8069 16.0380 16.0390 16.2728 16.2733 21.3425 21.3435 21.3698 21.3698 k = 0.0000 0.0484 0.3487 ( 758 PWs) bands (ev): -9.3386 -9.3386 -4.2170 -4.2169 5.8632 5.8641 6.2455 6.2456 7.5315 7.5335 8.0537 8.0537 10.6184 10.6195 10.8151 10.8151 16.0801 16.0811 16.3243 16.3249 21.3182 21.3194 21.3569 21.3569 k = 0.0000 0.0565 0.3487 ( 764 PWs) bands (ev): -9.3255 -9.3255 -4.2029 -4.2028 5.7498 5.7507 6.2527 6.2527 7.5168 7.5187 8.0987 8.0989 10.5628 10.5640 10.8249 10.8249 16.1273 16.1284 16.3849 16.3853 21.2897 21.2910 21.3417 21.3417 k = 0.0000 0.0645 0.3487 ( 764 PWs) bands (ev): -9.3104 -9.3104 -4.1866 -4.1865 5.6271 5.6279 6.2609 6.2609 7.4972 7.4990 8.1456 8.1461 10.5021 10.5035 10.8361 10.8361 16.1790 16.1801 16.4542 16.4546 21.2574 21.2590 21.3243 21.3243 k = 0.0000 0.0726 0.3487 ( 764 PWs) bands (ev): -9.2934 -9.2933 -4.1682 -4.1681 5.4960 5.4969 6.2702 6.2702 7.4724 7.4741 8.1933 8.1940 10.4376 10.4391 10.8488 10.8488 16.2342 16.2352 16.5322 16.5324 21.2214 21.2231 21.3047 21.3047 k = 0.0000 0.0806 0.3487 ( 764 PWs) bands (ev): -9.2743 -9.2743 -4.1476 -4.1475 5.3580 5.3588 6.2805 6.2805 7.4422 7.4438 8.2409 8.2418 10.3704 10.3720 10.8629 10.8629 16.2918 16.2927 16.6182 16.6183 21.1818 21.1837 21.2828 21.2828 k = 0.0000 0.0887 0.3487 ( 764 PWs) bands (ev): -9.2533 -9.2533 -4.1248 -4.1247 5.2140 5.2147 6.2918 6.2918 7.4061 7.4076 8.2875 8.2886 10.3019 10.3037 10.8784 10.8784 16.3512 16.3520 16.7117 16.7120 21.1389 21.1409 21.2588 21.2588 k = 0.0000 0.0968 0.3487 ( 768 PWs) bands (ev): -9.2304 -9.2303 -4.1000 -4.0998 5.0648 5.0655 6.3040 6.3040 7.3640 7.3653 8.3326 8.3339 10.2335 10.2354 10.8953 10.8953 16.4118 16.4125 16.8122 16.8127 21.0925 21.0947 21.2326 21.2326 k = 0.0000 0.1048 0.3487 ( 772 PWs) bands (ev): -9.2055 -9.2055 -4.0729 -4.0728 4.9112 4.9118 6.3172 6.3172 7.3153 7.3166 8.3758 8.3773 10.1664 10.1683 10.9135 10.9136 16.4728 16.4734 16.9191 16.9198 21.0433 21.0456 21.2042 21.2042 k = 0.0000 0.1129 0.3487 ( 772 PWs) bands (ev): -9.1787 -9.1786 -4.0438 -4.0436 4.7537 4.7542 6.3314 6.3314 7.2598 7.2609 8.4169 8.4186 10.1017 10.1038 10.9331 10.9332 16.5341 16.5345 17.0315 17.0325 20.9912 20.9937 21.1739 21.1740 k = 0.0000 0.1210 0.3487 ( 772 PWs) bands (ev): -9.1500 -9.1499 -4.0125 -4.0124 4.5930 4.5934 6.3466 6.3466 7.1971 7.1981 8.4556 8.4574 10.0407 10.0429 10.9541 10.9541 16.5951 16.5954 17.1489 17.1501 20.9366 20.9392 21.1417 21.1417 k = 0.0000 0.1290 0.3487 ( 772 PWs) bands (ev): -9.1194 -9.1193 -3.9792 -3.9790 4.4295 4.4298 6.3626 6.3627 7.1270 7.1279 8.4918 8.4937 9.9842 9.9865 10.9762 10.9762 16.6556 16.6557 17.2703 17.2718 20.8796 20.8823 21.1075 21.1075 k = 0.0000 0.1371 0.3487 ( 772 PWs) bands (ev): -9.0869 -9.0868 -3.9437 -3.9435 4.2636 4.2639 6.3796 6.3796 7.0492 7.0501 8.5254 8.5274 9.9332 9.9355 10.9996 10.9997 16.7151 16.7152 17.3952 17.3969 20.8204 20.8232 21.0715 21.0715 k = 0.0000 0.1452 0.3487 ( 768 PWs) bands (ev): -9.0526 -9.0525 -3.9062 -3.9059 4.0959 4.0961 6.3973 6.3973 6.9638 6.9646 8.5564 8.5585 9.8881 9.8905 11.0243 11.0243 16.7736 16.7736 17.5228 17.5247 20.7594 20.7624 21.0338 21.0338 k = 0.0000 0.1532 0.3487 ( 768 PWs) bands (ev): -9.0164 -9.0164 -3.8666 -3.8663 3.9265 3.9267 6.4159 6.4159 6.8708 6.8715 8.5848 8.5870 9.8495 9.8519 11.0500 11.0501 16.8305 16.8306 17.6523 17.6544 20.6968 20.6998 20.9943 20.9943 k = 0.0000 0.1613 0.3487 ( 772 PWs) bands (ev): -8.9785 -8.9785 -3.8250 -3.8247 3.7558 3.7559 6.4352 6.4352 6.7703 6.7709 8.6106 8.6128 9.8176 9.8201 11.0769 11.0769 16.8859 16.8860 17.7829 17.7852 20.6326 20.6357 20.9531 20.9531 k = 0.0000 0.1694 0.3487 ( 776 PWs) bands (ev): -8.9389 -8.9388 -3.7813 -3.7810 3.5843 3.5844 6.4552 6.4552 6.6627 6.6633 8.6339 8.6362 9.7925 9.7949 11.1049 11.1049 16.9396 16.9397 17.9141 17.9165 20.5674 20.5706 20.9105 20.9105 k = 0.0000 0.1774 0.3487 ( 776 PWs) bands (ev): -8.8974 -8.8974 -3.7357 -3.7353 3.4122 3.4122 6.4759 6.4759 6.5485 6.5490 8.6551 8.6574 9.7739 9.7763 11.1339 11.1339 16.9913 16.9915 18.0452 18.0479 20.5016 20.5049 20.8664 20.8664 k = 0.0000 0.1855 0.3487 ( 776 PWs) bands (ev): -8.8543 -8.8543 -3.6880 -3.6877 3.2397 3.2398 6.4278 6.4282 6.4974 6.4975 8.6742 8.6764 9.7616 9.7640 11.1639 11.1639 17.0409 17.0411 18.1758 18.1786 20.4354 20.4388 20.8209 20.8209 k = 0.0000 0.1935 0.3487 ( 776 PWs) bands (ev): -8.8096 -8.8095 -3.6384 -3.6380 3.0671 3.0673 6.3016 6.3019 6.5193 6.5193 8.6914 8.6936 9.7553 9.7577 11.1947 11.1948 17.0882 17.0885 18.3050 18.3080 20.3691 20.3725 20.7742 20.7742 k = 0.0000 0.2016 0.3487 ( 776 PWs) bands (ev): -8.7632 -8.7631 -3.5868 -3.5865 2.8948 2.8950 6.1701 6.1704 6.5418 6.5418 8.7069 8.7092 9.7545 9.7568 11.2265 11.2265 17.1331 17.1334 18.4326 18.4356 20.3030 20.3065 20.7263 20.7263 k = 0.0000 0.2097 0.3487 ( 776 PWs) bands (ev): -8.7152 -8.7152 -3.5334 -3.5330 2.7229 2.7231 6.0340 6.0342 6.5648 6.5649 8.7211 8.7233 9.7586 9.7608 11.2590 11.2590 17.1753 17.1756 18.5578 18.5610 20.2376 20.2412 20.6774 20.6774 k = 0.0000 0.2177 0.3487 ( 776 PWs) bands (ev): -8.6658 -8.6657 -3.4781 -3.4777 2.5516 2.5520 5.8939 5.8940 6.5883 6.5883 8.7342 8.7363 9.7671 9.7693 11.2923 11.2923 17.2148 17.2150 18.6804 18.6836 20.1732 20.1768 20.6276 20.6276 k = 0.0000 0.2258 0.3487 ( 776 PWs) bands (ev): -8.6148 -8.6147 -3.4210 -3.4206 2.3813 2.3817 5.7501 5.7502 6.6122 6.6122 8.7463 8.7484 9.7796 9.7818 11.3262 11.3262 17.2512 17.2515 18.7998 18.8032 20.1102 20.1138 20.5770 20.5770 k = 0.0000 0.2339 0.3487 ( 776 PWs) bands (ev): -8.5625 -8.5624 -3.3621 -3.3616 2.2121 2.2126 5.6034 5.6034 6.6364 6.6364 8.7576 8.7596 9.7956 9.7976 11.3608 11.3608 17.2844 17.2847 18.9157 18.9192 20.0490 20.0526 20.5257 20.5257 k = 0.0000 0.2419 0.3487 ( 774 PWs) bands (ev): -8.5088 -8.5087 -3.3015 -3.3010 2.0443 2.0448 5.4541 5.4541 6.6609 6.6609 8.7684 8.7703 9.8146 9.8165 11.3958 11.3958 17.3142 17.3145 19.0278 19.0314 19.9900 19.9936 20.4738 20.4738 k = 0.0000 0.2500 0.3487 ( 774 PWs) bands (ev): -8.4538 -8.4537 -3.2392 -3.2387 1.8781 1.8786 5.3027 5.3027 6.6856 6.6856 8.7787 8.7805 9.8361 9.8380 11.4313 11.4313 17.3403 17.3406 19.1358 19.1394 19.9336 19.9372 20.4215 20.4215 k = 0.0000 0.2581 0.3487 ( 772 PWs) bands (ev): -8.3976 -8.3975 -3.1754 -3.1748 1.7137 1.7143 5.1496 5.1497 6.7105 6.7105 8.7886 8.7904 9.8599 9.8617 11.4672 11.4672 17.3627 17.3630 19.2395 19.2432 19.8801 19.8837 20.3689 20.3689 k = 0.0000 0.2661 0.3487 ( 772 PWs) bands (ev): -8.3404 -8.3402 -3.1100 -3.1094 1.5513 1.5520 4.9952 4.9953 6.7355 6.7355 8.7982 8.7999 9.8855 9.8872 11.5033 11.5033 17.3810 17.3813 19.3387 19.3423 19.8301 19.8337 20.3162 20.3162 k = 0.0000 0.2742 0.3487 ( 772 PWs) bands (ev): -8.2820 -8.2819 -3.0432 -3.0426 1.3912 1.3920 4.8399 4.8400 6.7606 6.7606 8.8076 8.8092 9.9126 9.9143 11.5397 11.5397 17.3951 17.3954 19.4331 19.4367 19.7839 19.7874 20.2634 20.2634 k = 0.0000 0.2823 0.3487 ( 772 PWs) bands (ev): -8.2228 -8.2227 -2.9751 -2.9745 1.2337 1.2345 4.6840 4.6842 6.7856 6.7856 8.8168 8.8183 9.9411 9.9427 11.5761 11.5761 17.4049 17.4052 19.5224 19.5260 19.7421 19.7455 20.2108 20.2108 k = 0.0000 0.2903 0.3487 ( 772 PWs) bands (ev): -8.1627 -8.1626 -2.9058 -2.9051 1.0790 1.0799 4.5278 4.5280 6.8105 6.8105 8.8258 8.8273 9.9707 9.9722 11.6125 11.6125 17.4104 17.4107 19.6055 19.6087 19.7065 19.7094 20.1584 20.1584 k = 0.0000 0.2984 0.3487 ( 770 PWs) bands (ev): -8.1019 -8.1018 -2.8355 -2.8347 0.9274 0.9283 4.3716 4.3719 6.8353 6.8353 8.8347 8.8362 10.0010 10.0025 11.6489 11.6489 17.4114 17.4118 19.6562 19.6585 19.7030 19.7056 20.1064 20.1064 k = 0.0000 0.3065 0.3487 ( 766 PWs) bands (ev): -8.0405 -8.0404 -2.7643 -2.7635 0.7793 0.7803 4.2158 4.2161 6.8598 6.8598 8.8435 8.8448 10.0320 10.0334 11.6851 11.6851 17.4081 17.4085 19.6352 19.6387 19.7692 19.7731 20.0551 20.0551 k = 0.0000 0.3145 0.3487 ( 762 PWs) bands (ev): -7.9787 -7.9785 -2.6924 -2.6915 0.6349 0.6359 4.0605 4.0608 6.8841 6.8841 8.8521 8.8534 10.0634 10.0648 11.7209 11.7209 17.4006 17.4010 19.6118 19.6152 19.8390 19.8429 20.0044 20.0044 k = 0.0000 0.3226 0.3487 ( 762 PWs) bands (ev): -7.9166 -7.9164 -2.6201 -2.6192 0.4946 0.4957 3.9061 3.9064 6.9080 6.9080 8.8605 8.8618 10.0950 10.0963 11.7564 11.7564 17.3890 17.3894 19.5918 19.5952 19.9047 19.9086 19.9547 19.9547 k = 0.0000 0.3306 0.3487 ( 766 PWs) bands (ev): -7.8543 -7.8542 -2.5477 -2.5467 0.3588 0.3600 3.7526 3.7530 6.9314 6.9314 8.8688 8.8700 10.1267 10.1279 11.7913 11.7913 17.3737 17.3741 19.5760 19.5792 19.9052 19.9052 19.9670 19.9707 k = 0.0000 0.3387 0.3487 ( 770 PWs) bands (ev): -7.7921 -7.7920 -2.4756 -2.4745 0.2281 0.2294 3.6006 3.6010 6.9542 6.9542 8.8769 8.8780 10.1583 10.1595 11.8257 11.8257 17.3549 17.3553 19.5641 19.5672 19.8575 19.8575 20.0242 20.0279 k = 0.0000 0.3468 0.3487 ( 770 PWs) bands (ev): -7.7301 -7.7300 -2.4041 -2.4029 0.1030 0.1045 3.4501 3.4505 6.9766 6.9766 8.8847 8.8858 10.1896 10.1907 11.8593 11.8593 17.3332 17.3336 19.5559 19.5589 19.8110 19.8110 20.0773 20.0809 k = 0.0000 0.3548 0.3487 ( 770 PWs) bands (ev): -7.6686 -7.6685 -2.3338 -2.3326 -0.0158 -0.0142 3.3016 3.3020 6.9983 6.9983 8.8924 8.8934 10.2205 10.2216 11.8921 11.8921 17.3089 17.3094 19.5512 19.5541 19.7660 19.7660 20.1264 20.1299 k = 0.0000 0.3629 0.3487 ( 770 PWs) bands (ev): -7.6078 -7.6077 -2.2655 -2.2641 -0.1276 -0.1259 3.1551 3.1555 7.0194 7.0194 8.8998 8.9007 10.2508 10.2518 11.9239 11.9239 17.2826 17.2831 19.5495 19.5523 19.7226 19.7226 20.1714 20.1749 k = 0.0000 0.3710 0.3487 ( 774 PWs) bands (ev): -7.5479 -7.5478 -2.1998 -2.1983 -0.2315 -0.2297 3.0110 3.0114 7.0397 7.0397 8.9069 8.9077 10.2804 10.2813 11.9547 11.9547 17.2547 17.2552 19.5505 19.5531 19.6807 19.6807 20.2127 20.2160 k = 0.0000 0.3790 0.3487 ( 774 PWs) bands (ev): -7.4892 -7.4891 -2.1377 -2.1362 -0.3265 -0.3246 2.8697 2.8701 7.0591 7.0591 8.9137 8.9145 10.3091 10.3100 11.9843 11.9843 17.2257 17.2263 19.5538 19.5563 19.6407 19.6407 20.2504 20.2536 k = 0.0000 0.3871 0.3487 ( 778 PWs) bands (ev): -7.4320 -7.4318 -2.0804 -2.0787 -0.4114 -0.4094 2.7315 2.7320 7.0776 7.0776 8.9201 8.9208 10.3368 10.3376 12.0126 12.0126 17.1962 17.1967 19.5586 19.5610 19.6028 19.6029 20.2846 20.2877 k = 0.0000 0.3952 0.3487 ( 778 PWs) bands (ev): -7.3765 -7.3764 -2.0290 -2.0273 -0.4850 -0.4828 2.5968 2.5973 7.0951 7.0951 8.9262 8.9269 10.3633 10.3641 12.0395 12.0395 17.1665 17.1670 19.5619 19.5628 19.5702 19.5715 20.3157 20.3186 k = 0.0000 0.4032 0.3487 ( 778 PWs) bands (ev): -7.3232 -7.3230 -1.9849 -1.9831 -0.5459 -0.5437 2.4661 2.4666 7.1116 7.1116 8.9320 8.9326 10.3886 10.3893 12.0649 12.0649 17.1371 17.1376 19.5321 19.5321 19.5739 19.5760 20.3436 20.3463 k = 0.0000 0.4113 0.3487 ( 782 PWs) bands (ev): -7.2722 -7.2721 -1.9492 -1.9474 -0.5933 -0.5911 2.3399 2.3404 7.1270 7.1270 8.9373 8.9379 10.4123 10.4130 12.0887 12.0887 17.1085 17.1090 19.5006 19.5006 19.5823 19.5842 20.3686 20.3711 k = 0.0000 0.4194 0.3487 ( 782 PWs) bands (ev): -7.2241 -7.2240 -1.9227 -1.9209 -0.6265 -0.6242 2.2188 2.2193 7.1412 7.1412 8.9423 8.9428 10.4346 10.4352 12.1108 12.1108 17.0811 17.0815 19.4714 19.4714 19.5911 19.5929 20.3908 20.3932 k = 0.0000 0.4274 0.3487 ( 778 PWs) bands (ev): -7.1790 -7.1789 -1.9056 -1.9038 -0.6455 -0.6433 2.1037 2.1042 7.1543 7.1543 8.9469 8.9474 10.4552 10.4557 12.1311 12.1311 17.0552 17.0556 19.4448 19.4448 19.6003 19.6019 20.4106 20.4128 k = 0.0000 0.4355 0.3487 ( 776 PWs) bands (ev): -7.1375 -7.1374 -1.8972 -1.8955 -0.6515 -0.6495 1.9952 1.9957 7.1662 7.1662 8.9510 8.9515 10.4739 10.4744 12.1496 12.1496 17.0311 17.0315 19.4206 19.4206 19.6092 19.6106 20.4278 20.4297 k = 0.0000 0.4435 0.3487 ( 776 PWs) bands (ev): -7.0998 -7.0997 -1.8962 -1.8947 -0.6466 -0.6447 1.8946 1.8950 7.1767 7.1767 8.9547 8.9551 10.4907 10.4912 12.1660 12.1660 17.0092 17.0095 19.3991 19.3991 19.6176 19.6189 20.4426 20.4443 k = 0.0000 0.4516 0.3487 ( 780 PWs) bands (ev): -7.0663 -7.0663 -1.9008 -1.8994 -0.6333 -0.6316 1.8028 1.8033 7.1858 7.1858 8.9579 8.9582 10.5055 10.5059 12.1804 12.1804 16.9896 16.9899 19.3803 19.3803 19.6254 19.6265 20.4551 20.4566 k = 0.0000 0.4597 0.3487 ( 780 PWs) bands (ev): -7.0374 -7.0373 -1.9087 -1.9076 -0.6147 -0.6133 1.7214 1.7218 7.1937 7.1937 8.9607 8.9609 10.5182 10.5185 12.1928 12.1928 16.9727 16.9730 19.3643 19.3643 19.6323 19.6333 20.4655 20.4668 k = 0.0000 0.4677 0.3487 ( 780 PWs) bands (ev): -7.0132 -7.0132 -1.9181 -1.9172 -0.5940 -0.5928 1.6517 1.6521 7.2001 7.2001 8.9629 8.9631 10.5287 10.5290 12.2029 12.2029 16.9586 16.9589 19.3511 19.3511 19.6383 19.6390 20.4740 20.4750 k = 0.0000 0.4758 0.3487 ( 780 PWs) bands (ev): -6.9941 -6.9941 -1.9272 -1.9265 -0.5742 -0.5733 1.5954 1.5956 7.2052 7.2052 8.9647 8.9649 10.5370 10.5372 12.2109 12.2109 16.9475 16.9477 19.3408 19.3408 19.6430 19.6436 20.4805 20.4813 k = 0.0000 0.4839 0.3487 ( 784 PWs) bands (ev): -6.9803 -6.9803 -1.9347 -1.9342 -0.5579 -0.5573 1.5538 1.5540 7.2088 7.2088 8.9660 8.9661 10.5428 10.5430 12.2166 12.2166 16.9395 16.9396 19.3334 19.3334 19.6465 19.6469 20.4850 20.4855 k = 0.0000 0.4919 0.3487 ( 784 PWs) bands (ev): -6.9720 -6.9720 -1.9395 -1.9392 -0.5472 -0.5469 1.5283 1.5284 7.2110 7.2110 8.9667 8.9668 10.5464 10.5465 12.2200 12.2200 16.9347 16.9347 19.3290 19.3290 19.6487 19.6489 20.4878 20.4881 k = 0.0000 0.5000 0.3487 ( 784 PWs) bands (ev): -6.9692 -6.9692 -1.9410 -1.9410 -0.5434 -0.5434 1.5198 1.5198 7.2117 7.2117 8.9670 8.9670 10.5476 10.5476 12.2212 12.2212 16.9331 16.9331 19.3275 19.3275 19.6495 19.6495 20.4889 20.4889 k = 0.0000 0.5000 0.3487 ( 784 PWs) bands (ev): -6.9692 -6.9692 -1.9410 -1.9410 -0.5434 -0.5434 1.5198 1.5198 7.2117 7.2117 8.9670 8.9670 10.5476 10.5476 12.2212 12.2212 16.9331 16.9331 19.3275 19.3275 19.6495 19.6495 20.4889 20.4889 k = 0.0081 0.5000 0.3487 ( 784 PWs) bands (ev): -6.9683 -6.9683 -1.9401 -1.9401 -0.5424 -0.5424 1.5208 1.5208 7.2062 7.2063 8.9656 8.9656 10.5455 10.5456 12.2162 12.2164 16.9380 16.9380 19.3263 19.3264 19.6516 19.6516 20.4911 20.4912 k = 0.0161 0.5000 0.3487 ( 784 PWs) bands (ev): -6.9655 -6.9655 -1.9373 -1.9373 -0.5395 -0.5394 1.5240 1.5240 7.1899 7.1900 8.9613 8.9614 10.5391 10.5393 12.2016 12.2019 16.9526 16.9527 19.3229 19.3229 19.6579 19.6580 20.4977 20.4980 k = 0.0242 0.5000 0.3487 ( 780 PWs) bands (ev): -6.9608 -6.9608 -1.9326 -1.9326 -0.5346 -0.5345 1.5293 1.5293 7.1631 7.1633 8.9542 8.9543 10.5285 10.5288 12.1774 12.1779 16.9769 16.9771 19.3172 19.3173 19.6686 19.6687 20.5088 20.5092 k = 0.0323 0.5000 0.3487 ( 780 PWs) bands (ev): -6.9543 -6.9543 -1.9261 -1.9261 -0.5278 -0.5277 1.5367 1.5367 7.1255 7.1258 8.9443 8.9443 10.5136 10.5141 12.1438 12.1446 17.0104 17.0106 19.3094 19.3094 19.6835 19.6836 20.5241 20.5246 k = 0.0403 0.5000 0.3487 ( 776 PWs) bands (ev): -6.9459 -6.9459 -1.9177 -1.9177 -0.5191 -0.5189 1.5462 1.5462 7.0780 7.0783 8.9315 8.9315 10.4945 10.4951 12.1012 12.1021 17.0528 17.0529 19.2995 19.2995 19.7027 19.7030 20.5433 20.5440 k = 0.0484 0.5000 0.3487 ( 776 PWs) bands (ev): -6.9357 -6.9357 -1.9075 -1.9074 -0.5084 -0.5082 1.5578 1.5579 7.0205 7.0210 8.9158 8.9158 10.4711 10.4719 12.0498 12.0509 17.1034 17.1035 19.2877 19.2878 19.7264 19.7268 20.5663 20.5670 k = 0.0565 0.5000 0.3487 ( 772 PWs) bands (ev): -6.9237 -6.9236 -1.8954 -1.8953 -0.4958 -0.4956 1.5715 1.5716 6.9538 6.9543 8.8972 8.8973 10.4435 10.4444 11.9901 11.9913 17.1616 17.1618 19.2742 19.2744 19.7545 19.7551 20.5927 20.5936 k = 0.0645 0.5000 0.3487 ( 772 PWs) bands (ev): -6.9098 -6.9097 -1.8815 -1.8814 -0.4813 -0.4810 1.5873 1.5874 6.8783 6.8789 8.8757 8.8758 10.4116 10.4126 11.9225 11.9239 17.2269 17.2270 19.2592 19.2594 19.7873 19.7881 20.6221 20.6230 k = 0.0726 0.5000 0.3487 ( 780 PWs) bands (ev): -6.8940 -6.8940 -1.8657 -1.8656 -0.4649 -0.4646 1.6052 1.6053 6.7944 6.7951 8.8512 8.8513 10.3753 10.3765 11.8474 11.8490 17.2982 17.2983 19.2426 19.2430 19.8246 19.8256 20.6541 20.6551 k = 0.0806 0.5000 0.3487 ( 780 PWs) bands (ev): -6.8765 -6.8764 -1.8481 -1.8480 -0.4467 -0.4463 1.6252 1.6254 6.7029 6.7037 8.8238 8.8240 10.3348 10.3361 11.7655 11.7673 17.3751 17.3751 19.2251 19.2256 19.8670 19.8683 20.6885 20.6896 k = 0.0887 0.5000 0.3487 ( 780 PWs) bands (ev): -6.8571 -6.8571 -1.8288 -1.8287 -0.4265 -0.4262 1.6474 1.6475 6.6043 6.6052 8.7934 8.7936 10.2899 10.2913 11.6772 11.6792 17.4563 17.4564 19.2069 19.2075 19.9143 19.9159 20.7248 20.7259 k = 0.0968 0.5000 0.3487 ( 780 PWs) bands (ev): -6.8360 -6.8359 -1.8076 -1.8075 -0.4046 -0.4042 1.6716 1.6718 6.4992 6.5002 8.7600 8.7603 10.2406 10.2421 11.5832 11.5853 17.5412 17.5413 19.1881 19.1888 19.9668 19.9687 20.7627 20.7639 k = 0.1048 0.5000 0.3487 ( 780 PWs) bands (ev): -6.8131 -6.8130 -1.7847 -1.7846 -0.3808 -0.3804 1.6979 1.6981 6.3882 6.3892 8.7237 8.7240 10.1869 10.1885 11.4838 11.4861 17.6288 17.6291 19.1691 19.1699 20.0246 20.0268 20.8019 20.8032 k = 0.1129 0.5000 0.3487 ( 780 PWs) bands (ev): -6.7884 -6.7883 -1.7600 -1.7599 -0.3553 -0.3548 1.7263 1.7265 6.2718 6.2729 8.6843 8.6848 10.1288 10.1306 11.3798 11.3822 17.7184 17.7188 19.1501 19.1510 20.0876 20.0901 20.8421 20.8433 k = 0.1210 0.5000 0.3487 ( 780 PWs) bands (ev): -6.7619 -6.7618 -1.7336 -1.7334 -0.3281 -0.3275 1.7568 1.7571 6.1506 6.1518 8.6420 8.6425 10.0663 10.0682 11.2716 11.2741 17.8091 17.8097 19.1314 19.1324 20.1560 20.1588 20.8829 20.8842 k = 0.1290 0.5000 0.3487 ( 780 PWs) bands (ev): -6.7338 -6.7337 -1.7055 -1.7053 -0.2991 -0.2985 1.7894 1.7897 6.0252 6.0265 8.5966 8.5972 9.9993 10.0014 11.1597 11.1624 17.9001 17.9009 19.1135 19.1145 20.2296 20.2328 20.9242 20.9255 k = 0.1371 0.5000 0.3487 ( 780 PWs) bands (ev): -6.7039 -6.7038 -1.6757 -1.6755 -0.2685 -0.2678 1.8241 1.8244 5.8960 5.8974 8.5483 8.5489 9.9280 9.9302 11.0447 11.0475 17.9907 17.9917 19.0965 19.0975 20.3085 20.3121 20.9657 20.9670 k = 0.1452 0.5000 0.3487 ( 780 PWs) bands (ev): -6.6723 -6.6722 -1.6442 -1.6440 -0.2362 -0.2355 1.8609 1.8611 5.7637 5.7651 8.4971 8.4978 9.8522 9.8545 10.9270 10.9299 18.0803 18.0816 19.0809 19.0819 20.3923 20.3962 21.0071 21.0084 k = 0.1532 0.5000 0.3487 ( 780 PWs) bands (ev): -6.6391 -6.6390 -1.6111 -1.6109 -0.2024 -0.2017 1.8997 1.9000 5.6286 5.6301 8.4428 8.4436 9.7721 9.7745 10.8071 10.8101 18.1683 18.1698 19.0670 19.0680 20.4808 20.4852 21.0484 21.0497 k = 0.1613 0.5000 0.3487 ( 780 PWs) bands (ev): -6.6042 -6.6041 -1.5764 -1.5762 -0.1671 -0.1663 1.9406 1.9409 5.4912 5.4928 8.3856 8.3864 9.6876 9.6901 10.6854 10.6885 18.2540 18.2558 19.0553 19.0563 20.5738 20.5785 21.0894 21.0906 k = 0.1694 0.5000 0.3487 ( 776 PWs) bands (ev): -6.5678 -6.5676 -1.5401 -1.5399 -0.1304 -0.1296 1.9836 1.9839 5.3521 5.3538 8.3255 8.3264 9.5988 9.6014 10.5623 10.5655 18.3370 18.3392 19.0465 19.0473 20.6708 20.6758 21.1299 21.1312 k = 0.1774 0.5000 0.3487 ( 776 PWs) bands (ev): -6.5297 -6.5296 -1.5023 -1.5021 -0.0923 -0.0914 2.0286 2.0289 5.2115 5.2133 8.2626 8.2635 9.5058 9.5085 10.4382 10.4415 18.4165 18.4191 19.0408 19.0415 20.7710 20.7764 21.1699 21.1711 k = 0.1855 0.5000 0.3487 ( 776 PWs) bands (ev): -6.4901 -6.4900 -1.4630 -1.4628 -0.0530 -0.0520 2.0756 2.0760 5.0698 5.0717 8.1969 8.1979 9.4088 9.4116 10.3132 10.3166 18.4921 18.4951 19.0393 19.0398 20.8739 20.8797 21.2093 21.2105 k = 0.1935 0.5000 0.3487 ( 776 PWs) bands (ev): -6.4491 -6.4489 -1.4223 -1.4220 -0.0125 -0.0114 2.1247 2.1251 4.9278 4.9298 8.1284 8.1294 9.3080 9.3107 10.1878 10.1913 18.5627 18.5663 19.0429 19.0430 20.9788 20.9849 21.2480 21.2491 k = 0.2016 0.5000 0.3487 ( 776 PWs) bands (ev): -6.4065 -6.4064 -1.3801 -1.3799 0.0291 0.0302 2.1759 2.1763 4.7855 4.7877 8.0572 8.0583 9.2034 9.2062 10.0622 10.0656 18.6275 18.6316 19.0525 19.0528 21.0849 21.0914 21.2859 21.2869 k = 0.2097 0.5000 0.3487 ( 772 PWs) bands (ev): -6.3626 -6.3624 -1.3366 -1.3363 0.0716 0.0728 2.2291 2.2295 4.6436 4.6459 7.9834 7.9845 9.0955 9.0983 9.9363 9.9398 18.6852 18.6900 19.0696 19.0704 21.1914 21.1982 21.3230 21.3239 k = 0.2177 0.5000 0.3487 ( 772 PWs) bands (ev): -6.3173 -6.3171 -1.2918 -1.2915 0.1149 0.1161 2.2843 2.2847 4.5023 4.5047 7.9070 7.9082 8.9844 8.9872 9.8105 9.8139 18.7350 18.7404 19.0956 19.0967 21.2973 21.3047 21.3594 21.3600 k = 0.2258 0.5000 0.3487 ( 772 PWs) bands (ev): -6.2706 -6.2705 -1.2457 -1.2455 0.1587 0.1601 2.3415 2.3419 4.3621 4.3646 7.8282 7.8295 8.8705 8.8733 9.6846 9.6880 18.7768 18.7825 19.1309 19.1323 21.3918 21.3951 21.4050 21.4099 k = 0.2339 0.5000 0.3487 ( 772 PWs) bands (ev): -6.2228 -6.2226 -1.1985 -1.1983 0.2030 0.2045 2.4007 2.4011 4.2234 4.2260 7.7471 7.7484 8.7542 8.7569 9.5588 9.5621 18.8113 18.8174 19.1748 19.1765 21.4280 21.4293 21.5058 21.5129 k = 0.2419 0.5000 0.3487 ( 772 PWs) bands (ev): -6.1737 -6.1735 -1.1502 -1.1499 0.2475 0.2491 2.4619 2.4623 4.0866 4.0893 7.6638 7.6651 8.6358 8.6385 9.4330 9.4363 18.8406 18.8467 19.2259 19.2276 21.4614 21.4624 21.6055 21.6131 k = 0.2500 0.5000 0.3487 ( 772 PWs) bands (ev): -6.1235 -6.1233 -1.1008 -1.1006 0.2919 0.2936 2.5250 2.5255 3.9522 3.9550 7.5783 7.5797 8.5157 8.5183 9.3073 9.3105 18.8664 18.8726 19.2823 19.2839 21.4937 21.4946 21.7017 21.7095 k = 0.2581 0.5000 0.3487 ( 768 PWs) bands (ev): -6.0722 -6.0720 -1.0505 -1.0502 0.3360 0.3378 2.5902 2.5907 3.8206 3.8236 7.4909 7.4923 8.3943 8.3969 9.1815 9.1846 18.8907 18.8969 19.3424 19.3439 21.5250 21.5258 21.7936 21.8017 k = 0.2661 0.5000 0.3487 ( 768 PWs) bands (ev): -6.0200 -6.0198 -0.9993 -0.9990 0.3793 0.3812 2.6573 2.6578 3.6925 3.6955 7.4016 7.4031 8.2721 8.2745 9.0557 9.0587 18.9145 18.9206 19.4049 19.4064 21.5553 21.5560 21.8803 21.8886 k = 0.2742 0.5000 0.3487 ( 764 PWs) bands (ev): -5.9668 -5.9666 -0.9474 -0.9471 0.4215 0.4235 2.7263 2.7268 3.5683 3.5715 7.3106 7.3121 8.1493 8.1516 8.9298 8.9327 18.9389 18.9449 19.4692 19.4706 21.5846 21.5853 21.9614 21.9698 k = 0.2823 0.5000 0.3487 ( 764 PWs) bands (ev): -5.9129 -5.9127 -0.8946 -0.8943 0.4621 0.4643 2.7973 2.7979 3.4486 3.4520 7.2181 7.2196 8.0264 8.0286 8.8037 8.8066 18.9642 18.9703 19.5347 19.5360 21.6131 21.6137 22.0360 22.0445 k = 0.2903 0.5000 0.3487 ( 772 PWs) bands (ev): -5.8583 -5.8581 -0.8414 -0.8411 0.5005 0.5029 2.8702 2.8707 3.3342 3.3377 7.1240 7.1256 7.9037 7.9058 8.6775 8.6802 18.9910 18.9970 19.6009 19.6022 21.6403 21.6409 22.1038 22.1124 k = 0.2984 0.5000 0.3487 ( 772 PWs) bands (ev): -5.8031 -5.8029 -0.7877 -0.7874 0.5363 0.5387 2.9449 2.9455 3.2258 3.2295 7.0289 7.0305 7.7817 7.7837 8.5512 8.5538 19.0197 19.0257 19.6678 19.6690 21.6668 21.6673 22.1646 22.1733 k = 0.3065 0.5000 0.3487 ( 772 PWs) bands (ev): -5.7474 -5.7472 -0.7337 -0.7334 0.5686 0.5712 3.0215 3.0221 3.1243 3.1281 6.9327 6.9343 7.6606 7.6625 8.4247 8.4272 19.0502 19.0562 19.7350 19.7362 21.6924 21.6928 22.2181 22.2268 k = 0.3145 0.5000 0.3487 ( 772 PWs) bands (ev): -5.6914 -5.6912 -0.6795 -0.6792 0.5968 0.5996 3.0304 3.0344 3.1000 3.1007 6.8357 6.8373 7.5409 7.5427 8.2981 8.3005 19.0827 19.0886 19.8026 19.8038 21.7171 21.7175 22.2640 22.2728 k = 0.3226 0.5000 0.3487 ( 772 PWs) bands (ev): -5.6352 -5.6350 -0.6252 -0.6248 0.6201 0.6230 2.9451 2.9493 3.1803 3.1810 6.7380 6.7396 7.4228 7.4245 8.1714 8.1737 19.1170 19.1229 19.8703 19.8715 21.7410 21.7414 22.3024 22.3111 k = 0.3306 0.5000 0.3487 ( 772 PWs) bands (ev): -5.5790 -5.5788 -0.5709 -0.5706 0.6377 0.6407 2.8693 2.8736 3.2625 3.2631 6.6398 6.6415 7.3067 7.3083 8.0447 8.0469 19.1532 19.1591 19.9381 19.9394 21.7641 21.7644 22.3331 22.3418 k = 0.3387 0.5000 0.3487 ( 780 PWs) bands (ev): -5.5229 -5.5226 -0.5170 -0.5167 0.6490 0.6520 2.8037 2.8081 3.3464 3.3471 6.5414 6.5431 7.1928 7.1943 7.9179 7.9200 19.1910 19.1968 20.0060 20.0073 21.7863 21.7866 22.3562 22.3647 k = 0.3468 0.5000 0.3487 ( 784 PWs) bands (ev): -5.4671 -5.4668 -0.4635 -0.4632 0.6533 0.6564 2.7491 2.7535 3.4320 3.4327 6.4431 6.4447 7.0815 7.0829 7.7911 7.7931 19.2305 19.2362 20.0738 20.0752 21.8077 21.8079 22.3721 22.3805 k = 0.3548 0.5000 0.3487 ( 784 PWs) bands (ev): -5.4118 -5.4115 -0.4106 -0.4103 0.6503 0.6535 2.7059 2.7103 3.5194 3.5201 6.3451 6.3467 6.9732 6.9745 7.6646 7.6665 19.2714 19.2771 20.1414 20.1429 21.8283 21.8285 22.3812 22.3893 k = 0.3629 0.5000 0.3487 ( 784 PWs) bands (ev): -5.3572 -5.3570 -0.3585 -0.3582 0.6400 0.6432 2.6741 2.6786 3.6084 3.6092 6.2476 6.2493 6.8681 6.8693 7.5382 7.5400 19.3136 19.3192 20.2087 20.2102 21.8481 21.8483 22.3836 22.3915 k = 0.3710 0.5000 0.3487 ( 788 PWs) bands (ev): -5.3035 -5.3033 -0.3075 -0.3072 0.6227 0.6257 2.6537 2.6581 3.6991 3.6999 6.1510 6.1527 6.7665 6.7675 7.4121 7.4139 19.3567 19.3623 20.2756 20.2772 21.8669 21.8671 22.3799 22.3875 k = 0.3790 0.5000 0.3487 ( 788 PWs) bands (ev): -5.2510 -5.2508 -0.2577 -0.2574 0.5988 0.6018 2.6440 2.6483 3.7914 3.7922 6.0557 6.0573 6.6687 6.6696 7.2865 7.2881 19.4005 19.4061 20.3418 20.3435 21.8850 21.8851 22.3704 22.3777 k = 0.3871 0.5000 0.3487 ( 784 PWs) bands (ev): -5.1999 -5.1997 -0.2094 -0.2091 0.5694 0.5723 2.6442 2.6483 3.8852 3.8861 5.9619 5.9635 6.5749 6.5758 7.1614 7.1630 19.4448 19.4502 20.4074 20.4091 21.9021 21.9023 22.3559 22.3629 k = 0.3952 0.5000 0.3487 ( 784 PWs) bands (ev): -5.1505 -5.1503 -0.1628 -0.1625 0.5355 0.5381 2.6532 2.6571 3.9805 3.9814 5.8701 5.8717 6.4855 6.4863 7.0371 7.0385 19.4890 19.4944 20.4719 20.4737 21.9183 21.9184 22.3368 22.3433 k = 0.4032 0.5000 0.3487 ( 780 PWs) bands (ev): -5.1031 -5.1029 -0.1182 -0.1179 0.4982 0.5007 2.6696 2.6733 4.0772 4.0781 5.7807 5.7823 6.4008 6.4014 6.9136 6.9150 19.5331 19.5382 20.5351 20.5370 21.9335 21.9336 22.3138 22.3198 k = 0.4113 0.5000 0.3487 ( 780 PWs) bands (ev): -5.0579 -5.0577 -0.0759 -0.0756 0.4589 0.4611 2.6921 2.6955 4.1752 4.1761 5.6943 5.6958 6.3208 6.3212 6.7914 6.7926 19.5762 19.5812 20.5968 20.5988 21.9476 21.9478 22.2873 22.2929 k = 0.4194 0.5000 0.3487 ( 780 PWs) bands (ev): -5.0152 -5.0151 -0.0361 -0.0358 0.4186 0.4207 2.7193 2.7225 4.2743 4.2753 5.6114 5.6128 6.2457 6.2460 6.6706 6.6717 19.6182 19.6230 20.6566 20.6586 21.9607 21.9608 22.2583 22.2634 k = 0.4274 0.5000 0.3487 ( 780 PWs) bands (ev): -4.9755 -4.9753 0.0010 0.0012 0.3787 0.3805 2.7497 2.7527 4.3745 4.3755 5.5326 5.5340 6.1756 6.1758 6.5519 6.5528 19.6585 19.6630 20.7141 20.7161 21.9727 21.9728 22.2275 22.2320 k = 0.4355 0.5000 0.3487 ( 780 PWs) bands (ev): -4.9388 -4.9387 0.0350 0.0352 0.3401 0.3417 2.7821 2.7848 4.4754 4.4764 5.4586 5.4599 6.1101 6.1102 6.4360 6.4368 19.6967 19.7008 20.7689 20.7708 21.9835 21.9837 22.1957 22.1997 k = 0.4435 0.5000 0.3487 ( 780 PWs) bands (ev): -4.9057 -4.9055 0.0657 0.0659 0.3039 0.3053 2.8151 2.8175 4.5768 4.5778 5.3903 5.3915 6.0484 6.0487 6.3244 6.3250 19.7321 19.7359 20.8202 20.8221 21.9932 21.9933 22.1638 22.1672 k = 0.4516 0.5000 0.3487 ( 780 PWs) bands (ev): -4.8762 -4.8761 0.0929 0.0930 0.2708 0.2720 2.8472 2.8493 4.6781 4.6792 5.3285 5.3295 5.9886 5.9893 6.2198 6.2201 19.7642 19.7676 20.8675 20.8692 22.0016 22.0017 22.1328 22.1357 k = 0.4597 0.5000 0.3487 ( 780 PWs) bands (ev): -4.8508 -4.8507 0.1163 0.1164 0.2416 0.2425 2.8772 2.8789 4.7786 4.7797 5.2740 5.2749 5.9271 5.9282 6.1269 6.1269 19.7926 19.7955 20.9099 20.9115 22.0087 22.0089 22.1037 22.1061 k = 0.4677 0.5000 0.3487 ( 780 PWs) bands (ev): -4.8296 -4.8296 0.1358 0.1359 0.2168 0.2176 2.9038 2.9053 4.8769 4.8780 5.2278 5.2285 5.8591 5.8605 6.0519 6.0522 19.8167 19.8191 20.9466 20.9480 22.0146 22.0148 22.0778 22.0795 k = 0.4758 0.5000 0.3487 ( 780 PWs) bands (ev): -4.8129 -4.8129 0.1511 0.1511 0.1971 0.1977 2.9260 2.9271 4.9704 4.9714 5.1907 5.1913 5.7838 5.7852 5.9989 5.9993 19.8360 19.8378 20.9766 20.9777 22.0190 22.0193 22.0562 22.0573 k = 0.4839 0.5000 0.3487 ( 780 PWs) bands (ev): -4.8009 -4.8008 0.1620 0.1621 0.1829 0.1833 2.9426 2.9434 5.0539 5.0548 5.1636 5.1641 5.7092 5.7104 5.9653 5.9656 19.8502 19.8515 20.9990 20.9998 22.0219 22.0223 22.0401 22.0406 k = 0.4919 0.5000 0.3487 ( 780 PWs) bands (ev): -4.7936 -4.7936 0.1682 0.1682 0.1748 0.1749 2.9530 2.9534 5.1168 5.1173 5.1472 5.1474 5.6502 5.6510 5.9468 5.9470 19.8590 19.8596 21.0129 21.0133 22.0225 22.0231 22.0311 22.0312 k = 0.5000 0.5000 0.3487 ( 784 PWs) bands (ev): -4.7911 -4.7911 0.1691 0.1691 0.1733 0.1733 2.9567 2.9567 5.1404 5.1404 5.1429 5.1429 5.6270 5.6270 5.9410 5.9410 19.8621 19.8621 21.0177 21.0177 22.0218 22.0218 22.0290 22.0290 k = 0.5000 0.5000 0.3487 ( 784 PWs) bands (ev): -4.7911 -4.7911 0.1691 0.1691 0.1733 0.1733 2.9567 2.9567 5.1404 5.1404 5.1429 5.1429 5.6270 5.6270 5.9410 5.9410 19.8621 19.8621 21.0177 21.0177 22.0218 22.0218 22.0290 22.0290 k = 0.4943 0.4943 0.3487 ( 778 PWs) bands (ev): -4.7936 -4.7935 0.1692 0.1694 0.1738 0.1738 2.9531 2.9534 5.1237 5.1241 5.1402 5.1404 5.6504 5.6512 5.9467 5.9469 19.8590 19.8597 21.0130 21.0134 22.0230 22.0237 22.0305 22.0309 k = 0.4886 0.4886 0.3487 ( 778 PWs) bands (ev): -4.8008 -4.8008 0.1686 0.1690 0.1763 0.1765 2.9426 2.9433 5.0791 5.0798 5.1358 5.1361 5.7133 5.7145 5.9639 5.9642 19.8503 19.8516 20.9990 20.9998 22.0264 22.0275 22.0351 22.0360 k = 0.4830 0.4830 0.3487 ( 778 PWs) bands (ev): -4.8129 -4.8128 0.1665 0.1671 0.1817 0.1819 2.9253 2.9264 5.0219 5.0227 5.1292 5.1297 5.8012 5.8027 5.9919 5.9924 19.8362 19.8380 20.9763 20.9775 22.0311 22.0324 22.0436 22.0452 k = 0.4773 0.4773 0.3487 ( 778 PWs) bands (ev): -4.8297 -4.8296 0.1632 0.1640 0.1896 0.1899 2.9015 2.9030 4.9617 4.9626 5.1212 5.1217 5.9042 5.9059 6.0299 6.0306 19.8170 19.8194 20.9454 20.9468 22.0365 22.0379 22.0559 22.0583 k = 0.4716 0.4716 0.3487 ( 778 PWs) bands (ev): -4.8511 -4.8510 0.1586 0.1595 0.1999 0.2002 2.8716 2.8734 4.9038 4.9045 5.1125 5.1131 6.0170 6.0189 6.0771 6.0779 19.7931 19.7961 20.9068 20.9085 22.0421 22.0436 22.0715 22.0746 k = 0.4659 0.4659 0.3487 ( 778 PWs) bands (ev): -4.8771 -4.8770 0.1527 0.1538 0.2125 0.2128 2.8359 2.8381 4.8506 4.8512 5.1038 5.1045 6.1325 6.1334 6.1366 6.1386 19.7650 19.7684 20.8613 20.8632 22.0475 22.0491 22.0898 22.0935 k = 0.4602 0.4602 0.3487 ( 778 PWs) bands (ev): -4.9076 -4.9074 0.1452 0.1464 0.2274 0.2277 2.7951 2.7976 4.8034 4.8040 5.0960 5.0967 6.1954 6.1963 6.2612 6.2633 19.7331 19.7370 20.8095 20.8117 22.0523 22.0539 22.1102 22.1145 k = 0.4545 0.4545 0.3487 ( 778 PWs) bands (ev): -4.9423 -4.9421 0.1358 0.1372 0.2445 0.2449 2.7499 2.7527 4.7630 4.7635 5.0895 5.0902 6.2648 6.2659 6.3896 6.3918 19.6980 19.7023 20.7522 20.7545 22.0561 22.0577 22.1322 22.1370 k = 0.4489 0.4489 0.3487 ( 778 PWs) bands (ev): -4.9812 -4.9810 0.1244 0.1260 0.2638 0.2643 2.7013 2.7044 4.7295 4.7299 5.0848 5.0856 6.3402 6.3414 6.5209 6.5232 19.6603 19.6649 20.6900 20.6925 22.0585 22.0601 22.1552 22.1605 k = 0.4432 0.4432 0.3487 ( 778 PWs) bands (ev): -5.0240 -5.0238 0.1106 0.1123 0.2854 0.2859 2.6502 2.6535 4.7028 4.7032 5.0823 5.0831 6.4211 6.4223 6.6545 6.6568 19.6204 19.6254 20.6237 20.6262 22.0591 22.0607 22.1785 22.1843 k = 0.4375 0.4375 0.3487 ( 778 PWs) bands (ev): -5.0707 -5.0705 0.0940 0.0959 0.3092 0.3097 2.5976 2.6011 4.6827 4.6830 5.0822 5.0830 6.5068 6.5081 6.7897 6.7921 19.5789 19.5842 20.5537 20.5563 22.0578 22.0594 22.2018 22.2079 k = 0.4318 0.4318 0.3487 ( 776 PWs) bands (ev): -5.1210 -5.1208 0.0744 0.0764 0.3352 0.3357 2.5446 2.5483 4.6689 4.6692 5.0847 5.0856 6.5970 6.5983 6.9261 6.9285 19.5363 19.5418 20.4807 20.4834 22.0545 22.0560 22.2243 22.2308 k = 0.4261 0.4261 0.3487 ( 776 PWs) bands (ev): -5.1747 -5.1745 0.0513 0.0535 0.3634 0.3639 2.4923 2.4962 4.6609 4.6611 5.0900 5.0908 6.6913 6.6926 7.0632 7.0657 19.4931 19.4989 20.4053 20.4080 22.0490 22.0505 22.2457 22.2524 k = 0.4205 0.4205 0.3487 ( 780 PWs) bands (ev): -5.2316 -5.2314 0.0244 0.0267 0.3937 0.3942 2.4418 2.4459 4.6583 4.6585 5.0980 5.0989 6.7892 6.7906 7.2006 7.2031 19.4497 19.4556 20.3279 20.3306 22.0412 22.0426 22.2653 22.2723 k = 0.4148 0.4148 0.3487 ( 778 PWs) bands (ev): -5.2916 -5.2914 -0.0067 -0.0043 0.4262 0.4267 2.3940 2.3982 4.6607 4.6610 5.1090 5.1099 6.8905 6.8918 7.3380 7.3406 19.4066 19.4127 20.2491 20.2517 22.0313 22.0326 22.2829 22.2901 k = 0.4091 0.4091 0.3487 ( 774 PWs) bands (ev): -5.3544 -5.3541 -0.0422 -0.0397 0.4608 0.4614 2.3499 2.3541 4.6678 4.6681 5.1229 5.1238 6.9947 6.9961 7.4751 7.4777 19.3642 19.3704 20.1693 20.1719 22.0193 22.0206 22.2979 22.3053 k = 0.4034 0.4034 0.3487 ( 778 PWs) bands (ev): -5.4198 -5.4196 -0.0824 -0.0799 0.4975 0.4981 2.3100 2.3143 4.6791 4.6794 5.1398 5.1407 7.1016 7.1030 7.6114 7.6140 19.3226 19.3290 20.0889 20.0915 22.0051 22.0063 22.3098 22.3174 k = 0.3977 0.3977 0.3487 ( 778 PWs) bands (ev): -5.4876 -5.4874 -0.1275 -0.1249 0.5363 0.5369 2.2752 2.2795 4.6944 4.6947 5.1595 5.1604 7.2108 7.2122 7.7466 7.7493 19.2826 19.2890 20.0085 20.0111 21.9889 21.9900 22.3184 22.3262 k = 0.3920 0.3920 0.3487 ( 778 PWs) bands (ev): -5.5577 -5.5574 -0.1775 -0.1749 0.5772 0.5778 2.2458 2.2501 4.7134 4.7137 5.1822 5.1831 7.3219 7.3234 7.8806 7.8832 19.2442 19.2508 19.9284 19.9310 21.9707 21.9718 22.3234 22.3313 k = 0.3864 0.3864 0.3487 ( 778 PWs) bands (ev): -5.6298 -5.6295 -0.2324 -0.2298 0.6201 0.6207 2.2222 2.2265 4.7357 4.7361 5.2077 5.2086 7.4348 7.4362 8.0129 8.0156 19.2079 19.2145 19.8490 19.8515 21.9506 21.9516 22.3242 22.3323 k = 0.3807 0.3807 0.3487 ( 778 PWs) bands (ev): -5.7037 -5.7034 -0.2921 -0.2895 0.6651 0.6657 2.2046 2.2088 4.7612 4.7617 5.2360 5.2369 7.5489 7.5505 8.1433 8.1460 19.1739 19.1805 19.7707 19.7732 21.9287 21.9296 22.3208 22.3289 k = 0.3750 0.3750 0.3487 ( 778 PWs) bands (ev): -5.7792 -5.7790 -0.3563 -0.3538 0.7121 0.7127 2.1931 2.1973 4.7897 4.7902 5.2671 5.2680 7.6642 7.6657 8.2716 8.2743 19.1425 19.1491 19.6938 19.6963 21.9047 21.9056 22.3127 22.3209 k = 0.3693 0.3693 0.3487 ( 778 PWs) bands (ev): -5.8563 -5.8560 -0.4249 -0.4224 0.7611 0.7618 2.1877 2.1917 4.8210 4.8215 5.3010 5.3019 7.7802 7.7817 8.3974 8.4002 19.1139 19.1206 19.6188 19.6211 21.8788 21.8797 22.2997 22.3080 k = 0.3636 0.3636 0.3487 ( 778 PWs) bands (ev): -5.9346 -5.9343 -0.4974 -0.4950 0.8121 0.8128 2.1882 2.1921 4.8549 4.8555 5.3375 5.3385 7.8965 7.8981 8.5206 8.5234 19.0884 19.0951 19.5458 19.5482 21.8510 21.8518 22.2817 22.2900 k = 0.3580 0.3580 0.3487 ( 778 PWs) bands (ev): -6.0140 -6.0138 -0.5736 -0.5713 0.8652 0.8658 2.1944 2.1981 4.8912 4.8919 5.3767 5.3777 8.0129 8.0145 8.6409 8.6437 19.0662 19.0729 19.4754 19.4776 21.8212 21.8219 22.2583 22.2666 k = 0.3523 0.3523 0.3487 ( 780 PWs) bands (ev): -6.0944 -6.0942 -0.6530 -0.6507 0.9201 0.9208 2.2060 2.2097 4.9299 4.9306 5.4185 5.4194 8.1291 8.1307 8.7580 8.7608 19.0474 19.0541 19.4076 19.4098 21.7892 21.7899 22.2294 22.2378 k = 0.3466 0.3466 0.3487 ( 784 PWs) bands (ev): -6.1756 -6.1753 -0.7351 -0.7330 0.9770 0.9777 2.2230 2.2264 4.9708 4.9716 5.4628 5.4637 8.2447 8.2462 8.8718 8.8746 19.0323 19.0390 19.3429 19.3450 21.7550 21.7557 22.1949 22.2032 k = 0.3409 0.3409 0.3487 ( 784 PWs) bands (ev): -6.2574 -6.2572 -0.8197 -0.8176 1.0359 1.0365 2.2448 2.2482 5.0139 5.0147 5.5095 5.5105 8.3593 8.3609 8.9820 8.9848 19.0210 19.0277 19.2816 19.2836 21.7187 21.7194 22.1548 22.1631 k = 0.3352 0.3352 0.3487 ( 780 PWs) bands (ev): -6.3398 -6.3395 -0.9062 -0.9043 1.0968 1.0974 2.2713 2.2745 5.0589 5.0598 5.5587 5.5597 8.4728 8.4744 9.0884 9.0913 19.0137 19.0203 19.2238 19.2258 21.6801 21.6808 22.1088 22.1171 k = 0.3295 0.3295 0.3487 ( 780 PWs) bands (ev): -6.4225 -6.4223 -0.9945 -0.9926 1.1595 1.1601 2.3022 2.3053 5.1059 5.1069 5.6103 5.6113 8.5847 8.5863 9.1909 9.1938 19.0104 19.0169 19.1699 19.1718 21.6389 21.6396 22.0571 22.0653 k = 0.3239 0.3239 0.3487 ( 782 PWs) bands (ev): -6.5055 -6.5052 -1.0840 -1.0822 1.2240 1.2246 2.3373 2.3402 5.1546 5.1557 5.6641 5.6651 8.6946 8.6962 9.2893 9.2922 19.0110 19.0175 19.1201 19.1219 21.5951 21.5957 21.9996 22.0077 k = 0.3182 0.3182 0.3487 ( 782 PWs) bands (ev): -6.5885 -6.5883 -1.1745 -1.1728 1.2905 1.2911 2.3762 2.3789 5.2052 5.2063 5.7202 5.7212 8.8024 8.8039 9.3835 9.3864 19.0158 19.0222 19.0747 19.0764 21.5484 21.5490 21.9363 21.9443 k = 0.3125 0.3125 0.3487 ( 782 PWs) bands (ev): -6.6716 -6.6713 -1.2657 -1.2641 1.3588 1.3594 2.4187 2.4213 5.2574 5.2586 5.7784 5.7795 8.9076 8.9091 9.4734 9.4763 19.0247 19.0311 19.0339 19.0354 21.4988 21.4994 21.8673 21.8752 k = 0.3068 0.3068 0.3487 ( 782 PWs) bands (ev): -6.7545 -6.7543 -1.3574 -1.3559 1.4289 1.4295 2.4646 2.4671 5.3112 5.3125 5.8388 5.8399 9.0099 9.0115 9.5589 9.5617 18.9977 18.9992 19.0379 19.0441 21.4461 21.4467 21.7928 21.8006 k = 0.3011 0.3011 0.3487 ( 778 PWs) bands (ev): -6.8372 -6.8370 -1.4492 -1.4477 1.5009 1.5015 2.5138 2.5161 5.3665 5.3679 5.9013 5.9023 9.1091 9.1107 9.6399 9.6427 18.9665 18.9679 19.0551 19.0612 21.3903 21.3909 21.7130 21.7206 k = 0.2955 0.2955 0.3487 ( 778 PWs) bands (ev): -6.9196 -6.9194 -1.5410 -1.5396 1.5746 1.5752 2.5660 2.5682 5.4233 5.4247 5.9657 5.9668 9.2049 9.2064 9.7163 9.7191 18.9404 18.9417 19.0763 19.0822 21.3310 21.3316 21.6279 21.6353 k = 0.2898 0.2898 0.3487 ( 778 PWs) bands (ev): -7.0016 -7.0014 -1.6326 -1.6313 1.6501 1.6507 2.6211 2.6231 5.4813 5.4829 6.0320 6.0331 9.2969 9.2985 9.7882 9.7910 18.9196 18.9208 19.1012 19.1070 21.2683 21.2689 21.5379 21.5451 k = 0.2841 0.2841 0.3487 ( 778 PWs) bands (ev): -7.0830 -7.0828 -1.7238 -1.7226 1.7274 1.7279 2.6789 2.6807 5.5407 5.5424 6.1002 6.1013 9.3850 9.3865 9.8556 9.8584 18.9041 18.9051 19.1298 19.1354 21.2019 21.2025 21.4432 21.4502 k = 0.2784 0.2784 0.3487 ( 782 PWs) bands (ev): -7.1639 -7.1637 -1.8145 -1.8133 1.8063 1.8068 2.7392 2.7409 5.6012 5.6030 6.1702 6.1713 9.4688 9.4703 9.9185 9.9213 18.8940 18.8949 19.1618 19.1672 21.1319 21.1325 21.3440 21.3508 k = 0.2727 0.2727 0.3487 ( 782 PWs) bands (ev): -7.2440 -7.2438 -1.9044 -1.9033 1.8870 1.8874 2.8019 2.8035 5.6629 5.6647 6.2418 6.2430 9.5483 9.5498 9.9770 9.9797 18.8893 18.8900 19.1970 19.2021 21.0582 21.0588 21.2410 21.2474 k = 0.2670 0.2670 0.3487 ( 782 PWs) bands (ev): -7.3234 -7.3232 -1.9935 -1.9924 1.9693 1.9697 2.8669 2.8684 5.7255 5.7275 6.3151 6.3163 9.6231 9.6246 10.0311 10.0338 18.8900 18.8906 19.2350 19.2399 20.9809 20.9815 21.1343 21.1404 k = 0.2614 0.2614 0.3487 ( 774 PWs) bands (ev): -7.4019 -7.4017 -2.0816 -2.0806 2.0533 2.0537 2.9342 2.9356 5.7892 5.7913 6.3900 6.3912 9.6933 9.6948 10.0810 10.0837 18.8961 18.8966 19.2755 19.2800 20.9001 20.9006 21.0247 21.0304 k = 0.2557 0.2557 0.3487 ( 778 PWs) bands (ev): -7.4796 -7.4794 -2.1687 -2.1678 2.1388 2.1392 3.0035 3.0047 5.8536 5.8558 6.4663 6.4675 9.7584 9.7599 10.1268 10.1295 18.9074 18.9077 19.3176 19.3218 20.8155 20.8160 20.9124 20.9177 k = 0.2500 0.2500 0.3487 ( 778 PWs) bands (ev): -7.5562 -7.5560 -2.2546 -2.2537 2.2259 2.2263 3.0747 3.0758 5.9188 5.9211 6.5439 6.5452 9.8187 9.8201 10.1686 10.1713 18.9238 18.9238 19.3610 19.3646 20.7277 20.7281 20.7986 20.8033 k = 0.2443 0.2443 0.3487 ( 782 PWs) bands (ev): -7.6318 -7.6317 -2.3394 -2.3385 2.3145 2.3149 3.1478 3.1488 5.9846 5.9870 6.6228 6.6241 9.8738 9.8752 10.2066 10.2093 18.9446 18.9448 19.4043 19.4073 20.6367 20.6371 20.6842 20.6881 k = 0.2386 0.2386 0.3487 ( 782 PWs) bands (ev): -7.7063 -7.7062 -2.4228 -2.4220 2.4047 2.4050 3.2226 3.2235 6.0509 6.0535 6.7028 6.7041 9.9240 9.9254 10.2410 10.2436 18.9697 18.9702 19.4463 19.4486 20.5430 20.5435 20.5709 20.5739 k = 0.2330 0.2330 0.3487 ( 782 PWs) bands (ev): -7.7797 -7.7795 -2.5048 -2.5040 2.4963 2.4966 3.2990 3.2998 6.1177 6.1204 6.7839 6.7852 9.9691 9.9705 10.2720 10.2746 18.9985 18.9992 19.4846 19.4859 20.4469 20.4476 20.4611 20.4628 k = 0.2273 0.2273 0.3487 ( 782 PWs) bands (ev): -7.8518 -7.8517 -2.5853 -2.5846 2.5893 2.5896 3.3771 3.3777 6.1848 6.1876 6.8658 6.8672 10.0092 10.0106 10.2997 10.3023 19.0301 19.0312 19.5156 19.5157 20.3496 20.3501 20.3583 20.3585 k = 0.2216 0.2216 0.3487 ( 778 PWs) bands (ev): -7.9227 -7.9226 -2.6643 -2.6636 2.6838 2.6841 3.4566 3.4571 6.2521 6.2550 6.9485 6.9499 10.0445 10.0459 10.3246 10.3271 19.0634 19.0650 19.5319 19.5338 20.2529 20.2536 20.2663 20.2671 k = 0.2159 0.2159 0.3487 ( 778 PWs) bands (ev): -7.9923 -7.9921 -2.7418 -2.7411 2.7795 2.7798 3.5374 3.5378 6.3195 6.3225 7.0317 7.0332 10.0751 10.0764 10.3466 10.3491 19.0966 19.0987 19.5266 19.5306 20.1571 20.1584 20.1945 20.1973 k = 0.2102 0.2102 0.3487 ( 778 PWs) bands (ev): -8.0605 -8.0604 -2.8176 -2.8170 2.8765 2.8768 3.6195 3.6198 6.3867 6.3899 7.1154 7.1169 10.1010 10.1023 10.3660 10.3686 19.1270 19.1297 19.4921 19.4981 20.0651 20.0670 20.1516 20.1564 k = 0.2045 0.2045 0.3487 ( 778 PWs) bands (ev): -8.1273 -8.1272 -2.8918 -2.8912 2.9748 2.9750 3.7028 3.7030 6.4538 6.4571 7.1993 7.2008 10.1226 10.1239 10.3832 10.3857 19.1506 19.1540 19.4266 19.4339 19.9811 19.9836 20.1398 20.1459 k = 0.1989 0.1989 0.3487 ( 778 PWs) bands (ev): -8.1927 -8.1925 -2.9643 -2.9637 3.0743 3.0745 3.7873 3.7873 6.5205 6.5240 7.2832 7.2848 10.1401 10.1413 10.3983 10.4008 19.1614 19.1656 19.3356 19.3435 19.9108 19.9139 20.1536 20.1603 k = 0.1932 0.1932 0.3487 ( 780 PWs) bands (ev): -8.2566 -8.2564 -3.0350 -3.0345 3.1749 3.1750 3.8726 3.8726 6.5866 6.5902 7.3668 7.3685 10.1538 10.1550 10.4115 10.4141 19.1523 19.1572 19.2269 19.2349 19.8616 19.8653 20.1848 20.1917 k = 0.1875 0.1875 0.3487 ( 780 PWs) bands (ev): -8.3189 -8.3188 -3.1040 -3.1035 3.2765 3.2767 3.9587 3.9588 6.6520 6.6558 7.4499 7.4517 10.1639 10.1652 10.4232 10.4258 19.1069 19.1148 19.1177 19.1230 19.8393 19.8433 20.2271 20.2338 k = 0.1818 0.1818 0.3487 ( 784 PWs) bands (ev): -8.3798 -8.3797 -3.1712 -3.1707 3.3792 3.3793 4.0455 4.0457 6.7166 6.7205 7.5322 7.5340 10.1710 10.1722 10.4335 10.4362 18.9800 18.9875 19.0569 19.0622 19.8442 19.8481 20.2759 20.2824 k = 0.1761 0.1761 0.3487 ( 780 PWs) bands (ev): -8.4390 -8.4389 -3.2365 -3.2360 3.4828 3.4829 4.1330 4.1334 6.7801 6.7842 7.6134 7.6153 10.1753 10.1766 10.4428 10.4454 18.8486 18.8559 18.9745 18.9796 19.8719 19.8755 20.3287 20.3350 k = 0.1705 0.1705 0.3487 ( 780 PWs) bands (ev): -8.4966 -8.4965 -3.2999 -3.2995 3.5873 3.5874 4.2212 4.2217 6.8424 6.8467 7.6930 7.6949 10.1773 10.1786 10.4511 10.4538 18.7144 18.7214 18.8764 18.8812 19.9159 19.9191 20.3838 20.3898 k = 0.1648 0.1648 0.3487 ( 780 PWs) bands (ev): -8.5526 -8.5525 -3.3615 -3.3610 3.6926 3.6926 4.3097 4.3104 6.9033 6.9077 7.7706 7.7726 10.1776 10.1789 10.4588 10.4615 18.5786 18.5853 18.7678 18.7722 19.9710 19.9738 20.4401 20.4458 k = 0.1591 0.1591 0.3487 ( 780 PWs) bands (ev): -8.6069 -8.6068 -3.4211 -3.4207 3.7985 3.7985 4.3986 4.3994 6.9625 6.9670 7.8457 7.8478 10.1765 10.1779 10.4662 10.4689 18.4420 18.4485 18.6521 18.6563 20.0335 20.0360 20.4968 20.5023 k = 0.1534 0.1534 0.3487 ( 780 PWs) bands (ev): -8.6595 -8.6594 -3.4788 -3.4784 3.9051 3.9051 4.4877 4.4886 7.0198 7.0245 7.9179 7.9200 10.1749 10.1762 10.4733 10.4760 18.3053 18.3115 18.5319 18.5358 20.1010 20.1031 20.5533 20.5586 k = 0.1477 0.1477 0.3487 ( 780 PWs) bands (ev): -8.7104 -8.7103 -3.5345 -3.5342 4.0122 4.0123 4.5769 4.5779 7.0751 7.0800 7.9864 7.9886 10.1732 10.1746 10.4804 10.4832 18.1690 18.1750 18.4086 18.4123 20.1716 20.1734 20.6093 20.6143 k = 0.1420 0.1420 0.3487 ( 780 PWs) bands (ev): -8.7596 -8.7595 -3.5883 -3.5880 4.1198 4.1198 4.6661 4.6671 7.1282 7.1332 8.0507 8.0529 10.1722 10.1736 10.4877 10.4905 18.0336 18.0393 18.2836 18.2871 20.2442 20.2458 20.6644 20.6692 k = 0.1364 0.1364 0.3487 ( 780 PWs) bands (ev): -8.8069 -8.8069 -3.6401 -3.6398 4.2276 4.2277 4.7550 4.7562 7.1788 7.1840 8.1100 8.1123 10.1726 10.1739 10.4954 10.4982 17.8994 17.9049 18.1577 18.1610 20.3178 20.3192 20.7183 20.7229 k = 0.1307 0.1307 0.3487 ( 778 PWs) bands (ev): -8.8525 -8.8524 -3.6898 -3.6895 4.3357 4.3359 4.8436 4.8449 7.2268 7.2321 8.1637 8.1660 10.1750 10.1764 10.5037 10.5065 17.7668 17.7721 18.0316 18.0347 20.3917 20.3929 20.7709 20.7753 k = 0.1250 0.1250 0.3487 ( 774 PWs) bands (ev): -8.8963 -8.8962 -3.7375 -3.7373 4.4439 4.4441 4.9317 4.9331 7.2720 7.2773 8.2111 8.2135 10.1802 10.1816 10.5126 10.5155 17.6362 17.6412 17.9058 17.9089 20.4653 20.4663 20.8220 20.8262 k = 0.1193 0.1193 0.3487 ( 774 PWs) bands (ev): -8.9382 -8.9382 -3.7832 -3.7830 4.5520 4.5522 5.0191 5.0206 7.3141 7.3196 8.2515 8.2539 10.1888 10.1902 10.5224 10.5252 17.5079 17.5126 17.7810 17.7839 20.5379 20.5388 20.8713 20.8753 k = 0.1136 0.1136 0.3487 ( 774 PWs) bands (ev): -8.9784 -8.9783 -3.8269 -3.8266 4.6600 4.6602 5.1056 5.1072 7.3530 7.3586 8.2843 8.2867 10.2014 10.2028 10.5330 10.5359 17.3822 17.3867 17.6576 17.6604 20.6092 20.6100 20.9188 20.9226 k = 0.1080 0.1080 0.3487 ( 774 PWs) bands (ev): -9.0166 -9.0165 -3.8685 -3.8682 4.7675 4.7677 5.1911 5.1928 7.3887 7.3943 8.3091 8.3115 10.2183 10.2196 10.5447 10.5475 17.2594 17.2637 17.5361 17.5387 20.6789 20.6795 20.9644 20.9679 k = 0.1023 0.1023 0.3487 ( 774 PWs) bands (ev): -9.0530 -9.0529 -3.9080 -3.9078 4.8745 4.8748 5.2754 5.2772 7.4210 7.4267 8.3258 8.3282 10.2397 10.2410 10.5573 10.5601 17.1398 17.1440 17.4167 17.4192 20.7465 20.7470 21.0080 21.0113 k = 0.0966 0.0966 0.3487 ( 774 PWs) bands (ev): -9.0874 -9.0874 -3.9454 -3.9452 4.9807 4.9810 5.3582 5.3601 7.4497 7.4555 8.3341 8.3365 10.2656 10.2669 10.5709 10.5737 17.0240 17.0279 17.3002 17.3025 20.8118 20.8122 21.0494 21.0526 k = 0.0909 0.0909 0.3487 ( 774 PWs) bands (ev): -9.1200 -9.1200 -3.9807 -3.9805 5.0860 5.0863 5.4393 5.4412 7.4750 7.4807 8.3344 8.3367 10.2959 10.2971 10.5854 10.5881 16.9121 16.9157 17.1867 17.1889 20.8745 20.8748 21.0887 21.0916 k = 0.0852 0.0852 0.3487 ( 774 PWs) bands (ev): -9.1507 -9.1506 -4.0140 -4.0138 5.1900 5.1903 5.5184 5.5204 7.4968 7.5025 8.3269 8.3292 10.3300 10.3311 10.6008 10.6034 16.8044 16.8079 17.0767 17.0789 20.9344 20.9347 21.1257 21.1285 k = 0.0795 0.0795 0.3487 ( 774 PWs) bands (ev): -9.1794 -9.1794 -4.0451 -4.0449 5.2924 5.2928 5.5953 5.5974 7.5151 7.5207 8.3123 8.3145 10.3673 10.3684 10.6169 10.6195 16.7014 16.7047 16.9708 16.9728 20.9913 20.9915 21.1606 21.1631 k = 0.0739 0.0739 0.3487 ( 774 PWs) bands (ev): -9.2062 -9.2062 -4.0741 -4.0739 5.3930 5.3934 5.6696 5.6718 7.5301 7.5356 8.2912 8.2933 10.4072 10.4082 10.6335 10.6360 16.6034 16.6064 16.8692 16.8711 21.0449 21.0451 21.1931 21.1955 k = 0.0682 0.0682 0.3487 ( 770 PWs) bands (ev): -9.2311 -9.2310 -4.1010 -4.1008 5.4914 5.4918 5.7413 5.7434 7.5418 7.5472 8.2645 8.2664 10.4488 10.4497 10.6505 10.6529 16.5108 16.5135 16.7725 16.7742 21.0953 21.0954 21.2234 21.2255 k = 0.0625 0.0625 0.3487 ( 770 PWs) bands (ev): -9.2540 -9.2539 -4.1257 -4.1256 5.5870 5.5874 5.8096 5.8118 7.5506 7.5557 8.2330 8.2348 10.4912 10.4920 10.6677 10.6699 16.4238 16.4263 16.6811 16.6827 21.1422 21.1422 21.2512 21.2532 k = 0.0568 0.0568 0.3487 ( 770 PWs) bands (ev): -9.2749 -9.2749 -4.1483 -4.1482 5.6792 5.6797 5.8744 5.8765 7.5566 7.5615 8.1977 8.1994 10.5336 10.5343 10.6847 10.6868 16.3429 16.3452 16.5955 16.5970 21.1854 21.1854 21.2767 21.2785 k = 0.0511 0.0511 0.3487 ( 766 PWs) bands (ev): -9.2938 -9.2938 -4.1688 -4.1687 5.7677 5.7681 5.9352 5.9373 7.5601 7.5648 8.1597 8.1613 10.5750 10.5756 10.7014 10.7033 16.2684 16.2704 16.5162 16.5175 21.2251 21.2251 21.2999 21.3016 k = 0.0455 0.0455 0.3487 ( 762 PWs) bands (ev): -9.3108 -9.3108 -4.1871 -4.1870 5.8515 5.8520 5.9917 5.9936 7.5615 7.5659 8.1201 8.1216 10.6147 10.6153 10.7173 10.7191 16.2006 16.2025 16.4436 16.4448 21.2609 21.2609 21.3207 21.3221 k = 0.0398 0.0398 0.3487 ( 766 PWs) bands (ev): -9.3258 -9.3258 -4.2033 -4.2032 5.9296 5.9301 6.0431 6.0449 7.5612 7.5652 8.0800 8.0814 10.6519 10.6523 10.7323 10.7338 16.1398 16.1414 16.3781 16.3791 21.2927 21.2927 21.3389 21.3402 k = 0.0341 0.0341 0.3487 ( 758 PWs) bands (ev): -9.3388 -9.3388 -4.2173 -4.2172 6.0014 6.0019 6.0892 6.0909 7.5597 7.5632 8.0410 8.0421 10.6857 10.6861 10.7460 10.7473 16.0865 16.0879 16.3203 16.3212 21.3207 21.3207 21.3549 21.3560 k = 0.0284 0.0284 0.3487 ( 758 PWs) bands (ev): -9.3498 -9.3498 -4.2291 -4.2291 6.0653 6.0657 6.1295 6.1309 7.5574 7.5605 8.0042 8.0052 10.7156 10.7159 10.7581 10.7593 16.0410 16.0421 16.2706 16.2713 21.3444 21.3444 21.3683 21.3692 k = 0.0227 0.0227 0.3487 ( 758 PWs) bands (ev): -9.3588 -9.3588 -4.2389 -4.2388 6.1202 6.1206 6.1633 6.1645 7.5548 7.5573 7.9712 7.9721 10.7408 10.7411 10.7685 10.7694 16.0033 16.0042 16.2293 16.2299 21.3639 21.3639 21.3794 21.3801 k = 0.0170 0.0170 0.3487 ( 758 PWs) bands (ev): -9.3659 -9.3658 -4.2464 -4.2464 6.1646 6.1650 6.1904 6.1913 7.5523 7.5542 7.9436 7.9442 10.7610 10.7612 10.7769 10.7775 15.9737 15.9744 16.1969 16.1973 21.3792 21.3792 21.3880 21.3885 k = 0.0114 0.0114 0.3487 ( 758 PWs) bands (ev): -9.3709 -9.3709 -4.2518 -4.2518 6.1971 6.1975 6.2106 6.2111 7.5502 7.5515 7.9226 7.9230 10.7756 10.7758 10.7832 10.7836 15.9525 15.9530 16.1735 16.1738 21.3901 21.3901 21.3943 21.3945 k = 0.0057 0.0057 0.3487 ( 762 PWs) bands (ev): -9.3739 -9.3739 -4.2551 -4.2551 6.2160 6.2163 6.2240 6.2242 7.5489 7.5495 7.9095 7.9097 10.7840 10.7842 10.7875 10.7876 15.9397 15.9399 16.1594 16.1596 21.3964 21.3965 21.3983 21.3983 k = 0.0000 0.0000 0.3487 ( 766 PWs) bands (ev): -9.3749 -9.3749 -4.2562 -4.2562 6.2218 6.2218 6.2292 6.2292 7.5485 7.5485 7.9051 7.9051 10.7864 10.7864 10.7894 10.7894 15.9354 15.9354 16.1547 16.1547 21.3982 21.3982 21.3999 21.3999 k = 0.0000 0.5000-0.0000 ( 774 PWs) bands (ev): -7.4154 -7.4154 -2.8131 -2.8131 2.4793 2.4793 4.7206 4.7206 5.5554 5.5554 6.2662 6.2662 7.0916 7.0916 11.9983 11.9983 17.8329 17.8329 20.2272 20.2272 20.6969 20.6969 21.6085 21.6085 k = 0.0000 0.5000 0.0079 ( 774 PWs) bands (ev): -7.4149 -7.4149 -2.8123 -2.8123 2.4699 2.4699 4.7312 4.7312 5.5263 5.5263 6.2957 6.2957 7.0917 7.0917 11.9986 11.9986 17.8327 17.8327 20.2259 20.2259 20.6967 20.6967 21.6040 21.6040 k = 0.0000 0.5000 0.0158 ( 782 PWs) bands (ev): -7.4134 -7.4134 -2.8099 -2.8099 2.4422 2.4422 4.7625 4.7625 5.4502 5.4502 6.3730 6.3730 7.0921 7.0921 11.9994 11.9994 17.8320 17.8320 20.2221 20.2221 20.6962 20.6962 21.5906 21.5906 k = 0.0000 0.5000 0.0238 ( 778 PWs) bands (ev): -7.4110 -7.4110 -2.8059 -2.8059 2.3978 2.3978 4.8128 4.8128 5.3464 5.3464 6.4792 6.4792 7.0929 7.0929 12.0007 12.0007 17.8310 17.8310 20.2158 20.2158 20.6958 20.6958 21.5686 21.5686 k = 0.0000 0.5000 0.0317 ( 778 PWs) bands (ev): -7.4075 -7.4075 -2.8002 -2.8002 2.3387 2.3387 4.8802 4.8802 5.2278 5.2278 6.6009 6.6009 7.0939 7.0939 12.0026 12.0026 17.8294 17.8294 20.2071 20.2071 20.6950 20.6950 21.5382 21.5382 k = 0.0000 0.5000 0.0396 ( 778 PWs) bands (ev): -7.4031 -7.4031 -2.7930 -2.7930 2.2674 2.2674 4.9622 4.9622 5.1014 5.1014 6.7314 6.7314 7.0952 7.0952 12.0050 12.0050 17.8272 17.8272 20.1959 20.1959 20.6940 20.6940 21.5001 21.5001 k = 0.0000 0.5000 0.0475 ( 778 PWs) bands (ev): -7.3977 -7.3977 -2.7842 -2.7842 2.1861 2.1861 4.9708 4.9708 5.0564 5.0564 6.8668 6.8668 7.0969 7.0969 12.0079 12.0079 17.8245 17.8245 20.1825 20.1825 20.6927 20.6927 21.4547 21.4547 k = 0.0000 0.5000 0.0555 ( 776 PWs) bands (ev): -7.3914 -7.3914 -2.7738 -2.7738 2.0972 2.0972 4.8381 4.8381 5.1607 5.1607 7.0052 7.0052 7.0988 7.0988 12.0113 12.0113 17.8213 17.8213 20.1668 20.1668 20.6912 20.6912 21.4027 21.4027 k = 0.0000 0.5000 0.0634 ( 776 PWs) bands (ev): -7.3842 -7.3842 -2.7619 -2.7619 2.0022 2.0022 4.7044 4.7044 5.2732 5.2732 7.1008 7.1008 7.1455 7.1455 12.0152 12.0152 17.8172 17.8172 20.1489 20.1489 20.6894 20.6894 21.3448 21.3448 k = 0.0000 0.5000 0.0713 ( 776 PWs) bands (ev): -7.3761 -7.3761 -2.7484 -2.7484 1.9028 1.9028 4.5705 4.5705 5.3924 5.3924 7.1033 7.1033 7.2865 7.2865 12.0196 12.0196 17.8123 17.8123 20.1291 20.1291 20.6873 20.6873 21.2818 21.2818 k = 0.0000 0.5000 0.0792 ( 776 PWs) bands (ev): -7.3672 -7.3672 -2.7335 -2.7335 1.8002 1.8002 4.4369 4.4369 5.5169 5.5169 7.1059 7.1059 7.4279 7.4279 12.0244 12.0244 17.8065 17.8065 20.1074 20.1074 20.6849 20.6849 21.2143 21.2143 k = 0.0000 0.5000 0.0872 ( 780 PWs) bands (ev): -7.3574 -7.3574 -2.7171 -2.7171 1.6954 1.6954 4.3039 4.3039 5.6457 5.6457 7.1087 7.1087 7.5692 7.5692 12.0296 12.0296 17.7996 17.7996 20.0837 20.0837 20.6822 20.6822 21.1432 21.1432 k = 0.0000 0.5000 0.0951 ( 776 PWs) bands (ev): -7.3468 -7.3468 -2.6992 -2.6992 1.5894 1.5894 4.1719 4.1719 5.7779 5.7779 7.1118 7.1118 7.7102 7.7102 12.0352 12.0352 17.7916 17.7916 20.0587 20.0587 20.6793 20.6793 21.0692 21.0692 k = 0.0000 0.5000 0.1030 ( 776 PWs) bands (ev): -7.3355 -7.3355 -2.6799 -2.6799 1.4828 1.4828 4.0412 4.0412 5.9126 5.9126 7.1151 7.1151 7.8505 7.8505 12.0412 12.0412 17.7823 17.7823 20.0322 20.0322 20.6759 20.6759 20.9929 20.9929 k = 0.0000 0.5000 0.1109 ( 776 PWs) bands (ev): -7.3235 -7.3235 -2.6593 -2.6593 1.3761 1.3761 3.9118 3.9118 6.0493 6.0493 7.1186 7.1186 7.9897 7.9897 12.0475 12.0475 17.7716 17.7716 20.0044 20.0044 20.6721 20.6721 20.9150 20.9150 k = 0.0000 0.5000 0.1189 ( 776 PWs) bands (ev): -7.3108 -7.3108 -2.6374 -2.6374 1.2699 1.2699 3.7840 3.7840 6.1874 6.1874 7.1223 7.1223 8.1277 8.1277 12.0542 12.0542 17.7593 17.7593 19.9754 19.9754 20.6680 20.6680 20.8363 20.8363 k = 0.0000 0.5000 0.1268 ( 776 PWs) bands (ev): -7.2975 -7.2975 -2.6142 -2.6142 1.1646 1.1646 3.6579 3.6579 6.3263 6.3263 7.1261 7.1261 8.2643 8.2643 12.0611 12.0611 17.7453 17.7453 19.9456 19.9456 20.6634 20.6634 20.7573 20.7573 k = 0.0000 0.5000 0.1347 ( 776 PWs) bands (ev): -7.2836 -7.2836 -2.5898 -2.5898 1.0606 1.0606 3.5337 3.5337 6.4657 6.4657 7.1300 7.1300 8.3991 8.3991 12.0683 12.0683 17.7294 17.7294 19.9149 19.9149 20.6583 20.6583 20.6788 20.6788 k = 0.0000 0.5000 0.1426 ( 780 PWs) bands (ev): -7.2693 -7.2693 -2.5643 -2.5643 0.9581 0.9581 3.4115 3.4115 6.6050 6.6050 7.1339 7.1339 8.5320 8.5320 12.0757 12.0757 17.7114 17.7114 19.8835 19.8835 20.6006 20.6006 20.6534 20.6534 k = 0.0000 0.5000 0.1506 ( 782 PWs) bands (ev): -7.2545 -7.2545 -2.5377 -2.5377 0.8574 0.8574 3.2914 3.2914 6.7439 6.7439 7.1380 7.1380 8.6628 8.6628 12.0833 12.0833 17.6912 17.6912 19.8516 19.8516 20.5242 20.5242 20.6476 20.6476 k = 0.0000 0.5000 0.1585 ( 786 PWs) bands (ev): -7.2393 -7.2393 -2.5102 -2.5102 0.7587 0.7587 3.1736 3.1736 6.8820 6.8820 7.1423 7.1423 8.7911 8.7911 12.0911 12.0911 17.6688 17.6688 19.8197 19.8197 20.4496 20.4496 20.6415 20.6415 k = 0.0000 0.5000 0.1664 ( 784 PWs) bands (ev): -7.2238 -7.2238 -2.4817 -2.4817 0.6625 0.6625 3.0583 3.0583 7.0190 7.0190 7.1466 7.1466 8.9169 8.9169 12.0989 12.0989 17.6442 17.6442 19.7876 19.7876 20.3775 20.3775 20.6350 20.6350 k = 0.0000 0.5000 0.1743 ( 784 PWs) bands (ev): -7.2081 -7.2081 -2.4524 -2.4524 0.5688 0.5688 2.9456 2.9456 7.1481 7.1481 7.1573 7.1573 9.0397 9.0397 12.1069 12.1069 17.6172 17.6172 19.7555 19.7555 20.3081 20.3081 20.6281 20.6281 k = 0.0000 0.5000 0.1823 ( 784 PWs) bands (ev): -7.1922 -7.1922 -2.4225 -2.4225 0.4778 0.4778 2.8356 2.8356 7.1549 7.1549 7.2883 7.2883 9.1595 9.1595 12.1148 12.1148 17.5877 17.5877 19.7237 19.7237 20.2417 20.2417 20.6209 20.6209 k = 0.0000 0.5000 0.1902 ( 784 PWs) bands (ev): -7.1763 -7.1763 -2.3919 -2.3919 0.3897 0.3897 2.7285 2.7285 7.1593 7.1593 7.4196 7.4196 9.2760 9.2760 12.1228 12.1228 17.5559 17.5559 19.6923 19.6923 20.1788 20.1788 20.6134 20.6134 k = 0.0000 0.5000 0.1981 ( 784 PWs) bands (ev): -7.1604 -7.1604 -2.3609 -2.3609 0.3047 0.3047 2.6246 2.6246 7.1636 7.1636 7.5484 7.5484 9.3889 9.3889 12.1307 12.1307 17.5219 17.5219 19.6613 19.6613 20.1195 20.1195 20.6055 20.6055 k = 0.0000 0.5000 0.2060 ( 784 PWs) bands (ev): -7.1445 -7.1445 -2.3296 -2.3296 0.2229 0.2229 2.5238 2.5238 7.1678 7.1678 7.6741 7.6741 9.4979 9.4979 12.1385 12.1385 17.4857 17.4857 19.6311 19.6311 20.0639 20.0639 20.5974 20.5974 k = 0.0000 0.5000 0.2140 ( 776 PWs) bands (ev): -7.1288 -7.1288 -2.2981 -2.2981 0.1446 0.1446 2.4265 2.4265 7.1720 7.1720 7.7966 7.7966 9.6030 9.6030 12.1461 12.1461 17.4477 17.4477 19.6017 19.6017 20.0124 20.0124 20.5893 20.5893 k = 0.0000 0.5000 0.2219 ( 776 PWs) bands (ev): -7.1134 -7.1134 -2.2667 -2.2667 0.0698 0.0698 2.3328 2.3328 7.1760 7.1760 7.9152 7.9152 9.7037 9.7037 12.1536 12.1536 17.4081 17.4081 19.5732 19.5732 19.9648 19.9648 20.5808 20.5808 k = 0.0000 0.5000 0.2298 ( 776 PWs) bands (ev): -7.0983 -7.0983 -2.2354 -2.2354 -0.0013 -0.0013 2.2430 2.2430 7.1799 7.1799 8.0297 8.0297 9.7998 9.7998 12.1609 12.1609 17.3673 17.3673 19.5458 19.5458 19.9211 19.9211 20.5723 20.5723 k = 0.0000 0.5000 0.2377 ( 776 PWs) bands (ev): -7.0836 -7.0836 -2.2045 -2.2045 -0.0686 -0.0686 2.1571 2.1571 7.1836 7.1836 8.1395 8.1395 9.8912 9.8912 12.1679 12.1679 17.3256 17.3256 19.5195 19.5195 19.8813 19.8813 20.5638 20.5638 k = 0.0000 0.5000 0.2457 ( 776 PWs) bands (ev): -7.0695 -7.0695 -2.1742 -2.1742 -0.1319 -0.1319 2.0756 2.0756 7.1872 7.1872 8.2444 8.2444 9.9775 9.9775 12.1746 12.1746 17.2835 17.2835 19.4946 19.4946 19.8453 19.8453 20.5554 20.5554 k = 0.0000 0.5000 0.2536 ( 780 PWs) bands (ev): -7.0560 -7.0560 -2.1447 -2.1447 -0.1911 -0.1911 1.9986 1.9986 7.1906 7.1906 8.3438 8.3438 10.0584 10.0584 12.1810 12.1810 17.2415 17.2415 19.4711 19.4711 19.8129 19.8129 20.5470 20.5470 k = 0.0000 0.5000 0.2615 ( 780 PWs) bands (ev): -7.0432 -7.0432 -2.1162 -2.1162 -0.2460 -0.2460 1.9263 1.9263 7.1938 7.1938 8.4373 8.4373 10.1339 10.1339 12.1871 12.1871 17.2002 17.2002 19.4491 19.4491 19.7841 19.7841 20.5389 20.5389 k = 0.0000 0.5000 0.2694 ( 776 PWs) bands (ev): -7.0311 -7.0311 -2.0891 -2.0891 -0.2965 -0.2965 1.8592 1.8592 7.1968 7.1968 8.5245 8.5245 10.2038 10.2038 12.1927 12.1927 17.1600 17.1600 19.4288 19.4288 19.7588 19.7588 20.5313 20.5313 k = 0.0000 0.5000 0.2774 ( 788 PWs) bands (ev): -7.0200 -7.0200 -2.0634 -2.0634 -0.3427 -0.3427 1.7972 1.7972 7.1994 7.1994 8.6049 8.6049 10.2675 10.2675 12.1979 12.1979 17.1215 17.1215 19.4099 19.4099 19.7363 19.7363 20.5239 20.5239 k = 0.0000 0.5000 0.2853 ( 788 PWs) bands (ev): -7.0097 -7.0097 -2.0396 -2.0396 -0.3843 -0.3843 1.7409 1.7409 7.2019 7.2019 8.6783 8.6783 10.3252 10.3252 12.2026 12.2026 17.0853 17.0853 19.3930 19.3930 19.7169 19.7169 20.5170 20.5170 k = 0.0000 0.5000 0.2932 ( 788 PWs) bands (ev): -7.0005 -7.0005 -2.0178 -2.0178 -0.4212 -0.4212 1.6904 1.6904 7.2041 7.2041 8.7442 8.7442 10.3766 10.3766 12.2068 12.2068 17.0520 17.0520 19.3779 19.3779 19.7003 19.7003 20.5108 20.5108 k = 0.0000 0.5000 0.3011 ( 784 PWs) bands (ev): -6.9924 -6.9924 -1.9983 -1.9983 -0.4534 -0.4534 1.6460 1.6460 7.2061 7.2061 8.8021 8.8021 10.4215 10.4215 12.2106 12.2106 17.0220 17.0220 19.3647 19.3647 19.6864 19.6864 20.5052 20.5052 k = 0.0000 0.5000 0.3091 ( 784 PWs) bands (ev): -6.9854 -6.9854 -1.9813 -1.9813 -0.4807 -0.4807 1.6080 1.6080 7.2078 7.2078 8.8518 8.8518 10.4598 10.4598 12.2138 12.2138 16.9958 16.9958 19.3535 19.3535 19.6748 19.6748 20.5004 20.5004 k = 0.0000 0.5000 0.3170 ( 784 PWs) bands (ev): -6.9797 -6.9797 -1.9671 -1.9671 -0.5032 -0.5032 1.5765 1.5765 7.2092 7.2092 8.8929 8.8929 10.4913 10.4913 12.2164 12.2164 16.9737 16.9737 19.3442 19.3442 19.6655 19.6655 20.4963 20.4963 k = 0.0000 0.5000 0.3249 ( 784 PWs) bands (ev): -6.9751 -6.9751 -1.9558 -1.9558 -0.5208 -0.5208 1.5518 1.5518 7.2103 7.2103 8.9252 8.9252 10.5159 10.5159 12.2185 12.2185 16.9562 16.9562 19.3369 19.3369 19.6584 19.6584 20.4931 20.4931 k = 0.0000 0.5000 0.3328 ( 784 PWs) bands (ev): -6.9718 -6.9718 -1.9477 -1.9477 -0.5333 -0.5333 1.5341 1.5341 7.2111 7.2111 8.9484 8.9484 10.5335 10.5335 12.2200 12.2200 16.9434 16.9434 19.3317 19.3317 19.6534 19.6534 20.4908 20.4908 k = 0.0000 0.5000 0.3408 ( 784 PWs) bands (ev): -6.9699 -6.9699 -1.9427 -1.9427 -0.5409 -0.5409 1.5234 1.5234 7.2116 7.2116 8.9623 8.9623 10.5441 10.5441 12.2209 12.2209 16.9357 16.9357 19.3286 19.3286 19.6505 19.6505 20.4893 20.4893 k = 0.0000 0.5000 0.3487 ( 784 PWs) bands (ev): -6.9692 -6.9692 -1.9410 -1.9410 -0.5434 -0.5434 1.5198 1.5198 7.2117 7.2117 8.9670 8.9670 10.5476 10.5476 12.2212 12.2212 16.9331 16.9331 19.3275 19.3275 19.6495 19.6495 20.4889 20.4889 k = 0.5000 0.5000-0.0000 ( 776 PWs) bands (ev): -5.0558 -5.0558 -0.3434 -0.3434 -0.3399 -0.3399 4.0353 4.0353 4.2385 4.2385 6.7716 6.7716 6.7735 6.7735 8.4767 8.4767 14.6669 14.6669 17.2040 17.2040 17.2059 17.2059 21.0451 21.0451 k = 0.5000 0.5000 0.0079 ( 776 PWs) bands (ev): -5.0555 -5.0555 -0.3428 -0.3428 -0.3393 -0.3393 4.0362 4.0362 4.2367 4.2367 6.7693 6.7693 6.7712 6.7712 8.4743 8.4743 14.6711 14.6711 17.2084 17.2084 17.2104 17.2104 21.0494 21.0494 k = 0.5000 0.5000 0.0158 ( 776 PWs) bands (ev): -5.0546 -5.0546 -0.3412 -0.3412 -0.3377 -0.3377 4.0391 4.0391 4.2311 4.2311 6.7624 6.7624 6.7643 6.7643 8.4672 8.4672 14.6839 14.6839 17.2217 17.2217 17.2236 17.2236 21.0625 21.0625 k = 0.5000 0.5000 0.0238 ( 776 PWs) bands (ev): -5.0530 -5.0530 -0.3384 -0.3384 -0.3349 -0.3349 4.0438 4.0438 4.2218 4.2218 6.7510 6.7510 6.7529 6.7529 8.4555 8.4555 14.7051 14.7051 17.2437 17.2437 17.2457 17.2457 21.0843 21.0843 k = 0.5000 0.5000 0.0317 ( 776 PWs) bands (ev): -5.0509 -5.0509 -0.3346 -0.3346 -0.3311 -0.3311 4.0505 4.0505 4.2089 4.2089 6.7352 6.7352 6.7371 6.7371 8.4391 8.4391 14.7346 14.7346 17.2745 17.2745 17.2765 17.2765 21.1146 21.1146 k = 0.5000 0.5000 0.0396 ( 776 PWs) bands (ev): -5.0481 -5.0481 -0.3296 -0.3296 -0.3261 -0.3261 4.0591 4.0591 4.1925 4.1925 6.7151 6.7151 6.7170 6.7170 8.4181 8.4181 14.7725 14.7725 17.3138 17.3138 17.3158 17.3158 21.1535 21.1535 k = 0.5000 0.5000 0.0475 ( 776 PWs) bands (ev): -5.0447 -5.0447 -0.3237 -0.3237 -0.3201 -0.3201 4.0695 4.0695 4.1728 4.1728 6.6907 6.6907 6.6926 6.6926 8.3928 8.3928 14.8185 14.8185 17.3615 17.3615 17.3636 17.3636 21.2008 21.2008 k = 0.5000 0.5000 0.0555 ( 784 PWs) bands (ev): -5.0407 -5.0407 -0.3166 -0.3166 -0.3131 -0.3131 4.0818 4.0818 4.1496 4.1496 6.6624 6.6624 6.6643 6.6643 8.3630 8.3630 14.8724 14.8724 17.4174 17.4174 17.4196 17.4196 21.2563 21.2563 k = 0.5000 0.5000 0.0634 ( 784 PWs) bands (ev): -5.0362 -5.0362 -0.3086 -0.3086 -0.3051 -0.3051 4.0960 4.0960 4.1236 4.1236 6.6302 6.6302 6.6322 6.6322 8.3291 8.3291 14.9342 14.9342 17.4815 17.4815 17.4836 17.4836 21.3200 21.3200 k = 0.5000 0.5000 0.0713 ( 784 PWs) bands (ev): -5.0311 -5.0311 -0.2995 -0.2995 -0.2960 -0.2960 4.0944 4.0944 4.1123 4.1123 6.5945 6.5945 6.5965 6.5965 8.2912 8.2912 15.0037 15.0037 17.5533 17.5533 17.5555 17.5555 21.3916 21.3916 k = 0.5000 0.5000 0.0792 ( 784 PWs) bands (ev): -5.0255 -5.0255 -0.2895 -0.2895 -0.2860 -0.2860 4.0628 4.0628 4.1302 4.1302 6.5554 6.5554 6.5574 6.5574 8.2494 8.2494 15.0805 15.0805 17.6326 17.6326 17.6349 17.6349 21.4710 21.4710 k = 0.5000 0.5000 0.0872 ( 792 PWs) bands (ev): -5.0195 -5.0195 -0.2786 -0.2786 -0.2750 -0.2750 4.0285 4.0285 4.1501 4.1501 6.5132 6.5132 6.5152 6.5152 8.2038 8.2038 15.1646 15.1646 17.7193 17.7193 17.7216 17.7216 21.5579 21.5579 k = 0.5000 0.5000 0.0951 ( 792 PWs) bands (ev): -5.0129 -5.0129 -0.2667 -0.2667 -0.2631 -0.2631 3.9922 3.9922 4.1718 4.1718 6.4683 6.4683 6.4703 6.4703 8.1548 8.1548 15.2556 15.2556 17.8129 17.8129 17.8154 17.8154 21.6522 21.6522 k = 0.5000 0.5000 0.1030 ( 792 PWs) bands (ev): -5.0059 -5.0059 -0.2540 -0.2540 -0.2504 -0.2504 3.9538 3.9538 4.1954 4.1954 6.4207 6.4207 6.4227 6.4227 8.1024 8.1024 15.3533 15.3533 17.9133 17.9133 17.9158 17.9158 21.7536 21.7536 k = 0.5000 0.5000 0.1109 ( 792 PWs) bands (ev): -4.9984 -4.9984 -0.2405 -0.2405 -0.2368 -0.2368 3.9136 3.9136 4.2208 4.2208 6.3709 6.3709 6.3730 6.3730 8.0469 8.0469 15.4575 15.4575 18.0201 18.0201 18.0227 18.0227 21.8619 21.8619 k = 0.5000 0.5000 0.1189 ( 792 PWs) bands (ev): -4.9906 -4.9906 -0.2262 -0.2262 -0.2225 -0.2225 3.8720 3.8720 4.2481 4.2481 6.3192 6.3192 6.3212 6.3212 7.9885 7.9885 15.5678 15.5678 18.1330 18.1330 18.1357 18.1357 21.9768 21.9768 k = 0.5000 0.5000 0.1268 ( 788 PWs) bands (ev): -4.9825 -4.9825 -0.2111 -0.2111 -0.2075 -0.2075 3.8292 3.8292 4.2772 4.2772 6.2657 6.2657 6.2678 6.2678 7.9273 7.9273 15.6841 15.6841 18.2517 18.2517 18.2545 18.2545 22.0980 22.0980 k = 0.5000 0.5000 0.1347 ( 784 PWs) bands (ev): -4.9740 -4.9740 -0.1955 -0.1955 -0.1918 -0.1918 3.7853 3.7853 4.3081 4.3081 6.2108 6.2108 6.2129 6.2129 7.8636 7.8636 15.8062 15.8062 18.3759 18.3759 18.3788 18.3788 22.2255 22.2255 k = 0.5000 0.5000 0.1426 ( 784 PWs) bands (ev): -4.9653 -4.9653 -0.1792 -0.1792 -0.1755 -0.1755 3.7405 3.7405 4.3409 4.3409 6.1549 6.1549 6.1570 6.1570 7.7976 7.7976 15.9335 15.9335 18.5051 18.5051 18.5081 18.5081 22.3587 22.3587 k = 0.5000 0.5000 0.1506 ( 784 PWs) bands (ev): -4.9563 -4.9563 -0.1624 -0.1624 -0.1587 -0.1587 3.6953 3.6953 4.3754 4.3754 6.0981 6.0981 6.1002 6.1002 7.7295 7.7295 16.0660 16.0660 18.6392 18.6392 18.6423 18.6423 22.4974 22.4974 k = 0.5000 0.5000 0.1585 ( 776 PWs) bands (ev): -4.9471 -4.9471 -0.1451 -0.1451 -0.1414 -0.1414 3.6497 3.6497 4.4117 4.4117 6.0408 6.0408 6.0429 6.0429 7.6594 7.6594 16.2033 16.2033 18.7778 18.7778 18.7810 18.7810 22.6414 22.6414 k = 0.5000 0.5000 0.1664 ( 784 PWs) bands (ev): -4.9378 -4.9378 -0.1275 -0.1275 -0.1237 -0.1237 3.6041 3.6041 4.4498 4.4498 5.9832 5.9832 5.9854 5.9854 7.5876 7.5876 16.3451 16.3451 18.9203 18.9203 18.9237 18.9237 22.7905 22.7905 k = 0.5000 0.5000 0.1743 ( 784 PWs) bands (ev): -4.9284 -4.9284 -0.1095 -0.1095 -0.1058 -0.1058 3.5586 3.5586 4.4896 4.4896 5.9257 5.9257 5.9279 5.9279 7.5143 7.5143 16.4913 16.4913 19.0668 19.0668 19.0702 19.0702 22.9441 22.9441 k = 0.5000 0.5000 0.1823 ( 776 PWs) bands (ev): -4.9190 -4.9190 -0.0914 -0.0914 -0.0876 -0.0876 3.5137 3.5137 4.5311 4.5311 5.8685 5.8685 5.8707 5.8707 7.4396 7.4396 16.6418 16.6418 19.2168 19.2168 19.2203 19.2203 23.1023 23.1023 k = 0.5000 0.5000 0.1902 ( 776 PWs) bands (ev): -4.9095 -4.9095 -0.0731 -0.0731 -0.0692 -0.0692 3.4692 3.4692 4.5743 4.5743 5.8118 5.8118 5.8140 5.8140 7.3637 7.3637 16.7958 16.7958 19.3697 19.3697 19.3734 19.3734 23.2644 23.2644 k = 0.5000 0.5000 0.1981 ( 776 PWs) bands (ev): -4.9001 -4.9001 -0.0547 -0.0547 -0.0509 -0.0509 3.4255 3.4255 4.6192 4.6192 5.7560 5.7560 5.7582 5.7582 7.2868 7.2868 16.9533 16.9533 19.5254 19.5254 19.5291 19.5291 23.4303 23.4303 k = 0.5000 0.5000 0.2060 ( 776 PWs) bands (ev): -4.8908 -4.8908 -0.0364 -0.0364 -0.0326 -0.0326 3.3829 3.3829 4.6658 4.6658 5.7012 5.7012 5.7035 5.7035 7.2091 7.2091 17.1140 17.1140 19.6833 19.6833 19.6873 19.6873 23.5222 23.5222 k = 0.5000 0.5000 0.2140 ( 776 PWs) bands (ev): -4.8817 -4.8817 -0.0183 -0.0183 -0.0144 -0.0144 3.3414 3.3414 4.7140 4.7140 5.6478 5.6478 5.6501 5.6501 7.1306 7.1306 17.2777 17.2777 19.8432 19.8432 19.8473 19.8473 23.3847 23.3847 k = 0.5000 0.5000 0.2219 ( 776 PWs) bands (ev): -4.8727 -4.8727 -0.0004 -0.0004 0.0035 0.0035 3.3013 3.3013 4.7638 4.7638 5.5959 5.5959 5.5982 5.5982 7.0517 7.0517 17.4441 17.4441 20.0046 20.0046 20.0088 20.0088 23.2431 23.2431 k = 0.5000 0.5000 0.2298 ( 776 PWs) bands (ev): -4.8640 -4.8640 0.0171 0.0171 0.0211 0.0211 3.2627 3.2627 4.8151 4.8151 5.5458 5.5458 5.5482 5.5482 6.9723 6.9723 17.6128 17.6128 20.1671 20.1671 20.1714 20.1714 23.0978 23.0978 k = 0.5000 0.5000 0.2377 ( 776 PWs) bands (ev): -4.8555 -4.8555 0.0342 0.0342 0.0382 0.0382 3.2259 3.2259 4.8680 4.8680 5.4978 5.4978 5.5001 5.5001 6.8928 6.8928 17.7836 17.7836 20.3300 20.3300 20.3345 20.3345 22.9490 22.9490 k = 0.5000 0.5000 0.2457 ( 776 PWs) bands (ev): -4.8475 -4.8475 0.0507 0.0507 0.0547 0.0547 3.1909 3.1909 4.9224 4.9224 5.4520 5.4520 5.4544 5.4544 6.8132 6.8132 17.9561 17.9561 20.4930 20.4930 20.4976 20.4976 22.7969 22.7969 k = 0.5000 0.5000 0.2536 ( 776 PWs) bands (ev): -4.8398 -4.8398 0.0665 0.0665 0.0705 0.0705 3.1579 3.1579 4.9781 4.9781 5.4086 5.4086 5.4110 5.4110 6.7336 6.7336 18.1299 18.1299 20.6552 20.6552 20.6601 20.6601 22.6420 22.6420 k = 0.5000 0.5000 0.2615 ( 776 PWs) bands (ev): -4.8325 -4.8325 0.0816 0.0816 0.0856 0.0856 3.1271 3.1271 5.0353 5.0353 5.3680 5.3680 5.3704 5.3704 6.6543 6.6543 18.3047 18.3047 20.8161 20.8161 20.8211 20.8211 22.4846 22.4846 k = 0.5000 0.5000 0.2694 ( 776 PWs) bands (ev): -4.8257 -4.8257 0.0957 0.0957 0.0998 0.0998 3.0985 3.0985 5.0936 5.0936 5.3301 5.3301 5.3326 5.3326 6.5754 6.5754 18.4800 18.4800 20.9746 20.9746 20.9799 20.9799 22.3252 22.3252 k = 0.5000 0.5000 0.2774 ( 776 PWs) bands (ev): -4.8194 -4.8194 0.1089 0.1089 0.1130 0.1130 3.0723 3.0723 5.1532 5.1532 5.2953 5.2953 5.2978 5.2978 6.4971 6.4971 18.6552 18.6552 21.1299 21.1299 21.1353 21.1353 22.1644 22.1644 k = 0.5000 0.5000 0.2853 ( 776 PWs) bands (ev): -4.8137 -4.8137 0.1210 0.1210 0.1251 0.1251 3.0485 3.0485 5.2137 5.2137 5.2637 5.2637 5.2662 5.2662 6.4195 6.4195 18.8295 18.8295 21.2805 21.2805 21.2861 21.2861 22.0028 22.0028 k = 0.5000 0.5000 0.2932 ( 780 PWs) bands (ev): -4.8085 -4.8085 0.1318 0.1318 0.1360 0.1360 3.0273 3.0273 5.2354 5.2354 5.2378 5.2378 5.2752 5.2752 6.3430 6.3430 19.0019 19.0019 21.4248 21.4248 21.4307 21.4307 21.8416 21.8416 k = 0.5000 0.5000 0.3011 ( 780 PWs) bands (ev): -4.8040 -4.8040 0.1415 0.1415 0.1456 0.1456 3.0088 3.0088 5.2105 5.2105 5.2130 5.2130 5.3370 5.3370 6.2680 6.2680 19.1712 19.1712 21.5608 21.5608 21.5670 21.5670 21.6822 21.6822 k = 0.5000 0.5000 0.3091 ( 780 PWs) bands (ev): -4.8001 -4.8001 0.1497 0.1497 0.1539 0.1539 2.9930 2.9930 5.1893 5.1893 5.1918 5.1918 5.3989 5.3989 6.1948 6.1948 19.3351 19.3351 21.5262 21.5262 21.6863 21.6863 21.6926 21.6926 k = 0.5000 0.5000 0.3170 ( 780 PWs) bands (ev): -4.7969 -4.7969 0.1566 0.1566 0.1608 0.1608 2.9800 2.9800 5.1718 5.1718 5.1744 5.1744 5.4599 5.4599 6.1246 6.1246 19.4904 19.4904 21.3776 21.3776 21.7974 21.7974 21.8040 21.8040 k = 0.5000 0.5000 0.3249 ( 780 PWs) bands (ev): -4.7944 -4.7944 0.1620 0.1620 0.1662 0.1662 2.9698 2.9698 5.1581 5.1581 5.1607 5.1607 5.5185 5.5185 6.0588 6.0588 19.6318 19.6318 21.2415 21.2415 21.8907 21.8907 21.8975 21.8975 k = 0.5000 0.5000 0.3328 ( 780 PWs) bands (ev): -4.7926 -4.7926 0.1659 0.1659 0.1701 0.1701 2.9625 2.9625 5.1483 5.1483 5.1508 5.1508 5.5712 5.5712 6.0009 6.0009 19.7503 19.7503 21.1267 21.1267 21.9618 21.9618 21.9688 21.9688 k = 0.5000 0.5000 0.3408 ( 776 PWs) bands (ev): -4.7915 -4.7915 0.1683 0.1683 0.1725 0.1725 2.9582 2.9582 5.1424 5.1424 5.1449 5.1449 5.6112 5.6112 5.9578 5.9578 19.8323 19.8323 21.0470 21.0470 22.0067 22.0067 22.0139 22.0139 k = 0.5000 0.5000 0.3487 ( 784 PWs) bands (ev): -4.7911 -4.7911 0.1691 0.1691 0.1733 0.1733 2.9567 2.9567 5.1404 5.1404 5.1429 5.1429 5.6270 5.6270 5.9410 5.9410 19.8621 19.8621 21.0177 21.0177 22.0218 22.0218 22.0290 22.0290 Writing output data file BC2N.save init_run : 2.20s CPU 11.92s WALL ( 1 calls) electrons : 128.75s CPU 133.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.44s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 128.71s CPU 133.76s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.88s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.51s WALL ( 1 calls) newd : 0.31s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.17s WALL ( 565 calls) cegterg : 99.25s CPU 100.20s WALL ( 582 calls) Called by sum_band: Called by *egterg: h_psi : 48.44s CPU 52.02s WALL ( 9689 calls) s_psi : 1.47s CPU 2.60s WALL ( 9689 calls) g_psi : 0.02s CPU 0.11s WALL ( 8542 calls) cdiaghg : 37.42s CPU 36.86s WALL ( 9107 calls) cegterg:over : 9.25s CPU 7.65s WALL ( 8542 calls) cegterg:upda : 0.22s CPU 0.69s WALL ( 8542 calls) cegterg:last : 0.12s CPU 0.51s WALL ( 1888 calls) Called by h_psi: h_psi:vloc : 39.58s CPU 43.87s WALL ( 9689 calls) h_psi:vnl : 8.84s CPU 8.09s WALL ( 9689 calls) add_vuspsi : 0.53s CPU 1.77s WALL ( 9689 calls) General routines calbec : 8.30s CPU 6.24s WALL ( 9689 calls) fft : 0.34s CPU 1.26s WALL ( 19 calls) ffts : 0.05s CPU 0.07s WALL ( 4 calls) fftw : 38.18s CPU 42.29s WALL ( 612928 calls) interpolate : 0.13s CPU 0.17s WALL ( 4 calls) davcio : 0.02s CPU 1.24s WALL ( 1130 calls) Parallel routines fft_scatter : 29.79s CPU 32.49s WALL ( 612951 calls) PWSCF : 2m40.62s CPU 4m20.80s WALL This run was terminated on: 0: 1:10 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=