Program PWSCF v.5.1.1 starts on 23Jul2015 at 16: 6:27 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./BaSe3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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 90 71 21 2150 1499 239 Max 92 72 22 2151 1509 240 Sum 2917 2285 673 68823 48147 7649 bravais-lattice index = 14 lattice parameter (alat) = 13.7576 a.u. unit-cell volume = 1519.9208 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.757583 celldm(2)= 1.000000 celldm(3)= 0.583706 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 0.583706 ) 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 1.713190 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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 Ba 10.00 137.32700 Ba( 1.00) Se 6.00 78.96000 Se( 1.00) 8 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 5) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 6) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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= 270 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0037037 k( 3) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0037037 k( 4) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0037037 k( 5) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0037037 k( 6) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0037037 k( 7) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0037037 k( 8) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0037037 k( 9) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0037037 k( 10) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0037037 k( 11) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0037037 k( 12) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0037037 k( 13) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0037037 k( 14) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0037037 k( 15) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0037037 k( 16) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0037037 k( 17) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0037037 k( 18) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0037037 k( 19) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0037037 k( 20) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0037037 k( 21) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0037037 k( 22) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0037037 k( 23) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 24) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 25) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0037037 k( 26) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0037037 k( 27) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0037037 k( 28) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0037037 k( 29) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0037037 k( 30) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0037037 k( 31) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0037037 k( 32) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0037037 k( 33) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0037037 k( 34) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0037037 k( 35) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0037037 k( 36) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0037037 k( 37) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0037037 k( 38) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0037037 k( 39) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0037037 k( 40) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0037037 k( 41) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0037037 k( 42) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0037037 k( 43) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0037037 k( 44) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0037037 k( 45) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0037037 k( 46) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 48) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0037037 k( 49) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0037037 k( 50) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0037037 k( 51) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0037037 k( 52) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0037037 k( 53) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0037037 k( 54) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0037037 k( 55) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0037037 k( 56) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0037037 k( 57) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0037037 k( 58) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0037037 k( 59) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0037037 k( 60) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0037037 k( 61) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0037037 k( 62) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0037037 k( 63) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0037037 k( 64) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0037037 k( 65) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0037037 k( 66) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0037037 k( 67) = ( 0.1774194 0.1774193 -0.0000000), wk = 0.0037037 k( 68) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0037037 k( 69) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0037037 k( 70) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0037037 k( 71) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0037037 k( 72) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0037037 k( 73) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0037037 k( 74) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0037037 k( 75) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0037037 k( 76) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0037037 k( 77) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0037037 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 80) = ( 0.0000000 0.0000000 0.0231512), wk = 0.0037037 k( 81) = ( 0.0000000 0.0000000 0.0463024), wk = 0.0037037 k( 82) = ( 0.0000000 0.0000000 0.0694536), wk = 0.0037037 k( 83) = ( 0.0000000 0.0000000 0.0926048), wk = 0.0037037 k( 84) = ( 0.0000000 0.0000000 0.1157561), wk = 0.0037037 k( 85) = ( 0.0000000 0.0000000 0.1389073), wk = 0.0037037 k( 86) = ( 0.0000000 0.0000000 0.1620585), wk = 0.0037037 k( 87) = ( 0.0000000 0.0000000 0.1852097), wk = 0.0037037 k( 88) = ( 0.0000000 0.0000000 0.2083609), wk = 0.0037037 k( 89) = ( 0.0000000 0.0000000 0.2315121), wk = 0.0037037 k( 90) = ( 0.0000000 0.0000000 0.2546633), wk = 0.0037037 k( 91) = ( 0.0000000 0.0000000 0.2778146), wk = 0.0037037 k( 92) = ( 0.0000000 0.0000000 0.3009658), wk = 0.0037037 k( 93) = ( 0.0000000 0.0000000 0.3241170), wk = 0.0037037 k( 94) = ( 0.0000000 0.0000000 0.3472682), wk = 0.0037037 k( 95) = ( 0.0000000 0.0000000 0.3704194), wk = 0.0037037 k( 96) = ( 0.0000000 0.0000000 0.3935706), wk = 0.0037037 k( 97) = ( 0.0000000 0.0000000 0.4167218), wk = 0.0037037 k( 98) = ( 0.0000000 0.0000000 0.4398731), wk = 0.0037037 k( 99) = ( 0.0000000 0.0000000 0.4630243), wk = 0.0037037 k( 100) = ( 0.0000000 0.0000000 0.4861755), wk = 0.0037037 k( 101) = ( 0.0000000 0.0000000 0.5093267), wk = 0.0037037 k( 102) = ( 0.0000000 0.0000000 0.5324779), wk = 0.0037037 k( 103) = ( 0.0000000 0.0000000 0.5556291), wk = 0.0037037 k( 104) = ( 0.0000000 0.0000000 0.5787803), wk = 0.0037037 k( 105) = ( 0.0000000 0.0000000 0.6019315), wk = 0.0037037 k( 106) = ( 0.0000000 0.0000000 0.6250828), wk = 0.0037037 k( 107) = ( 0.0000000 0.0000000 0.6482340), wk = 0.0037037 k( 108) = ( 0.0000000 0.0000000 0.6713852), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.6945364), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.7176876), wk = 0.0037037 k( 111) = ( 0.0000000 0.0000000 0.7408388), wk = 0.0037037 k( 112) = ( 0.0000000 0.0000000 0.7639900), wk = 0.0037037 k( 113) = ( 0.0000000 0.0000000 0.7871413), wk = 0.0037037 k( 114) = ( 0.0000000 0.0000000 0.8102925), wk = 0.0037037 k( 115) = ( 0.0000000 0.0000000 0.8334437), wk = 0.0037037 k( 116) = ( 0.0000000 0.0000000 0.8565949), wk = 0.0037037 k( 117) = ( 0.0000000 0.0000000 0.8565949), wk = 0.0037037 k( 118) = ( 0.0000000 0.0227273 0.8565949), wk = 0.0037037 k( 119) = ( 0.0000000 0.0454546 0.8565949), wk = 0.0037037 k( 120) = ( 0.0000000 0.0681818 0.8565949), wk = 0.0037037 k( 121) = ( 0.0000000 0.0909091 0.8565949), wk = 0.0037037 k( 122) = ( 0.0000000 0.1136364 0.8565949), wk = 0.0037037 k( 123) = ( 0.0000000 0.1363636 0.8565949), wk = 0.0037037 k( 124) = ( 0.0000000 0.1590909 0.8565949), wk = 0.0037037 k( 125) = ( 0.0000000 0.1818182 0.8565949), wk = 0.0037037 k( 126) = ( 0.0000000 0.2045454 0.8565949), wk = 0.0037037 k( 127) = ( 0.0000000 0.2272727 0.8565949), wk = 0.0037037 k( 128) = ( 0.0000000 0.2500000 0.8565949), wk = 0.0037037 k( 129) = ( 0.0000000 0.2727273 0.8565949), wk = 0.0037037 k( 130) = ( 0.0000000 0.2954545 0.8565949), wk = 0.0037037 k( 131) = ( 0.0000000 0.3181818 0.8565949), wk = 0.0037037 k( 132) = ( 0.0000000 0.3409091 0.8565949), wk = 0.0037037 k( 133) = ( 0.0000000 0.3636364 0.8565949), wk = 0.0037037 k( 134) = ( 0.0000000 0.3863636 0.8565949), wk = 0.0037037 k( 135) = ( 0.0000000 0.4090909 0.8565949), wk = 0.0037037 k( 136) = ( 0.0000000 0.4318182 0.8565949), wk = 0.0037037 k( 137) = ( 0.0000000 0.4545455 0.8565949), wk = 0.0037037 k( 138) = ( 0.0000000 0.4772727 0.8565949), wk = 0.0037037 k( 139) = ( 0.0000000 0.5000000 0.8565949), wk = 0.0037037 k( 140) = ( 0.0000000 0.5000000 0.8565949), wk = 0.0037037 k( 141) = ( 0.0227273 0.5000000 0.8565949), wk = 0.0037037 k( 142) = ( 0.0454546 0.5000000 0.8565949), wk = 0.0037037 k( 143) = ( 0.0681818 0.5000000 0.8565949), wk = 0.0037037 k( 144) = ( 0.0909091 0.5000000 0.8565949), wk = 0.0037037 k( 145) = ( 0.1136364 0.5000000 0.8565949), wk = 0.0037037 k( 146) = ( 0.1363636 0.5000000 0.8565949), wk = 0.0037037 k( 147) = ( 0.1590909 0.5000000 0.8565949), wk = 0.0037037 k( 148) = ( 0.1818182 0.5000000 0.8565949), wk = 0.0037037 k( 149) = ( 0.2045454 0.5000000 0.8565949), wk = 0.0037037 k( 150) = ( 0.2272727 0.5000000 0.8565949), wk = 0.0037037 k( 151) = ( 0.2500000 0.5000000 0.8565949), wk = 0.0037037 k( 152) = ( 0.2727273 0.5000000 0.8565949), wk = 0.0037037 k( 153) = ( 0.2954545 0.5000000 0.8565949), wk = 0.0037037 k( 154) = ( 0.3181818 0.5000000 0.8565949), wk = 0.0037037 k( 155) = ( 0.3409091 0.5000000 0.8565949), wk = 0.0037037 k( 156) = ( 0.3636364 0.5000000 0.8565949), wk = 0.0037037 k( 157) = ( 0.3863636 0.5000000 0.8565949), wk = 0.0037037 k( 158) = ( 0.4090909 0.5000000 0.8565949), wk = 0.0037037 k( 159) = ( 0.4318182 0.5000000 0.8565949), wk = 0.0037037 k( 160) = ( 0.4545455 0.5000000 0.8565949), wk = 0.0037037 k( 161) = ( 0.4772727 0.5000000 0.8565949), wk = 0.0037037 k( 162) = ( 0.5000000 0.5000000 0.8565949), wk = 0.0037037 k( 163) = ( 0.5000000 0.5000000 0.8565949), wk = 0.0037037 k( 164) = ( 0.4838710 0.4838710 0.8565949), wk = 0.0037037 k( 165) = ( 0.4677419 0.4677419 0.8565949), wk = 0.0037037 k( 166) = ( 0.4516129 0.4516129 0.8565949), wk = 0.0037037 k( 167) = ( 0.4354839 0.4354839 0.8565949), wk = 0.0037037 k( 168) = ( 0.4193548 0.4193548 0.8565949), wk = 0.0037037 k( 169) = ( 0.4032258 0.4032258 0.8565949), wk = 0.0037037 k( 170) = ( 0.3870968 0.3870968 0.8565949), wk = 0.0037037 k( 171) = ( 0.3709677 0.3709677 0.8565949), wk = 0.0037037 k( 172) = ( 0.3548387 0.3548387 0.8565949), wk = 0.0037037 k( 173) = ( 0.3387097 0.3387097 0.8565949), wk = 0.0037037 k( 174) = ( 0.3225807 0.3225806 0.8565949), wk = 0.0037037 k( 175) = ( 0.3064516 0.3064516 0.8565949), wk = 0.0037037 k( 176) = ( 0.2903226 0.2903226 0.8565949), wk = 0.0037037 k( 177) = ( 0.2741936 0.2741936 0.8565949), wk = 0.0037037 k( 178) = ( 0.2580645 0.2580645 0.8565949), wk = 0.0037037 k( 179) = ( 0.2419355 0.2419355 0.8565949), wk = 0.0037037 k( 180) = ( 0.2258064 0.2258064 0.8565949), wk = 0.0037037 k( 181) = ( 0.2096774 0.2096774 0.8565949), wk = 0.0037037 k( 182) = ( 0.1935484 0.1935484 0.8565949), wk = 0.0037037 k( 183) = ( 0.1774194 0.1774193 0.8565949), wk = 0.0037037 k( 184) = ( 0.1612903 0.1612903 0.8565949), wk = 0.0037037 k( 185) = ( 0.1451613 0.1451613 0.8565949), wk = 0.0037037 k( 186) = ( 0.1290323 0.1290323 0.8565949), wk = 0.0037037 k( 187) = ( 0.1129032 0.1129032 0.8565949), wk = 0.0037037 k( 188) = ( 0.0967742 0.0967742 0.8565949), wk = 0.0037037 k( 189) = ( 0.0806452 0.0806452 0.8565949), wk = 0.0037037 k( 190) = ( 0.0645161 0.0645161 0.8565949), wk = 0.0037037 k( 191) = ( 0.0483871 0.0483871 0.8565949), wk = 0.0037037 k( 192) = ( 0.0322581 0.0322581 0.8565949), wk = 0.0037037 k( 193) = ( 0.0161290 0.0161290 0.8565949), wk = 0.0037037 k( 194) = ( 0.0000000 0.0000000 0.8565949), wk = 0.0037037 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 196) = ( 0.0000000 0.5000000 0.0231512), wk = 0.0037037 k( 197) = ( 0.0000000 0.5000000 0.0463024), wk = 0.0037037 k( 198) = ( 0.0000000 0.5000000 0.0694536), wk = 0.0037037 k( 199) = ( 0.0000000 0.5000000 0.0926048), wk = 0.0037037 k( 200) = ( 0.0000000 0.5000000 0.1157561), wk = 0.0037037 k( 201) = ( 0.0000000 0.5000000 0.1389073), wk = 0.0037037 k( 202) = ( 0.0000000 0.5000000 0.1620585), wk = 0.0037037 k( 203) = ( 0.0000000 0.5000000 0.1852097), wk = 0.0037037 k( 204) = ( 0.0000000 0.5000000 0.2083609), wk = 0.0037037 k( 205) = ( 0.0000000 0.5000000 0.2315121), wk = 0.0037037 k( 206) = ( 0.0000000 0.5000000 0.2546633), wk = 0.0037037 k( 207) = ( 0.0000000 0.5000000 0.2778146), wk = 0.0037037 k( 208) = ( 0.0000000 0.5000000 0.3009658), wk = 0.0037037 k( 209) = ( 0.0000000 0.5000000 0.3241170), wk = 0.0037037 k( 210) = ( 0.0000000 0.5000000 0.3472682), wk = 0.0037037 k( 211) = ( 0.0000000 0.5000000 0.3704194), wk = 0.0037037 k( 212) = ( 0.0000000 0.5000000 0.3935706), wk = 0.0037037 k( 213) = ( 0.0000000 0.5000000 0.4167218), wk = 0.0037037 k( 214) = ( 0.0000000 0.5000000 0.4398731), wk = 0.0037037 k( 215) = ( 0.0000000 0.5000000 0.4630243), wk = 0.0037037 k( 216) = ( 0.0000000 0.5000000 0.4861755), wk = 0.0037037 k( 217) = ( 0.0000000 0.5000000 0.5093267), wk = 0.0037037 k( 218) = ( 0.0000000 0.5000000 0.5324779), wk = 0.0037037 k( 219) = ( 0.0000000 0.5000000 0.5556291), wk = 0.0037037 k( 220) = ( 0.0000000 0.5000000 0.5787803), wk = 0.0037037 k( 221) = ( 0.0000000 0.5000000 0.6019315), wk = 0.0037037 k( 222) = ( 0.0000000 0.5000000 0.6250828), wk = 0.0037037 k( 223) = ( 0.0000000 0.5000000 0.6482340), wk = 0.0037037 k( 224) = ( 0.0000000 0.5000000 0.6713852), wk = 0.0037037 k( 225) = ( 0.0000000 0.5000000 0.6945364), wk = 0.0037037 k( 226) = ( 0.0000000 0.5000000 0.7176876), wk = 0.0037037 k( 227) = ( 0.0000000 0.5000000 0.7408388), wk = 0.0037037 k( 228) = ( 0.0000000 0.5000000 0.7639900), wk = 0.0037037 k( 229) = ( 0.0000000 0.5000000 0.7871413), wk = 0.0037037 k( 230) = ( 0.0000000 0.5000000 0.8102925), wk = 0.0037037 k( 231) = ( 0.0000000 0.5000000 0.8334437), wk = 0.0037037 k( 232) = ( 0.0000000 0.5000000 0.8565949), wk = 0.0037037 k( 233) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 234) = ( 0.5000000 0.5000000 0.0231512), wk = 0.0037037 k( 235) = ( 0.5000000 0.5000000 0.0463024), wk = 0.0037037 k( 236) = ( 0.5000000 0.5000000 0.0694536), wk = 0.0037037 k( 237) = ( 0.5000000 0.5000000 0.0926048), wk = 0.0037037 k( 238) = ( 0.5000000 0.5000000 0.1157561), wk = 0.0037037 k( 239) = ( 0.5000000 0.5000000 0.1389073), wk = 0.0037037 k( 240) = ( 0.5000000 0.5000000 0.1620585), wk = 0.0037037 k( 241) = ( 0.5000000 0.5000000 0.1852097), wk = 0.0037037 k( 242) = ( 0.5000000 0.5000000 0.2083609), wk = 0.0037037 k( 243) = ( 0.5000000 0.5000000 0.2315121), wk = 0.0037037 k( 244) = ( 0.5000000 0.5000000 0.2546633), wk = 0.0037037 k( 245) = ( 0.5000000 0.5000000 0.2778146), wk = 0.0037037 k( 246) = ( 0.5000000 0.5000000 0.3009658), wk = 0.0037037 k( 247) = ( 0.5000000 0.5000000 0.3241170), wk = 0.0037037 k( 248) = ( 0.5000000 0.5000000 0.3472682), wk = 0.0037037 k( 249) = ( 0.5000000 0.5000000 0.3704194), wk = 0.0037037 k( 250) = ( 0.5000000 0.5000000 0.3935706), wk = 0.0037037 k( 251) = ( 0.5000000 0.5000000 0.4167218), wk = 0.0037037 k( 252) = ( 0.5000000 0.5000000 0.4398731), wk = 0.0037037 k( 253) = ( 0.5000000 0.5000000 0.4630243), wk = 0.0037037 k( 254) = ( 0.5000000 0.5000000 0.4861755), wk = 0.0037037 k( 255) = ( 0.5000000 0.5000000 0.5093267), wk = 0.0037037 k( 256) = ( 0.5000000 0.5000000 0.5324779), wk = 0.0037037 k( 257) = ( 0.5000000 0.5000000 0.5556291), wk = 0.0037037 k( 258) = ( 0.5000000 0.5000000 0.5787803), wk = 0.0037037 k( 259) = ( 0.5000000 0.5000000 0.6019315), wk = 0.0037037 k( 260) = ( 0.5000000 0.5000000 0.6250828), wk = 0.0037037 k( 261) = ( 0.5000000 0.5000000 0.6482340), wk = 0.0037037 k( 262) = ( 0.5000000 0.5000000 0.6713852), wk = 0.0037037 k( 263) = ( 0.5000000 0.5000000 0.6945364), wk = 0.0037037 k( 264) = ( 0.5000000 0.5000000 0.7176876), wk = 0.0037037 k( 265) = ( 0.5000000 0.5000000 0.7408388), wk = 0.0037037 k( 266) = ( 0.5000000 0.5000000 0.7639900), wk = 0.0037037 k( 267) = ( 0.5000000 0.5000000 0.7871413), wk = 0.0037037 k( 268) = ( 0.5000000 0.5000000 0.8102925), wk = 0.0037037 k( 269) = ( 0.5000000 0.5000000 0.8334437), wk = 0.0037037 k( 270) = ( 0.5000000 0.5000000 0.8565949), wk = 0.0037037 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0037037 k( 3) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0037037 k( 4) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0037037 k( 5) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0037037 k( 6) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0037037 k( 7) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0037037 k( 8) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0037037 k( 9) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0037037 k( 10) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0037037 k( 11) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0037037 k( 12) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0037037 k( 13) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0037037 k( 14) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0037037 k( 15) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0037037 k( 16) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0037037 k( 17) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0037037 k( 18) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0037037 k( 19) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0037037 k( 20) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0037037 k( 21) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0037037 k( 22) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0037037 k( 23) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037037 k( 24) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037037 k( 25) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0037037 k( 26) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0037037 k( 27) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0037037 k( 28) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0037037 k( 29) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0037037 k( 30) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0037037 k( 31) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0037037 k( 32) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0037037 k( 33) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0037037 k( 34) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0037037 k( 35) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0037037 k( 36) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0037037 k( 37) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0037037 k( 38) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0037037 k( 39) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0037037 k( 40) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0037037 k( 41) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0037037 k( 42) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0037037 k( 43) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0037037 k( 44) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0037037 k( 45) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0037037 k( 46) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 48) = ( 0.4838710 0.4838710 0.0000000), wk = 0.0037037 k( 49) = ( 0.4677419 0.4677419 0.0000000), wk = 0.0037037 k( 50) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0037037 k( 51) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0037037 k( 52) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0037037 k( 53) = ( 0.4032258 0.4032258 0.0000000), wk = 0.0037037 k( 54) = ( 0.3870968 0.3870968 0.0000000), wk = 0.0037037 k( 55) = ( 0.3709677 0.3709677 0.0000000), wk = 0.0037037 k( 56) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0037037 k( 57) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0037037 k( 58) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0037037 k( 59) = ( 0.3064516 0.3064516 0.0000000), wk = 0.0037037 k( 60) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0037037 k( 61) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0037037 k( 62) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0037037 k( 63) = ( 0.2419355 0.2419355 0.0000000), wk = 0.0037037 k( 64) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0037037 k( 65) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0037037 k( 66) = ( 0.1935484 0.1935484 0.0000000), wk = 0.0037037 k( 67) = ( 0.1774194 0.1774194 0.0000000), wk = 0.0037037 k( 68) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0037037 k( 69) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0037037 k( 70) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0037037 k( 71) = ( 0.1129032 0.1129032 0.0000000), wk = 0.0037037 k( 72) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0037037 k( 73) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0037037 k( 74) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0037037 k( 75) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0037037 k( 76) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0037037 k( 77) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0037037 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 80) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0037037 k( 81) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0037037 k( 82) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0037037 k( 83) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0037037 k( 84) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0037037 k( 85) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0037037 k( 86) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0037037 k( 87) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0037037 k( 88) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0037037 k( 89) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0037037 k( 90) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0037037 k( 91) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0037037 k( 92) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0037037 k( 93) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0037037 k( 94) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0037037 k( 95) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0037037 k( 96) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0037037 k( 97) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0037037 k( 98) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0037037 k( 99) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0037037 k( 100) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0037037 k( 101) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0037037 k( 102) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0037037 k( 103) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0037037 k( 104) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0037037 k( 105) = ( 0.0000000 0.0000000 0.3513513), wk = 0.0037037 k( 106) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0037037 k( 107) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0037037 k( 108) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0037037 k( 111) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0037037 k( 112) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0037037 k( 113) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0037037 k( 114) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0037037 k( 115) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0037037 k( 116) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 117) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 118) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0037037 k( 119) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0037037 k( 120) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0037037 k( 121) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0037037 k( 122) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0037037 k( 123) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0037037 k( 124) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0037037 k( 125) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0037037 k( 126) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0037037 k( 127) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0037037 k( 128) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0037037 k( 129) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0037037 k( 130) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0037037 k( 131) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0037037 k( 132) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0037037 k( 133) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0037037 k( 134) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0037037 k( 135) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0037037 k( 136) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0037037 k( 137) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0037037 k( 138) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0037037 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037037 k( 140) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037037 k( 141) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0037037 k( 142) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0037037 k( 143) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0037037 k( 144) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0037037 k( 145) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0037037 k( 146) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0037037 k( 147) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0037037 k( 148) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0037037 k( 149) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0037037 k( 150) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0037037 k( 151) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0037037 k( 152) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0037037 k( 153) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0037037 k( 154) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0037037 k( 155) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0037037 k( 156) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0037037 k( 157) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0037037 k( 158) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0037037 k( 159) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0037037 k( 160) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0037037 k( 161) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0037037 k( 162) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037037 k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037037 k( 164) = ( 0.4838710 0.4838710 0.5000000), wk = 0.0037037 k( 165) = ( 0.4677419 0.4677419 0.5000000), wk = 0.0037037 k( 166) = ( 0.4516129 0.4516129 0.5000000), wk = 0.0037037 k( 167) = ( 0.4354839 0.4354839 0.5000000), wk = 0.0037037 k( 168) = ( 0.4193548 0.4193548 0.5000000), wk = 0.0037037 k( 169) = ( 0.4032258 0.4032258 0.5000000), wk = 0.0037037 k( 170) = ( 0.3870968 0.3870968 0.5000000), wk = 0.0037037 k( 171) = ( 0.3709677 0.3709677 0.5000000), wk = 0.0037037 k( 172) = ( 0.3548387 0.3548387 0.5000000), wk = 0.0037037 k( 173) = ( 0.3387097 0.3387097 0.5000000), wk = 0.0037037 k( 174) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0037037 k( 175) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0037037 k( 176) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0037037 k( 177) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0037037 k( 178) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0037037 k( 179) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0037037 k( 180) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0037037 k( 181) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0037037 k( 182) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0037037 k( 183) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0037037 k( 184) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0037037 k( 185) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0037037 k( 186) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0037037 k( 187) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0037037 k( 188) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0037037 k( 189) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0037037 k( 190) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0037037 k( 191) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0037037 k( 192) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0037037 k( 193) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0037037 k( 194) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037037 k( 196) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0037037 k( 197) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0037037 k( 198) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0037037 k( 199) = ( 0.0000000 0.5000000 0.0540540), wk = 0.0037037 k( 200) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0037037 k( 201) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0037037 k( 202) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0037037 k( 203) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0037037 k( 204) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0037037 k( 205) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0037037 k( 206) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0037037 k( 207) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0037037 k( 208) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0037037 k( 209) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0037037 k( 210) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0037037 k( 211) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0037037 k( 212) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0037037 k( 213) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0037037 k( 214) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0037037 k( 215) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0037037 k( 216) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0037037 k( 217) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0037037 k( 218) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0037037 k( 219) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0037037 k( 220) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0037037 k( 221) = ( 0.0000000 0.5000000 0.3513514), wk = 0.0037037 k( 222) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0037037 k( 223) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0037037 k( 224) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0037037 k( 225) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0037037 k( 226) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0037037 k( 227) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0037037 k( 228) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0037037 k( 229) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0037037 k( 230) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0037037 k( 231) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0037037 k( 232) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037037 k( 233) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 234) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0037037 k( 235) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0037037 k( 236) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0037037 k( 237) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0037037 k( 238) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0037037 k( 239) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0037037 k( 240) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0037037 k( 241) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0037037 k( 242) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0037037 k( 243) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0037037 k( 244) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0037037 k( 245) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0037037 k( 246) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0037037 k( 247) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0037037 k( 248) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0037037 k( 249) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0037037 k( 250) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0037037 k( 251) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0037037 k( 252) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0037037 k( 253) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0037037 k( 254) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0037037 k( 255) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0037037 k( 256) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0037037 k( 257) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0037037 k( 258) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0037037 k( 259) = ( 0.5000000 0.5000000 0.3513513), wk = 0.0037037 k( 260) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0037037 k( 261) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0037037 k( 262) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0037037 k( 263) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0037037 k( 264) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0037037 k( 265) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0037037 k( 266) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0037037 k( 267) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0037037 k( 268) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0037037 k( 269) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0037037 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037037 Dense grid: 68823 G-vectors FFT dimensions: ( 64, 64, 36) Smooth grid: 48147 G-vectors FFT dimensions: ( 54, 54, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 388, 68) NL pseudopotentials 0.46 Mb ( 194, 154) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2151) G-vector shells 0.01 Mb ( 975) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.61 Mb ( 388, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.32 Mb ( 154, 2, 68) The potential is recalculated from file : ./BaSe3.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.1 secs Computing kpt #: 2 total cpu time spent up to now is 8.8 secs Computing kpt #: 3 total cpu time spent up to now is 11.9 secs Computing kpt #: 4 total cpu time spent up to now is 14.7 secs Computing kpt #: 5 total cpu time spent up to now is 17.7 secs Computing kpt #: 6 total cpu time spent up to now is 20.5 secs Computing kpt #: 7 total cpu time spent up to now is 23.3 secs Computing kpt #: 8 total cpu time spent up to now is 26.1 secs Computing kpt #: 9 total cpu time spent up to now is 28.9 secs Computing kpt #: 10 total cpu time spent up to now is 32.8 secs Computing kpt #: 11 total cpu time spent up to now is 35.7 secs Computing kpt #: 12 total cpu time spent up to now is 38.4 secs Computing kpt #: 13 total cpu time spent up to now is 41.0 secs Computing kpt #: 14 total cpu time spent up to now is 43.6 secs Computing kpt #: 15 total cpu time spent up to now is 46.1 secs Computing kpt #: 16 total cpu time spent up to now is 48.6 secs Computing kpt #: 17 total cpu time spent up to now is 51.1 secs Computing kpt #: 18 total cpu time spent up to now is 53.6 secs Computing kpt #: 19 total cpu time spent up to now is 56.1 secs Computing kpt #: 20 total cpu time spent up to now is 58.5 secs Computing kpt #: 21 total cpu time spent up to now is 61.0 secs Computing kpt #: 22 total cpu time spent up to now is 63.5 secs Computing kpt #: 23 total cpu time spent up to now is 65.9 secs Computing kpt #: 24 total cpu time spent up to now is 68.3 secs Computing kpt #: 25 total cpu time spent up to now is 70.7 secs Computing kpt #: 26 total cpu time spent up to now is 73.1 secs Computing kpt #: 27 total cpu time spent up to now is 75.5 secs Computing kpt #: 28 total cpu time spent up to now is 78.0 secs Computing kpt #: 29 total cpu time spent up to now is 80.4 secs Computing kpt #: 30 total cpu time spent up to now is 82.8 secs Computing kpt #: 31 total cpu time spent up to now is 85.3 secs Computing kpt #: 32 total cpu time spent up to now is 87.8 secs Computing kpt #: 33 total cpu time spent up to now is 90.2 secs Computing kpt #: 34 total cpu time spent up to now is 92.7 secs Computing kpt #: 35 total cpu time spent up to now is 95.1 secs Computing kpt #: 36 total cpu time spent up to now is 97.6 secs Computing kpt #: 37 total cpu time spent up to now is 100.0 secs Computing kpt #: 38 total cpu time spent up to now is 102.4 secs Computing kpt #: 39 total cpu time spent up to now is 104.9 secs Computing kpt #: 40 total cpu time spent up to now is 107.3 secs Computing kpt #: 41 total cpu time spent up to now is 109.8 secs Computing kpt #: 42 total cpu time spent up to now is 112.2 secs Computing kpt #: 43 total cpu time spent up to now is 114.6 secs Computing kpt #: 44 total cpu time spent up to now is 117.0 secs Computing kpt #: 45 total cpu time spent up to now is 119.4 secs Computing kpt #: 46 total cpu time spent up to now is 121.7 secs Computing kpt #: 47 total cpu time spent up to now is 124.1 secs Computing kpt #: 48 total cpu time spent up to now is 126.5 secs Computing kpt #: 49 total cpu time spent up to now is 128.9 secs Computing kpt #: 50 total cpu time spent up to now is 131.3 secs Computing kpt #: 51 total cpu time spent up to now is 133.8 secs Computing kpt #: 52 total cpu time spent up to now is 136.2 secs Computing kpt #: 53 total cpu time spent up to now is 138.7 secs Computing kpt #: 54 total cpu time spent up to now is 141.2 secs Computing kpt #: 55 total cpu time spent up to now is 143.7 secs Computing kpt #: 56 total cpu time spent up to now is 146.2 secs Computing kpt #: 57 total cpu time spent up to now is 148.7 secs Computing kpt #: 58 total cpu time spent up to now is 151.2 secs Computing kpt #: 59 total cpu time spent up to now is 153.7 secs Computing kpt #: 60 total cpu time spent up to now is 156.2 secs Computing kpt #: 61 total cpu time spent up to now is 158.7 secs Computing kpt #: 62 total cpu time spent up to now is 161.2 secs Computing kpt #: 63 total cpu time spent up to now is 163.7 secs Computing kpt #: 64 total cpu time spent up to now is 166.3 secs Computing kpt #: 65 total cpu time spent up to now is 168.8 secs Computing kpt #: 66 total cpu time spent up to now is 171.5 secs Computing kpt #: 67 total cpu time spent up to now is 174.1 secs Computing kpt #: 68 total cpu time spent up to now is 176.8 secs Computing kpt #: 69 total cpu time spent up to now is 179.6 secs Computing kpt #: 70 total cpu time spent up to now is 182.3 secs Computing kpt #: 71 total cpu time spent up to now is 185.1 secs Computing kpt #: 72 total cpu time spent up to now is 187.8 secs Computing kpt #: 73 total cpu time spent up to now is 190.6 secs Computing kpt #: 74 total cpu time spent up to now is 193.6 secs Computing kpt #: 75 total cpu time spent up to now is 196.4 secs Computing kpt 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spent up to now is 243.3 secs Computing kpt #: 92 total cpu time spent up to now is 246.3 secs Computing kpt #: 93 total cpu time spent up to now is 249.3 secs Computing kpt #: 94 total cpu time spent up to now is 252.3 secs Computing kpt #: 95 total cpu time spent up to now is 255.1 secs Computing kpt #: 96 total cpu time spent up to now is 257.9 secs Computing kpt #: 97 total cpu time spent up to now is 260.7 secs Computing kpt #: 98 total cpu time spent up to now is 263.4 secs Computing kpt #: 99 total cpu time spent up to now is 266.2 secs Computing kpt #: 100 total cpu time spent up to now is 268.8 secs Computing kpt #: 101 total cpu time spent up to now is 271.4 secs Computing kpt #: 102 total cpu time spent up to now is 274.1 secs Computing kpt #: 103 total cpu time spent up to now is 276.7 secs Computing kpt #: 104 total cpu time spent up to now is 279.4 secs Computing kpt #: 105 total cpu time spent up to now is 282.1 secs Computing kpt #: 106 total cpu time spent up to now is 284.8 secs Computing kpt #: 107 total cpu time spent up to now is 287.4 secs Computing kpt #: 108 total cpu time spent up to now is 290.1 secs Computing kpt #: 109 total cpu time spent up to now is 292.8 secs Computing kpt #: 110 total cpu time spent up to now is 295.5 secs Computing kpt #: 111 total cpu time spent up to now is 298.2 secs Computing kpt #: 112 total cpu time spent up to now is 301.0 secs Computing kpt #: 113 total cpu time spent up to now is 303.7 secs Computing kpt #: 114 total cpu time spent up to now is 306.5 secs Computing kpt #: 115 total cpu time spent up to now is 309.3 secs Computing kpt #: 116 total cpu time spent up to now is 312.0 secs Computing kpt #: 117 total cpu time spent up to now is 314.8 secs Computing kpt #: 118 total cpu time spent up to now is 317.6 secs Computing kpt #: 119 total cpu time spent up to now is 320.4 secs Computing kpt #: 120 total cpu time spent up to now is 323.1 secs Computing kpt #: 121 total cpu time spent up to now is 326.3 secs Computing kpt #: 122 total cpu time spent up to now is 331.9 secs Computing kpt #: 123 total cpu time spent up to now is 336.0 secs Computing kpt #: 124 total cpu time spent up to now is 339.2 secs Computing kpt #: 125 total cpu time spent up to now is 342.1 secs Computing kpt #: 126 total cpu time spent up to now is 344.9 secs Computing kpt #: 127 total cpu time spent up to now is 347.8 secs Computing kpt #: 128 total cpu time spent up to now is 350.5 secs Computing kpt #: 129 total cpu time spent up to now is 353.3 secs Computing kpt #: 130 total cpu time spent up to now is 356.1 secs Computing kpt #: 131 total cpu time spent up to now is 358.9 secs Computing kpt #: 132 total cpu time spent up to now is 361.8 secs Computing kpt #: 133 total cpu time spent up to now is 364.7 secs Computing kpt #: 134 total cpu time spent up to now is 367.6 secs Computing kpt #: 135 total cpu time spent up to now is 370.5 secs Computing kpt #: 136 total cpu time spent up to now is 373.5 secs Computing kpt #: 137 total cpu time spent up to now is 376.3 secs Computing kpt #: 138 total cpu time spent up to now is 379.1 secs Computing kpt #: 139 total cpu time spent up to now is 381.7 secs Computing kpt #: 140 total cpu time spent up to now is 384.5 secs Computing kpt #: 141 total cpu time spent up to now is 387.1 secs Computing kpt #: 142 total cpu time spent up to now is 389.8 secs Computing kpt #: 143 total cpu time spent up to now is 392.6 secs Computing kpt #: 144 total cpu time spent up to now is 395.6 secs Computing kpt #: 145 total cpu time spent up to now is 398.4 secs Computing kpt #: 146 total cpu time spent up to now is 401.2 secs Computing kpt #: 147 total cpu time spent up to now is 404.3 secs Computing kpt #: 148 total cpu time spent up to now is 407.1 secs Computing kpt #: 149 total cpu time spent up to now is 410.2 secs Computing kpt #: 150 total cpu time spent up to now is 413.0 secs Computing kpt #: 151 total cpu time spent up to now is 415.7 secs Computing kpt #: 152 total cpu time spent up to now is 418.5 secs Computing kpt #: 153 total cpu time spent up to now is 421.3 secs Computing kpt #: 154 total cpu time spent up to now is 424.0 secs Computing kpt #: 155 total cpu time spent up to now is 426.8 secs Computing kpt #: 156 total cpu time spent up to now is 429.5 secs Computing kpt #: 157 total cpu time spent up to now is 432.2 secs Computing kpt #: 158 total cpu time spent up to now is 435.1 secs Computing kpt #: 159 total cpu time spent up to now is 437.9 secs Computing kpt #: 160 total cpu time spent up to now is 440.7 secs Computing kpt #: 161 total cpu time spent up to now is 443.6 secs Computing kpt #: 162 total cpu time spent up to now is 446.3 secs Computing kpt #: 163 total cpu time spent up to now is 449.3 secs Computing kpt #: 164 total cpu time spent up to now is 452.1 secs Computing kpt #: 165 total cpu time spent up to now is 454.9 secs Computing kpt #: 166 total cpu time spent up to now is 457.8 secs Computing kpt #: 167 total cpu time spent up to now is 460.9 secs Computing kpt #: 168 total cpu time spent up to now is 464.1 secs Computing kpt #: 169 total cpu time spent up to now is 467.3 secs Computing kpt #: 170 total cpu time spent up to now is 470.4 secs Computing kpt #: 171 total cpu time spent up to now is 473.7 secs Computing kpt #: 172 total cpu time spent up to now is 477.1 secs Computing kpt #: 173 total cpu time spent up to now is 480.4 secs Computing kpt #: 174 total cpu time spent up to now is 483.9 secs Computing kpt #: 175 total cpu time spent up to now is 487.4 secs Computing kpt #: 176 total cpu time spent up to now is 491.3 secs Computing kpt #: 177 total cpu time spent up to now is 495.3 secs Computing kpt #: 178 total cpu time spent up to now is 498.7 secs Computing kpt #: 179 total cpu time spent up to now is 503.0 secs Computing kpt #: 180 total cpu time spent up to now is 506.7 secs Computing kpt #: 181 total cpu time spent up to now is 510.0 secs Computing kpt #: 182 total cpu time spent up to now is 513.7 secs Computing kpt #: 183 total cpu time spent up to now is 517.3 secs Computing kpt #: 184 total cpu time spent up to now is 520.5 secs Computing kpt #: 185 total cpu time spent up to now is 523.4 secs Computing kpt #: 186 total cpu time spent up to now is 526.8 secs Computing kpt #: 187 total cpu time spent up to now is 530.1 secs Computing kpt #: 188 total cpu time spent up to now is 533.8 secs Computing kpt #: 189 total cpu time spent up to now is 536.7 secs Computing kpt #: 190 total cpu time spent up to now is 539.5 secs Computing kpt #: 191 total cpu time spent up to now is 542.7 secs Computing kpt #: 192 total cpu time spent up to now is 545.4 secs Computing kpt #: 193 total cpu time spent up to now is 548.2 secs Computing kpt #: 194 total cpu time spent up to now is 550.8 secs Computing kpt #: 195 total cpu time spent up to now is 553.2 secs Computing kpt #: 196 total cpu time spent up to now is 555.6 secs Computing kpt #: 197 total cpu time spent up to now is 558.0 secs Computing kpt #: 198 total cpu time spent up to now is 560.4 secs Computing kpt #: 199 total cpu time spent up to now is 562.8 secs Computing kpt #: 200 total cpu time spent up to now is 565.2 secs Computing kpt #: 201 total cpu time spent up to now is 567.6 secs Computing kpt #: 202 total cpu time spent up to now is 570.0 secs Computing kpt #: 203 total cpu time spent up to now is 572.4 secs Computing kpt #: 204 total cpu time spent up to now is 574.8 secs Computing kpt #: 205 total cpu time spent up to now is 577.2 secs Computing kpt #: 206 total cpu time spent up to now is 579.6 secs Computing kpt #: 207 total cpu time spent up to now is 582.1 secs Computing kpt #: 208 total cpu time spent up to now is 584.6 secs Computing kpt #: 209 total cpu time spent up to now is 587.0 secs Computing kpt #: 210 total cpu time spent up to now is 589.5 secs Computing kpt #: 211 total cpu time spent up to now is 592.0 secs Computing kpt #: 212 total cpu time spent up to now is 594.6 secs Computing kpt #: 213 total cpu time spent up to now is 597.2 secs Computing kpt #: 214 total cpu time spent up to now is 599.9 secs Computing kpt #: 215 total cpu time spent up to now is 602.8 secs Computing kpt #: 216 total cpu time spent up to now is 605.6 secs Computing kpt #: 217 total cpu time spent up to now is 608.4 secs Computing kpt #: 218 total cpu time spent up to now is 611.2 secs Computing kpt #: 219 total cpu time spent up to now is 614.0 secs Computing kpt #: 220 total cpu time spent up to now is 616.8 secs Computing kpt #: 221 total cpu time spent up to now is 619.6 secs Computing kpt #: 222 total cpu time spent up to now is 622.3 secs Computing kpt #: 223 total cpu time spent up to now is 625.1 secs Computing kpt #: 224 total cpu time spent up to now is 627.8 secs Computing kpt #: 225 total cpu time spent up to now is 630.7 secs Computing kpt #: 226 total cpu time spent up to now is 633.4 secs Computing kpt #: 227 total cpu time spent up to now is 636.1 secs Computing kpt #: 228 total cpu time spent up to now is 638.7 secs Computing kpt #: 229 total cpu time spent up to now is 641.5 secs Computing kpt #: 230 total cpu time spent up to now is 644.2 secs Computing kpt #: 231 total cpu time spent up to now is 646.8 secs Computing kpt #: 232 total cpu time spent up to now is 649.6 secs Computing kpt #: 233 total cpu time spent up to now is 651.9 secs Computing kpt #: 234 total cpu time spent up to now is 654.3 secs Computing kpt #: 235 total cpu time spent up to now is 656.6 secs Computing kpt #: 236 total cpu time spent up to now is 658.9 secs Computing kpt #: 237 total cpu time spent up to now is 661.3 secs Computing kpt #: 238 total cpu time spent up to now is 663.7 secs Computing kpt #: 239 total cpu time spent up to now is 666.0 secs Computing kpt #: 240 total cpu time spent up to now is 668.4 secs Computing kpt #: 241 total cpu time spent up to now is 670.8 secs Computing kpt #: 242 total cpu time spent up to now is 673.2 secs Computing kpt #: 243 total cpu time spent up to now is 675.5 secs Computing kpt #: 244 total cpu time spent up to now is 677.9 secs Computing kpt #: 245 total cpu time spent up to now is 680.3 secs Computing kpt #: 246 total cpu time spent up to now is 682.7 secs Computing kpt #: 247 total cpu time spent up to now is 685.1 secs Computing kpt #: 248 total cpu time spent up to now is 687.6 secs Computing kpt #: 249 total cpu time spent up to now is 690.1 secs Computing kpt #: 250 total cpu time spent up to now is 692.6 secs Computing kpt #: 251 total cpu time spent up to now is 695.2 secs Computing kpt #: 252 total cpu time spent up to now is 697.7 secs Computing kpt #: 253 total cpu time spent up to now is 700.3 secs Computing kpt #: 254 total cpu time spent up to now is 702.9 secs Computing kpt #: 255 total cpu time spent up to now is 705.5 secs Computing kpt #: 256 total cpu time spent up to now is 708.1 secs Computing kpt #: 257 total cpu time spent up to now is 710.7 secs Computing kpt #: 258 total cpu time spent up to now is 713.3 secs Computing kpt #: 259 total cpu time spent up to now is 715.8 secs Computing kpt #: 260 total cpu time spent up to now is 718.4 secs Computing kpt #: 261 total cpu time spent up to now is 721.0 secs Computing kpt #: 262 total cpu time spent up to now is 723.6 secs Computing kpt #: 263 total cpu time spent up to now is 726.2 secs Computing kpt #: 264 total cpu time spent up to now is 728.8 secs Computing kpt #: 265 total cpu time spent up to now is 731.4 secs Computing kpt #: 266 total cpu time spent up to now is 734.1 secs Computing kpt #: 267 total cpu time spent up to now is 736.8 secs Computing kpt #: 268 total cpu time spent up to now is 739.5 secs Computing kpt #: 269 total cpu time spent up to now is 742.3 secs Computing kpt #: 270 total cpu time spent up to now is 745.3 secs ethr = 1.79E-11, avg # of iterations = 33.7 total cpu time spent up to now is 745.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6015 PWs) bands (ev): -20.1936 -20.1936 -20.1857 -20.1857 -8.0703 -8.0703 -7.7455 -7.7455 -7.1269 -7.1269 -6.8191 -6.8191 -6.2286 -6.2286 -5.5141 -5.5141 -4.9092 -4.9092 -4.7186 -4.7186 -4.3740 -4.3740 -4.1301 -4.1301 -3.5686 -3.5686 -3.4655 -3.4655 2.1263 2.1263 2.1985 2.1985 3.3917 3.3917 3.5001 3.5001 3.6500 3.6500 3.9642 3.9642 3.9925 3.9925 4.9357 4.9357 5.8058 5.8058 5.8150 5.8150 5.9017 5.9017 6.0124 6.0124 6.8528 6.8528 6.9517 6.9517 8.0190 8.0190 8.1198 8.1198 9.2727 9.2727 9.3979 9.3979 9.4699 9.4699 10.4603 10.4603 k = 0.0000 0.0227-0.0000 ( 6011 PWs) bands (ev): -20.1936 -20.1936 -20.1858 -20.1858 -8.0704 -8.0704 -7.7472 -7.7465 -7.1273 -7.1241 -6.8205 -6.8171 -6.2274 -6.2274 -5.5178 -5.5108 -4.9093 -4.9092 -4.7202 -4.7171 -4.3773 -4.3725 -4.1319 -4.1319 -3.5680 -3.5671 -3.4651 -3.4649 2.1269 2.1272 2.1983 2.1999 3.3872 3.3922 3.5000 3.5023 3.6297 3.6648 3.9473 3.9838 3.9933 3.9969 4.9338 4.9389 5.7923 5.7957 5.8112 5.8289 5.8861 5.9236 6.0075 6.0168 6.8502 6.8516 6.9484 6.9500 8.0214 8.0250 8.1199 8.1253 9.2647 9.2669 9.3806 9.3925 9.4783 9.4881 10.4582 10.4618 k = 0.0000 0.0455-0.0000 ( 6019 PWs) bands (ev): -20.1935 -20.1935 -20.1858 -20.1858 -8.0706 -8.0705 -7.7516 -7.7502 -7.1252 -7.1188 -6.8213 -6.8148 -6.2238 -6.2236 -5.5217 -5.5079 -4.9095 -4.9094 -4.7217 -4.7156 -4.3825 -4.3729 -4.1373 -4.1372 -3.5653 -3.5636 -3.4637 -3.4633 2.1291 2.1297 2.1995 2.2025 3.3779 3.3881 3.5028 3.5066 3.6056 3.6722 3.9364 3.9974 3.9979 4.0132 4.9333 4.9432 5.7662 5.7770 5.8117 5.8319 5.8824 5.9458 6.0026 6.0211 6.8434 6.8466 6.9406 6.9438 8.0317 8.0390 8.1258 8.1365 9.2446 9.2475 9.3566 9.3702 9.5061 9.5170 10.4556 10.4627 k = 0.0000 0.0682-0.0000 ( 6017 PWs) bands (ev): -20.1935 -20.1935 -20.1858 -20.1858 -8.0708 -8.0708 -7.7585 -7.7564 -7.1207 -7.1112 -6.8216 -6.8121 -6.2179 -6.2173 -5.5259 -5.5053 -4.9098 -4.9096 -4.7232 -4.7142 -4.3896 -4.3751 -4.1460 -4.1458 -3.5607 -3.5582 -3.4613 -3.4607 2.1329 2.1338 2.2019 2.2065 3.3630 3.3785 3.5088 3.5136 3.5798 3.6714 3.9336 4.0059 4.0079 4.0370 4.9341 4.9488 5.7375 5.7506 5.8094 5.8280 5.8851 5.9615 6.0016 6.0259 6.8319 6.8375 6.9296 6.9346 8.0493 8.0607 8.1372 8.1530 9.2149 9.2173 9.3312 9.3430 9.5398 9.5491 10.4523 10.4623 k = 0.0000 0.0909-0.0000 ( 6023 PWs) bands (ev): -20.1934 -20.1934 -20.1859 -20.1859 -8.0712 -8.0711 -7.7677 -7.7649 -7.1140 -7.1016 -6.8213 -6.8092 -6.2097 -6.2084 -5.5306 -5.5033 -4.9102 -4.9098 -4.7245 -4.7128 -4.3983 -4.3789 -4.1580 -4.1577 -3.5544 -3.5511 -3.4581 -3.4573 2.1383 2.1396 2.2059 2.2117 3.3424 3.3628 3.5131 3.5222 3.5588 3.6639 3.9392 4.0166 4.0204 4.0620 4.9361 4.9555 5.7070 5.7193 5.8045 5.8225 5.8853 5.9620 6.0118 6.0317 6.8155 6.8241 6.9172 6.9242 8.0731 8.0889 8.1538 8.1744 9.1783 9.1797 9.3041 9.3133 9.5751 9.5824 10.4480 10.4605 k = 0.0000 0.1136-0.0000 ( 6033 PWs) bands (ev): -20.1933 -20.1933 -20.1860 -20.1860 -8.0715 -8.0714 -7.7788 -7.7755 -7.1055 -7.0902 -6.8206 -6.8064 -6.1994 -6.1969 -5.5357 -5.5019 -4.9106 -4.9100 -4.7256 -4.7116 -4.4086 -4.3841 -4.1728 -4.1723 -3.5467 -3.5426 -3.4541 -3.4531 2.1453 2.1470 2.2113 2.2184 3.3164 3.3412 3.4975 3.5286 3.5610 3.6556 3.9518 4.0296 4.0348 4.0871 4.9395 4.9631 5.6755 5.6853 5.7967 5.8166 5.8798 5.9516 6.0282 6.0382 6.7949 6.8067 6.9050 6.9137 8.1021 8.1227 8.1750 8.1999 9.1371 9.1378 9.2744 9.2817 9.6106 9.6161 10.4425 10.4571 k = 0.0000 0.1364-0.0000 ( 6031 PWs) bands (ev): -20.1932 -20.1932 -20.1861 -20.1861 -8.0718 -8.0718 -7.7916 -7.7877 -7.0952 -7.0774 -6.8195 -6.8038 -6.1869 -6.1828 -5.5413 -5.5013 -4.9108 -4.9099 -4.7265 -4.7104 -4.4202 -4.3906 -4.1902 -4.1896 -3.5378 -3.5330 -3.4496 -3.4483 2.1540 2.1560 2.2185 2.2265 3.2860 3.3145 3.4664 3.5248 3.5820 3.6556 3.9696 4.0444 4.0510 4.1121 4.9441 4.9717 5.6434 5.6500 5.7853 5.8102 5.8679 5.9370 6.0442 6.0446 6.7715 6.7865 6.8938 6.9036 8.1352 8.1610 8.2002 8.2290 9.0929 9.0934 9.2422 9.2485 9.6458 9.6496 10.4359 10.4521 k = 0.0000 0.1591-0.0000 ( 6027 PWs) bands (ev): -20.1931 -20.1931 -20.1862 -20.1862 -8.0720 -8.0719 -7.8057 -7.8014 -7.0836 -7.0633 -6.8181 -6.8015 -6.1724 -6.1662 -5.5477 -5.5017 -4.9109 -4.9096 -4.7270 -4.7093 -4.4329 -4.3981 -4.2098 -4.2089 -3.5281 -3.5225 -3.4447 -3.4430 2.1643 2.1667 2.2274 2.2362 3.2520 3.2835 3.4303 3.5061 3.6109 3.6701 3.9907 4.0608 4.0682 4.1369 4.9499 4.9812 5.6110 5.6139 5.7691 5.8024 5.8506 5.9209 6.0497 6.0578 6.7474 6.7653 6.8835 6.8940 8.1714 8.2027 8.2287 8.2607 9.0471 9.0479 9.2079 9.2145 9.6803 9.6828 10.4284 10.4457 k = 0.0000 0.1818-0.0000 ( 6025 PWs) bands (ev): -20.1929 -20.1929 -20.1864 -20.1864 -8.0721 -8.0719 -7.8208 -7.8161 -7.0708 -7.0484 -6.8166 -6.7998 -6.1559 -6.1471 -5.5548 -5.5033 -4.9105 -4.9088 -4.7272 -4.7083 -4.4465 -4.4063 -4.2313 -4.2301 -3.5177 -3.5115 -3.4395 -3.4374 2.1762 2.1790 2.2383 2.2476 3.2153 3.2490 3.3917 3.4755 3.6448 3.6965 4.0136 4.0790 4.0859 4.1619 4.9569 4.9914 5.5775 5.5786 5.7466 5.7897 5.8318 5.9054 6.0527 6.0681 6.7246 6.7448 6.8738 6.8846 8.2099 8.2469 8.2597 8.2943 9.0006 9.0021 9.1721 9.1802 9.7137 9.7154 10.4200 10.4380 k = 0.0000 0.2045-0.0000 ( 6015 PWs) bands (ev): -20.1928 -20.1928 -20.1865 -20.1865 -8.0719 -8.0717 -7.8365 -7.8316 -7.0571 -7.0329 -6.8152 -6.7987 -6.1375 -6.1256 -5.5630 -5.5063 -4.9096 -4.9073 -4.7270 -4.7074 -4.4607 -4.4151 -4.2544 -4.2528 -3.5069 -3.5002 -3.4341 -3.4316 2.1898 2.1928 2.2513 2.2608 3.1765 3.2120 3.3511 3.4377 3.6826 3.7301 4.0367 4.0997 4.1034 4.1875 4.9649 5.0023 5.5412 5.5463 5.7163 5.7656 5.8184 5.8921 6.0530 6.0749 6.7046 6.7267 6.8646 6.8751 8.2501 8.2924 8.2927 8.3287 8.9544 8.9569 9.1355 9.1463 9.7462 9.7473 10.4107 10.4290 k = 0.0000 0.2273-0.0000 ( 6019 PWs) bands (ev): -20.1926 -20.1926 -20.1867 -20.1867 -8.0715 -8.0711 -7.8527 -7.8477 -7.0428 -7.0170 -6.8140 -6.7985 -6.1174 -6.1019 -5.5723 -5.5110 -4.9079 -4.9050 -4.7265 -4.7067 -4.4753 -4.4243 -4.2786 -4.2765 -3.4961 -3.4888 -3.4288 -3.4259 2.2050 2.2081 2.2665 2.2758 3.1363 3.1730 3.3090 3.3955 3.7232 3.7678 4.0585 4.1202 4.1242 4.2144 4.9738 5.0139 5.5050 5.5144 5.6777 5.7291 5.8118 5.8820 6.0502 6.0781 6.6885 6.7117 6.8555 6.8655 8.2911 8.3258 8.3389 8.3635 8.9091 8.9131 9.0989 9.1136 9.7777 9.7785 10.4006 10.4187 k = 0.0000 0.2500-0.0000 ( 6007 PWs) bands (ev): -20.1924 -20.1924 -20.1869 -20.1869 -8.0707 -8.0701 -7.8691 -7.8639 -7.0279 -7.0009 -6.8131 -6.7991 -6.0957 -6.0763 -5.5829 -5.5175 -4.9052 -4.9016 -4.7258 -4.7063 -4.4900 -4.4336 -4.3037 -4.3009 -3.4853 -3.4776 -3.4237 -3.4202 2.2218 2.2248 2.2839 2.2927 3.0952 3.1328 3.2658 3.3506 3.7658 3.8076 4.0775 4.1354 4.1538 4.2434 4.9837 5.0261 5.4690 5.4828 5.6312 5.6838 5.8089 5.8753 6.0444 6.0779 6.6769 6.7005 6.8464 6.8557 8.3324 8.3592 8.3829 8.3997 8.8656 8.8712 9.0627 9.0827 9.8085 9.8093 10.3896 10.4071 k = 0.0000 0.2727-0.0000 ( 6021 PWs) bands (ev): -20.1922 -20.1922 -20.1871 -20.1871 -8.0694 -8.0687 -7.8855 -7.8802 -7.0127 -6.9849 -6.8127 -6.8007 -6.0726 -6.0488 -5.5950 -5.5261 -4.9013 -4.8970 -4.7249 -4.7063 -4.5045 -4.4429 -4.3293 -4.3256 -3.4748 -3.4666 -3.4189 -3.4149 2.2400 2.2428 2.3034 2.3114 3.0538 3.0920 3.2215 3.3039 3.8094 3.8477 4.0932 4.1486 4.1895 4.2755 4.9942 5.0389 5.4331 5.4516 5.5779 5.6322 5.8084 5.8718 6.0359 6.0744 6.6697 6.6931 6.8374 6.8457 8.3732 8.3919 8.4188 8.4414 8.8245 8.8318 9.0276 9.0541 9.8388 9.8399 10.3776 10.3941 k = 0.0000 0.2955-0.0000 ( 6017 PWs) bands (ev): -20.1920 -20.1920 -20.1873 -20.1873 -8.0677 -8.0668 -7.9017 -7.8964 -6.9973 -6.9691 -6.8129 -6.8032 -6.0481 -6.0198 -5.6086 -5.5369 -4.8959 -4.8910 -4.7242 -4.7069 -4.5184 -4.4520 -4.3550 -4.3502 -3.4646 -3.4562 -3.4144 -3.4099 2.2597 2.2620 2.3248 2.3317 3.0126 3.0513 3.1767 3.2560 3.8530 3.8869 4.1059 4.1594 4.2312 4.3113 5.0054 5.0522 5.3972 5.4202 5.5193 5.5760 5.8097 5.8709 6.0251 6.0680 6.6666 6.6893 6.8283 6.8355 8.4119 8.4242 8.4473 8.4863 8.7864 8.7955 8.9940 9.0282 9.8691 9.8704 10.3644 10.3796 k = 0.0000 0.3182-0.0000 ( 6021 PWs) bands (ev): -20.1917 -20.1917 -20.1875 -20.1875 -8.0653 -8.0642 -7.9175 -7.9123 -6.9819 -6.9536 -6.8138 -6.8068 -6.0225 -5.9896 -5.6239 -5.5501 -4.8891 -4.8834 -4.7239 -4.7083 -4.5314 -4.4607 -4.3806 -4.3741 -3.4550 -3.4463 -3.4105 -3.4054 2.2806 2.2825 2.3478 2.3535 2.9723 3.0116 3.1315 3.2075 3.8956 3.9238 4.1158 4.1675 4.2789 4.3515 5.0169 5.0662 5.3605 5.3875 5.4579 5.5169 5.8127 5.8725 6.0125 6.0591 6.6672 6.6887 6.8191 6.8250 8.4446 8.4583 8.4709 8.5305 8.7523 8.7629 8.9623 9.0050 9.8995 9.9011 10.3498 10.3633 k = 0.0000 0.3409-0.0000 ( 6013 PWs) bands (ev): -20.1915 -20.1915 -20.1877 -20.1877 -8.0623 -8.0610 -7.9328 -7.9277 -6.9666 -6.9386 -6.8155 -6.8114 -5.9960 -5.9583 -5.6408 -5.5656 -4.8806 -4.8743 -4.7246 -4.7108 -4.5429 -4.4688 -4.4056 -4.3968 -3.4460 -3.4370 -3.4072 -3.4016 2.3027 2.3041 2.3716 2.3763 2.9337 2.9735 3.0863 3.1590 3.9363 3.9579 4.1232 4.1728 4.3325 4.3966 5.0282 5.0808 5.3221 5.3480 5.4002 5.4576 5.8173 5.8762 5.9984 6.0482 6.6707 6.6907 6.8099 6.8143 8.4707 8.4903 8.4938 8.5711 8.7240 8.7348 8.9325 8.9845 9.9305 9.9323 10.3335 10.3452 k = 0.0000 0.3636-0.0000 ( 6011 PWs) bands (ev): -20.1912 -20.1912 -20.1880 -20.1880 -8.0586 -8.0570 -7.9475 -7.9426 -6.9515 -6.9241 -6.8180 -6.8170 -5.9688 -5.9263 -5.6595 -5.5835 -4.8705 -4.8637 -4.7267 -4.7147 -4.5522 -4.4762 -4.4297 -4.4180 -3.4376 -3.4286 -3.4045 -3.3984 2.3258 2.3266 2.3954 2.3992 2.8976 2.9384 3.0417 3.1110 3.9744 3.9886 4.1282 4.1753 4.3915 4.4468 5.0382 5.0960 5.2805 5.2916 5.3570 5.4016 5.8236 5.8819 5.9834 6.0357 6.6765 6.6949 6.8006 6.8035 8.4923 8.5055 8.5267 8.6030 8.7063 8.7123 8.9049 8.9661 9.9620 9.9640 10.3152 10.3250 k = 0.0000 0.3864-0.0000 ( 6015 PWs) bands (ev): -20.1910 -20.1910 -20.1882 -20.1882 -8.0542 -8.0523 -7.9615 -7.9568 -6.9368 -6.9103 -6.8236 -6.8215 -5.9410 -5.8938 -5.6797 -5.6037 -4.8589 -4.8515 -4.7308 -4.7203 -4.5588 -4.4826 -4.4527 -4.4370 -3.4301 -3.4210 -3.4025 -3.3959 2.3496 2.3498 2.4181 2.4213 2.8654 2.9075 2.9980 3.0641 4.0092 4.0160 4.1307 4.1750 4.4552 4.5022 5.0441 5.1117 5.2227 5.2359 5.3253 5.3522 5.8313 5.8894 5.9677 6.0221 6.6841 6.7008 6.7912 6.7924 8.5102 8.5174 8.5540 8.6153 8.6974 8.7096 8.8792 8.9490 9.9942 9.9963 10.2948 10.3027 k = 0.0000 0.4091-0.0000 ( 6013 PWs) bands (ev): -20.1907 -20.1907 -20.1885 -20.1885 -8.0489 -8.0467 -7.9747 -7.9702 -6.9224 -6.8973 -6.8312 -6.8260 -5.9129 -5.8612 -5.7015 -5.6262 -4.8459 -4.8380 -4.7374 -4.7278 -4.5621 -4.4878 -4.4742 -4.4535 -3.4234 -3.4142 -3.4013 -3.3942 2.3733 2.3738 2.4378 2.4409 2.8387 2.8826 2.9559 3.0190 4.0400 4.0406 4.1308 4.1720 4.5230 4.5625 5.0386 5.1253 5.1515 5.1949 5.2981 5.3109 5.8405 5.8985 5.9517 6.0075 6.6931 6.7080 6.7813 6.7817 8.5247 8.5267 8.5719 8.6080 8.6934 8.7335 8.8551 8.9323 10.0271 10.0290 10.2721 10.2782 k = 0.0000 0.4318-0.0000 ( 5999 PWs) bands (ev): -20.1904 -20.1904 -20.1888 -20.1888 -8.0428 -8.0403 -7.9871 -7.9829 -6.9085 -6.8851 -6.8397 -6.8314 -5.8847 -5.8287 -5.7248 -5.6507 -4.8318 -4.8235 -4.7465 -4.7375 -4.5618 -4.4940 -4.4915 -4.4671 -3.4175 -3.4084 -3.4010 -3.3935 2.3965 2.3976 2.4526 2.4559 2.8197 2.8659 2.9164 2.9767 4.0609 4.0684 4.1284 4.1661 4.5941 4.6271 5.0097 5.0701 5.1480 5.1718 5.2729 5.2766 5.8511 5.9092 5.9357 5.9926 6.7030 6.7161 6.7700 6.7722 8.5344 8.5366 8.5785 8.5944 8.7018 8.7643 8.8320 8.9150 10.0604 10.0621 10.2471 10.2514 k = 0.0000 0.4545-0.0000 ( 5987 PWs) bands (ev): -20.1901 -20.1901 -20.1890 -20.1890 -8.0358 -8.0330 -7.9987 -7.9947 -6.8953 -6.8737 -6.8492 -6.8379 -5.8566 -5.7965 -5.7493 -5.6770 -4.8168 -4.8082 -4.7581 -4.7491 -4.5579 -4.5117 -4.4934 -4.4778 -3.4125 -3.4035 -3.4015 -3.3936 2.4182 2.4201 2.4604 2.4640 2.8106 2.8593 2.8806 2.9383 4.0788 4.0926 4.1236 4.1574 4.6674 4.6956 4.9562 4.9937 5.1659 5.1705 5.2472 5.2492 5.8629 5.9199 5.9211 5.9775 6.7136 6.7249 6.7586 6.7626 8.5416 8.5465 8.5765 8.5806 8.7194 8.7955 8.8094 8.8962 10.0939 10.0952 10.2199 10.2226 k = 0.0000 0.4773-0.0000 ( 5989 PWs) bands (ev): -20.1899 -20.1899 -20.1893 -20.1893 -8.0279 -8.0248 -8.0093 -8.0056 -6.8826 -6.8633 -6.8595 -6.8453 -5.8288 -5.7749 -5.7651 -5.7050 -4.8014 -4.7926 -4.7715 -4.7625 -4.5506 -4.5272 -4.4932 -4.4856 -3.4084 -3.4029 -3.3996 -3.3946 2.4373 2.4399 2.4601 2.4637 2.8130 2.8500 2.8642 2.9055 4.0940 4.1135 4.1163 4.1457 4.7420 4.7673 4.8892 4.9170 5.1819 5.1851 5.2217 5.2267 5.8759 5.9045 5.9341 5.9625 6.7246 6.7340 6.7472 6.7530 8.5491 8.5551 8.5683 8.5705 8.7411 8.7868 8.8247 8.8751 10.1274 10.1280 10.1907 10.1921 k = 0.0000 0.5000-0.0000 ( 5986 PWs) bands (ev): -20.1896 -20.1896 -20.1896 -20.1896 -8.0191 -8.0191 -8.0157 -8.0157 -6.8707 -6.8707 -6.8538 -6.8538 -5.8015 -5.8015 -5.7345 -5.7345 -4.7861 -4.7861 -4.7772 -4.7772 -4.5403 -4.5403 -4.4907 -4.4907 -3.4052 -3.4052 -3.3966 -3.3966 2.4519 2.4519 2.4552 2.4552 2.8267 2.8267 2.8801 2.8801 4.1064 4.1064 4.1312 4.1312 4.8166 4.8166 4.8413 4.8413 5.1997 5.1997 5.2054 5.2054 5.8898 5.8898 5.9479 5.9479 6.7359 6.7359 6.7435 6.7435 8.5579 8.5579 8.5631 8.5631 8.7640 8.7640 8.8513 8.8513 10.1599 10.1599 10.1602 10.1602 k = 0.0000 0.5000-0.0000 ( 5986 PWs) bands (ev): -20.1896 -20.1896 -20.1896 -20.1896 -8.0191 -8.0191 -8.0157 -8.0157 -6.8707 -6.8707 -6.8538 -6.8538 -5.8015 -5.8015 -5.7345 -5.7345 -4.7861 -4.7861 -4.7772 -4.7772 -4.5403 -4.5403 -4.4907 -4.4907 -3.4052 -3.4052 -3.3966 -3.3966 2.4519 2.4519 2.4552 2.4552 2.8267 2.8267 2.8801 2.8801 4.1064 4.1064 4.1312 4.1312 4.8166 4.8166 4.8413 4.8413 5.1997 5.1997 5.2054 5.2054 5.8898 5.8898 5.9479 5.9479 6.7359 6.7359 6.7435 6.7435 8.5579 8.5579 8.5631 8.5631 8.7640 8.7640 8.8513 8.8513 10.1599 10.1599 10.1602 10.1602 k = 0.0227 0.5000-0.0000 ( 5986 PWs) bands (ev): -20.1896 -20.1896 -20.1896 -20.1896 -8.0196 -8.0196 -8.0160 -8.0160 -6.8701 -6.8701 -6.8528 -6.8528 -5.8011 -5.8011 -5.7341 -5.7341 -4.7862 -4.7862 -4.7773 -4.7773 -4.5417 -4.5417 -4.4921 -4.4921 -3.4043 -3.4043 -3.3957 -3.3957 2.4464 2.4464 2.4512 2.4512 2.8317 2.8317 2.8852 2.8852 4.1054 4.1054 4.1306 4.1306 4.8181 4.8181 4.8437 4.8437 5.1989 5.1989 5.2059 5.2059 5.8906 5.8906 5.9488 5.9488 6.7320 6.7320 6.7397 6.7397 8.5451 8.5451 8.5696 8.5696 8.7665 8.7665 8.8552 8.8552 10.1610 10.1610 10.1624 10.1624 k = 0.0455 0.5000-0.0000 ( 5996 PWs) bands (ev): -20.1896 -20.1896 -20.1896 -20.1896 -8.0212 -8.0212 -8.0172 -8.0172 -6.8683 -6.8683 -6.8498 -6.8498 -5.7999 -5.7999 -5.7329 -5.7329 -4.7864 -4.7864 -4.7778 -4.7778 -4.5458 -4.5458 -4.4961 -4.4961 -3.4017 -3.4017 -3.3931 -3.3931 2.4318 2.4318 2.4388 2.4388 2.8461 2.8461 2.8998 2.8998 4.1022 4.1022 4.1287 4.1287 4.8227 4.8227 4.8508 4.8508 5.1968 5.1968 5.2069 5.2069 5.8929 5.8929 5.9514 5.9514 6.7203 6.7203 6.7287 6.7287 8.5255 8.5255 8.5702 8.5702 8.7745 8.7745 8.8659 8.8659 10.1651 10.1651 10.1680 10.1680 k = 0.0682 0.5000-0.0000 ( 5986 PWs) bands (ev): -20.1896 -20.1896 -20.1896 -20.1896 -8.0237 -8.0237 -8.0191 -8.0191 -6.8653 -6.8653 -6.8450 -6.8450 -5.7979 -5.7979 -5.7310 -5.7310 -4.7867 -4.7867 -4.7785 -4.7785 -4.5526 -4.5526 -4.5028 -4.5028 -3.3975 -3.3975 -3.3889 -3.3889 2.4102 2.4102 2.4191 2.4191 2.8681 2.8681 2.9223 2.9223 4.0970 4.0970 4.1255 4.1255 4.8306 4.8306 4.8623 4.8623 5.1941 5.1941 5.2077 5.2077 5.8966 5.8966 5.9558 5.9558 6.7012 6.7012 6.7109 6.7109 8.5029 8.5029 8.5626 8.5626 8.7881 8.7881 8.8818 8.8818 10.1724 10.1724 10.1769 10.1769 k = 0.0909 0.5000-0.0000 ( 5986 PWs) bands (ev): -20.1896 -20.1896 -20.1896 -20.1896 -8.0270 -8.0270 -8.0218 -8.0218 -6.8610 -6.8610 -6.8387 -6.8387 -5.7952 -5.7952 -5.7284 -5.7284 -4.7873 -4.7873 -4.7796 -4.7796 -4.5617 -4.5617 -4.5118 -4.5118 -3.3917 -3.3917 -3.3832 -3.3832 2.3840 2.3840 2.3939 2.3939 2.8961 2.8961 2.9508 2.9508 4.0898 4.0898 4.1208 4.1208 4.8418 4.8418 4.8778 4.8778 5.1912 5.1912 5.2082 5.2082 5.9017 5.9017 5.9617 5.9617 6.6752 6.6752 6.6868 6.6868 8.4781 8.4781 8.5477 8.5477 8.8065 8.8065 8.9009 8.9009 10.1828 10.1828 10.1889 10.1889 k = 0.1136 0.5000-0.0000 ( 5980 PWs) bands (ev): -20.1896 -20.1896 -20.1896 -20.1896 -8.0310 -8.0310 -8.0252 -8.0252 -6.8555 -6.8555 -6.8310 -6.8310 -5.7916 -5.7916 -5.7251 -5.7251 -4.7882 -4.7882 -4.7810 -4.7810 -4.5731 -4.5731 -4.5229 -4.5229 -3.3846 -3.3846 -3.3761 -3.3761 2.3546 2.3546 2.3649 2.3649 2.9284 2.9284 2.9837 2.9837 4.0809 4.0809 4.1145 4.1145 4.8561 4.8561 4.8970 4.8970 5.1881 5.1881 5.2084 5.2084 5.9079 5.9079 5.9692 5.9692 6.6430 6.6430 6.6573 6.6573 8.4521 8.4521 8.5275 8.5275 8.8278 8.8278 8.9215 8.9215 10.1961 10.1961 10.2040 10.2040 k = 0.1364 0.5000-0.0000 ( 5976 PWs) bands (ev): -20.1896 -20.1896 -20.1896 -20.1896 -8.0356 -8.0356 -8.0293 -8.0293 -6.8488 -6.8488 -6.8222 -6.8222 -5.7873 -5.7873 -5.7211 -5.7211 -4.7895 -4.7895 -4.7827 -4.7827 -4.5863 -4.5863 -4.5359 -4.5359 -3.3763 -3.3763 -3.3679 -3.3679 2.3233 2.3233 2.3336 2.3336 2.9639 2.9639 3.0198 3.0198 4.0701 4.0701 4.1065 4.1065 4.8735 4.8735 4.9195 4.9195 5.1849 5.1849 5.2083 5.2083 5.9149 5.9149 5.9780 5.9780 6.6054 6.6054 6.6232 6.6232 8.4253 8.4253 8.5038 8.5038 8.8500 8.8500 8.9421 8.9421 10.2124 10.2124 10.2221 10.2221 k = 0.1591 0.5000-0.0000 ( 5984 PWs) bands (ev): -20.1896 -20.1896 -20.1896 -20.1896 -8.0407 -8.0407 -8.0339 -8.0339 -6.8409 -6.8409 -6.8126 -6.8126 -5.7821 -5.7821 -5.7165 -5.7165 -4.7914 -4.7914 -4.7847 -4.7847 -4.6009 -4.6009 -4.5503 -4.5503 -3.3671 -3.3671 -3.3588 -3.3588 2.2912 2.2912 2.3011 2.3011 3.0016 3.0016 3.0583 3.0583 4.0576 4.0576 4.0968 4.0968 4.8937 4.8937 4.9449 4.9449 5.1817 5.1817 5.2079 5.2079 5.9224 5.9224 5.9880 5.9880 6.5632 6.5632 6.5855 6.5855 8.3985 8.3985 8.4780 8.4780 8.8712 8.8712 8.9613 8.9613 10.2316 10.2316 10.2431 10.2431 k = 0.1818 0.5000-0.0000 ( 5986 PWs) bands (ev): -20.1896 -20.1896 -20.1896 -20.1896 -8.0461 -8.0461 -8.0390 -8.0390 -6.8322 -6.8322 -6.8024 -6.8024 -5.7761 -5.7761 -5.7114 -5.7114 -4.7941 -4.7941 -4.7870 -4.7870 -4.6166 -4.6166 -4.5657 -4.5657 -3.3572 -3.3572 -3.3491 -3.3491 2.2588 2.2588 2.2682 2.2682 3.0411 3.0411 3.0985 3.0985 4.0433 4.0433 4.0852 4.0852 4.9163 4.9163 4.9730 4.9730 5.1787 5.1787 5.2074 5.2074 5.9299 5.9299 5.9990 5.9990 6.5174 6.5174 6.5450 6.5450 8.3723 8.3723 8.4516 8.4516 8.8902 8.8902 8.9779 8.9779 10.2537 10.2537 10.2670 10.2670 k = 0.2045 0.5000-0.0000 ( 5994 PWs) bands (ev): -20.1896 -20.1896 -20.1896 -20.1896 -8.0517 -8.0517 -8.0445 -8.0445 -6.8226 -6.8226 -6.7918 -6.7918 -5.7694 -5.7694 -5.7059 -5.7059 -4.7977 -4.7977 -4.7899 -4.7899 -4.6326 -4.6326 -4.5817 -4.5817 -3.3468 -3.3468 -3.3389 -3.3389 2.2268 2.2268 2.2356 2.2356 3.0820 3.0820 3.1400 3.1400 4.0273 4.0273 4.0716 4.0716 4.9411 4.9411 5.0032 5.0032 5.1760 5.1760 5.2071 5.2071 5.9369 5.9369 6.0106 6.0106 6.4688 6.4688 6.5028 6.5028 8.3474 8.3474 8.4254 8.4254 8.9056 8.9056 8.9906 8.9906 10.2786 10.2786 10.2935 10.2935 k = 0.2273 0.5000-0.0000 ( 5988 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0574 -8.0574 -8.0501 -8.0501 -6.8125 -6.8125 -6.7811 -6.7811 -5.7620 -5.7620 -5.6999 -5.6999 -4.8023 -4.8023 -4.7937 -4.7937 -4.6484 -4.6484 -4.5979 -4.5979 -3.3362 -3.3362 -3.3286 -3.3286 2.1957 2.1957 2.2038 2.2038 3.1239 3.1239 3.1825 3.1825 4.0094 4.0094 4.0561 4.0561 4.9674 4.9674 5.0352 5.0352 5.1737 5.1737 5.2073 5.2073 5.9426 5.9426 6.0223 6.0223 6.4185 6.4185 6.4599 6.4599 8.3244 8.3244 8.4004 8.4004 8.9168 8.9168 8.9988 8.9988 10.3060 10.3060 10.3224 10.3224 k = 0.2500 0.5000-0.0000 ( 5984 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0631 -8.0631 -8.0559 -8.0559 -6.8020 -6.8020 -6.7706 -6.7706 -5.7538 -5.7538 -5.6938 -5.6938 -4.8080 -4.8080 -4.7985 -4.7985 -4.6634 -4.6634 -4.6137 -4.6137 -3.3255 -3.3255 -3.3182 -3.3182 2.1657 2.1657 2.1731 2.1731 3.1666 3.1666 3.2257 3.2257 3.9897 3.9897 4.0386 4.0386 4.9946 4.9946 5.0683 5.0683 5.1722 5.1722 5.2084 5.2084 5.9463 5.9463 6.0335 6.0335 6.3676 6.3676 6.4176 6.4176 8.3039 8.3039 8.3773 8.3773 8.9232 8.9232 9.0020 9.0020 10.3357 10.3357 10.3532 10.3532 k = 0.2727 0.5000-0.0000 ( 5982 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0686 -8.0686 -8.0617 -8.0617 -6.7913 -6.7913 -6.7604 -6.7604 -5.7451 -5.7451 -5.6875 -5.6875 -4.8147 -4.8147 -4.8049 -4.8049 -4.6769 -4.6769 -4.6288 -4.6288 -3.3150 -3.3150 -3.3081 -3.3081 2.1373 2.1373 2.1440 2.1440 3.2099 3.2099 3.2695 3.2695 3.9682 3.9682 4.0190 4.0190 5.0218 5.0218 5.1010 5.1010 5.1727 5.1727 5.2114 5.2114 5.9468 5.9468 6.0429 6.0429 6.3174 6.3174 6.3772 6.3772 8.2863 8.2863 8.3565 8.3565 8.9249 8.9249 9.0000 9.0000 10.3671 10.3671 10.3853 10.3853 k = 0.2955 0.5000-0.0000 ( 6000 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0739 -8.0739 -8.0673 -8.0673 -6.7806 -6.7806 -6.7508 -6.7508 -5.7359 -5.7359 -5.6814 -5.6814 -4.8223 -4.8223 -4.8128 -4.8128 -4.6883 -4.6883 -4.6428 -4.6428 -3.3048 -3.3048 -3.2985 -3.2985 2.1107 2.1107 2.1168 2.1168 3.2536 3.2536 3.3136 3.3136 3.9448 3.9448 3.9974 3.9974 5.0479 5.0479 5.1290 5.1290 5.1791 5.1791 5.2175 5.2175 5.9431 5.9431 6.0487 6.0487 6.2702 6.2702 6.3400 6.3400 8.2719 8.2719 8.3385 8.3385 8.9222 8.9222 8.9932 8.9932 10.3995 10.3995 10.4180 10.4180 k = 0.3182 0.5000-0.0000 ( 5992 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0788 -8.0788 -8.0727 -8.0727 -6.7702 -6.7702 -6.7419 -6.7419 -5.7263 -5.7263 -5.6755 -5.6755 -4.8309 -4.8309 -4.8224 -4.8224 -4.6973 -4.6973 -4.6555 -4.6555 -3.2952 -3.2952 -3.2894 -3.2894 2.0863 2.0863 2.0917 2.0917 3.2975 3.2975 3.3578 3.3578 3.9196 3.9196 3.9737 3.9737 5.0711 5.0711 5.1436 5.1436 5.1992 5.1992 5.2286 5.2286 5.9341 5.9341 6.0474 6.0474 6.2299 6.2299 6.3075 6.3075 8.2611 8.2611 8.3234 8.3234 8.9157 8.9157 8.9820 8.9820 10.4320 10.4320 10.4503 10.4503 k = 0.3409 0.5000-0.0000 ( 5986 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0833 -8.0833 -8.0778 -8.0778 -6.7601 -6.7601 -6.7340 -6.7340 -5.7165 -5.7165 -5.6700 -5.6700 -4.8401 -4.8401 -4.8330 -4.8330 -4.7040 -4.7040 -4.6666 -4.6666 -3.2863 -3.2863 -3.2811 -3.2811 2.0642 2.0642 2.0689 2.0689 3.3415 3.3415 3.4020 3.4020 3.8926 3.8926 3.9479 3.9479 5.0899 5.0899 5.1472 5.1472 5.2289 5.2289 5.2472 5.2472 5.9192 5.9192 6.0341 6.0341 6.2014 6.2014 6.2807 6.2807 8.2537 8.2537 8.3112 8.3112 8.9063 8.9063 8.9672 8.9672 10.4638 10.4638 10.4814 10.4814 k = 0.3636 0.5000-0.0000 ( 5990 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0873 -8.0873 -8.0824 -8.0824 -6.7507 -6.7507 -6.7272 -6.7272 -5.7068 -5.7068 -5.6652 -5.6652 -4.8495 -4.8495 -4.8440 -4.8440 -4.7086 -4.7086 -4.6763 -4.6763 -3.2782 -3.2782 -3.2737 -3.2737 2.0447 2.0447 2.0488 2.0488 3.3854 3.3854 3.4458 3.4458 3.8639 3.8639 3.9202 3.9202 5.1037 5.1037 5.1469 5.1469 5.2583 5.2583 5.2759 5.2759 5.8988 5.8988 6.0068 6.0068 6.1872 6.1872 6.2599 6.2599 8.2497 8.2497 8.3015 8.3015 8.8952 8.8952 8.9500 8.9500 10.4939 10.4939 10.5103 10.5103 k = 0.3864 0.5000-0.0000 ( 5990 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0907 -8.0907 -8.0865 -8.0865 -6.7420 -6.7420 -6.7217 -6.7217 -5.6973 -5.6973 -5.6614 -5.6614 -4.8587 -4.8587 -4.8548 -4.8548 -4.7114 -4.7114 -4.6845 -4.6845 -3.2711 -3.2711 -3.2673 -3.2673 2.0279 2.0279 2.0313 2.0313 3.4288 3.4288 3.4890 3.4890 3.8337 3.8337 3.8905 3.8905 5.1132 5.1132 5.1453 5.1453 5.2875 5.2875 5.3101 5.3101 5.8742 5.8742 5.9694 5.9694 6.1840 6.1840 6.2445 6.2445 8.2487 8.2487 8.2941 8.2941 8.8835 8.8835 8.9314 8.9314 10.5215 10.5215 10.5362 10.5362 k = 0.4091 0.5000-0.0000 ( 5990 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0935 -8.0935 -8.0901 -8.0901 -6.7342 -6.7342 -6.7174 -6.7174 -5.6882 -5.6882 -5.6586 -5.6586 -4.8672 -4.8672 -4.8646 -4.8646 -4.7128 -4.7128 -4.6914 -4.6914 -3.2651 -3.2651 -3.2620 -3.2620 2.0141 2.0141 2.0168 2.0168 3.4717 3.4717 3.5310 3.5310 3.8024 3.8024 3.8592 3.8592 5.1196 5.1196 5.1431 5.1431 5.3179 5.3179 5.3438 5.3438 5.8480 5.8480 5.9279 5.9279 6.1864 6.1864 6.2334 6.2334 8.2503 8.2503 8.2883 8.2883 8.8727 8.8727 8.9127 8.9127 10.5458 10.5458 10.5583 10.5583 k = 0.4318 0.5000-0.0000 ( 5986 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0956 -8.0956 -8.0930 -8.0930 -6.7275 -6.7275 -6.7146 -6.7146 -5.6800 -5.6800 -5.6572 -5.6572 -4.8744 -4.8744 -4.8729 -4.8729 -4.7131 -4.7131 -4.6971 -4.6971 -3.2602 -3.2602 -3.2579 -3.2579 2.0032 2.0032 2.0053 2.0053 3.5134 3.5134 3.5709 3.5709 3.7708 3.7708 3.8265 3.8265 5.1241 5.1241 5.1407 5.1407 5.3483 5.3483 5.3739 5.3739 5.8236 5.8236 5.8869 5.8869 6.1913 6.1913 6.2252 6.2252 8.2538 8.2538 8.2835 8.2835 8.8640 8.8640 8.8952 8.8952 10.5659 10.5659 10.5758 10.5758 k = 0.4545 0.5000-0.0000 ( 5982 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0970 -8.0970 -8.0953 -8.0953 -6.7219 -6.7219 -6.7132 -6.7132 -5.6727 -5.6727 -5.6572 -5.6572 -4.8799 -4.8799 -4.8791 -4.8791 -4.7124 -4.7124 -4.7018 -4.7018 -3.2566 -3.2566 -3.2550 -3.2550 1.9955 1.9955 1.9969 1.9969 3.5536 3.5536 3.6062 3.6062 3.7415 3.7415 3.7930 3.7930 5.1276 5.1276 5.1382 5.1382 5.3759 5.3759 5.3971 5.3971 5.8050 5.8050 5.8499 5.8499 6.1969 6.1969 6.2189 6.2189 8.2586 8.2586 8.2790 8.2790 8.8586 8.8586 8.8799 8.8799 10.5814 10.5814 10.5882 10.5882 k = 0.4773 0.5000-0.0000 ( 5982 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0977 -8.0977 -8.0968 -8.0968 -6.7176 -6.7176 -6.7132 -6.7132 -5.6666 -5.6666 -5.6588 -5.6588 -4.8833 -4.8833 -4.8829 -4.8829 -4.7110 -4.7110 -4.7057 -4.7057 -3.2542 -3.2542 -3.2534 -3.2534 1.9910 1.9910 1.9917 1.9917 3.5906 3.5906 3.6279 3.6279 3.7233 3.7233 3.7601 3.7601 5.1304 5.1304 5.1356 5.1356 5.3977 5.3977 5.4099 5.4099 5.7968 5.7968 5.8204 5.8204 6.2026 6.2026 6.2134 6.2134 8.2639 8.2639 8.2743 8.2743 8.8572 8.8572 8.8680 8.8680 10.5916 10.5916 10.5951 10.5951 k = 0.5000 0.5000-0.0000 ( 5984 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0976 -8.0976 -8.0976 -8.0976 -6.7147 -6.7147 -6.7147 -6.7147 -5.6619 -5.6619 -5.6619 -5.6619 -4.8844 -4.8844 -4.8844 -4.8844 -4.7087 -4.7087 -4.7087 -4.7087 -3.2532 -3.2532 -3.2532 -3.2532 1.9897 1.9897 1.9897 1.9897 3.6200 3.6200 3.6200 3.6200 3.7322 3.7322 3.7322 3.7322 5.1331 5.1331 5.1331 5.1331 5.4100 5.4100 5.4100 5.4100 5.8018 5.8018 5.8018 5.8018 6.2081 6.2081 6.2081 6.2081 8.2693 8.2693 8.2693 8.2693 8.8603 8.8603 8.8603 8.8603 10.5962 10.5962 10.5962 10.5962 k = 0.5000 0.5000-0.0000 ( 5984 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0976 -8.0976 -8.0976 -8.0976 -6.7147 -6.7147 -6.7147 -6.7147 -5.6619 -5.6619 -5.6619 -5.6619 -4.8844 -4.8844 -4.8844 -4.8844 -4.7087 -4.7087 -4.7087 -4.7087 -3.2532 -3.2532 -3.2532 -3.2532 1.9897 1.9897 1.9897 1.9897 3.6200 3.6200 3.6200 3.6200 3.7322 3.7322 3.7322 3.7322 5.1331 5.1331 5.1331 5.1331 5.4100 5.4100 5.4100 5.4100 5.8018 5.8018 5.8018 5.8018 6.2081 6.2081 6.2081 6.2081 8.2693 8.2693 8.2693 8.2693 8.8603 8.8603 8.8603 8.8603 10.5962 10.5962 10.5962 10.5962 k = 0.4839 0.4839-0.0000 ( 5982 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0978 -8.0977 -8.0969 -8.0965 -6.7187 -6.7164 -6.7137 -6.7130 -5.6672 -5.6642 -5.6635 -5.6558 -4.8846 -4.8845 -4.8819 -4.8816 -4.7113 -4.7103 -4.7070 -4.7046 -3.2543 -3.2541 -3.2535 -3.2534 1.9900 1.9901 1.9922 1.9931 3.5833 3.5928 3.6296 3.6356 3.7153 3.7229 3.7571 3.7671 5.1289 5.1329 5.1342 5.1361 5.3900 5.4006 5.4122 5.4126 5.7960 5.7977 5.8137 5.8268 6.2008 6.2071 6.2081 6.2160 8.2614 8.2675 8.2721 8.2756 8.8553 8.8618 8.8625 8.8708 10.5911 10.5919 10.5938 10.5965 k = 0.4677 0.4677-0.0000 ( 5986 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0976 -8.0975 -8.0951 -8.0942 -6.7247 -6.7189 -6.7134 -6.7133 -5.6741 -5.6693 -5.6677 -5.6486 -4.8850 -4.8849 -4.8742 -4.8735 -4.7129 -4.7115 -4.7053 -4.6990 -3.2569 -3.2563 -3.2551 -3.2549 1.9910 1.9912 2.0005 2.0024 3.5333 3.5476 3.6318 3.6385 3.7100 3.7201 3.7960 3.8110 5.1237 5.1331 5.1366 5.1380 5.3508 5.3685 5.4147 5.4156 5.7993 5.8042 5.8365 5.8667 6.1941 6.2051 6.2075 6.2248 8.2521 8.2661 8.2761 8.2805 8.8558 8.8672 8.8681 8.8863 10.5789 10.5799 10.5869 10.5931 k = 0.4516 0.4516-0.0000 ( 5983 PWs) bands (ev): -20.1896 -20.1896 -20.1894 -20.1894 -8.0972 -8.0971 -8.0921 -8.0907 -6.7328 -6.7222 -6.7157 -6.7135 -5.6852 -5.6792 -5.6696 -5.6403 -4.8858 -4.8856 -4.8618 -4.8605 -4.7144 -4.7111 -4.7036 -4.6918 -3.2607 -3.2598 -3.2580 -3.2579 1.9926 1.9930 2.0145 2.0173 3.4776 3.4934 3.6314 3.6379 3.7073 3.7191 3.8399 3.8565 5.1177 5.1316 5.1394 5.1403 5.3007 5.3186 5.4188 5.4207 5.8055 5.8189 5.8696 5.9143 6.1884 6.2022 6.2069 6.2350 8.2422 8.2644 8.2815 8.2850 8.8609 8.8766 8.8769 8.9057 10.5592 10.5602 10.5770 10.5864 k = 0.4355 0.4355-0.0000 ( 5983 PWs) bands (ev): -20.1897 -20.1897 -20.1894 -20.1893 -8.0967 -8.0966 -8.0877 -8.0858 -6.7429 -6.7269 -6.7195 -6.7142 -5.7002 -5.6929 -5.6697 -5.6311 -4.8867 -4.8867 -4.8453 -4.8429 -4.7161 -4.7089 -4.7019 -4.6830 -3.2659 -3.2644 -3.2622 -3.2621 1.9949 1.9955 2.0341 2.0377 3.4190 3.4350 3.6297 3.6362 3.7048 3.7185 3.8838 3.9008 5.1111 5.1240 5.1409 5.1452 5.2489 5.2582 5.4246 5.4278 5.8158 5.8371 5.9079 5.9629 6.1845 6.1986 6.2076 6.2477 8.2323 8.2619 8.2884 8.2904 8.8697 8.8886 8.8897 8.9277 10.5323 10.5333 10.5645 10.5768 k = 0.4194 0.4194-0.0000 ( 5985 PWs) bands (ev): -20.1898 -20.1898 -20.1893 -20.1893 -8.0960 -8.0959 -8.0820 -8.0796 -6.7546 -6.7336 -6.7240 -6.7156 -5.7182 -5.7099 -5.6683 -5.6211 -4.8880 -4.8880 -4.8252 -4.8212 -4.7178 -4.7051 -4.7001 -4.6727 -3.2724 -3.2701 -3.2678 -3.2673 1.9979 1.9986 2.0591 2.0635 3.3589 3.3745 3.6272 3.6338 3.7021 3.7180 3.9258 3.9425 5.1006 5.1039 5.1417 5.1508 5.1924 5.2092 5.4322 5.4367 5.8296 5.8581 5.9460 6.0065 6.1830 6.1946 6.2125 6.2639 8.2232 8.2583 8.2969 8.2976 8.8814 8.9027 8.9054 8.9506 10.4989 10.5000 10.5501 10.5649 k = 0.4032 0.4032-0.0000 ( 5991 PWs) bands (ev): -20.1899 -20.1899 -20.1892 -20.1892 -8.0951 -8.0950 -8.0751 -8.0722 -6.7680 -6.7425 -6.7287 -6.7174 -5.7388 -5.7297 -5.6656 -5.6106 -4.8896 -4.8894 -4.8023 -4.7960 -4.7195 -4.6997 -4.6981 -4.6609 -3.2801 -3.2768 -3.2747 -3.2736 2.0015 2.0024 2.0891 2.0942 3.2982 3.3130 3.6240 3.6307 3.6991 3.7173 3.9651 3.9811 5.0529 5.0964 5.1190 5.1404 5.1620 5.1934 5.4414 5.4474 5.8462 5.8815 5.9802 6.0387 6.1838 6.1908 6.2273 6.2849 8.2155 8.2541 8.3071 8.3071 8.8951 8.9188 8.9225 8.9730 10.4598 10.4608 10.5342 10.5513 k = 0.3871 0.3871-0.0000 ( 5977 PWs) bands (ev): -20.1900 -20.1900 -20.1890 -20.1890 -8.0942 -8.0940 -8.0669 -8.0636 -6.7827 -6.7536 -6.7335 -6.7198 -5.7614 -5.7517 -5.6617 -5.5998 -4.8914 -4.8911 -4.7777 -4.7679 -4.7211 -4.6956 -4.6927 -4.6474 -3.2890 -3.2843 -3.2828 -3.2808 2.0057 2.0067 2.1238 2.1294 3.2375 3.2513 3.6203 3.6271 3.6956 3.7165 4.0013 4.0160 4.9897 5.0477 5.0889 5.1372 5.1706 5.1937 5.4522 5.4600 5.8648 5.9064 6.0083 6.0556 6.1859 6.1879 6.2566 6.3115 8.2095 8.2496 8.3191 8.3192 8.9100 8.9363 8.9399 8.9935 10.4158 10.4167 10.5175 10.5366 k = 0.3710 0.3710-0.0000 ( 5995 PWs) bands (ev): -20.1901 -20.1901 -20.1889 -20.1889 -8.0931 -8.0930 -8.0575 -8.0538 -6.7986 -6.7665 -6.7386 -6.7226 -5.7857 -5.7755 -5.6568 -5.5889 -4.8934 -4.8929 -4.7529 -4.7376 -4.7224 -4.6915 -4.6842 -4.6323 -3.2989 -3.2927 -3.2921 -3.2889 2.0105 2.0117 2.1628 2.1686 3.1774 3.1899 3.6161 3.6229 3.6917 3.7153 4.0339 4.0471 4.9205 4.9751 5.0810 5.1328 5.1816 5.2013 5.4645 5.4742 5.8845 5.9318 6.0294 6.0598 6.1872 6.1895 6.2980 6.3436 8.2052 8.2453 8.3332 8.3340 8.9245 8.9545 8.9568 9.0108 10.3678 10.3686 10.5007 10.5216 k = 0.3548 0.3548-0.0000 ( 5987 PWs) bands (ev): -20.1903 -20.1903 -20.1888 -20.1888 -8.0919 -8.0918 -8.0469 -8.0428 -6.8155 -6.7811 -6.7438 -6.7259 -5.8111 -5.8008 -5.6510 -5.5781 -4.8955 -4.8949 -4.7311 -4.7244 -4.7047 -4.6836 -4.6739 -4.6156 -3.3099 -3.3025 -3.3016 -3.2977 2.0159 2.0173 2.2053 2.2112 3.1188 3.1296 3.6114 3.6181 3.6874 3.7139 4.0628 4.0742 4.8489 4.9024 5.0731 5.1273 5.1943 5.2128 5.4783 5.4901 5.9043 5.9563 6.0440 6.0564 6.1899 6.1960 6.3459 6.3806 8.2027 8.2412 8.3496 8.3519 8.9362 8.9720 8.9737 9.0245 10.3166 10.3174 10.4843 10.5066 k = 0.3387 0.3387-0.0000 ( 5987 PWs) bands (ev): -20.1905 -20.1905 -20.1886 -20.1886 -8.0907 -8.0905 -8.0352 -8.0308 -6.8333 -6.7970 -6.7493 -6.7295 -5.8373 -5.8271 -5.6445 -5.5676 -4.8977 -4.8971 -4.7256 -4.7168 -4.6719 -4.6677 -4.6614 -4.5970 -3.3219 -3.3139 -3.3112 -3.3071 2.0218 2.0234 2.2506 2.2562 3.0624 3.0712 3.6064 3.6129 3.6826 3.7121 4.0878 4.0970 4.7767 4.8302 5.0650 5.1210 5.2086 5.2270 5.4935 5.5077 5.9229 5.9781 6.0489 6.0533 6.1979 6.2066 6.3962 6.4208 8.2014 8.2374 8.3685 8.3730 8.9423 8.9862 8.9917 9.0356 10.2632 10.2641 10.4688 10.4924 k = 0.3226 0.3226-0.0000 ( 5995 PWs) bands (ev): -20.1906 -20.1906 -20.1885 -20.1885 -8.0894 -8.0892 -8.0225 -8.0177 -6.8516 -6.8141 -6.7549 -6.7335 -5.8641 -5.8540 -5.6375 -5.5575 -4.8999 -4.8992 -4.7268 -4.7101 -4.6508 -4.6449 -4.6346 -4.5762 -3.3347 -3.3262 -3.3211 -3.3170 2.0282 2.0299 2.2976 2.3024 3.0094 3.0156 3.6011 3.6071 3.6772 3.7099 4.1090 4.1157 4.7049 4.7593 5.0568 5.1139 5.2247 5.2435 5.5099 5.5267 5.9394 5.9955 6.0394 6.0585 6.2129 6.2223 6.4469 6.4628 8.2012 8.2338 8.3902 8.3974 8.9406 8.9924 9.0113 9.0476 10.2085 10.2096 10.4546 10.4793 k = 0.3065 0.3065-0.0000 ( 6011 PWs) bands (ev): -20.1908 -20.1908 -20.1883 -20.1883 -8.0880 -8.0878 -8.0088 -8.0037 -6.8705 -6.8321 -6.7606 -6.7378 -5.8912 -5.8815 -5.6301 -5.5481 -4.9020 -4.9014 -4.7278 -4.7070 -4.6362 -4.6197 -4.5993 -4.5530 -3.3482 -3.3395 -3.3313 -3.3273 2.0351 2.0370 2.3448 2.3480 2.9614 2.9644 3.5956 3.6010 3.6712 3.7074 4.1262 4.1301 4.6339 4.6901 5.0485 5.1059 5.2424 5.2621 5.5275 5.5472 5.9530 6.0075 6.0290 6.0611 6.2354 6.2437 6.4966 6.5054 8.2013 8.2301 8.4148 8.4254 8.9306 8.9870 9.0321 9.0630 10.1534 10.1550 10.4420 10.4678 k = 0.2903 0.2903-0.0000 ( 6017 PWs) bands (ev): -20.1910 -20.1910 -20.1881 -20.1881 -8.0866 -8.0864 -7.9942 -7.9888 -6.8896 -6.8509 -6.7664 -6.7423 -5.9184 -5.9091 -5.6224 -5.5394 -4.9040 -4.9034 -4.7288 -4.7054 -4.6208 -4.5949 -4.5633 -4.5272 -3.3624 -3.3534 -3.3417 -3.3378 2.0424 2.0444 2.3897 2.3903 2.9196 2.9210 3.5899 3.5945 3.6647 3.7044 4.1395 4.1405 4.5646 4.6230 5.0401 5.0973 5.2618 5.2827 5.5461 5.5691 5.9626 6.0141 6.0192 6.0623 6.2650 6.2706 6.5447 6.5477 8.2013 8.2260 8.4424 8.4569 8.9120 8.9705 9.0535 9.0812 10.0986 10.1010 10.4314 10.4581 k = 0.2742 0.2742-0.0000 ( 6011 PWs) bands (ev): -20.1912 -20.1912 -20.1879 -20.1879 -8.0852 -8.0850 -7.9787 -7.9731 -6.9089 -6.8703 -6.7722 -6.7470 -5.9454 -5.9367 -5.6147 -5.5314 -4.9058 -4.9054 -4.7296 -4.7046 -4.6045 -4.5714 -4.5271 -4.4990 -3.3772 -3.3680 -3.3522 -3.3484 2.0500 2.0522 2.4256 2.4289 2.8848 2.8917 3.5841 3.5877 3.6574 3.7009 4.1468 4.1489 4.4972 4.5586 5.0315 5.0879 5.2830 5.3053 5.5656 5.5922 5.9672 6.0118 6.0163 6.0630 6.3003 6.3025 6.5888 6.5906 8.2008 8.2213 8.4727 8.4919 8.8850 8.9446 9.0751 9.1004 10.0452 10.0486 10.4230 10.4503 k = 0.2581 0.2581-0.0000 ( 6007 PWs) bands (ev): -20.1914 -20.1914 -20.1877 -20.1877 -8.0838 -8.0836 -7.9625 -7.9568 -6.9282 -6.8901 -6.7779 -6.7520 -5.9721 -5.9641 -5.6069 -5.5243 -4.9075 -4.9071 -4.7303 -4.7043 -4.5875 -4.5494 -4.4910 -4.4690 -3.3924 -3.3831 -3.3626 -3.3590 2.0579 2.0603 2.4491 2.4571 2.8647 2.8779 3.5783 3.5808 3.6495 3.6970 4.1493 4.1546 4.4323 4.4972 5.0228 5.0780 5.3060 5.3298 5.5858 5.6163 5.9653 6.0089 6.0154 6.0636 6.3388 6.3399 6.6283 6.6340 8.1993 8.2157 8.5050 8.5302 8.8501 8.9113 9.0965 9.1198 9.9937 9.9982 10.4166 10.4445 k = 0.2419 0.2419-0.0000 ( 6007 PWs) bands (ev): -20.1916 -20.1916 -20.1875 -20.1875 -8.0824 -8.0822 -7.9457 -7.9398 -6.9474 -6.9101 -6.7835 -6.7570 -5.9983 -5.9910 -5.5992 -5.5181 -4.9089 -4.9086 -4.7308 -4.7042 -4.5700 -4.5287 -4.4553 -4.4381 -3.4078 -3.3986 -3.3729 -3.3696 2.0661 2.0685 2.4570 2.4696 2.8640 2.8831 3.5725 3.5736 3.6408 3.6925 4.1481 4.1564 4.3704 4.4394 5.0139 5.0675 5.3306 5.3561 5.6064 5.6415 5.9578 6.0101 6.0127 6.0641 6.3784 6.3824 6.6657 6.6746 8.1965 8.2091 8.5374 8.5714 8.8082 8.8733 9.1177 9.1390 9.9446 9.9504 10.4125 10.4408 k = 0.2258 0.2258-0.0000 ( 6001 PWs) bands (ev): -20.1918 -20.1918 -20.1873 -20.1873 -8.0810 -8.0808 -7.9284 -7.9225 -6.9664 -6.9302 -6.7889 -6.7621 -6.0238 -6.0174 -5.5916 -5.5128 -4.9100 -4.9099 -4.7312 -4.7044 -4.5521 -4.5091 -4.4203 -4.4067 -3.4235 -3.4143 -3.3830 -3.3799 2.0744 2.0769 2.4493 2.4649 2.8838 2.9069 3.5665 3.5669 3.6313 3.6875 4.1433 4.1544 4.3121 4.3857 5.0050 5.0567 5.3571 5.3843 5.6272 5.6674 5.9474 6.0090 6.0130 6.0646 6.4206 6.4268 6.7007 6.7122 8.1924 8.2013 8.5660 8.6140 8.7612 8.8356 9.1385 9.1579 9.8985 9.9053 10.4104 10.4389 k = 0.2097 0.2097-0.0000 ( 5999 PWs) bands (ev): -20.1920 -20.1920 -20.1872 -20.1872 -8.0797 -8.0795 -7.9107 -7.9048 -6.9850 -6.9503 -6.7940 -6.7672 -6.0486 -6.0430 -5.5842 -5.5084 -4.9109 -4.9108 -4.7314 -4.7047 -4.5340 -4.4905 -4.3863 -4.3756 -3.4391 -3.4302 -3.3929 -3.3900 2.0828 2.0853 2.4299 2.4464 2.9202 2.9451 3.5595 3.5615 3.6211 3.6820 4.1347 4.1487 4.2581 4.3366 4.9961 5.0456 5.3852 5.4142 5.6479 5.6938 5.9359 6.0050 6.0163 6.0649 6.4645 6.4724 6.7330 6.7465 8.1868 8.1922 8.5820 8.6494 8.7189 8.8081 9.1590 9.1764 9.8554 9.8631 10.4102 10.4388 k = 0.1935 0.1935-0.0000 ( 6013 PWs) bands (ev): -20.1922 -20.1922 -20.1870 -20.1870 -8.0784 -8.0782 -7.8929 -7.8870 -7.0032 -6.9701 -6.7989 -6.7723 -6.0723 -6.0676 -5.5771 -5.5049 -4.9115 -4.9115 -4.7313 -4.7052 -4.5160 -4.4730 -4.3533 -4.3450 -3.4547 -3.4460 -3.4023 -3.3997 2.0911 2.0936 2.4034 2.4196 2.9676 2.9925 3.5527 3.5564 3.6102 3.6761 4.1220 4.1390 4.2096 4.2925 4.9873 5.0344 5.4150 5.4458 5.6682 5.7205 5.9241 6.0013 6.0191 6.0647 6.5095 6.5183 6.7625 6.7775 8.1797 8.1817 8.5724 8.6285 8.7312 8.8046 9.1792 9.1946 9.8155 9.8237 10.4116 10.4400 k = 0.1774 0.1774-0.0000 ( 6023 PWs) bands (ev): -20.1924 -20.1924 -20.1868 -20.1868 -8.0772 -8.0770 -7.8750 -7.8692 -7.0207 -6.9896 -6.8034 -6.7774 -6.0950 -6.0910 -5.5702 -5.5023 -4.9119 -4.9119 -4.7311 -4.7058 -4.4983 -4.4566 -4.3217 -4.3153 -3.4699 -3.4617 -3.4114 -3.4090 2.0992 2.1017 2.3735 2.3889 3.0211 3.0448 3.5463 3.5517 3.5988 3.6699 4.1039 4.1256 4.1686 4.2537 4.9787 5.0231 5.4463 5.4789 5.6877 5.7472 5.9124 5.9982 6.0210 6.0638 6.5550 6.5639 6.7891 6.8051 8.1700 8.1712 8.5357 8.5719 8.7784 8.8277 9.1991 9.2126 9.7786 9.7869 10.4145 10.4424 k = 0.1613 0.1613-0.0000 ( 6027 PWs) bands (ev): -20.1926 -20.1926 -20.1866 -20.1866 -8.0761 -8.0759 -7.8572 -7.8517 -7.0376 -7.0086 -6.8075 -6.7824 -6.1163 -6.1132 -5.5636 -5.5004 -4.9120 -4.9120 -4.7308 -4.7065 -4.4811 -4.4413 -4.2918 -4.2870 -3.4847 -3.4769 -3.4200 -3.4179 2.1070 2.1094 2.3429 2.3571 3.0774 3.0989 3.5404 3.5473 3.5870 3.6639 4.0791 4.1088 4.1368 4.2201 4.9705 5.0121 5.4791 5.5134 5.7061 5.7735 5.9011 5.9959 6.0217 6.0620 6.6001 6.6087 6.8129 6.8294 8.1571 8.1614 8.4830 8.5097 8.8314 8.8674 9.2187 9.2305 9.7445 9.7523 10.4185 10.4456 k = 0.1452 0.1452-0.0000 ( 6021 PWs) bands (ev): -20.1928 -20.1928 -20.1865 -20.1865 -8.0750 -8.0748 -7.8399 -7.8346 -7.0535 -7.0269 -6.8111 -6.7873 -6.1363 -6.1338 -5.5574 -5.4993 -4.9120 -4.9120 -4.7302 -4.7073 -4.4645 -4.4272 -4.2636 -4.2601 -3.4988 -3.4917 -3.4280 -3.4262 2.1143 2.1165 2.3131 2.3262 3.1340 3.1521 3.5353 3.5432 3.5753 3.6585 4.0498 4.0898 4.1128 4.1907 4.9627 5.0012 5.5132 5.5492 5.7232 5.7989 5.8903 5.9943 6.0209 6.0589 6.6443 6.6520 6.8341 6.8505 8.1431 8.1505 8.4234 8.4467 8.8866 8.9155 9.2379 9.2482 9.7128 9.7196 10.4232 10.4492 k = 0.1290 0.1290-0.0000 ( 6015 PWs) bands (ev): -20.1929 -20.1929 -20.1863 -20.1863 -8.0741 -8.0739 -7.8231 -7.8182 -7.0684 -7.0443 -6.8143 -6.7920 -6.1546 -6.1528 -5.5514 -5.4988 -4.9118 -4.9117 -4.7294 -4.7082 -4.4489 -4.4145 -4.2375 -4.2351 -3.5122 -3.5057 -3.4354 -3.4338 2.1209 2.1228 2.2854 2.2973 3.1891 3.2025 3.5311 3.5391 3.5643 3.6548 4.0204 4.0701 4.0926 4.1642 4.9556 4.9908 5.5483 5.5858 5.7387 5.8230 5.8802 5.9933 6.0185 6.0544 6.6866 6.6931 6.8529 6.8687 8.1283 8.1387 8.3623 8.3849 8.9429 8.9676 9.2567 9.2658 9.6831 9.6884 10.4285 10.4529 k = 0.1129 0.1129-0.0000 ( 6007 PWs) bands (ev): -20.1931 -20.1931 -20.1862 -20.1862 -8.0732 -8.0731 -7.8073 -7.8028 -7.0821 -7.0606 -6.8169 -6.7965 -6.1712 -6.1699 -5.5457 -5.4990 -4.9114 -4.9114 -4.7285 -4.7092 -4.4343 -4.4034 -4.2137 -4.2122 -3.5246 -3.5187 -3.4421 -3.4408 2.1264 2.1280 2.2606 2.2713 3.2409 3.2483 3.5276 3.5346 3.5553 3.6536 3.9937 4.0511 4.0741 4.1392 4.9492 4.9809 5.5842 5.6231 5.7525 5.8446 5.8709 5.9925 6.0146 6.0484 6.7262 6.7310 6.8698 6.8844 8.1127 8.1259 8.3029 8.3262 8.9993 9.0213 9.2749 9.2831 9.6548 9.6580 10.4340 10.4564 k = 0.0968 0.0968-0.0000 ( 6011 PWs) bands (ev): -20.1932 -20.1932 -20.1861 -20.1861 -8.0725 -8.0723 -7.7926 -7.7886 -7.0943 -7.0757 -6.8190 -6.8008 -6.1859 -6.1851 -5.5403 -5.4998 -4.9110 -4.9109 -4.7273 -4.7103 -4.4209 -4.3938 -4.1925 -4.1915 -3.5358 -3.5307 -3.4482 -3.4470 2.1304 2.1317 2.2396 2.2490 3.2874 3.2881 3.5235 3.5296 3.5511 3.6557 3.9709 4.0338 4.0566 4.1146 4.9438 4.9716 5.6206 5.6606 5.7645 5.8583 5.8674 5.9908 6.0097 6.0413 6.7620 6.7647 6.8854 6.8982 8.0965 8.1121 8.2482 8.2725 9.0550 9.0748 9.2924 9.3003 9.6272 9.6280 10.4393 10.4594 k = 0.0806 0.0806-0.0000 ( 6013 PWs) bands (ev): -20.1933 -20.1933 -20.1860 -20.1860 -8.0719 -8.0717 -7.7794 -7.7760 -7.1050 -7.0893 -6.8205 -6.8048 -6.1986 -6.1982 -5.5352 -5.5012 -4.9106 -4.9105 -4.7261 -4.7115 -4.4089 -4.3859 -4.1740 -4.1735 -3.5457 -3.5414 -3.4534 -3.4525 2.1327 2.1336 2.2229 2.2310 3.3208 3.3264 3.5178 3.5238 3.5545 3.6609 3.9528 4.0190 4.0402 4.0897 4.9394 4.9631 5.6569 5.6977 5.7749 5.8524 5.8796 5.9866 6.0047 6.0341 6.7926 6.7934 6.9004 6.9108 8.0796 8.0966 8.2010 8.2255 9.1089 9.1266 9.3090 9.3172 9.5979 9.5999 10.4443 10.4616 k = 0.0645 0.0645-0.0000 ( 6011 PWs) bands (ev): -20.1934 -20.1934 -20.1859 -20.1859 -8.0713 -8.0712 -7.7680 -7.7652 -7.1138 -7.1012 -6.8214 -6.8085 -6.2093 -6.2090 -5.5304 -5.5030 -4.9102 -4.9100 -4.7247 -4.7128 -4.3985 -4.3797 -4.1585 -4.1583 -3.5540 -3.5505 -3.4577 -3.4570 2.1328 2.1335 2.2110 2.2175 3.3464 3.3562 3.5114 3.5176 3.5661 3.6675 3.9403 4.0070 4.0255 4.0643 4.9361 4.9555 5.6926 5.7335 5.7838 5.8453 5.8877 5.9779 6.0011 6.0281 6.8160 6.8171 6.9150 6.9228 8.0622 8.0784 8.1645 8.1870 9.1596 9.1745 9.3251 9.3344 9.5672 9.5723 10.4487 10.4630 k = 0.0484 0.0484-0.0000 ( 6017 PWs) bands (ev): -20.1935 -20.1935 -20.1858 -20.1858 -8.0709 -8.0708 -7.7587 -7.7565 -7.1206 -7.1110 -6.8217 -6.8118 -6.2176 -6.2176 -5.5259 -5.5052 -4.9098 -4.9097 -4.7233 -4.7142 -4.3896 -4.3754 -4.1462 -4.1462 -3.5605 -3.5579 -3.4612 -3.4606 2.1312 2.1318 2.2036 2.2085 3.3654 3.3762 3.5058 3.5115 3.5844 3.6724 3.9346 3.9979 4.0128 4.0387 4.9340 4.9488 5.7272 5.7664 5.7915 5.8392 5.8889 5.9638 6.0005 6.0238 6.8326 6.8347 6.9287 6.9341 8.0453 8.0580 8.1401 8.1578 9.2048 9.2160 9.3414 9.3527 9.5360 9.5440 10.4525 10.4634 k = 0.0323 0.0323-0.0000 ( 6017 PWs) bands (ev): -20.1935 -20.1935 -20.1858 -20.1858 -8.0706 -8.0705 -7.7517 -7.7502 -7.1251 -7.1187 -6.8214 -6.8147 -6.2237 -6.2237 -5.5217 -5.5078 -4.9095 -4.9094 -4.7218 -4.7156 -4.3826 -4.3730 -4.1373 -4.1373 -3.5652 -3.5635 -3.4636 -3.4633 2.1288 2.1293 2.1998 2.2030 3.3787 3.3874 3.5019 3.5062 3.6068 3.6722 3.9370 3.9915 4.0028 4.0137 4.9333 4.9433 5.7596 5.7929 5.7983 5.8344 5.8853 5.9451 6.0031 6.0203 6.8437 6.8458 6.9404 6.9436 8.0308 8.0388 8.1262 8.1377 9.2410 9.2478 9.3597 9.3729 9.5051 9.5153 10.4556 10.4630 k = 0.0161 0.0161-0.0000 ( 6015 PWs) bands (ev): -20.1936 -20.1936 -20.1858 -20.1858 -8.0704 -8.0704 -7.7473 -7.7465 -7.1273 -7.1241 -6.8205 -6.8171 -6.2274 -6.2274 -5.5178 -5.5108 -4.9093 -4.9092 -4.7202 -4.7171 -4.3773 -4.3725 -4.1319 -4.1319 -3.5680 -3.5671 -3.4651 -3.4649 2.1269 2.1272 2.1983 2.1999 3.3873 3.3921 3.4999 3.5023 3.6298 3.6648 3.9473 3.9830 3.9950 3.9959 4.9338 4.9389 5.7886 5.8043 5.8060 5.8289 5.8867 5.9234 6.0076 6.0167 6.8503 6.8515 6.9484 6.9499 8.0213 8.0250 8.1199 8.1255 9.2642 9.2670 9.3809 9.3927 9.4782 9.4879 10.4582 10.4619 k = 0.0000 0.0000 0.0000 ( 6015 PWs) bands (ev): -20.1936 -20.1936 -20.1857 -20.1857 -8.0703 -8.0703 -7.7455 -7.7455 -7.1269 -7.1269 -6.8191 -6.8191 -6.2286 -6.2286 -5.5141 -5.5141 -4.9092 -4.9092 -4.7186 -4.7186 -4.3740 -4.3740 -4.1301 -4.1301 -3.5686 -3.5686 -3.4655 -3.4655 2.1263 2.1263 2.1985 2.1985 3.3917 3.3917 3.5001 3.5001 3.6500 3.6500 3.9642 3.9642 3.9925 3.9925 4.9357 4.9357 5.8058 5.8058 5.8150 5.8150 5.9017 5.9017 6.0124 6.0124 6.8528 6.8528 6.9517 6.9517 8.0190 8.0190 8.1198 8.1198 9.2727 9.2727 9.3979 9.3979 9.4699 9.4699 10.4603 10.4603 k = 0.0000 0.0000 0.0000 ( 6015 PWs) bands (ev): -20.1936 -20.1936 -20.1857 -20.1857 -8.0703 -8.0703 -7.7455 -7.7455 -7.1269 -7.1269 -6.8191 -6.8191 -6.2286 -6.2286 -5.5141 -5.5141 -4.9092 -4.9092 -4.7186 -4.7186 -4.3740 -4.3740 -4.1301 -4.1301 -3.5686 -3.5686 -3.4655 -3.4655 2.1263 2.1263 2.1985 2.1985 3.3917 3.3917 3.5001 3.5001 3.6500 3.6500 3.9642 3.9642 3.9925 3.9925 4.9357 4.9357 5.8058 5.8058 5.8150 5.8150 5.9017 5.9017 6.0124 6.0124 6.8528 6.8528 6.9517 6.9517 8.0190 8.0190 8.1198 8.1198 9.2727 9.2727 9.3979 9.3979 9.4699 9.4699 10.4603 10.4603 k = 0.0000 0.0000 0.0232 ( 6023 PWs) bands (ev): -20.1935 -20.1935 -20.1857 -20.1857 -8.0701 -8.0701 -7.7451 -7.7451 -7.1266 -7.1266 -6.8191 -6.8191 -6.2278 -6.2278 -5.5145 -5.5145 -4.9090 -4.9090 -4.7197 -4.7197 -4.3750 -4.3750 -4.1309 -4.1309 -3.5690 -3.5690 -3.4651 -3.4651 2.1257 2.1257 2.1978 2.1978 3.3856 3.3856 3.5019 3.5019 3.6476 3.6476 3.9628 3.9628 3.9918 3.9918 4.9428 4.9428 5.8044 5.8044 5.8151 5.8151 5.9013 5.9013 6.0128 6.0128 6.8513 6.8513 6.9503 6.9503 8.0175 8.0175 8.1211 8.1211 9.2740 9.2740 9.3992 9.3992 9.4714 9.4714 10.4626 10.4626 k = 0.0000 0.0000 0.0463 ( 6023 PWs) bands (ev): -20.1934 -20.1934 -20.1856 -20.1856 -8.0694 -8.0694 -7.7439 -7.7439 -7.1255 -7.1255 -6.8192 -6.8192 -6.2255 -6.2255 -5.5155 -5.5155 -4.9084 -4.9084 -4.7229 -4.7229 -4.3779 -4.3779 -4.1335 -4.1335 -3.5702 -3.5702 -3.4638 -3.4638 2.1242 2.1242 2.1958 2.1958 3.3674 3.3674 3.5069 3.5069 3.6409 3.6409 3.9589 3.9589 3.9896 3.9896 4.9637 4.9637 5.8003 5.8003 5.8150 5.8150 5.9000 5.9000 6.0139 6.0139 6.8465 6.8465 6.9461 6.9461 8.0128 8.0128 8.1250 8.1250 9.2779 9.2779 9.4031 9.4031 9.4760 9.4760 10.4697 10.4697 k = 0.0000 0.0000 0.0695 ( 6015 PWs) bands (ev): -20.1931 -20.1931 -20.1853 -20.1853 -8.0681 -8.0681 -7.7419 -7.7419 -7.1237 -7.1237 -6.8193 -6.8193 -6.2216 -6.2216 -5.5171 -5.5171 -4.9075 -4.9075 -4.7282 -4.7282 -4.3829 -4.3829 -4.1377 -4.1377 -3.5723 -3.5723 -3.4617 -3.4617 2.1217 2.1217 2.1924 2.1924 3.3382 3.3382 3.5144 3.5144 3.6312 3.6312 3.9528 3.9528 3.9859 3.9859 4.9967 4.9967 5.7939 5.7939 5.8142 5.8142 5.8976 5.8976 6.0159 6.0159 6.8387 6.8387 6.9392 6.9392 8.0052 8.0052 8.1320 8.1320 9.2845 9.2845 9.4096 9.4096 9.4842 9.4842 10.4815 10.4815 k = 0.0000 0.0000 0.0926 ( 6015 PWs) bands (ev): -20.1927 -20.1927 -20.1850 -20.1850 -8.0665 -8.0665 -7.7392 -7.7392 -7.1213 -7.1213 -6.8194 -6.8194 -6.2161 -6.2161 -5.5194 -5.5194 -4.9061 -4.9061 -4.7354 -4.7354 -4.3898 -4.3898 -4.1437 -4.1437 -3.5750 -3.5750 -3.4590 -3.4590 2.1182 2.1182 2.1877 2.1877 3.2992 3.2992 3.5226 3.5226 3.6210 3.6210 3.9448 3.9448 3.9804 3.9804 5.0396 5.0396 5.7853 5.7853 5.8127 5.8127 5.8937 5.8937 6.0187 6.0187 6.8280 6.8280 6.9297 6.9297 7.9950 7.9950 8.1422 8.1422 9.2938 9.2938 9.4186 9.4186 9.4964 9.4964 10.4980 10.4980 k = 0.0000 0.0000 0.1158 ( 6019 PWs) bands (ev): -20.1923 -20.1923 -20.1845 -20.1845 -8.0643 -8.0643 -7.7356 -7.7356 -7.1181 -7.1181 -6.8196 -6.8196 -6.2091 -6.2091 -5.5223 -5.5223 -4.9044 -4.9044 -4.7445 -4.7445 -4.3986 -4.3986 -4.1513 -4.1513 -3.5785 -3.5785 -3.4558 -3.4558 2.1137 2.1137 2.1817 2.1817 3.2518 3.2518 3.5277 3.5277 3.6148 3.6148 3.9353 3.9353 3.9733 3.9733 5.0899 5.0899 5.7745 5.7745 5.8103 5.8103 5.8881 5.8881 6.0224 6.0224 6.8147 6.8147 6.9178 6.9178 7.9826 7.9826 8.1561 8.1561 9.3056 9.3056 9.4300 9.4300 9.5134 9.5134 10.5189 10.5189 k = 0.0000 0.0000 0.1389 ( 6027 PWs) bands (ev): -20.1917 -20.1917 -20.1840 -20.1840 -8.0617 -8.0617 -7.7314 -7.7314 -7.1144 -7.1144 -6.8198 -6.8198 -6.2005 -6.2005 -5.5257 -5.5257 -4.9024 -4.9024 -4.7553 -4.7553 -4.4092 -4.4092 -4.1605 -4.1605 -3.5826 -3.5826 -3.4522 -3.4522 2.1082 2.1082 2.1745 2.1745 3.1978 3.1978 3.5245 3.5245 3.6184 3.6184 3.9246 3.9246 3.9647 3.9647 5.1451 5.1451 5.7615 5.7615 5.8069 5.8069 5.8802 5.8802 6.0271 6.0271 6.7989 6.7989 6.9039 6.9039 7.9687 7.9687 8.1740 8.1740 9.3199 9.3199 9.4436 9.4436 9.5357 9.5357 10.5442 10.5442 k = 0.0000 0.0000 0.1621 ( 6027 PWs) bands (ev): -20.1910 -20.1910 -20.1834 -20.1834 -8.0587 -8.0587 -7.7264 -7.7264 -7.1100 -7.1100 -6.8201 -6.8201 -6.1905 -6.1905 -5.5295 -5.5295 -4.9000 -4.9000 -4.7677 -4.7677 -4.4215 -4.4215 -4.1715 -4.1715 -3.5874 -3.5874 -3.4485 -3.4485 2.1019 2.1019 2.1660 2.1660 3.1388 3.1388 3.5119 3.5119 3.6333 3.6333 3.9129 3.9129 3.9547 3.9547 5.2025 5.2025 5.7463 5.7463 5.8024 5.8024 5.8696 5.8696 6.0329 6.0329 6.7810 6.7810 6.8880 6.8880 7.9545 7.9545 8.1959 8.1959 9.3367 9.3367 9.4594 9.4594 9.5641 9.5641 10.5737 10.5737 k = 0.0000 0.0000 0.1852 ( 6011 PWs) bands (ev): -20.1903 -20.1903 -20.1827 -20.1827 -8.0554 -8.0554 -7.7207 -7.7207 -7.1050 -7.1050 -6.8204 -6.8204 -6.1789 -6.1789 -5.5338 -5.5338 -4.8973 -4.8973 -4.7815 -4.7815 -4.4355 -4.4355 -4.1840 -4.1840 -3.5927 -3.5927 -3.4447 -3.4447 2.0946 2.0946 2.1564 2.1564 3.0764 3.0764 3.4931 3.4931 3.6565 3.6565 3.9004 3.9004 3.9434 3.9434 5.2598 5.2598 5.7291 5.7291 5.7965 5.7965 5.8563 5.8563 6.0399 6.0399 6.7615 6.7615 6.8706 6.8706 7.9409 7.9409 8.2221 8.2221 9.3557 9.3557 9.4771 9.4771 9.5990 9.5990 10.6071 10.6071 k = 0.0000 0.0000 0.2084 ( 6000 PWs) bands (ev): -20.1895 -20.1895 -20.1819 -20.1819 -8.0516 -8.0516 -7.7144 -7.7144 -7.0995 -7.0995 -6.8206 -6.8206 -6.1659 -6.1659 -5.5383 -5.5383 -4.8943 -4.8943 -4.7964 -4.7964 -4.4512 -4.4512 -4.1981 -4.1981 -3.5985 -3.5985 -3.4411 -3.4411 2.0866 2.0866 2.1456 2.1456 3.0118 3.0118 3.4712 3.4712 3.6849 3.6849 3.8876 3.8876 3.9312 3.9312 5.3147 5.3147 5.7099 5.7099 5.7890 5.7890 5.8401 5.8401 6.0481 6.0481 6.7405 6.7405 6.8520 6.8520 7.9291 7.9291 8.2527 8.2527 9.3768 9.3768 9.4965 9.4965 9.6409 9.6409 10.6439 10.6439 k = 0.0000 0.0000 0.2315 ( 6000 PWs) bands (ev): -20.1886 -20.1886 -20.1811 -20.1811 -8.0476 -8.0476 -7.7074 -7.7074 -7.0935 -7.0935 -6.8209 -6.8209 -6.1514 -6.1514 -5.5431 -5.5431 -4.8911 -4.8911 -4.8124 -4.8124 -4.4683 -4.4683 -4.2139 -4.2139 -3.6049 -3.6049 -3.4378 -3.4378 2.0777 2.0777 2.1338 2.1338 2.9462 2.9462 3.4478 3.4478 3.7165 3.7165 3.8750 3.8750 3.9182 3.9182 5.3647 5.3647 5.6893 5.6893 5.7795 5.7795 5.8215 5.8215 6.0575 6.0575 6.7186 6.7186 6.8324 6.8324 7.9205 7.9205 8.2875 8.2875 9.3997 9.3997 9.5175 9.5175 9.6898 9.6898 10.6833 10.6833 k = 0.0000 0.0000 0.2547 ( 6020 PWs) bands (ev): -20.1876 -20.1876 -20.1801 -20.1801 -8.0433 -8.0433 -7.6998 -7.6998 -7.0870 -7.0870 -6.8212 -6.8212 -6.1355 -6.1355 -5.5481 -5.5481 -4.8876 -4.8876 -4.8292 -4.8292 -4.4869 -4.4869 -4.2311 -4.2311 -3.6118 -3.6118 -3.4349 -3.4349 2.0682 2.0682 2.1211 2.1211 2.8804 2.8804 3.4239 3.4239 3.7493 3.7493 3.8644 3.8644 3.9046 3.9046 5.4071 5.4071 5.6678 5.6678 5.7674 5.7674 5.8016 5.8016 6.0683 6.0683 6.6961 6.6961 6.8121 6.8121 7.9163 7.9163 8.3265 8.3265 9.4240 9.4240 9.5397 9.5397 9.7461 9.7461 10.7235 10.7235 k = 0.0000 0.0000 0.2778 ( 6008 PWs) bands (ev): -20.1865 -20.1865 -20.1792 -20.1792 -8.0387 -8.0387 -7.6917 -7.6917 -7.0802 -7.0802 -6.8214 -6.8214 -6.1182 -6.1182 -5.5530 -5.5530 -4.8838 -4.8838 -4.8466 -4.8466 -4.5067 -4.5067 -4.2499 -4.2499 -3.6191 -3.6191 -3.4325 -3.4325 2.0580 2.0580 2.1075 2.1075 2.8152 2.8152 3.4002 3.4002 3.7779 3.7779 3.8603 3.8603 3.8908 3.8908 5.4390 5.4390 5.6469 5.6469 5.7512 5.7512 5.7822 5.7822 6.0803 6.0803 6.6732 6.6732 6.7914 6.7914 7.9178 7.9178 8.3693 8.3693 9.4496 9.4496 9.5630 9.5630 9.8097 9.8097 10.7602 10.7602 k = 0.0000 0.0000 0.3010 ( 6020 PWs) bands (ev): -20.1854 -20.1854 -20.1781 -20.1781 -8.0339 -8.0339 -7.6832 -7.6832 -7.0730 -7.0730 -6.8216 -6.8216 -6.0996 -6.0996 -5.5578 -5.5578 -4.8799 -4.8799 -4.8645 -4.8645 -4.5278 -4.5278 -4.2701 -4.2701 -3.6270 -3.6270 -3.4308 -3.4308 2.0472 2.0472 2.0931 2.0931 2.7511 2.7511 3.3771 3.3771 3.7910 3.7910 3.8708 3.8708 3.8798 3.8798 5.4564 5.4564 5.6290 5.6290 5.7300 5.7300 5.7650 5.7650 6.0936 6.0936 6.6502 6.6502 6.7705 6.7705 7.9260 7.9260 8.4154 8.4154 9.4762 9.4762 9.5872 9.5872 9.8805 9.8805 10.7886 10.7886 k = 0.0000 0.0000 0.3241 ( 6020 PWs) bands (ev): -20.1843 -20.1843 -20.1771 -20.1771 -8.0290 -8.0290 -7.6741 -7.6741 -7.0656 -7.0656 -6.8217 -6.8217 -6.0797 -6.0797 -5.5625 -5.5625 -4.8827 -4.8827 -4.8757 -4.8757 -4.5501 -4.5501 -4.2918 -4.2918 -3.6352 -3.6352 -3.4298 -3.4298 2.0359 2.0359 2.0780 2.0780 2.6886 2.6886 3.3550 3.3550 3.7869 3.7869 3.8611 3.8611 3.9082 3.9082 5.4562 5.4562 5.6159 5.6159 5.7049 5.7049 5.7498 5.7498 6.1080 6.1080 6.6274 6.6274 6.7497 6.7497 7.9419 7.9419 8.4645 8.4645 9.5034 9.5034 9.6120 9.6120 9.9584 9.9584 10.8105 10.8105 k = 0.0000 0.0000 0.3473 ( 6012 PWs) bands (ev): -20.1831 -20.1831 -20.1760 -20.1760 -8.0240 -8.0240 -7.6647 -7.6647 -7.0579 -7.0579 -6.8218 -6.8218 -6.0585 -6.0585 -5.5668 -5.5668 -4.9010 -4.9010 -4.8715 -4.8715 -4.5733 -4.5733 -4.3148 -4.3148 -3.6438 -3.6438 -3.4295 -3.4295 2.0242 2.0242 2.0625 2.0625 2.6281 2.6281 3.3344 3.3344 3.7755 3.7755 3.8471 3.8471 3.9501 3.9501 5.4391 5.4391 5.6068 5.6068 5.6779 5.6779 5.7354 5.7354 6.1235 6.1235 6.6050 6.6050 6.7291 6.7291 7.9661 7.9661 8.5160 8.5160 9.5311 9.5311 9.6373 9.6373 10.0433 10.0433 10.8295 10.8295 k = 0.0000 0.0000 0.3704 ( 6016 PWs) bands (ev): -20.1819 -20.1819 -20.1748 -20.1748 -8.0189 -8.0189 -7.6550 -7.6550 -7.0502 -7.0502 -6.8218 -6.8218 -6.0361 -6.0361 -5.5708 -5.5708 -4.9192 -4.9192 -4.8672 -4.8672 -4.5974 -4.5974 -4.3391 -4.3391 -3.6527 -3.6527 -3.4300 -3.4300 2.0121 2.0121 2.0464 2.0464 2.5700 2.5700 3.3154 3.3154 3.7617 3.7617 3.8331 3.8331 3.9962 3.9962 5.4092 5.4092 5.5976 5.5976 5.6504 5.6504 5.7206 5.7206 6.1400 6.1400 6.5829 6.5829 6.7088 6.7088 7.9987 7.9987 8.5693 8.5693 9.5590 9.5590 9.6630 9.6630 10.1349 10.1349 10.8468 10.8468 k = 0.0000 0.0000 0.3936 ( 5992 PWs) bands (ev): -20.1806 -20.1806 -20.1737 -20.1737 -8.0138 -8.0138 -7.6450 -7.6450 -7.0423 -7.0423 -6.8217 -6.8217 -6.0126 -6.0126 -5.5742 -5.5742 -4.9372 -4.9372 -4.8628 -4.8628 -4.6223 -4.6223 -4.3646 -4.3646 -3.6620 -3.6620 -3.4313 -3.4313 1.9999 1.9999 2.0301 2.0301 2.5143 2.5143 3.2982 3.2982 3.7470 3.7470 3.8194 3.8194 4.0444 4.0444 5.3711 5.3711 5.5850 5.5850 5.6233 5.6233 5.7049 5.7049 6.1574 6.1574 6.5614 6.5614 6.6891 6.6891 8.0397 8.0397 8.6238 8.6238 9.5871 9.5871 9.6889 9.6889 10.2327 10.2327 10.8625 10.8625 k = 0.0000 0.0000 0.4167 ( 6000 PWs) bands (ev): -20.1794 -20.1794 -20.1725 -20.1725 -8.0087 -8.0087 -7.6349 -7.6349 -7.0345 -7.0345 -6.8215 -6.8215 -5.9880 -5.9880 -5.5769 -5.5769 -4.9549 -4.9549 -4.8584 -4.8584 -4.6479 -4.6479 -4.3912 -4.3912 -3.6715 -3.6715 -3.4334 -3.4334 1.9875 1.9875 2.0136 2.0136 2.4614 2.4614 3.2830 3.2830 3.7322 3.7322 3.8061 3.8061 4.0940 4.0940 5.3277 5.3277 5.5679 5.5679 5.5968 5.5968 5.6875 5.6875 6.1755 6.1755 6.5406 6.5406 6.6699 6.6699 8.0886 8.0886 8.6789 8.6789 9.6152 9.6152 9.7151 9.7151 10.3364 10.3364 10.8763 10.8763 k = 0.0000 0.0000 0.4399 ( 6032 PWs) bands (ev): -20.1781 -20.1781 -20.1713 -20.1713 -8.0036 -8.0036 -7.6246 -7.6246 -7.0268 -7.0268 -6.8212 -6.8212 -5.9624 -5.9624 -5.5790 -5.5790 -4.9722 -4.9722 -4.8540 -4.8540 -4.6740 -4.6740 -4.4189 -4.4189 -3.6812 -3.6812 -3.4363 -3.4363 1.9750 1.9750 1.9971 1.9971 2.4113 2.4113 3.2700 3.2700 3.7173 3.7173 3.7932 3.7932 4.1443 4.1443 5.2810 5.2810 5.5469 5.5469 5.5705 5.5705 5.6681 5.6681 6.1942 6.1942 6.5204 6.5204 6.6513 6.6513 8.1447 8.1447 8.7340 8.7340 9.6433 9.6433 9.7415 9.7415 10.4454 10.4454 10.8876 10.8876 k = 0.0000 0.0000 0.4630 ( 6028 PWs) bands (ev): -20.1769 -20.1769 -20.1701 -20.1701 -7.9987 -7.9987 -7.6142 -7.6142 -7.0192 -7.0192 -6.8208 -6.8208 -5.9358 -5.9358 -5.5802 -5.5802 -4.9890 -4.9890 -4.8498 -4.8498 -4.7004 -4.7004 -4.4475 -4.4475 -3.6911 -3.6911 -3.4398 -3.4398 1.9626 1.9626 1.9806 1.9806 2.3642 2.3642 3.2591 3.2591 3.7028 3.7028 3.7809 3.7809 4.1948 4.1948 5.2322 5.2322 5.5238 5.5238 5.5430 5.5430 5.6471 5.6471 6.2132 6.2132 6.5011 6.5011 6.6334 6.6334 8.2071 8.2071 8.7888 8.7888 9.6714 9.6714 9.7681 9.7681 10.5587 10.5587 10.8960 10.8960 k = 0.0000 0.0000 0.4862 ( 6028 PWs) bands (ev): -20.1756 -20.1756 -20.1690 -20.1690 -7.9939 -7.9939 -7.6039 -7.6039 -7.0118 -7.0118 -6.8203 -6.8203 -5.9085 -5.9085 -5.5805 -5.5805 -5.0051 -5.0051 -4.8459 -4.8459 -4.7270 -4.7270 -4.4769 -4.4769 -3.7010 -3.7010 -3.4440 -3.4440 1.9502 1.9502 1.9644 1.9644 2.3201 2.3201 3.2504 3.2504 3.6886 3.6886 3.7692 3.7692 4.2452 4.2452 5.1825 5.1825 5.5001 5.5001 5.5133 5.5133 5.6249 5.6249 6.2323 6.2323 6.4828 6.4828 6.6163 6.6163 8.2749 8.2749 8.8426 8.8426 9.6994 9.6994 9.7951 9.7951 10.6750 10.6750 10.9007 10.9007 k = 0.0000 0.0000 0.5093 ( 6028 PWs) bands (ev): -20.1744 -20.1744 -20.1678 -20.1678 -7.9893 -7.9893 -7.5937 -7.5937 -7.0046 -7.0046 -6.8197 -6.8197 -5.8804 -5.8804 -5.5799 -5.5799 -5.0206 -5.0206 -4.8424 -4.8424 -4.7535 -4.7535 -4.5070 -4.5070 -3.7108 -3.7108 -3.4488 -3.4488 1.9380 1.9380 1.9487 1.9487 2.2790 2.2790 3.2438 3.2438 3.6749 3.6749 3.7581 3.7581 4.2949 4.2949 5.1325 5.1325 5.4764 5.4764 5.4811 5.4811 5.6024 5.6024 6.2513 6.2513 6.4655 6.4655 6.5998 6.5998 8.3469 8.3469 8.8952 8.8952 9.7274 9.7274 9.8223 9.8223 10.7915 10.7915 10.9014 10.9014 k = 0.0000 0.0000 0.5325 ( 6028 PWs) bands (ev): -20.1732 -20.1732 -20.1667 -20.1667 -7.9849 -7.9849 -7.5837 -7.5837 -6.9978 -6.9978 -6.8189 -6.8189 -5.8518 -5.8518 -5.5783 -5.5783 -5.0352 -5.0352 -4.8400 -4.8400 -4.7790 -4.7790 -4.5376 -4.5376 -3.7206 -3.7206 -3.4540 -3.4540 1.9259 1.9259 1.9337 1.9337 2.2411 2.2411 3.2392 3.2392 3.6618 3.6618 3.7477 3.7477 4.3437 4.3437 5.0830 5.0830 5.4458 5.4458 5.4540 5.4540 5.5802 5.5802 6.2699 6.2699 6.4495 6.4495 6.5842 6.5842 8.4220 8.4220 8.9462 8.9462 9.7556 9.7556 9.8500 9.8500 10.8906 10.8906 10.9103 10.9103 k = 0.0000 0.0000 0.5556 ( 6004 PWs) bands (ev): -20.1721 -20.1721 -20.1656 -20.1656 -7.9807 -7.9807 -7.5739 -7.5739 -6.9914 -6.9914 -6.8181 -6.8181 -5.8227 -5.8227 -5.5758 -5.5758 -5.0491 -5.0491 -4.8407 -4.8407 -4.8016 -4.8016 -4.5685 -4.5685 -3.7303 -3.7303 -3.4596 -3.4596 1.9136 1.9136 1.9198 1.9198 2.2061 2.2061 3.2366 3.2366 3.6493 3.6493 3.7380 3.7380 4.3912 4.3912 5.0346 5.0346 5.4087 5.4087 5.4322 5.4322 5.5590 5.5590 6.2876 6.2876 6.4351 6.4351 6.5693 6.5693 8.4993 8.4993 8.9953 8.9953 9.7838 9.7838 9.8780 9.8780 10.8866 10.8866 11.0021 11.0021 k = 0.0000 0.0000 0.5788 ( 6004 PWs) bands (ev): -20.1709 -20.1709 -20.1646 -20.1646 -7.9768 -7.9768 -7.5644 -7.5644 -6.9854 -6.9854 -6.8171 -6.8171 -5.7934 -5.7934 -5.5722 -5.5722 -5.0620 -5.0620 -4.8507 -4.8507 -4.8150 -4.8150 -4.5996 -4.5996 -3.7396 -3.7396 -3.4654 -3.4654 1.9008 1.9008 1.9076 1.9076 2.1742 2.1742 3.2358 3.2358 3.6376 3.6376 3.7290 3.7290 4.4369 4.4369 4.9879 4.9879 5.3698 5.3698 5.4117 5.4117 5.5391 5.5391 6.3039 6.3039 6.4226 6.4226 6.5552 6.5552 8.5775 8.5775 9.0424 9.0424 9.8121 9.8121 9.9064 9.9064 10.8732 10.8732 11.0646 11.0646 k = 0.0000 0.0000 0.6019 ( 6016 PWs) bands (ev): -20.1699 -20.1699 -20.1636 -20.1636 -7.9731 -7.9731 -7.5554 -7.5554 -6.9798 -6.9798 -6.8161 -6.8161 -5.7640 -5.7640 -5.5677 -5.5677 -5.0740 -5.0740 -4.8710 -4.8710 -4.8179 -4.8179 -4.6304 -4.6304 -3.7486 -3.7486 -3.4714 -3.4714 1.8879 1.8879 1.8967 1.8967 2.1452 2.1452 3.2365 3.2365 3.6266 3.6266 3.7206 3.7206 4.4805 4.4805 4.9432 4.9432 5.3302 5.3302 5.3926 5.3926 5.5205 5.5205 6.3177 6.3177 6.4129 6.4129 6.5421 6.5421 8.6556 8.6556 9.0874 9.0874 9.8404 9.8404 9.9352 9.9352 10.8555 10.8555 11.0817 11.0817 k = 0.0000 0.0000 0.6251 ( 6004 PWs) bands (ev): -20.1689 -20.1689 -20.1627 -20.1627 -7.9697 -7.9697 -7.5468 -7.5468 -6.9747 -6.9747 -6.8150 -6.8150 -5.7348 -5.7348 -5.5624 -5.5624 -5.0851 -5.0851 -4.8946 -4.8946 -4.8173 -4.8173 -4.6607 -4.6607 -3.7572 -3.7572 -3.4773 -3.4773 1.8755 1.8755 1.8870 1.8870 2.1192 2.1192 3.2386 3.2386 3.6164 3.6164 3.7130 3.7130 4.5217 4.5217 4.9011 4.9011 5.2906 5.2906 5.3750 5.3750 5.5035 5.5035 6.3279 6.3279 6.4072 6.4072 6.5298 6.5298 8.7326 8.7326 9.1302 9.1302 9.8687 9.8687 9.9642 9.9642 10.8347 10.8347 11.0656 11.0656 k = 0.0000 0.0000 0.6482 ( 6032 PWs) bands (ev): -20.1680 -20.1680 -20.1618 -20.1618 -7.9667 -7.9667 -7.5388 -7.5388 -6.9701 -6.9701 -6.8139 -6.8139 -5.7060 -5.7060 -5.5564 -5.5564 -5.0952 -5.0952 -4.9184 -4.9184 -4.8164 -4.8164 -4.6900 -4.6900 -3.7653 -3.7653 -3.4832 -3.4832 1.8640 1.8640 1.8780 1.8780 2.0959 2.0959 3.2417 3.2417 3.6072 3.6072 3.7061 3.7061 4.5601 4.5601 4.8620 4.8620 5.2518 5.2518 5.3590 5.3590 5.4881 5.4881 6.3329 6.3329 6.4068 6.4068 6.5184 6.5184 8.8070 8.8070 9.1709 9.1709 9.8968 9.8968 9.9933 9.9933 10.8118 10.8118 11.0322 11.0322 k = 0.0000 0.0000 0.6714 ( 6024 PWs) bands (ev): -20.1672 -20.1672 -20.1611 -20.1611 -7.9640 -7.9640 -7.5315 -7.5315 -6.9660 -6.9660 -6.8127 -6.8127 -5.6780 -5.6780 -5.5497 -5.5497 -5.1042 -5.1042 -4.9415 -4.9415 -4.8162 -4.8162 -4.7174 -4.7174 -3.7728 -3.7728 -3.4888 -3.4888 1.8533 1.8533 1.8699 1.8699 2.0754 2.0754 3.2456 3.2456 3.5989 3.5989 3.6999 3.6999 4.5954 4.5954 4.8261 4.8261 5.2146 5.2146 5.3446 5.3446 5.4742 5.4742 6.3329 6.3329 6.4114 6.4114 6.5081 6.5081 8.8778 8.8778 9.2096 9.2096 9.9244 9.9244 10.0222 10.0222 10.7878 10.7878 10.9907 10.9907 k = 0.0000 0.0000 0.6945 ( 6036 PWs) bands (ev): -20.1664 -20.1664 -20.1603 -20.1603 -7.9615 -7.9615 -7.5248 -7.5248 -6.9624 -6.9624 -6.8117 -6.8117 -5.6511 -5.6511 -5.5428 -5.5428 -5.1123 -5.1123 -4.9633 -4.9633 -4.8178 -4.8178 -4.7418 -4.7418 -3.7796 -3.7796 -3.4941 -3.4941 1.8438 1.8438 1.8627 1.8627 2.0576 2.0576 3.2500 3.2500 3.5915 3.5915 3.6944 3.6944 4.6274 4.6274 4.7938 4.7938 5.1798 5.1798 5.3319 5.3319 5.4620 5.4620 6.3296 6.3296 6.4191 6.4191 6.4988 6.4988 8.9433 8.9433 9.2465 9.2465 9.9511 9.9511 10.0504 10.0504 10.7639 10.7639 10.9457 10.9457 k = 0.0000 0.0000 0.7177 ( 6020 PWs) bands (ev): -20.1657 -20.1657 -20.1597 -20.1597 -7.9594 -7.9594 -7.5189 -7.5189 -6.9593 -6.9593 -6.8106 -6.8106 -5.6259 -5.6259 -5.5357 -5.5357 -5.1193 -5.1193 -4.9834 -4.9834 -4.8228 -4.8228 -4.7612 -4.7612 -3.7857 -3.7857 -3.4989 -3.4989 1.8354 1.8354 1.8564 1.8564 2.0423 2.0423 3.2546 3.2546 3.5852 3.5852 3.6897 3.6897 4.6555 4.6555 4.7654 4.7654 5.1481 5.1481 5.3209 5.3209 5.4514 5.4514 6.3248 6.3248 6.4279 6.4279 6.4906 6.4906 9.0021 9.0021 9.2817 9.2817 9.9765 9.9765 10.0776 10.0776 10.7408 10.7408 10.9005 10.9005 k = 0.0000 0.0000 0.7408 ( 6012 PWs) bands (ev): -20.1652 -20.1652 -20.1592 -20.1592 -7.9577 -7.9577 -7.5138 -7.5138 -6.9567 -6.9567 -6.8097 -6.8097 -5.6030 -5.6030 -5.5289 -5.5289 -5.1252 -5.1252 -5.0013 -5.0013 -4.8325 -4.8325 -4.7738 -4.7738 -3.7910 -3.7910 -3.5031 -3.5031 1.8281 1.8281 1.8510 1.8510 2.0296 2.0296 3.2590 3.2590 3.5798 3.5798 3.6856 3.6856 4.6795 4.6795 4.7412 4.7412 5.1200 5.1200 5.3116 5.3116 5.4425 5.4425 6.3199 6.3199 6.4366 6.4366 6.4836 6.4836 9.0529 9.0529 9.3150 9.3150 10.0000 10.0000 10.1030 10.1030 10.7193 10.7193 10.8574 10.8574 k = 0.0000 0.0000 0.7640 ( 6024 PWs) bands (ev): -20.1647 -20.1647 -20.1588 -20.1588 -7.9562 -7.9562 -7.5096 -7.5096 -6.9546 -6.9546 -6.8089 -6.8089 -5.5828 -5.5828 -5.5226 -5.5226 -5.1301 -5.1301 -5.0168 -5.0168 -4.8458 -4.8458 -4.7802 -4.7802 -3.7953 -3.7953 -3.5067 -3.5067 1.8222 1.8222 1.8465 1.8465 2.0193 2.0193 3.2631 3.2631 3.5755 3.5755 3.6823 3.6823 4.6980 4.6980 4.7227 4.7227 5.0962 5.0962 5.3040 5.3040 5.4351 5.4351 6.3154 6.3154 6.4442 6.4442 6.4778 6.4778 9.0946 9.0946 9.3458 9.3458 10.0208 10.0208 10.1258 10.1258 10.7000 10.7000 10.8189 10.8189 k = 0.0000 0.0000 0.7871 ( 6024 PWs) bands (ev): -20.1643 -20.1643 -20.1584 -20.1584 -7.9551 -7.9551 -7.5062 -7.5062 -6.9530 -6.9530 -6.8083 -6.8083 -5.5660 -5.5660 -5.5172 -5.5172 -5.1340 -5.1340 -5.0293 -5.0293 -4.8592 -4.8592 -4.7831 -4.7831 -3.7988 -3.7988 -3.5096 -3.5096 1.8175 1.8175 1.8430 1.8430 2.0113 2.0113 3.2666 3.2666 3.5721 3.5721 3.6797 3.6797 4.7002 4.7002 4.7206 4.7206 5.0771 5.0771 5.2981 5.2981 5.4294 5.4294 6.3117 6.3117 6.4505 6.4505 6.4732 6.4732 9.1267 9.1267 9.3729 9.3729 10.0382 10.0382 10.1450 10.1450 10.6835 10.6835 10.7870 10.7870 k = 0.0000 0.0000 0.8103 ( 6032 PWs) bands (ev): -20.1641 -20.1641 -20.1582 -20.1582 -7.9543 -7.9543 -7.5038 -7.5038 -6.9518 -6.9518 -6.8078 -6.8078 -5.5535 -5.5535 -5.5131 -5.5131 -5.1367 -5.1367 -5.0386 -5.0386 -4.8702 -4.8702 -4.7843 -4.7843 -3.8013 -3.8013 -3.5117 -3.5117 1.8141 1.8141 1.8405 1.8405 2.0057 2.0057 3.2692 3.2692 3.5697 3.5697 3.6779 3.6779 4.6908 4.6908 4.7301 4.7301 5.0632 5.0632 5.2939 5.2939 5.4254 5.4254 6.3089 6.3089 6.4552 6.4552 6.4698 6.4698 9.1492 9.1492 9.3942 9.3942 10.0513 10.0513 10.1597 10.1597 10.6705 10.6705 10.7633 10.7633 k = 0.0000 0.0000 0.8334 ( 6032 PWs) bands (ev): -20.1639 -20.1639 -20.1580 -20.1580 -7.9538 -7.9538 -7.5023 -7.5023 -6.9511 -6.9511 -6.8075 -6.8075 -5.5456 -5.5456 -5.5105 -5.5105 -5.1384 -5.1384 -5.0442 -5.0442 -4.8774 -4.8774 -4.7848 -4.7848 -3.8028 -3.8028 -3.5130 -3.5130 1.8121 1.8121 1.8390 1.8390 2.0023 2.0023 3.2708 3.2708 3.5683 3.5683 3.6768 3.6768 4.6843 4.6843 4.7366 4.7366 5.0547 5.0547 5.2913 5.2913 5.4229 5.4229 6.3072 6.3072 6.4581 6.4581 6.4678 6.4678 9.1625 9.1625 9.4080 9.4080 10.0595 10.0595 10.1689 10.1689 10.6620 10.6620 10.7489 10.7489 k = 0.0000 0.0000 0.8566 ( 6048 PWs) bands (ev): -20.1639 -20.1639 -20.1580 -20.1580 -7.9536 -7.9536 -7.5019 -7.5019 -6.9509 -6.9509 -6.8074 -6.8074 -5.5430 -5.5430 -5.5096 -5.5096 -5.1389 -5.1389 -5.0461 -5.0461 -4.8798 -4.8798 -4.7849 -4.7849 -3.8033 -3.8033 -3.5134 -3.5134 1.8114 1.8114 1.8385 1.8385 2.0012 2.0012 3.2714 3.2714 3.5679 3.5679 3.6764 3.6764 4.6820 4.6820 4.7389 4.7389 5.0518 5.0518 5.2905 5.2905 5.4221 5.4221 6.3066 6.3066 6.4591 6.4591 6.4671 6.4671 9.1669 9.1669 9.4128 9.4128 10.0623 10.0623 10.1721 10.1721 10.6590 10.6590 10.7441 10.7441 k = 0.0000 0.0000 0.8566 ( 6048 PWs) bands (ev): -20.1639 -20.1639 -20.1580 -20.1580 -7.9536 -7.9536 -7.5019 -7.5019 -6.9509 -6.9509 -6.8074 -6.8074 -5.5430 -5.5430 -5.5096 -5.5096 -5.1389 -5.1389 -5.0461 -5.0461 -4.8798 -4.8798 -4.7849 -4.7849 -3.8033 -3.8033 -3.5134 -3.5134 1.8114 1.8114 1.8385 1.8385 2.0012 2.0012 3.2714 3.2714 3.5679 3.5679 3.6764 3.6764 4.6820 4.6820 4.7389 4.7389 5.0518 5.0518 5.2905 5.2905 5.4221 5.4221 6.3066 6.3066 6.4591 6.4591 6.4671 6.4671 9.1669 9.1669 9.4128 9.4128 10.0623 10.0623 10.1721 10.1721 10.6590 10.6590 10.7441 10.7441 k = 0.0000 0.0227 0.8566 ( 6040 PWs) bands (ev): -20.1638 -20.1638 -20.1580 -20.1580 -7.9535 -7.9528 -7.5025 -7.5025 -6.9532 -6.9491 -6.8081 -6.8067 -5.5443 -5.5440 -5.5256 -5.4944 -5.1422 -5.1330 -5.0548 -5.0347 -4.8795 -4.8794 -4.7850 -4.7850 -3.8037 -3.8036 -3.5141 -3.5137 1.8098 1.8133 1.8374 1.8397 2.0018 2.0027 3.2594 3.2775 3.5555 3.5803 3.6733 3.6795 4.6777 4.6897 4.7365 4.7410 5.0487 5.0517 5.2869 5.2985 5.4195 5.4271 6.2877 6.3104 6.4208 6.4406 6.4939 6.5048 9.1654 9.1657 9.4102 9.4149 10.0509 10.0578 10.1613 10.1649 10.6608 10.6662 10.7554 10.7565 k = 0.0000 0.0455 0.8566 ( 6020 PWs) bands (ev): -20.1638 -20.1638 -20.1580 -20.1580 -7.9524 -7.9509 -7.5044 -7.5043 -6.9559 -6.9478 -6.8089 -6.8063 -5.5505 -5.5467 -5.5392 -5.4811 -5.1428 -5.1244 -5.0602 -5.0210 -4.8784 -4.8782 -4.7853 -4.7853 -3.8046 -3.8043 -3.5160 -3.5151 1.8085 1.8151 1.8365 1.8414 2.0048 2.0063 3.2424 3.2768 3.5446 3.5910 3.6701 3.6834 4.6768 4.6998 4.7336 4.7435 5.0432 5.0484 5.2864 5.3104 5.4188 5.4356 6.2552 6.2966 6.3874 6.4260 6.5258 6.5445 9.1616 9.1622 9.4068 9.4162 10.0238 10.0368 10.1360 10.1431 10.6698 10.6791 10.7890 10.7922 k = 0.0000 0.0682 0.8566 ( 6008 PWs) bands (ev): -20.1638 -20.1638 -20.1580 -20.1580 -7.9503 -7.9481 -7.5075 -7.5074 -6.9588 -6.9470 -6.8097 -6.8061 -5.5653 -5.5508 -5.5463 -5.4702 -5.1408 -5.1135 -5.0620 -5.0057 -4.8766 -4.8760 -4.7858 -4.7858 -3.8060 -3.8057 -3.5189 -3.5176 1.8075 1.8162 1.8362 1.8442 2.0099 2.0118 3.2210 3.2690 3.5357 3.5983 3.6670 3.6894 4.6790 4.7102 4.7302 4.7484 5.0369 5.0429 5.2863 5.3243 5.4207 5.4488 6.2127 6.2633 6.3675 6.4180 6.5565 6.5802 9.1560 9.1570 9.4028 9.4167 9.9826 10.0000 10.1021 10.1132 10.6828 10.6951 10.8399 10.8469 k = 0.0000 0.0909 0.8566 ( 6006 PWs) bands (ev): -20.1637 -20.1637 -20.1581 -20.1581 -7.9473 -7.9443 -7.5119 -7.5117 -6.9618 -6.9468 -6.8107 -6.8063 -5.5826 -5.5561 -5.5521 -5.4623 -5.1361 -5.1004 -5.0603 -4.9895 -4.8741 -4.8726 -4.7865 -4.7865 -3.8079 -3.8074 -3.5228 -3.5212 1.8062 1.8159 1.8371 1.8485 2.0172 2.0189 3.1960 3.2540 3.5289 3.6010 3.6647 3.6983 4.6836 4.7170 4.7267 4.7589 5.0312 5.0369 5.2845 5.3374 5.4265 5.4674 6.1642 6.2175 6.3564 6.4141 6.5835 6.6105 9.1494 9.1510 9.3978 9.4163 9.9303 9.9505 10.0633 10.0790 10.6993 10.7141 10.8956 10.9140 k = 0.0000 0.1136 0.8566 ( 6008 PWs) bands (ev): -20.1637 -20.1637 -20.1581 -20.1581 -7.9432 -7.9396 -7.5176 -7.5171 -6.9646 -6.9469 -6.8118 -6.8070 -5.5998 -5.5621 -5.5587 -5.4575 -5.1290 -5.0855 -5.0552 -4.9731 -4.8709 -4.8679 -4.7873 -4.7873 -3.8101 -3.8095 -3.5279 -3.5258 1.8043 1.8143 1.8397 1.8546 2.0264 2.0274 3.1676 3.2325 3.5234 3.5993 3.6638 3.7101 4.6895 4.7187 4.7237 4.7758 5.0273 5.0314 5.2799 5.3471 5.4375 5.4908 6.1126 6.1668 6.3486 6.4124 6.6053 6.6346 9.1431 9.1453 9.3919 9.4148 9.8710 9.8932 10.0207 10.0414 10.7195 10.7369 10.9337 10.9858 k = 0.0000 0.1364 0.8566 ( 5998 PWs) bands (ev): -20.1636 -20.1636 -20.1582 -20.1582 -7.9382 -7.9339 -7.5245 -7.5237 -6.9672 -6.9473 -6.8132 -6.8083 -5.6164 -5.5685 -5.5662 -5.4559 -5.1197 -5.0692 -5.0472 -4.9573 -4.8669 -4.8614 -4.7883 -4.7880 -3.8125 -3.8119 -3.5340 -3.5315 1.8017 1.8117 1.8442 1.8621 2.0369 2.0374 3.1363 3.2053 3.5187 3.5944 3.6650 3.7238 4.6946 4.7170 4.7224 4.7965 5.0259 5.0275 5.2728 5.3526 5.4537 5.5178 6.0595 6.1147 6.3418 6.4121 6.6210 6.6521 9.1380 9.1410 9.3847 9.4119 9.8082 9.8318 9.9746 10.0004 10.7438 10.7637 10.9601 11.0176 k = 0.0000 0.1591 0.8566 ( 6006 PWs) bands (ev): -20.1635 -20.1635 -20.1583 -20.1583 -7.9323 -7.9273 -7.5326 -7.5314 -6.9694 -6.9478 -6.8150 -6.8103 -5.6321 -5.5750 -5.5744 -5.4570 -5.1083 -5.0517 -5.0369 -4.9428 -4.8623 -4.8529 -4.7894 -4.7888 -3.8149 -3.8143 -3.5411 -3.5383 1.7984 1.8083 1.8507 1.8707 2.0473 2.0500 3.1025 3.1737 3.5141 3.5878 3.6685 3.7384 4.6970 4.7136 4.7244 4.8186 5.0258 5.0272 5.2640 5.3554 5.4731 5.5467 6.0063 6.0630 6.3356 6.4128 6.6302 6.6626 9.1351 9.1389 9.3761 9.4075 9.7441 9.7690 9.9257 9.9565 10.7721 10.7947 10.9894 11.0460 k = 0.0000 0.1818 0.8566 ( 6010 PWs) bands (ev): -20.1634 -20.1634 -20.1584 -20.1584 -7.9254 -7.9198 -7.5419 -7.5402 -6.9710 -6.9483 -6.8172 -6.8131 -5.6465 -5.5832 -5.5812 -5.4606 -5.0953 -5.0335 -5.0251 -4.9302 -4.8569 -4.8425 -4.7906 -4.7892 -3.8173 -3.8166 -3.5494 -3.5462 1.7948 1.8046 1.8586 1.8799 2.0586 2.0641 3.0663 3.1383 3.5098 3.5808 3.6740 3.7529 4.6962 4.7093 4.7294 4.8400 5.0266 5.0314 5.2549 5.3570 5.4935 5.5760 5.9538 6.0127 6.3298 6.4143 6.6327 6.6664 9.1349 9.1397 9.3658 9.4012 9.6802 9.7065 9.8749 9.9103 10.8045 10.8298 11.0243 11.0811 k = 0.0000 0.2045 0.8566 ( 6020 PWs) bands (ev): -20.1632 -20.1632 -20.1585 -20.1585 -7.9176 -7.9114 -7.5524 -7.5501 -6.9719 -6.9486 -6.8200 -6.8166 -5.6595 -5.5923 -5.5870 -5.4662 -5.0810 -5.0148 -5.0124 -4.9195 -4.8508 -4.8307 -4.7918 -4.7889 -3.8193 -3.8187 -3.5587 -3.5552 1.7913 1.8009 1.8674 1.8891 2.0706 2.0798 3.0281 3.1001 3.5063 3.5744 3.6811 3.7666 4.6941 4.7045 4.7352 4.8589 5.0301 5.0384 5.2467 5.3587 5.5133 5.6044 5.9029 5.9648 6.3246 6.4165 6.6288 6.6638 9.1380 9.1438 9.3538 9.3928 9.6178 9.6457 9.8233 9.8629 10.8410 10.8690 11.0647 11.1221 k = 0.0000 0.2273 0.8566 ( 6024 PWs) bands (ev): -20.1631 -20.1631 -20.1587 -20.1587 -7.9090 -7.9021 -7.5639 -7.5609 -6.9721 -6.9485 -6.8234 -6.8209 -5.6711 -5.6017 -5.5921 -5.4733 -5.0659 -4.9995 -4.9961 -4.9106 -4.8441 -4.8192 -4.7930 -4.7870 -3.8208 -3.8202 -3.5690 -3.5652 1.7881 1.7975 1.8766 1.8976 2.0838 2.0973 2.9880 3.0594 3.5042 3.5697 3.6890 3.7791 4.6919 4.6996 4.7402 4.8736 5.0361 5.0480 5.2408 5.3611 5.5314 5.6306 5.8542 5.9198 6.3205 6.4195 6.6191 6.6555 9.1442 9.1510 9.3398 9.3821 9.5578 9.5873 9.7720 9.8152 10.8813 10.9119 11.1099 11.1683 k = 0.0000 0.2500 0.8566 ( 6036 PWs) bands (ev): -20.1630 -20.1630 -20.1588 -20.1588 -7.8995 -7.8920 -7.5763 -7.5727 -6.9715 -6.9480 -6.8275 -6.8259 -5.6811 -5.6112 -5.5964 -5.4814 -5.0502 -4.9870 -4.9777 -4.9029 -4.8369 -4.8102 -4.7940 -4.7817 -3.8216 -3.8209 -3.5803 -3.5762 1.7856 1.7947 1.8851 1.9048 2.0984 2.1167 2.9463 3.0168 3.5041 3.5672 3.6970 3.7898 4.6900 4.6951 4.7437 4.8827 5.0448 5.0598 5.2382 5.3643 5.5473 5.6539 5.8082 5.8783 6.3175 6.4231 6.6044 6.6425 9.1531 9.1610 9.3237 9.3688 9.5009 9.5324 9.7223 9.7683 10.9252 10.9583 11.1590 11.2183 k = 0.0000 0.2727 0.8566 ( 6022 PWs) bands (ev): -20.1628 -20.1628 -20.1589 -20.1589 -7.8891 -7.8811 -7.5897 -7.5853 -6.9700 -6.9469 -6.8322 -6.8318 -5.6896 -5.6207 -5.5998 -5.4904 -5.0345 -4.9752 -4.9602 -4.8960 -4.8296 -4.8051 -4.7947 -4.7724 -3.8214 -3.8207 -3.5925 -3.5883 1.7839 1.7928 1.8924 1.9101 2.1151 2.1386 2.9032 2.9726 3.5066 3.5676 3.7043 3.7982 4.6888 4.6912 4.7456 4.8852 5.0561 5.0738 5.2392 5.3682 5.5603 5.6736 5.7655 5.8408 6.3161 6.4273 6.5858 6.6259 9.1641 9.1730 9.3058 9.3528 9.4481 9.4819 9.6754 9.7230 10.9724 11.0079 11.2108 11.2712 k = 0.0000 0.2955 0.8566 ( 6038 PWs) bands (ev): -20.1626 -20.1626 -20.1591 -20.1591 -7.8780 -7.8695 -7.6039 -7.5987 -6.9676 -6.9452 -6.8383 -6.8375 -5.6965 -5.6301 -5.6021 -5.4998 -5.0189 -4.9644 -4.9439 -4.8896 -4.8224 -4.8021 -4.7950 -4.7612 -3.8201 -3.8194 -3.6057 -3.6012 1.7834 1.7918 1.8974 1.9129 2.1343 2.1632 2.8589 2.9272 3.5120 3.5712 3.7104 3.8039 4.6882 4.6883 4.7459 4.8811 5.0698 5.0895 5.2433 5.3720 5.5703 5.6893 5.7267 5.8075 6.3164 6.4319 6.5642 6.6069 9.1760 9.1858 9.2862 9.3338 9.4006 9.4367 9.6322 9.6801 11.0224 11.0601 11.2640 11.3254 k = 0.0000 0.3182 0.8566 ( 6034 PWs) bands (ev): -20.1625 -20.1625 -20.1593 -20.1593 -7.8660 -7.8572 -7.6187 -7.6128 -6.9644 -6.9429 -6.8454 -6.8434 -5.7018 -5.6393 -5.6035 -5.5094 -5.0039 -4.9549 -4.9294 -4.8835 -4.8160 -4.7993 -4.7946 -4.7502 -3.8175 -3.8166 -3.6196 -3.6150 1.7840 1.7921 1.8998 1.9130 2.1567 2.1907 2.8137 2.8808 3.5204 3.5780 3.7148 3.8066 4.6864 4.6886 4.7448 4.8715 5.0855 5.1070 5.2494 5.3749 5.5772 5.6924 5.7009 5.7788 6.3184 6.4369 6.5408 6.5868 9.1869 9.1972 9.2652 9.3115 9.3612 9.3986 9.5933 9.6401 11.0748 11.1145 11.3172 11.3795 k = 0.0000 0.3409 0.8566 ( 6036 PWs) bands (ev): -20.1623 -20.1623 -20.1595 -20.1595 -7.8534 -7.8442 -7.6342 -7.6275 -6.9604 -6.9398 -6.8530 -6.8499 -5.7057 -5.6483 -5.6038 -5.5192 -4.9897 -4.9466 -4.9170 -4.8779 -4.8106 -4.7955 -4.7932 -4.7406 -3.8134 -3.8124 -3.6342 -3.6295 1.7861 1.7938 1.8991 1.9103 2.1825 2.2210 2.7676 2.8336 3.5318 3.5882 3.7169 3.8061 4.6860 4.6896 4.7426 4.8576 5.1028 5.1259 5.2560 5.3760 5.5808 5.6634 5.7084 5.7546 6.3221 6.4420 6.5168 6.5667 9.1945 9.2041 9.2436 9.2847 9.3346 9.3697 9.5591 9.6033 11.1290 11.1705 11.3685 11.4316 k = 0.0000 0.3636 0.8566 ( 6036 PWs) bands (ev): -20.1621 -20.1621 -20.1596 -20.1596 -7.8401 -7.8306 -7.6500 -7.6427 -6.9555 -6.9361 -6.8611 -6.8567 -5.7082 -5.6569 -5.6030 -5.5288 -4.9765 -4.9396 -4.9068 -4.8732 -4.8066 -4.7910 -4.7901 -4.7330 -3.8078 -3.8065 -3.6493 -3.6446 1.7896 1.7969 1.8956 1.9051 2.2116 2.2543 2.7210 2.7858 3.5458 3.6013 3.7164 3.8023 4.6872 4.6913 4.7396 4.8407 5.1214 5.1461 5.2617 5.3741 5.5812 5.6403 5.7123 5.7351 6.3274 6.4471 6.4931 6.5476 9.1958 9.2028 9.2223 9.2553 9.3236 9.3526 9.5291 9.5697 11.1843 11.2275 11.4157 11.4793 k = 0.0000 0.3864 0.8566 ( 6050 PWs) bands (ev): -20.1619 -20.1619 -20.1598 -20.1598 -7.8262 -7.8164 -7.6663 -7.6583 -6.9499 -6.9317 -6.8695 -6.8639 -5.7093 -5.6651 -5.6012 -5.5382 -4.9647 -4.9341 -4.8985 -4.8698 -4.8034 -4.7885 -4.7828 -4.7277 -3.8006 -3.7990 -3.6649 -3.6603 1.7945 1.8015 1.8895 1.8978 2.2440 2.2901 2.6740 2.7377 3.5620 3.6172 3.7131 3.7951 4.6902 4.6937 4.7359 4.8223 5.1408 5.1676 5.2652 5.3683 5.5790 5.6233 5.7131 5.7202 6.3341 6.4520 6.4703 6.5303 9.1896 9.1929 9.2025 9.2272 9.3258 9.3482 9.5028 9.5392 11.2399 11.2848 11.4563 11.5200 k = 0.0000 0.4091 0.8566 ( 6050 PWs) bands (ev): -20.1617 -20.1617 -20.1600 -20.1600 -7.8116 -7.8017 -7.6827 -7.6742 -6.9437 -6.9267 -6.8782 -6.8714 -5.7092 -5.6728 -5.5985 -5.5472 -4.9544 -4.9300 -4.8917 -4.8680 -4.8006 -4.7865 -4.7740 -4.7249 -3.7918 -3.7899 -3.6808 -3.6762 1.8009 1.8076 1.8814 1.8886 2.2793 2.3284 2.6270 2.6896 3.5799 3.6352 3.7069 3.7846 4.6950 4.6967 4.7318 4.8032 5.1605 5.1900 5.2656 5.3584 5.5757 5.6112 5.7088 5.7122 6.3419 6.4492 6.4567 6.5153 9.1780 9.1788 9.1853 9.2026 9.3362 9.3539 9.4794 9.5113 11.2949 11.3415 11.4875 11.5506 k = 0.0000 0.4318 0.8566 ( 6050 PWs) bands (ev): -20.1615 -20.1615 -20.1602 -20.1602 -7.7966 -7.7865 -7.6994 -7.6904 -6.9368 -6.9211 -6.8870 -6.8789 -5.7078 -5.6800 -5.5948 -5.5559 -4.9456 -4.9274 -4.8860 -4.8677 -4.7976 -4.7855 -4.7644 -4.7246 -3.7814 -3.7791 -3.6967 -3.6923 1.8087 1.8151 1.8716 1.8783 2.3172 2.3688 2.5801 2.6415 3.5988 3.6549 3.6978 3.7712 4.7002 4.7018 4.7274 4.7844 5.1801 5.2132 5.2625 5.3442 5.5735 5.6020 5.7020 5.7090 6.3508 6.4300 6.4613 6.5026 9.1652 9.1655 9.1710 9.1820 9.3506 9.3661 9.4581 9.4858 11.3480 11.3963 11.5064 11.5683 k = 0.0000 0.4545 0.8566 ( 6050 PWs) bands (ev): -20.1613 -20.1613 -20.1604 -20.1604 -7.7811 -7.7710 -7.7160 -7.7066 -6.9293 -6.9149 -6.8958 -6.8865 -5.7054 -5.6866 -5.5902 -5.5640 -4.9385 -4.9264 -4.8811 -4.8687 -4.7946 -4.7856 -4.7546 -4.7267 -3.7697 -3.7670 -3.7125 -3.7083 1.8177 1.8239 1.8609 1.8671 2.3573 2.4111 2.5336 2.5938 3.6181 3.6756 3.6859 3.7552 4.7042 4.7107 4.7227 4.7664 5.1990 5.2368 5.2557 5.3265 5.5737 5.5941 5.6984 5.7053 6.3607 6.4128 6.4661 6.4922 9.1550 9.1556 9.1596 9.1660 9.3669 9.3819 9.4384 9.4622 11.3975 11.4478 11.5110 11.5711 k = 0.0000 0.4773 0.8566 ( 6048 PWs) bands (ev): -20.1611 -20.1611 -20.1606 -20.1606 -7.7652 -7.7552 -7.7326 -7.7229 -6.9214 -6.9083 -6.9046 -6.8940 -5.7020 -5.6925 -5.5847 -5.5716 -4.9330 -4.9270 -4.8770 -4.8707 -4.7916 -4.7868 -4.7455 -4.7311 -3.7567 -3.7536 -3.7279 -3.7241 1.8277 1.8337 1.8497 1.8557 2.3993 2.4550 2.4878 2.5466 3.6371 3.6716 3.6966 3.7370 4.7086 4.7179 4.7217 4.7497 5.2166 5.2456 5.2605 5.3061 5.5763 5.5871 5.6975 5.7016 6.3716 6.3974 6.4711 6.4838 9.1496 9.1497 9.1519 9.1551 9.3840 9.3999 9.4197 9.4402 11.4413 11.4938 11.5007 11.5584 k = 0.0000 0.5000 0.8566 ( 6048 PWs) bands (ev): -20.1609 -20.1609 -20.1609 -20.1609 -7.7490 -7.7490 -7.7391 -7.7391 -6.9131 -6.9131 -6.9013 -6.9013 -5.6977 -5.6977 -5.5785 -5.5785 -4.9292 -4.9292 -4.8735 -4.8735 -4.7889 -4.7889 -4.7375 -4.7375 -3.7427 -3.7427 -3.7392 -3.7392 1.8385 1.8385 1.8445 1.8445 2.4429 2.4429 2.5003 2.5003 3.6551 3.6551 3.7173 3.7173 4.7132 4.7132 4.7348 4.7348 5.2324 5.2324 5.2838 5.2838 5.5810 5.5810 5.6988 5.6988 6.3838 6.3838 6.4769 6.4769 9.1485 9.1485 9.1496 9.1496 9.4017 9.4017 9.4194 9.4194 11.4766 11.4766 11.5317 11.5317 k = 0.0000 0.5000 0.8566 ( 6048 PWs) bands (ev): -20.1609 -20.1609 -20.1609 -20.1609 -7.7490 -7.7490 -7.7391 -7.7391 -6.9131 -6.9131 -6.9013 -6.9013 -5.6977 -5.6977 -5.5785 -5.5785 -4.9292 -4.9292 -4.8735 -4.8735 -4.7889 -4.7889 -4.7375 -4.7375 -3.7427 -3.7427 -3.7392 -3.7392 1.8385 1.8385 1.8445 1.8445 2.4429 2.4429 2.5003 2.5003 3.6551 3.6551 3.7173 3.7173 4.7132 4.7132 4.7348 4.7348 5.2324 5.2324 5.2838 5.2838 5.5810 5.5810 5.6988 5.6988 6.3838 6.3838 6.4769 6.4769 9.1485 9.1485 9.1496 9.1496 9.4017 9.4017 9.4194 9.4194 11.4766 11.4766 11.5317 11.5317 k = 0.0227 0.5000 0.8566 ( 6044 PWs) bands (ev): -20.1609 -20.1609 -20.1608 -20.1608 -7.7494 -7.7494 -7.7384 -7.7384 -6.9165 -6.9165 -6.8986 -6.8986 -5.6986 -5.6986 -5.5791 -5.5791 -4.9277 -4.9277 -4.8732 -4.8732 -4.7888 -4.7888 -4.7364 -4.7364 -3.7447 -3.7447 -3.7380 -3.7380 1.8371 1.8371 1.8436 1.8436 2.4436 2.4436 2.5007 2.5007 3.6568 3.6568 3.7188 3.7188 4.7112 4.7112 4.7343 4.7343 5.2325 5.2325 5.2845 5.2845 5.5793 5.5793 5.6983 5.6983 6.3826 6.3826 6.4754 6.4754 9.1471 9.1471 9.1520 9.1520 9.4024 9.4024 9.4212 9.4212 11.4756 11.4756 11.5306 11.5306 k = 0.0455 0.5000 0.8566 ( 6048 PWs) bands (ev): -20.1609 -20.1609 -20.1609 -20.1609 -7.7502 -7.7502 -7.7367 -7.7367 -6.9230 -6.9230 -6.8939 -6.8939 -5.7012 -5.7012 -5.5809 -5.5809 -4.9233 -4.9233 -4.8723 -4.8723 -4.7885 -4.7885 -4.7334 -4.7334 -3.7483 -3.7483 -3.7364 -3.7364 1.8331 1.8331 1.8409 1.8409 2.4457 2.4457 2.5022 2.5022 3.6618 3.6618 3.7234 3.7234 4.7057 4.7057 4.7327 4.7327 5.2325 5.2325 5.2864 5.2864 5.5743 5.5743 5.6968 5.6968 6.3790 6.3790 6.4709 6.4709 9.1461 9.1461 9.1556 9.1556 9.4049 9.4049 9.4262 9.4262 11.4727 11.4727 11.5275 11.5275 k = 0.0682 0.5000 0.8566 ( 6044 PWs) bands (ev): -20.1609 -20.1609 -20.1608 -20.1608 -7.7511 -7.7511 -7.7343 -7.7343 -6.9304 -6.9304 -6.8895 -6.8895 -5.7053 -5.7053 -5.5838 -5.5838 -4.9164 -4.9164 -4.8709 -4.8709 -4.7878 -4.7878 -4.7284 -4.7284 -3.7527 -3.7527 -3.7354 -3.7354 1.8267 1.8267 1.8362 1.8362 2.4492 2.4492 2.5046 2.5046 3.6698 3.6698 3.7308 3.7308 4.6977 4.6977 4.7295 4.7295 5.2315 5.2315 5.2892 5.2892 5.5666 5.5666 5.6949 5.6949 6.3733 6.3733 6.4638 6.4638 9.1457 9.1457 9.1597 9.1597 9.4095 9.4095 9.4343 9.4343 11.4684 11.4684 11.5227 11.5227 k = 0.0909 0.5000 0.8566 ( 6040 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7519 -7.7519 -7.7315 -7.7315 -6.9382 -6.9382 -6.8859 -6.8859 -5.7107 -5.7107 -5.5878 -5.5878 -4.9075 -4.9075 -4.8689 -4.8689 -4.7863 -4.7863 -4.7216 -4.7216 -3.7576 -3.7576 -3.7351 -3.7351 1.8180 1.8180 1.8294 1.8294 2.4543 2.4543 2.5082 2.5082 3.6807 3.6807 3.7406 3.7406 4.6883 4.6883 4.7248 4.7248 5.2282 5.2282 5.2921 5.2921 5.5567 5.5567 5.6930 5.6930 6.3658 6.3658 6.4543 6.4543 9.1452 9.1452 9.1636 9.1636 9.4165 9.4165 9.4450 9.4450 11.4635 11.4635 11.5171 11.5171 k = 0.1136 0.5000 0.8566 ( 6028 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7523 -7.7523 -7.7285 -7.7285 -6.9462 -6.9462 -6.8832 -6.8832 -5.7171 -5.7171 -5.5929 -5.5929 -4.8976 -4.8976 -4.8664 -4.8664 -4.7833 -4.7833 -4.7131 -4.7131 -3.7631 -3.7631 -3.7356 -3.7356 1.8073 1.8073 1.8206 1.8206 2.4612 2.4612 2.5132 2.5132 3.6938 3.6938 3.7524 3.7524 4.6782 4.6782 4.7188 4.7188 5.2215 5.2215 5.2942 5.2942 5.5459 5.5459 5.6918 5.6918 6.3569 6.3569 6.4429 6.4429 9.1442 9.1442 9.1665 9.1665 9.4261 9.4261 9.4580 9.4580 11.4587 11.4587 11.5113 11.5113 k = 0.1364 0.5000 0.8566 ( 6024 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7524 -7.7524 -7.7254 -7.7254 -6.9540 -6.9540 -6.8816 -6.8816 -5.7241 -5.7241 -5.5990 -5.5990 -4.8879 -4.8879 -4.8633 -4.8633 -4.7783 -4.7783 -4.7030 -4.7030 -3.7690 -3.7690 -3.7370 -3.7370 1.7948 1.7948 1.8098 1.8098 2.4698 2.4698 2.5197 2.5197 3.7089 3.7089 3.7657 3.7657 4.6681 4.6681 4.7120 4.7120 5.2104 5.2104 5.2939 5.2939 5.5353 5.5353 5.6917 5.6917 6.3472 6.3472 6.4304 6.4304 9.1422 9.1422 9.1677 9.1677 9.4383 9.4383 9.4729 9.4729 11.4548 11.4548 11.5062 11.5062 k = 0.1591 0.5000 0.8566 ( 6016 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7522 -7.7522 -7.7222 -7.7222 -6.9616 -6.9616 -6.8812 -6.8812 -5.7313 -5.7313 -5.6060 -5.6060 -4.8797 -4.8797 -4.8596 -4.8596 -4.7704 -4.7704 -4.6915 -4.6915 -3.7752 -3.7752 -3.7391 -3.7391 1.7807 1.7807 1.7973 1.7973 2.4802 2.4802 2.5277 2.5277 3.7252 3.7252 3.7800 3.7800 4.6588 4.6588 4.7046 4.7046 5.1946 5.1946 5.2898 5.2898 5.5263 5.5263 5.6927 5.6927 6.3373 6.3373 6.4173 6.4173 9.1388 9.1388 9.1666 9.1666 9.4528 9.4528 9.4891 9.4891 11.4528 11.4528 11.5027 11.5027 k = 0.1818 0.5000 0.8566 ( 6012 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7515 -7.7515 -7.7192 -7.7192 -6.9688 -6.9688 -6.8818 -6.8818 -5.7384 -5.7384 -5.6139 -5.6139 -4.8738 -4.8738 -4.8555 -4.8555 -4.7591 -4.7591 -4.6788 -4.6788 -3.7817 -3.7817 -3.7421 -3.7421 1.7654 1.7654 1.7833 1.7833 2.4924 2.4924 2.5373 2.5373 3.7423 3.7423 3.7947 3.7947 4.6507 4.6507 4.6972 4.6972 5.1744 5.1744 5.2807 5.2807 5.5199 5.5199 5.6945 5.6945 6.3279 6.3279 6.4043 6.4043 9.1338 9.1338 9.1630 9.1630 9.4690 9.4690 9.5061 9.5061 11.4530 11.4530 11.5012 11.5012 k = 0.2045 0.5000 0.8566 ( 6004 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7505 -7.7505 -7.7163 -7.7163 -6.9755 -6.9755 -6.8837 -6.8837 -5.7452 -5.7452 -5.6224 -5.6224 -4.8697 -4.8697 -4.8519 -4.8519 -4.7444 -4.7444 -4.6650 -4.6650 -3.7884 -3.7884 -3.7458 -3.7458 1.7492 1.7492 1.7680 1.7680 2.5062 2.5062 2.5483 2.5483 3.7596 3.7596 3.8094 3.8094 4.6440 4.6440 4.6899 4.6899 5.1505 5.1505 5.2664 5.2664 5.5162 5.5162 5.6963 5.6963 6.3197 6.3197 6.3922 6.3922 9.1270 9.1270 9.1569 9.1569 9.4862 9.4862 9.5231 9.5231 11.4557 11.4557 11.5021 11.5021 k = 0.2273 0.5000 0.8566 ( 6016 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7490 -7.7490 -7.7136 -7.7136 -6.9814 -6.9814 -6.8867 -6.8867 -5.7514 -5.7514 -5.6316 -5.6316 -4.8670 -4.8670 -4.8492 -4.8492 -4.7268 -4.7268 -4.6505 -4.6505 -3.7952 -3.7952 -3.7504 -3.7504 1.7324 1.7324 1.7518 1.7518 2.5216 2.5216 2.5608 2.5608 3.7768 3.7768 3.8235 3.8235 4.6389 4.6389 4.6829 4.6829 5.1240 5.1240 5.2476 5.2476 5.5148 5.5148 5.6971 5.6971 6.3134 6.3134 6.3816 6.3816 9.1185 9.1185 9.1483 9.1483 9.5037 9.5037 9.5397 9.5397 11.4611 11.4611 11.5056 11.5056 k = 0.2500 0.5000 0.8566 ( 6012 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7472 -7.7472 -7.7112 -7.7112 -6.9865 -6.9865 -6.8907 -6.8907 -5.7568 -5.7568 -5.6412 -5.6412 -4.8649 -4.8649 -4.8477 -4.8477 -4.7073 -4.7073 -4.6355 -4.6355 -3.8020 -3.8020 -3.7557 -3.7557 1.7155 1.7155 1.7350 1.7350 2.5381 2.5381 2.5743 2.5743 3.7933 3.7933 3.8367 3.8367 4.6351 4.6351 4.6761 4.6761 5.0962 5.0962 5.2256 5.2256 5.5148 5.5148 5.6962 5.6962 6.3094 6.3094 6.3729 6.3729 9.1085 9.1085 9.1375 9.1375 9.5208 9.5208 9.5552 9.5552 11.4689 11.4689 11.5114 11.5114 k = 0.2727 0.5000 0.8566 ( 6016 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7451 -7.7451 -7.7091 -7.7091 -6.9907 -6.9907 -6.8958 -6.8958 -5.7612 -5.7612 -5.6511 -5.6511 -4.8633 -4.8633 -4.8470 -4.8470 -4.6867 -4.6867 -4.6203 -4.6203 -3.8085 -3.8085 -3.7617 -3.7617 1.6988 1.6988 1.7181 1.7181 2.5556 2.5556 2.5886 2.5886 3.8090 3.8090 3.8488 3.8488 4.6324 4.6324 4.6693 4.6693 5.0686 5.0686 5.2019 5.2019 5.5151 5.5151 5.6928 5.6928 6.3081 6.3081 6.3665 6.3665 9.0972 9.0972 9.1250 9.1250 9.5369 9.5369 9.5692 9.5692 11.4788 11.4788 11.5194 11.5194 k = 0.2955 0.5000 0.8566 ( 6012 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7427 -7.7427 -7.7075 -7.7075 -6.9939 -6.9939 -6.9017 -6.9017 -5.7646 -5.7646 -5.6612 -5.6612 -4.8620 -4.8620 -4.8469 -4.8469 -4.6657 -4.6657 -4.6052 -4.6052 -3.8147 -3.8147 -3.7683 -3.7683 1.6827 1.6827 1.7013 1.7013 2.5735 2.5735 2.6034 2.6034 3.8235 3.8235 3.8596 3.8596 4.6301 4.6301 4.6624 4.6624 5.0427 5.0427 5.1780 5.1780 5.5154 5.5154 5.6865 5.6865 6.3096 6.3096 6.3624 6.3624 9.0851 9.0851 9.1111 9.1111 9.5517 9.5517 9.5815 9.5815 11.4904 11.4904 11.5288 11.5288 k = 0.3182 0.5000 0.8566 ( 6012 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7399 -7.7399 -7.7064 -7.7064 -6.9959 -6.9959 -6.9085 -6.9085 -5.7668 -5.7668 -5.6714 -5.6714 -4.8609 -4.8609 -4.8472 -4.8472 -4.6449 -4.6449 -4.5907 -4.5907 -3.8204 -3.8204 -3.7753 -3.7753 1.6674 1.6674 1.6851 1.6851 2.5916 2.5916 2.6182 2.6182 3.8368 3.8368 3.8690 3.8690 4.6275 4.6275 4.6551 4.6551 5.0200 5.0200 5.1547 5.1547 5.5154 5.5154 5.6771 5.6771 6.3135 6.3135 6.3606 6.3606 9.0725 9.0725 9.0965 9.0965 9.5650 9.5650 9.5919 9.5919 11.5030 11.5030 11.5393 11.5393 k = 0.3409 0.5000 0.8566 ( 6004 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7370 -7.7370 -7.7057 -7.7057 -6.9968 -6.9968 -6.9158 -6.9158 -5.7679 -5.7679 -5.6816 -5.6816 -4.8600 -4.8600 -4.8478 -4.8478 -4.6250 -4.6250 -4.5771 -4.5771 -3.8255 -3.8255 -3.7828 -3.7828 1.6534 1.6534 1.6697 1.6697 2.6092 2.6092 2.6326 2.6326 3.8487 3.8487 3.8771 3.8771 4.6239 4.6239 4.6473 4.6473 5.0020 5.0020 5.1329 5.1329 5.5152 5.5152 5.6649 5.6649 6.3196 6.3196 6.3606 6.3606 9.0599 9.0599 9.0816 9.0816 9.5766 9.5766 9.6004 9.6004 11.5161 11.5161 11.5499 11.5499 k = 0.3636 0.5000 0.8566 ( 6008 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7339 -7.7339 -7.7056 -7.7056 -6.9965 -6.9965 -6.9237 -6.9237 -5.7677 -5.7677 -5.6917 -5.6917 -4.8591 -4.8591 -4.8486 -4.8486 -4.6062 -4.6062 -4.5649 -4.5649 -3.8296 -3.8296 -3.7904 -3.7904 1.6409 1.6409 1.6556 1.6556 2.6260 2.6260 2.6461 2.6461 3.8593 3.8593 3.8838 3.8838 4.6191 4.6191 4.6388 4.6388 4.9896 4.9896 5.1128 5.1128 5.5153 5.5153 5.6503 5.6503 6.3271 6.3271 6.3620 6.3620 9.0480 9.0480 9.0670 9.0670 9.5865 9.5865 9.6071 9.6071 11.5293 11.5293 11.5602 11.5602 k = 0.3864 0.5000 0.8566 ( 6012 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7307 -7.7307 -7.7060 -7.7060 -6.9950 -6.9950 -6.9319 -6.9319 -5.7664 -5.7664 -5.7016 -5.7016 -4.8583 -4.8583 -4.8495 -4.8495 -4.5891 -4.5891 -4.5543 -4.5543 -3.8328 -3.8328 -3.7981 -3.7981 1.6302 1.6302 1.6428 1.6428 2.6415 2.6415 2.6583 2.6583 3.8687 3.8687 3.8892 3.8892 4.6131 4.6131 4.6297 4.6297 4.9831 4.9831 5.0945 5.0945 5.5163 5.5163 5.6340 5.6340 6.3353 6.3353 6.3641 6.3641 9.0370 9.0370 9.0533 9.0533 9.5948 9.5948 9.6121 9.6121 11.5420 11.5420 11.5695 11.5695 k = 0.4091 0.5000 0.8566 ( 6012 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7274 -7.7274 -7.7069 -7.7069 -6.9924 -6.9924 -6.9402 -6.9402 -5.7639 -5.7639 -5.7111 -5.7111 -4.8576 -4.8576 -4.8505 -4.8505 -4.5739 -4.5739 -4.5458 -4.5458 -3.8347 -3.8347 -3.8056 -3.8056 1.6214 1.6214 1.6318 1.6318 2.6552 2.6552 2.6686 2.6686 3.8767 3.8767 3.8933 3.8933 4.6068 4.6068 4.6204 4.6204 4.9824 4.9824 5.0776 5.0776 5.5188 5.5188 5.6167 5.6167 6.3437 6.3437 6.3665 6.3665 9.0276 9.0276 9.0409 9.0409 9.6016 9.6016 9.6156 9.6156 11.5539 11.5539 11.5773 11.5773 k = 0.4318 0.5000 0.8566 ( 6028 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7241 -7.7241 -7.7083 -7.7083 -6.9886 -6.9886 -6.9485 -6.9485 -5.7604 -5.7604 -5.7201 -5.7201 -4.8568 -4.8568 -4.8514 -4.8514 -4.5609 -4.5609 -4.5396 -4.5396 -3.8354 -3.8354 -3.8126 -3.8126 1.6147 1.6147 1.6227 1.6227 2.6667 2.6667 2.6768 2.6768 3.8835 3.8835 3.8960 3.8960 4.6010 4.6010 4.6114 4.6114 4.9867 4.9867 5.0618 5.0618 5.5233 5.5233 5.5991 5.5991 6.3515 6.3515 6.3684 6.3684 9.0202 9.0202 9.0303 9.0303 9.6071 9.6071 9.6176 9.6176 11.5646 11.5646 11.5830 11.5830 k = 0.4545 0.5000 0.8566 ( 6044 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7209 -7.7209 -7.7101 -7.7101 -6.9839 -6.9839 -6.9566 -6.9566 -5.7558 -5.7558 -5.7287 -5.7287 -4.8560 -4.8560 -4.8524 -4.8524 -4.5504 -4.5504 -4.5361 -4.5361 -3.8347 -3.8347 -3.8191 -3.8191 1.6102 1.6102 1.6157 1.6157 2.6756 2.6756 2.6824 2.6824 3.8889 3.8889 3.8974 3.8974 4.5966 4.5966 4.6037 4.6037 4.9948 4.9948 5.0468 5.0468 5.5302 5.5302 5.5819 5.5819 6.3582 6.3582 6.3694 6.3694 9.0152 9.0152 9.0219 9.0219 9.6115 9.6115 9.6185 9.6185 11.5735 11.5735 11.5864 11.5864 k = 0.4773 0.5000 0.8566 ( 6040 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7178 -7.7178 -7.7123 -7.7123 -6.9781 -6.9781 -6.9644 -6.9644 -5.7503 -5.7503 -5.7366 -5.7366 -4.8552 -4.8552 -4.8534 -4.8534 -4.5425 -4.5425 -4.5354 -4.5354 -3.8327 -3.8327 -3.8247 -3.8247 1.6081 1.6081 1.6108 1.6108 2.6818 2.6818 2.6852 2.6852 3.8931 3.8931 3.8974 3.8974 4.5943 4.5943 4.5980 4.5980 5.0057 5.0057 5.0323 5.0323 5.5397 5.5397 5.5660 5.5660 6.3635 6.3635 6.3690 6.3690 9.0127 9.0127 9.0161 9.0161 9.6147 9.6147 9.6183 9.6183 11.5805 11.5805 11.5871 11.5871 k = 0.5000 0.5000 0.8566 ( 6032 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7149 -7.7149 -7.7149 -7.7149 -6.9716 -6.9716 -6.9716 -6.9716 -5.7439 -5.7439 -5.7439 -5.7439 -4.8543 -4.8543 -4.8543 -4.8543 -4.5375 -4.5375 -4.5375 -4.5375 -3.8293 -3.8293 -3.8293 -3.8293 1.6083 1.6083 1.6083 1.6083 2.6850 2.6850 2.6850 2.6850 3.8959 3.8959 3.8959 3.8959 4.5948 4.5948 4.5948 4.5948 5.0184 5.0184 5.0184 5.0184 5.5517 5.5517 5.5517 5.5517 6.3671 6.3671 6.3671 6.3671 9.0130 9.0130 9.0130 9.0130 9.6170 9.6170 9.6170 9.6170 11.5851 11.5851 11.5851 11.5851 k = 0.5000 0.5000 0.8566 ( 6032 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7149 -7.7149 -7.7149 -7.7149 -6.9716 -6.9716 -6.9716 -6.9716 -5.7439 -5.7439 -5.7439 -5.7439 -4.8543 -4.8543 -4.8543 -4.8543 -4.5375 -4.5375 -4.5375 -4.5375 -3.8293 -3.8293 -3.8293 -3.8293 1.6083 1.6083 1.6083 1.6083 2.6850 2.6850 2.6850 2.6850 3.8959 3.8959 3.8959 3.8959 4.5948 4.5948 4.5948 4.5948 5.0184 5.0184 5.0184 5.0184 5.5517 5.5517 5.5517 5.5517 6.3671 6.3671 6.3671 6.3671 9.0130 9.0130 9.0130 9.0130 9.6170 9.6170 9.6170 9.6170 11.5851 11.5851 11.5851 11.5851 k = 0.4839 0.4839 0.8566 ( 6032 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7183 -7.7173 -7.7127 -7.7119 -6.9783 -6.9780 -6.9643 -6.9643 -5.7521 -5.7478 -5.7391 -5.7348 -4.8557 -4.8542 -4.8541 -4.8531 -4.5435 -4.5405 -4.5383 -4.5335 -3.8335 -3.8318 -3.8257 -3.8237 1.6072 1.6094 1.6100 1.6113 2.6806 2.6817 2.6842 2.6874 3.8925 3.8943 3.8951 3.8990 4.5921 4.5963 4.5981 4.5982 4.9988 5.0196 5.0213 5.0362 5.5372 5.5499 5.5499 5.5744 6.3608 6.3656 6.3686 6.3701 9.0111 9.0136 9.0156 9.0172 9.6132 9.6158 9.6182 9.6189 11.5803 11.5807 11.5857 11.5884 k = 0.4677 0.4677 0.8566 ( 6038 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7225 -7.7202 -7.7102 -7.7090 -6.9843 -6.9836 -6.9566 -6.9564 -5.7595 -5.7509 -5.7335 -5.7250 -4.8573 -4.8537 -4.8536 -4.8523 -4.5514 -4.5473 -4.5429 -4.5315 -3.8366 -3.8337 -3.8208 -3.8165 1.6076 1.6134 1.6138 1.6171 2.6694 2.6722 2.6837 2.6907 3.8869 3.8893 3.8938 3.9021 4.5893 4.5979 4.6069 4.6073 4.9794 5.0248 5.0279 5.0512 5.5299 5.5440 5.5460 5.6034 6.3491 6.3594 6.3725 6.3746 9.0094 9.0146 9.0234 9.0265 9.6059 9.6118 9.6209 9.6217 11.5727 11.5738 11.5832 11.5903 k = 0.4516 0.4516 0.8566 ( 6026 PWs) bands (ev): -20.1609 -20.1609 -20.1607 -20.1607 -7.7277 -7.7240 -7.7072 -7.7057 -6.9898 -6.9883 -6.9483 -6.9478 -5.7660 -5.7531 -5.7273 -5.7146 -4.8592 -4.8529 -4.8528 -4.8516 -4.5614 -4.5575 -4.5512 -4.5315 -3.8389 -3.8351 -3.8142 -3.8076 1.6092 1.6182 1.6215 1.6263 2.6519 2.6561 2.6842 2.6950 3.8784 3.8811 3.8927 3.9046 4.5866 4.5988 4.6215 4.6224 4.9625 5.0338 5.0381 5.0638 5.5231 5.5340 5.5462 5.6361 6.3330 6.3485 6.3789 6.3818 9.0076 9.0154 9.0361 9.0406 9.5953 9.6044 9.6253 9.6263 11.5613 11.5640 11.5799 11.5911 k = 0.4355 0.4355 0.8566 ( 6020 PWs) bands (ev): -20.1609 -20.1609 -20.1607 -20.1607 -7.7339 -7.7288 -7.7036 -7.7020 -6.9945 -6.9921 -6.9398 -6.9387 -5.7717 -5.7542 -5.7204 -5.7035 -4.8612 -4.8524 -4.8516 -4.8507 -4.5734 -4.5710 -4.5627 -4.5335 -3.8408 -3.8364 -3.8058 -3.7971 1.6122 1.6240 1.6323 1.6385 2.6286 2.6343 2.6857 2.7003 3.8673 3.8700 3.8910 3.9057 4.5843 4.5992 4.6412 4.6427 4.9501 5.0461 5.0515 5.0755 5.5103 5.5203 5.5544 5.6691 6.3145 6.3344 6.3880 6.3918 9.0056 9.0158 9.0527 9.0586 9.5819 9.5941 9.6314 9.6328 11.5467 11.5498 11.5779 11.5913 k = 0.4194 0.4194 0.8566 ( 6020 PWs) bands (ev): -20.1610 -20.1610 -20.1606 -20.1606 -7.7411 -7.7347 -7.6993 -7.6976 -6.9985 -6.9949 -6.9309 -6.9293 -5.7763 -5.7544 -5.7131 -5.6918 -4.8635 -4.8524 -4.8501 -4.8495 -4.5878 -4.5872 -4.5770 -4.5374 -3.8424 -3.8375 -3.7957 -3.7851 1.6164 1.6309 1.6461 1.6535 2.6006 2.6075 2.6882 2.7067 3.8541 3.8563 3.8880 3.9042 4.5826 4.5993 4.6655 4.6678 4.9440 5.0614 5.0677 5.0883 5.4928 5.5030 5.5662 5.6984 6.2967 6.3193 6.3996 6.4044 9.0034 9.0159 9.0717 9.0792 9.5663 9.5816 9.6393 9.6410 11.5290 11.5309 11.5783 11.5916 k = 0.4032 0.4032 0.8566 ( 6020 PWs) bands (ev): -20.1611 -20.1611 -20.1605 -20.1605 -7.7493 -7.7418 -7.6942 -7.6925 -7.0018 -6.9967 -6.9219 -6.9197 -5.7799 -5.7535 -5.7053 -5.6795 -4.8659 -4.8529 -4.8482 -4.8479 -4.6060 -4.6048 -4.5931 -4.5433 -3.8437 -3.8385 -3.7840 -3.7719 1.6218 1.6388 1.6625 1.6711 2.5686 2.5767 2.6917 2.7143 3.8394 3.8405 3.8831 3.8993 4.5819 4.5996 4.6937 4.6971 4.9454 5.0793 5.0863 5.1039 5.4722 5.4827 5.5767 5.7197 6.2833 6.3057 6.4135 6.4195 9.0011 9.0154 9.0920 9.1009 9.5493 9.5675 9.6490 9.6511 11.5078 11.5078 11.5813 11.5927 k = 0.3871 0.3871 0.8566 ( 6006 PWs) bands (ev): -20.1612 -20.1612 -20.1604 -20.1604 -7.7584 -7.7499 -7.6884 -7.6866 -7.0045 -6.9977 -6.9128 -6.9099 -5.7825 -5.7515 -5.6971 -5.6668 -4.8685 -4.8540 -4.8461 -4.8461 -4.6268 -4.6248 -4.6104 -4.5510 -3.8449 -3.8395 -3.7710 -3.7578 1.6283 1.6477 1.6813 1.6909 2.5336 2.5428 2.6964 2.7232 3.8229 3.8236 3.8755 3.8908 4.5824 4.6001 4.7252 4.7299 4.9546 5.1004 5.1069 5.1224 5.4495 5.4600 5.5818 5.7290 6.2780 6.2960 6.4297 6.4370 8.9987 9.0145 9.1120 9.1223 9.5319 9.5529 9.6603 9.6628 11.4807 11.4832 11.5870 11.5949 k = 0.3710 0.3710 0.8566 ( 6010 PWs) bands (ev): -20.1613 -20.1613 -20.1604 -20.1603 -7.7683 -7.7590 -7.6818 -7.6800 -7.0064 -6.9978 -6.9037 -6.9001 -5.7840 -5.7484 -5.6887 -5.6536 -4.8712 -4.8555 -4.8443 -4.8436 -4.6494 -4.6473 -4.6286 -4.5605 -3.8458 -3.8404 -3.7568 -3.7429 1.6358 1.6572 1.7019 1.7124 2.4964 2.5068 2.7022 2.7334 3.8039 3.8073 3.8653 3.8787 4.5842 4.6013 4.7593 4.7656 4.9711 5.1253 5.1289 5.1424 5.4265 5.4358 5.5786 5.7235 6.2832 6.2920 6.4478 6.4566 8.9963 9.0130 9.1306 9.1424 9.5151 9.5383 9.6733 9.6762 11.4500 11.4549 11.5946 11.5979 k = 0.3548 0.3548 0.8566 ( 6012 PWs) bands (ev): -20.1614 -20.1614 -20.1602 -20.1602 -7.7788 -7.7689 -7.6745 -7.6727 -7.0077 -6.9972 -6.8947 -6.8905 -5.7843 -5.7443 -5.6801 -5.6401 -4.8741 -4.8577 -4.8424 -4.8409 -4.6733 -4.6719 -4.6476 -4.5717 -3.8464 -3.8411 -3.7419 -3.7275 1.6442 1.6674 1.7239 1.7351 2.4579 2.4693 2.7094 2.7452 3.7838 3.7906 3.8526 3.8637 4.5873 4.6032 4.7953 4.8036 4.9941 5.1516 5.1544 5.1616 5.4054 5.4114 5.5659 5.7035 6.2946 6.2988 6.4677 6.4781 8.9942 9.0112 9.1470 9.1603 9.4996 9.5246 9.6879 9.6912 11.4159 11.4231 11.6009 11.6033 k = 0.3387 0.3387 0.8566 ( 6012 PWs) bands (ev): -20.1615 -20.1615 -20.1601 -20.1601 -7.7898 -7.7795 -7.6666 -7.6648 -7.0084 -6.9958 -6.8860 -6.8812 -5.7835 -5.7390 -5.6714 -5.6262 -4.8772 -4.8605 -4.8408 -4.8381 -4.6982 -4.6979 -4.6673 -4.5846 -3.8468 -3.8417 -3.7264 -3.7119 1.6533 1.6782 1.7467 1.7584 2.4188 2.4312 2.7182 2.7587 3.7627 3.7741 3.8378 3.8465 4.5918 4.6061 4.8324 4.8431 5.0218 5.1734 5.1760 5.1876 5.3891 5.3904 5.5436 5.6712 6.3030 6.3224 6.4889 6.5009 8.9928 9.0091 9.1610 9.1757 9.4861 9.5122 9.7041 9.7077 11.3786 11.3878 11.6025 11.6115 k = 0.3226 0.3226 0.8566 ( 6008 PWs) bands (ev): -20.1616 -20.1616 -20.1600 -20.1600 -7.8012 -7.7907 -7.6581 -7.6563 -7.0085 -6.9938 -6.8775 -6.8721 -5.7814 -5.7327 -5.6626 -5.6121 -4.8805 -4.8640 -4.8397 -4.8351 -4.7246 -4.7239 -4.6876 -4.5990 -3.8468 -3.8420 -3.7105 -3.6962 1.6632 1.6893 1.7696 1.7816 2.3797 2.3931 2.7288 2.7741 3.7410 3.7578 3.8214 3.8282 4.5976 4.6098 4.8698 4.8833 5.0526 5.1806 5.1912 5.2242 5.3731 5.3867 5.5134 5.6302 6.3159 6.3505 6.5112 6.5245 8.9925 9.0073 9.1726 9.1888 9.4749 9.5013 9.7218 9.7257 11.3383 11.3492 11.6011 11.6171 k = 0.3065 0.3065 0.8566 ( 6016 PWs) bands (ev): -20.1618 -20.1618 -20.1599 -20.1599 -7.8128 -7.8022 -7.6490 -7.6473 -7.0080 -6.9912 -6.8695 -6.8635 -5.7781 -5.7254 -5.6539 -5.5979 -4.8840 -4.8686 -4.8398 -4.8320 -4.7510 -4.7499 -4.7082 -4.6149 -3.8464 -3.8420 -3.6946 -3.6806 1.6735 1.7007 1.7920 1.8041 2.3413 2.3556 2.7415 2.7916 3.7188 3.7422 3.8042 3.8098 4.6046 4.6145 4.9064 4.9231 5.0842 5.1727 5.1998 5.2630 5.3695 5.3975 5.4778 5.5843 6.3312 6.3798 6.5341 6.5483 8.9940 9.0063 9.1827 9.2003 9.4659 9.4919 9.7409 9.7450 11.2954 11.3075 11.5950 11.6181 k = 0.2903 0.2903 0.8566 ( 6024 PWs) bands (ev): -20.1619 -20.1619 -20.1597 -20.1597 -7.8246 -7.8140 -7.6395 -7.6378 -7.0070 -6.9882 -6.8618 -6.8554 -5.7735 -5.7170 -5.6453 -5.5835 -4.8879 -4.8745 -4.8424 -4.8290 -4.7760 -4.7754 -4.7287 -4.6320 -3.8457 -3.8417 -3.6787 -3.6653 1.6843 1.7121 1.8130 1.8250 2.3041 2.3192 2.7566 2.8115 3.6963 3.7272 3.7868 3.7920 4.6126 4.6201 4.9405 4.9610 5.1137 5.1549 5.1967 5.3020 5.3831 5.4177 5.4436 5.5368 6.3469 6.4076 6.5571 6.5716 8.9977 9.0067 9.1922 9.2110 9.4590 9.4838 9.7614 9.7655 11.2499 11.2631 11.5830 11.6125 k = 0.2742 0.2742 0.8566 ( 6028 PWs) bands (ev): -20.1621 -20.1621 -20.1596 -20.1596 -7.8364 -7.8259 -7.6296 -7.6279 -7.0055 -6.9848 -6.8547 -6.8478 -5.7676 -5.7078 -5.6368 -5.5692 -4.8923 -4.8825 -4.8503 -4.8262 -4.8015 -4.7945 -4.7484 -4.6502 -3.8445 -3.8410 -3.6630 -3.6503 1.6953 1.7236 1.8319 1.8438 2.2686 2.2842 2.7744 2.8339 3.6740 3.7131 3.7697 3.7754 4.6216 4.6265 4.9689 4.9952 5.1342 5.1350 5.1891 5.3340 5.4015 5.4117 5.4610 5.4915 6.3615 6.4320 6.5796 6.5936 9.0041 9.0092 9.2024 9.2220 9.4544 9.4770 9.7832 9.7872 11.2025 11.2165 11.5648 11.5996 k = 0.2581 0.2581 0.8566 ( 6024 PWs) bands (ev): -20.1622 -20.1622 -20.1594 -20.1594 -7.8480 -7.8378 -7.6193 -7.6178 -7.0036 -6.9811 -6.8481 -6.8409 -5.7605 -5.6976 -5.6285 -5.5549 -4.8976 -4.8938 -4.8653 -4.8297 -4.8199 -4.8058 -4.7663 -4.6693 -3.8429 -3.8399 -3.6476 -3.6358 1.7064 1.7349 1.8482 1.8596 2.2353 2.2512 2.7952 2.8591 3.6523 3.7000 3.7535 3.7604 4.6314 4.6336 4.9850 5.0221 5.1200 5.1378 5.1915 5.3276 5.4057 5.4430 5.4601 5.5017 6.3737 6.4517 6.6012 6.6137 9.0131 9.0142 9.2149 9.2344 9.4520 9.4715 9.8062 9.8099 11.1536 11.1681 11.5403 11.5783 k = 0.2419 0.2419 0.8566 ( 6020 PWs) bands (ev): -20.1624 -20.1624 -20.1593 -20.1593 -7.8594 -7.8496 -7.6089 -7.6074 -7.0013 -6.9772 -6.8422 -6.8346 -5.7520 -5.6867 -5.6204 -5.5408 -4.9105 -4.9046 -4.8835 -4.8511 -4.8189 -4.8124 -4.7809 -4.6891 -3.8408 -3.8384 -3.6328 -3.6219 1.7175 1.7459 1.8612 1.8719 2.2044 2.2202 2.8191 2.8871 3.6316 3.6880 3.7385 3.7471 4.6413 4.6416 4.9807 5.0349 5.1221 5.1325 5.1985 5.2913 5.4220 5.4376 5.4995 5.5486 6.3826 6.4660 6.6213 6.6314 9.0217 9.0243 9.2314 9.2490 9.4524 9.4674 9.8302 9.8336 11.1038 11.1187 11.5087 11.5397 k = 0.2258 0.2258 0.8566 ( 6016 PWs) bands (ev): -20.1625 -20.1625 -20.1592 -20.1592 -7.8705 -7.8611 -7.5983 -7.5970 -6.9986 -6.9733 -6.8368 -6.8290 -5.7422 -5.6751 -5.6125 -5.5270 -4.9329 -4.9148 -4.9011 -4.8707 -4.8189 -4.8166 -4.7904 -4.7093 -3.8384 -3.8365 -3.6186 -3.6086 1.7284 1.7564 1.8707 1.8803 2.1764 2.1916 2.8462 2.9179 3.6122 3.6772 3.7250 3.7354 4.6494 4.6520 4.9584 5.0275 5.1346 5.1392 5.1984 5.2517 5.4101 5.4707 5.5505 5.6000 6.3878 6.4747 6.6395 6.6463 9.0313 9.0367 9.2534 9.2664 9.4564 9.4650 9.8551 9.8581 11.0539 11.0691 11.4580 11.4898 k = 0.2097 0.2097 0.8566 ( 6012 PWs) bands (ev): -20.1627 -20.1627 -20.1590 -20.1590 -7.8812 -7.8723 -7.5877 -7.5866 -6.9956 -6.9693 -6.8320 -6.8240 -5.7311 -5.6629 -5.6049 -5.5138 -4.9583 -4.9300 -4.9187 -4.8853 -4.8269 -4.8146 -4.7945 -4.7294 -3.8356 -3.8342 -3.6050 -3.5960 1.7390 1.7665 1.8765 1.8847 2.1513 2.1654 2.8764 2.9512 3.5944 3.6676 3.7130 3.7255 4.6578 4.6625 4.9274 5.0058 5.1353 5.1628 5.1964 5.2135 5.4122 5.5001 5.6055 5.6551 6.3893 6.4779 6.6553 6.6582 9.0425 9.0494 9.2817 9.2864 9.4652 9.4656 9.8808 9.8833 11.0046 11.0200 11.3845 11.4305 k = 0.1935 0.1935 0.8566 ( 6012 PWs) bands (ev): -20.1628 -20.1628 -20.1589 -20.1589 -7.8914 -7.8831 -7.5773 -7.5763 -6.9923 -6.9654 -6.8279 -6.8197 -5.7188 -5.6503 -5.5975 -5.5012 -4.9846 -4.9492 -4.9373 -4.8957 -4.8352 -4.8135 -4.7954 -4.7487 -3.8326 -3.8316 -3.5922 -3.5842 1.7493 1.7760 1.8790 1.8853 2.1291 2.1415 2.9093 2.9867 3.5784 3.6592 3.7025 3.7172 4.6663 4.6728 4.8934 4.9777 5.1213 5.1779 5.1884 5.2048 5.4220 5.5237 5.6635 5.7132 6.3877 6.4764 6.6669 6.6680 9.0546 9.0617 9.3077 9.3154 9.4698 9.4820 9.9069 9.9089 10.9568 10.9725 11.3098 11.3610 k = 0.1774 0.1774 0.8566 ( 6024 PWs) bands (ev): -20.1630 -20.1630 -20.1588 -20.1587 -7.9010 -7.8933 -7.5670 -7.5662 -6.9889 -6.9617 -6.8243 -6.8160 -5.7052 -5.6374 -5.5904 -5.4895 -5.0105 -4.9704 -4.9567 -4.9040 -4.8427 -4.8142 -4.7949 -4.7660 -3.8293 -3.8287 -3.5802 -3.5731 1.7590 1.7848 1.8784 1.8825 2.1095 2.1198 2.9446 3.0239 3.5644 3.6520 3.6934 3.7103 4.6747 4.6826 4.8590 4.9472 5.0986 5.1463 5.2129 5.2203 5.4333 5.5404 5.7239 5.7737 6.3837 6.4712 6.6720 6.6772 9.0670 9.0733 9.3282 9.3506 9.4826 9.5083 9.9332 9.9349 10.9114 10.9273 11.2390 11.2906 k = 0.1613 0.1613 0.8566 ( 6024 PWs) bands (ev): -20.1631 -20.1631 -20.1586 -20.1586 -7.9100 -7.9029 -7.5571 -7.5564 -6.9852 -6.9583 -6.8212 -6.8130 -5.6906 -5.6245 -5.5835 -5.4790 -5.0352 -4.9918 -4.9763 -4.9121 -4.8493 -4.8185 -4.7939 -4.7789 -3.8259 -3.8257 -3.5690 -3.5629 1.7680 1.7928 1.8755 1.8771 2.0922 2.1001 2.9815 3.0622 3.5523 3.6460 3.6858 3.7048 4.6829 4.6918 4.8259 4.9158 5.0753 5.1186 5.2362 5.2373 5.4425 5.5494 5.7859 5.8360 6.3784 6.4635 6.6734 6.6825 9.0794 9.0844 9.3457 9.3797 9.5105 9.5463 9.9595 9.9608 10.8689 10.8851 11.1733 11.2245 k = 0.1452 0.1452 0.8566 ( 6024 PWs) bands (ev): -20.1633 -20.1632 -20.1585 -20.1585 -7.9183 -7.9118 -7.5477 -7.5471 -6.9814 -6.9551 -6.8187 -6.8106 -5.6748 -5.6117 -5.5769 -5.4700 -5.0582 -5.0128 -4.9953 -4.9210 -4.8550 -4.8277 -4.7926 -4.7856 -3.8225 -3.8224 -3.5588 -3.5536 1.7763 1.8000 1.8700 1.8710 2.0767 2.0822 3.0193 3.1005 3.5423 3.6407 3.6794 3.7003 4.6907 4.7000 4.7950 4.8845 5.0552 5.0953 5.2536 5.2574 5.4477 5.5505 5.8491 5.8994 6.3729 6.4543 6.6706 6.6832 9.0917 9.0952 9.3596 9.3977 9.5572 9.5956 9.9854 9.9865 10.8301 10.8466 11.1137 11.1643 k = 0.1290 0.1290 0.8566 ( 6020 PWs) bands (ev): -20.1634 -20.1634 -20.1584 -20.1584 -7.9258 -7.9200 -7.5389 -7.5384 -6.9776 -6.9524 -6.8165 -6.8087 -5.6582 -5.5992 -5.5706 -5.4630 -5.0791 -5.0330 -5.0132 -4.9314 -4.8600 -4.8394 -4.7912 -4.7879 -3.8192 -3.8190 -3.5496 -3.5451 1.7838 1.8063 1.8621 1.8656 2.0627 2.0659 3.0572 3.1379 3.5344 3.6360 3.6742 3.6968 4.6978 4.7072 4.7673 4.8540 5.0397 5.0766 5.2681 5.2761 5.4482 5.5438 5.9127 5.9634 6.3679 6.4449 6.6635 6.6791 9.1038 9.1060 9.3705 9.4071 9.6185 9.6543 10.0106 10.0116 10.7954 10.8122 11.0612 11.1113 k = 0.1129 0.1129 0.8566 ( 6020 PWs) bands (ev): -20.1635 -20.1635 -20.1583 -20.1583 -7.9325 -7.9273 -7.5308 -7.5304 -6.9737 -6.9502 -6.8147 -6.8074 -5.6407 -5.5874 -5.5647 -5.4583 -5.0975 -5.0521 -5.0291 -4.9436 -4.8644 -4.8505 -4.7899 -4.7882 -3.8161 -3.8157 -3.5414 -3.5377 1.7903 1.8116 1.8541 1.8600 2.0501 2.0512 3.0944 3.1733 3.5289 3.6314 3.6703 3.6939 4.7037 4.7131 4.7436 4.8252 5.0295 5.0625 5.2800 5.2920 5.4447 5.5303 5.9761 6.0272 6.3643 6.4362 6.6518 6.6698 9.1158 9.1169 9.3793 9.4121 9.6883 9.7199 10.0346 10.0359 10.7649 10.7818 11.0166 11.0659 k = 0.0968 0.0968 0.8566 ( 6020 PWs) bands (ev): -20.1636 -20.1636 -20.1582 -20.1582 -7.9383 -7.9339 -7.5234 -7.5232 -6.9699 -6.9485 -6.8132 -6.8065 -5.6225 -5.5765 -5.5590 -5.4564 -5.1129 -5.0699 -5.0424 -4.9578 -4.8683 -4.8599 -4.7886 -4.7878 -3.8131 -3.8127 -3.5342 -3.5311 1.7958 1.8158 1.8469 1.8546 2.0381 2.0386 3.1299 3.2055 3.5258 3.6262 3.6678 3.6915 4.7061 4.7173 4.7268 4.7988 5.0245 5.0529 5.2888 5.3045 5.4382 5.5116 6.0384 6.0901 6.3622 6.4287 6.6355 6.6551 9.1273 9.1276 9.3866 9.4149 9.7623 9.7897 10.0572 10.0591 10.7386 10.7553 10.9805 11.0247 k = 0.0806 0.0806 0.8566 ( 6012 PWs) bands (ev): -20.1637 -20.1637 -20.1581 -20.1581 -7.9432 -7.9395 -7.5171 -7.5169 -6.9661 -6.9474 -6.8119 -6.8059 -5.6039 -5.5668 -5.5538 -5.4577 -5.1252 -5.0862 -5.0526 -4.9734 -4.8716 -4.8670 -4.7876 -4.7871 -3.8104 -3.8099 -3.5280 -3.5256 1.8002 1.8185 1.8410 1.8500 2.0268 2.0283 3.1632 3.2330 3.5257 3.6200 3.6667 3.6892 4.6987 4.7192 4.7232 4.7759 5.0244 5.0476 5.2936 5.3130 5.4308 5.4900 6.0989 6.1511 6.3621 6.4231 6.6144 6.6350 9.1378 9.1381 9.3928 9.4164 9.8370 9.8607 10.0783 10.0812 10.7162 10.7322 10.9504 10.9646 k = 0.0645 0.0645 0.8566 ( 6006 PWs) bands (ev): -20.1637 -20.1637 -20.1581 -20.1581 -7.9472 -7.9443 -7.5117 -7.5116 -6.9625 -6.9469 -6.8108 -6.8058 -5.5851 -5.5585 -5.5490 -5.4623 -5.1342 -5.1009 -5.0591 -4.9896 -4.8744 -4.8722 -4.7866 -4.7863 -3.8080 -3.8076 -3.5229 -3.5211 1.8036 1.8192 1.8374 1.8462 2.0174 2.0194 3.1933 3.2546 3.5287 3.6123 3.6670 3.6870 4.6882 4.7174 4.7263 4.7583 5.0283 5.0460 5.2943 5.3166 5.4244 5.4683 6.1563 6.2086 6.3643 6.4201 6.5890 6.6095 9.1472 9.1478 9.3982 9.4171 9.9085 9.9290 10.0981 10.1026 10.6975 10.7120 10.8997 10.9042 k = 0.0484 0.0484 0.8566 ( 6008 PWs) bands (ev): -20.1638 -20.1638 -20.1580 -20.1580 -7.9503 -7.9481 -7.5074 -7.5074 -6.9591 -6.9470 -6.8098 -6.8059 -5.5668 -5.5518 -5.5445 -5.4702 -5.1400 -5.1137 -5.0616 -5.0057 -4.8767 -4.8758 -4.7859 -4.7857 -3.8061 -3.8057 -3.5189 -3.5176 1.8062 1.8180 1.8362 1.8433 2.0100 2.0120 3.2197 3.2695 3.5349 3.6031 3.6684 3.6847 4.6808 4.7103 4.7301 4.7481 5.0349 5.0471 5.2918 5.3145 5.4203 5.4496 6.2088 6.2594 6.3711 6.4206 6.5597 6.5789 9.1553 9.1559 9.4028 9.4170 9.9719 9.9894 10.1180 10.1240 10.6820 10.6944 10.8392 10.8441 k = 0.0323 0.0323 0.8566 ( 6020 PWs) bands (ev): -20.1638 -20.1638 -20.1580 -20.1580 -7.9524 -7.9509 -7.5044 -7.5043 -6.9560 -6.9478 -6.8089 -6.8062 -5.5511 -5.5470 -5.5387 -5.4810 -5.1426 -5.1245 -5.0601 -5.0210 -4.8784 -4.8781 -4.7854 -4.7853 -3.8046 -3.8044 -3.5160 -3.5151 1.8081 1.8157 1.8365 1.8412 2.0048 2.0064 3.2419 3.2770 3.5441 3.5924 3.6707 3.6821 4.6773 4.6998 4.7335 4.7435 5.0423 5.0497 5.2884 5.3074 5.4188 5.4359 6.2538 6.2958 6.3883 6.4264 6.5276 6.5436 9.1615 9.1620 9.4068 9.4163 10.0207 10.0340 10.1400 10.1460 10.6695 10.6791 10.7888 10.7917 k = 0.0161 0.0161 0.8566 ( 6032 PWs) bands (ev): -20.1638 -20.1638 -20.1580 -20.1580 -7.9535 -7.9528 -7.5025 -7.5025 -6.9532 -6.9491 -6.8081 -6.8067 -5.5443 -5.5440 -5.5256 -5.4944 -5.1422 -5.1330 -5.0548 -5.0347 -4.8795 -4.8794 -4.7850 -4.7850 -3.8037 -3.8036 -3.5142 -3.5137 1.8097 1.8134 1.8374 1.8397 2.0018 2.0027 3.2593 3.2775 3.5554 3.5804 3.6734 3.6794 4.6778 4.6897 4.7365 4.7410 5.0485 5.0518 5.2872 5.2981 5.4195 5.4272 6.2875 6.3104 6.4209 6.4403 6.4947 6.5044 9.1654 9.1657 9.4101 9.4149 10.0506 10.0576 10.1615 10.1651 10.6608 10.6662 10.7554 10.7565 k = 0.0000 0.0000 0.8566 ( 6048 PWs) bands (ev): -20.1639 -20.1639 -20.1580 -20.1580 -7.9536 -7.9536 -7.5019 -7.5019 -6.9509 -6.9509 -6.8074 -6.8074 -5.5430 -5.5430 -5.5096 -5.5096 -5.1389 -5.1389 -5.0461 -5.0461 -4.8798 -4.8798 -4.7849 -4.7849 -3.8033 -3.8033 -3.5134 -3.5134 1.8114 1.8114 1.8385 1.8385 2.0012 2.0012 3.2714 3.2714 3.5679 3.5679 3.6764 3.6764 4.6820 4.6820 4.7389 4.7389 5.0518 5.0518 5.2905 5.2905 5.4221 5.4221 6.3066 6.3066 6.4591 6.4591 6.4671 6.4671 9.1669 9.1669 9.4128 9.4128 10.0623 10.0623 10.1721 10.1721 10.6590 10.6590 10.7441 10.7441 k = 0.0000 0.5000-0.0000 ( 5986 PWs) bands (ev): -20.1896 -20.1896 -20.1896 -20.1896 -8.0191 -8.0191 -8.0157 -8.0157 -6.8707 -6.8707 -6.8538 -6.8538 -5.8015 -5.8015 -5.7345 -5.7345 -4.7861 -4.7861 -4.7772 -4.7772 -4.5403 -4.5403 -4.4907 -4.4907 -3.4052 -3.4052 -3.3966 -3.3966 2.4519 2.4519 2.4552 2.4552 2.8267 2.8267 2.8801 2.8801 4.1064 4.1064 4.1312 4.1312 4.8166 4.8166 4.8413 4.8413 5.1997 5.1997 5.2054 5.2054 5.8898 5.8898 5.9479 5.9479 6.7359 6.7359 6.7435 6.7435 8.5579 8.5579 8.5631 8.5631 8.7640 8.7640 8.8513 8.8513 10.1599 10.1599 10.1602 10.1602 k = 0.0000 0.5000 0.0232 ( 5978 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0187 -8.0187 -8.0152 -8.0152 -6.8714 -6.8714 -6.8531 -6.8531 -5.8025 -5.8025 -5.7331 -5.7331 -4.7877 -4.7877 -4.7769 -4.7769 -4.5428 -4.5428 -4.4884 -4.4884 -3.4067 -3.4067 -3.3961 -3.3961 2.4501 2.4501 2.4543 2.4543 2.8256 2.8256 2.8793 2.8793 4.1045 4.1045 4.1304 4.1304 4.8152 4.8152 4.8414 4.8414 5.1990 5.1990 5.2117 5.2117 5.8867 5.8867 5.9451 5.9451 6.7360 6.7360 6.7443 6.7443 8.5612 8.5612 8.5663 8.5663 8.7663 8.7663 8.8530 8.8530 10.1597 10.1597 10.1613 10.1613 k = 0.0000 0.5000 0.0463 ( 5978 PWs) bands (ev): -20.1894 -20.1894 -20.1894 -20.1894 -8.0174 -8.0174 -8.0138 -8.0138 -6.8733 -6.8733 -6.8511 -6.8511 -5.8055 -5.8055 -5.7291 -5.7291 -4.7917 -4.7917 -4.7768 -4.7768 -4.5490 -4.5490 -4.4826 -4.4826 -3.4106 -3.4106 -3.3953 -3.3953 2.4451 2.4451 2.4513 2.4513 2.8226 2.8226 2.8768 2.8768 4.0988 4.0988 4.1281 4.1281 4.8115 4.8115 4.8412 4.8412 5.2020 5.2020 5.2248 5.2248 5.8776 5.8776 5.9366 5.9366 6.7363 6.7363 6.7467 6.7467 8.5707 8.5707 8.5759 8.5759 8.7733 8.7733 8.8581 8.8581 10.1603 10.1603 10.1635 10.1635 k = 0.0000 0.5000 0.0695 ( 5984 PWs) bands (ev): -20.1891 -20.1891 -20.1891 -20.1891 -8.0153 -8.0153 -8.0114 -8.0114 -6.8758 -6.8758 -6.8485 -6.8485 -5.8097 -5.8097 -5.7232 -5.7232 -4.7972 -4.7972 -4.7777 -4.7777 -4.5570 -4.5570 -4.4753 -4.4753 -3.4159 -3.4159 -3.3953 -3.3953 2.4372 2.4372 2.4458 2.4458 2.8175 2.8175 2.8729 2.8729 4.0899 4.0899 4.1240 4.1240 4.8067 4.8067 4.8401 4.8401 5.2102 5.2102 5.2424 5.2424 5.8629 5.8629 5.9229 5.9229 6.7371 6.7371 6.7500 6.7500 8.5850 8.5850 8.5924 8.5924 8.7852 8.7852 8.8666 8.8666 10.1620 10.1620 10.1667 10.1667 k = 0.0000 0.5000 0.0926 ( 5990 PWs) bands (ev): -20.1888 -20.1888 -20.1888 -20.1888 -8.0124 -8.0124 -8.0081 -8.0081 -6.8786 -6.8786 -6.8455 -6.8455 -5.8147 -5.8147 -5.7157 -5.7157 -4.8039 -4.8039 -4.7801 -4.7801 -4.5655 -4.5655 -4.4676 -4.4676 -3.4223 -3.4223 -3.3961 -3.3961 2.4267 2.4267 2.4377 2.4377 2.8107 2.8107 2.8675 2.8675 4.0782 4.0782 4.1180 4.1180 4.8017 4.8017 4.8379 4.8379 5.2230 5.2230 5.2635 5.2635 5.8432 5.8432 5.9045 5.9045 6.7380 6.7380 6.7539 6.7539 8.6030 8.6030 8.6153 8.6153 8.8023 8.8023 8.8786 8.8786 10.1654 10.1654 10.1714 10.1714 k = 0.0000 0.5000 0.1158 ( 5990 PWs) bands (ev): -20.1883 -20.1883 -20.1883 -20.1883 -8.0086 -8.0086 -8.0039 -8.0039 -6.8815 -6.8815 -6.8424 -6.8424 -5.8200 -5.8200 -5.7073 -5.7073 -4.8116 -4.8116 -4.7840 -4.7840 -4.5738 -4.5738 -4.4603 -4.4603 -3.4297 -3.4297 -3.3981 -3.3981 2.4136 2.4136 2.4270 2.4270 2.8022 2.8022 2.8608 2.8608 4.0643 4.0643 4.1103 4.1103 4.7970 4.7970 4.8346 4.8346 5.2395 5.2395 5.2874 5.2874 5.8193 5.8193 5.8822 5.8822 6.7389 6.7389 6.7580 6.7580 8.6240 8.6240 8.6436 8.6436 8.8249 8.8249 8.8944 8.8944 10.1710 10.1710 10.1779 10.1779 k = 0.0000 0.5000 0.1389 ( 6002 PWs) bands (ev): -20.1878 -20.1878 -20.1878 -20.1878 -8.0040 -8.0040 -7.9988 -7.9988 -6.8845 -6.8845 -6.8393 -6.8393 -5.8253 -5.8253 -5.6980 -5.6980 -4.8205 -4.8205 -4.7893 -4.7893 -4.5815 -4.5815 -4.4537 -4.4537 -3.4380 -3.4380 -3.4011 -3.4011 2.3981 2.3981 2.4138 2.4138 2.7923 2.7923 2.8530 2.8530 4.0484 4.0484 4.1009 4.1009 4.7929 4.7929 4.8305 4.8305 5.2584 5.2584 5.3132 5.3132 5.7921 5.7921 5.8567 5.8567 6.7393 6.7393 6.7620 6.7620 8.6469 8.6469 8.6760 8.6760 8.8533 8.8533 8.9141 8.9141 10.1791 10.1791 10.1870 10.1870 k = 0.0000 0.5000 0.1621 ( 5994 PWs) bands (ev): -20.1871 -20.1871 -20.1871 -20.1871 -7.9986 -7.9986 -7.9929 -7.9929 -6.8874 -6.8874 -6.8363 -6.8363 -5.8305 -5.8305 -5.6882 -5.6882 -4.8305 -4.8305 -4.7957 -4.7957 -4.5883 -4.5883 -4.4481 -4.4481 -3.4471 -3.4471 -3.4054 -3.4054 2.3804 2.3804 2.3982 2.3982 2.7811 2.7811 2.8441 2.8441 4.0311 4.0311 4.0900 4.0900 4.7895 4.7895 4.8260 4.8260 5.2786 5.2786 5.3403 5.3403 5.7624 5.7624 5.8289 5.8289 6.7391 6.7391 6.7656 6.7656 8.6708 8.6708 8.7109 8.7109 8.8873 8.8873 8.9382 8.9382 10.1906 10.1906 10.1991 10.1991 k = 0.0000 0.5000 0.1852 ( 5992 PWs) bands (ev): -20.1864 -20.1864 -20.1864 -20.1864 -7.9924 -7.9924 -7.9863 -7.9863 -6.8903 -6.8903 -6.8335 -6.8335 -5.8353 -5.8353 -5.6778 -5.6778 -4.8417 -4.8417 -4.8030 -4.8030 -4.5944 -4.5944 -4.4436 -4.4436 -3.4570 -3.4570 -3.4107 -3.4107 2.3605 2.3605 2.3803 2.3803 2.7690 2.7690 2.8342 2.8342 4.0127 4.0127 4.0779 4.0779 4.7868 4.7868 4.8214 4.8214 5.2991 5.2991 5.3680 5.3680 5.7310 5.7310 5.7994 5.7994 6.7378 6.7378 6.7687 6.7687 8.6951 8.6951 8.7470 8.7470 8.9263 8.9263 8.9671 8.9671 10.2060 10.2060 10.2149 10.2149 k = 0.0000 0.5000 0.2084 ( 5990 PWs) bands (ev): -20.1856 -20.1856 -20.1856 -20.1856 -7.9855 -7.9855 -7.9788 -7.9788 -6.8932 -6.8932 -6.8309 -6.8309 -5.8397 -5.8397 -5.6671 -5.6671 -4.8541 -4.8541 -4.8107 -4.8107 -4.5998 -4.5998 -4.4403 -4.4403 -3.4676 -3.4676 -3.4172 -3.4172 2.3388 2.3388 2.3602 2.3602 2.7560 2.7560 2.8235 2.8235 3.9935 3.9935 4.0649 4.0649 4.7846 4.7846 4.8171 4.8171 5.3189 5.3189 5.3955 5.3955 5.6989 5.6989 5.7689 5.7689 6.7354 6.7354 6.7710 6.7710 8.7194 8.7194 8.7828 8.7828 8.9693 8.9693 9.0011 9.0011 10.2258 10.2258 10.2352 10.2352 k = 0.0000 0.5000 0.2315 ( 5990 PWs) bands (ev): -20.1847 -20.1847 -20.1847 -20.1847 -7.9779 -7.9779 -7.9707 -7.9707 -6.8960 -6.8960 -6.8286 -6.8286 -5.8435 -5.8435 -5.6562 -5.6562 -4.8678 -4.8678 -4.8184 -4.8184 -4.6047 -4.6047 -4.4383 -4.4383 -3.4789 -3.4789 -3.4249 -3.4249 2.3155 2.3155 2.3383 2.3383 2.7423 2.7423 2.8121 2.8121 3.9738 3.9738 4.0510 4.0510 4.7828 4.7828 4.8131 4.8131 5.3371 5.3371 5.4224 5.4224 5.6668 5.6668 5.7380 5.7380 6.7317 6.7317 6.7726 6.7726 8.7437 8.7437 8.8172 8.8172 9.0146 9.0146 9.0401 9.0401 10.2507 10.2507 10.2604 10.2604 k = 0.0000 0.5000 0.2547 ( 6002 PWs) bands (ev): -20.1838 -20.1838 -20.1838 -20.1838 -7.9696 -7.9696 -7.9619 -7.9619 -6.8988 -6.8988 -6.8266 -6.8266 -5.8467 -5.8467 -5.6450 -5.6450 -4.8826 -4.8826 -4.8260 -4.8260 -4.6092 -4.6092 -4.4377 -4.4377 -3.4908 -3.4908 -3.4336 -3.4336 2.2909 2.2909 2.3148 2.3148 2.7280 2.7280 2.7999 2.7999 3.9540 3.9540 4.0365 4.0365 4.7811 4.7811 4.8098 4.8098 5.3530 5.3530 5.4480 5.4480 5.6357 5.6357 5.7072 5.7072 6.7267 6.7267 6.7731 6.7731 8.7679 8.7679 8.8498 8.8498 9.0607 9.0607 9.0835 9.0835 10.2812 10.2812 10.2912 10.2912 k = 0.0000 0.5000 0.2778 ( 6010 PWs) bands (ev): -20.1828 -20.1828 -20.1828 -20.1828 -7.9608 -7.9608 -7.9525 -7.9525 -6.9015 -6.9015 -6.8250 -6.8250 -5.8492 -5.8492 -5.6336 -5.6336 -4.8982 -4.8982 -4.8332 -4.8332 -4.6135 -4.6135 -4.4385 -4.4385 -3.5033 -3.5033 -3.4434 -3.4434 2.2652 2.2652 2.2900 2.2900 2.7131 2.7131 2.7870 2.7870 3.9342 3.9342 4.0216 4.0216 4.7794 4.7794 4.8071 4.8071 5.3659 5.3659 5.4716 5.4716 5.6066 5.6066 5.6771 5.6771 6.7204 6.7204 6.7724 6.7724 8.7923 8.7923 8.8806 8.8806 9.1065 9.1065 9.1295 9.1295 10.3177 10.3177 10.3279 10.3279 k = 0.0000 0.5000 0.3010 ( 6008 PWs) bands (ev): -20.1817 -20.1817 -20.1817 -20.1817 -7.9513 -7.9513 -7.9426 -7.9426 -6.9041 -6.9041 -6.8239 -6.8239 -5.8509 -5.8509 -5.6222 -5.6222 -4.9144 -4.9144 -4.8400 -4.8400 -4.6177 -4.6177 -4.4406 -4.4406 -3.5162 -3.5162 -3.4542 -3.4542 2.2388 2.2388 2.2642 2.2642 2.6979 2.6979 2.7734 2.7734 3.9146 3.9146 4.0063 4.0063 4.7775 4.7775 4.8051 4.8051 5.3750 5.3750 5.4923 5.4923 5.5811 5.5811 5.6480 5.6480 6.7127 6.7127 6.7704 6.7704 8.8169 8.8169 8.9098 8.9098 9.1512 9.1512 9.1762 9.1762 10.3605 10.3605 10.3710 10.3710 k = 0.0000 0.5000 0.3241 ( 6008 PWs) bands (ev): -20.1806 -20.1806 -20.1806 -20.1806 -7.9414 -7.9414 -7.9321 -7.9321 -6.9067 -6.9067 -6.8232 -6.8232 -5.8518 -5.8518 -5.6108 -5.6108 -4.9307 -4.9307 -4.8463 -4.8463 -4.6222 -4.6222 -4.4441 -4.4441 -3.5296 -3.5296 -3.4659 -3.4659 2.2120 2.2120 2.2376 2.2376 2.6824 2.6824 2.7593 2.7593 3.8954 3.8954 3.9908 3.9908 4.7753 4.7753 4.8037 4.8037 5.3792 5.3792 5.5077 5.5077 5.5623 5.5623 5.6208 5.6208 6.7036 6.7036 6.7669 6.7669 8.8417 8.8417 8.9376 8.9376 9.1938 9.1938 9.2215 9.2215 10.4096 10.4096 10.4206 10.4206 k = 0.0000 0.5000 0.3473 ( 6022 PWs) bands (ev): -20.1795 -20.1795 -20.1795 -20.1795 -7.9310 -7.9310 -7.9213 -7.9213 -6.9092 -6.9092 -6.8230 -6.8230 -5.8518 -5.8518 -5.5996 -5.5996 -4.9470 -4.9470 -4.8520 -4.8520 -4.6268 -4.6268 -4.4490 -4.4490 -3.5433 -3.5433 -3.4785 -3.4785 2.1850 2.1850 2.2106 2.2106 2.6666 2.6666 2.7445 2.7445 3.8767 3.8767 3.9752 3.9752 4.7729 4.7729 4.8026 4.8026 5.3777 5.3777 5.5123 5.5123 5.5552 5.5552 5.5972 5.5972 6.6933 6.6933 6.7618 6.7618 8.8667 8.8667 8.9643 8.9643 9.2336 9.2336 9.2641 9.2641 10.4650 10.4650 10.4766 10.4766 k = 0.0000 0.5000 0.3704 ( 6022 PWs) bands (ev): -20.1783 -20.1783 -20.1783 -20.1783 -7.9202 -7.9202 -7.9101 -7.9101 -6.9116 -6.9116 -6.8233 -6.8233 -5.8509 -5.8509 -5.5886 -5.5886 -4.9628 -4.9628 -4.8572 -4.8572 -4.6319 -4.6319 -4.4553 -4.4553 -3.5572 -3.5572 -3.4918 -3.4918 2.1581 2.1581 2.1835 2.1835 2.6506 2.6506 2.7294 2.7294 3.8586 3.8586 3.9595 3.9595 4.7702 4.7702 4.8018 4.8018 5.3701 5.3701 5.5070 5.5070 5.5525 5.5525 5.5845 5.5845 6.6815 6.6815 6.7548 6.7548 8.8919 8.8919 8.9900 8.9900 9.2697 9.2697 9.3028 9.3028 10.5263 10.5263 10.5390 10.5390 k = 0.0000 0.5000 0.3936 ( 6022 PWs) bands (ev): -20.1771 -20.1771 -20.1771 -20.1771 -7.9092 -7.9092 -7.8986 -7.8986 -6.9138 -6.9138 -6.8242 -6.8242 -5.8490 -5.8490 -5.5779 -5.5779 -4.9780 -4.9780 -4.8618 -4.8618 -4.6373 -4.6373 -4.4629 -4.4629 -3.5713 -3.5713 -3.5058 -3.5058 2.1314 2.1314 2.1565 2.1565 2.6345 2.6345 2.7138 2.7138 3.8411 3.8411 3.9437 3.9437 4.7673 4.7673 4.8010 4.8010 5.3572 5.3572 5.4987 5.4987 5.5402 5.5402 5.5894 5.5894 6.6685 6.6685 6.7461 6.7461 8.9171 8.9171 9.0147 9.0147 9.3014 9.3014 9.3370 9.3370 10.5927 10.5927 10.6071 10.6071 k = 0.0000 0.5000 0.4167 ( 6018 PWs) bands (ev): -20.1759 -20.1759 -20.1759 -20.1759 -7.8979 -7.8979 -7.8870 -7.8870 -6.9160 -6.9160 -6.8256 -6.8256 -5.8462 -5.8462 -5.5678 -5.5678 -4.9921 -4.9921 -4.8658 -4.8658 -4.6433 -4.6433 -4.4718 -4.4718 -3.5855 -3.5855 -3.5204 -3.5204 2.1053 2.1053 2.1297 2.1297 2.6185 2.6185 2.6980 2.6980 3.8243 3.8243 3.9280 3.9280 4.7643 4.7643 4.8001 4.8001 5.3409 5.3409 5.4873 5.4873 5.5291 5.5291 5.6003 5.6003 6.6542 6.6542 6.7354 6.7354 8.9422 8.9422 9.0385 9.0385 9.3284 9.3284 9.3662 9.3662 10.6633 10.6633 10.6803 10.6803 k = 0.0000 0.5000 0.4399 ( 6014 PWs) bands (ev): -20.1747 -20.1747 -20.1747 -20.1747 -7.8865 -7.8865 -7.8752 -7.8752 -6.9181 -6.9181 -6.8276 -6.8276 -5.8424 -5.8424 -5.5584 -5.5584 -5.0050 -5.0050 -4.8691 -4.8691 -4.6498 -4.6498 -4.4820 -4.4820 -3.5997 -3.5997 -3.5354 -3.5354 2.0799 2.0799 2.1035 2.1035 2.6026 2.6026 2.6820 2.6820 3.8081 3.8081 3.9123 3.9123 4.7612 4.7612 4.7989 4.7989 5.3229 5.3229 5.4716 5.4716 5.5242 5.5242 5.6117 5.6117 6.6387 6.6387 6.7230 6.7230 8.9669 8.9669 9.0610 9.0610 9.3505 9.3505 9.3904 9.3904 10.7366 10.7366 10.7575 10.7575 k = 0.0000 0.5000 0.4630 ( 6028 PWs) bands (ev): -20.1734 -20.1734 -20.1734 -20.1734 -7.8750 -7.8750 -7.8634 -7.8634 -6.9200 -6.9200 -6.8301 -6.8301 -5.8376 -5.8376 -5.5499 -5.5499 -5.0164 -5.0164 -4.8718 -4.8718 -4.6569 -4.6569 -4.4933 -4.4933 -3.6138 -3.6138 -3.5507 -3.5507 2.0552 2.0552 2.0780 2.0780 2.5870 2.5870 2.6660 2.6660 3.7926 3.7926 3.8967 3.8967 4.7581 4.7581 4.7973 4.7973 5.3046 5.3046 5.4537 5.4537 5.5239 5.5239 5.6227 5.6227 6.6220 6.6220 6.7088 6.7088 8.9910 8.9910 9.0822 9.0822 9.3677 9.3677 9.4097 9.4097 10.8109 10.8109 10.8368 10.8368 k = 0.0000 0.5000 0.4862 ( 6028 PWs) bands (ev): -20.1722 -20.1722 -20.1722 -20.1722 -7.8635 -7.8635 -7.8517 -7.8517 -6.9217 -6.9217 -6.8331 -6.8331 -5.8319 -5.8319 -5.5424 -5.5424 -5.0260 -5.0260 -4.8738 -4.8738 -4.6646 -4.6646 -4.5058 -4.5058 -3.6277 -3.6277 -3.5662 -3.5662 2.0316 2.0316 2.0534 2.0534 2.5717 2.5717 2.6501 2.6501 3.7778 3.7778 3.8812 3.8812 4.7548 4.7548 4.7954 4.7954 5.2870 5.2870 5.4356 5.4356 5.5260 5.5260 5.6329 5.6329 6.6044 6.6044 6.6931 6.6931 9.0141 9.0141 9.1018 9.1018 9.3803 9.3803 9.4243 9.4243 10.8840 10.8840 10.9161 10.9161 k = 0.0000 0.5000 0.5093 ( 6016 PWs) bands (ev): -20.1711 -20.1711 -20.1711 -20.1711 -7.8521 -7.8521 -7.8402 -7.8402 -6.9232 -6.9232 -6.8365 -6.8365 -5.8253 -5.8253 -5.5362 -5.5362 -5.0336 -5.0336 -4.8751 -4.8751 -4.6729 -4.6729 -4.5194 -4.5194 -3.6412 -3.6412 -3.5818 -3.5818 2.0091 2.0091 2.0297 2.0297 2.5569 2.5569 2.6344 2.6344 3.7637 3.7637 3.8658 3.8658 4.7515 4.7515 4.7930 4.7930 5.2706 5.2706 5.4180 5.4180 5.5293 5.5293 5.6424 5.6424 6.5860 6.5860 6.6761 6.6761 9.0360 9.0360 9.1197 9.1197 9.3888 9.3888 9.4348 9.4348 10.9538 10.9538 10.9924 10.9924 k = 0.0000 0.5000 0.5325 ( 6012 PWs) bands (ev): -20.1699 -20.1699 -20.1699 -20.1699 -7.8409 -7.8409 -7.8289 -7.8289 -6.9245 -6.9245 -6.8403 -6.8403 -5.8178 -5.8178 -5.5314 -5.5314 -5.0389 -5.0389 -4.8757 -4.8757 -4.6818 -4.6818 -4.5338 -4.5338 -3.6542 -3.6542 -3.5973 -3.5973 1.9877 1.9877 2.0071 2.0071 2.5427 2.5427 2.6192 2.6192 3.7504 3.7504 3.8506 3.8506 4.7481 4.7481 4.7901 4.7901 5.2558 5.2558 5.4015 5.4015 5.5334 5.5334 5.6511 5.6511 6.5670 6.5670 6.6580 6.6580 9.0563 9.0563 9.1357 9.1357 9.3936 9.3936 9.4417 9.4417 11.0186 11.0186 11.0626 11.0626 k = 0.0000 0.5000 0.5556 ( 6020 PWs) bands (ev): -20.1688 -20.1688 -20.1688 -20.1688 -7.8300 -7.8300 -7.8179 -7.8179 -6.9256 -6.9256 -6.8446 -6.8446 -5.8095 -5.8095 -5.5282 -5.5282 -5.0419 -5.0419 -4.8755 -4.8755 -4.6913 -4.6913 -4.5492 -4.5492 -3.6668 -3.6668 -3.6126 -3.6126 1.9676 1.9676 1.9858 1.9858 2.5293 2.5293 2.6044 2.6044 3.7377 3.7377 3.8357 3.8357 4.7446 4.7446 4.7867 4.7867 5.2431 5.2431 5.3862 5.3862 5.5378 5.5378 5.6590 5.6590 6.5476 6.5476 6.6393 6.6393 9.0746 9.0746 9.1495 9.1495 9.3954 9.3954 9.4457 9.4457 11.0773 11.0773 11.1249 11.1249 k = 0.0000 0.5000 0.5788 ( 6012 PWs) bands (ev): -20.1677 -20.1677 -20.1677 -20.1677 -7.8194 -7.8194 -7.8073 -7.8073 -6.9264 -6.9264 -6.8491 -6.8491 -5.8006 -5.8006 -5.5266 -5.5266 -5.0424 -5.0424 -4.8747 -4.8747 -4.7014 -4.7014 -4.5653 -4.5653 -3.6787 -3.6787 -3.6275 -3.6275 1.9488 1.9488 1.9657 1.9657 2.5166 2.5166 2.5903 2.5903 3.7258 3.7258 3.8212 3.8212 4.7411 4.7411 4.7828 4.7828 5.2325 5.2325 5.3722 5.3722 5.5425 5.5425 5.6663 5.6663 6.5281 6.5281 6.6202 6.6202 9.0906 9.0906 9.1611 9.1611 9.3950 9.3950 9.4473 9.4473 11.1303 11.1303 11.1795 11.1795 k = 0.0000 0.5000 0.6019 ( 6016 PWs) bands (ev): -20.1667 -20.1667 -20.1667 -20.1667 -7.8093 -7.8093 -7.7973 -7.7973 -6.9269 -6.9269 -6.8538 -6.8538 -5.7910 -5.7910 -5.5267 -5.5267 -5.0405 -5.0405 -4.8732 -4.8732 -4.7120 -4.7120 -4.5820 -4.5820 -3.6898 -3.6898 -3.6420 -3.6420 1.9314 1.9314 1.9470 1.9470 2.5048 2.5048 2.5769 2.5769 3.7147 3.7147 3.8071 3.8071 4.7376 4.7376 4.7784 4.7784 5.2241 5.2241 5.3593 5.3593 5.5473 5.5473 5.6728 5.6728 6.5089 6.5089 6.6012 6.6012 9.1042 9.1042 9.1702 9.1702 9.3932 9.3932 9.4472 9.4472 11.1784 11.1784 11.2279 11.2279 k = 0.0000 0.5000 0.6251 ( 6024 PWs) bands (ev): -20.1658 -20.1658 -20.1658 -20.1658 -7.7997 -7.7997 -7.7878 -7.7878 -6.9270 -6.9270 -6.8588 -6.8588 -5.7810 -5.7810 -5.5284 -5.5284 -5.0361 -5.0361 -4.8710 -4.8710 -4.7231 -4.7231 -4.5991 -4.5991 -3.7001 -3.7001 -3.6559 -3.6559 1.9154 1.9154 1.9297 1.9297 2.4940 2.4940 2.5644 2.5644 3.7045 3.7045 3.7936 3.7936 4.7341 4.7341 4.7736 4.7736 5.2180 5.2180 5.3478 5.3478 5.5521 5.5521 5.6786 5.6786 6.4900 6.4900 6.5824 6.5824 9.1152 9.1152 9.1768 9.1768 9.3908 9.3908 9.4460 9.4460 11.2227 11.2227 11.2720 11.2720 k = 0.0000 0.5000 0.6482 ( 6024 PWs) bands (ev): -20.1649 -20.1649 -20.1649 -20.1649 -7.7908 -7.7908 -7.7790 -7.7790 -6.9268 -6.9268 -6.8638 -6.8638 -5.7705 -5.7705 -5.5316 -5.5316 -5.0294 -5.0294 -4.8682 -4.8682 -4.7345 -4.7345 -4.6166 -4.6166 -3.7095 -3.7095 -3.6691 -3.6691 1.9008 1.9008 1.9139 1.9139 2.4842 2.4842 2.5528 2.5528 3.6951 3.6951 3.7807 3.7807 4.7307 4.7307 4.7684 4.7684 5.2141 5.2141 5.3373 5.3373 5.5567 5.5567 5.6836 5.6836 6.4720 6.4720 6.5645 6.5645 9.1236 9.1236 9.1808 9.1808 9.3886 9.3886 9.4439 9.4439 11.2640 11.2640 11.3132 11.3132 k = 0.0000 0.5000 0.6714 ( 6018 PWs) bands (ev): -20.1641 -20.1641 -20.1641 -20.1641 -7.7825 -7.7825 -7.7710 -7.7710 -6.9263 -6.9263 -6.8690 -6.8690 -5.7598 -5.7598 -5.5362 -5.5362 -5.0207 -5.0207 -4.8650 -4.8650 -4.7462 -4.7462 -4.6341 -4.6341 -3.7179 -3.7179 -3.6814 -3.6814 1.8878 1.8878 1.8997 1.8997 2.4754 2.4754 2.5422 2.5422 3.6867 3.6867 3.7687 3.7687 4.7274 4.7274 4.7631 4.7631 5.2123 5.2123 5.3279 5.3279 5.5612 5.5612 5.6878 5.6878 6.4550 6.4550 6.5475 6.5475 9.1298 9.1298 9.1823 9.1823 9.3871 9.3871 9.4413 9.4413 11.3027 11.3027 11.3520 11.3520 k = 0.0000 0.5000 0.6945 ( 6008 PWs) bands (ev): -20.1633 -20.1633 -20.1633 -20.1633 -7.7750 -7.7750 -7.7637 -7.7637 -6.9254 -6.9254 -6.8741 -6.8741 -5.7491 -5.7491 -5.5418 -5.5418 -5.0101 -5.0101 -4.8615 -4.8615 -4.7578 -4.7578 -4.6516 -4.6516 -3.7251 -3.7251 -3.6929 -3.6929 1.8762 1.8762 1.8869 1.8869 2.4677 2.4677 2.5326 2.5326 3.6792 3.6792 3.7576 3.7576 4.7243 4.7243 4.7578 4.7578 5.2124 5.2124 5.3194 5.3194 5.5653 5.5653 5.6912 5.6912 6.4394 6.4394 6.5319 6.5319 9.1340 9.1340 9.1814 9.1814 9.3867 9.3867 9.4384 9.4384 11.3388 11.3388 11.3885 11.3885 k = 0.0000 0.5000 0.7177 ( 6020 PWs) bands (ev): -20.1627 -20.1627 -20.1627 -20.1627 -7.7683 -7.7683 -7.7573 -7.7573 -6.9242 -6.9242 -6.8791 -6.8791 -5.7384 -5.7384 -5.5482 -5.5482 -4.9981 -4.9981 -4.8582 -4.8582 -4.7690 -4.7690 -4.6686 -4.6686 -3.7313 -3.7313 -3.7033 -3.7033 1.8662 1.8662 1.8758 1.8758 2.4610 2.4610 2.5242 2.5242 3.6727 3.6727 3.7475 3.7475 4.7215 4.7215 4.7526 4.7526 5.2140 5.2140 5.3117 5.3117 5.5691 5.5691 5.6939 5.6939 6.4253 6.4253 6.5179 6.5179 9.1368 9.1368 9.1785 9.1785 9.3875 9.3875 9.4353 9.4353 11.3720 11.3720 11.4225 11.4225 k = 0.0000 0.5000 0.7408 ( 6022 PWs) bands (ev): -20.1621 -20.1621 -20.1621 -20.1621 -7.7626 -7.7626 -7.7518 -7.7518 -6.9226 -6.9226 -6.8840 -6.8840 -5.7282 -5.7282 -5.5551 -5.5551 -4.9849 -4.9849 -4.8558 -4.8558 -4.7790 -4.7790 -4.6851 -4.6851 -3.7362 -3.7362 -3.7126 -3.7126 1.8577 1.8577 1.8664 1.8664 2.4554 2.4554 2.5170 2.5170 3.6673 3.6673 3.7387 3.7387 4.7190 4.7190 4.7477 4.7477 5.2169 5.2169 5.3047 5.3047 5.5725 5.5725 5.6959 5.6959 6.4130 6.4130 6.5057 6.5057 9.1386 9.1386 9.1741 9.1741 9.3894 9.3894 9.4321 9.4321 11.4018 11.4018 11.4532 11.4532 k = 0.0000 0.5000 0.7640 ( 6046 PWs) bands (ev): -20.1617 -20.1617 -20.1617 -20.1617 -7.7578 -7.7578 -7.7473 -7.7473 -6.9206 -6.9206 -6.8887 -6.8887 -5.7187 -5.7187 -5.5620 -5.5620 -4.9710 -4.9710 -4.8555 -4.8555 -4.7867 -4.7867 -4.7005 -4.7005 -3.7398 -3.7398 -3.7208 -3.7208 1.8508 1.8508 1.8585 1.8585 2.4509 2.4509 2.5111 2.5111 3.6628 3.6628 3.7312 3.7312 4.7169 4.7169 4.7434 4.7434 5.2207 5.2207 5.2984 5.2984 5.5754 5.5754 5.6972 5.6972 6.4027 6.4027 6.4955 6.4955 9.1400 9.1400 9.1689 9.1689 9.3920 9.3920 9.4288 9.4288 11.4275 11.4275 11.4799 11.4799 k = 0.0000 0.5000 0.7871 ( 6056 PWs) bands (ev): -20.1613 -20.1613 -20.1613 -20.1613 -7.7540 -7.7540 -7.7437 -7.7437 -6.9185 -6.9185 -6.8931 -6.8931 -5.7103 -5.7103 -5.5684 -5.5684 -4.9570 -4.9570 -4.8582 -4.8582 -4.7908 -4.7908 -4.7144 -4.7144 -3.7422 -3.7422 -3.7277 -3.7277 1.8454 1.8454 1.8524 1.8524 2.4474 2.4474 2.5064 2.5064 3.6594 3.6594 3.7252 3.7252 4.7153 4.7153 4.7398 4.7398 5.2247 5.2247 5.2928 5.2928 5.5778 5.5778 5.6980 5.6980 6.3945 6.3945 6.4874 6.4874 9.1415 9.1415 9.1634 9.1634 9.3951 9.3951 9.4256 9.4256 11.4484 11.4484 11.5019 11.5019 k = 0.0000 0.5000 0.8103 ( 6064 PWs) bands (ev): -20.1611 -20.1611 -20.1611 -20.1611 -7.7512 -7.7512 -7.7412 -7.7412 -6.9161 -6.9161 -6.8970 -6.8970 -5.7036 -5.7036 -5.5737 -5.5737 -4.9438 -4.9438 -4.8640 -4.8640 -4.7912 -4.7912 -4.7261 -4.7261 -3.7433 -3.7433 -3.7333 -3.7333 1.8416 1.8416 1.8480 1.8480 2.4449 2.4449 2.5030 2.5030 3.6570 3.6570 3.7209 3.7209 4.7141 4.7141 4.7371 4.7371 5.2285 5.2285 5.2881 5.2881 5.5795 5.5795 5.6985 5.6985 6.3886 6.3886 6.4816 6.4816 9.1433 9.1433 9.1580 9.1580 9.3982 9.3982 9.4227 9.4227 11.4639 11.4639 11.5182 11.5182 k = 0.0000 0.5000 0.8334 ( 6056 PWs) bands (ev): -20.1609 -20.1609 -20.1609 -20.1609 -7.7496 -7.7496 -7.7396 -7.7396 -6.9141 -6.9141 -6.9000 -6.9000 -5.6992 -5.6992 -5.5773 -5.5773 -4.9335 -4.9335 -4.8705 -4.8705 -4.7898 -4.7898 -4.7344 -4.7344 -3.7433 -3.7433 -3.7374 -3.7374 1.8393 1.8393 1.8454 1.8454 2.4434 2.4434 2.5010 2.5010 3.6556 3.6556 3.7182 3.7182 4.7134 4.7134 4.7354 4.7354 5.2313 5.2313 5.2850 5.2850 5.5806 5.5806 5.6987 5.6987 6.3850 6.3850 6.4781 6.4781 9.1457 9.1457 9.1532 9.1532 9.4007 9.4007 9.4204 9.4204 11.4734 11.4734 11.5283 11.5283 k = 0.0000 0.5000 0.8566 ( 6048 PWs) bands (ev): -20.1609 -20.1609 -20.1609 -20.1609 -7.7490 -7.7490 -7.7391 -7.7391 -6.9131 -6.9131 -6.9013 -6.9013 -5.6977 -5.6977 -5.5785 -5.5785 -4.9292 -4.9292 -4.8735 -4.8735 -4.7889 -4.7889 -4.7375 -4.7375 -3.7427 -3.7427 -3.7392 -3.7392 1.8385 1.8385 1.8445 1.8445 2.4429 2.4429 2.5003 2.5003 3.6551 3.6551 3.7173 3.7173 4.7132 4.7132 4.7348 4.7348 5.2324 5.2324 5.2838 5.2838 5.5810 5.5810 5.6988 5.6988 6.3838 6.3838 6.4769 6.4769 9.1485 9.1485 9.1496 9.1496 9.4017 9.4017 9.4194 9.4194 11.4766 11.4766 11.5317 11.5317 k = 0.5000 0.5000-0.0000 ( 5984 PWs) bands (ev): -20.1895 -20.1895 -20.1895 -20.1895 -8.0976 -8.0976 -8.0976 -8.0976 -6.7147 -6.7147 -6.7147 -6.7147 -5.6619 -5.6619 -5.6619 -5.6619 -4.8844 -4.8844 -4.8844 -4.8844 -4.7087 -4.7087 -4.7087 -4.7087 -3.2532 -3.2532 -3.2532 -3.2532 1.9897 1.9897 1.9897 1.9897 3.6200 3.6200 3.6200 3.6200 3.7322 3.7322 3.7322 3.7322 5.1331 5.1331 5.1331 5.1331 5.4100 5.4100 5.4100 5.4100 5.8018 5.8018 5.8018 5.8018 6.2081 6.2081 6.2081 6.2081 8.2693 8.2693 8.2693 8.2693 8.8603 8.8603 8.8603 8.8603 10.5962 10.5962 10.5962 10.5962 k = 0.5000 0.5000 0.0232 ( 5976 PWs) bands (ev): -20.1894 -20.1894 -20.1894 -20.1894 -8.0970 -8.0970 -8.0970 -8.0970 -6.7151 -6.7151 -6.7151 -6.7151 -5.6620 -5.6620 -5.6620 -5.6620 -4.8843 -4.8843 -4.8843 -4.8843 -4.7085 -4.7085 -4.7085 -4.7085 -3.2542 -3.2542 -3.2542 -3.2542 1.9898 1.9898 1.9898 1.9898 3.6170 3.6170 3.6170 3.6170 3.7311 3.7311 3.7311 3.7311 5.1358 5.1358 5.1358 5.1358 5.4083 5.4083 5.4083 5.4083 5.8003 5.8003 5.8003 5.8003 6.2076 6.2076 6.2076 6.2076 8.2702 8.2702 8.2702 8.2702 8.8656 8.8656 8.8656 8.8656 10.5981 10.5981 10.5981 10.5981 k = 0.5000 0.5000 0.0463 ( 5976 PWs) bands (ev): -20.1893 -20.1893 -20.1893 -20.1893 -8.0953 -8.0953 -8.0953 -8.0953 -6.7163 -6.7163 -6.7163 -6.7163 -5.6624 -5.6624 -5.6624 -5.6624 -4.8839 -4.8839 -4.8839 -4.8839 -4.7078 -4.7078 -4.7078 -4.7078 -3.2575 -3.2575 -3.2575 -3.2575 1.9900 1.9900 1.9900 1.9900 3.6082 3.6082 3.6082 3.6082 3.7280 3.7280 3.7280 3.7280 5.1438 5.1438 5.1438 5.1438 5.4032 5.4032 5.4032 5.4032 5.7958 5.7958 5.7958 5.7958 6.2065 6.2065 6.2065 6.2065 8.2730 8.2730 8.2730 8.2730 8.8811 8.8811 8.8811 8.8811 10.6037 10.6037 10.6037 10.6037 k = 0.5000 0.5000 0.0695 ( 5968 PWs) bands (ev): -20.1890 -20.1890 -20.1890 -20.1890 -8.0925 -8.0925 -8.0925 -8.0925 -6.7182 -6.7182 -6.7182 -6.7182 -5.6631 -5.6631 -5.6631 -5.6631 -4.8834 -4.8834 -4.8834 -4.8834 -4.7068 -4.7068 -4.7068 -4.7068 -3.2629 -3.2629 -3.2629 -3.2629 1.9904 1.9904 1.9904 1.9904 3.5935 3.5935 3.5935 3.5935 3.7231 3.7231 3.7231 3.7231 5.1567 5.1567 5.1567 5.1567 5.3948 5.3948 5.3948 5.3948 5.7883 5.7883 5.7883 5.7883 6.2049 6.2049 6.2049 6.2049 8.2776 8.2776 8.2776 8.2776 8.9065 8.9065 8.9065 8.9065 10.6131 10.6131 10.6131 10.6131 k = 0.5000 0.5000 0.0926 ( 5972 PWs) bands (ev): -20.1887 -20.1887 -20.1887 -20.1887 -8.0885 -8.0885 -8.0885 -8.0885 -6.7209 -6.7209 -6.7209 -6.7209 -5.6640 -5.6640 -5.6640 -5.6640 -4.8826 -4.8826 -4.8826 -4.8826 -4.7052 -4.7052 -4.7052 -4.7052 -3.2705 -3.2705 -3.2705 -3.2705 1.9907 1.9907 1.9907 1.9907 3.5735 3.5735 3.5735 3.5735 3.7167 3.7167 3.7167 3.7167 5.1736 5.1736 5.1736 5.1736 5.3834 5.3834 5.3834 5.3834 5.7777 5.7777 5.7777 5.7777 6.2033 6.2033 6.2033 6.2033 8.2842 8.2842 8.2842 8.2842 8.9408 8.9408 8.9408 8.9408 10.6264 10.6264 10.6264 10.6264 k = 0.5000 0.5000 0.1158 ( 5988 PWs) bands (ev): -20.1882 -20.1882 -20.1882 -20.1882 -8.0834 -8.0834 -8.0834 -8.0834 -6.7244 -6.7244 -6.7244 -6.7244 -5.6651 -5.6651 -5.6651 -5.6651 -4.8816 -4.8816 -4.8816 -4.8816 -4.7033 -4.7033 -4.7033 -4.7033 -3.2801 -3.2801 -3.2801 -3.2801 1.9910 1.9910 1.9910 1.9910 3.5484 3.5484 3.5484 3.5484 3.7092 3.7092 3.7092 3.7092 5.1936 5.1936 5.1936 5.1936 5.3693 5.3693 5.3693 5.3693 5.7642 5.7642 5.7642 5.7642 6.2021 6.2021 6.2021 6.2021 8.2929 8.2929 8.2929 8.2929 8.9831 8.9831 8.9831 8.9831 10.6437 10.6437 10.6437 10.6437 k = 0.5000 0.5000 0.1389 ( 5988 PWs) bands (ev): -20.1877 -20.1877 -20.1877 -20.1877 -8.0773 -8.0773 -8.0773 -8.0773 -6.7286 -6.7286 -6.7286 -6.7286 -5.6665 -5.6665 -5.6665 -5.6665 -4.8804 -4.8804 -4.8804 -4.8804 -4.7009 -4.7009 -4.7009 -4.7009 -3.2917 -3.2917 -3.2917 -3.2917 1.9910 1.9910 1.9910 1.9910 3.5190 3.5190 3.5190 3.5190 3.7008 3.7008 3.7008 3.7008 5.2153 5.2153 5.2153 5.2153 5.3532 5.3532 5.3532 5.3532 5.7479 5.7479 5.7479 5.7479 6.2019 6.2019 6.2019 6.2019 8.3039 8.3039 8.3039 8.3039 9.0320 9.0320 9.0320 9.0320 10.6652 10.6652 10.6652 10.6652 k = 0.5000 0.5000 0.1621 ( 5988 PWs) bands (ev): -20.1871 -20.1871 -20.1871 -20.1871 -8.0701 -8.0701 -8.0701 -8.0701 -6.7335 -6.7335 -6.7335 -6.7335 -5.6681 -5.6681 -5.6681 -5.6681 -4.8791 -4.8791 -4.8791 -4.8791 -4.6980 -4.6980 -4.6980 -4.6980 -3.3051 -3.3051 -3.3051 -3.3051 1.9907 1.9907 1.9907 1.9907 3.4860 3.4860 3.4860 3.4860 3.6916 3.6916 3.6916 3.6916 5.2366 5.2366 5.2366 5.2366 5.3366 5.3366 5.3366 5.3366 5.7292 5.7292 5.7292 5.7292 6.2028 6.2028 6.2028 6.2028 8.3172 8.3172 8.3172 8.3172 9.0862 9.0862 9.0862 9.0862 10.6911 10.6911 10.6911 10.6911 k = 0.5000 0.5000 0.1852 ( 6004 PWs) bands (ev): -20.1863 -20.1863 -20.1863 -20.1863 -8.0618 -8.0618 -8.0618 -8.0618 -6.7392 -6.7392 -6.7392 -6.7392 -5.6699 -5.6699 -5.6699 -5.6699 -4.8776 -4.8776 -4.8776 -4.8776 -4.6947 -4.6947 -4.6947 -4.6947 -3.3204 -3.3204 -3.3204 -3.3204 1.9898 1.9898 1.9898 1.9898 3.4501 3.4501 3.4501 3.4501 3.6821 3.6821 3.6821 3.6821 5.2524 5.2524 5.2524 5.2524 5.3238 5.3238 5.3238 5.3238 5.7085 5.7085 5.7085 5.7085 6.2050 6.2050 6.2050 6.2050 8.3330 8.3330 8.3330 8.3330 9.1441 9.1441 9.1441 9.1441 10.7214 10.7214 10.7214 10.7214 k = 0.5000 0.5000 0.2084 ( 5972 PWs) bands (ev): -20.1855 -20.1855 -20.1855 -20.1855 -8.0526 -8.0526 -8.0526 -8.0526 -6.7455 -6.7455 -6.7455 -6.7455 -5.6720 -5.6720 -5.6720 -5.6720 -4.8760 -4.8760 -4.8760 -4.8760 -4.6909 -4.6909 -4.6909 -4.6909 -3.3373 -3.3373 -3.3373 -3.3373 1.9882 1.9882 1.9882 1.9882 3.4121 3.4121 3.4121 3.4121 3.6723 3.6723 3.6723 3.6723 5.2522 5.2522 5.2522 5.2522 5.3246 5.3246 5.3246 5.3246 5.6864 5.6864 5.6864 5.6864 6.2086 6.2086 6.2086 6.2086 8.3515 8.3515 8.3515 8.3515 9.2043 9.2043 9.2043 9.2043 10.7562 10.7562 10.7562 10.7562 k = 0.5000 0.5000 0.2315 ( 5988 PWs) bands (ev): -20.1847 -20.1847 -20.1847 -20.1847 -8.0424 -8.0424 -8.0424 -8.0424 -6.7525 -6.7525 -6.7525 -6.7525 -5.6742 -5.6742 -5.6742 -5.6742 -4.8742 -4.8742 -4.8742 -4.8742 -4.6867 -4.6867 -4.6867 -4.6867 -3.3557 -3.3557 -3.3557 -3.3557 1.9856 1.9856 1.9856 1.9856 3.3725 3.3725 3.3725 3.3725 3.6625 3.6625 3.6625 3.6625 5.2351 5.2351 5.2351 5.2351 5.3395 5.3395 5.3395 5.3395 5.6636 5.6636 5.6636 5.6636 6.2133 6.2133 6.2133 6.2133 8.3726 8.3726 8.3726 8.3726 9.2652 9.2652 9.2652 9.2652 10.7955 10.7955 10.7955 10.7955 k = 0.5000 0.5000 0.2547 ( 5980 PWs) bands (ev): -20.1837 -20.1837 -20.1837 -20.1837 -8.0313 -8.0313 -8.0313 -8.0313 -6.7601 -6.7601 -6.7601 -6.7601 -5.6766 -5.6766 -5.6766 -5.6766 -4.8724 -4.8724 -4.8724 -4.8724 -4.6820 -4.6820 -4.6820 -4.6820 -3.3755 -3.3755 -3.3755 -3.3755 1.9819 1.9819 1.9819 1.9819 3.3319 3.3319 3.3319 3.3319 3.6531 3.6531 3.6531 3.6531 5.2102 5.2102 5.2102 5.2102 5.3586 5.3586 5.3586 5.3586 5.6409 5.6409 5.6409 5.6409 6.2190 6.2190 6.2190 6.2190 8.3963 8.3963 8.3963 8.3963 9.3256 9.3256 9.3256 9.3256 10.8391 10.8391 10.8391 10.8391 k = 0.5000 0.5000 0.2778 ( 5988 PWs) bands (ev): -20.1827 -20.1827 -20.1827 -20.1827 -8.0194 -8.0194 -8.0194 -8.0194 -6.7682 -6.7682 -6.7682 -6.7682 -5.6792 -5.6792 -5.6792 -5.6792 -4.8706 -4.8706 -4.8706 -4.8706 -4.6769 -4.6769 -4.6769 -4.6769 -3.3966 -3.3966 -3.3966 -3.3966 1.9768 1.9768 1.9768 1.9768 3.2909 3.2909 3.2909 3.2909 3.6445 3.6445 3.6445 3.6445 5.1817 5.1817 5.1817 5.1817 5.3771 5.3771 5.3771 5.3771 5.6189 5.6189 5.6189 5.6189 6.2256 6.2256 6.2256 6.2256 8.4227 8.4227 8.4227 8.4227 9.3840 9.3840 9.3840 9.3840 10.8864 10.8864 10.8864 10.8864 k = 0.5000 0.5000 0.3010 ( 5996 PWs) bands (ev): -20.1816 -20.1816 -20.1816 -20.1816 -8.0066 -8.0066 -8.0066 -8.0066 -6.7769 -6.7769 -6.7769 -6.7769 -5.6819 -5.6819 -5.6819 -5.6819 -4.8686 -4.8686 -4.8686 -4.8686 -4.6714 -4.6714 -4.6714 -4.6714 -3.4187 -3.4187 -3.4187 -3.4187 1.9702 1.9702 1.9702 1.9702 3.2497 3.2497 3.2497 3.2497 3.6368 3.6368 3.6368 3.6368 5.1512 5.1512 5.1512 5.1512 5.3927 5.3927 5.3927 5.3927 5.5987 5.5987 5.5987 5.5987 6.2328 6.2328 6.2328 6.2328 8.4515 8.4515 8.4515 8.4515 9.4394 9.4394 9.4394 9.4394 10.9368 10.9368 10.9368 10.9368 k = 0.5000 0.5000 0.3241 ( 5972 PWs) bands (ev): -20.1805 -20.1805 -20.1805 -20.1805 -7.9932 -7.9932 -7.9932 -7.9932 -6.7861 -6.7861 -6.7861 -6.7861 -5.6848 -5.6848 -5.6848 -5.6848 -4.8667 -4.8667 -4.8667 -4.8667 -4.6655 -4.6655 -4.6655 -4.6655 -3.4417 -3.4417 -3.4417 -3.4417 1.9620 1.9620 1.9620 1.9620 3.2088 3.2088 3.2088 3.2088 3.6306 3.6306 3.6306 3.6306 5.1193 5.1193 5.1193 5.1193 5.4039 5.4039 5.4039 5.4039 5.5815 5.5815 5.5815 5.5815 6.2403 6.2403 6.2403 6.2403 8.4826 8.4826 8.4826 8.4826 9.4909 9.4909 9.4909 9.4909 10.9892 10.9892 10.9892 10.9892 k = 0.5000 0.5000 0.3473 ( 5972 PWs) bands (ev): -20.1794 -20.1794 -20.1794 -20.1794 -7.9791 -7.9791 -7.9791 -7.9791 -6.7958 -6.7958 -6.7958 -6.7958 -5.6878 -5.6878 -5.6878 -5.6878 -4.8649 -4.8649 -4.8649 -4.8649 -4.6592 -4.6592 -4.6592 -4.6592 -3.4655 -3.4655 -3.4655 -3.4655 1.9519 1.9519 1.9519 1.9519 3.1685 3.1685 3.1685 3.1685 3.6261 3.6261 3.6261 3.6261 5.0864 5.0864 5.0864 5.0864 5.4091 5.4091 5.4091 5.4091 5.5685 5.5685 5.5685 5.5685 6.2481 6.2481 6.2481 6.2481 8.5156 8.5156 8.5156 8.5156 9.5377 9.5377 9.5377 9.5377 11.0420 11.0420 11.0420 11.0420 k = 0.5000 0.5000 0.3704 ( 5956 PWs) bands (ev): -20.1782 -20.1782 -20.1782 -20.1782 -7.9644 -7.9644 -7.9644 -7.9644 -6.8058 -6.8058 -6.8058 -6.8058 -5.6910 -5.6910 -5.6910 -5.6910 -4.8630 -4.8630 -4.8630 -4.8630 -4.6526 -4.6526 -4.6526 -4.6526 -3.4897 -3.4897 -3.4897 -3.4897 1.9401 1.9401 1.9401 1.9401 3.1290 3.1290 3.1290 3.1290 3.6236 3.6236 3.6236 3.6236 5.0530 5.0530 5.0530 5.0530 5.4074 5.4074 5.4074 5.4074 5.5604 5.5604 5.5604 5.5604 6.2559 6.2559 6.2559 6.2559 8.5502 8.5502 8.5502 8.5502 9.5794 9.5794 9.5794 9.5794 11.0938 11.0938 11.0938 11.0938 k = 0.5000 0.5000 0.3936 ( 5952 PWs) bands (ev): -20.1770 -20.1770 -20.1770 -20.1770 -7.9492 -7.9492 -7.9492 -7.9492 -6.8161 -6.8161 -6.8161 -6.8161 -5.6942 -5.6942 -5.6942 -5.6942 -4.8613 -4.8613 -4.8613 -4.8613 -4.6456 -4.6456 -4.6456 -4.6456 -3.5143 -3.5143 -3.5143 -3.5143 1.9264 1.9264 1.9264 1.9264 3.0906 3.0906 3.0906 3.0906 3.6233 3.6233 3.6233 3.6233 5.0193 5.0193 5.0193 5.0193 5.3992 5.3992 5.3992 5.3992 5.5570 5.5570 5.5570 5.5570 6.2636 6.2636 6.2636 6.2636 8.5860 8.5860 8.5860 8.5860 9.6156 9.6156 9.6156 9.6156 11.1427 11.1427 11.1427 11.1427 k = 0.5000 0.5000 0.4167 ( 5976 PWs) bands (ev): -20.1758 -20.1758 -20.1758 -20.1758 -7.9336 -7.9336 -7.9336 -7.9336 -6.8267 -6.8267 -6.8267 -6.8267 -5.6975 -5.6975 -5.6975 -5.6975 -4.8597 -4.8597 -4.8597 -4.8597 -4.6385 -4.6385 -4.6385 -4.6385 -3.5391 -3.5391 -3.5391 -3.5391 1.9109 1.9109 1.9109 1.9109 3.0533 3.0533 3.0533 3.0533 3.6254 3.6254 3.6254 3.6254 4.9855 4.9855 4.9855 4.9855 5.3857 5.3857 5.3857 5.3857 5.5569 5.5569 5.5569 5.5569 6.2712 6.2712 6.2712 6.2712 8.6225 8.6225 8.6225 8.6225 9.6461 9.6461 9.6461 9.6461 11.1874 11.1874 11.1874 11.1874 k = 0.5000 0.5000 0.4399 ( 5984 PWs) bands (ev): -20.1746 -20.1746 -20.1746 -20.1746 -7.9177 -7.9177 -7.9177 -7.9177 -6.8375 -6.8375 -6.8375 -6.8375 -5.7008 -5.7008 -5.7008 -5.7008 -4.8582 -4.8582 -4.8582 -4.8582 -4.6311 -4.6311 -4.6311 -4.6311 -3.5638 -3.5638 -3.5638 -3.5638 1.8937 1.8937 1.8937 1.8937 3.0174 3.0174 3.0174 3.0174 3.6302 3.6302 3.6302 3.6302 4.9519 4.9519 4.9519 4.9519 5.3685 5.3685 5.3685 5.3685 5.5586 5.5586 5.5586 5.5586 6.2786 6.2786 6.2786 6.2786 8.6592 8.6592 8.6592 8.6592 9.6709 9.6709 9.6709 9.6709 11.2271 11.2271 11.2271 11.2271 k = 0.5000 0.5000 0.4630 ( 6000 PWs) bands (ev): -20.1734 -20.1734 -20.1734 -20.1734 -7.9016 -7.9016 -7.9016 -7.9016 -6.8484 -6.8484 -6.8484 -6.8484 -5.7042 -5.7042 -5.7042 -5.7042 -4.8568 -4.8568 -4.8568 -4.8568 -4.6237 -4.6237 -4.6237 -4.6237 -3.5882 -3.5882 -3.5882 -3.5882 1.8750 1.8750 1.8750 1.8750 2.9830 2.9830 2.9830 2.9830 3.6375 3.6375 3.6375 3.6375 4.9188 4.9188 4.9188 4.9188 5.3488 5.3488 5.3488 5.3488 5.5609 5.5609 5.5609 5.5609 6.2858 6.2858 6.2858 6.2858 8.6957 8.6957 8.6957 8.6957 9.6901 9.6901 9.6901 9.6901 11.2619 11.2619 11.2619 11.2619 k = 0.5000 0.5000 0.4862 ( 5984 PWs) bands (ev): -20.1722 -20.1722 -20.1722 -20.1722 -7.8853 -7.8853 -7.8853 -7.8853 -6.8593 -6.8593 -6.8593 -6.8593 -5.7076 -5.7076 -5.7076 -5.7076 -4.8556 -4.8556 -4.8556 -4.8556 -4.6161 -4.6161 -4.6161 -4.6161 -3.6123 -3.6123 -3.6123 -3.6123 1.8551 1.8551 1.8551 1.8551 2.9502 2.9502 2.9502 2.9502 3.6473 3.6473 3.6473 3.6473 4.8864 4.8864 4.8864 4.8864 5.3274 5.3274 5.3274 5.3274 5.5631 5.5631 5.5631 5.5631 6.2928 6.2928 6.2928 6.2928 8.7314 8.7314 8.7314 8.7314 9.7039 9.7039 9.7039 9.7039 11.2925 11.2925 11.2925 11.2925 k = 0.5000 0.5000 0.5093 ( 5992 PWs) bands (ev): -20.1710 -20.1710 -20.1710 -20.1710 -7.8691 -7.8691 -7.8691 -7.8691 -6.8702 -6.8702 -6.8702 -6.8702 -5.7110 -5.7110 -5.7110 -5.7110 -4.8546 -4.8546 -4.8546 -4.8546 -4.6085 -4.6085 -4.6085 -4.6085 -3.6358 -3.6358 -3.6358 -3.6358 1.8342 1.8342 1.8342 1.8342 2.9191 2.9191 2.9191 2.9191 3.6596 3.6596 3.6596 3.6596 4.8548 4.8548 4.8548 4.8548 5.3048 5.3048 5.3048 5.3048 5.5647 5.5647 5.5647 5.5647 6.2996 6.2996 6.2996 6.2996 8.7659 8.7659 8.7659 8.7659 9.7127 9.7127 9.7127 9.7127 11.3200 11.3200 11.3200 11.3200 k = 0.5000 0.5000 0.5325 ( 6008 PWs) bands (ev): -20.1698 -20.1698 -20.1698 -20.1698 -7.8530 -7.8530 -7.8530 -7.8530 -6.8809 -6.8809 -6.8809 -6.8809 -5.7143 -5.7143 -5.7143 -5.7143 -4.8538 -4.8538 -4.8538 -4.8538 -4.6010 -4.6010 -4.6010 -4.6010 -3.6585 -3.6585 -3.6585 -3.6585 1.8125 1.8125 1.8125 1.8125 2.8897 2.8897 2.8897 2.8897 3.6741 3.6741 3.6741 3.6741 4.8243 4.8243 4.8243 4.8243 5.2812 5.2812 5.2812 5.2812 5.5657 5.5657 5.5657 5.5657 6.3062 6.3062 6.3062 6.3062 8.7989 8.7989 8.7989 8.7989 9.7169 9.7169 9.7169 9.7169 11.3454 11.3454 11.3454 11.3454 k = 0.5000 0.5000 0.5556 ( 6000 PWs) bands (ev): -20.1687 -20.1687 -20.1687 -20.1687 -7.8372 -7.8372 -7.8372 -7.8372 -6.8914 -6.8914 -6.8914 -6.8914 -5.7176 -5.7176 -5.7176 -5.7176 -4.8532 -4.8532 -4.8532 -4.8532 -4.5936 -4.5936 -4.5936 -4.5936 -3.6802 -3.6802 -3.6802 -3.6802 1.7905 1.7905 1.7905 1.7905 2.8621 2.8621 2.8621 2.8621 3.6907 3.6907 3.6907 3.6907 4.7952 4.7952 4.7952 4.7952 5.2569 5.2569 5.2569 5.2569 5.5660 5.5660 5.5660 5.5660 6.3127 6.3127 6.3127 6.3127 8.8299 8.8299 8.8299 8.8299 9.7169 9.7169 9.7169 9.7169 11.3696 11.3696 11.3696 11.3696 k = 0.5000 0.5000 0.5788 ( 5996 PWs) bands (ev): -20.1677 -20.1677 -20.1677 -20.1677 -7.8218 -7.8218 -7.8218 -7.8218 -6.9017 -6.9017 -6.9017 -6.9017 -5.7209 -5.7209 -5.7209 -5.7209 -4.8528 -4.8528 -4.8528 -4.8528 -4.5864 -4.5864 -4.5864 -4.5864 -3.7009 -3.7009 -3.7009 -3.7009 1.7685 1.7685 1.7685 1.7685 2.8364 2.8364 2.8364 2.8364 3.7090 3.7090 3.7090 3.7090 4.7675 4.7675 4.7675 4.7675 5.2321 5.2321 5.2321 5.2321 5.5657 5.5657 5.5657 5.5657 6.3191 6.3191 6.3191 6.3191 8.8587 8.8587 8.8587 8.8587 9.7134 9.7134 9.7134 9.7134 11.3932 11.3932 11.3932 11.3932 k = 0.5000 0.5000 0.6019 ( 5988 PWs) bands (ev): -20.1666 -20.1666 -20.1666 -20.1666 -7.8068 -7.8068 -7.8068 -7.8068 -6.9115 -6.9115 -6.9115 -6.9115 -5.7241 -5.7241 -5.7241 -5.7241 -4.8525 -4.8525 -4.8525 -4.8525 -4.5794 -4.5794 -4.5794 -4.5794 -3.7204 -3.7204 -3.7204 -3.7204 1.7468 1.7468 1.7468 1.7468 2.8125 2.8125 2.8125 2.8125 3.7287 3.7287 3.7287 3.7287 4.7414 4.7414 4.7414 4.7414 5.2070 5.2070 5.2070 5.2070 5.5649 5.5649 5.5649 5.5649 6.3253 6.3253 6.3253 6.3253 8.8850 8.8850 8.8850 8.8850 9.7069 9.7069 9.7069 9.7069 11.4165 11.4165 11.4165 11.4165 k = 0.5000 0.5000 0.6251 ( 5988 PWs) bands (ev): -20.1657 -20.1657 -20.1657 -20.1657 -7.7926 -7.7926 -7.7926 -7.7926 -6.9209 -6.9209 -6.9209 -6.9209 -5.7271 -5.7271 -5.7271 -5.7271 -4.8524 -4.8524 -4.8524 -4.8524 -4.5728 -4.5728 -4.5728 -4.5728 -3.7386 -3.7386 -3.7386 -3.7386 1.7257 1.7257 1.7257 1.7257 2.7907 2.7907 2.7907 2.7907 3.7493 3.7493 3.7493 3.7493 4.7171 4.7171 4.7171 4.7171 5.1819 5.1819 5.1819 5.1819 5.5638 5.5638 5.5638 5.5638 6.3313 6.3313 6.3313 6.3313 8.9088 8.9088 8.9088 8.9088 9.6982 9.6982 9.6982 9.6982 11.4394 11.4394 11.4394 11.4394 k = 0.5000 0.5000 0.6482 ( 5980 PWs) bands (ev): -20.1648 -20.1648 -20.1648 -20.1648 -7.7791 -7.7791 -7.7791 -7.7791 -6.9298 -6.9298 -6.9298 -6.9298 -5.7299 -5.7299 -5.7299 -5.7299 -4.8524 -4.8524 -4.8524 -4.8524 -4.5666 -4.5666 -4.5666 -4.5666 -3.7553 -3.7553 -3.7553 -3.7553 1.7056 1.7056 1.7056 1.7056 2.7708 2.7708 2.7708 2.7708 3.7705 3.7705 3.7705 3.7705 4.6947 4.6947 4.6947 4.6947 5.1570 5.1570 5.1570 5.1570 5.5623 5.5623 5.5623 5.5623 6.3371 6.3371 6.3371 6.3371 8.9299 8.9299 8.9299 8.9299 9.6880 9.6880 9.6880 9.6880 11.4620 11.4620 11.4620 11.4620 k = 0.5000 0.5000 0.6714 ( 5964 PWs) bands (ev): -20.1640 -20.1640 -20.1640 -20.1640 -7.7666 -7.7666 -7.7666 -7.7666 -6.9380 -6.9380 -6.9380 -6.9380 -5.7326 -5.7326 -5.7326 -5.7326 -4.8525 -4.8525 -4.8525 -4.8525 -4.5608 -4.5608 -4.5608 -4.5608 -3.7705 -3.7705 -3.7705 -3.7705 1.6867 1.6867 1.6867 1.6867 2.7529 2.7529 2.7529 2.7529 3.7916 3.7916 3.7916 3.7916 4.6743 4.6743 4.6743 4.6743 5.1327 5.1327 5.1327 5.1327 5.5606 5.5606 5.5606 5.5606 6.3427 6.3427 6.3427 6.3427 8.9485 8.9485 8.9485 8.9485 9.6768 9.6768 9.6768 9.6768 11.4838 11.4838 11.4838 11.4838 k = 0.5000 0.5000 0.6945 ( 5976 PWs) bands (ev): -20.1633 -20.1633 -20.1633 -20.1633 -7.7552 -7.7552 -7.7552 -7.7552 -6.9454 -6.9454 -6.9454 -6.9454 -5.7351 -5.7351 -5.7351 -5.7351 -4.8528 -4.8528 -4.8528 -4.8528 -4.5556 -4.5556 -4.5556 -4.5556 -3.7840 -3.7840 -3.7840 -3.7840 1.6694 1.6694 1.6694 1.6694 2.7371 2.7371 2.7371 2.7371 3.8123 3.8123 3.8123 3.8123 4.6560 4.6560 4.6560 4.6560 5.1095 5.1095 5.1095 5.1095 5.5589 5.5589 5.5589 5.5589 6.3479 6.3479 6.3479 6.3479 8.9644 8.9644 8.9644 8.9644 9.6653 9.6653 9.6653 9.6653 11.5046 11.5046 11.5046 11.5046 k = 0.5000 0.5000 0.7177 ( 6028 PWs) bands (ev): -20.1626 -20.1626 -20.1626 -20.1626 -7.7449 -7.7449 -7.7449 -7.7449 -6.9521 -6.9521 -6.9521 -6.9521 -5.7373 -5.7373 -5.7373 -5.7373 -4.8531 -4.8531 -4.8531 -4.8531 -4.5510 -4.5510 -4.5510 -4.5510 -3.7959 -3.7959 -3.7959 -3.7959 1.6538 1.6538 1.6538 1.6538 2.7233 2.7233 2.7233 2.7233 3.8319 3.8319 3.8319 3.8319 4.6400 4.6400 4.6400 4.6400 5.0878 5.0878 5.0878 5.0878 5.5573 5.5573 5.5573 5.5573 6.3526 6.3526 6.3526 6.3526 8.9779 8.9779 8.9779 8.9779 9.6541 9.6541 9.6541 9.6541 11.5239 11.5239 11.5239 11.5239 k = 0.5000 0.5000 0.7408 ( 6020 PWs) bands (ev): -20.1621 -20.1621 -20.1621 -20.1621 -7.7360 -7.7360 -7.7360 -7.7360 -6.9579 -6.9579 -6.9579 -6.9579 -5.7392 -5.7392 -5.7392 -5.7392 -4.8534 -4.8534 -4.8534 -4.8534 -4.5469 -4.5469 -4.5469 -4.5469 -3.8060 -3.8060 -3.8060 -3.8060 1.6403 1.6403 1.6403 1.6403 2.7117 2.7117 2.7117 2.7117 3.8498 3.8498 3.8498 3.8498 4.6263 4.6263 4.6263 4.6263 5.0682 5.0682 5.0682 5.0682 5.5557 5.5557 5.5557 5.5557 6.3568 6.3568 6.3568 6.3568 8.9890 8.9890 8.9890 8.9890 9.6438 9.6438 9.6438 9.6438 11.5413 11.5413 11.5413 11.5413 k = 0.5000 0.5000 0.7640 ( 6024 PWs) bands (ev): -20.1616 -20.1616 -20.1616 -20.1616 -7.7286 -7.7286 -7.7286 -7.7286 -6.9627 -6.9627 -6.9627 -6.9627 -5.7409 -5.7409 -5.7409 -5.7409 -4.8537 -4.8537 -4.8537 -4.8537 -4.5436 -4.5436 -4.5436 -4.5436 -3.8144 -3.8144 -3.8144 -3.8144 1.6290 1.6290 1.6290 1.6290 2.7021 2.7021 2.7021 2.7021 3.8655 3.8655 3.8655 3.8655 4.6151 4.6151 4.6151 4.6151 5.0512 5.0512 5.0512 5.0512 5.5544 5.5544 5.5544 5.5544 6.3604 6.3604 6.3604 6.3604 8.9978 8.9978 8.9978 8.9978 9.6346 9.6346 9.6346 9.6346 11.5564 11.5564 11.5564 11.5564 k = 0.5000 0.5000 0.7871 ( 6032 PWs) bands (ev): -20.1613 -20.1613 -20.1613 -20.1613 -7.7227 -7.7227 -7.7227 -7.7227 -6.9666 -6.9666 -6.9666 -6.9666 -5.7422 -5.7422 -5.7422 -5.7422 -4.8539 -4.8539 -4.8539 -4.8539 -4.5409 -4.5409 -4.5409 -4.5409 -3.8209 -3.8209 -3.8209 -3.8209 1.6200 1.6200 1.6200 1.6200 2.6946 2.6946 2.6946 2.6946 3.8784 3.8784 3.8784 3.8784 4.6062 4.6062 4.6062 4.6062 5.0372 5.0372 5.0372 5.0372 5.5532 5.5532 5.5532 5.5532 6.3633 6.3633 6.3633 6.3633 9.0045 9.0045 9.0045 9.0045 9.6271 9.6271 9.6271 9.6271 11.5686 11.5686 11.5686 11.5686 k = 0.5000 0.5000 0.8103 ( 6040 PWs) bands (ev): -20.1610 -20.1610 -20.1610 -20.1610 -7.7184 -7.7184 -7.7184 -7.7184 -6.9693 -6.9693 -6.9693 -6.9693 -5.7431 -5.7431 -5.7431 -5.7431 -4.8541 -4.8541 -4.8541 -4.8541 -4.5390 -4.5390 -4.5390 -4.5390 -3.8255 -3.8255 -3.8255 -3.8255 1.6135 1.6135 1.6135 1.6135 2.6893 2.6893 2.6893 2.6893 3.8880 3.8880 3.8880 3.8880 4.5999 4.5999 4.5999 4.5999 5.0269 5.0269 5.0269 5.0269 5.5524 5.5524 5.5524 5.5524 6.3654 6.3654 6.3654 6.3654 9.0093 9.0093 9.0093 9.0093 9.6216 9.6216 9.6216 9.6216 11.5777 11.5777 11.5777 11.5777 k = 0.5000 0.5000 0.8334 ( 6040 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7158 -7.7158 -7.7158 -7.7158 -6.9710 -6.9710 -6.9710 -6.9710 -5.7437 -5.7437 -5.7437 -5.7437 -4.8542 -4.8542 -4.8542 -4.8542 -4.5379 -4.5379 -4.5379 -4.5379 -3.8284 -3.8284 -3.8284 -3.8284 1.6096 1.6096 1.6096 1.6096 2.6861 2.6861 2.6861 2.6861 3.8939 3.8939 3.8939 3.8939 4.5960 4.5960 4.5960 4.5960 5.0206 5.0206 5.0206 5.0206 5.5519 5.5519 5.5519 5.5519 6.3667 6.3667 6.3667 6.3667 9.0121 9.0121 9.0121 9.0121 9.6182 9.6182 9.6182 9.6182 11.5832 11.5832 11.5832 11.5832 k = 0.5000 0.5000 0.8566 ( 6032 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -7.7149 -7.7149 -7.7149 -7.7149 -6.9716 -6.9716 -6.9716 -6.9716 -5.7439 -5.7439 -5.7439 -5.7439 -4.8543 -4.8543 -4.8543 -4.8543 -4.5375 -4.5375 -4.5375 -4.5375 -3.8293 -3.8293 -3.8293 -3.8293 1.6083 1.6083 1.6083 1.6083 2.6850 2.6850 2.6850 2.6850 3.8959 3.8959 3.8959 3.8959 4.5948 4.5948 4.5948 4.5948 5.0184 5.0184 5.0184 5.0184 5.5517 5.5517 5.5517 5.5517 6.3671 6.3671 6.3671 6.3671 9.0130 9.0130 9.0130 9.0130 9.6170 9.6170 9.6170 9.6170 11.5851 11.5851 11.5851 11.5851 Writing output data file BaSe3.save init_run : 0.73s CPU 0.90s WALL ( 1 calls) electrons : 732.26s CPU 742.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 732.25s CPU 742.01s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.18s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.09s WALL ( 270 calls) cegterg : 703.18s CPU 712.37s WALL ( 599 calls) Called by sum_band: Called by *egterg: h_psi : 331.23s CPU 336.52s WALL ( 9975 calls) s_psi : 41.46s CPU 41.48s WALL ( 9975 calls) g_psi : 1.05s CPU 0.95s WALL ( 9106 calls) cdiaghg : 209.74s CPU 209.93s WALL ( 9376 calls) cegterg:over : 58.76s CPU 57.68s WALL ( 9106 calls) cegterg:upda : 38.84s CPU 39.19s WALL ( 9106 calls) cegterg:last : 23.02s CPU 23.03s WALL ( 1488 calls) Called by h_psi: h_psi:vloc : 270.39s CPU 274.06s WALL ( 9975 calls) h_psi:vnl : 60.27s CPU 61.58s WALL ( 9975 calls) add_vuspsi : 31.23s CPU 33.00s WALL ( 9975 calls) General routines calbec : 29.02s CPU 28.53s WALL ( 9975 calls) fft : 0.04s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 257.50s CPU 256.27s WALL ( 1228904 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.20s WALL ( 540 calls) Parallel routines fft_scatter : 169.04s CPU 143.79s WALL ( 1228927 calls) PWSCF : 12m56.58s CPU 13m27.21s WALL This run was terminated on: 16:19:54 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=