Program PWSCF v.5.1.1 starts on 17Oct2015 at 18:47:12 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CoSbS.save/ file Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 25 19 5 919 603 97 Max 26 20 7 923 619 104 Sum 1209 919 277 44171 29209 4787 bravais-lattice index = 14 lattice parameter (alat) = 6.8181 a.u. unit-cell volume = 694.3265 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.818131 celldm(2)= 1.350610 celldm(3)= 1.621951 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 1.350610 0.000000 ) a(3) = ( 0.000000 0.000000 1.621951 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.740406 -0.000000 ) b(3) = ( 0.000000 0.000000 0.616541 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Co read from file: /home/autes/Pseudo/Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6e843fd57bb34a371311d5dc8eddf880 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1193 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Co 9.00 58.93320 Co( 1.00) Sb 5.00 121.76000 Sb( 1.00) 4 Sym. Ops. (no inversion) found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8109756 ) isym = 3 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8109756 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 s_v -s_v 3 -3 s_v'-s_v' 4 -4 -E -1 Cartesian axes number of k points= 428 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0023364 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0023364 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0023364 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0023364 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0023364 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0023364 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0023364 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0023364 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0023364 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0023364 k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0023364 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0023364 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0023364 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0023364 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0023364 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0023364 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0023364 k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0023364 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0023364 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0023364 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0023364 k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0023364 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0023364 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0023364 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0023364 k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0023364 k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0023364 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0023364 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0023364 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0023364 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0023364 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0023364 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0023364 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0023364 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0023364 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0023364 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0023364 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0023364 k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0023364 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0023364 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0023364 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0023364 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0023364 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023364 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023364 k( 47) = ( 0.5000000 0.0112183 -0.0000000), wk = 0.0023364 k( 48) = ( 0.5000000 0.0224366 -0.0000000), wk = 0.0023364 k( 49) = ( 0.5000000 0.0336548 -0.0000000), wk = 0.0023364 k( 50) = ( 0.5000000 0.0448731 -0.0000000), wk = 0.0023364 k( 51) = ( 0.5000000 0.0560914 -0.0000000), wk = 0.0023364 k( 52) = ( 0.5000000 0.0673097 -0.0000000), wk = 0.0023364 k( 53) = ( 0.5000000 0.0785279 -0.0000000), wk = 0.0023364 k( 54) = ( 0.5000000 0.0897462 -0.0000000), wk = 0.0023364 k( 55) = ( 0.5000000 0.1009645 -0.0000000), wk = 0.0023364 k( 56) = ( 0.5000000 0.1121828 -0.0000000), wk = 0.0023364 k( 57) = ( 0.5000000 0.1234011 -0.0000000), wk = 0.0023364 k( 58) = ( 0.5000000 0.1346193 -0.0000000), wk = 0.0023364 k( 59) = ( 0.5000000 0.1458376 -0.0000000), wk = 0.0023364 k( 60) = ( 0.5000000 0.1570559 -0.0000000), wk = 0.0023364 k( 61) = ( 0.5000000 0.1682742 -0.0000000), wk = 0.0023364 k( 62) = ( 0.5000000 0.1794924 -0.0000000), wk = 0.0023364 k( 63) = ( 0.5000000 0.1907107 -0.0000000), wk = 0.0023364 k( 64) = ( 0.5000000 0.2019290 -0.0000000), wk = 0.0023364 k( 65) = ( 0.5000000 0.2131473 -0.0000000), wk = 0.0023364 k( 66) = ( 0.5000000 0.2243655 -0.0000000), wk = 0.0023364 k( 67) = ( 0.5000000 0.2355838 -0.0000000), wk = 0.0023364 k( 68) = ( 0.5000000 0.2468021 -0.0000000), wk = 0.0023364 k( 69) = ( 0.5000000 0.2580204 -0.0000000), wk = 0.0023364 k( 70) = ( 0.5000000 0.2692387 -0.0000000), wk = 0.0023364 k( 71) = ( 0.5000000 0.2804569 -0.0000000), wk = 0.0023364 k( 72) = ( 0.5000000 0.2916752 -0.0000000), wk = 0.0023364 k( 73) = ( 0.5000000 0.3028935 -0.0000000), wk = 0.0023364 k( 74) = ( 0.5000000 0.3141118 -0.0000000), wk = 0.0023364 k( 75) = ( 0.5000000 0.3253301 -0.0000000), wk = 0.0023364 k( 76) = ( 0.5000000 0.3365483 -0.0000000), wk = 0.0023364 k( 77) = ( 0.5000000 0.3477666 -0.0000000), wk = 0.0023364 k( 78) = ( 0.5000000 0.3589849 -0.0000000), wk = 0.0023364 k( 79) = ( 0.5000000 0.3702032 -0.0000000), wk = 0.0023364 k( 80) = ( 0.5000000 0.3702032 -0.0000000), wk = 0.0023364 k( 81) = ( 0.4886364 0.3702032 -0.0000000), wk = 0.0023364 k( 82) = ( 0.4772727 0.3702032 -0.0000000), wk = 0.0023364 k( 83) = ( 0.4659091 0.3702032 -0.0000000), wk = 0.0023364 k( 84) = ( 0.4545455 0.3702032 -0.0000000), wk = 0.0023364 k( 85) = ( 0.4431818 0.3702032 -0.0000000), wk = 0.0023364 k( 86) = ( 0.4318182 0.3702032 -0.0000000), wk = 0.0023364 k( 87) = ( 0.4204545 0.3702032 -0.0000000), wk = 0.0023364 k( 88) = ( 0.4090909 0.3702032 -0.0000000), wk = 0.0023364 k( 89) = ( 0.3977273 0.3702032 -0.0000000), wk = 0.0023364 k( 90) = ( 0.3863636 0.3702032 -0.0000000), wk = 0.0023364 k( 91) = ( 0.3750000 0.3702032 -0.0000000), wk = 0.0023364 k( 92) = ( 0.3636364 0.3702032 -0.0000000), wk = 0.0023364 k( 93) = ( 0.3522727 0.3702032 -0.0000000), wk = 0.0023364 k( 94) = ( 0.3409091 0.3702032 -0.0000000), wk = 0.0023364 k( 95) = ( 0.3295455 0.3702032 -0.0000000), wk = 0.0023364 k( 96) = ( 0.3181818 0.3702032 -0.0000000), wk = 0.0023364 k( 97) = ( 0.3068182 0.3702032 -0.0000000), wk = 0.0023364 k( 98) = ( 0.2954545 0.3702032 -0.0000000), wk = 0.0023364 k( 99) = ( 0.2840909 0.3702032 -0.0000000), wk = 0.0023364 k( 100) = ( 0.2727273 0.3702032 -0.0000000), wk = 0.0023364 k( 101) = ( 0.2613636 0.3702032 -0.0000000), wk = 0.0023364 k( 102) = ( 0.2500000 0.3702032 -0.0000000), wk = 0.0023364 k( 103) = ( 0.2386364 0.3702032 -0.0000000), wk = 0.0023364 k( 104) = ( 0.2272727 0.3702032 -0.0000000), wk = 0.0023364 k( 105) = ( 0.2159091 0.3702032 -0.0000000), wk = 0.0023364 k( 106) = ( 0.2045454 0.3702032 -0.0000000), wk = 0.0023364 k( 107) = ( 0.1931818 0.3702032 -0.0000000), wk = 0.0023364 k( 108) = ( 0.1818182 0.3702032 -0.0000000), wk = 0.0023364 k( 109) = ( 0.1704546 0.3702032 -0.0000000), wk = 0.0023364 k( 110) = ( 0.1590909 0.3702032 -0.0000000), wk = 0.0023364 k( 111) = ( 0.1477273 0.3702032 -0.0000000), wk = 0.0023364 k( 112) = ( 0.1363636 0.3702032 -0.0000000), wk = 0.0023364 k( 113) = ( 0.1250000 0.3702032 -0.0000000), wk = 0.0023364 k( 114) = ( 0.1136364 0.3702032 -0.0000000), wk = 0.0023364 k( 115) = ( 0.1022727 0.3702032 -0.0000000), wk = 0.0023364 k( 116) = ( 0.0909091 0.3702032 -0.0000000), wk = 0.0023364 k( 117) = ( 0.0795455 0.3702032 -0.0000000), wk = 0.0023364 k( 118) = ( 0.0681818 0.3702032 -0.0000000), wk = 0.0023364 k( 119) = ( 0.0568182 0.3702032 -0.0000000), wk = 0.0023364 k( 120) = ( 0.0454546 0.3702032 -0.0000000), wk = 0.0023364 k( 121) = ( 0.0340909 0.3702032 -0.0000000), wk = 0.0023364 k( 122) = ( 0.0227273 0.3702032 -0.0000000), wk = 0.0023364 k( 123) = ( 0.0113636 0.3702032 -0.0000000), wk = 0.0023364 k( 124) = ( 0.0000000 0.3702032 -0.0000000), wk = 0.0023364 k( 125) = ( 0.0000000 0.3702032 -0.0000000), wk = 0.0023364 k( 126) = ( 0.0000000 0.3589849 -0.0000000), wk = 0.0023364 k( 127) = ( 0.0000000 0.3477666 -0.0000000), wk = 0.0023364 k( 128) = ( 0.0000000 0.3365483 -0.0000000), wk = 0.0023364 k( 129) = ( 0.0000000 0.3253301 -0.0000000), wk = 0.0023364 k( 130) = ( 0.0000000 0.3141118 -0.0000000), wk = 0.0023364 k( 131) = ( 0.0000000 0.3028935 -0.0000000), wk = 0.0023364 k( 132) = ( 0.0000000 0.2916752 -0.0000000), wk = 0.0023364 k( 133) = ( 0.0000000 0.2804569 -0.0000000), wk = 0.0023364 k( 134) = ( 0.0000000 0.2692387 -0.0000000), wk = 0.0023364 k( 135) = ( 0.0000000 0.2580204 -0.0000000), wk = 0.0023364 k( 136) = ( 0.0000000 0.2468021 -0.0000000), wk = 0.0023364 k( 137) = ( 0.0000000 0.2355838 -0.0000000), wk = 0.0023364 k( 138) = ( 0.0000000 0.2243655 -0.0000000), wk = 0.0023364 k( 139) = ( 0.0000000 0.2131473 -0.0000000), wk = 0.0023364 k( 140) = ( 0.0000000 0.2019290 -0.0000000), wk = 0.0023364 k( 141) = ( 0.0000000 0.1907107 -0.0000000), wk = 0.0023364 k( 142) = ( 0.0000000 0.1794924 -0.0000000), wk = 0.0023364 k( 143) = ( 0.0000000 0.1682742 -0.0000000), wk = 0.0023364 k( 144) = ( 0.0000000 0.1570559 -0.0000000), wk = 0.0023364 k( 145) = ( 0.0000000 0.1458376 -0.0000000), wk = 0.0023364 k( 146) = ( 0.0000000 0.1346193 -0.0000000), wk = 0.0023364 k( 147) = ( 0.0000000 0.1234011 -0.0000000), wk = 0.0023364 k( 148) = ( 0.0000000 0.1121828 -0.0000000), wk = 0.0023364 k( 149) = ( 0.0000000 0.1009645 -0.0000000), wk = 0.0023364 k( 150) = ( 0.0000000 0.0897462 -0.0000000), wk = 0.0023364 k( 151) = ( 0.0000000 0.0785279 -0.0000000), wk = 0.0023364 k( 152) = ( 0.0000000 0.0673097 -0.0000000), wk = 0.0023364 k( 153) = ( 0.0000000 0.0560914 -0.0000000), wk = 0.0023364 k( 154) = ( 0.0000000 0.0448731 -0.0000000), wk = 0.0023364 k( 155) = ( 0.0000000 0.0336548 -0.0000000), wk = 0.0023364 k( 156) = ( 0.0000000 0.0224366 -0.0000000), wk = 0.0023364 k( 157) = ( 0.0000000 0.0112183 -0.0000000), wk = 0.0023364 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 160) = ( 0.0000000 0.0000000 0.0114174), wk = 0.0023364 k( 161) = ( 0.0000000 0.0000000 0.0228349), wk = 0.0023364 k( 162) = ( 0.0000000 0.0000000 0.0342523), wk = 0.0023364 k( 163) = ( 0.0000000 0.0000000 0.0456697), wk = 0.0023364 k( 164) = ( 0.0000000 0.0000000 0.0570872), wk = 0.0023364 k( 165) = ( 0.0000000 0.0000000 0.0685046), wk = 0.0023364 k( 166) = ( 0.0000000 0.0000000 0.0799220), wk = 0.0023364 k( 167) = ( 0.0000000 0.0000000 0.0913395), wk = 0.0023364 k( 168) = ( 0.0000000 0.0000000 0.1027569), wk = 0.0023364 k( 169) = ( 0.0000000 0.0000000 0.1141743), wk = 0.0023364 k( 170) = ( 0.0000000 0.0000000 0.1255918), wk = 0.0023364 k( 171) = ( 0.0000000 0.0000000 0.1370092), wk = 0.0023364 k( 172) = ( 0.0000000 0.0000000 0.1484266), wk = 0.0023364 k( 173) = ( 0.0000000 0.0000000 0.1598441), wk = 0.0023364 k( 174) = ( 0.0000000 0.0000000 0.1712615), wk = 0.0023364 k( 175) = ( 0.0000000 0.0000000 0.1826789), wk = 0.0023364 k( 176) = ( 0.0000000 0.0000000 0.1940963), wk = 0.0023364 k( 177) = ( 0.0000000 0.0000000 0.2055138), wk = 0.0023364 k( 178) = ( 0.0000000 0.0000000 0.2169312), wk = 0.0023364 k( 179) = ( 0.0000000 0.0000000 0.2283486), wk = 0.0023364 k( 180) = ( 0.0000000 0.0000000 0.2397661), wk = 0.0023364 k( 181) = ( 0.0000000 0.0000000 0.2511835), wk = 0.0023364 k( 182) = ( 0.0000000 0.0000000 0.2626009), wk = 0.0023364 k( 183) = ( 0.0000000 0.0000000 0.2740184), wk = 0.0023364 k( 184) = ( 0.0000000 0.0000000 0.2854358), wk = 0.0023364 k( 185) = ( 0.0000000 0.0000000 0.2968532), wk = 0.0023364 k( 186) = ( 0.0000000 0.0000000 0.3082707), wk = 0.0023364 k( 187) = ( 0.0000000 0.0000000 0.3082707), wk = 0.0023364 k( 188) = ( 0.0113636 -0.0000000 0.3082707), wk = 0.0023364 k( 189) = ( 0.0227273 -0.0000000 0.3082707), wk = 0.0023364 k( 190) = ( 0.0340909 -0.0000000 0.3082707), wk = 0.0023364 k( 191) = ( 0.0454546 -0.0000000 0.3082707), wk = 0.0023364 k( 192) = ( 0.0568182 -0.0000000 0.3082707), wk = 0.0023364 k( 193) = ( 0.0681818 -0.0000000 0.3082707), wk = 0.0023364 k( 194) = ( 0.0795455 -0.0000000 0.3082707), wk = 0.0023364 k( 195) = ( 0.0909091 -0.0000000 0.3082707), wk = 0.0023364 k( 196) = ( 0.1022727 -0.0000000 0.3082707), wk = 0.0023364 k( 197) = ( 0.1136364 -0.0000000 0.3082707), wk = 0.0023364 k( 198) = ( 0.1250000 -0.0000000 0.3082707), wk = 0.0023364 k( 199) = ( 0.1363636 -0.0000000 0.3082707), wk = 0.0023364 k( 200) = ( 0.1477273 -0.0000000 0.3082707), wk = 0.0023364 k( 201) = ( 0.1590909 -0.0000000 0.3082707), wk = 0.0023364 k( 202) = ( 0.1704546 -0.0000000 0.3082707), wk = 0.0023364 k( 203) = ( 0.1818182 -0.0000000 0.3082707), wk = 0.0023364 k( 204) = ( 0.1931818 -0.0000000 0.3082707), wk = 0.0023364 k( 205) = ( 0.2045454 -0.0000000 0.3082707), wk = 0.0023364 k( 206) = ( 0.2159091 -0.0000000 0.3082707), wk = 0.0023364 k( 207) = ( 0.2272727 -0.0000000 0.3082707), wk = 0.0023364 k( 208) = ( 0.2386364 -0.0000000 0.3082707), wk = 0.0023364 k( 209) = ( 0.2500000 -0.0000000 0.3082707), wk = 0.0023364 k( 210) = ( 0.2613636 -0.0000000 0.3082707), wk = 0.0023364 k( 211) = ( 0.2727273 -0.0000000 0.3082707), wk = 0.0023364 k( 212) = ( 0.2840909 -0.0000000 0.3082707), wk = 0.0023364 k( 213) = ( 0.2954545 -0.0000000 0.3082707), wk = 0.0023364 k( 214) = ( 0.3068182 -0.0000000 0.3082707), wk = 0.0023364 k( 215) = ( 0.3181818 -0.0000000 0.3082707), wk = 0.0023364 k( 216) = ( 0.3295455 -0.0000000 0.3082707), wk = 0.0023364 k( 217) = ( 0.3409091 -0.0000000 0.3082707), wk = 0.0023364 k( 218) = ( 0.3522727 -0.0000000 0.3082707), wk = 0.0023364 k( 219) = ( 0.3636364 -0.0000000 0.3082707), wk = 0.0023364 k( 220) = ( 0.3750000 -0.0000000 0.3082707), wk = 0.0023364 k( 221) = ( 0.3863636 -0.0000000 0.3082707), wk = 0.0023364 k( 222) = ( 0.3977273 -0.0000000 0.3082707), wk = 0.0023364 k( 223) = ( 0.4090909 -0.0000000 0.3082707), wk = 0.0023364 k( 224) = ( 0.4204545 -0.0000000 0.3082707), wk = 0.0023364 k( 225) = ( 0.4318182 -0.0000000 0.3082707), wk = 0.0023364 k( 226) = ( 0.4431818 -0.0000000 0.3082707), wk = 0.0023364 k( 227) = ( 0.4545455 -0.0000000 0.3082707), wk = 0.0023364 k( 228) = ( 0.4659091 -0.0000000 0.3082707), wk = 0.0023364 k( 229) = ( 0.4772727 -0.0000000 0.3082707), wk = 0.0023364 k( 230) = ( 0.4886364 -0.0000000 0.3082707), wk = 0.0023364 k( 231) = ( 0.5000000 -0.0000000 0.3082707), wk = 0.0023364 k( 232) = ( 0.5000000 -0.0000000 0.3082707), wk = 0.0023364 k( 233) = ( 0.5000000 0.0112183 0.3082707), wk = 0.0023364 k( 234) = ( 0.5000000 0.0224366 0.3082707), wk = 0.0023364 k( 235) = ( 0.5000000 0.0336548 0.3082707), wk = 0.0023364 k( 236) = ( 0.5000000 0.0448731 0.3082707), wk = 0.0023364 k( 237) = ( 0.5000000 0.0560914 0.3082707), wk = 0.0023364 k( 238) = ( 0.5000000 0.0673097 0.3082707), wk = 0.0023364 k( 239) = ( 0.5000000 0.0785279 0.3082707), wk = 0.0023364 k( 240) = ( 0.5000000 0.0897462 0.3082707), wk = 0.0023364 k( 241) = ( 0.5000000 0.1009645 0.3082707), wk = 0.0023364 k( 242) = ( 0.5000000 0.1121828 0.3082707), wk = 0.0023364 k( 243) = ( 0.5000000 0.1234011 0.3082707), wk = 0.0023364 k( 244) = ( 0.5000000 0.1346193 0.3082707), wk = 0.0023364 k( 245) = ( 0.5000000 0.1458376 0.3082707), wk = 0.0023364 k( 246) = ( 0.5000000 0.1570559 0.3082707), wk = 0.0023364 k( 247) = ( 0.5000000 0.1682742 0.3082707), wk = 0.0023364 k( 248) = ( 0.5000000 0.1794924 0.3082707), wk = 0.0023364 k( 249) = ( 0.5000000 0.1907107 0.3082707), wk = 0.0023364 k( 250) = ( 0.5000000 0.2019290 0.3082707), wk = 0.0023364 k( 251) = ( 0.5000000 0.2131473 0.3082707), wk = 0.0023364 k( 252) = ( 0.5000000 0.2243655 0.3082707), wk = 0.0023364 k( 253) = ( 0.5000000 0.2355838 0.3082707), wk = 0.0023364 k( 254) = ( 0.5000000 0.2468021 0.3082707), wk = 0.0023364 k( 255) = ( 0.5000000 0.2580204 0.3082707), wk = 0.0023364 k( 256) = ( 0.5000000 0.2692387 0.3082707), wk = 0.0023364 k( 257) = ( 0.5000000 0.2804569 0.3082707), wk = 0.0023364 k( 258) = ( 0.5000000 0.2916752 0.3082707), wk = 0.0023364 k( 259) = ( 0.5000000 0.3028935 0.3082707), wk = 0.0023364 k( 260) = ( 0.5000000 0.3141118 0.3082707), wk = 0.0023364 k( 261) = ( 0.5000000 0.3253301 0.3082707), wk = 0.0023364 k( 262) = ( 0.5000000 0.3365483 0.3082707), wk = 0.0023364 k( 263) = ( 0.5000000 0.3477666 0.3082707), wk = 0.0023364 k( 264) = ( 0.5000000 0.3589849 0.3082707), wk = 0.0023364 k( 265) = ( 0.5000000 0.3702032 0.3082707), wk = 0.0023364 k( 266) = ( 0.5000000 0.3702032 0.3082707), wk = 0.0023364 k( 267) = ( 0.4886364 0.3702032 0.3082707), wk = 0.0023364 k( 268) = ( 0.4772727 0.3702032 0.3082707), wk = 0.0023364 k( 269) = ( 0.4659091 0.3702032 0.3082707), wk = 0.0023364 k( 270) = ( 0.4545455 0.3702032 0.3082707), wk = 0.0023364 k( 271) = ( 0.4431818 0.3702032 0.3082707), wk = 0.0023364 k( 272) = ( 0.4318182 0.3702032 0.3082707), wk = 0.0023364 k( 273) = ( 0.4204545 0.3702032 0.3082707), wk = 0.0023364 k( 274) = ( 0.4090909 0.3702032 0.3082707), wk = 0.0023364 k( 275) = ( 0.3977273 0.3702032 0.3082707), wk = 0.0023364 k( 276) = ( 0.3863636 0.3702032 0.3082707), wk = 0.0023364 k( 277) = ( 0.3750000 0.3702032 0.3082707), wk = 0.0023364 k( 278) = ( 0.3636364 0.3702032 0.3082707), wk = 0.0023364 k( 279) = ( 0.3522727 0.3702032 0.3082707), wk = 0.0023364 k( 280) = ( 0.3409091 0.3702032 0.3082707), wk = 0.0023364 k( 281) = ( 0.3295455 0.3702032 0.3082707), wk = 0.0023364 k( 282) = ( 0.3181818 0.3702032 0.3082707), wk = 0.0023364 k( 283) = ( 0.3068182 0.3702032 0.3082707), wk = 0.0023364 k( 284) = ( 0.2954545 0.3702032 0.3082707), wk = 0.0023364 k( 285) = ( 0.2840909 0.3702032 0.3082707), wk = 0.0023364 k( 286) = ( 0.2727273 0.3702032 0.3082707), wk = 0.0023364 k( 287) = ( 0.2613636 0.3702032 0.3082707), wk = 0.0023364 k( 288) = ( 0.2500000 0.3702032 0.3082707), wk = 0.0023364 k( 289) = ( 0.2386364 0.3702032 0.3082707), wk = 0.0023364 k( 290) = ( 0.2272727 0.3702032 0.3082707), wk = 0.0023364 k( 291) = ( 0.2159091 0.3702032 0.3082707), wk = 0.0023364 k( 292) = ( 0.2045454 0.3702032 0.3082707), wk = 0.0023364 k( 293) = ( 0.1931818 0.3702032 0.3082707), wk = 0.0023364 k( 294) = ( 0.1818182 0.3702032 0.3082707), wk = 0.0023364 k( 295) = ( 0.1704546 0.3702032 0.3082707), wk = 0.0023364 k( 296) = ( 0.1590909 0.3702032 0.3082707), wk = 0.0023364 k( 297) = ( 0.1477273 0.3702032 0.3082707), wk = 0.0023364 k( 298) = ( 0.1363636 0.3702032 0.3082707), wk = 0.0023364 k( 299) = ( 0.1250000 0.3702032 0.3082707), wk = 0.0023364 k( 300) = ( 0.1136364 0.3702032 0.3082707), wk = 0.0023364 k( 301) = ( 0.1022727 0.3702032 0.3082707), wk = 0.0023364 k( 302) = ( 0.0909091 0.3702032 0.3082707), wk = 0.0023364 k( 303) = ( 0.0795455 0.3702032 0.3082707), wk = 0.0023364 k( 304) = ( 0.0681818 0.3702032 0.3082707), wk = 0.0023364 k( 305) = ( 0.0568182 0.3702032 0.3082707), wk = 0.0023364 k( 306) = ( 0.0454546 0.3702032 0.3082707), wk = 0.0023364 k( 307) = ( 0.0340909 0.3702032 0.3082707), wk = 0.0023364 k( 308) = ( 0.0227273 0.3702032 0.3082707), wk = 0.0023364 k( 309) = ( 0.0113636 0.3702032 0.3082707), wk = 0.0023364 k( 310) = ( 0.0000000 0.3702032 0.3082707), wk = 0.0023364 k( 311) = ( 0.0000000 0.3702032 0.3082707), wk = 0.0023364 k( 312) = ( 0.0000000 0.3589849 0.3082707), wk = 0.0023364 k( 313) = ( 0.0000000 0.3477666 0.3082707), wk = 0.0023364 k( 314) = ( 0.0000000 0.3365483 0.3082707), wk = 0.0023364 k( 315) = ( 0.0000000 0.3253301 0.3082707), wk = 0.0023364 k( 316) = ( 0.0000000 0.3141118 0.3082707), wk = 0.0023364 k( 317) = ( 0.0000000 0.3028935 0.3082707), wk = 0.0023364 k( 318) = ( 0.0000000 0.2916752 0.3082707), wk = 0.0023364 k( 319) = ( 0.0000000 0.2804569 0.3082707), wk = 0.0023364 k( 320) = ( 0.0000000 0.2692387 0.3082707), wk = 0.0023364 k( 321) = ( 0.0000000 0.2580204 0.3082707), wk = 0.0023364 k( 322) = ( 0.0000000 0.2468021 0.3082707), wk = 0.0023364 k( 323) = ( 0.0000000 0.2355838 0.3082707), wk = 0.0023364 k( 324) = ( 0.0000000 0.2243655 0.3082707), wk = 0.0023364 k( 325) = ( 0.0000000 0.2131473 0.3082707), wk = 0.0023364 k( 326) = ( 0.0000000 0.2019290 0.3082707), wk = 0.0023364 k( 327) = ( 0.0000000 0.1907107 0.3082707), wk = 0.0023364 k( 328) = ( 0.0000000 0.1794924 0.3082707), wk = 0.0023364 k( 329) = ( 0.0000000 0.1682742 0.3082707), wk = 0.0023364 k( 330) = ( 0.0000000 0.1570559 0.3082707), wk = 0.0023364 k( 331) = ( 0.0000000 0.1458376 0.3082707), wk = 0.0023364 k( 332) = ( 0.0000000 0.1346193 0.3082707), wk = 0.0023364 k( 333) = ( 0.0000000 0.1234011 0.3082707), wk = 0.0023364 k( 334) = ( 0.0000000 0.1121828 0.3082707), wk = 0.0023364 k( 335) = ( 0.0000000 0.1009645 0.3082707), wk = 0.0023364 k( 336) = ( 0.0000000 0.0897462 0.3082707), wk = 0.0023364 k( 337) = ( 0.0000000 0.0785279 0.3082707), wk = 0.0023364 k( 338) = ( 0.0000000 0.0673097 0.3082707), wk = 0.0023364 k( 339) = ( 0.0000000 0.0560914 0.3082707), wk = 0.0023364 k( 340) = ( 0.0000000 0.0448731 0.3082707), wk = 0.0023364 k( 341) = ( 0.0000000 0.0336548 0.3082707), wk = 0.0023364 k( 342) = ( 0.0000000 0.0224366 0.3082707), wk = 0.0023364 k( 343) = ( 0.0000000 0.0112183 0.3082707), wk = 0.0023364 k( 344) = ( 0.0000000 0.0000000 0.3082707), wk = 0.0023364 k( 345) = ( 0.0000000 0.3702032 -0.0000000), wk = 0.0023364 k( 346) = ( 0.0000000 0.3702032 0.0114174), wk = 0.0023364 k( 347) = ( 0.0000000 0.3702032 0.0228349), wk = 0.0023364 k( 348) = ( 0.0000000 0.3702032 0.0342523), wk = 0.0023364 k( 349) = ( 0.0000000 0.3702032 0.0456697), wk = 0.0023364 k( 350) = ( 0.0000000 0.3702032 0.0570872), wk = 0.0023364 k( 351) = ( 0.0000000 0.3702032 0.0685046), wk = 0.0023364 k( 352) = ( 0.0000000 0.3702032 0.0799220), wk = 0.0023364 k( 353) = ( 0.0000000 0.3702032 0.0913395), wk = 0.0023364 k( 354) = ( 0.0000000 0.3702032 0.1027569), wk = 0.0023364 k( 355) = ( 0.0000000 0.3702032 0.1141743), wk = 0.0023364 k( 356) = ( 0.0000000 0.3702032 0.1255918), wk = 0.0023364 k( 357) = ( 0.0000000 0.3702032 0.1370092), wk = 0.0023364 k( 358) = ( 0.0000000 0.3702032 0.1484266), wk = 0.0023364 k( 359) = ( 0.0000000 0.3702032 0.1598441), wk = 0.0023364 k( 360) = ( 0.0000000 0.3702032 0.1712615), wk = 0.0023364 k( 361) = ( 0.0000000 0.3702032 0.1826789), wk = 0.0023364 k( 362) = ( 0.0000000 0.3702032 0.1940963), wk = 0.0023364 k( 363) = ( 0.0000000 0.3702032 0.2055138), wk = 0.0023364 k( 364) = ( 0.0000000 0.3702032 0.2169312), wk = 0.0023364 k( 365) = ( 0.0000000 0.3702032 0.2283486), wk = 0.0023364 k( 366) = ( 0.0000000 0.3702032 0.2397661), wk = 0.0023364 k( 367) = ( 0.0000000 0.3702032 0.2511835), wk = 0.0023364 k( 368) = ( 0.0000000 0.3702032 0.2626009), wk = 0.0023364 k( 369) = ( 0.0000000 0.3702032 0.2740184), wk = 0.0023364 k( 370) = ( 0.0000000 0.3702032 0.2854358), wk = 0.0023364 k( 371) = ( 0.0000000 0.3702032 0.2968532), wk = 0.0023364 k( 372) = ( 0.0000000 0.3702032 0.3082707), wk = 0.0023364 k( 373) = ( 0.5000000 -0.0000000 0.3082707), wk = 0.0023364 k( 374) = ( 0.5000000 -0.0000000 0.2968532), wk = 0.0023364 k( 375) = ( 0.5000000 -0.0000000 0.2854358), wk = 0.0023364 k( 376) = ( 0.5000000 -0.0000000 0.2740184), wk = 0.0023364 k( 377) = ( 0.5000000 -0.0000000 0.2626009), wk = 0.0023364 k( 378) = ( 0.5000000 -0.0000000 0.2511835), wk = 0.0023364 k( 379) = ( 0.5000000 -0.0000000 0.2397661), wk = 0.0023364 k( 380) = ( 0.5000000 -0.0000000 0.2283486), wk = 0.0023364 k( 381) = ( 0.5000000 -0.0000000 0.2169312), wk = 0.0023364 k( 382) = ( 0.5000000 -0.0000000 0.2055138), wk = 0.0023364 k( 383) = ( 0.5000000 -0.0000000 0.1940963), wk = 0.0023364 k( 384) = ( 0.5000000 -0.0000000 0.1826789), wk = 0.0023364 k( 385) = ( 0.5000000 -0.0000000 0.1712615), wk = 0.0023364 k( 386) = ( 0.5000000 -0.0000000 0.1598441), wk = 0.0023364 k( 387) = ( 0.5000000 -0.0000000 0.1484266), wk = 0.0023364 k( 388) = ( 0.5000000 -0.0000000 0.1370092), wk = 0.0023364 k( 389) = ( 0.5000000 -0.0000000 0.1255918), wk = 0.0023364 k( 390) = ( 0.5000000 -0.0000000 0.1141743), wk = 0.0023364 k( 391) = ( 0.5000000 -0.0000000 0.1027569), wk = 0.0023364 k( 392) = ( 0.5000000 -0.0000000 0.0913395), wk = 0.0023364 k( 393) = ( 0.5000000 -0.0000000 0.0799220), wk = 0.0023364 k( 394) = ( 0.5000000 -0.0000000 0.0685046), wk = 0.0023364 k( 395) = ( 0.5000000 -0.0000000 0.0570872), wk = 0.0023364 k( 396) = ( 0.5000000 -0.0000000 0.0456697), wk = 0.0023364 k( 397) = ( 0.5000000 -0.0000000 0.0342523), wk = 0.0023364 k( 398) = ( 0.5000000 -0.0000000 0.0228349), wk = 0.0023364 k( 399) = ( 0.5000000 -0.0000000 0.0114174), wk = 0.0023364 k( 400) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023364 k( 401) = ( 0.5000000 0.3702032 -0.0000000), wk = 0.0023364 k( 402) = ( 0.5000000 0.3702032 0.0114174), wk = 0.0023364 k( 403) = ( 0.5000000 0.3702032 0.0228349), wk = 0.0023364 k( 404) = ( 0.5000000 0.3702032 0.0342523), wk = 0.0023364 k( 405) = ( 0.5000000 0.3702032 0.0456697), wk = 0.0023364 k( 406) = ( 0.5000000 0.3702032 0.0570872), wk = 0.0023364 k( 407) = ( 0.5000000 0.3702032 0.0685046), wk = 0.0023364 k( 408) = ( 0.5000000 0.3702032 0.0799220), wk = 0.0023364 k( 409) = ( 0.5000000 0.3702032 0.0913395), wk = 0.0023364 k( 410) = ( 0.5000000 0.3702032 0.1027569), wk = 0.0023364 k( 411) = ( 0.5000000 0.3702032 0.1141743), wk = 0.0023364 k( 412) = ( 0.5000000 0.3702032 0.1255918), wk = 0.0023364 k( 413) = ( 0.5000000 0.3702032 0.1370092), wk = 0.0023364 k( 414) = ( 0.5000000 0.3702032 0.1484266), wk = 0.0023364 k( 415) = ( 0.5000000 0.3702032 0.1598441), wk = 0.0023364 k( 416) = ( 0.5000000 0.3702032 0.1712615), wk = 0.0023364 k( 417) = ( 0.5000000 0.3702032 0.1826789), wk = 0.0023364 k( 418) = ( 0.5000000 0.3702032 0.1940963), wk = 0.0023364 k( 419) = ( 0.5000000 0.3702032 0.2055138), wk = 0.0023364 k( 420) = ( 0.5000000 0.3702032 0.2169312), wk = 0.0023364 k( 421) = ( 0.5000000 0.3702032 0.2283486), wk = 0.0023364 k( 422) = ( 0.5000000 0.3702032 0.2397661), wk = 0.0023364 k( 423) = ( 0.5000000 0.3702032 0.2511835), wk = 0.0023364 k( 424) = ( 0.5000000 0.3702032 0.2626009), wk = 0.0023364 k( 425) = ( 0.5000000 0.3702032 0.2740184), wk = 0.0023364 k( 426) = ( 0.5000000 0.3702032 0.2854358), wk = 0.0023364 k( 427) = ( 0.5000000 0.3702032 0.2968532), wk = 0.0023364 k( 428) = ( 0.5000000 0.3702032 0.3082707), wk = 0.0023364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0113636 -0.0000000 0.0000000), wk = 0.0023364 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0023364 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0023364 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0023364 k( 6) = ( 0.0568182 0.0000000 -0.0000000), wk = 0.0023364 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0023364 k( 8) = ( 0.0795455 -0.0000000 0.0000000), wk = 0.0023364 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0023364 k( 10) = ( 0.1022727 0.0000000 -0.0000000), wk = 0.0023364 k( 11) = ( 0.1136364 0.0000000 -0.0000000), wk = 0.0023364 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0023364 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0023364 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0023364 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0023364 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0023364 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0023364 k( 18) = ( 0.1931818 -0.0000000 0.0000000), wk = 0.0023364 k( 19) = ( 0.2045454 -0.0000000 0.0000000), wk = 0.0023364 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0023364 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0023364 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0023364 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0023364 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0023364 k( 25) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0023364 k( 26) = ( 0.2840909 -0.0000000 0.0000000), wk = 0.0023364 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0023364 k( 28) = ( 0.3068182 -0.0000000 0.0000000), wk = 0.0023364 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0023364 k( 30) = ( 0.3295455 -0.0000000 0.0000000), wk = 0.0023364 k( 31) = ( 0.3409091 0.0000000 -0.0000000), wk = 0.0023364 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0023364 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0023364 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0023364 k( 35) = ( 0.3863636 -0.0000000 0.0000000), wk = 0.0023364 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0023364 k( 37) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0023364 k( 38) = ( 0.4204545 -0.0000000 0.0000000), wk = 0.0023364 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0023364 k( 40) = ( 0.4431818 0.0000000 -0.0000000), wk = 0.0023364 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0023364 k( 42) = ( 0.4659091 0.0000000 -0.0000000), wk = 0.0023364 k( 43) = ( 0.4772727 0.0000000 -0.0000000), wk = 0.0023364 k( 44) = ( 0.4886364 -0.0000000 0.0000000), wk = 0.0023364 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023364 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023364 k( 47) = ( 0.5000000 0.0151515 0.0000000), wk = 0.0023364 k( 48) = ( 0.5000000 0.0303030 0.0000000), wk = 0.0023364 k( 49) = ( 0.5000000 0.0454546 0.0000000), wk = 0.0023364 k( 50) = ( 0.5000000 0.0606061 -0.0000000), wk = 0.0023364 k( 51) = ( 0.5000000 0.0757576 0.0000000), wk = 0.0023364 k( 52) = ( 0.5000000 0.0909091 0.0000000), wk = 0.0023364 k( 53) = ( 0.5000000 0.1060606 0.0000000), wk = 0.0023364 k( 54) = ( 0.5000000 0.1212121 -0.0000000), wk = 0.0023364 k( 55) = ( 0.5000000 0.1363636 0.0000000), wk = 0.0023364 k( 56) = ( 0.5000000 0.1515151 0.0000000), wk = 0.0023364 k( 57) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0023364 k( 58) = ( 0.5000000 0.1818182 0.0000000), wk = 0.0023364 k( 59) = ( 0.5000000 0.1969697 0.0000000), wk = 0.0023364 k( 60) = ( 0.5000000 0.2121212 -0.0000000), wk = 0.0023364 k( 61) = ( 0.5000000 0.2272727 -0.0000000), wk = 0.0023364 k( 62) = ( 0.5000000 0.2424242 0.0000000), wk = 0.0023364 k( 63) = ( 0.5000000 0.2575758 0.0000000), wk = 0.0023364 k( 64) = ( 0.5000000 0.2727273 0.0000000), wk = 0.0023364 k( 65) = ( 0.5000000 0.2878788 0.0000000), wk = 0.0023364 k( 66) = ( 0.5000000 0.3030303 -0.0000000), wk = 0.0023364 k( 67) = ( 0.5000000 0.3181818 -0.0000000), wk = 0.0023364 k( 68) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0023364 k( 69) = ( 0.5000000 0.3484848 0.0000000), wk = 0.0023364 k( 70) = ( 0.5000000 0.3636364 0.0000000), wk = 0.0023364 k( 71) = ( 0.5000000 0.3787879 0.0000000), wk = 0.0023364 k( 72) = ( 0.5000000 0.3939394 -0.0000000), wk = 0.0023364 k( 73) = ( 0.5000000 0.4090909 -0.0000000), wk = 0.0023364 k( 74) = ( 0.5000000 0.4242424 0.0000000), wk = 0.0023364 k( 75) = ( 0.5000000 0.4393939 0.0000000), wk = 0.0023364 k( 76) = ( 0.5000000 0.4545455 0.0000000), wk = 0.0023364 k( 77) = ( 0.5000000 0.4696970 -0.0000000), wk = 0.0023364 k( 78) = ( 0.5000000 0.4848485 -0.0000000), wk = 0.0023364 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 81) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0023364 k( 82) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0023364 k( 83) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0023364 k( 84) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0023364 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0023364 k( 86) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0023364 k( 87) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0023364 k( 88) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0023364 k( 89) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0023364 k( 90) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0023364 k( 91) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0023364 k( 92) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0023364 k( 93) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0023364 k( 94) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0023364 k( 95) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0023364 k( 96) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0023364 k( 97) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0023364 k( 98) = ( 0.2954545 0.5000000 0.0000000), wk = 0.0023364 k( 99) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0023364 k( 100) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0023364 k( 101) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0023364 k( 102) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0023364 k( 103) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0023364 k( 104) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0023364 k( 105) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0023364 k( 106) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0023364 k( 107) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0023364 k( 108) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0023364 k( 109) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0023364 k( 110) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0023364 k( 111) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0023364 k( 112) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0023364 k( 113) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0023364 k( 114) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0023364 k( 115) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0023364 k( 116) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0023364 k( 117) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0023364 k( 118) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0023364 k( 119) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0023364 k( 120) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0023364 k( 121) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0023364 k( 122) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0023364 k( 123) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0023364 k( 124) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023364 k( 125) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023364 k( 126) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0023364 k( 127) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0023364 k( 128) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0023364 k( 129) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0023364 k( 130) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0023364 k( 131) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0023364 k( 132) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0023364 k( 133) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0023364 k( 134) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0023364 k( 135) = ( 0.0000000 0.3484848 -0.0000000), wk = 0.0023364 k( 136) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0023364 k( 137) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0023364 k( 138) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0023364 k( 139) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0023364 k( 140) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0023364 k( 141) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0023364 k( 142) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0023364 k( 143) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0023364 k( 144) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0023364 k( 145) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0023364 k( 146) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0023364 k( 147) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0023364 k( 148) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0023364 k( 149) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0023364 k( 150) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0023364 k( 151) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0023364 k( 152) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0023364 k( 153) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0023364 k( 154) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0023364 k( 155) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0023364 k( 156) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0023364 k( 157) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0023364 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 160) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0023364 k( 161) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0023364 k( 162) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0023364 k( 163) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0023364 k( 164) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0023364 k( 165) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0023364 k( 166) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0023364 k( 167) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0023364 k( 168) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0023364 k( 169) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0023364 k( 170) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0023364 k( 171) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0023364 k( 172) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0023364 k( 173) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0023364 k( 174) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0023364 k( 175) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0023364 k( 176) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0023364 k( 177) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0023364 k( 178) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0023364 k( 179) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0023364 k( 180) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0023364 k( 181) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0023364 k( 182) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0023364 k( 183) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0023364 k( 184) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0023364 k( 185) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0023364 k( 186) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 187) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 188) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0023364 k( 189) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0023364 k( 190) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0023364 k( 191) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0023364 k( 192) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0023364 k( 193) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0023364 k( 194) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0023364 k( 195) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0023364 k( 196) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0023364 k( 197) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0023364 k( 198) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0023364 k( 199) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0023364 k( 200) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0023364 k( 201) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0023364 k( 202) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0023364 k( 203) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0023364 k( 204) = ( 0.1931818 -0.0000000 0.5000000), wk = 0.0023364 k( 205) = ( 0.2045454 -0.0000000 0.5000000), wk = 0.0023364 k( 206) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0023364 k( 207) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0023364 k( 208) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0023364 k( 209) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0023364 k( 210) = ( 0.2613636 -0.0000000 0.5000000), wk = 0.0023364 k( 211) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0023364 k( 212) = ( 0.2840909 -0.0000000 0.5000000), wk = 0.0023364 k( 213) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0023364 k( 214) = ( 0.3068182 -0.0000000 0.5000000), wk = 0.0023364 k( 215) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0023364 k( 216) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0023364 k( 217) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0023364 k( 218) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0023364 k( 219) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0023364 k( 220) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0023364 k( 221) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0023364 k( 222) = ( 0.3977273 -0.0000000 0.5000000), wk = 0.0023364 k( 223) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0023364 k( 224) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0023364 k( 225) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0023364 k( 226) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0023364 k( 227) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0023364 k( 228) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0023364 k( 229) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0023364 k( 230) = ( 0.4886364 -0.0000000 0.5000000), wk = 0.0023364 k( 231) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023364 k( 232) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023364 k( 233) = ( 0.5000000 0.0151515 0.5000000), wk = 0.0023364 k( 234) = ( 0.5000000 0.0303030 0.5000000), wk = 0.0023364 k( 235) = ( 0.5000000 0.0454546 0.5000000), wk = 0.0023364 k( 236) = ( 0.5000000 0.0606061 0.5000000), wk = 0.0023364 k( 237) = ( 0.5000000 0.0757576 0.5000000), wk = 0.0023364 k( 238) = ( 0.5000000 0.0909091 0.5000000), wk = 0.0023364 k( 239) = ( 0.5000000 0.1060606 0.5000000), wk = 0.0023364 k( 240) = ( 0.5000000 0.1212121 0.5000000), wk = 0.0023364 k( 241) = ( 0.5000000 0.1363636 0.5000000), wk = 0.0023364 k( 242) = ( 0.5000000 0.1515151 0.5000000), wk = 0.0023364 k( 243) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0023364 k( 244) = ( 0.5000000 0.1818182 0.5000000), wk = 0.0023364 k( 245) = ( 0.5000000 0.1969697 0.5000000), wk = 0.0023364 k( 246) = ( 0.5000000 0.2121212 0.5000000), wk = 0.0023364 k( 247) = ( 0.5000000 0.2272727 0.5000000), wk = 0.0023364 k( 248) = ( 0.5000000 0.2424242 0.5000000), wk = 0.0023364 k( 249) = ( 0.5000000 0.2575758 0.5000000), wk = 0.0023364 k( 250) = ( 0.5000000 0.2727273 0.5000000), wk = 0.0023364 k( 251) = ( 0.5000000 0.2878788 0.5000000), wk = 0.0023364 k( 252) = ( 0.5000000 0.3030303 0.5000000), wk = 0.0023364 k( 253) = ( 0.5000000 0.3181818 0.5000000), wk = 0.0023364 k( 254) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0023364 k( 255) = ( 0.5000000 0.3484848 0.5000000), wk = 0.0023364 k( 256) = ( 0.5000000 0.3636364 0.5000000), wk = 0.0023364 k( 257) = ( 0.5000000 0.3787879 0.5000000), wk = 0.0023364 k( 258) = ( 0.5000000 0.3939394 0.5000000), wk = 0.0023364 k( 259) = ( 0.5000000 0.4090909 0.5000000), wk = 0.0023364 k( 260) = ( 0.5000000 0.4242424 0.5000000), wk = 0.0023364 k( 261) = ( 0.5000000 0.4393939 0.5000000), wk = 0.0023364 k( 262) = ( 0.5000000 0.4545455 0.5000000), wk = 0.0023364 k( 263) = ( 0.5000000 0.4696970 0.5000000), wk = 0.0023364 k( 264) = ( 0.5000000 0.4848485 0.5000000), wk = 0.0023364 k( 265) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 267) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0023364 k( 268) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0023364 k( 269) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0023364 k( 270) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0023364 k( 271) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0023364 k( 272) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0023364 k( 273) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0023364 k( 274) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0023364 k( 275) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0023364 k( 276) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0023364 k( 277) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0023364 k( 278) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0023364 k( 279) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0023364 k( 280) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0023364 k( 281) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0023364 k( 282) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0023364 k( 283) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0023364 k( 284) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0023364 k( 285) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0023364 k( 286) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0023364 k( 287) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0023364 k( 288) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0023364 k( 289) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0023364 k( 290) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0023364 k( 291) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0023364 k( 292) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0023364 k( 293) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0023364 k( 294) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0023364 k( 295) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0023364 k( 296) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0023364 k( 297) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0023364 k( 298) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0023364 k( 299) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0023364 k( 300) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0023364 k( 301) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0023364 k( 302) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0023364 k( 303) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0023364 k( 304) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0023364 k( 305) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0023364 k( 306) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0023364 k( 307) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0023364 k( 308) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0023364 k( 309) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0023364 k( 310) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023364 k( 311) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023364 k( 312) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0023364 k( 313) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0023364 k( 314) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0023364 k( 315) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0023364 k( 316) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0023364 k( 317) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0023364 k( 318) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0023364 k( 319) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0023364 k( 320) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0023364 k( 321) = ( 0.0000000 0.3484848 0.5000000), wk = 0.0023364 k( 322) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0023364 k( 323) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0023364 k( 324) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0023364 k( 325) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0023364 k( 326) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0023364 k( 327) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0023364 k( 328) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0023364 k( 329) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0023364 k( 330) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0023364 k( 331) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0023364 k( 332) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0023364 k( 333) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0023364 k( 334) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0023364 k( 335) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0023364 k( 336) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0023364 k( 337) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0023364 k( 338) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0023364 k( 339) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0023364 k( 340) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0023364 k( 341) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0023364 k( 342) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0023364 k( 343) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0023364 k( 344) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 345) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023364 k( 346) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0023364 k( 347) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0023364 k( 348) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0023364 k( 349) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0023364 k( 350) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0023364 k( 351) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0023364 k( 352) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0023364 k( 353) = ( 0.0000000 0.5000000 0.1481482), wk = 0.0023364 k( 354) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0023364 k( 355) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0023364 k( 356) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0023364 k( 357) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0023364 k( 358) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0023364 k( 359) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0023364 k( 360) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0023364 k( 361) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0023364 k( 362) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0023364 k( 363) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0023364 k( 364) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0023364 k( 365) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0023364 k( 366) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0023364 k( 367) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0023364 k( 368) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0023364 k( 369) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0023364 k( 370) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0023364 k( 371) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0023364 k( 372) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023364 k( 373) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023364 k( 374) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0023364 k( 375) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0023364 k( 376) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0023364 k( 377) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0023364 k( 378) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0023364 k( 379) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0023364 k( 380) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0023364 k( 381) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0023364 k( 382) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0023364 k( 383) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0023364 k( 384) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0023364 k( 385) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0023364 k( 386) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0023364 k( 387) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0023364 k( 388) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0023364 k( 389) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0023364 k( 390) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0023364 k( 391) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0023364 k( 392) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0023364 k( 393) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0023364 k( 394) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0023364 k( 395) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0023364 k( 396) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0023364 k( 397) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0023364 k( 398) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0023364 k( 399) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0023364 k( 400) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023364 k( 401) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 402) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0023364 k( 403) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0023364 k( 404) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0023364 k( 405) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0023364 k( 406) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0023364 k( 407) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0023364 k( 408) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0023364 k( 409) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0023364 k( 410) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0023364 k( 411) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0023364 k( 412) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0023364 k( 413) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0023364 k( 414) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0023364 k( 415) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0023364 k( 416) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0023364 k( 417) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0023364 k( 418) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0023364 k( 419) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0023364 k( 420) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0023364 k( 421) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0023364 k( 422) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0023364 k( 423) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0023364 k( 424) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0023364 k( 425) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0023364 k( 426) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0023364 k( 427) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0023364 k( 428) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023364 Dense grid: 44171 G-vectors FFT dimensions: ( 36, 45, 60) Smooth grid: 29209 G-vectors FFT dimensions: ( 30, 40, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 160, 48) NL pseudopotentials 0.25 Mb ( 80, 204) Each V/rho on FFT grid 0.05 Mb ( 3240) Each G-vector array 0.01 Mb ( 922) G-vector shells 0.00 Mb ( 474) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 160, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.30 Mb ( 204, 2, 48) The potential is recalculated from file : ./CoSbS.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 48.3 secs Computing kpt #: 2 total cpu time spent up to now is 50.2 secs Computing kpt #: 3 total cpu time spent up to now is 52.0 secs Computing kpt #: 4 total cpu time spent up to now is 53.8 secs Computing kpt #: 5 total cpu time spent up to now is 55.7 secs Computing kpt #: 6 total cpu time spent up to now is 57.6 secs Computing kpt #: 7 total cpu time spent up to now is 59.4 secs Computing kpt #: 8 total cpu time spent up to now is 61.3 secs Computing kpt #: 9 total cpu time spent up to now is 63.1 secs Computing kpt #: 10 total cpu time spent up to now is 65.6 secs Computing kpt #: 11 total cpu time spent up to now is 67.4 secs Computing kpt #: 12 total cpu time spent up to now is 69.0 secs Computing kpt #: 13 total cpu time spent up to now is 71.1 secs Computing kpt #: 14 total cpu time spent up to now is 72.7 secs Computing kpt #: 15 total cpu time spent up to now is 74.4 secs Computing kpt #: 16 total cpu time spent up to now is 75.9 secs Computing kpt #: 17 total cpu time spent up to now is 77.4 secs Computing kpt #: 18 total cpu time spent up to now is 79.3 secs Computing kpt #: 19 total cpu time spent up to now is 80.9 secs Computing kpt #: 20 total cpu time spent up to now is 82.5 secs Computing kpt #: 21 total cpu time spent up to now is 84.1 secs Computing kpt #: 22 total cpu time spent up to now is 85.8 secs Computing kpt #: 23 total cpu time spent up to now is 87.4 secs Computing kpt #: 24 total cpu time spent up to now is 88.8 secs Computing kpt #: 25 total cpu time spent up to now is 90.3 secs Computing kpt #: 26 total cpu time spent up to now is 92.0 secs Computing kpt #: 27 total cpu time spent up to now is 93.5 secs Computing kpt #: 28 total cpu time spent up to now is 95.0 secs Computing kpt #: 29 total cpu time spent up to now is 96.6 secs Computing kpt #: 30 total cpu time spent up to now is 98.2 secs Computing kpt #: 31 total cpu time spent up to now is 99.9 secs Computing kpt #: 32 total cpu time spent up to now is 101.6 secs Computing kpt #: 33 total cpu time spent up to now is 103.6 secs Computing kpt #: 34 total cpu time spent up to now is 105.5 secs Computing kpt #: 35 total cpu time spent up to now is 107.3 secs Computing kpt #: 36 total cpu time spent up to now is 109.1 secs Computing kpt #: 37 total cpu time spent up to now is 110.8 secs Computing kpt #: 38 total cpu time spent up to now is 112.4 secs Computing kpt #: 39 total cpu time spent up to now is 114.0 secs Computing kpt #: 40 total cpu time spent up to now is 115.6 secs Computing kpt #: 41 total cpu time spent up to now is 117.2 secs Computing kpt #: 42 total cpu time spent up to now is 118.8 secs Computing kpt #: 43 total cpu time spent up to now is 120.4 secs Computing kpt #: 44 total cpu time spent up to now is 121.9 secs Computing kpt #: 45 total cpu time spent up to now is 123.6 secs Computing kpt #: 46 total cpu time spent up to now is 125.2 secs Computing kpt #: 47 total cpu time spent up to now is 126.7 secs Computing kpt #: 48 total cpu time spent up to now is 128.3 secs Computing kpt #: 49 total cpu time spent up to now is 129.8 secs Computing kpt #: 50 total cpu time spent up to now is 132.2 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 135.9 secs Computing kpt #: 53 total cpu time spent up to now is 137.4 secs Computing kpt #: 54 total cpu time spent up to now is 139.5 secs Computing kpt #: 55 total cpu time spent up to now is 141.3 secs Computing kpt #: 56 total cpu time spent up to now is 142.9 secs Computing kpt #: 57 total cpu time spent up to now is 144.3 secs Computing kpt #: 58 total cpu time spent up to now is 146.9 secs Computing kpt #: 59 total cpu time spent up to now is 149.7 secs Computing kpt #: 60 total cpu time spent up to now is 152.0 secs Computing kpt #: 61 total cpu time spent up to now is 153.5 secs Computing kpt #: 62 total cpu time spent up to now is 155.3 secs Computing kpt #: 63 total cpu time spent up to now is 156.7 secs Computing kpt #: 64 total cpu time spent up to now is 158.1 secs Computing kpt #: 65 total cpu time spent up to now is 159.8 secs Computing kpt #: 66 total cpu time spent up to now is 161.2 secs Computing kpt #: 67 total cpu time spent up to now is 162.8 secs Computing kpt #: 68 total cpu time spent up to now is 164.4 secs Computing kpt #: 69 total cpu time spent up to now is 167.0 secs Computing kpt #: 70 total cpu time spent up to now is 168.5 secs Computing kpt #: 71 total cpu time spent up to now is 170.4 secs Computing kpt #: 72 total cpu time spent up to now is 171.8 secs Computing kpt #: 73 total cpu time spent up to now is 173.3 secs Computing kpt #: 74 total cpu time spent up to now is 174.9 secs Computing kpt #: 75 total cpu time spent up to now is 176.5 secs Computing kpt #: 76 total cpu time spent up to now is 178.2 secs Computing kpt #: 77 total cpu time spent up to now is 179.9 secs Computing kpt #: 78 total cpu time spent up to now is 181.9 secs Computing kpt #: 79 total cpu time spent up to now is 183.5 secs Computing kpt #: 80 total cpu time spent up to now is 185.0 secs Computing kpt #: 81 total cpu time spent up to now is 186.7 secs Computing kpt #: 82 total cpu time spent up to now is 188.5 secs Computing kpt #: 83 total cpu time spent up to now is 190.3 secs Computing kpt #: 84 total cpu time spent up to now is 192.1 secs Computing kpt #: 85 total cpu time spent up to now is 193.9 secs Computing kpt #: 86 total cpu time spent up to now is 195.8 secs Computing kpt #: 87 total cpu time spent up to now is 197.6 secs Computing kpt #: 88 total cpu time spent up to now is 199.5 secs Computing kpt #: 89 total cpu time spent up to now is 201.6 secs Computing kpt #: 90 total cpu time spent up to now is 203.8 secs Computing kpt #: 91 total cpu time spent up to now is 206.5 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.2 secs Computing kpt #: 93 total cpu time spent up to now is 212.3 secs Computing kpt #: 94 total cpu time spent up to now is 214.7 secs Computing kpt #: 95 total cpu time spent up to now is 216.7 secs Computing kpt #: 96 total cpu time spent up to now is 218.5 secs Computing kpt #: 97 total cpu time spent up to now is 220.1 secs Computing kpt #: 98 total cpu time spent up to now is 221.7 secs Computing kpt #: 99 total cpu time spent up to now is 223.6 secs Computing kpt #: 100 total cpu time spent up to now is 225.3 secs Computing kpt #: 101 total cpu time spent up to now is 226.8 secs Computing kpt #: 102 total cpu time spent up to now is 228.5 secs Computing kpt #: 103 total cpu time spent up to now is 230.3 secs Computing kpt #: 104 total cpu time spent up to now is 231.8 secs Computing kpt #: 105 total cpu time spent up to now is 233.3 secs Computing kpt #: 106 total cpu time spent up to now is 234.8 secs Computing kpt #: 107 total cpu time spent up to now is 236.7 secs Computing kpt #: 108 total cpu time spent up to now is 238.2 secs Computing kpt #: 109 total cpu time spent up to now is 239.6 secs Computing kpt #: 110 total cpu time spent up to now is 241.1 secs Computing kpt #: 111 total cpu time spent up to now is 242.8 secs Computing kpt #: 112 total cpu time spent up to now is 244.4 secs Computing kpt #: 113 total cpu time spent up to now is 246.2 secs Computing kpt #: 114 total cpu time spent up to now is 247.9 secs Computing kpt #: 115 total cpu time spent up to now is 249.7 secs Computing kpt #: 116 total cpu time spent up to now is 251.9 secs Computing kpt #: 117 total cpu time spent up to now is 253.9 secs Computing kpt #: 118 total cpu time spent up to now is 255.9 secs Computing kpt #: 119 total cpu time spent up to now is 257.9 secs Computing kpt #: 120 total cpu time spent up to now is 259.7 secs Computing kpt #: 121 total cpu time spent up to now is 261.5 secs Computing kpt #: 122 total cpu time spent up to now is 263.9 secs Computing kpt #: 123 total cpu time spent up to now is 265.7 secs Computing kpt #: 124 total cpu time spent up to now is 267.4 secs Computing kpt #: 125 total cpu time spent up to now is 269.2 secs Computing kpt #: 126 total cpu time spent up to now is 270.9 secs Computing kpt #: 127 total cpu time spent up to now is 272.8 secs Computing kpt #: 128 total cpu time spent up to now is 274.5 secs Computing kpt #: 129 total cpu time spent up to now is 276.3 secs Computing kpt #: 130 total cpu time spent up to now is 278.1 secs Computing kpt #: 131 total cpu time spent up to now is 279.9 secs Computing kpt #: 132 total cpu time spent up to now is 281.7 secs Computing kpt #: 133 total cpu time spent up to now is 283.5 secs Computing kpt #: 134 total cpu time spent up to now is 285.5 secs Computing kpt #: 135 total cpu time spent up to now is 287.3 secs Computing kpt #: 136 total cpu time spent up to now is 289.0 secs Computing kpt #: 137 total cpu time spent up to now is 290.7 secs Computing kpt #: 138 total cpu time spent up to now is 292.4 secs Computing kpt #: 139 total cpu time spent up to now is 294.3 secs Computing kpt #: 140 total cpu time spent up to now is 296.0 secs Computing kpt #: 141 total cpu time spent up to now is 298.6 secs Computing kpt #: 142 total cpu time spent up to now is 300.3 secs Computing kpt #: 143 total cpu time spent up to now is 302.2 secs Computing kpt #: 144 total cpu time spent up to now is 304.0 secs Computing kpt #: 145 total cpu time spent up to now is 305.8 secs Computing kpt #: 146 total cpu time spent up to now is 307.6 secs Computing kpt #: 147 total cpu time spent up to now is 309.7 secs Computing kpt #: 148 total cpu time spent up to now is 311.5 secs Computing kpt #: 149 total cpu time spent up to now is 313.5 secs Computing kpt #: 150 total cpu time spent up to now is 315.6 secs Computing kpt #: 151 total cpu time spent up to now is 317.7 secs Computing kpt #: 152 total cpu time spent up to now is 319.6 secs Computing kpt #: 153 total cpu time spent up to now is 321.5 secs Computing kpt #: 154 total cpu time spent up to now is 323.4 secs Computing kpt #: 155 total cpu time spent up to now is 325.5 secs Computing kpt #: 156 total cpu time spent up to now is 327.5 secs Computing kpt #: 157 total cpu time spent up to now is 329.4 secs Computing kpt #: 158 total cpu time spent up to now is 331.2 secs Computing kpt #: 159 total cpu time spent up to now is 333.1 secs Computing kpt #: 160 total cpu time spent up to now is 334.9 secs Computing kpt #: 161 total cpu time spent up to now is 336.8 secs Computing kpt #: 162 total cpu time spent up to now is 338.6 secs Computing kpt #: 163 total cpu time spent up to now is 340.4 secs Computing kpt #: 164 total cpu time spent up to now is 342.5 secs Computing kpt #: 165 total cpu time spent up to now is 344.5 secs Computing kpt #: 166 total cpu time spent up to now is 346.4 secs Computing kpt #: 167 total cpu time spent up to now is 348.4 secs Computing kpt #: 168 total cpu time spent up to now is 350.4 secs Computing kpt #: 169 total cpu time spent up to now is 352.4 secs Computing kpt #: 170 total cpu time spent up to now is 354.6 secs Computing kpt #: 171 total cpu time spent up to now is 357.1 secs Computing kpt #: 172 total cpu time spent up to now is 360.3 secs Computing kpt #: 173 total cpu time spent up to now is 362.8 secs Computing kpt #: 174 total cpu time spent up to now is 365.5 secs Computing kpt #: 175 total cpu time spent up to now is 368.0 secs Computing kpt #: 176 total cpu time spent up to now is 370.3 secs Computing kpt #: 177 total cpu time spent up to now is 372.5 secs Computing kpt #: 178 total cpu time spent up to now is 374.5 secs Computing kpt #: 179 total cpu time spent up to now is 376.3 secs Computing kpt #: 180 total cpu time spent up to now is 378.1 secs Computing kpt #: 181 total cpu time spent up to now is 379.9 secs Computing kpt #: 182 total cpu time spent up to now is 381.9 secs Computing kpt #: 183 total cpu time spent up to now is 383.7 secs Computing kpt #: 184 total cpu time spent up to now is 385.5 secs Computing kpt #: 185 total cpu time spent up to now is 387.2 secs Computing kpt #: 186 total cpu time spent up to now is 388.8 secs Computing kpt #: 187 total cpu time spent up to now is 390.3 secs Computing kpt #: 188 total cpu time spent up to now is 392.0 secs Computing kpt #: 189 total cpu time spent up to now is 393.6 secs Computing kpt #: 190 total cpu time spent up to now is 395.3 secs Computing kpt #: 191 total cpu time spent up to now is 397.3 secs Computing kpt #: 192 total cpu time spent up to now is 399.2 secs Computing kpt #: 193 total cpu time spent up to now is 401.3 secs Computing kpt #: 194 total cpu time spent up to now is 403.1 secs Computing kpt #: 195 total cpu time spent up to now is 405.1 secs Computing kpt #: 196 total cpu time spent up to now is 407.4 secs Computing kpt #: 197 total cpu time spent up to now is 410.3 secs Computing kpt #: 198 total cpu time spent up to now is 412.3 secs Computing kpt #: 199 total cpu time spent up to now is 414.1 secs Computing kpt #: 200 total cpu time spent up to now is 415.9 secs Computing kpt #: 201 total cpu time spent up to now is 417.6 secs Computing kpt #: 202 total cpu time spent up to now is 419.2 secs Computing kpt #: 203 total cpu time spent up to now is 420.9 secs Computing kpt #: 204 total cpu time spent up to now is 422.4 secs Computing kpt #: 205 total cpu time spent up to now is 424.1 secs Computing kpt #: 206 total cpu time spent up to now is 425.7 secs Computing kpt #: 207 total cpu time spent up to now is 427.3 secs Computing kpt #: 208 total cpu time spent up to now is 428.8 secs Computing kpt #: 209 total cpu time spent up to now is 430.4 secs Computing kpt #: 210 total cpu time spent up to now is 431.9 secs Computing kpt #: 211 total cpu time spent up to now is 433.5 secs Computing kpt #: 212 total cpu time spent up to now is 435.1 secs Computing kpt #: 213 total cpu time spent up to now is 436.6 secs Computing kpt #: 214 total cpu time spent up to now is 438.1 secs Computing kpt #: 215 total cpu time spent up to now is 439.7 secs Computing kpt #: 216 total cpu time spent up to now is 441.4 secs Computing kpt #: 217 total cpu time spent up to now is 442.9 secs Computing kpt #: 218 total cpu time spent up to now is 444.4 secs Computing kpt #: 219 total cpu time spent up to now is 446.1 secs Computing kpt #: 220 total cpu time spent up to now is 447.6 secs Computing kpt #: 221 total cpu time spent up to now is 449.0 secs Computing kpt #: 222 total cpu time spent up to now is 450.5 secs Computing kpt #: 223 total cpu time spent up to now is 452.1 secs Computing kpt #: 224 total cpu time spent up to now is 453.6 secs Computing kpt #: 225 total cpu time spent up to now is 455.1 secs Computing kpt #: 226 total cpu time spent up to now is 456.6 secs Computing kpt #: 227 total cpu time spent up to now is 458.1 secs Computing kpt #: 228 total cpu time spent up to now is 459.5 secs Computing kpt #: 229 total cpu time spent up to now is 461.0 secs Computing kpt #: 230 total cpu time spent up to now is 462.4 secs Computing kpt #: 231 total cpu time spent up to now is 464.0 secs Computing kpt #: 232 total cpu time spent up to now is 465.5 secs Computing kpt #: 233 total cpu time spent up to now is 466.9 secs Computing kpt #: 234 total cpu time spent up to now is 468.5 secs Computing kpt #: 235 total cpu time spent up to now is 470.0 secs Computing kpt #: 236 total cpu time spent up to now is 471.5 secs Computing kpt #: 237 total cpu time spent up to now is 472.9 secs Computing kpt #: 238 total cpu time spent up to now is 474.4 secs Computing kpt #: 239 total cpu time spent up to now is 475.9 secs Computing kpt #: 240 total cpu time spent up to now is 477.5 secs Computing kpt #: 241 total cpu time spent up to now is 479.0 secs Computing kpt #: 242 total cpu time spent up to now is 480.7 secs Computing kpt #: 243 total cpu time spent up to now is 482.3 secs Computing kpt #: 244 total cpu time spent up to now is 483.8 secs Computing kpt #: 245 total cpu time spent up to now is 485.4 secs Computing kpt #: 246 total cpu time spent up to now is 486.9 secs Computing kpt #: 247 total cpu time spent up to now is 488.5 secs Computing kpt #: 248 total cpu time spent up to now is 490.1 secs Computing kpt #: 249 total cpu time spent up to now is 491.6 secs Computing kpt #: 250 total cpu time spent up to now is 493.1 secs Computing kpt #: 251 total cpu time spent up to now is 495.0 secs Computing kpt #: 252 total cpu time spent up to now is 496.8 secs Computing kpt #: 253 total cpu time spent up to now is 498.7 secs Computing kpt #: 254 total cpu time spent up to now is 500.4 secs Computing kpt #: 255 total cpu time spent up to now is 502.4 secs Computing kpt #: 256 total cpu time spent up to now is 504.3 secs Computing kpt #: 257 total cpu time spent up to now is 506.3 secs Computing kpt #: 258 total cpu time spent up to now is 509.1 secs Computing kpt #: 259 total cpu time spent up to now is 511.9 secs Computing kpt #: 260 total cpu time spent up to now is 514.2 secs Computing kpt #: 261 total cpu time spent up to now is 516.4 secs Computing kpt #: 262 total cpu time spent up to now is 518.4 secs Computing kpt #: 263 total cpu time spent up to now is 520.4 secs Computing kpt #: 264 total cpu time spent up to now is 522.4 secs Computing kpt #: 265 total cpu time spent up to now is 524.8 secs Computing kpt #: 266 total cpu time spent up to now is 526.8 secs Computing kpt #: 267 total cpu time spent up to now is 528.7 secs Computing kpt #: 268 total cpu time spent up to now is 530.9 secs Computing kpt #: 269 total cpu time spent up to now is 532.9 secs Computing kpt #: 270 total cpu time spent up to now is 535.0 secs Computing kpt #: 271 total cpu time spent up to now is 537.0 secs Computing kpt #: 272 total cpu time spent up to now is 538.9 secs Computing kpt #: 273 total cpu time spent up to now is 540.7 secs Computing kpt #: 274 total cpu time spent up to now is 542.8 secs Computing kpt #: 275 total cpu time spent up to now is 544.8 secs Computing kpt #: 276 total cpu time spent up to now is 546.6 secs Computing kpt #: 277 total cpu time spent up to now is 548.4 secs Computing kpt #: 278 total cpu time spent up to now is 550.5 secs Computing kpt #: 279 total cpu time spent up to now is 552.3 secs Computing kpt #: 280 total cpu time spent up to now is 554.2 secs Computing kpt #: 281 total cpu time spent up to now is 555.9 secs Computing kpt #: 282 total cpu time spent up to now is 557.5 secs Computing kpt #: 283 total cpu time spent up to now is 559.0 secs Computing kpt #: 284 total cpu time spent up to now is 560.6 secs Computing kpt #: 285 total cpu time spent up to now is 562.1 secs Computing kpt #: 286 total cpu time spent up to now is 563.6 secs Computing kpt #: 287 total cpu time spent up to now is 565.1 secs Computing kpt #: 288 total cpu time spent up to now is 566.8 secs Computing kpt #: 289 total cpu time spent up to now is 568.5 secs Computing kpt #: 290 total cpu time spent up to now is 570.0 secs Computing kpt #: 291 total cpu time spent up to now is 571.4 secs Computing kpt #: 292 total cpu time spent up to now is 572.9 secs Computing kpt #: 293 total cpu time spent up to now is 574.5 secs Computing kpt #: 294 total cpu time spent up to now is 576.1 secs Computing kpt #: 295 total cpu time spent up to now is 577.6 secs Computing kpt #: 296 total cpu time spent up to now is 579.1 secs Computing kpt #: 297 total cpu time spent up to now is 580.6 secs Computing kpt #: 298 total cpu time spent up to now is 582.1 secs Computing kpt #: 299 total cpu time spent up to now is 583.7 secs Computing kpt #: 300 total cpu time spent up to now is 585.1 secs Computing kpt #: 301 total cpu time spent up to now is 586.6 secs Computing kpt #: 302 total cpu time spent up to now is 588.5 secs Computing kpt #: 303 total cpu time spent up to now is 590.4 secs Computing kpt #: 304 total cpu time spent up to now is 592.7 secs Computing kpt #: 305 total cpu time spent up to now is 594.3 secs Computing kpt #: 306 total cpu time spent up to now is 595.8 secs Computing kpt #: 307 total cpu time spent up to now is 598.3 secs Computing kpt #: 308 total cpu time spent up to now is 599.9 secs Computing kpt #: 309 total cpu time spent up to now is 601.5 secs Computing kpt #: 310 total cpu time spent up to now is 603.0 secs Computing kpt #: 311 total cpu time spent up to now is 604.5 secs Computing kpt #: 312 total cpu time spent up to now is 606.1 secs Computing kpt #: 313 total cpu time spent up to now is 607.6 secs Computing kpt #: 314 total cpu time spent up to now is 609.1 secs Computing kpt #: 315 total cpu time spent up to now is 610.6 secs Computing kpt #: 316 total cpu time spent up to now is 612.2 secs Computing kpt #: 317 total cpu time spent up to now is 613.8 secs Computing kpt #: 318 total cpu time spent up to now is 615.4 secs Computing kpt #: 319 total cpu time spent up to now is 616.9 secs Computing kpt #: 320 total cpu time spent up to now is 618.5 secs Computing kpt #: 321 total cpu time spent up to now is 620.1 secs Computing kpt #: 322 total cpu time spent up to now is 621.7 secs Computing kpt #: 323 total cpu time spent up to now is 623.3 secs Computing kpt #: 324 total cpu time spent up to now is 625.0 secs Computing kpt #: 325 total cpu time spent up to now is 626.8 secs Computing kpt #: 326 total cpu time spent up to now is 629.4 secs Computing kpt #: 327 total cpu time spent up to now is 631.5 secs Computing kpt #: 328 total cpu time spent up to now is 633.4 secs Computing kpt #: 329 total cpu time spent up to now is 635.4 secs Computing kpt #: 330 total cpu time spent up to now is 637.4 secs Computing kpt #: 331 total cpu time spent up to now is 639.4 secs Computing kpt #: 332 total cpu time spent up to now is 641.4 secs Computing kpt #: 333 total cpu time spent up to now is 643.4 secs Computing kpt #: 334 total cpu time spent up to now is 645.4 secs Computing kpt #: 335 total cpu time spent up to now is 647.3 secs Computing kpt #: 336 total cpu time spent up to now is 649.1 secs Computing kpt #: 337 total cpu time spent up to now is 650.9 secs Computing kpt #: 338 total cpu time spent up to now is 655.0 secs Computing kpt #: 339 total cpu time spent up to now is 656.7 secs Computing kpt #: 340 total cpu time spent up to now is 658.3 secs Computing kpt #: 341 total cpu time spent up to now is 661.9 secs Computing kpt #: 342 total cpu time spent up to now is 664.0 secs Computing kpt #: 343 total cpu time spent up to now is 665.7 secs Computing kpt #: 344 total cpu time spent up to now is 667.3 secs Computing kpt #: 345 total cpu time spent up to now is 669.2 secs Computing kpt #: 346 total cpu time spent up to now is 671.1 secs Computing kpt #: 347 total cpu time spent up to now is 673.0 secs Computing kpt #: 348 total cpu time spent up to now is 674.8 secs Computing kpt #: 349 total cpu time spent up to now is 676.9 secs Computing kpt #: 350 total cpu time spent up to now is 678.6 secs Computing kpt #: 351 total cpu time spent up to now is 681.7 secs Computing kpt #: 352 total cpu time spent up to now is 683.9 secs Computing kpt #: 353 total cpu time spent up to now is 685.8 secs Computing kpt #: 354 total cpu time spent up to now is 687.6 secs Computing kpt #: 355 total cpu time spent up to now is 689.5 secs Computing kpt #: 356 total cpu time spent up to now is 691.2 secs Computing kpt #: 357 total cpu time spent up to now is 692.8 secs Computing kpt #: 358 total cpu time spent up to now is 694.5 secs Computing kpt #: 359 total cpu time spent up to now is 696.1 secs Computing kpt #: 360 total cpu time spent up to now is 697.7 secs Computing kpt #: 361 total cpu time spent up to now is 699.2 secs Computing kpt #: 362 total cpu time spent up to now is 700.8 secs Computing kpt #: 363 total cpu time spent up to now is 702.4 secs Computing kpt #: 364 total cpu time spent up to now is 704.4 secs Computing kpt #: 365 total cpu time spent up to now is 706.4 secs Computing kpt #: 366 total cpu time spent up to now is 708.3 secs Computing kpt #: 367 total cpu time spent up to now is 710.2 secs Computing kpt #: 368 total cpu time spent up to now is 711.8 secs Computing kpt #: 369 total cpu time spent up to now is 713.3 secs Computing kpt #: 370 total cpu time spent up to now is 714.8 secs Computing kpt #: 371 total cpu time spent up to now is 716.3 secs Computing kpt #: 372 total cpu time spent up to now is 717.8 secs Computing kpt #: 373 total cpu time spent up to now is 719.4 secs Computing kpt #: 374 total cpu time spent up to now is 720.9 secs Computing kpt #: 375 total cpu time spent up to now is 722.3 secs Computing kpt #: 376 total cpu time spent up to now is 723.8 secs Computing kpt #: 377 total cpu time spent up to now is 725.8 secs Computing kpt #: 378 total cpu time spent up to now is 727.4 secs Computing kpt #: 379 total cpu time spent up to now is 728.9 secs Computing kpt #: 380 total cpu time spent up to now is 730.4 secs Computing kpt #: 381 total cpu time spent up to now is 731.9 secs Computing kpt #: 382 total cpu time spent up to now is 733.4 secs Computing kpt #: 383 total cpu time spent up to now is 735.0 secs Computing kpt #: 384 total cpu time spent up to now is 736.5 secs Computing kpt #: 385 total cpu time spent up to now is 738.3 secs Computing kpt #: 386 total cpu time spent up to now is 740.1 secs Computing kpt #: 387 total cpu time spent up to now is 742.2 secs Computing kpt #: 388 total cpu time spent up to now is 743.8 secs Computing kpt #: 389 total cpu time spent up to now is 745.4 secs Computing kpt #: 390 total cpu time spent up to now is 747.0 secs Computing kpt #: 391 total cpu time spent up to now is 748.7 secs Computing kpt #: 392 total cpu time spent up to now is 750.4 secs Computing kpt #: 393 total cpu time spent up to now is 752.2 secs Computing kpt #: 394 total cpu time spent up to now is 753.9 secs Computing kpt #: 395 total cpu time spent up to now is 755.5 secs Computing kpt #: 396 total cpu time spent up to now is 757.2 secs Computing kpt #: 397 total cpu time spent up to now is 758.8 secs Computing kpt #: 398 total cpu time spent up to now is 760.3 secs Computing kpt #: 399 total cpu time spent up to now is 761.9 secs Computing kpt #: 400 total cpu time spent up to now is 763.4 secs Computing kpt #: 401 total cpu time spent up to now is 765.1 secs Computing kpt #: 402 total cpu time spent up to now is 766.7 secs Computing kpt #: 403 total cpu time spent up to now is 768.4 secs Computing kpt #: 404 total cpu time spent up to now is 770.0 secs Computing kpt #: 405 total cpu time spent up to now is 771.7 secs Computing kpt #: 406 total cpu time spent up to now is 773.4 secs Computing kpt #: 407 total cpu time spent up to now is 776.1 secs Computing kpt #: 408 total cpu time spent up to now is 777.8 secs Computing kpt #: 409 total cpu time spent up to now is 779.6 secs Computing kpt #: 410 total cpu time spent up to now is 781.7 secs Computing kpt #: 411 total cpu time spent up to now is 783.6 secs Computing kpt #: 412 total cpu time spent up to now is 785.4 secs Computing kpt #: 413 total cpu time spent up to now is 787.1 secs Computing kpt #: 414 total cpu time spent up to now is 789.1 secs Computing kpt #: 415 total cpu time spent up to now is 791.0 secs Computing kpt #: 416 total cpu time spent up to now is 793.1 secs Computing kpt #: 417 total cpu time spent up to now is 795.2 secs Computing kpt #: 418 total cpu time spent up to now is 797.1 secs Computing kpt #: 419 total cpu time spent up to now is 799.1 secs Computing kpt #: 420 total cpu time spent up to now is 801.0 secs Computing kpt #: 421 total cpu time spent up to now is 803.0 secs Computing kpt #: 422 total cpu time spent up to now is 805.0 secs Computing kpt #: 423 total cpu time spent up to now is 807.8 secs Computing kpt #: 424 total cpu time spent up to now is 810.9 secs Computing kpt #: 425 total cpu time spent up to now is 813.4 secs Computing kpt #: 426 total cpu time spent up to now is 815.4 secs Computing kpt #: 427 total cpu time spent up to now is 817.5 secs Computing kpt #: 428 total cpu time spent up to now is 819.9 secs ethr = 2.50E-11, avg # of iterations = 31.7 total cpu time spent up to now is 820.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3619 PWs) bands (ev): -5.0785 -5.0785 -3.4167 -3.4167 0.2284 0.2284 0.5242 0.5242 3.2936 3.2936 4.8065 4.8065 5.3746 5.3746 6.0682 6.0682 6.2195 6.2195 6.4578 6.4578 6.5815 6.5815 7.5863 7.5863 7.8784 7.8784 8.2594 8.2594 8.5077 8.5077 8.6522 8.6522 8.6886 8.6886 8.7797 8.7797 9.0722 9.0722 9.9132 9.9132 10.4407 10.4407 12.1069 12.1069 13.3740 13.3740 13.4747 13.4747 k = 0.0114-0.0000-0.0000 ( 3635 PWs) bands (ev): -5.0776 -5.0775 -3.4166 -3.4165 0.2290 0.2291 0.5249 0.5252 3.2948 3.2949 4.8047 4.8082 5.3750 5.3750 6.0497 6.0727 6.2067 6.2400 6.4565 6.4583 6.5791 6.5817 7.5847 7.5874 7.8620 7.8769 8.2630 8.2710 8.5062 8.5074 8.6500 8.6538 8.6844 8.6871 8.7792 8.7798 9.0721 9.0755 9.9089 9.9152 10.4403 10.4433 12.0970 12.1119 13.3583 13.3810 13.4614 13.4626 k = 0.0227-0.0000-0.0000 ( 3627 PWs) bands (ev): -5.0747 -5.0745 -3.4160 -3.4159 0.2306 0.2308 0.5275 0.5280 3.2988 3.2988 4.8027 4.8098 5.3761 5.3761 6.0225 6.0600 6.2049 6.2632 6.4543 6.4580 6.5746 6.5799 7.5825 7.5884 7.8321 7.8592 8.2810 8.2941 8.5034 8.5059 8.6474 8.6544 8.6746 8.6808 8.7783 8.7796 9.0750 9.0819 9.9023 9.9147 10.4423 10.4482 12.0823 12.1118 13.3335 13.3756 13.4263 13.4292 k = 0.0341-0.0000-0.0000 ( 3635 PWs) bands (ev): -5.0700 -5.0697 -3.4150 -3.4148 0.2334 0.2337 0.5320 0.5327 3.3053 3.3053 4.8004 4.8112 5.3779 5.3780 5.9901 6.0340 6.2097 6.2854 6.4511 6.4569 6.5680 6.5761 7.5787 7.5889 7.7951 7.8305 8.3082 8.3229 8.4991 8.5028 8.6442 8.6508 8.6592 8.6728 8.7769 8.7790 9.0811 9.0913 9.8937 9.9119 10.4464 10.4553 12.0630 12.1066 13.2939 13.3381 13.3790 13.3966 k = 0.0455-0.0000-0.0000 ( 3645 PWs) bands (ev): -5.0633 -5.0630 -3.4137 -3.4134 0.2373 0.2377 0.5381 0.5391 3.3144 3.3145 4.7975 4.8123 5.3804 5.3805 5.9542 6.0003 6.2152 6.3046 6.4468 6.4549 6.5594 6.5705 7.5723 7.5888 7.7573 7.7974 8.3393 8.3529 8.4936 8.4986 8.6349 8.6370 8.6440 8.6694 8.7752 8.7781 9.0900 9.1034 9.8833 9.9067 10.4527 10.4645 12.0393 12.0962 13.2302 13.2623 13.3337 13.3744 k = 0.0568-0.0000-0.0000 ( 3653 PWs) bands (ev): -5.0547 -5.0543 -3.4120 -3.4116 0.2424 0.2429 0.5461 0.5473 3.3261 3.3262 4.7938 4.8129 5.3836 5.3837 5.9161 5.9625 6.2176 6.3195 6.4412 6.4519 6.5488 6.5631 7.5618 7.5879 7.7239 7.7648 8.3701 8.3807 8.4870 8.4939 8.6094 8.6142 8.6391 8.6702 8.7732 8.7770 9.1015 9.1180 9.8713 9.8994 10.4611 10.4757 12.0114 12.0807 13.1425 13.1666 13.2940 13.3485 k = 0.0682-0.0000-0.0000 ( 3651 PWs) bands (ev): -5.0443 -5.0438 -3.4099 -3.4095 0.2486 0.2491 0.5558 0.5572 3.3404 3.3405 4.7891 4.8127 5.3874 5.3874 5.8764 5.9222 6.2149 6.3290 6.4341 6.4477 6.5363 6.5542 7.5465 7.5857 7.6985 7.7363 8.3974 8.4043 8.4793 8.4897 8.5781 8.5859 8.6351 8.6725 8.7709 8.7756 9.1155 9.1347 9.8580 9.8901 10.4714 10.4887 11.9797 12.0601 13.0387 13.0583 13.2555 13.3156 k = 0.0795-0.0000-0.0000 ( 3647 PWs) bands (ev): -5.0319 -5.0314 -3.4075 -3.4070 0.2558 0.2565 0.5672 0.5688 3.3573 3.3574 4.7828 4.8116 5.3917 5.3917 5.8360 5.8805 6.2062 6.3324 6.4251 6.4419 6.5222 6.5440 7.5278 7.5825 7.6816 7.7138 8.4169 8.4219 8.4697 8.4883 8.5432 8.5551 8.6307 8.6756 8.7682 8.7738 9.1313 9.1529 9.8437 9.8792 10.4834 10.5034 11.9444 12.0346 12.9242 12.9408 13.2153 13.2760 k = 0.0909-0.0000-0.0000 ( 3647 PWs) bands (ev): -5.0178 -5.0171 -3.4049 -3.4043 0.2641 0.2649 0.5802 0.5821 3.3767 3.3769 4.7744 4.8088 5.3964 5.3964 5.7953 5.8381 6.1914 6.3294 6.4139 6.4340 6.5067 6.5326 7.5093 7.5793 7.6713 7.6976 8.4217 8.4311 8.4555 8.4916 8.5100 8.5278 8.6260 8.6791 8.7651 8.7717 9.1484 9.1722 9.8285 9.8666 10.4968 10.5194 11.9060 12.0044 12.8024 12.8169 13.1726 13.2307 k = 0.1023-0.0000-0.0000 ( 3651 PWs) bands (ev): -5.0018 -5.0010 -3.4020 -3.4014 0.2735 0.2744 0.5949 0.5970 3.3986 3.3989 4.7635 4.8040 5.4013 5.4015 5.7550 5.7956 6.1706 6.3201 6.4003 6.4234 6.4900 6.5201 7.4942 7.5776 7.6649 7.6868 8.4054 8.4180 8.4437 8.4755 8.5099 8.5119 8.6207 8.6827 8.7615 8.7692 9.1663 9.1920 9.8125 9.8526 10.5115 10.5365 11.8650 11.9699 12.6754 12.6885 13.1270 13.1810 k = 0.1136-0.0000-0.0000 ( 3651 PWs) bands (ev): -4.9840 -4.9831 -3.3989 -3.3983 0.2840 0.2850 0.6111 0.6134 3.4231 3.4234 4.7494 4.7965 5.4064 5.4067 5.7158 5.7536 6.1445 6.3049 6.3842 6.4097 6.4726 6.5067 7.4848 7.5788 7.6606 7.6798 8.3679 8.3778 8.4410 8.4594 8.5067 8.5245 8.6148 8.6865 8.7576 8.7663 9.1843 9.2118 9.7957 9.8374 10.5272 10.5547 11.8219 11.9315 12.5451 12.5574 13.0785 13.1280 k = 0.1250-0.0000-0.0000 ( 3647 PWs) bands (ev): -4.9644 -4.9635 -3.3958 -3.3951 0.2954 0.2966 0.6287 0.6313 3.4500 3.4503 4.7314 4.7856 5.4116 5.4121 5.6783 5.7128 6.1144 6.2844 6.3655 6.3925 6.4548 6.4925 7.4820 7.5837 7.6571 7.6755 8.3182 8.3279 8.4382 8.4504 8.5057 8.5390 8.6084 8.6902 8.7531 8.7629 9.2020 9.2313 9.7783 9.8210 10.5437 10.5734 11.7773 11.8898 12.4128 12.4249 13.0273 13.0725 k = 0.1364-0.0000-0.0000 ( 3653 PWs) bands (ev): -4.9431 -4.9421 -3.3925 -3.3918 0.3079 0.3091 0.6478 0.6505 3.4793 3.4797 4.7089 4.7703 5.4165 5.4173 5.6431 5.6740 6.0812 6.2596 6.3442 6.3719 6.4369 6.4772 7.4855 7.5915 7.6538 7.6735 8.2623 8.2729 8.4355 8.4447 8.5052 8.5520 8.6018 8.6936 8.7481 8.7591 9.2188 9.2498 9.7602 9.8033 10.5607 10.5927 11.7319 11.8452 12.2799 12.2923 12.9733 13.0152 k = 0.1477-0.0000-0.0000 ( 3659 PWs) bands (ev): -4.9200 -4.9190 -3.3893 -3.3886 0.3213 0.3226 0.6682 0.6711 3.5110 3.5115 4.6815 4.7500 5.4211 5.4222 5.6109 5.6379 6.0465 6.2319 6.3204 6.3480 6.4185 6.4609 7.4943 7.6000 7.6507 7.6753 8.2027 8.2147 8.4338 8.4416 8.5040 8.5623 8.5956 8.6967 8.7427 8.7548 9.2347 9.2674 9.7413 9.7845 10.5780 10.6121 11.6862 11.7984 12.1472 12.1608 12.9168 12.9565 k = 0.1591-0.0000-0.0000 ( 3659 PWs) bands (ev): -4.8953 -4.8942 -3.3861 -3.3854 0.3356 0.3371 0.6897 0.6929 3.5451 3.5457 4.6486 4.7240 5.4251 5.4266 5.5821 5.6052 6.0116 6.2025 6.2944 6.3213 6.3995 6.4433 7.5068 7.6054 7.6484 7.6835 8.1409 8.1542 8.4332 8.4409 8.5021 8.5673 8.5925 8.6996 8.7368 8.7501 9.2493 9.2838 9.7215 9.7645 10.5954 10.6315 11.6409 11.7496 12.0158 12.0317 12.8580 12.8967 k = 0.1705-0.0000-0.0000 ( 3665 PWs) bands (ev): -4.8690 -4.8678 -3.3830 -3.3823 0.3508 0.3525 0.7124 0.7157 3.5816 3.5822 4.6103 4.6919 5.4281 5.4301 5.5567 5.5765 5.9776 6.1730 6.2663 6.2921 6.3794 6.4242 7.5203 7.6047 7.6483 7.6999 8.0778 8.0924 8.4337 8.4426 8.4996 8.5640 8.5958 8.7022 8.7304 8.7449 9.2625 9.2991 9.7007 9.7432 10.6127 10.6508 11.5966 11.6986 11.8865 11.9067 12.7968 12.8357 k = 0.1818-0.0000-0.0000 ( 3657 PWs) bands (ev): -4.8411 -4.8398 -3.3802 -3.3795 0.3669 0.3687 0.7360 0.7395 3.6203 3.6210 4.5668 4.6536 5.4300 5.4325 5.5349 5.5519 5.9457 6.1445 6.2363 6.2608 6.3579 6.4035 7.5316 7.5981 7.6530 7.7231 8.0146 8.0300 8.4348 8.4466 8.4972 8.5554 8.6025 8.7045 8.7237 8.7393 9.2743 9.3131 9.6789 9.7206 10.6298 10.6698 11.5536 11.6434 11.7603 11.7895 12.7335 12.7739 k = 0.1932-0.0000-0.0000 ( 3641 PWs) bands (ev): -4.8117 -4.8103 -3.3777 -3.3770 0.3839 0.3858 0.7604 0.7641 3.6612 3.6620 4.5186 4.6094 5.4305 5.4334 5.5163 5.5312 5.9170 6.1182 6.2047 6.2278 6.3346 6.3809 7.5374 7.5871 7.6650 7.7502 7.9529 7.9675 8.4355 8.4530 8.4959 8.5444 8.6097 8.7066 8.7165 8.7333 9.2846 9.3259 9.6561 9.6966 10.6463 10.6883 11.5118 11.5766 11.6387 11.6889 12.6683 12.7110 k = 0.2045-0.0000-0.0000 ( 3645 PWs) bands (ev): -4.7808 -4.7793 -3.3755 -3.3749 0.4016 0.4036 0.7854 0.7893 3.7042 3.7051 4.4663 4.5600 5.4291 5.4323 5.5003 5.5136 5.8923 6.0949 6.1717 6.1934 6.3094 6.3562 7.5366 7.5725 7.6845 7.7768 7.8959 7.9054 8.4344 8.4614 8.4969 8.5320 8.6168 8.7084 8.7091 8.7270 9.2934 9.3377 9.6321 9.6710 10.6621 10.7061 11.4660 11.4886 11.5277 11.6154 12.6012 12.6472 k = 0.2159-0.0000-0.0000 ( 3643 PWs) bands (ev): -4.7485 -4.7470 -3.3739 -3.3733 0.4201 0.4222 0.8110 0.8150 3.7493 3.7504 4.4109 4.5064 5.4253 5.4288 5.4863 5.4986 5.8724 6.0752 6.1377 6.1583 6.2822 6.3293 7.5305 7.5544 7.7097 7.7871 7.8444 7.8598 8.4305 8.4717 8.5012 8.5184 8.6237 8.7014 8.7101 8.7204 9.3009 9.3485 9.6069 9.6438 10.6771 10.7230 11.3863 11.3873 11.4588 11.5627 12.5327 12.5825 k = 0.2273-0.0000-0.0000 ( 3645 PWs) bands (ev): -4.7148 -4.7132 -3.3729 -3.3723 0.4393 0.4416 0.8368 0.8409 3.7964 3.7976 4.3533 4.4497 5.4187 5.4223 5.4736 5.4851 5.8579 6.0592 6.1029 6.1231 6.2530 6.3002 7.5209 7.5325 7.7373 7.7547 7.7860 7.8713 8.4235 8.4833 8.5038 8.5087 8.6301 8.6938 8.7113 8.7140 9.3068 9.3584 9.5807 9.6152 10.6908 10.7388 11.2827 11.2846 11.4231 11.5203 12.4630 12.5170 k = 0.2386-0.0000-0.0000 ( 3649 PWs) bands (ev): -4.6799 -4.6782 -3.3725 -3.3720 0.4591 0.4615 0.8627 0.8669 3.8454 3.8468 4.2946 4.3912 5.4085 5.4122 5.4616 5.4724 5.8492 6.0456 6.0677 6.0901 6.2220 6.2689 7.5058 7.5093 7.7100 7.7232 7.7727 7.9010 8.4142 8.4865 8.4979 8.5186 8.6364 8.6864 8.7067 8.7133 9.3113 9.3676 9.5536 9.5850 10.7026 10.7529 11.1812 11.1857 11.3957 11.4841 12.3923 12.4508 k = 0.2500-0.0000-0.0000 ( 3649 PWs) bands (ev): -4.6437 -4.6420 -3.3729 -3.3725 0.4796 0.4822 0.8884 0.8927 3.8962 3.8977 4.2359 4.3320 5.3944 5.3979 5.4500 5.4599 5.8464 6.0273 6.0323 6.0666 6.1896 6.2359 7.4736 7.4964 7.6686 7.6692 7.8024 7.9335 8.4031 8.4706 8.5108 8.5300 8.6425 8.6796 8.7004 8.7147 9.3142 9.3762 9.5260 9.5533 10.7116 10.7642 11.0870 11.0938 11.3736 11.4531 12.3212 12.3842 k = 0.2614-0.0000-0.0000 ( 3643 PWs) bands (ev): -4.6064 -4.6047 -3.3742 -3.3738 0.5006 0.5034 0.9137 0.9180 3.9487 3.9502 4.1782 4.2733 5.3759 5.3788 5.4383 5.4469 5.8492 5.9969 5.9975 6.0596 6.1563 6.2014 7.4358 7.4825 7.6157 7.6354 7.8326 7.9657 8.3910 8.4535 8.5241 8.5419 8.6486 8.6739 8.6945 8.7164 9.3154 9.3844 9.4984 9.5203 10.7154 10.7701 11.0033 11.0126 11.3562 11.4268 12.2499 12.3174 k = 0.2727-0.0000-0.0000 ( 3649 PWs) bands (ev): -4.5681 -4.5663 -3.3764 -3.3762 0.5222 0.5251 0.9383 0.9427 4.0024 4.0035 4.1232 4.2165 5.3528 5.3543 5.4264 5.4332 5.8570 5.9613 5.9621 6.0624 6.1233 6.1663 7.3933 7.4669 7.5664 7.6086 7.8612 7.9962 8.3783 8.4358 8.5362 8.5533 8.6545 8.6703 8.6898 8.7181 9.3141 9.3919 9.4715 9.4862 10.7096 10.7644 10.9353 10.9490 11.3434 11.4050 12.1788 12.2507 k = 0.2841-0.0000-0.0000 ( 3657 PWs) bands (ev): -4.5288 -4.5269 -3.3798 -3.3797 0.5442 0.5473 0.9620 0.9663 4.0471 4.0564 4.0819 4.1633 5.3241 5.3250 5.4144 5.4187 5.8686 5.9247 5.9258 6.0675 6.0948 6.1318 7.3479 7.4476 7.5234 7.5877 7.8871 8.0240 8.3655 8.4180 8.5460 8.5631 8.6604 8.6700 8.6868 8.7200 9.3094 9.3988 9.4465 9.4511 10.6879 10.7384 10.8902 10.9124 11.3350 11.3876 12.1085 12.1843 k = 0.2955-0.0000-0.0000 ( 3657 PWs) bands (ev): -4.4886 -4.4867 -3.3844 -3.3843 0.5667 0.5699 0.9844 0.9887 4.0139 4.0929 4.1223 4.1324 5.2881 5.2923 5.4023 5.4036 5.8764 5.8858 5.8959 6.0511 6.0942 6.0995 7.3013 7.4205 7.4911 7.5714 7.9095 8.0479 8.3534 8.4009 8.5520 8.5704 8.6662 8.6741 8.6864 8.7224 9.3003 9.4036 9.4167 9.4247 10.6495 10.6940 10.8693 10.9016 11.3309 11.3745 12.0391 12.1187 k = 0.3068-0.0000-0.0000 ( 3649 PWs) bands (ev): -4.4477 -4.4457 -3.3903 -3.3902 0.5896 0.5930 1.0053 1.0095 3.9692 4.0574 4.1787 4.1796 5.2463 5.2546 5.3886 5.3905 5.8453 5.8454 5.9043 6.0229 6.0716 6.1117 7.2545 7.3844 7.4707 7.5587 7.9271 8.0668 8.3428 8.3854 8.5537 8.5741 8.6724 8.6830 8.6890 8.7256 9.2858 9.3778 9.4075 9.4116 10.6029 10.6434 10.8650 10.9050 11.3308 11.3652 11.9712 12.0542 k = 0.3182-0.0000-0.0000 ( 3655 PWs) bands (ev): -4.4060 -4.4040 -3.3976 -3.3974 0.6128 0.6163 1.0245 1.0285 3.9285 4.0161 4.2368 4.2389 5.1990 5.2119 5.3740 5.3790 5.8031 5.8043 5.9183 5.9957 6.0514 6.1342 7.2081 7.3437 7.4578 7.5490 7.9391 8.0793 8.3344 8.3723 8.5515 8.5742 8.6787 8.6942 8.6961 8.7297 9.2659 9.3415 9.3947 9.4153 10.5568 10.5951 10.8692 10.9145 11.3344 11.3594 11.9049 11.9910 k = 0.3295-0.0000-0.0000 ( 3645 PWs) bands (ev): -4.3638 -4.3618 -3.4064 -3.4061 0.6364 0.6400 1.0415 1.0453 3.8929 3.9792 4.2966 4.2992 5.1468 5.1644 5.3605 5.3685 5.7592 5.7602 5.9254 5.9703 6.0442 6.1604 7.1627 7.3017 7.4491 7.5418 7.9445 8.0842 8.3292 8.3631 8.5464 8.5712 8.6852 8.7007 8.7125 8.7356 9.2423 9.3052 9.3850 9.4175 10.5164 10.5530 10.8777 10.9270 11.3411 11.3564 11.8406 11.9295 k = 0.3409-0.0000-0.0000 ( 3639 PWs) bands (ev): -4.3212 -4.3191 -3.4167 -3.4163 0.6601 0.6639 1.0563 1.0598 3.8632 3.9481 4.3572 4.3602 5.0901 5.1123 5.3484 5.3589 5.7137 5.7142 5.9213 5.9465 6.0531 6.1894 7.1182 7.2597 7.4432 7.5369 7.9431 8.0810 8.3273 8.3582 8.5395 8.5657 8.6918 8.7072 8.7311 8.7438 9.2168 9.2695 9.3767 9.4175 10.4841 10.5187 10.8886 10.9413 11.3505 11.3556 11.7785 11.8700 k = 0.3523-0.0000-0.0000 ( 3635 PWs) bands (ev): -4.2782 -4.2760 -3.4287 -3.4281 0.6841 0.6880 1.0685 1.0717 3.8397 3.9233 4.4184 4.4214 5.0296 5.0562 5.3382 5.3508 5.6656 5.6684 5.9083 5.9239 6.0746 6.2208 7.0748 7.2183 7.4394 7.5341 7.9348 8.0699 8.3288 8.3576 8.5315 8.5587 8.6986 8.7127 8.7511 8.7542 9.1906 9.2344 9.3685 9.4145 10.4614 10.4932 10.9010 10.9567 11.3558 11.3616 11.7188 11.8127 k = 0.3636-0.0000-0.0000 ( 3634 PWs) bands (ev): -4.2349 -4.2328 -3.4423 -3.4416 0.7082 0.7122 1.0780 1.0808 3.8229 3.9050 4.4797 4.4825 4.9662 4.9964 5.3301 5.3444 5.6167 5.6224 5.8907 5.9015 6.1034 6.2542 7.0323 7.1774 7.4376 7.5334 7.9202 8.0518 8.3333 8.3604 8.5229 8.5507 8.7055 8.7174 8.7659 8.7719 9.1652 9.2007 9.3594 9.4083 10.4490 10.4770 10.9145 10.9730 11.3556 11.3733 11.6617 11.7579 k = 0.3750-0.0000-0.0000 ( 3636 PWs) bands (ev): -4.1916 -4.1894 -3.4577 -3.4569 0.7324 0.7365 1.0847 1.0871 3.8130 3.8937 4.5408 4.5425 4.9010 4.9335 5.3245 5.3399 5.5679 5.5768 5.8704 5.8788 6.1361 6.2892 6.9906 7.1372 7.4379 7.5347 7.9004 8.0283 8.3402 8.3656 8.5141 8.5420 8.7126 8.7216 8.7781 8.7928 9.1415 9.1686 9.3488 9.3987 10.4474 10.4702 10.9290 10.9901 11.3532 11.3841 11.6072 11.7058 k = 0.3864-0.0000-0.0000 ( 3640 PWs) bands (ev): -4.1483 -4.1461 -3.4749 -3.4739 0.7566 0.7608 1.0885 1.0904 3.8101 3.8895 4.5998 4.6013 4.8361 4.8682 5.3216 5.3376 5.5198 5.5321 5.8481 5.8551 6.1714 6.3255 6.9497 7.0974 7.4400 7.5381 7.8764 8.0008 8.3486 8.3722 8.5053 8.5330 8.7200 8.7256 8.7898 8.8133 9.1202 9.1387 9.3364 9.3856 10.4564 10.4728 10.9443 11.0080 11.3465 11.3917 11.5556 11.6565 k = 0.3977-0.0000-0.0000 ( 3652 PWs) bands (ev): -4.1051 -4.1029 -3.4939 -3.4928 0.7808 0.7850 1.0895 1.0908 3.8143 3.8924 4.6468 4.6608 4.7790 4.8009 5.3214 5.3375 5.4733 5.4890 5.8238 5.8300 6.2082 6.3629 6.9094 7.0582 7.4441 7.5433 7.8493 7.9706 8.3580 8.3793 8.4967 8.5238 8.7278 8.7296 8.8001 8.8327 9.1023 9.1119 9.3221 9.3691 10.4754 10.4845 10.9605 11.0267 11.3331 11.3931 11.5070 11.6098 k = 0.4091-0.0000-0.0000 ( 3652 PWs) bands (ev): -4.0623 -4.0600 -3.5147 -3.5135 0.8049 0.8092 1.0875 1.0883 3.8255 3.9023 4.6480 4.7188 4.7323 4.7657 5.3234 5.3392 5.4297 5.4485 5.7974 5.8031 6.2462 6.4011 6.8697 7.0193 7.4504 7.5508 7.8199 7.9386 8.3679 8.3866 8.4884 8.5145 8.7339 8.7360 8.8085 8.8502 9.0886 9.0891 9.3060 9.3497 10.5039 10.5048 10.9776 11.0463 11.3113 11.3851 11.4612 11.5650 k = 0.4205-0.0000-0.0000 ( 3652 PWs) bands (ev): -4.0198 -4.0176 -3.5374 -3.5361 0.8289 0.8332 1.0828 1.0830 3.8435 3.9190 4.5943 4.6627 4.7752 4.8050 5.3244 5.3403 5.3925 5.4135 5.7688 5.7742 6.2848 6.4398 6.8304 6.9809 7.4588 7.5604 7.7890 7.9056 8.3780 8.3937 8.4805 8.5054 8.7385 8.7446 8.8140 8.8642 9.0719 9.0799 9.2882 9.3279 10.5331 10.5409 10.9955 11.0668 11.2802 11.3651 11.4176 11.5213 k = 0.4318-0.0000-0.0000 ( 3660 PWs) bands (ev): -3.9779 -3.9757 -3.5619 -3.5605 0.8526 0.8569 1.0751 1.0755 3.8681 3.9425 4.5277 4.5930 4.8292 4.8554 5.3124 5.3312 5.3744 5.3939 5.7379 5.7431 6.3240 6.4789 6.7915 6.9426 7.4694 7.5721 7.7575 7.8722 8.3880 8.4005 8.4730 8.4963 8.7436 8.7538 8.8164 8.8730 9.0619 9.0763 9.2690 9.3042 10.5685 10.5854 11.0144 11.0880 11.2403 11.3336 11.3739 11.4782 k = 0.4432-0.0000-0.0000 ( 3668 PWs) bands (ev): -3.9367 -3.9345 -3.5882 -3.5867 0.8761 0.8803 1.0649 1.0658 3.8990 3.9723 4.4587 4.5237 4.8804 4.9062 5.2817 5.3048 5.3810 5.3969 5.7049 5.7100 6.3633 6.5182 6.7528 6.9045 7.4823 7.5860 7.7258 7.8390 8.3977 8.4069 8.4659 8.4873 8.7491 8.7636 8.8157 8.8752 9.0607 9.0781 9.2488 9.2791 10.6104 10.6366 11.0342 11.1094 11.1936 11.2917 11.3299 11.4359 k = 0.4545-0.0000-0.0000 ( 3668 PWs) bands (ev): -3.8962 -3.8941 -3.6163 -3.6146 0.8991 0.9032 1.0524 1.0538 3.9358 4.0081 4.3899 4.4554 4.9287 4.9552 5.2452 5.2711 5.3993 5.4128 5.6700 5.6752 6.4028 6.5576 6.7142 6.8665 7.4974 7.6022 7.6945 7.8065 8.4073 8.4131 8.4593 8.4784 8.7552 8.7742 8.8122 8.8709 9.0681 9.0849 9.2279 9.2530 10.6579 10.6934 11.0549 11.1197 11.1531 11.2386 11.2892 11.3948 k = 0.4659-0.0000-0.0000 ( 3666 PWs) bands (ev): -3.8567 -3.8546 -3.6461 -3.6443 0.9216 0.9256 1.0379 1.0399 3.9781 4.0495 4.3224 4.3885 4.9742 5.0015 5.2079 5.2356 5.4240 5.4355 5.6336 5.6390 6.4423 6.5969 6.6757 6.8285 7.5149 7.6206 7.6640 7.7749 8.4166 8.4189 8.4530 8.4697 8.7618 8.7854 8.8067 8.8619 9.0824 9.0957 9.2068 9.2265 10.7103 10.7550 11.0734 11.0752 11.1660 11.1776 11.2529 11.3556 k = 0.4773-0.0000-0.0000 ( 3670 PWs) bands (ev): -3.8183 -3.8162 -3.6776 -3.6757 0.9435 0.9473 1.0217 1.0241 4.0256 4.0960 4.2568 4.3237 5.0168 5.0452 5.1708 5.1995 5.4534 5.4632 5.5963 5.6020 6.4816 6.6360 6.6372 6.7904 7.5347 7.6347 7.6413 7.7446 8.4246 8.4257 8.4470 8.4609 8.7688 8.7974 8.7997 8.8500 9.1014 9.1098 9.1856 9.1999 10.7666 10.8204 11.0131 11.0815 11.1269 11.1918 11.2196 11.3185 k = 0.4886-0.0000-0.0000 ( 3674 PWs) bands (ev): -3.7811 -3.7790 -3.7106 -3.7087 0.9647 0.9681 1.0039 1.0067 4.0777 4.1472 4.1938 4.2616 5.0572 5.0863 5.1336 5.1629 5.4863 5.4946 5.5587 5.5650 6.5208 6.5986 6.6750 6.7521 7.5567 7.6069 7.6641 7.7160 8.4301 8.4346 8.4412 8.4521 8.7764 8.7921 8.8102 8.8369 9.1236 9.1265 9.1649 9.1735 10.8261 10.8886 10.9505 11.0276 11.1355 11.1889 11.2203 11.2836 k = 0.5000-0.0000-0.0000 ( 3678 PWs) bands (ev): -3.7451 -3.7451 -3.7432 -3.7432 0.9848 0.9848 0.9880 0.9880 4.1339 4.1339 4.2025 4.2025 5.0959 5.0959 5.1254 5.1254 5.5217 5.5217 5.5289 5.5289 6.5598 6.5598 6.7136 6.7136 7.5808 7.5808 7.6891 7.6891 8.4356 8.4356 8.4434 8.4434 8.7842 8.7842 8.8234 8.8234 9.1450 9.1450 9.1479 9.1479 10.8878 10.8878 10.9584 10.9584 11.1605 11.1605 11.2508 11.2508 k = 0.5000-0.0000-0.0000 ( 3678 PWs) bands (ev): -3.7451 -3.7451 -3.7432 -3.7432 0.9848 0.9848 0.9880 0.9880 4.1339 4.1339 4.2025 4.2025 5.0959 5.0959 5.1254 5.1254 5.5217 5.5217 5.5289 5.5289 6.5598 6.5598 6.7136 6.7136 7.5808 7.5808 7.6891 7.6891 8.4356 8.4356 8.4434 8.4434 8.7842 8.7842 8.8234 8.8234 9.1450 9.1450 9.1479 9.1479 10.8878 10.8878 10.9584 10.9584 11.1605 11.1605 11.2508 11.2508 k = 0.5000 0.0112-0.0000 ( 3670 PWs) bands (ev): -3.7447 -3.7447 -3.7428 -3.7428 0.9838 0.9838 0.9870 0.9870 4.1344 4.1344 4.2031 4.2031 5.0879 5.0879 5.1177 5.1177 5.5302 5.5302 5.5371 5.5371 6.5596 6.5596 6.7141 6.7141 7.5802 7.5802 7.6888 7.6888 8.4342 8.4342 8.4439 8.4439 8.7840 8.7840 8.8231 8.8231 9.1427 9.1427 9.1477 9.1477 10.8855 10.8855 10.9564 10.9564 11.1580 11.1580 11.2475 11.2475 k = 0.5000 0.0224-0.0000 ( 3666 PWs) bands (ev): -3.7436 -3.7436 -3.7415 -3.7415 0.9808 0.9808 0.9839 0.9839 4.1357 4.1357 4.2046 4.2046 5.0658 5.0658 5.0967 5.0967 5.5536 5.5536 5.5595 5.5595 6.5591 6.5591 6.7156 6.7156 7.5784 7.5784 7.6879 7.6879 8.4307 8.4307 8.4445 8.4445 8.7832 8.7832 8.8224 8.8224 9.1372 9.1372 9.1457 9.1457 10.8789 10.8789 10.9505 10.9505 11.1511 11.1511 11.2378 11.2378 k = 0.5000 0.0337-0.0000 ( 3662 PWs) bands (ev): -3.7416 -3.7416 -3.7395 -3.7395 0.9757 0.9757 0.9787 0.9787 4.1378 4.1378 4.2071 4.2071 5.0345 5.0345 5.0664 5.0664 5.5868 5.5868 5.5918 5.5918 6.5587 6.5587 6.7182 6.7182 7.5754 7.5754 7.6863 7.6863 8.4258 8.4258 8.4444 8.4444 8.7820 8.7820 8.8213 8.8213 9.1292 9.1292 9.1415 9.1415 10.8681 10.8681 10.9409 10.9409 11.1408 11.1408 11.2233 11.2233 k = 0.5000 0.0449-0.0000 ( 3662 PWs) bands (ev): -3.7388 -3.7388 -3.7367 -3.7367 0.9686 0.9686 0.9715 0.9715 4.1407 4.1407 4.2104 4.2104 4.9985 4.9985 5.0312 5.0312 5.6241 5.6241 5.6300 5.6300 6.5587 6.5587 6.7221 6.7221 7.5711 7.5711 7.6839 7.6839 8.4200 8.4200 8.4436 8.4436 8.7803 8.7803 8.8196 8.8196 9.1193 9.1193 9.1350 9.1350 10.8535 10.8535 10.9277 10.9277 11.1284 11.1284 11.2059 11.2059 k = 0.5000 0.0561-0.0000 ( 3662 PWs) bands (ev): -3.7353 -3.7353 -3.7332 -3.7332 0.9595 0.9595 0.9623 0.9623 4.1443 4.1443 4.2146 4.2146 4.9612 4.9612 4.9942 4.9942 5.6618 5.6618 5.6705 5.6705 6.5598 6.5598 6.7277 6.7277 7.5655 7.5655 7.6807 7.6807 8.4133 8.4133 8.4418 8.4418 8.7780 8.7780 8.8175 8.8175 9.1077 9.1077 9.1267 9.1267 10.8357 10.8357 10.9112 10.9112 11.1158 11.1158 11.1877 11.1877 k = 0.5000 0.0673-0.0000 ( 3660 PWs) bands (ev): -3.7311 -3.7311 -3.7289 -3.7289 0.9485 0.9485 0.9512 0.9512 4.1483 4.1483 4.2193 4.2193 4.9249 4.9249 4.9576 4.9576 5.6973 5.6973 5.7095 5.7095 6.5629 6.5629 6.7351 6.7351 7.5586 7.5586 7.6764 7.6764 8.4060 8.4060 8.4392 8.4392 8.7755 8.7755 8.8150 8.8150 9.0949 9.0949 9.1167 9.1167 10.8152 10.8152 10.8918 10.8918 11.1042 11.1042 11.1707 11.1707 k = 0.5000 0.0785-0.0000 ( 3656 PWs) bands (ev): -3.7262 -3.7262 -3.7239 -3.7239 0.9357 0.9357 0.9382 0.9382 4.1527 4.1527 4.2244 4.2244 4.8911 4.8911 4.9231 4.9231 5.7290 5.7290 5.7444 5.7444 6.5688 6.5688 6.7447 6.7447 7.5501 7.5501 7.6707 7.6707 8.3983 8.3983 8.4358 8.4358 8.7725 8.7725 8.8121 8.8121 9.0814 9.0814 9.1056 9.1056 10.7927 10.7927 10.8699 10.8699 11.0948 11.0948 11.1566 11.1566 k = 0.5000 0.0897-0.0000 ( 3652 PWs) bands (ev): -3.7206 -3.7206 -3.7182 -3.7182 0.9211 0.9211 0.9234 0.9234 4.1572 4.1572 4.2298 4.2298 4.8611 4.8611 4.8918 4.8918 5.7552 5.7552 5.7733 5.7733 6.5781 6.5781 6.7567 6.7567 7.5400 7.5400 7.6635 7.6635 8.3905 8.3905 8.4320 8.4320 8.7693 8.7693 8.8088 8.8088 9.0676 9.0676 9.0937 9.0937 10.7688 10.7688 10.8460 10.8460 11.0886 11.0886 11.1469 11.1469 k = 0.5000 0.1010-0.0000 ( 3650 PWs) bands (ev): -3.7144 -3.7144 -3.7119 -3.7119 0.9048 0.9048 0.9070 0.9070 4.1618 4.1618 4.2353 4.2353 4.8356 4.8356 4.8645 4.8645 5.7749 5.7749 5.7947 5.7947 6.5912 6.5912 6.7711 6.7711 7.5280 7.5280 7.6544 7.6544 8.3830 8.3830 8.4279 8.4279 8.7658 8.7658 8.8052 8.8052 9.0540 9.0540 9.0815 9.0815 10.7442 10.7442 10.8208 10.8208 11.0861 11.0861 11.1425 11.1425 k = 0.5000 0.1122-0.0000 ( 3646 PWs) bands (ev): -3.7076 -3.7076 -3.7050 -3.7050 0.8869 0.8869 0.8891 0.8891 4.1663 4.1663 4.2406 4.2406 4.8152 4.8152 4.8418 4.8418 5.7873 5.7873 5.8079 5.8079 6.6083 6.6083 6.7878 6.7878 7.5138 7.5138 7.6430 7.6430 8.3761 8.3761 8.4240 8.4240 8.7623 8.7623 8.8015 8.8015 9.0409 9.0409 9.0692 9.0692 10.7194 10.7194 10.7949 10.7949 11.0879 11.0879 11.1443 11.1443 k = 0.5000 0.1234-0.0000 ( 3646 PWs) bands (ev): -3.7003 -3.7003 -3.6976 -3.6976 0.8674 0.8674 0.8698 0.8698 4.1707 4.1707 4.2456 4.2456 4.8003 4.8003 4.8242 4.8242 5.7918 5.7918 5.8129 5.8129 6.6288 6.6288 6.8063 6.8063 7.4972 7.4972 7.6291 7.6291 8.3704 8.3704 8.4207 8.4207 8.7587 8.7587 8.7976 8.7976 9.0285 9.0285 9.0572 9.0572 10.6951 10.6951 10.7690 10.7690 11.0945 11.0945 11.1528 11.1528 k = 0.5000 0.1346-0.0000 ( 3646 PWs) bands (ev): -3.6925 -3.6925 -3.6898 -3.6898 0.8467 0.8467 0.8492 0.8492 4.1749 4.1749 4.2504 4.2504 4.7911 4.7911 4.8118 4.8118 5.7884 5.7884 5.8104 5.8104 6.6516 6.6516 6.8261 6.8261 7.4781 7.4781 7.6123 7.6123 8.3662 8.3662 8.4184 8.4184 8.7553 8.7553 8.7937 8.7937 9.0171 9.0171 9.0458 9.0458 10.6716 10.6716 10.7435 10.7435 11.1064 11.1064 11.1681 11.1681 k = 0.5000 0.1458-0.0000 ( 3642 PWs) bands (ev): -3.6843 -3.6843 -3.6815 -3.6815 0.8248 0.8248 0.8276 0.8276 4.1791 4.1791 4.2549 4.2549 4.7876 4.7876 4.8049 4.8049 5.7772 5.7772 5.8011 5.8011 6.6755 6.6755 6.8465 6.8465 7.4562 7.4562 7.5927 7.5927 8.3640 8.3640 8.4177 8.4177 8.7521 8.7521 8.7899 8.7899 9.0067 9.0067 9.0352 9.0352 10.6495 10.6495 10.7190 10.7190 11.1241 11.1241 11.1905 11.1905 k = 0.5000 0.1571-0.0000 ( 3646 PWs) bands (ev): -3.6757 -3.6757 -3.6728 -3.6728 0.8019 0.8019 0.8051 0.8051 4.1834 4.1834 4.2592 4.2592 4.7895 4.7895 4.8032 4.8032 5.7591 5.7591 5.7859 5.7859 6.6989 6.6989 6.8665 6.8665 7.4315 7.4315 7.5700 7.5700 8.3640 8.3640 8.4189 8.4189 8.7492 8.7492 8.7862 8.7862 8.9973 8.9973 9.0254 9.0254 10.6289 10.6289 10.6956 10.6956 11.1480 11.1480 11.2200 11.2200 k = 0.5000 0.1683-0.0000 ( 3650 PWs) bands (ev): -3.6669 -3.6669 -3.6640 -3.6640 0.7782 0.7782 0.7818 0.7818 4.1880 4.1880 4.2636 4.2636 4.7965 4.7965 4.8065 4.8065 5.7349 5.7349 5.7656 5.7656 6.7205 6.7205 6.8856 6.8856 7.4045 7.4045 7.5445 7.5445 8.3666 8.3666 8.4222 8.4222 8.7466 8.7466 8.7829 8.7829 8.9890 8.9890 9.0165 9.0165 10.6099 10.6099 10.6737 10.6737 11.1785 11.1785 11.2567 11.2567 k = 0.5000 0.1795-0.0000 ( 3650 PWs) bands (ev): -3.6579 -3.6579 -3.6549 -3.6549 0.7540 0.7540 0.7581 0.7581 4.1932 4.1932 4.2683 4.2683 4.8081 4.8081 4.8146 4.8146 5.7058 5.7058 5.7409 5.7409 6.7387 6.7387 6.9027 6.9027 7.3755 7.3755 7.5165 7.5165 8.3715 8.3715 8.4277 8.4277 8.7443 8.7443 8.7799 8.7799 8.9818 8.9818 9.0085 9.0085 10.5928 10.5928 10.6533 10.6533 11.2158 11.2158 11.3006 11.3006 k = 0.5000 0.1907-0.0000 ( 3648 PWs) bands (ev): -3.6487 -3.6487 -3.6457 -3.6457 0.7294 0.7294 0.7341 0.7341 4.1994 4.1994 4.2736 4.2736 4.8232 4.8232 4.8275 4.8275 5.6728 5.6728 5.7125 5.7125 6.7525 6.7525 6.9171 6.9171 7.3454 7.3454 7.4868 7.4868 8.3787 8.3787 8.4353 8.4353 8.7424 8.7424 8.7773 8.7773 8.9754 8.9754 9.0015 9.0015 10.5774 10.5774 10.6346 10.6346 11.2601 11.2601 11.3519 11.3519 k = 0.5000 0.2019-0.0000 ( 3650 PWs) bands (ev): -3.6395 -3.6395 -3.6364 -3.6364 0.7047 0.7047 0.7099 0.7099 4.2066 4.2066 4.2797 4.2797 4.8402 4.8402 4.8456 4.8456 5.6369 5.6369 5.6810 5.6810 6.7606 6.7606 6.9279 6.9279 7.3154 7.3154 7.4562 7.4562 8.3878 8.3878 8.4447 8.4447 8.7409 8.7409 8.7752 8.7752 8.9699 8.9699 8.9953 8.9953 10.5639 10.5639 10.6175 10.6175 11.3114 11.3114 11.4104 11.4104 k = 0.5000 0.2131-0.0000 ( 3642 PWs) bands (ev): -3.6303 -3.6303 -3.6272 -3.6272 0.6802 0.6802 0.6860 0.6860 4.2152 4.2152 4.2868 4.2868 4.8590 4.8590 4.8680 4.8680 5.5991 5.5991 5.6471 5.6471 6.7622 6.7622 6.9341 6.9341 7.2869 7.2869 7.4256 7.4256 8.3985 8.3985 8.4556 8.4556 8.7397 8.7397 8.7736 8.7736 8.9651 8.9651 8.9900 8.9900 10.5520 10.5520 10.6021 10.6021 11.3697 11.3697 11.4759 11.4759 k = 0.5000 0.2244-0.0000 ( 3650 PWs) bands (ev): -3.6213 -3.6213 -3.6182 -3.6182 0.6561 0.6561 0.6624 0.6624 4.2253 4.2253 4.2951 4.2951 4.8796 4.8796 4.8931 4.8931 5.5601 5.5601 5.6115 5.6115 6.7567 6.7567 6.9347 6.9347 7.2613 7.2613 7.3961 7.3961 8.4100 8.4100 8.4675 8.4675 8.7388 8.7388 8.7724 8.7724 8.9611 8.9611 8.9853 8.9853 10.5417 10.5417 10.5881 10.5881 11.4347 11.4347 11.5482 11.5482 k = 0.5000 0.2356-0.0000 ( 3654 PWs) bands (ev): -3.6125 -3.6125 -3.6093 -3.6093 0.6326 0.6326 0.6394 0.6394 4.2369 4.2369 4.3046 4.3046 4.9017 4.9017 4.9202 4.9202 5.5208 5.5208 5.5749 5.5749 6.7440 6.7440 6.9289 6.9289 7.2402 7.2402 7.3687 7.3687 8.4222 8.4222 8.4799 8.4799 8.7381 8.7381 8.7716 8.7716 8.9576 8.9576 8.9812 8.9812 10.5329 10.5329 10.5757 10.5757 11.5062 11.5062 11.6270 11.6270 k = 0.5000 0.2468-0.0000 ( 3658 PWs) bands (ev): -3.6039 -3.6039 -3.6008 -3.6008 0.6100 0.6100 0.6173 0.6173 4.2500 4.2500 4.3153 4.3153 4.9244 4.9244 4.9486 4.9486 5.4822 5.4822 5.5381 5.5381 6.7245 6.7245 6.9163 6.9163 7.2242 7.2242 7.3441 7.3441 8.4344 8.4344 8.4925 8.4925 8.7377 8.7377 8.7712 8.7712 8.9546 8.9546 8.9777 8.9777 10.5253 10.5253 10.5645 10.5645 11.5837 11.5837 11.7116 11.7116 k = 0.5000 0.2580-0.0000 ( 3656 PWs) bands (ev): -3.5958 -3.5958 -3.5927 -3.5927 0.5885 0.5885 0.5963 0.5963 4.2645 4.2645 4.3271 4.3271 4.9468 4.9468 4.9773 4.9773 5.4451 5.4451 5.5018 5.5018 6.6989 6.6989 6.8974 6.8974 7.2134 7.2134 7.3229 7.3229 8.4463 8.4463 8.5048 8.5048 8.7376 8.7376 8.7712 8.7712 8.9522 8.9522 8.9747 8.9747 10.5190 10.5190 10.5546 10.5546 11.6664 11.6664 11.8014 11.8014 k = 0.5000 0.2692-0.0000 ( 3646 PWs) bands (ev): -3.5881 -3.5881 -3.5850 -3.5850 0.5683 0.5683 0.5765 0.5765 4.2803 4.2803 4.3397 4.3397 4.9679 4.9679 5.0056 5.0056 5.4107 5.4107 5.4668 5.4668 6.6685 6.6685 6.8734 6.8734 7.2071 7.2071 7.3052 7.3052 8.4577 8.4577 8.5165 8.5165 8.7377 8.7377 8.7715 8.7715 8.9502 8.9502 8.9722 8.9722 10.5138 10.5138 10.5459 10.5459 11.7536 11.7536 11.8954 11.8954 k = 0.5000 0.2805-0.0000 ( 3642 PWs) bands (ev): -3.5810 -3.5810 -3.5780 -3.5780 0.5496 0.5496 0.5582 0.5582 4.2972 4.2972 4.3528 4.3528 4.9865 4.9865 5.0325 5.0325 5.3803 5.3803 5.4342 5.4342 6.6349 6.6349 6.8459 6.8459 7.2041 7.2041 7.2907 7.2907 8.4683 8.4683 8.5273 8.5273 8.7380 8.7380 8.7720 8.7720 8.9486 8.9486 8.9700 8.9700 10.5095 10.5095 10.5383 10.5383 11.8440 11.8440 11.9925 11.9925 k = 0.5000 0.2917-0.0000 ( 3626 PWs) bands (ev): -3.5745 -3.5745 -3.5715 -3.5715 0.5326 0.5326 0.5416 0.5416 4.3147 4.3147 4.3661 4.3661 5.0013 5.0013 5.0567 5.0567 5.3550 5.3550 5.4050 5.4050 6.5997 6.5997 6.8168 6.8168 7.2035 7.2035 7.2791 7.2791 8.4778 8.4778 8.5371 8.5371 8.7386 8.7386 8.7727 8.7727 8.9472 8.9472 8.9682 8.9682 10.5062 10.5062 10.5317 10.5317 11.9364 11.9364 12.0912 12.0912 k = 0.5000 0.3029-0.0000 ( 3628 PWs) bands (ev): -3.5687 -3.5687 -3.5657 -3.5657 0.5175 0.5175 0.5268 0.5268 4.3324 4.3324 4.3790 4.3790 5.0113 5.0113 5.0770 5.0770 5.3360 5.3360 5.3805 5.3805 6.5647 6.5647 6.7877 6.7877 7.2042 7.2042 7.2698 7.2698 8.4862 8.4862 8.5456 8.5456 8.7391 8.7391 8.7734 8.7734 8.9461 8.9461 8.9666 8.9666 10.5035 10.5035 10.5259 10.5259 12.0288 12.0288 12.1896 12.1896 k = 0.5000 0.3141-0.0000 ( 3644 PWs) bands (ev): -3.5637 -3.5637 -3.5608 -3.5608 0.5044 0.5044 0.5140 0.5140 4.3499 4.3499 4.3910 4.3910 5.0159 5.0159 5.0923 5.0923 5.3233 5.3233 5.3620 5.3620 6.5315 6.5315 6.7602 6.7602 7.2058 7.2058 7.2624 7.2624 8.4932 8.4932 8.5527 8.5527 8.7395 8.7395 8.7740 8.7740 8.9452 8.9452 8.9653 8.9653 10.5015 10.5015 10.5209 10.5209 12.1189 12.1189 12.2851 12.2851 k = 0.5000 0.3253-0.0000 ( 3648 PWs) bands (ev): -3.5596 -3.5596 -3.5566 -3.5566 0.4936 0.4936 0.5034 0.5034 4.3663 4.3663 4.4014 4.4014 5.0157 5.0157 5.1023 5.1023 5.3159 5.3159 5.3503 5.3503 6.5017 6.5017 6.7357 6.7357 7.2077 7.2077 7.2567 7.2567 8.4991 8.4991 8.5586 8.5586 8.7401 8.7401 8.7746 8.7746 8.9445 8.9445 8.9642 8.9642 10.5001 10.5001 10.5168 10.5168 12.2037 12.2037 12.3744 12.3744 k = 0.5000 0.3365-0.0000 ( 3656 PWs) bands (ev): -3.5563 -3.5563 -3.5533 -3.5533 0.4850 0.4850 0.4950 0.4950 4.3811 4.3811 4.4095 4.4095 5.0124 5.0124 5.1075 5.1075 5.3120 5.3120 5.3451 5.3451 6.4767 6.4767 6.7153 6.7153 7.2096 7.2096 7.2523 7.2523 8.5036 8.5036 8.5631 8.5631 8.7405 8.7405 8.7751 8.7751 8.9440 8.9440 8.9635 8.9635 10.4992 10.4992 10.5135 10.5135 12.2792 12.2792 12.4531 12.4531 k = 0.5000 0.3478-0.0000 ( 3652 PWs) bands (ev): -3.5539 -3.5539 -3.5510 -3.5510 0.4788 0.4788 0.4889 0.4889 4.3934 4.3934 4.4149 4.4149 5.0081 5.0081 5.1092 5.1092 5.3101 5.3101 5.3444 5.3444 6.4578 6.4578 6.7000 6.7000 7.2113 7.2113 7.2493 7.2493 8.5068 8.5068 8.5664 8.5664 8.7409 8.7409 8.7756 8.7756 8.9437 8.9437 8.9629 8.9629 10.4988 10.4988 10.5110 10.5110 12.3400 12.3400 12.5157 12.5157 k = 0.5000 0.3590-0.0000 ( 3656 PWs) bands (ev): -3.5524 -3.5524 -3.5495 -3.5495 0.4750 0.4750 0.4853 0.4853 4.4020 4.4020 4.4174 4.4174 5.0046 5.0046 5.1093 5.1093 5.3094 5.3094 5.3452 5.3452 6.4460 6.4460 6.6905 6.6905 7.2124 7.2124 7.2473 7.2473 8.5088 8.5088 8.5683 8.5683 8.7412 8.7412 8.7758 8.7758 8.9435 8.9435 8.9626 8.9626 10.4985 10.4985 10.5095 10.5095 12.3802 12.3802 12.5564 12.5564 k = 0.5000 0.3702-0.0000 ( 3656 PWs) bands (ev): -3.5519 -3.5519 -3.5490 -3.5490 0.4738 0.4738 0.4841 0.4841 4.4053 4.4053 4.4179 4.4179 5.0033 5.0033 5.1092 5.1092 5.3093 5.3093 5.3457 5.3457 6.4420 6.4420 6.6873 6.6873 7.2128 7.2128 7.2467 7.2467 8.5094 8.5094 8.5690 8.5690 8.7412 8.7412 8.7759 8.7759 8.9434 8.9434 8.9625 8.9625 10.4985 10.4985 10.5089 10.5089 12.3943 12.3943 12.5705 12.5705 k = 0.5000 0.3702-0.0000 ( 3656 PWs) bands (ev): -3.5519 -3.5519 -3.5490 -3.5490 0.4738 0.4738 0.4841 0.4841 4.4053 4.4053 4.4179 4.4179 5.0033 5.0033 5.1092 5.1092 5.3093 5.3093 5.3457 5.3457 6.4420 6.4420 6.6873 6.6873 7.2128 7.2128 7.2467 7.2467 8.5094 8.5094 8.5690 8.5690 8.7412 8.7412 8.7759 8.7759 8.9434 8.9434 8.9625 8.9625 10.4985 10.4985 10.5089 10.5089 12.3943 12.3943 12.5705 12.5705 k = 0.4886 0.3702-0.0000 ( 3652 PWs) bands (ev): -3.5743 -3.5715 -3.5307 -3.5277 0.4002 0.4101 0.5460 0.5566 4.3845 4.3976 4.4284 4.4408 4.9384 5.0547 5.0671 5.1478 5.2909 5.3024 5.3439 5.3916 6.3800 6.5079 6.6206 6.7569 7.2031 7.2261 7.2389 7.2583 8.5067 8.5124 8.5657 8.5724 8.7344 8.7480 8.7701 8.7812 8.9398 8.9490 8.9592 8.9683 10.4919 10.5020 10.5051 10.5159 12.3908 12.3987 12.5694 12.5727 k = 0.4773 0.3702-0.0000 ( 3648 PWs) bands (ev): -3.5978 -3.5951 -3.5107 -3.5076 0.3256 0.3351 0.6165 0.6274 4.3659 4.3794 4.4542 4.4664 4.8739 4.9955 5.1244 5.1506 5.2672 5.3087 5.3834 5.4383 6.3225 6.5574 6.5769 6.8287 7.1969 7.2350 7.2429 7.2736 8.5041 8.5155 8.5625 8.5758 8.7274 8.7547 8.7637 8.7861 8.9381 8.9565 8.9582 8.9767 10.4854 10.4950 10.5119 10.5231 12.3882 12.4040 12.5695 12.5759 k = 0.4659 0.3702-0.0000 ( 3644 PWs) bands (ev): -3.6223 -3.6197 -3.4919 -3.4888 0.2501 0.2593 0.6849 0.6960 4.3488 4.3629 4.4828 4.4948 4.8105 4.9350 5.1254 5.1521 5.2639 5.3549 5.4247 5.4847 6.2705 6.4983 6.6482 6.9020 7.1941 7.2348 7.2634 7.2928 8.5016 8.5187 8.5593 8.5792 8.7202 8.7567 8.7614 8.7906 8.9386 8.9594 8.9660 8.9880 10.4787 10.4878 10.5188 10.5303 12.3866 12.4100 12.5710 12.5800 k = 0.4545 0.3702-0.0000 ( 3652 PWs) bands (ev): -3.6477 -3.6452 -3.4745 -3.4712 0.1742 0.1830 0.7509 0.7623 4.3329 4.3476 4.5142 4.5261 4.7485 4.8743 5.0917 5.1337 5.3092 5.4091 5.4677 5.5306 6.2245 6.4437 6.7209 6.9762 7.1945 7.2384 7.2875 7.3156 8.4993 8.5221 8.5561 8.5826 8.7126 8.7491 8.7681 8.7948 8.9411 8.9624 8.9775 9.0023 10.4719 10.4805 10.5260 10.5377 12.3859 12.4168 12.5738 12.5848 k = 0.4432 0.3702-0.0000 ( 3660 PWs) bands (ev): -3.6740 -3.6716 -3.4583 -3.4550 0.0981 0.1065 0.8141 0.8257 4.3173 4.3328 4.5485 4.5603 4.6882 4.8141 5.0573 5.1009 5.3724 5.4609 5.5149 5.5754 6.1854 6.3944 6.7941 7.0504 7.1982 7.2460 7.3153 7.3421 8.4973 8.5257 8.5530 8.5861 8.7048 8.7410 8.7749 8.7990 8.9458 8.9673 8.9911 9.0199 10.4649 10.4730 10.5336 10.5455 12.3861 12.4241 12.5781 12.5903 k = 0.4318 0.3702-0.0000 ( 3658 PWs) bands (ev): -3.7011 -3.6988 -3.4435 -3.4401 0.0220 0.0301 0.8743 0.8860 4.3012 4.3178 4.5842 4.5970 4.6313 4.7551 5.0252 5.0678 5.4399 5.5049 5.5691 5.6191 6.1537 6.3508 6.8667 7.1231 7.2057 7.2579 7.3467 7.3722 8.4955 8.5295 8.5501 8.5897 8.6966 8.7324 8.7817 8.8032 8.9529 8.9739 9.0071 9.0410 10.4578 10.4653 10.5417 10.5539 12.3869 12.4319 12.5836 12.5965 k = 0.4205 0.3702-0.0000 ( 3664 PWs) bands (ev): -3.7289 -3.7267 -3.4301 -3.4266 -0.0538 -0.0461 0.9310 0.9428 4.2839 4.3016 4.5693 4.6295 4.6336 4.6996 4.9972 5.0380 5.5087 5.5414 5.6288 5.6615 6.1297 6.3133 6.9373 7.1879 7.2225 7.2745 7.3817 7.4057 8.4941 8.5335 8.5474 8.5933 8.6879 8.7233 8.7888 8.8074 8.9622 8.9822 9.0257 9.0659 10.4503 10.4573 10.5505 10.5628 12.3881 12.4399 12.5897 12.6035 k = 0.4091 0.3702-0.0000 ( 3660 PWs) bands (ev): -3.7573 -3.7553 -3.4180 -3.4144 -0.1291 -0.1218 0.9841 0.9958 4.2643 4.2834 4.5154 4.6277 4.6715 4.6902 4.9747 5.0135 5.5735 5.5779 5.6910 5.7026 6.1134 6.2823 7.0043 7.2171 7.2752 7.2967 7.4202 7.4425 8.4930 8.5379 8.5449 8.5971 8.6789 8.7138 8.7961 8.8120 8.9739 8.9920 9.0474 9.0950 10.4426 10.4490 10.5602 10.5725 12.3891 12.4476 12.5951 12.6115 k = 0.3977 0.3702-0.0000 ( 3660 PWs) bands (ev): -3.7862 -3.7843 -3.4072 -3.4036 -0.2038 -0.1967 1.0331 1.0448 4.2416 4.2624 4.4623 4.5741 4.7171 4.7319 4.9588 4.9953 5.6033 5.6469 5.7428 5.7540 6.1047 6.2580 7.0657 7.2328 7.3255 7.3407 7.4622 7.4821 8.4922 8.5426 8.5426 8.6008 8.6694 8.7039 8.8036 8.8170 8.9876 9.0033 9.0724 9.1284 10.4345 10.4403 10.5710 10.5831 12.3885 12.4540 12.5958 12.6186 k = 0.3864 0.3702-0.0000 ( 3648 PWs) bands (ev): -3.8156 -3.8137 -3.3978 -3.3941 -0.2775 -0.2709 1.0780 1.0895 4.2154 4.2380 4.4108 4.5177 4.7654 4.7794 4.9501 4.9843 5.6323 5.7154 5.7822 5.8170 6.1029 6.2405 7.1198 7.2488 7.3618 7.4043 7.5074 7.5243 8.4919 8.5406 8.5477 8.6046 8.6599 8.6938 8.8117 8.8224 9.0035 9.0161 9.1011 9.1665 10.4262 10.4313 10.5831 10.5950 12.3837 12.4575 12.5710 12.6212 k = 0.3750 0.3702-0.0000 ( 3648 PWs) bands (ev): -3.8453 -3.8435 -3.3897 -3.3860 -0.3503 -0.3440 1.1186 1.1299 4.1854 4.2100 4.3607 4.4614 4.8160 4.8297 4.9489 4.9810 5.6620 5.7832 5.8213 5.8793 6.1071 6.2298 7.1657 7.2659 7.4058 7.4642 7.5553 7.5685 8.4918 8.5390 8.5532 8.6080 8.6502 8.6835 8.8200 8.8282 9.0213 9.0304 9.1338 9.2093 10.4173 10.4219 10.5968 10.6082 12.3690 12.4567 12.5066 12.6237 k = 0.3636 0.3702-0.0000 ( 3644 PWs) bands (ev): -3.8752 -3.8735 -3.3828 -3.3792 -0.4219 -0.4158 1.1547 1.1657 4.1518 4.1785 4.3119 4.4055 4.8685 4.8821 4.9554 4.9854 5.6941 5.8501 5.8607 5.9408 6.1165 6.2258 7.2041 7.2841 7.4560 7.5204 7.6051 7.6144 8.4920 8.5377 8.5591 8.6104 8.6414 8.6730 8.8290 8.8346 9.0411 9.0461 9.1707 9.2569 10.4081 10.4121 10.6126 10.6232 12.3373 12.4301 12.4535 12.6258 k = 0.3523 0.3702-0.0000 ( 3640 PWs) bands (ev): -3.9052 -3.9037 -3.3772 -3.3735 -0.4922 -0.4864 1.1863 1.1969 4.1150 4.1436 4.2639 4.3502 4.9226 4.9359 4.9694 4.9976 5.7296 5.9007 5.9161 6.0010 6.1304 6.2282 7.2364 7.3032 7.5100 7.5728 7.6560 7.6613 8.4925 8.5368 8.5656 8.6099 8.6355 8.6626 8.8383 8.8415 9.0628 9.0633 9.2119 9.3090 10.3985 10.4020 10.6310 10.6404 12.2883 12.3522 12.4517 12.6270 k = 0.3409 0.3702-0.0000 ( 3650 PWs) bands (ev): -3.9353 -3.9339 -3.3728 -3.3691 -0.5610 -0.5555 1.2134 1.2237 4.0757 4.1059 4.2166 4.2955 4.9770 4.9855 4.9959 5.0178 5.7695 5.9417 5.9809 6.0593 6.1486 6.2369 7.2645 7.3228 7.5658 7.6218 7.7071 7.7085 8.4929 8.5361 8.5725 8.6042 8.6346 8.6523 8.8481 8.8489 9.0819 9.0863 9.2573 9.3651 10.3885 10.3914 10.6526 10.6601 12.2287 12.2753 12.4518 12.6345 k = 0.3295 0.3702-0.0000 ( 3646 PWs) bands (ev): -3.9654 -3.9640 -3.3695 -3.3659 -0.6283 -0.6231 1.2361 1.2459 4.0345 4.0660 4.1697 4.2414 5.0146 5.0266 5.0501 5.0505 5.8143 5.9836 6.0447 6.1138 6.1725 6.2522 7.2897 7.3427 7.6213 7.6674 7.7557 7.7578 8.4933 8.5359 8.5802 8.5949 8.6377 8.6424 8.8569 8.8584 9.1022 9.1118 9.3068 9.4246 10.3782 10.3806 10.6782 10.6831 12.1646 12.2005 12.4528 12.6370 k = 0.3182 0.3702-0.0000 ( 3650 PWs) bands (ev): -3.9953 -3.9940 -3.3673 -3.3637 -0.6939 -0.6890 1.2546 1.2639 3.9920 4.0243 4.1232 4.1881 5.0466 5.0644 5.1016 5.1077 5.8640 6.0257 6.1072 6.1594 6.2070 6.2747 7.3126 7.3624 7.6752 7.7094 7.8025 7.8082 8.4933 8.5356 8.5845 8.5884 8.6332 8.6424 8.8654 8.8692 9.1241 9.1392 9.3596 9.4862 10.3676 10.3695 10.7087 10.7099 12.0994 12.1282 12.4539 12.6386 k = 0.3068 0.3702-0.0000 ( 3646 PWs) bands (ev): -4.0250 -4.0238 -3.3662 -3.3625 -0.7577 -0.7531 1.2690 1.2779 3.9489 3.9816 4.0771 4.1356 5.0832 5.1012 5.1595 5.1663 5.9179 6.0666 6.1687 6.1940 6.2544 6.3054 7.3339 7.3818 7.7267 7.7477 7.8486 7.8581 8.4927 8.5349 8.5742 8.5973 8.6249 8.6482 8.8745 8.8803 9.1477 9.1686 9.4149 9.5487 10.3568 10.3583 10.7414 10.7453 12.0351 12.0588 12.4545 12.6391 k = 0.2955 0.3702-0.0000 ( 3654 PWs) bands (ev): -4.0544 -4.0533 -3.3659 -3.3624 -0.8198 -0.8153 1.2796 1.2880 3.9055 3.9381 4.0314 4.0841 5.1237 5.1411 5.2192 5.2255 5.9748 6.1046 6.2256 6.2289 6.3078 6.3458 7.3537 7.4005 7.7748 7.7824 7.8938 7.9073 8.4912 8.5327 8.5655 8.6068 8.6179 8.6544 8.8841 8.8918 9.1732 9.2001 9.4716 9.6104 10.3460 10.3470 10.7784 10.7889 11.9726 11.9925 12.4542 12.6383 k = 0.2841 0.3702-0.0000 ( 3650 PWs) bands (ev): -4.0833 -4.0823 -3.3666 -3.3630 -0.8799 -0.8757 1.2867 1.2945 3.8622 3.8944 3.9862 4.0336 5.1676 5.1843 5.2798 5.2852 6.0320 6.1385 6.2605 6.2881 6.3629 6.3966 7.3724 7.4185 7.8138 7.8191 7.9382 7.9555 8.4887 8.5277 8.5600 8.6117 8.6176 8.6613 8.8942 8.9037 9.2005 9.2336 9.5284 9.6696 10.3353 10.3359 10.8220 10.8410 11.9125 11.9296 12.4527 12.6362 k = 0.2727 0.3702-0.0000 ( 3648 PWs) bands (ev): -4.1118 -4.1109 -3.3680 -3.3645 -0.9380 -0.9340 1.2906 1.2979 3.8193 3.8508 3.9417 3.9842 5.2144 5.2303 5.3409 5.3453 6.0861 6.1679 6.3025 6.3460 6.4186 6.4575 7.3900 7.4354 7.8422 7.8592 7.9817 8.0021 8.4852 8.5196 8.5583 8.6079 8.6285 8.6686 8.9049 8.9159 9.2298 9.2692 9.5839 9.7247 10.3250 10.3252 10.8731 10.9026 11.8554 11.8704 12.4499 12.6326 k = 0.2614 0.3702-0.0000 ( 3652 PWs) bands (ev): -4.1398 -4.1389 -3.3701 -3.3667 -0.9941 -0.9903 1.2916 1.2983 3.7769 3.8076 3.8980 3.9360 5.2636 5.2787 5.4023 5.4058 6.1333 6.1933 6.3543 6.4026 6.4750 6.5275 7.4068 7.4513 7.8683 7.8952 8.0237 8.0464 8.4808 8.5097 8.5590 8.6053 8.6403 8.6762 8.9160 8.9283 9.2612 9.3070 9.6364 9.7741 10.3151 10.3154 10.9324 10.9743 11.8015 11.8150 12.4456 12.6274 k = 0.2500 0.3702-0.0000 ( 3656 PWs) bands (ev): -4.1671 -4.1662 -3.3729 -3.3696 -1.0480 -1.0445 1.2900 1.2962 3.7354 3.7651 3.8553 3.8892 5.3145 5.3288 5.4640 5.4664 6.1720 6.2155 6.4158 6.4578 6.5329 6.6049 7.4228 7.4662 7.8925 7.9275 8.0636 8.0876 8.4759 8.4995 8.5609 8.6042 8.6528 8.6842 8.9275 8.9409 9.2949 9.3471 9.6848 9.8169 10.3061 10.3070 11.0005 11.0567 11.7509 11.7637 12.4396 12.6204 k = 0.2386 0.3702-0.0000 ( 3672 PWs) bands (ev): -4.1936 -4.1929 -3.3763 -3.3731 -1.0998 -1.0965 1.2862 1.2919 3.6948 3.7234 3.8137 3.8439 5.3668 5.3804 5.5257 5.5272 6.2032 6.2353 6.4832 6.5115 6.5944 6.6881 7.4383 7.4801 7.9153 7.9565 8.1007 8.1249 8.4711 8.4897 8.5635 8.6043 8.6660 8.6925 8.9394 8.9537 9.3308 9.3892 9.7278 9.8525 10.2985 10.3000 11.0774 11.1493 11.7041 11.7170 12.4317 12.6114 k = 0.2273 0.3702-0.0000 ( 3668 PWs) bands (ev): -4.2194 -4.2187 -3.3801 -3.3770 -1.1495 -1.1463 1.2804 1.2857 3.6555 3.6829 3.7732 3.8001 5.4199 5.4329 5.5874 5.5880 6.2287 6.2531 6.5501 6.5635 6.6626 6.7757 7.4536 7.4934 7.9371 7.9830 8.1340 8.1573 8.4672 8.4813 8.5666 8.6053 8.6799 8.7012 8.9518 8.9667 9.3693 9.4336 9.7649 9.8809 10.2928 10.2952 11.1622 11.2512 11.6614 11.6757 12.4218 12.6003 k = 0.2159 0.3702-0.0000 ( 3660 PWs) bands (ev): -4.2444 -4.2437 -3.3843 -3.3813 -1.1968 -1.1938 1.2731 1.2780 3.6173 3.6435 3.7342 3.7580 5.4735 5.4858 5.6487 5.6488 6.2504 6.2694 6.6111 6.6134 6.7402 6.8664 7.4690 7.5061 7.9584 8.0075 8.1627 8.1840 8.4649 8.4746 8.5699 8.6070 8.6943 8.7101 8.9648 8.9800 9.4105 9.4803 9.7956 9.9023 10.2896 10.2932 11.2523 11.3597 11.6244 11.6418 12.4098 12.5870 k = 0.2045 0.3702-0.0000 ( 3656 PWs) bands (ev): -4.2684 -4.2678 -3.3888 -3.3860 -1.2419 -1.2391 1.2645 1.2689 3.5806 3.6055 3.6966 3.7176 5.5271 5.5387 5.7090 5.7099 6.2693 6.2843 6.6610 6.6647 6.8264 6.9590 7.4846 7.5187 7.9795 8.0306 8.1857 8.2042 8.4646 8.4702 8.5732 8.6092 8.7092 8.7194 8.9781 8.9935 9.4541 9.5289 9.8199 9.9171 10.2895 10.2946 11.3410 11.4644 11.6020 11.6214 12.3955 12.5712 k = 0.1932 0.3702-0.0000 ( 3656 PWs) bands (ev): -4.2915 -4.2910 -3.3936 -3.3909 -1.2847 -1.2821 1.2549 1.2589 3.5454 3.5690 3.6605 3.6791 5.5803 5.5913 5.7688 5.7705 6.2862 6.2981 6.7058 6.7118 6.9180 7.0523 7.5006 7.5312 8.0008 8.0527 8.2025 8.2175 8.4665 8.4683 8.5765 8.6115 8.7245 8.7289 8.9921 9.0074 9.5004 9.5796 9.8380 9.9260 10.2931 10.3001 11.4097 11.5094 11.6318 11.6486 12.3790 12.5527 k = 0.1818 0.3702-0.0000 ( 3646 PWs) bands (ev): -4.3136 -4.3131 -3.3986 -3.3959 -1.3252 -1.3227 1.2445 1.2482 3.5118 3.5340 3.6261 3.6424 5.6328 5.6430 5.8279 5.8302 6.3014 6.3107 6.7475 6.7536 7.0124 7.1453 7.5172 7.5441 8.0225 8.0744 8.2133 8.2244 8.4687 8.4702 8.5796 8.6140 8.7388 8.7400 9.0068 9.0218 9.5493 9.6321 9.8503 9.9295 10.3013 10.3106 11.4345 11.4922 11.6953 11.7646 12.3602 12.5315 k = 0.1705 0.3702-0.0000 ( 3646 PWs) bands (ev): -4.3345 -4.3341 -3.4036 -3.4011 -1.3632 -1.3609 1.2337 1.2371 3.4799 3.5008 3.5934 3.6077 5.6841 5.6937 5.8859 5.8890 6.3153 6.3224 6.7856 6.7907 7.1076 7.2369 7.5344 7.5576 8.0448 8.0959 8.2185 8.2259 8.4706 8.4746 8.5825 8.6164 8.7490 8.7556 9.0221 9.0368 9.6007 9.6863 9.8570 9.9281 10.3145 10.3267 11.4276 11.4657 11.7981 11.8946 12.3396 12.5072 k = 0.1591 0.3702-0.0000 ( 3658 PWs) bands (ev): -4.3544 -4.3540 -3.4087 -3.4063 -1.3989 -1.3968 1.2226 1.2257 3.4498 3.4693 3.5625 3.5750 5.7339 5.7428 5.9426 5.9465 6.3280 6.3330 6.8199 6.8233 7.2020 7.3261 7.5523 7.5717 8.0679 8.1172 8.2195 8.2230 8.4728 8.4786 8.5851 8.6187 8.7595 8.7709 9.0385 9.0525 9.6544 9.7415 9.8588 9.9222 10.3334 10.3491 11.4096 11.4386 11.9179 12.0258 12.3192 12.4798 k = 0.1477 0.3702-0.0000 ( 3654 PWs) bands (ev): -4.3730 -4.3727 -3.4137 -3.4115 -1.4322 -1.4303 1.2115 1.2142 3.4215 3.4396 3.5335 3.5444 5.7820 5.7903 5.9978 6.0024 6.3398 6.3428 6.8500 6.8515 7.2946 7.4119 7.5706 7.5869 8.0916 8.1374 8.2175 8.2187 8.4743 8.4810 8.5874 8.6206 8.7704 8.7860 9.0560 9.0694 9.7102 9.7969 9.8567 9.9123 10.3586 10.3785 11.3885 11.4123 12.0442 12.1444 12.3089 12.4496 k = 0.1364 0.3702-0.0000 ( 3646 PWs) bands (ev): -4.3905 -4.3902 -3.4186 -3.4166 -1.4631 -1.4613 1.2005 1.2029 3.3951 3.4119 3.5065 3.5159 5.8280 5.8356 6.0510 6.0566 6.3507 6.3517 6.8754 6.8758 7.3843 7.4926 7.5892 7.6040 8.1152 8.1538 8.2112 8.2201 8.4740 8.4811 8.5893 8.6223 8.7816 8.8005 9.0750 9.0875 9.7674 9.8376 9.8655 9.8988 10.3906 10.4154 11.3669 11.3870 12.1708 12.1991 12.3568 12.4179 k = 0.1250 0.3702-0.0000 ( 3652 PWs) bands (ev): -4.4067 -4.4064 -3.4234 -3.4215 -1.4916 -1.4899 1.1898 1.1920 3.3707 3.3861 3.4814 3.4895 5.8717 5.8786 6.1018 6.1086 6.3597 6.3608 6.8952 6.8974 7.4701 7.5634 7.6077 7.6266 8.1360 8.1614 8.2071 8.2294 8.4712 8.4784 8.5908 8.6236 8.7929 8.8142 9.0957 9.1073 9.8244 9.8317 9.8829 9.9165 10.4295 10.4600 11.3458 11.3626 12.1838 12.2823 12.3963 12.4654 k = 0.1136 0.3702-0.0000 ( 3654 PWs) bands (ev): -4.4216 -4.4213 -3.4279 -3.4261 -1.5176 -1.5161 1.1796 1.1815 3.3483 3.3623 3.4584 3.4654 5.9127 5.9190 6.1499 6.1581 6.3669 6.3702 6.9113 6.9149 7.5505 7.6087 7.6267 7.6699 8.1481 8.1591 8.2120 8.2484 8.4657 8.4727 8.5918 8.6243 8.8042 8.8270 9.1184 9.1290 9.8163 9.8536 9.8917 9.9722 10.4756 10.5126 11.3256 11.3389 12.1494 12.3040 12.4561 12.5791 k = 0.1023 0.3702-0.0000 ( 3652 PWs) bands (ev): -4.4352 -4.4350 -3.4321 -3.4305 -1.5411 -1.5398 1.1700 1.1717 3.3280 3.3406 3.4375 3.4434 5.9509 5.9565 6.1948 6.2047 6.3734 6.3791 6.9240 6.9287 7.6172 7.6304 7.6538 7.7312 8.1476 8.1512 8.2294 8.2730 8.4574 8.4640 8.5923 8.6246 8.8154 8.8387 9.1434 9.1530 9.7966 9.8326 9.9466 10.0268 10.5285 10.5728 11.3065 11.3159 12.1076 12.2645 12.5640 12.6800 k = 0.0909 0.3702-0.0000 ( 3660 PWs) bands (ev): -4.4474 -4.4472 -3.4360 -3.4346 -1.5622 -1.5610 1.1611 1.1626 3.3097 3.3210 3.4187 3.4237 5.9859 5.9909 6.2359 6.2480 6.3789 6.3875 6.9337 6.9391 7.6456 7.6464 7.7119 7.7932 8.1400 8.1410 8.2538 8.2995 8.4465 8.4526 8.5924 8.6242 8.8262 8.8490 9.1709 9.1795 9.7730 9.8054 10.0031 10.0789 10.5878 10.6403 11.2888 11.2933 12.0608 12.2131 12.6645 12.7586 k = 0.0795 0.3702-0.0000 ( 3668 PWs) bands (ev): -4.4583 -4.4581 -3.4396 -3.4383 -1.5808 -1.5798 1.1530 1.1543 3.2937 3.3035 3.4020 3.4062 6.0176 6.0219 6.2726 6.2875 6.3838 6.3958 6.9411 6.9467 7.6580 7.6613 7.7774 7.8514 8.1299 8.1300 8.2798 8.3259 8.4336 8.4392 8.5920 8.6230 8.8364 8.8581 9.2011 9.2089 9.7459 9.7746 10.0574 10.1274 10.6526 10.7139 11.2713 11.2728 12.0102 12.1555 12.7442 12.8089 k = 0.0682 0.3702-0.0000 ( 3672 PWs) bands (ev): -4.4678 -4.4676 -3.4427 -3.4417 -1.5969 -1.5960 1.1458 1.1469 3.2798 3.2882 3.3876 3.3910 6.0457 6.0493 6.3044 6.3227 6.3883 6.4042 6.9463 6.9519 7.6686 7.6727 7.8393 7.9048 8.1192 8.1195 8.3042 8.3495 8.4202 8.4251 8.5913 8.6212 8.8458 8.8657 9.2341 9.2412 9.7155 9.7407 10.1084 10.1714 10.7215 10.7922 11.2500 11.2589 11.9566 12.0929 12.7948 12.8319 k = 0.0568 0.3702-0.0000 ( 3668 PWs) bands (ev): -4.4758 -4.4757 -3.4454 -3.4445 -1.6106 -1.6098 1.1397 1.1405 3.2681 3.2751 3.3753 3.3781 6.0700 6.0730 6.3306 6.3526 6.3928 6.4130 6.9501 6.9552 7.6775 7.6817 7.8961 7.9528 8.1091 8.1095 8.3238 8.3652 8.4109 8.4130 8.5907 8.6187 8.8544 8.8718 9.2698 9.2765 9.6820 9.7040 10.1550 10.2099 10.7926 10.8728 11.2297 11.2477 11.9015 12.0264 12.8166 12.8348 k = 0.0455 0.3702-0.0000 ( 3660 PWs) bands (ev): -4.4824 -4.4823 -3.4476 -3.4469 -1.6217 -1.6211 1.1346 1.1352 3.2586 3.2642 3.3653 3.3675 6.0903 6.0927 6.3508 6.3746 6.3996 6.4220 6.9527 6.9571 7.6849 7.6887 7.9472 7.9950 8.1003 8.1006 8.3333 8.3633 8.4078 8.4148 8.5902 8.6154 8.8620 8.8765 9.3080 9.3145 9.6458 9.6649 10.1962 10.2419 10.8632 10.9518 11.2114 11.2400 11.8471 11.9576 12.8185 12.8266 k = 0.0341 0.3702-0.0000 ( 3664 PWs) bands (ev): -4.4875 -4.4874 -3.4494 -3.4488 -1.6304 -1.6300 1.1305 1.1310 3.2514 3.2556 3.3576 3.3592 6.1064 6.1082 6.3653 6.3848 6.4121 6.4307 6.9545 6.9580 7.6906 7.6937 7.9919 8.0302 8.0929 8.0931 8.3303 8.3495 8.4127 8.4258 8.5903 8.6113 8.8684 8.8796 9.3482 9.3550 9.6073 9.6236 10.2310 10.2664 10.9298 11.0226 11.1973 11.2360 11.7971 11.8890 12.8112 12.8144 k = 0.0227 0.3702-0.0000 ( 3664 PWs) bands (ev): -4.4912 -4.4911 -3.4506 -3.4503 -1.6366 -1.6363 1.1277 1.1280 3.2464 3.2492 3.3521 3.3532 6.1181 6.1192 6.3752 6.3877 6.4257 6.4376 6.9557 6.9582 7.6948 7.6971 8.0290 8.0568 8.0871 8.0873 8.3212 8.3338 8.4226 8.4349 8.5915 8.6068 8.8737 8.8813 9.3897 9.3970 9.5672 9.5809 10.2585 10.2827 10.9887 11.0722 11.1944 11.2353 11.7573 11.8251 12.8018 12.8030 k = 0.0114 0.3702-0.0000 ( 3668 PWs) bands (ev): -4.4934 -4.4934 -3.4513 -3.4511 -1.6402 -1.6401 1.1260 1.1261 3.2437 3.2451 3.3489 3.3494 6.1253 6.1258 6.3817 6.3876 6.4356 6.4413 6.9566 6.9579 7.6976 7.6987 8.0567 8.0728 8.0819 8.0834 8.3139 8.3206 8.4320 8.4391 8.5939 8.6020 8.8776 8.8815 9.4312 9.4388 9.5272 9.5381 10.2779 10.2902 11.0359 11.0853 11.2093 11.2344 11.7359 11.7727 12.7948 12.7951 k = 0.0000 0.3702-0.0000 ( 3672 PWs) bands (ev): -4.4941 -4.4941 -3.4515 -3.4515 -1.6414 -1.6414 1.1254 1.1254 3.2433 3.2433 3.3480 3.3480 6.1278 6.1278 6.3856 6.3856 6.4408 6.4408 6.9573 6.9573 7.6989 7.6989 8.0733 8.0733 8.0803 8.0803 8.3133 8.3133 8.4379 8.4379 8.5976 8.5976 8.8802 8.8802 9.4629 9.4629 9.5048 9.5048 10.2886 10.2886 11.0693 11.0693 11.2269 11.2269 11.7407 11.7407 12.7923 12.7923 k = 0.0000 0.3702-0.0000 ( 3672 PWs) bands (ev): -4.4941 -4.4941 -3.4515 -3.4515 -1.6414 -1.6414 1.1254 1.1254 3.2433 3.2433 3.3480 3.3480 6.1278 6.1278 6.3856 6.3856 6.4408 6.4408 6.9573 6.9573 7.6989 7.6989 8.0733 8.0733 8.0803 8.0803 8.3133 8.3133 8.4379 8.4379 8.5976 8.5976 8.8802 8.8802 9.4629 9.4629 9.5048 9.5048 10.2886 10.2886 11.0693 11.0693 11.2269 11.2269 11.7407 11.7407 12.7923 12.7923 k = 0.0000 0.3590-0.0000 ( 3676 PWs) bands (ev): -4.4963 -4.4960 -3.4509 -3.4507 -1.6384 -1.6383 1.1236 1.1237 3.2363 3.2565 3.3415 3.3605 6.1277 6.1280 6.3842 6.3856 6.4410 6.4416 6.9343 6.9495 7.6943 7.7015 8.0715 8.0792 8.0832 8.0877 8.3122 8.3147 8.4361 8.4414 8.5964 8.5978 8.8772 8.8824 9.4558 9.4599 9.4987 9.5127 10.2903 10.2905 11.0711 11.0739 11.2307 11.2310 11.7307 11.7392 12.7911 12.8006 k = 0.0000 0.3478-0.0000 ( 3662 PWs) bands (ev): -4.5025 -4.5020 -3.4490 -3.4485 -1.6293 -1.6290 1.1183 1.1185 3.2358 3.2760 3.3410 3.3790 6.1275 6.1281 6.3810 6.3841 6.4422 6.4434 6.8831 6.9116 7.6894 7.7016 8.0677 8.0784 8.1053 8.1093 8.3117 8.3167 8.4360 8.4466 8.5945 8.5972 8.8734 8.8838 9.4398 9.4460 9.4954 9.5214 10.2952 10.2955 11.0796 11.0852 11.2424 11.2429 11.7101 11.7264 12.7968 12.8150 k = 0.0000 0.3365-0.0000 ( 3662 PWs) bands (ev): -4.5125 -4.5118 -3.4458 -3.4450 -1.6141 -1.6136 1.1096 1.1099 3.2414 3.3014 3.3466 3.4032 6.1273 6.1281 6.3757 6.3811 6.4443 6.4462 6.8082 6.8476 7.6855 7.6995 8.0617 8.0760 8.1352 8.1386 8.3130 8.3203 8.4375 8.4534 8.5919 8.5958 8.8689 8.8843 9.4158 9.4228 9.4939 9.5302 10.3021 10.3027 11.0949 11.1032 11.2619 11.2628 11.6803 11.7030 12.8082 12.8337 k = 0.0000 0.3253-0.0000 ( 3666 PWs) bands (ev): -4.5261 -4.5252 -3.4416 -3.4406 -1.5928 -1.5922 1.0977 1.0981 3.2532 3.3315 3.3593 3.4332 6.1271 6.1282 6.3674 6.3760 6.4472 6.4500 6.7150 6.7635 7.6828 7.6963 8.0541 8.0720 8.1649 8.1671 8.3191 8.3280 8.4404 8.4619 8.5886 8.5935 8.8636 8.8840 9.3849 9.3924 9.4930 9.5388 10.3098 10.3105 11.1174 11.1283 11.2892 11.2907 11.6433 11.6706 12.8233 12.8544 k = 0.0000 0.3141-0.0000 ( 3666 PWs) bands (ev): -4.5429 -4.5418 -3.4367 -3.4354 -1.5656 -1.5648 1.0829 1.0834 3.2709 3.3620 3.3831 3.4687 6.1270 6.1283 6.3540 6.3677 6.4508 6.4547 6.6095 6.6663 7.6812 7.6925 8.0451 8.0665 8.1863 8.1869 8.3334 8.3427 8.4447 8.4723 8.5848 8.5905 8.8578 8.8829 9.3486 9.3563 9.4918 9.5463 10.3167 10.3176 11.1476 11.1609 11.3236 11.3267 11.6017 11.6309 12.8399 12.8745 k = 0.0000 0.3029-0.0000 ( 3658 PWs) bands (ev): -4.5625 -4.5612 -3.4313 -3.4297 -1.5326 -1.5317 1.0655 1.0661 3.2944 3.3885 3.4219 3.5095 6.1270 6.1283 6.3300 6.3507 6.4530 6.4603 6.5027 6.5660 7.6802 7.6884 8.0351 8.0598 8.1921 8.1968 8.3562 8.3651 8.4500 8.4849 8.5810 8.5870 8.8515 8.8810 9.3080 9.3159 9.4895 9.5517 10.3216 10.3227 11.1857 11.2009 11.3630 11.3706 11.5596 11.5855 12.8554 12.8913 k = 0.0000 0.2917-0.0000 ( 3656 PWs) bands (ev): -4.5846 -4.5831 -3.4257 -3.4239 -1.4939 -1.4928 1.0459 1.0465 3.3233 3.4167 3.4695 3.5554 6.1271 6.1283 6.2808 6.2985 6.4121 6.4654 6.4655 6.4814 7.6792 7.6839 8.0241 8.0519 8.1866 8.1957 8.3827 8.3922 8.4559 8.4999 8.5776 8.5827 8.8446 8.8785 9.2644 9.2726 9.4855 9.5541 10.3236 10.3249 11.2319 11.2473 11.3991 11.4219 11.5274 11.5363 12.8678 12.9028 k = 0.0000 0.2805-0.0000 ( 3650 PWs) bands (ev): -4.6086 -4.6070 -3.4202 -3.4181 -1.4496 -1.4484 1.0243 1.0250 3.3575 3.4490 3.5229 3.6061 6.1265 6.1274 6.1898 6.1911 6.3809 6.4260 6.4703 6.4745 7.6778 7.6789 8.0123 8.0430 8.1729 8.1861 8.4078 8.4194 8.4618 8.5176 8.5754 8.5780 8.8374 8.8754 9.2189 9.2272 9.4791 9.5529 10.3221 10.3237 11.2861 11.2946 11.4090 11.4681 11.4968 11.5343 12.8754 12.9072 k = 0.0000 0.2692-0.0000 ( 3654 PWs) bands (ev): -4.6341 -4.6324 -3.4150 -3.4127 -1.4000 -1.3987 1.0011 1.0020 3.3967 3.4859 3.5811 3.6612 6.0494 6.0697 6.1286 6.1335 6.3658 6.3975 6.4769 6.4820 7.6731 7.6754 7.9999 8.0334 8.1531 8.1702 8.4287 8.4437 8.4667 8.5372 8.5731 8.5757 8.8298 8.8718 9.1722 9.1808 9.4698 9.5472 10.3170 10.3190 11.3129 11.3477 11.4179 11.4246 11.5518 11.5847 12.8772 12.9036 k = 0.0000 0.2580-0.0000 ( 3650 PWs) bands (ev): -4.6608 -4.6590 -3.4102 -3.4077 -1.3454 -1.3439 0.9767 0.9777 3.4406 3.5274 3.6437 3.7205 5.9088 5.9342 6.1294 6.1330 6.3541 6.3792 6.4842 6.4900 7.6661 7.6718 7.9869 8.0233 8.1286 8.1492 8.4448 8.4634 8.4698 8.5577 8.5685 8.5797 8.8220 8.8677 9.1252 9.1341 9.4574 9.5371 10.3084 10.3107 11.2794 11.3679 11.4174 11.4731 11.6242 11.6536 12.8729 12.8921 k = 0.0000 0.2468-0.0000 ( 3652 PWs) bands (ev): -4.6883 -4.6865 -3.4061 -3.4034 -1.2859 -1.2843 0.9515 0.9525 3.4891 3.5731 3.7100 3.7834 5.7629 5.7913 6.1307 6.1341 6.3431 6.3647 6.4918 6.4982 7.6576 7.6662 7.9731 8.0127 8.1000 8.1235 8.4565 8.4678 8.4813 8.5642 8.5782 8.5873 8.8140 8.8634 9.0783 9.0875 9.4420 9.5225 10.2965 10.2992 11.2285 11.3108 11.4918 11.5481 11.7030 11.7319 12.8632 12.8734 k = 0.0000 0.2356-0.0000 ( 3648 PWs) bands (ev): -4.7162 -4.7143 -3.4026 -3.3997 -1.2220 -1.2203 0.9256 0.9267 3.5419 3.6230 3.7798 3.8497 5.6145 5.6446 6.1324 6.1358 6.3320 6.3519 6.4996 6.5066 7.6469 7.6581 7.9585 8.0019 8.0683 8.0936 8.4636 8.4638 8.4952 8.5616 8.5968 8.5977 8.8058 8.8588 9.0322 9.0417 9.4238 9.5039 10.2817 10.2847 11.1730 11.2528 11.5712 11.6313 11.7871 11.8167 12.8490 12.8492 k = 0.0000 0.2244-0.0000 ( 3640 PWs) bands (ev): -4.7443 -4.7424 -3.3999 -3.3969 -1.1538 -1.1521 0.8995 0.9006 3.5987 3.6769 3.8525 3.9188 5.4650 5.4959 6.1346 6.1379 6.3208 6.3398 6.5075 6.5150 7.6336 7.6462 7.9425 7.9908 8.0350 8.0601 8.4564 8.4667 8.5076 8.5611 8.6091 8.6136 8.7976 8.8540 8.9872 8.9971 9.4032 9.4816 10.2644 10.2676 11.1161 11.1946 11.6536 11.7190 11.8758 11.9066 12.8211 12.8327 k = 0.0000 0.2131-0.0000 ( 3638 PWs) bands (ev): -4.7723 -4.7704 -3.3979 -3.3947 -1.0819 -1.0800 0.8732 0.8743 3.6593 3.7343 3.9276 3.9904 5.3153 5.3467 6.1371 6.1404 6.3093 6.3280 6.5153 6.5232 7.6166 7.6295 7.9237 7.9790 8.0026 8.0241 8.4472 8.4655 8.5193 8.5629 8.6206 8.6284 8.7895 8.8491 8.9436 8.9539 9.3809 9.4565 10.2448 10.2483 11.0587 11.1365 11.7370 11.8088 11.9685 12.0005 12.7919 12.8161 k = 0.0000 0.2019-0.0000 ( 3634 PWs) bands (ev): -4.7998 -4.7980 -3.3967 -3.3934 -1.0064 -1.0045 0.8472 0.8482 3.7234 3.7950 4.0044 4.0638 5.1664 5.1981 6.1401 6.1433 6.2973 6.3163 6.5229 6.5312 7.5950 7.6061 7.9006 7.9638 7.9744 7.9894 8.4365 8.4604 8.5303 8.5669 8.6311 8.6410 8.7816 8.8436 8.9025 8.9124 9.3573 9.4291 10.2236 10.2273 11.0017 11.0788 11.8189 11.8981 12.0646 12.0974 12.7645 12.8020 k = 0.0000 0.1907-0.0000 ( 3642 PWs) bands (ev): -4.8269 -4.8250 -3.3961 -3.3928 -0.9279 -0.9260 0.8214 0.8224 3.7905 3.8587 4.0820 4.1382 5.0196 5.0517 6.1434 6.1466 6.2851 6.3047 6.5302 6.5388 7.5674 7.5742 7.8731 7.9347 7.9523 7.9678 8.4248 8.4522 8.5410 8.5725 8.6405 8.6516 8.7737 8.8350 8.8663 8.8731 9.3330 9.4000 10.2009 10.2048 10.9455 11.0217 11.8968 11.9839 12.1635 12.1962 12.7423 12.7934 k = 0.0000 0.1795-0.0000 ( 3648 PWs) bands (ev): -4.8531 -4.8513 -3.3961 -3.3927 -0.8468 -0.8448 0.7962 0.7971 3.8605 3.9249 4.1588 4.2120 4.8765 4.9094 6.1472 6.1503 6.2726 6.2931 6.5370 6.5458 7.5319 7.5325 7.8441 7.8967 7.9358 7.9558 8.4125 8.4417 8.5511 8.5791 8.6487 8.6603 8.7660 8.8128 8.8362 8.8461 9.3086 9.3699 10.1773 10.1814 10.8906 10.9656 11.9673 12.0625 12.2644 12.2955 12.7297 12.7935 k = 0.0000 0.1683-0.0000 ( 3652 PWs) bands (ev): -4.8784 -4.8767 -3.3967 -3.3933 -0.7636 -0.7615 0.7717 0.7725 3.9327 3.9932 4.2309 4.2816 4.7413 4.7756 6.1512 6.1542 6.2598 6.2816 6.5434 6.5523 7.4786 7.4891 7.8165 7.8589 7.9229 7.9462 8.3997 8.4296 8.5609 8.5862 8.6556 8.6671 8.7579 8.7800 8.8026 8.8390 9.2843 9.3393 10.1531 10.1573 10.8374 10.9108 12.0274 12.1289 12.3668 12.3940 12.7323 12.8055 k = 0.0000 0.1571-0.0000 ( 3648 PWs) bands (ev): -4.9027 -4.9010 -3.3977 -3.3944 -0.6786 -0.6766 0.7480 0.7485 4.0064 4.0627 4.2877 4.3348 4.6268 4.6614 6.1556 6.1583 6.2469 6.2701 6.5492 6.5581 7.4148 7.4365 7.7917 7.8236 7.9124 7.9377 8.3867 8.4161 8.5700 8.5934 8.6615 8.6719 8.7471 8.7473 8.7752 8.8348 9.2606 9.3088 10.1285 10.1329 10.7862 10.8576 12.0747 12.1783 12.4698 12.4906 12.7552 12.8318 k = 0.0000 0.1458-0.0000 ( 3646 PWs) bands (ev): -4.9257 -4.9241 -3.3990 -3.3958 -0.5926 -0.5905 0.7251 0.7255 4.0801 4.1315 4.2995 4.3301 4.5759 4.5986 6.1603 6.1625 6.2339 6.2586 6.5544 6.5632 7.3419 7.3750 7.7695 7.7915 7.9036 7.9301 8.3736 8.4018 8.5784 8.6005 8.6663 8.6736 8.7163 8.7295 8.7598 8.8315 9.2378 9.2787 10.1040 10.1085 10.7376 10.8065 12.1082 12.2080 12.5726 12.5847 12.7999 12.8730 k = 0.0000 0.1346-0.0000 ( 3646 PWs) bands (ev): -4.9474 -4.9459 -3.4007 -3.3976 -0.5060 -0.5040 0.7031 0.7033 4.1443 4.1818 4.2559 4.2563 4.6093 4.6145 6.1651 6.1664 6.2210 6.2471 6.5590 6.5675 7.2616 7.3053 7.7492 7.7627 7.8962 7.9231 8.3603 8.3868 8.5856 8.6073 8.6694 8.6700 8.6883 8.7110 8.7530 8.8286 9.2161 9.2495 10.0799 10.0844 10.6918 10.7577 12.1290 12.2200 12.6742 12.6766 12.8630 12.9276 k = 0.0000 0.1234-0.0000 ( 3650 PWs) bands (ev): -4.9677 -4.9663 -3.4025 -3.3996 -0.4196 -0.4175 0.6820 0.6822 4.1062 4.1130 4.2562 4.2923 4.6753 4.6757 6.1694 6.1699 6.2088 6.2358 6.5629 6.5710 7.1758 7.2290 7.7303 7.7365 7.8901 7.9169 8.3472 8.3714 8.5907 8.6132 8.6560 8.6634 8.6739 8.7011 8.7495 8.8260 9.1955 9.2214 10.0564 10.0610 10.6493 10.7117 12.1394 12.2194 12.7665 12.7740 12.9375 12.9923 k = 0.0000 0.1122-0.0000 ( 3656 PWs) bands (ev): -4.9864 -4.9851 -3.4045 -3.4017 -0.3341 -0.3320 0.6618 0.6622 3.9947 4.0017 4.3254 4.3602 4.7514 4.7515 6.1696 6.1745 6.1993 6.2247 6.5661 6.5737 7.0863 7.1476 7.7121 7.7126 7.8850 7.9113 8.3342 8.3559 8.5915 8.6165 8.6389 8.6454 8.6761 8.6976 8.7478 8.8233 9.1763 9.1950 10.0339 10.0384 10.6103 10.6686 12.1424 12.2109 12.8542 12.8710 13.0168 13.0630 k = 0.0000 0.1010-0.0000 ( 3646 PWs) bands (ev): -5.0036 -5.0024 -3.4065 -3.4039 -0.2503 -0.2482 0.6425 0.6431 3.8804 3.8881 4.3992 4.4294 4.8300 4.8329 6.1636 6.1785 6.1955 6.2143 6.5687 6.5755 6.9947 7.0627 7.6906 7.6944 7.8810 7.9063 8.3217 8.3408 8.5852 8.6080 8.6323 8.6362 8.6782 8.6960 8.7477 8.8206 9.1585 9.1706 10.0127 10.0171 10.5750 10.6288 12.1404 12.1984 12.9388 12.9645 13.0960 13.1354 k = 0.0000 0.0897-0.0000 ( 3642 PWs) bands (ev): -5.0191 -5.0180 -3.4084 -3.4061 -0.1692 -0.1670 0.6241 0.6250 3.7707 3.7786 4.4716 4.4968 4.9095 4.9160 6.1522 6.1803 6.1969 6.2057 6.5708 6.5765 6.9028 6.9760 7.6703 7.6772 7.8779 7.9018 8.3097 8.3262 8.5726 8.5905 8.6350 8.6351 8.6799 8.6948 8.7487 8.8177 9.1421 9.1484 9.9929 9.9971 10.5438 10.5926 12.1357 12.1841 13.0189 13.0535 13.1718 13.2047 k = 0.0000 0.0785-0.0000 ( 3646 PWs) bands (ev): -5.0329 -5.0320 -3.4103 -3.4082 -0.0917 -0.0895 0.6065 0.6078 3.6684 3.6760 4.5406 4.5608 4.9884 4.9986 6.1382 6.1767 6.2002 6.2020 6.5722 6.5765 6.8127 6.8893 7.6516 7.6604 7.8757 7.8978 8.2985 8.3124 8.5583 8.5729 8.6372 8.6391 8.6814 8.6936 8.7506 8.8143 9.1274 9.1289 9.9749 9.9788 10.5164 10.5600 12.1295 12.1696 13.0929 13.1371 13.2420 13.2665 k = 0.0000 0.0673-0.0000 ( 3648 PWs) bands (ev): -5.0449 -5.0441 -3.4120 -3.4101 -0.0190 -0.0168 0.5898 0.5914 3.5753 3.5823 4.6047 4.6201 5.0658 5.0791 6.1231 6.1669 6.2033 6.2040 6.5732 6.5750 6.7273 6.8043 7.6347 7.6443 7.8742 7.8941 8.2883 8.2997 8.5446 8.5568 8.6404 8.6428 8.6828 8.6925 8.7533 8.8105 9.1121 9.1142 9.9588 9.9624 10.4933 10.5312 12.1231 12.1557 13.1594 13.2141 13.3049 13.3165 k = 0.0000 0.0561-0.0000 ( 3646 PWs) bands (ev): -5.0552 -5.0545 -3.4135 -3.4119 0.0476 0.0498 0.5740 0.5757 3.4931 3.4991 4.6622 4.6734 5.1404 5.1558 6.1077 6.1536 6.2067 6.2078 6.5697 6.5736 6.6517 6.7234 7.6197 7.6293 7.8736 7.8908 8.2793 8.2884 8.5327 8.5429 8.6436 8.6460 8.6840 8.6916 8.7566 8.8061 9.0984 9.1028 9.9449 9.9481 10.4743 10.5063 12.1170 12.1431 13.2172 13.2835 13.3524 13.3596 k = 0.0000 0.0449-0.0000 ( 3644 PWs) bands (ev): -5.0636 -5.0630 -3.4148 -3.4135 0.1066 0.1087 0.5591 0.5609 3.4231 3.4282 4.7118 4.7194 5.2105 5.2264 6.0927 6.1376 6.2105 6.2114 6.5480 6.5726 6.6025 6.6496 7.6071 7.6159 7.8735 7.8878 8.2717 8.2788 8.5229 8.5311 8.6463 8.6485 8.6851 8.6908 8.7604 8.8014 9.0876 9.0929 9.9334 9.9361 10.4594 10.4853 12.1119 12.1321 13.2655 13.3440 13.3746 13.4050 k = 0.0000 0.0337-0.0000 ( 3641 PWs) bands (ev): -5.0701 -5.0697 -3.4157 -3.4148 0.1563 0.1582 0.5455 0.5473 3.3671 3.3710 4.7520 4.7568 5.2732 5.2877 6.0790 6.1191 6.2140 6.2145 6.5050 6.5620 6.5885 6.5942 7.5972 7.6044 7.8741 7.8851 8.2658 8.2710 8.5155 8.5217 8.6486 8.6504 8.6861 8.6901 8.7647 8.7962 9.0798 9.0849 9.9244 9.9264 10.4487 10.4682 12.1082 12.1229 13.3045 13.3857 13.3944 13.4402 k = 0.0000 0.0224-0.0000 ( 3629 PWs) bands (ev): -5.0748 -5.0745 -3.4164 -3.4158 0.1948 0.1963 0.5343 0.5357 3.3262 3.3288 4.7817 4.7844 5.3247 5.3359 6.0687 6.0991 6.2170 6.2170 6.4701 6.5197 6.5820 6.5845 7.5903 7.5954 7.8751 7.8827 8.2618 8.2651 8.5104 8.5146 8.6504 8.6516 8.6871 8.6896 8.7694 8.7908 9.0747 9.0787 9.9180 9.9194 10.4420 10.4551 12.1060 12.1156 13.3349 13.3883 13.4335 13.4642 k = 0.0000 0.0112-0.0000 ( 3623 PWs) bands (ev): -5.0776 -5.0775 -3.4167 -3.4164 0.2195 0.2204 0.5266 0.5274 3.3014 3.3028 4.8000 4.8012 5.3600 5.3661 6.0642 6.0807 6.2188 6.2189 6.4538 6.4808 6.5811 6.5826 7.5866 7.5893 7.8766 7.8804 8.2596 8.2612 8.5079 8.5100 8.6516 8.6522 8.6879 8.6891 8.7744 8.7852 9.0723 9.0744 9.9142 9.9149 10.4394 10.4459 12.1055 12.1103 13.3577 13.3842 13.4605 13.4759 k = 0.0000 0.0000 0.0000 ( 3619 PWs) bands (ev): -5.0785 -5.0785 -3.4167 -3.4167 0.2284 0.2284 0.5242 0.5242 3.2936 3.2936 4.8065 4.8065 5.3746 5.3746 6.0682 6.0682 6.2195 6.2195 6.4578 6.4578 6.5815 6.5815 7.5863 7.5863 7.8784 7.8784 8.2594 8.2594 8.5077 8.5077 8.6522 8.6522 8.6886 8.6886 8.7797 8.7797 9.0722 9.0722 9.9132 9.9132 10.4407 10.4407 12.1069 12.1069 13.3740 13.3740 13.4747 13.4747 k = 0.0000 0.0000 0.0000 ( 3619 PWs) bands (ev): -5.0785 -5.0785 -3.4167 -3.4167 0.2284 0.2284 0.5242 0.5242 3.2936 3.2936 4.8065 4.8065 5.3746 5.3746 6.0682 6.0682 6.2195 6.2195 6.4578 6.4578 6.5815 6.5815 7.5863 7.5863 7.8784 7.8784 8.2594 8.2594 8.5077 8.5077 8.6522 8.6522 8.6886 8.6886 8.7797 8.7797 9.0722 9.0722 9.9132 9.9132 10.4407 10.4407 12.1069 12.1069 13.3740 13.3740 13.4747 13.4747 k = 0.0000 0.0000 0.0114 ( 3623 PWs) bands (ev): -5.0774 -5.0774 -3.4187 -3.4187 0.2289 0.2289 0.5243 0.5243 3.2947 3.2947 4.8073 4.8073 5.3716 5.3716 6.0708 6.0708 6.2199 6.2199 6.4515 6.4515 6.5809 6.5809 7.5943 7.5943 7.8792 7.8792 8.2606 8.2606 8.5069 8.5069 8.6526 8.6526 8.6882 8.6882 8.7804 8.7804 9.0720 9.0720 9.9125 9.9125 10.4413 10.4413 12.1042 12.1042 13.3717 13.3717 13.4743 13.4743 k = 0.0000 0.0000 0.0228 ( 3629 PWs) bands (ev): -5.0742 -5.0742 -3.4246 -3.4246 0.2303 0.2303 0.5248 0.5248 3.2979 3.2979 4.8096 4.8096 5.3624 5.3624 6.0786 6.0786 6.2210 6.2210 6.4334 6.4334 6.5794 6.5794 7.6172 7.6172 7.8819 7.8819 8.2640 8.2640 8.5043 8.5043 8.6537 8.6537 8.6875 8.6875 8.7823 8.7823 9.0712 9.0712 9.9102 9.9102 10.4431 10.4431 12.0963 12.0963 13.3648 13.3648 13.4731 13.4731 k = 0.0000 0.0000 0.0343 ( 3637 PWs) bands (ev): -5.0689 -5.0689 -3.4343 -3.4343 0.2327 0.2327 0.5256 0.5256 3.3033 3.3033 4.8135 4.8135 5.3470 5.3470 6.0912 6.0912 6.2231 6.2231 6.4054 6.4054 6.5771 6.5771 7.6525 7.6525 7.8870 7.8870 8.2696 8.2696 8.5001 8.5001 8.6541 8.6541 8.6878 8.6878 8.7854 8.7854 9.0700 9.0700 9.9065 9.9065 10.4461 10.4461 12.0834 12.0834 13.3530 13.3530 13.4715 13.4715 k = 0.0000 0.0000 0.0457 ( 3642 PWs) bands (ev): -5.0614 -5.0614 -3.4479 -3.4479 0.2360 0.2360 0.5266 0.5266 3.3108 3.3108 4.8191 4.8191 5.3253 5.3253 6.1082 6.1082 6.2261 6.2261 6.3705 6.3705 6.5742 6.5742 7.6960 7.6960 7.8956 7.8956 8.2774 8.2774 8.4944 8.4944 8.6523 8.6523 8.6908 8.6908 8.7894 8.7894 9.0683 9.0683 9.9012 9.9012 10.4505 10.4505 12.0664 12.0664 13.3358 13.3358 13.4696 13.4696 k = 0.0000 0.0000 0.0571 ( 3646 PWs) bands (ev): -5.0518 -5.0518 -3.4651 -3.4651 0.2401 0.2401 0.5279 0.5279 3.3201 3.3201 4.8268 4.8268 5.2974 5.2974 6.1281 6.1281 6.2303 6.2303 6.3325 6.3325 6.5708 6.5708 7.7423 7.7423 7.9104 7.9104 8.2872 8.2872 8.4871 8.4871 8.6472 8.6472 8.6976 8.6976 8.7942 8.7942 9.0662 9.0662 9.8943 9.8943 10.4564 10.4564 12.0459 12.0459 13.3128 13.3128 13.4677 13.4677 k = 0.0000 0.0000 0.0685 ( 3656 PWs) bands (ev): -5.0402 -5.0402 -3.4858 -3.4858 0.2452 0.2452 0.5294 0.5294 3.3312 3.3312 4.8367 4.8367 5.2632 5.2632 6.1483 6.1483 6.2355 6.2355 6.2965 6.2965 6.5669 6.5669 7.7842 7.7842 7.9356 7.9356 8.2988 8.2988 8.4784 8.4784 8.6390 8.6390 8.7079 8.7079 8.7995 8.7995 9.0637 9.0637 9.8859 9.8859 10.4638 10.4638 12.0231 12.0231 13.2834 13.2834 13.4659 13.4659 k = 0.0000 0.0000 0.0799 ( 3658 PWs) bands (ev): -5.0264 -5.0264 -3.5099 -3.5099 0.2511 0.2511 0.5309 0.5309 3.3438 3.3438 4.8488 4.8488 5.2230 5.2230 6.1616 6.1616 6.2362 6.2362 6.2770 6.2770 6.5623 6.5623 7.8158 7.8158 7.9749 7.9749 8.3119 8.3119 8.4685 8.4685 8.6284 8.6284 8.7211 8.7211 8.8056 8.8056 9.0609 9.0609 9.8758 9.8758 10.4729 10.4729 11.9991 11.9991 13.2467 13.2467 13.4642 13.4642 k = 0.0000 0.0000 0.0913 ( 3658 PWs) bands (ev): -5.0106 -5.0106 -3.5373 -3.5373 0.2579 0.2579 0.5325 0.5325 3.3579 3.3579 4.8631 4.8631 5.1772 5.1772 6.1550 6.1550 6.2298 6.2298 6.2904 6.2904 6.5573 6.5573 7.8369 7.8369 8.0264 8.0264 8.3262 8.3262 8.4575 8.4575 8.6155 8.6155 8.7367 8.7367 8.8122 8.8122 9.0579 9.0579 9.8641 9.8641 10.4838 10.4838 11.9748 11.9748 13.2018 13.2018 13.4625 13.4625 k = 0.0000 0.0000 0.1028 ( 3662 PWs) bands (ev): -4.9927 -4.9927 -3.5675 -3.5675 0.2655 0.2655 0.5340 0.5340 3.3734 3.3734 4.8794 4.8794 5.1270 5.1270 6.1286 6.1286 6.2313 6.2313 6.3225 6.3225 6.5517 6.5517 7.8514 7.8514 8.0845 8.0845 8.3411 8.3411 8.4459 8.4459 8.6005 8.6005 8.7541 8.7541 8.8193 8.8193 9.0546 9.0546 9.8507 9.8507 10.4968 10.4968 11.9517 11.9517 13.1476 13.1476 13.4606 13.4606 k = 0.0000 0.0000 0.1142 ( 3664 PWs) bands (ev): -4.9729 -4.9729 -3.6006 -3.6006 0.2738 0.2738 0.5353 0.5353 3.3900 3.3900 4.8960 4.8960 5.0744 5.0744 6.0954 6.0954 6.2366 6.2366 6.3644 6.3644 6.5456 6.5456 7.8628 7.8628 8.1441 8.1441 8.3556 8.3556 8.4346 8.4346 8.5834 8.5834 8.7730 8.7730 8.8273 8.8273 9.0512 9.0512 9.8356 9.8356 10.5120 10.5120 11.9307 11.9307 13.0833 13.0833 13.4578 13.4578 k = 0.0000 0.0000 0.1256 ( 3676 PWs) bands (ev): -4.9510 -4.9510 -3.6363 -3.6363 0.2828 0.2828 0.5365 0.5365 3.4078 3.4078 4.9071 4.9071 5.0261 5.0261 6.0614 6.0614 6.2428 6.2428 6.4128 6.4128 6.5389 6.5389 7.8729 7.8729 8.2021 8.2021 8.3674 8.3674 8.4258 8.4258 8.5639 8.5639 8.7925 8.7925 8.8366 8.8366 9.0478 9.0478 9.8187 9.8187 10.5297 10.5297 11.9129 11.9129 13.0084 13.0084 13.4514 13.4514 k = 0.0000 0.0000 0.1370 ( 3692 PWs) bands (ev): -4.9272 -4.9272 -3.6742 -3.6742 0.2925 0.2925 0.5373 0.5373 3.4267 3.4267 4.8927 4.8927 5.0028 5.0028 6.0283 6.0283 6.2495 6.2495 6.4662 6.4662 6.5319 6.5319 7.8826 7.8826 8.2557 8.2557 8.3716 8.3716 8.4246 8.4246 8.5424 8.5424 8.8109 8.8109 8.8489 8.8489 9.0445 9.0445 9.8001 9.8001 10.5500 10.5500 11.8995 11.8995 12.9237 12.9237 13.4262 13.4262 k = 0.0000 0.0000 0.1484 ( 3694 PWs) bands (ev): -4.9014 -4.9014 -3.7142 -3.7142 0.3027 0.3027 0.5377 0.5377 3.4469 3.4469 4.8436 4.8436 5.0144 5.0144 5.9964 5.9964 6.2564 6.2564 6.5184 6.5184 6.5301 6.5301 7.8924 7.8924 8.3014 8.3014 8.3671 8.3671 8.4336 8.4336 8.5195 8.5195 8.8259 8.8259 8.8663 8.8663 9.0414 9.0414 9.7798 9.7798 10.5735 10.5735 11.8910 11.8910 12.8306 12.8306 13.3764 13.3764 k = 0.0000 0.0000 0.1598 ( 3694 PWs) bands (ev): -4.8738 -4.8738 -3.7561 -3.7561 0.3135 0.3135 0.5376 0.5376 3.4683 3.4683 4.7799 4.7799 5.0412 5.0412 5.9658 5.9658 6.2637 6.2637 6.5151 6.5151 6.5872 6.5872 7.9024 7.9024 8.3270 8.3270 8.3665 8.3665 8.4480 8.4480 8.4979 8.4979 8.8372 8.8372 8.8889 8.8889 9.0386 9.0386 9.7578 9.7578 10.6001 10.6001 11.8882 11.8882 12.7312 12.7312 13.3218 13.3218 k = 0.0000 0.0000 0.1713 ( 3694 PWs) bands (ev): -4.8444 -4.8444 -3.7996 -3.7996 0.3248 0.3248 0.5369 0.5369 3.4911 3.4911 4.7113 4.7113 5.0740 5.0740 5.9361 5.9361 6.2714 6.2714 6.5068 6.5068 6.6525 6.6525 7.9130 7.9130 8.3217 8.3217 8.3753 8.3753 8.4639 8.4639 8.4859 8.4859 8.8464 8.8464 8.9148 8.9148 9.0363 9.0363 9.7342 9.7342 10.6303 10.6303 11.8912 11.8912 12.6280 12.6280 13.2669 13.2669 k = 0.0000 0.0000 0.1827 ( 3690 PWs) bands (ev): -4.8131 -4.8131 -3.8445 -3.8445 0.3365 0.3365 0.5356 0.5356 3.5154 3.5154 4.6407 4.6407 5.1103 5.1103 5.9070 5.9070 6.2794 6.2794 6.4980 6.4980 6.7213 6.7213 7.9241 7.9241 8.3056 8.3056 8.3642 8.3642 8.4792 8.4792 8.4939 8.4939 8.8549 8.8549 8.9424 8.9424 9.0349 9.0349 9.7089 9.7089 10.6642 10.6642 11.8994 11.8994 12.5237 12.5237 13.2117 13.2117 k = 0.0000 0.0000 0.1941 ( 3690 PWs) bands (ev): -4.7802 -4.7802 -3.8905 -3.8905 0.3485 0.3485 0.5335 0.5335 3.5414 3.5414 4.5694 4.5694 5.1489 5.1489 5.8782 5.8782 6.2878 6.2878 6.4888 6.4888 6.7934 6.7934 7.9358 7.9358 8.2860 8.2860 8.3328 8.3328 8.4948 8.4948 8.5135 8.5135 8.8631 8.8631 8.9695 8.9695 9.0357 9.0357 9.6820 9.6820 10.7021 10.7021 11.9114 11.9114 12.4215 12.4215 13.1558 13.1558 k = 0.0000 0.0000 0.2055 ( 3684 PWs) bands (ev): -4.7455 -4.7455 -3.9375 -3.9375 0.3608 0.3608 0.5307 0.5307 3.5693 3.5693 4.4982 4.4982 5.1892 5.1892 5.8495 5.8495 6.2964 6.2964 6.4793 6.4793 6.8685 6.8685 7.9482 7.9482 8.2617 8.2617 8.2932 8.2932 8.5102 8.5102 8.5346 8.5346 8.8716 8.8716 8.9914 8.9914 9.0430 9.0430 9.6537 9.6537 10.7441 10.7441 11.9233 11.9233 12.3264 12.3264 13.0987 13.0987 k = 0.0000 0.0000 0.2169 ( 3680 PWs) bands (ev): -4.7092 -4.7092 -3.9852 -3.9852 0.3732 0.3732 0.5271 0.5271 3.5992 3.5992 4.4276 4.4276 5.2307 5.2307 5.8205 5.8205 6.3054 6.3054 6.4695 6.4695 6.9463 6.9463 7.9611 7.9611 8.2228 8.2228 8.2598 8.2598 8.5245 8.5245 8.5533 8.5533 8.8806 8.8806 9.0017 9.0017 9.0629 9.0629 9.6239 9.6239 10.7905 10.7905 11.9260 11.9260 12.2483 12.2483 13.0401 13.0401 k = 0.0000 0.0000 0.2283 ( 3684 PWs) bands (ev): -4.6714 -4.6714 -4.0334 -4.0334 0.3857 0.3857 0.5226 0.5226 3.6313 3.6313 4.3582 4.3582 5.2727 5.2727 5.7910 5.7910 6.3147 6.3147 6.4595 6.4595 7.0266 7.0266 7.9745 7.9745 8.1680 8.1680 8.2357 8.2357 8.5377 8.5377 8.5686 8.5686 8.8901 8.8901 9.0031 9.0031 9.0923 9.0923 9.5927 9.5927 10.8413 10.8413 11.9034 11.9034 12.2035 12.2035 12.9797 12.9797 k = 0.0000 0.0000 0.2398 ( 3674 PWs) bands (ev): -4.6322 -4.6322 -4.0820 -4.0820 0.3983 0.3983 0.5173 0.5173 3.6659 3.6659 4.2904 4.2904 5.3151 5.3151 5.7608 5.7608 6.3243 6.3243 6.4493 6.4493 7.1091 7.1091 7.9877 7.9877 8.1059 8.1059 8.2142 8.2142 8.5497 8.5497 8.5804 8.5804 8.9001 8.9001 9.0009 9.0009 9.1258 9.1258 9.5603 9.5603 10.8966 10.8966 11.8466 11.8466 12.2011 12.2011 12.9176 12.9176 k = 0.0000 0.0000 0.2512 ( 3674 PWs) bands (ev): -4.5915 -4.5915 -4.1307 -4.1307 0.4107 0.4107 0.5111 0.5111 3.7030 3.7030 4.2244 4.2244 5.3573 5.3573 5.7298 5.7298 6.3341 6.3341 6.4389 6.4389 7.1935 7.1935 7.9951 7.9951 8.0445 8.0445 8.1933 8.1933 8.5603 8.5603 8.5889 8.5889 8.9105 8.9105 8.9968 8.9968 9.1612 9.1612 9.5267 9.5267 10.9566 10.9566 11.7672 11.7672 12.2292 12.2292 12.8538 12.8538 k = 0.0000 0.0000 0.2626 ( 3662 PWs) bands (ev): -4.5495 -4.5495 -4.1794 -4.1794 0.4229 0.4229 0.5041 0.5041 3.7427 3.7427 4.1605 4.1605 5.3991 5.3991 5.6977 5.6977 6.3442 6.3442 6.4284 6.4284 7.2794 7.2794 7.9521 7.9521 8.0296 8.0296 8.1729 8.1729 8.5698 8.5698 8.5945 8.5945 8.9211 8.9211 8.9915 8.9915 9.1976 9.1976 9.4922 9.4922 11.0211 11.0211 11.6786 11.6786 12.2741 12.2741 12.7884 12.7884 k = 0.0000 0.0000 0.2740 ( 3658 PWs) bands (ev): -4.5063 -4.5063 -4.2278 -4.2278 0.4349 0.4349 0.4963 0.4963 3.7852 3.7852 4.0989 4.0989 5.4402 5.4402 5.6646 5.6646 6.3544 6.3544 6.4178 6.4178 7.3663 7.3663 7.8775 7.8775 8.0428 8.0428 8.1528 8.1528 8.5779 8.5779 8.5975 8.5975 8.9317 8.9317 8.9852 8.9852 9.2346 9.2346 9.4568 9.4568 11.0902 11.0902 11.5874 11.5874 12.3285 12.3285 12.7217 12.7217 k = 0.0000 0.0000 0.2854 ( 3650 PWs) bands (ev): -4.4620 -4.4620 -4.2760 -4.2760 0.4465 0.4465 0.4876 0.4876 3.8305 3.8305 4.0398 4.0398 5.4805 5.4805 5.6302 5.6302 6.3648 6.3648 6.4072 6.4072 7.4538 7.4538 7.7971 7.7971 8.0592 8.0592 8.1332 8.1332 8.5848 8.5848 8.5983 8.5983 8.9420 8.9420 8.9780 8.9780 9.2720 9.2720 9.4206 9.4206 11.1637 11.1637 11.4968 11.4968 12.3888 12.3888 12.6542 12.6542 k = 0.0000 0.0000 0.2969 ( 3648 PWs) bands (ev): -4.4167 -4.4167 -4.3236 -4.3236 0.4576 0.4576 0.4783 0.4783 3.8786 3.8786 3.9833 3.9833 5.5197 5.5197 5.5946 5.5946 6.3753 6.3753 6.3965 6.3965 7.5413 7.5413 7.7137 7.7137 8.0767 8.0767 8.1138 8.1138 8.5904 8.5904 8.5973 8.5973 8.9519 8.9519 8.9701 8.9701 9.3094 9.3094 9.3839 9.3839 11.2414 11.2414 11.4084 11.4084 12.4528 12.4528 12.5864 12.5864 k = 0.0000 0.0000 0.3083 ( 3640 PWs) bands (ev): -4.3705 -4.3705 -4.3705 -4.3705 0.4683 0.4683 0.4683 0.4683 3.9296 3.9296 3.9296 3.9296 5.5578 5.5578 5.5578 5.5578 6.3859 6.3859 6.3859 6.3859 7.6281 7.6281 7.6281 7.6281 8.0950 8.0950 8.0950 8.0950 8.5946 8.5946 8.5946 8.5946 8.9614 8.9614 8.9614 8.9614 9.3468 9.3468 9.3468 9.3468 11.3231 11.3231 11.3231 11.3231 12.5190 12.5190 12.5190 12.5190 k = 0.0000 0.0000 0.3083 ( 3640 PWs) bands (ev): -4.3705 -4.3705 -4.3705 -4.3705 0.4683 0.4683 0.4683 0.4683 3.9296 3.9296 3.9296 3.9296 5.5578 5.5578 5.5578 5.5578 6.3859 6.3859 6.3859 6.3859 7.6281 7.6281 7.6281 7.6281 8.0950 8.0950 8.0950 8.0950 8.5946 8.5946 8.5946 8.5946 8.9614 8.9614 8.9614 8.9614 9.3468 9.3468 9.3468 9.3468 11.3231 11.3231 11.3231 11.3231 12.5190 12.5190 12.5190 12.5190 k = 0.0114-0.0000 0.3083 ( 3648 PWs) bands (ev): -4.3698 -4.3698 -4.3697 -4.3697 0.4685 0.4685 0.4688 0.4688 3.9300 3.9300 3.9310 3.9310 5.5568 5.5568 5.5590 5.5590 6.3839 6.3839 6.3844 6.3844 7.6244 7.6244 7.6286 7.6286 8.0840 8.0840 8.0989 8.0989 8.5909 8.5909 8.5984 8.5984 8.9567 8.9567 8.9650 8.9650 9.3416 9.3416 9.3547 9.3547 11.3248 11.3248 11.3279 11.3279 12.5122 12.5122 12.5249 12.5249 k = 0.0227-0.0000 0.3083 ( 3656 PWs) bands (ev): -4.3677 -4.3677 -4.3675 -4.3675 0.4694 0.4694 0.4700 0.4700 3.9322 3.9322 3.9343 3.9343 5.5560 5.5560 5.5605 5.5605 6.3786 6.3786 6.3797 6.3797 7.6173 7.6173 7.6257 7.6257 8.0666 8.0666 8.0958 8.0958 8.5873 8.5873 8.6019 8.6019 8.9514 8.9514 8.9676 8.9676 9.3394 9.3394 9.3650 9.3650 11.3329 11.3329 11.3390 11.3390 12.5042 12.5042 12.5303 12.5303 k = 0.0341-0.0000 0.3083 ( 3662 PWs) bands (ev): -4.3640 -4.3640 -4.3637 -4.3637 0.4710 0.4710 0.4720 0.4720 3.9363 3.9363 3.9395 3.9395 5.5554 5.5554 5.5623 5.5623 6.3702 6.3702 6.3717 6.3717 7.6063 7.6063 7.6190 7.6190 8.0444 8.0444 8.0867 8.0867 8.5841 8.5841 8.6047 8.6047 8.9458 8.9458 8.9689 8.9689 9.3399 9.3399 9.3770 9.3770 11.3471 11.3471 11.3559 11.3559 12.4945 12.4945 12.5351 12.5351 k = 0.0455-0.0000 0.3083 ( 3660 PWs) bands (ev): -4.3588 -4.3588 -4.3584 -4.3584 0.4733 0.4733 0.4747 0.4747 3.9422 3.9422 3.9466 3.9466 5.5548 5.5548 5.5641 5.5641 6.3586 6.3586 6.3604 6.3604 7.5910 7.5910 7.6076 7.6076 8.0195 8.0195 8.0732 8.0732 8.5809 8.5809 8.6064 8.6064 8.9402 8.9402 8.9692 8.9692 9.3430 9.3430 9.3900 9.3900 11.3668 11.3668 11.3783 11.3783 12.4822 12.4822 12.5394 12.5394 k = 0.0568-0.0000 0.3083 ( 3664 PWs) bands (ev): -4.3522 -4.3522 -4.3517 -4.3517 0.4764 0.4764 0.4780 0.4780 3.9499 3.9499 3.9555 3.9555 5.5541 5.5541 5.5659 5.5659 6.3439 6.3439 6.3461 6.3461 7.5705 7.5705 7.5907 7.5907 7.9943 7.9943 8.0575 8.0575 8.5774 8.5774 8.6067 8.6067 8.9346 8.9346 8.9684 8.9684 9.3479 9.3479 9.4034 9.4034 11.3913 11.3913 11.4052 11.4052 12.4665 12.4665 12.5431 12.5431 k = 0.0682-0.0000 0.3083 ( 3668 PWs) bands (ev): -4.3441 -4.3441 -4.3435 -4.3435 0.4800 0.4800 0.4820 0.4820 3.9594 3.9594 3.9662 3.9662 5.5529 5.5529 5.5675 5.5675 6.3262 6.3262 6.3289 6.3289 7.5443 7.5443 7.5673 7.5673 7.9710 7.9710 8.0416 8.0416 8.5734 8.5734 8.6054 8.6054 8.9293 8.9293 8.9667 8.9667 9.3540 9.3540 9.4164 9.4164 11.4194 11.4194 11.4357 11.4357 12.4459 12.4459 12.5457 12.5457 k = 0.0795-0.0000 0.3083 ( 3668 PWs) bands (ev): -4.3347 -4.3347 -4.3340 -4.3340 0.4844 0.4844 0.4867 0.4867 3.9705 3.9705 3.9786 3.9786 5.5509 5.5509 5.5685 5.5685 6.3057 6.3057 6.3092 6.3092 7.5123 7.5123 7.5371 7.5371 7.9515 7.9515 8.0271 8.0271 8.5687 8.5687 8.6025 8.6025 8.9241 8.9241 8.9644 8.9644 9.3609 9.3609 9.4288 9.4288 11.4501 11.4501 11.4690 11.4690 12.4189 12.4189 12.5465 12.5465 k = 0.0909-0.0000 0.3083 ( 3664 PWs) bands (ev): -4.3238 -4.3238 -4.3230 -4.3230 0.4893 0.4893 0.4919 0.4919 3.9833 3.9833 3.9927 3.9927 5.5479 5.5479 5.5685 5.5685 6.2825 6.2825 6.2874 6.2874 7.4749 7.4749 7.5005 7.5005 7.9366 7.9366 8.0153 8.0153 8.5631 8.5631 8.5982 8.5982 8.9191 8.9191 8.9613 8.9613 9.3678 9.3678 9.4400 9.4400 11.4817 11.4817 11.5038 11.5038 12.3836 12.3836 12.5438 12.5438 k = 0.1023-0.0000 0.3083 ( 3668 PWs) bands (ev): -4.3116 -4.3116 -4.3107 -4.3107 0.4948 0.4948 0.4978 0.4978 3.9975 3.9975 4.0085 4.0085 5.5431 5.5431 5.5672 5.5672 6.2571 6.2571 6.2640 6.2640 7.4329 7.4329 7.4587 7.4587 7.9263 7.9263 8.0064 8.0064 8.5565 8.5565 8.5925 8.5925 8.9140 8.9140 8.9577 8.9577 9.3744 9.3744 9.4498 9.4498 11.5127 11.5127 11.5390 11.5390 12.3385 12.3385 12.5339 12.5339 k = 0.1136-0.0000 0.3083 ( 3664 PWs) bands (ev): -4.2980 -4.2980 -4.2970 -4.2970 0.5009 0.5009 0.5041 0.5041 4.0133 4.0133 4.0259 4.0259 5.5362 5.5362 5.5639 5.5639 6.2301 6.2301 6.2395 6.2395 7.3875 7.3875 7.4132 7.4132 7.9201 7.9201 8.0006 8.0006 8.5492 8.5492 8.5856 8.5856 8.9087 8.9087 8.9534 8.9534 9.3803 9.3803 9.4582 9.4582 11.5411 11.5411 11.5730 11.5730 12.2832 12.2832 12.5094 12.5094 k = 0.1250-0.0000 0.3083 ( 3664 PWs) bands (ev): -4.2832 -4.2832 -4.2821 -4.2821 0.5074 0.5074 0.5110 0.5110 4.0303 4.0303 4.0447 4.0447 5.5263 5.5263 5.5578 5.5578 6.2023 6.2023 6.2146 6.2146 7.3400 7.3400 7.3655 7.3655 7.9172 7.9172 7.9974 7.9974 8.5410 8.5410 8.5776 8.5776 8.9030 8.9030 8.9483 8.9483 9.3853 9.3853 9.4649 9.4649 11.5642 11.5642 11.6041 11.6041 12.2187 12.2187 12.4613 12.4613 k = 0.1364-0.0000 0.3083 ( 3664 PWs) bands (ev): -4.2672 -4.2672 -4.2660 -4.2660 0.5144 0.5144 0.5183 0.5183 4.0486 4.0486 4.0650 4.0650 5.5128 5.5128 5.5483 5.5483 6.1744 6.1744 6.1902 6.1902 7.2919 7.2919 7.3174 7.3174 7.9168 7.9168 7.9964 7.9964 8.5322 8.5322 8.5689 8.5689 8.8968 8.8968 8.9425 8.9425 9.3891 9.3891 9.4698 9.4698 11.5791 11.5791 11.6296 11.6296 12.1482 12.1482 12.3919 12.3919 k = 0.1477-0.0000 0.3083 ( 3660 PWs) bands (ev): -4.2500 -4.2500 -4.2487 -4.2487 0.5218 0.5218 0.5260 0.5260 4.0678 4.0678 4.0864 4.0864 5.4949 5.4949 5.5344 5.5344 6.1477 6.1477 6.1670 6.1670 7.2443 7.2443 7.2699 7.2699 7.9181 7.9181 7.9971 7.9971 8.5227 8.5227 8.5594 8.5594 8.8899 8.8899 8.9359 8.9359 9.3916 9.3916 9.4731 9.4731 11.5816 11.5816 11.6457 11.6457 12.0772 12.0772 12.3155 12.3155 k = 0.1591-0.0000 0.3083 ( 3656 PWs) bands (ev): -4.2316 -4.2316 -4.2303 -4.2303 0.5296 0.5296 0.5340 0.5340 4.0879 4.0879 4.1089 4.1089 5.4721 5.4721 5.5154 5.5154 6.1232 6.1232 6.1460 6.1460 7.1983 7.1983 7.2241 7.2241 7.9207 7.9207 7.9989 7.9989 8.5128 8.5128 8.5493 8.5493 8.8823 8.8823 8.9285 8.9285 9.3928 9.3928 9.4747 9.4747 11.5675 11.5675 11.6460 11.6460 12.0135 12.0135 12.2447 12.2447 k = 0.1705-0.0000 0.3083 ( 3650 PWs) bands (ev): -4.2123 -4.2123 -4.2109 -4.2109 0.5376 0.5376 0.5423 0.5423 4.1085 4.1085 4.1323 4.1323 5.4440 5.4440 5.4908 5.4908 6.1019 6.1019 6.1279 6.1279 7.1545 7.1545 7.1807 7.1807 7.9240 7.9240 8.0015 8.0015 8.5025 8.5025 8.5388 8.5388 8.8739 8.8739 8.9201 8.9201 9.3925 9.3925 9.4745 9.4745 11.5333 11.5333 11.6224 11.6224 11.9662 11.9662 12.1873 12.1873 k = 0.1818-0.0000 0.3083 ( 3648 PWs) bands (ev): -4.1919 -4.1919 -4.1904 -4.1904 0.5459 0.5459 0.5508 0.5508 4.1295 4.1295 4.1564 4.1564 5.4105 5.4105 5.4605 5.4605 6.0845 6.0845 6.1131 6.1131 7.1135 7.1135 7.1402 7.1402 7.9275 7.9275 8.0044 8.0044 8.4918 8.4918 8.5279 8.5279 8.8645 8.8645 8.9108 8.9108 9.3906 9.3906 9.4726 9.4726 11.4788 11.4788 11.5715 11.5715 11.9398 11.9398 12.1462 12.1462 k = 0.1932-0.0000 0.3083 ( 3650 PWs) bands (ev): -4.1707 -4.1707 -4.1691 -4.1691 0.5543 0.5543 0.5595 0.5595 4.1504 4.1504 4.1807 4.1807 5.3719 5.3719 5.4250 5.4250 6.0713 6.0713 6.1019 6.1019 7.0757 7.0757 7.1029 7.1029 7.9311 7.9311 8.0075 8.0075 8.4809 8.4809 8.5167 8.5167 8.8541 8.8541 8.9005 8.9005 9.3871 9.3871 9.4689 9.4689 11.4075 11.4075 11.4982 11.4982 11.9295 11.9295 12.1193 12.1193 k = 0.2045-0.0000 0.3083 ( 3644 PWs) bands (ev): -4.1487 -4.1487 -4.1470 -4.1470 0.5629 0.5629 0.5682 0.5682 4.1707 4.1707 4.2049 4.2049 5.3292 5.3292 5.3851 5.3851 6.0622 6.0622 6.0942 6.0942 7.0412 7.0412 7.0689 7.0689 7.9344 7.9344 8.0103 8.0103 8.4698 8.4698 8.5053 8.5053 8.8427 8.8427 8.8892 8.8892 9.3819 9.3819 9.4635 9.4635 11.3247 11.3247 11.4113 11.4113 11.9274 11.9274 12.1022 12.1022 k = 0.2159-0.0000 0.3083 ( 3652 PWs) bands (ev): -4.1259 -4.1259 -4.1241 -4.1241 0.5714 0.5714 0.5770 0.5770 4.1901 4.1901 4.2286 4.2286 5.2832 5.2832 5.3422 5.3422 6.0568 6.0568 6.0896 6.0896 7.0101 7.0101 7.0384 7.0384 7.9373 7.9373 8.0129 8.0129 8.4585 8.4585 8.4937 8.4937 8.8303 8.8303 8.8769 8.8769 9.3750 9.3750 9.4562 9.4562 11.2351 11.2351 11.3173 11.3173 11.9278 11.9278 12.0904 12.0904 k = 0.2273-0.0000 0.3083 ( 3652 PWs) bands (ev): -4.1025 -4.1025 -4.1007 -4.1007 0.5800 0.5800 0.5857 0.5857 4.2078 4.2078 4.2511 4.2511 5.2356 5.2356 5.2979 5.2979 6.0544 6.0544 6.0878 6.0878 6.9825 6.9825 7.0113 7.0113 7.9397 7.9397 8.0149 8.0149 8.4471 8.4471 8.4819 8.4819 8.8170 8.8170 8.8637 8.8637 9.3664 9.3664 9.4472 9.4472 11.1425 11.1425 11.2206 11.2206 11.9278 11.9278 12.0804 12.0804 k = 0.2386-0.0000 0.3083 ( 3648 PWs) bands (ev): -4.0785 -4.0785 -4.0766 -4.0766 0.5884 0.5884 0.5943 0.5943 4.2231 4.2231 4.2716 4.2716 5.1879 5.1879 5.2540 5.2540 6.0545 6.0545 6.0881 6.0881 6.9583 6.9583 6.9875 6.9875 7.9413 7.9413 8.0164 8.0164 8.4357 8.4357 8.4700 8.4700 8.8026 8.8026 8.8496 8.8496 9.3560 9.3560 9.4364 9.4364 11.0493 11.0493 11.1238 11.1238 11.9257 11.9257 12.0703 12.0703 k = 0.2500-0.0000 0.3083 ( 3660 PWs) bands (ev): -4.0541 -4.0541 -4.0522 -4.0522 0.5966 0.5966 0.6027 0.6027 4.2352 4.2352 4.2891 4.2891 5.1419 5.1419 5.2123 5.2123 6.0563 6.0563 6.0901 6.0901 6.9372 6.9372 6.9668 6.9668 7.9423 7.9423 8.0173 8.0173 8.4242 8.4242 8.4580 8.4580 8.7873 8.7873 8.8345 8.8345 9.3439 9.3439 9.4238 9.4238 10.9572 10.9572 11.0283 11.0283 11.9209 11.9209 12.0586 12.0586 k = 0.2614-0.0000 0.3083 ( 3656 PWs) bands (ev): -4.0294 -4.0294 -4.0274 -4.0274 0.6047 0.6047 0.6108 0.6108 4.2431 4.2431 4.3025 4.3025 5.0996 5.0996 5.1745 5.1745 6.0593 6.0593 6.0932 6.0932 6.9192 6.9192 6.9491 6.9491 7.9425 7.9425 8.0177 8.0177 8.4128 8.4128 8.4459 8.4459 8.7711 8.7711 8.8187 8.8187 9.3299 9.3299 9.4094 9.4094 10.8674 10.8674 10.9356 10.9356 11.9132 11.9132 12.0450 12.0450 k = 0.2727-0.0000 0.3083 ( 3656 PWs) bands (ev): -4.0045 -4.0045 -4.0025 -4.0025 0.6124 0.6124 0.6186 0.6186 4.2460 4.2460 4.3104 4.3104 5.0630 5.0630 5.1423 5.1423 6.0629 6.0629 6.0970 6.0970 6.9041 6.9041 6.9342 6.9342 7.9420 7.9420 8.0175 8.0175 8.4014 8.4014 8.4338 8.4338 8.7540 8.7540 8.8020 8.8020 9.3143 9.3143 9.3933 9.3933 10.7808 10.7808 10.8463 10.8463 11.9028 11.9028 12.0293 12.0293 k = 0.2841-0.0000 0.3083 ( 3662 PWs) bands (ev): -3.9796 -3.9796 -3.9775 -3.9775 0.6198 0.6198 0.6261 0.6261 4.2432 4.2432 4.3116 4.3116 5.0340 5.0340 5.1168 5.1168 6.0668 6.0668 6.1010 6.1010 6.8915 6.8915 6.9218 6.9218 7.9410 7.9410 8.0169 8.0169 8.3901 8.3901 8.4216 8.4216 8.7361 8.7361 8.7845 8.7845 9.2969 9.2969 9.3754 9.3754 10.6979 10.6979 10.7611 10.7611 11.8898 11.8898 12.0115 12.0115 k = 0.2955-0.0000 0.3083 ( 3658 PWs) bands (ev): -3.9546 -3.9546 -3.9525 -3.9525 0.6268 0.6268 0.6331 0.6331 4.2343 4.2343 4.3053 4.3053 5.0139 5.0139 5.0991 5.0991 6.0706 6.0706 6.1050 6.1050 6.8813 6.8813 6.9117 6.9117 7.9396 7.9396 8.0160 8.0160 8.3790 8.3790 8.4095 8.4095 8.7175 8.7175 8.7662 8.7662 9.2779 9.2779 9.3558 9.3558 10.6193 10.6193 10.6803 10.6803 11.8748 11.8748 11.9920 11.9920 k = 0.3068-0.0000 0.3083 ( 3652 PWs) bands (ev): -3.9299 -3.9299 -3.9277 -3.9277 0.6333 0.6333 0.6396 0.6396 4.2194 4.2194 4.2912 4.2912 5.0035 5.0035 5.0895 5.0895 6.0740 6.0740 6.1087 6.1087 6.8732 6.8732 6.9034 6.9034 7.9379 7.9379 8.0151 8.0151 8.3682 8.3682 8.3975 8.3975 8.6983 8.6983 8.7474 8.7474 9.2575 9.2575 9.3348 9.3348 10.5452 10.5452 10.6042 10.6042 11.8581 11.8581 11.9711 11.9711 k = 0.3182-0.0000 0.3083 ( 3648 PWs) bands (ev): -3.9055 -3.9055 -3.9033 -3.9033 0.6393 0.6393 0.6456 0.6456 4.1990 4.1990 4.2699 4.2699 5.0026 5.0026 5.0877 5.0877 6.0768 6.0768 6.1118 6.1118 6.8667 6.8667 6.8967 6.8967 7.9361 7.9361 8.0142 8.0142 8.3576 8.3576 8.3857 8.3857 8.6785 8.6785 8.7278 8.7278 9.2358 9.2358 9.3123 9.3123 10.4759 10.4759 10.5330 10.5330 11.8401 11.8401 11.9493 11.9493 k = 0.3295-0.0000 0.3083 ( 3660 PWs) bands (ev): -3.8816 -3.8816 -3.8794 -3.8794 0.6449 0.6449 0.6511 0.6511 4.1740 4.1740 4.2426 4.2426 5.0101 5.0101 5.0930 5.0930 6.0790 6.0790 6.1142 6.1142 6.8616 6.8616 6.8911 6.8911 7.9347 7.9347 8.0135 8.0135 8.3473 8.3473 8.3740 8.3740 8.6581 8.6581 8.7076 8.7076 9.2128 9.2128 9.2885 9.2885 10.4116 10.4116 10.4668 10.4668 11.8213 11.8213 11.9269 11.9269 k = 0.3409-0.0000 0.3083 ( 3664 PWs) bands (ev): -3.8583 -3.8583 -3.8560 -3.8560 0.6499 0.6499 0.6559 0.6559 4.1455 4.1455 4.2109 4.2109 5.0247 5.0247 5.1044 5.1044 6.0803 6.0803 6.1157 6.1157 6.8575 6.8575 6.8865 6.8865 7.9338 7.9338 8.0134 8.0134 8.3375 8.3375 8.3628 8.3628 8.6373 8.6373 8.6869 8.6869 9.1890 9.1890 9.2636 9.2636 10.3522 10.3522 10.4057 10.4057 11.8022 11.8022 11.9043 11.9043 k = 0.3523-0.0000 0.3083 ( 3668 PWs) bands (ev): -3.8358 -3.8358 -3.8334 -3.8334 0.6544 0.6544 0.6602 0.6602 4.1148 4.1148 4.1764 4.1764 5.0449 5.0449 5.1209 5.1209 6.0807 6.0807 6.1163 6.1163 6.8541 6.8541 6.8823 6.8823 7.9337 7.9337 8.0140 8.0140 8.3282 8.3282 8.3521 8.3521 8.6161 8.6161 8.6657 8.6657 9.1647 9.1647 9.2378 9.2378 10.2978 10.2978 10.3496 10.3496 11.7830 11.7830 11.8820 11.8820 k = 0.3636-0.0000 0.3083 ( 3650 PWs) bands (ev): -3.8141 -3.8141 -3.8118 -3.8118 0.6583 0.6583 0.6640 0.6640 4.0830 4.0830 4.1406 4.1406 5.0692 5.0692 5.1412 5.1412 6.0804 6.0804 6.1161 6.1161 6.8511 6.8511 6.8784 6.8784 7.9349 7.9349 8.0155 8.0155 8.3196 8.3196 8.3422 8.3422 8.5946 8.5946 8.6441 8.6441 9.1403 9.1403 9.2117 9.2117 10.2484 10.2484 10.2986 10.2986 11.7642 11.7642 11.8602 11.8602 k = 0.3750-0.0000 0.3083 ( 3642 PWs) bands (ev): -3.7935 -3.7935 -3.7912 -3.7912 0.6617 0.6617 0.6672 0.6672 4.0511 4.0511 4.1048 4.1048 5.0963 5.0963 5.1644 5.1644 6.0791 6.0791 6.1149 6.1149 6.8483 6.8483 6.8744 6.8744 7.9374 7.9374 8.0179 8.0179 8.3115 8.3115 8.3333 8.3333 8.5730 8.5730 8.6221 8.6221 9.1160 9.1160 9.1851 9.1851 10.2038 10.2038 10.2523 10.2523 11.7461 11.7461 11.8393 11.8393 k = 0.3864-0.0000 0.3083 ( 3634 PWs) bands (ev): -3.7742 -3.7742 -3.7718 -3.7718 0.6647 0.6647 0.6698 0.6698 4.0199 4.0199 4.0699 4.0699 5.1251 5.1251 5.1894 5.1894 6.0771 6.0771 6.1129 6.1129 6.8455 6.8455 6.8701 6.8701 7.9415 7.9415 8.0215 8.0215 8.3042 8.3042 8.3254 8.3254 8.5512 8.5512 8.5998 8.5998 9.0923 9.0923 9.1586 9.1586 10.1638 10.1638 10.2109 10.2109 11.7288 11.7288 11.8195 11.8195 k = 0.3977-0.0000 0.3083 ( 3638 PWs) bands (ev): -3.7561 -3.7561 -3.7538 -3.7538 0.6672 0.6672 0.6720 0.6720 3.9901 3.9901 4.0368 4.0368 5.1546 5.1546 5.2152 5.2152 6.0742 6.0742 6.1101 6.1101 6.8425 6.8425 6.8655 6.8655 7.9471 7.9471 8.0261 8.0261 8.2975 8.2975 8.3189 8.3189 8.5294 8.5294 8.5773 8.5773 9.0696 9.0696 9.1324 9.1324 10.1283 10.1283 10.1739 10.1739 11.7127 11.7127 11.8010 11.8010 k = 0.4091-0.0000 0.3083 ( 3638 PWs) bands (ev): -3.7396 -3.7396 -3.7372 -3.7372 0.6692 0.6692 0.6737 0.6737 3.9624 3.9624 4.0059 4.0059 5.1839 5.1839 5.2411 5.2411 6.0708 6.0708 6.1067 6.1067 6.8394 6.8394 6.8606 6.8606 7.9542 7.9542 8.0317 8.0317 8.2918 8.2918 8.3140 8.3140 8.5077 8.5077 8.5548 8.5548 9.0483 9.0483 9.1069 9.1069 10.0972 10.0972 10.1414 10.1414 11.6979 11.6979 11.7841 11.7841 k = 0.4205-0.0000 0.3083 ( 3634 PWs) bands (ev): -3.7246 -3.7246 -3.7222 -3.7222 0.6709 0.6709 0.6750 0.6750 3.9372 3.9372 3.9779 3.9779 5.2123 5.2123 5.2662 5.2662 6.0668 6.0668 6.1028 6.1028 6.8362 6.8362 6.8554 6.8554 7.9627 7.9627 8.0380 8.0380 8.2872 8.2872 8.3107 8.3107 8.4865 8.4865 8.5323 8.5323 9.0289 9.0289 9.0826 9.0826 10.0702 10.0702 10.1131 10.1131 11.6846 11.6846 11.7688 11.7688 k = 0.4318-0.0000 0.3083 ( 3626 PWs) bands (ev): -3.7114 -3.7114 -3.7090 -3.7090 0.6722 0.6722 0.6760 0.6760 3.9147 3.9147 3.9530 3.9530 5.2390 5.2390 5.2899 5.2899 6.0625 6.0625 6.0988 6.0988 6.8330 6.8330 6.8500 6.8500 7.9721 7.9721 8.0446 8.0446 8.2839 8.2839 8.3090 8.3090 8.4661 8.4661 8.5102 8.5102 9.0118 9.0118 9.0598 9.0598 10.0473 10.0473 10.0890 10.0890 11.6729 11.6729 11.7554 11.7554 k = 0.4432-0.0000 0.3083 ( 3622 PWs) bands (ev): -3.7001 -3.7001 -3.6977 -3.6977 0.6733 0.6733 0.6767 0.6767 3.8954 3.8954 3.9316 3.9316 5.2632 5.2632 5.3114 5.3114 6.0581 6.0581 6.0946 6.0946 6.8300 6.8300 6.8447 6.8447 7.9820 7.9820 8.0512 8.0512 8.2821 8.2821 8.3089 8.3089 8.4469 8.4469 8.4887 8.4887 8.9973 8.9973 9.0388 9.0388 10.0281 10.0281 10.0689 10.0689 11.6628 11.6628 11.7439 11.7439 k = 0.4545-0.0000 0.3083 ( 3618 PWs) bands (ev): -3.6906 -3.6906 -3.6882 -3.6882 0.6741 0.6741 0.6771 0.6771 3.8793 3.8793 3.9138 3.9138 5.2842 5.2842 5.3300 5.3300 6.0539 6.0539 6.0908 6.0908 6.8273 6.8273 6.8398 6.8398 7.9917 7.9917 8.0572 8.0572 8.2822 8.2822 8.3100 8.3100 8.4297 8.4297 8.4680 8.4680 8.9860 8.9860 9.0202 9.0202 10.0127 10.0127 10.0527 10.0527 11.6545 11.6545 11.7343 11.7343 k = 0.4659-0.0000 0.3083 ( 3612 PWs) bands (ev): -3.6832 -3.6832 -3.6808 -3.6808 0.6748 0.6748 0.6774 0.6774 3.8667 3.8667 3.8998 3.8998 5.3014 5.3014 5.3452 5.3452 6.0502 6.0502 6.0875 6.0875 6.8252 6.8252 6.8354 6.8354 8.0005 8.0005 8.0622 8.0622 8.2841 8.2841 8.3116 8.3116 8.4156 8.4156 8.4487 8.4487 8.9779 8.9779 9.0042 9.0042 10.0008 10.0008 10.0401 10.0401 11.6480 11.6480 11.7269 11.7269 k = 0.4773-0.0000 0.3083 ( 3618 PWs) bands (ev): -3.6778 -3.6778 -3.6754 -3.6754 0.6752 0.6752 0.6775 0.6775 3.8576 3.8576 3.8897 3.8897 5.3141 5.3141 5.3565 5.3565 6.0473 6.0473 6.0849 6.0849 6.8238 6.8238 6.8320 6.8320 8.0076 8.0076 8.0659 8.0659 8.2873 8.2873 8.3127 8.3127 8.4063 8.4063 8.4315 8.4315 8.9732 8.9732 8.9912 8.9912 9.9924 9.9924 10.0312 10.0312 11.6433 11.6433 11.7215 11.7215 k = 0.4886-0.0000 0.3083 ( 3614 PWs) bands (ev): -3.6746 -3.6746 -3.6722 -3.6722 0.6755 0.6755 0.6776 0.6776 3.8522 3.8522 3.8836 3.8836 5.3220 5.3220 5.3634 5.3634 6.0454 6.0454 6.0833 6.0833 6.8230 6.8230 6.8296 6.8296 8.0123 8.0123 8.0681 8.0681 8.2909 8.2909 8.3126 8.3126 8.4034 8.4034 8.4173 8.4173 8.9722 8.9722 8.9814 8.9814 9.9874 9.9874 10.0259 10.0259 11.6405 11.6405 11.7183 11.7183 k = 0.5000-0.0000 0.3083 ( 3612 PWs) bands (ev): -3.6735 -3.6735 -3.6711 -3.6711 0.6755 0.6755 0.6776 0.6776 3.8503 3.8503 3.8816 3.8816 5.3246 5.3246 5.3657 5.3657 6.0448 6.0448 6.0827 6.0827 6.8227 6.8227 6.8288 6.8288 8.0139 8.0139 8.0688 8.0688 8.2927 8.2927 8.3122 8.3122 8.4067 8.4067 8.4081 8.4081 8.9741 8.9741 8.9760 8.9760 9.9857 9.9857 10.0242 10.0242 11.6395 11.6395 11.7172 11.7172 k = 0.5000-0.0000 0.3083 ( 3612 PWs) bands (ev): -3.6735 -3.6735 -3.6711 -3.6711 0.6755 0.6755 0.6776 0.6776 3.8503 3.8503 3.8816 3.8816 5.3246 5.3246 5.3657 5.3657 6.0448 6.0448 6.0827 6.0827 6.8227 6.8227 6.8288 6.8288 8.0139 8.0139 8.0688 8.0688 8.2927 8.2927 8.3122 8.3122 8.4067 8.4067 8.4081 8.4081 8.9741 8.9741 8.9760 8.9760 9.9857 9.9857 10.0242 10.0242 11.6395 11.6395 11.7172 11.7172 k = 0.5000 0.0112 0.3083 ( 3612 PWs) bands (ev): -3.6732 -3.6732 -3.6707 -3.6707 0.6756 0.6756 0.6777 0.6777 3.8444 3.8444 3.8776 3.8776 5.3305 5.3305 5.3712 5.3712 6.0407 6.0407 6.0814 6.0814 6.8177 6.8177 6.8286 6.8286 8.0149 8.0149 8.0704 8.0704 8.2943 8.2943 8.3138 8.3138 8.4062 8.4062 8.4100 8.4100 8.9741 8.9741 8.9762 8.9762 9.9875 9.9875 10.0259 10.0259 11.6436 11.6436 11.7216 11.7216 k = 0.5000 0.0224 0.3083 ( 3624 PWs) bands (ev): -3.6721 -3.6721 -3.6696 -3.6696 0.6759 0.6759 0.6779 0.6779 3.8274 3.8274 3.8653 3.8653 5.3477 5.3477 5.3870 5.3870 6.0288 6.0288 6.0774 6.0774 6.8064 6.8064 6.8249 6.8249 8.0177 8.0177 8.0750 8.0750 8.2992 8.2992 8.3186 8.3186 8.4064 8.4064 8.4135 8.4135 8.9740 8.9740 8.9766 8.9766 9.9929 9.9929 10.0312 10.0312 11.6557 11.6557 11.7349 11.7349 k = 0.5000 0.0337 0.3083 ( 3628 PWs) bands (ev): -3.6704 -3.6704 -3.6678 -3.6678 0.6763 0.6763 0.6783 0.6783 3.8010 3.8010 3.8450 3.8450 5.3749 5.3749 5.4115 5.4115 6.0102 6.0102 6.0705 6.0705 6.7913 6.7913 6.8167 6.8167 8.0224 8.0224 8.0816 8.0816 8.3073 8.3073 8.3266 8.3266 8.4080 8.4080 8.4184 8.4184 8.9739 8.9739 8.9772 8.9772 10.0019 10.0019 10.0401 10.0401 11.6756 11.6756 11.7569 11.7569 k = 0.5000 0.0449 0.3083 ( 3632 PWs) bands (ev): -3.6680 -3.6680 -3.6653 -3.6653 0.6769 0.6769 0.6789 0.6789 3.7672 3.7672 3.8175 3.8175 5.4100 5.4100 5.4422 5.4422 5.9859 5.9859 6.0613 6.0613 6.7737 6.7737 6.8047 6.8047 8.0284 8.0284 8.0893 8.0893 8.3181 8.3181 8.3377 8.3377 8.4112 8.4112 8.4248 8.4248 8.9740 8.9740 8.9780 8.9780 10.0146 10.0146 10.0525 10.0525 11.7032 11.7032 11.7872 11.7872 k = 0.5000 0.0561 0.3083 ( 3636 PWs) bands (ev): -3.6649 -3.6649 -3.6621 -3.6621 0.6775 0.6775 0.6795 0.6795 3.7277 3.7277 3.7840 3.7840 5.4496 5.4496 5.4756 5.4756 5.9580 5.9580 6.0513 6.0513 6.7550 6.7550 6.7902 6.7902 8.0353 8.0353 8.0970 8.0970 8.3312 8.3312 8.3513 8.3513 8.4161 8.4161 8.4328 8.4328 8.9740 8.9740 8.9788 8.9788 10.0308 10.0308 10.0684 10.0684 11.7380 11.7380 11.8254 11.8254 k = 0.5000 0.0673 0.3083 ( 3636 PWs) bands (ev): -3.6611 -3.6611 -3.6582 -3.6582 0.6782 0.6782 0.6801 0.6801 3.6844 3.6844 3.7460 3.7460 5.4883 5.4883 5.5076 5.5076 5.9297 5.9297 6.0432 6.0432 6.7364 6.7364 6.7746 6.7746 8.0425 8.0425 8.1044 8.1044 8.3455 8.3455 8.3669 8.3669 8.4231 8.4231 8.4429 8.4429 8.9742 8.9742 8.9798 8.9798 10.0505 10.0505 10.0878 10.0878 11.7795 11.7795 11.8710 11.8710 k = 0.5000 0.0785 0.3083 ( 3644 PWs) bands (ev): -3.6568 -3.6568 -3.6537 -3.6537 0.6789 0.6789 0.6807 0.6807 3.6387 3.6387 3.7049 3.7049 5.5174 5.5174 5.5339 5.5339 5.9074 5.9074 6.0412 6.0412 6.7186 6.7186 6.7592 6.7592 8.0494 8.0494 8.1111 8.1111 8.3601 8.3601 8.3834 8.3834 8.4324 8.4324 8.4556 8.4556 8.9744 8.9744 8.9808 8.9808 10.0738 10.0738 10.1108 10.1108 11.8270 11.8270 11.9232 11.9232 k = 0.5000 0.0897 0.3083 ( 3632 PWs) bands (ev): -3.6518 -3.6518 -3.6486 -3.6486 0.6794 0.6794 0.6812 0.6812 3.5921 3.5921 3.6622 3.6622 5.5285 5.5285 5.5462 5.5462 5.9010 5.9010 6.0498 6.0498 6.7025 6.7025 6.7454 6.7454 8.0557 8.0557 8.1170 8.1170 8.3739 8.3739 8.3999 8.3999 8.4443 8.4443 8.4717 8.4717 8.9746 8.9746 8.9818 8.9818 10.1006 10.1006 10.1374 10.1374 11.8796 11.8796 11.9810 11.9810 k = 0.5000 0.1010 0.3083 ( 3636 PWs) bands (ev): -3.6463 -3.6463 -3.6430 -3.6430 0.6797 0.6797 0.6815 0.6815 3.5455 3.5455 3.6190 3.6190 5.5188 5.5188 5.5343 5.5343 5.9184 5.9184 6.0720 6.0720 6.6883 6.6883 6.7341 6.7341 8.0612 8.0612 8.1222 8.1222 8.3859 8.3859 8.4151 8.4151 8.4593 8.4593 8.4910 8.4910 8.9748 8.9748 8.9827 8.9827 10.1308 10.1308 10.1674 10.1674 11.9365 11.9365 12.0434 12.0434 k = 0.5000 0.1122 0.3083 ( 3632 PWs) bands (ev): -3.6403 -3.6403 -3.6368 -3.6368 0.6798 0.6798 0.6815 0.6815 3.5001 3.5001 3.5764 3.5764 5.4869 5.4869 5.5004 5.5004 5.9583 5.9583 6.1074 6.1074 6.6765 6.6765 6.7260 6.7260 8.0660 8.0660 8.1268 8.1268 8.3959 8.3959 8.4285 8.4285 8.4777 8.4777 8.5133 8.5133 8.9751 8.9751 8.9837 8.9837 10.1644 10.1644 10.2008 10.2008 11.9963 11.9963 12.1091 12.1091 k = 0.5000 0.1234 0.3083 ( 3636 PWs) bands (ev): -3.6338 -3.6338 -3.6302 -3.6302 0.6795 0.6795 0.6812 0.6812 3.4566 3.4566 3.5352 3.5352 5.4332 5.4332 5.4537 5.4537 6.0128 6.0128 6.1528 6.1528 6.6673 6.6673 6.7219 6.7219 8.0701 8.0701 8.1308 8.1308 8.4043 8.4043 8.4397 8.4397 8.4991 8.4991 8.5373 8.5373 8.9752 8.9752 8.9846 8.9846 10.2013 10.2013 10.2378 10.2378 12.0577 12.0577 12.1765 12.1765 k = 0.5000 0.1346 0.3083 ( 3632 PWs) bands (ev): -3.6269 -3.6269 -3.6231 -3.6231 0.6787 0.6787 0.6804 0.6804 3.4158 3.4158 3.4964 3.4964 5.3655 5.3655 5.3965 5.3965 6.0745 6.0745 6.2042 6.2042 6.6613 6.6613 6.7225 6.7225 8.0736 8.0736 8.1343 8.1343 8.4114 8.4114 8.4490 8.4490 8.5228 8.5228 8.5625 8.5625 8.9754 8.9754 8.9854 8.9854 10.2416 10.2416 10.2781 10.2781 12.1190 12.1190 12.2439 12.2439 k = 0.5000 0.1458 0.3083 ( 3628 PWs) bands (ev): -3.6196 -3.6196 -3.6158 -3.6158 0.6775 0.6775 0.6791 0.6791 3.3782 3.3782 3.4604 3.4604 5.2895 5.2895 5.3306 5.3306 6.1386 6.1386 6.2578 6.2578 6.6589 6.6589 6.7285 6.7285 8.0766 8.0766 8.1375 8.1375 8.4174 8.4174 8.4568 8.4568 8.5479 8.5479 8.5884 8.5884 8.9754 8.9754 8.9862 8.9862 10.2850 10.2850 10.3219 10.3219 12.1786 12.1786 12.3091 12.3091 k = 0.5000 0.1571 0.3083 ( 3632 PWs) bands (ev): -3.6120 -3.6120 -3.6081 -3.6081 0.6757 0.6757 0.6772 0.6772 3.3443 3.3443 3.4279 3.4279 5.2083 5.2083 5.2579 5.2579 6.2014 6.2014 6.3100 6.3100 6.6612 6.6612 6.7410 6.7410 8.0794 8.0794 8.1404 8.1404 8.4223 8.4223 8.4633 8.4633 8.5740 8.5740 8.6145 8.6145 8.9754 8.9754 8.9867 8.9867 10.3316 10.3316 10.3689 10.3689 12.2346 12.2346 12.3699 12.3699 k = 0.5000 0.1683 0.3083 ( 3644 PWs) bands (ev): -3.6041 -3.6041 -3.6002 -3.6002 0.6732 0.6732 0.6747 0.6747 3.3146 3.3146 3.3993 3.3993 5.1234 5.1234 5.1802 5.1802 6.2600 6.2600 6.3579 6.3579 6.6696 6.6696 6.7606 6.7606 8.0820 8.0820 8.1430 8.1430 8.4262 8.4262 8.4684 8.4684 8.6006 8.6006 8.6408 8.6408 8.9753 8.9753 8.9872 8.9872 10.3813 10.3813 10.4191 10.4191 12.2849 12.2849 12.4239 12.4239 k = 0.5000 0.1795 0.3083 ( 3652 PWs) bands (ev): -3.5961 -3.5961 -3.5921 -3.5921 0.6701 0.6701 0.6716 0.6716 3.2895 3.2895 3.3751 3.3751 5.0362 5.0362 5.0988 5.0988 6.3116 6.3116 6.3991 6.3991 6.6857 6.6857 6.7881 6.7881 8.0847 8.0847 8.1455 8.1455 8.4290 8.4290 8.4723 8.4723 8.6275 8.6275 8.6670 8.6670 8.9752 8.9752 8.9877 8.9877 10.4338 10.4338 10.4725 10.4725 12.3280 12.3280 12.4691 12.4691 k = 0.5000 0.1907 0.3083 ( 3648 PWs) bands (ev): -3.5880 -3.5880 -3.5840 -3.5840 0.6664 0.6664 0.6678 0.6678 3.2691 3.2691 3.3554 3.3554 4.9475 4.9475 5.0150 5.0150 6.3544 6.3544 6.4319 6.4319 6.7114 6.7114 6.8233 6.8233 8.0874 8.0874 8.1481 8.1481 8.4307 8.4307 8.4748 8.4748 8.6545 8.6545 8.6933 8.6933 8.9751 8.9751 8.9881 8.9881 10.4892 10.4892 10.5289 10.5289 12.3623 12.3623 12.5037 12.5037 k = 0.5000 0.2019 0.3083 ( 3644 PWs) bands (ev): -3.5798 -3.5798 -3.5759 -3.5759 0.6620 0.6620 0.6634 0.6634 3.2537 3.2537 3.3406 3.3406 4.8580 4.8580 4.9295 4.9295 6.3880 6.3880 6.4562 6.4562 6.7467 6.7467 6.8648 6.8648 8.0902 8.0902 8.1506 8.1506 8.4313 8.4313 8.4760 8.4760 8.6814 8.6814 8.7194 8.7194 8.9751 8.9751 8.9886 8.9886 10.5473 10.5473 10.5880 10.5880 12.3871 12.3871 12.5268 12.5268 k = 0.5000 0.2131 0.3083 ( 3648 PWs) bands (ev): -3.5717 -3.5717 -3.5678 -3.5678 0.6570 0.6570 0.6584 0.6584 3.2435 3.2435 3.3308 3.3308 4.7683 4.7683 4.8431 4.8431 6.4131 6.4131 6.4729 6.4729 6.7900 6.7900 6.9109 6.9109 8.0933 8.0933 8.1532 8.1532 8.4308 8.4308 8.4757 8.4757 8.7080 8.7080 8.7451 8.7451 8.9751 8.9751 8.9890 8.9890 10.6076 10.6076 10.6497 10.6497 12.4019 12.4019 12.5386 12.5386 k = 0.5000 0.2244 0.3083 ( 3656 PWs) bands (ev): -3.5637 -3.5637 -3.5598 -3.5598 0.6515 0.6515 0.6529 0.6529 3.2386 3.2386 3.3262 3.3262 4.6789 4.6789 4.7563 4.7563 6.4315 6.4315 6.4839 6.4839 6.8386 6.8386 6.9594 6.9594 8.0966 8.0966 8.1559 8.1559 8.4291 8.4291 8.4741 8.4741 8.7340 8.7340 8.7704 8.7704 8.9752 8.9752 8.9896 8.9896 10.6701 10.6701 10.7136 10.7136 12.4073 12.4073 12.5406 12.5406 k = 0.5000 0.2356 0.3083 ( 3648 PWs) bands (ev): -3.5558 -3.5558 -3.5521 -3.5521 0.6456 0.6456 0.6470 0.6470 3.2390 3.2390 3.3267 3.3267 4.5902 4.5902 4.6697 4.6697 6.4449 6.4449 6.4911 6.4911 6.8897 6.8897 7.0088 7.0088 8.1004 8.1004 8.1589 8.1589 8.4264 8.4264 8.4712 8.4712 8.7594 8.7594 8.7949 8.7949 8.9757 8.9757 8.9904 8.9904 10.7345 10.7345 10.7795 10.7795 12.4041 12.4041 12.5347 12.5347 k = 0.5000 0.2468 0.3083 ( 3660 PWs) bands (ev): -3.5483 -3.5483 -3.5446 -3.5446 0.6393 0.6393 0.6408 0.6408 3.2447 3.2447 3.3324 3.3324 4.5025 4.5025 4.5838 4.5838 6.4547 6.4547 6.4956 6.4956 6.9411 6.9411 7.0574 7.0574 8.1045 8.1045 8.1619 8.1619 8.4227 8.4227 8.4669 8.4669 8.7836 8.7836 8.8183 8.8183 8.9764 8.9764 8.9915 8.9915 10.8003 10.8003 10.8468 10.8468 12.3938 12.3938 12.5229 12.5229 k = 0.5000 0.2580 0.3083 ( 3660 PWs) bands (ev): -3.5410 -3.5410 -3.5376 -3.5376 0.6329 0.6329 0.6344 0.6344 3.2556 3.2556 3.3433 3.3433 4.4163 4.4163 4.4989 4.4989 6.4620 6.4620 6.4986 6.4986 6.9912 6.9912 7.1042 7.1042 8.1090 8.1090 8.1653 8.1653 8.4182 8.4182 8.4616 8.4616 8.8065 8.8065 8.8403 8.8403 8.9778 8.9778 8.9930 8.9930 10.8670 10.8670 10.9151 10.9151 12.3778 12.3778 12.5074 12.5074 k = 0.5000 0.2692 0.3083 ( 3672 PWs) bands (ev): -3.5342 -3.5342 -3.5309 -3.5309 0.6264 0.6264 0.6280 0.6280 3.2716 3.2716 3.3590 3.3590 4.3318 4.3318 4.4155 4.4155 6.4673 6.4673 6.5005 6.5005 7.0388 7.0388 7.1482 7.1482 8.1139 8.1139 8.1688 8.1688 8.4130 8.4130 8.4552 8.4552 8.8277 8.8277 8.8603 8.8603 8.9799 8.9799 8.9950 8.9950 10.9342 10.9342 10.9836 10.9836 12.3580 12.3580 12.4898 12.4898 k = 0.5000 0.2805 0.3083 ( 3676 PWs) bands (ev): -3.5279 -3.5279 -3.5248 -3.5248 0.6201 0.6201 0.6217 0.6217 3.2927 3.2927 3.3796 3.3796 4.2495 4.2495 4.3339 4.3339 6.4714 6.4714 6.5017 6.5017 7.0830 7.0830 7.1888 7.1888 8.1192 8.1192 8.1724 8.1724 8.4074 8.4074 8.4480 8.4480 8.8470 8.8470 8.8779 8.8779 8.9829 8.9829 8.9978 8.9978 11.0011 11.0011 11.0515 11.0515 12.3360 12.3360 12.4715 12.4715 k = 0.5000 0.2917 0.3083 ( 3676 PWs) bands (ev): -3.5221 -3.5221 -3.5192 -3.5192 0.6140 0.6140 0.6157 0.6157 3.3184 3.3184 3.4047 3.4047 4.1697 4.1697 4.2545 4.2545 6.4744 6.4744 6.5024 6.5024 7.1233 7.1233 7.2256 7.2256 8.1249 8.1249 8.1760 8.1760 8.4015 8.4015 8.4401 8.4401 8.8640 8.8640 8.8926 8.8926 8.9869 8.9869 9.0015 9.0015 11.0668 11.0668 11.1177 11.1177 12.3135 12.3135 12.4531 12.4531 k = 0.5000 0.3029 0.3083 ( 3676 PWs) bands (ev): -3.5170 -3.5170 -3.5143 -3.5143 0.6084 0.6084 0.6101 0.6101 3.3487 3.3487 3.4339 3.4339 4.0930 4.0930 4.1777 4.1777 6.4767 6.4767 6.5028 6.5028 7.1590 7.1590 7.2581 7.2581 8.1308 8.1308 8.1796 8.1796 8.3958 8.3958 8.4318 8.4318 8.8784 8.8784 8.9042 8.9042 8.9918 8.9918 9.0061 9.0061 11.1304 11.1304 11.1808 11.1808 12.2923 12.2923 12.4352 12.4352 k = 0.5000 0.3141 0.3083 ( 3688 PWs) bands (ev): -3.5125 -3.5125 -3.5100 -3.5100 0.6034 0.6034 0.6051 0.6051 3.3830 3.3830 3.4666 3.4666 4.0199 4.0199 4.1040 4.1040 6.4784 6.4784 6.5031 6.5031 7.1898 7.1898 7.2859 7.2859 8.1368 8.1368 8.1829 8.1829 8.3905 8.3905 8.4233 8.4233 8.8902 8.8902 8.9127 8.9127 8.9971 8.9971 9.0116 9.0116 11.1905 11.1905 11.2390 11.2390 12.2739 12.2739 12.4171 12.4171 k = 0.5000 0.3253 0.3083 ( 3684 PWs) bands (ev): -3.5087 -3.5087 -3.5064 -3.5064 0.5991 0.5991 0.6008 0.6008 3.4208 3.4208 3.5017 3.5017 3.9516 3.9516 4.0341 4.0341 6.4797 6.4797 6.5032 6.5032 7.2155 7.2155 7.3090 7.3090 8.1425 8.1425 8.1857 8.1857 8.3860 8.3860 8.4152 8.4152 8.8994 8.8994 8.9186 8.9186 9.0023 9.0023 9.0176 9.0176 11.2457 11.2457 11.2903 11.2903 12.2601 12.2601 12.3976 12.3976 k = 0.5000 0.3365 0.3083 ( 3680 PWs) bands (ev): -3.5057 -3.5057 -3.5037 -3.5037 0.5956 0.5956 0.5974 0.5974 3.4611 3.4611 3.5371 3.5371 3.8900 3.8900 3.9690 3.9690 6.4807 6.4807 6.5033 6.5033 7.2357 7.2357 7.3272 7.3272 8.1478 8.1478 8.1879 8.1879 8.3827 8.3827 8.4077 8.4077 8.9062 8.9062 8.9225 8.9225 9.0070 9.0070 9.0232 9.0232 11.2940 11.2940 11.3321 11.3321 12.2528 12.2528 12.3745 12.3745 k = 0.5000 0.3478 0.3083 ( 3676 PWs) bands (ev): -3.5036 -3.5036 -3.5016 -3.5016 0.5931 0.5931 0.5948 0.5948 3.5020 3.5020 3.5683 3.5683 3.8395 3.8395 3.9110 3.9110 6.4813 6.4813 6.5033 6.5033 7.2502 7.2502 7.3402 7.3402 8.1521 8.1521 8.1895 8.1895 8.3807 8.3807 8.4014 8.4014 8.9108 8.9108 8.9249 8.9249 9.0106 9.0106 9.0278 9.0278 11.3332 11.3332 11.3619 11.3619 12.2533 12.2533 12.3473 12.3473 k = 0.5000 0.3590 0.3083 ( 3672 PWs) bands (ev): -3.5023 -3.5023 -3.5004 -3.5004 0.5915 0.5915 0.5933 0.5933 3.5392 3.5392 3.5871 3.5871 3.8078 3.8078 3.8650 3.8650 6.4817 6.4817 6.5033 6.5033 7.2590 7.2590 7.3481 7.3481 8.1550 8.1550 8.1903 8.1903 8.3799 8.3799 8.3970 8.3970 8.9135 8.9135 8.9262 8.9262 9.0129 9.0129 9.0308 9.0308 11.3607 11.3607 11.3780 11.3780 12.2616 12.2616 12.3198 12.3198 k = 0.5000 0.3702 0.3083 ( 3664 PWs) bands (ev): -3.5018 -3.5018 -3.5000 -3.5000 0.5910 0.5910 0.5927 0.5927 3.5584 3.5584 3.5893 3.5893 3.7992 3.7992 3.8448 3.8448 6.4818 6.4818 6.5033 6.5033 7.2620 7.2620 7.3507 7.3507 8.1560 8.1560 8.1906 8.1906 8.3797 8.3797 8.3954 8.3954 8.9144 8.9144 8.9266 8.9266 9.0137 9.0137 9.0319 9.0319 11.3720 11.3720 11.3816 11.3816 12.2698 12.2698 12.3046 12.3046 k = 0.5000 0.3702 0.3083 ( 3664 PWs) bands (ev): -3.5018 -3.5018 -3.5000 -3.5000 0.5910 0.5910 0.5927 0.5927 3.5584 3.5584 3.5893 3.5893 3.7992 3.7992 3.8448 3.8448 6.4818 6.4818 6.5033 6.5033 7.2620 7.2620 7.3507 7.3507 8.1560 8.1560 8.1906 8.1906 8.3797 8.3797 8.3954 8.3954 8.9144 8.9144 8.9266 8.9266 9.0137 9.0137 9.0319 9.0319 11.3720 11.3720 11.3816 11.3816 12.2698 12.2698 12.3046 12.3046 k = 0.4886 0.3702 0.3083 ( 3676 PWs) bands (ev): -3.5025 -3.5025 -3.5007 -3.5007 0.5877 0.5877 0.5894 0.5894 3.5607 3.5607 3.5914 3.5914 3.8037 3.8037 3.8488 3.8488 6.4816 6.4816 6.5032 6.5032 7.2627 7.2627 7.3515 7.3515 8.1557 8.1557 8.1905 8.1905 8.3799 8.3799 8.3955 8.3955 8.9106 8.9106 8.9298 8.9298 9.0111 9.0111 9.0341 9.0341 11.3699 11.3699 11.3807 11.3807 12.2676 12.2676 12.3063 12.3063 k = 0.4773 0.3702 0.3083 ( 3672 PWs) bands (ev): -3.5045 -3.5045 -3.5027 -3.5027 0.5777 0.5777 0.5794 0.5794 3.5674 3.5674 3.5975 3.5975 3.8170 3.8170 3.8611 3.8611 6.4812 6.4812 6.5030 6.5030 7.2650 7.2650 7.3541 7.3541 8.1551 8.1551 8.1903 8.1903 8.3803 8.3803 8.3960 8.3960 8.9034 8.9034 8.9355 8.9355 9.0056 9.0056 9.0390 9.0390 11.3642 11.3642 11.3780 11.3780 12.2617 12.2617 12.3103 12.3103 k = 0.4659 0.3702 0.3083 ( 3680 PWs) bands (ev): -3.5079 -3.5079 -3.5060 -3.5060 0.5613 0.5613 0.5629 0.5629 3.5782 3.5782 3.6075 3.6075 3.8390 3.8390 3.8814 3.8814 6.4804 6.4804 6.5027 6.5027 7.2687 7.2687 7.3584 7.3584 8.1539 8.1539 8.1899 8.1899 8.3809 8.3809 8.3967 8.3967 8.8953 8.8953 8.9410 8.9410 8.9990 8.9990 9.0444 9.0444 11.3554 11.3554 11.3727 11.3727 12.2537 12.2537 12.3144 12.3144 k = 0.4545 0.3702 0.3083 ( 3676 PWs) bands (ev): -3.5125 -3.5125 -3.5107 -3.5107 0.5388 0.5388 0.5404 0.5404 3.5929 3.5929 3.6213 3.6213 3.8693 3.8693 3.9096 3.9096 6.4795 6.4795 6.5024 6.5024 7.2740 7.2740 7.3644 7.3644 8.1523 8.1523 8.1895 8.1895 8.3817 8.3817 8.3978 8.3978 8.8868 8.8868 8.9458 8.9458 8.9923 8.9923 9.0500 9.0500 11.3441 11.3441 11.3649 11.3649 12.2439 12.2439 12.3169 12.3169 k = 0.4432 0.3702 0.3083 ( 3672 PWs) bands (ev): -3.5184 -3.5184 -3.5166 -3.5166 0.5107 0.5107 0.5122 0.5122 3.6112 3.6112 3.6387 3.6387 3.9075 3.9075 3.9456 3.9456 6.4785 6.4785 6.5021 6.5021 7.2808 7.2808 7.3721 7.3721 8.1502 8.1502 8.1891 8.1891 8.3826 8.3826 8.3991 8.3991 8.8781 8.8781 8.9493 8.9493 8.9863 8.9863 9.0553 9.0553 11.3308 11.3308 11.3546 11.3546 12.2324 12.2324 12.3166 12.3166 k = 0.4318 0.3702 0.3083 ( 3676 PWs) bands (ev): -3.5256 -3.5256 -3.5237 -3.5237 0.4775 0.4775 0.4790 0.4790 3.6325 3.6325 3.6593 3.6593 3.9531 3.9531 3.9888 3.9888 6.4775 6.4775 6.5021 6.5021 7.2891 7.2891 7.3816 7.3816 8.1477 8.1477 8.1886 8.1886 8.3835 8.3835 8.4005 8.4005 8.8694 8.8694 8.9507 8.9507 8.9819 8.9819 9.0605 9.0605 11.3157 11.3157 11.3421 11.3421 12.2189 12.2189 12.3125 12.3125 k = 0.4205 0.3702 0.3083 ( 3672 PWs) bands (ev): -3.5339 -3.5339 -3.5320 -3.5320 0.4398 0.4398 0.4412 0.4412 3.6568 3.6568 3.6831 3.6831 4.0053 4.0053 4.0387 4.0387 6.4769 6.4769 6.5024 6.5024 7.2989 7.2989 7.3927 7.3927 8.1448 8.1448 8.1883 8.1883 8.3842 8.3842 8.4021 8.4021 8.8608 8.8608 8.9491 8.9491 8.9802 8.9802 9.0655 9.0655 11.2992 11.2992 11.3276 11.3276 12.2032 12.2032 12.3044 12.3044 k = 0.4091 0.3702 0.3083 ( 3680 PWs) bands (ev): -3.5433 -3.5433 -3.5414 -3.5414 0.3982 0.3982 0.3996 0.3996 3.6837 3.6837 3.7097 3.7097 4.0632 4.0632 4.0947 4.0947 6.4766 6.4766 6.5033 6.5033 7.3102 7.3102 7.4054 7.4054 8.1415 8.1415 8.1881 8.1881 8.3847 8.3847 8.4037 8.4037 8.8525 8.8525 8.9448 8.9448 8.9812 8.9812 9.0703 9.0703 11.2817 11.2817 11.3113 11.3113 12.1851 12.1851 12.2921 12.2921 k = 0.3977 0.3702 0.3083 ( 3680 PWs) bands (ev): -3.5538 -3.5538 -3.5519 -3.5519 0.3532 0.3532 0.3546 0.3546 3.7131 3.7131 3.7390 3.7390 4.1262 4.1262 4.1560 4.1560 6.4770 6.4770 6.5050 6.5050 7.3230 7.3230 7.4198 7.4198 8.1379 8.1379 8.1881 8.1881 8.3848 8.3848 8.4053 8.4053 8.8447 8.8447 8.9389 8.9389 8.9840 8.9840 9.0752 9.0752 11.2632 11.2632 11.2938 11.2938 12.1644 12.1644 12.2760 12.2760 k = 0.3864 0.3702 0.3083 ( 3680 PWs) bands (ev): -3.5653 -3.5653 -3.5634 -3.5634 0.3055 0.3055 0.3068 0.3068 3.7448 3.7448 3.7707 3.7707 4.1933 4.1933 4.2217 4.2217 6.4784 6.4784 6.5076 6.5076 7.3372 7.3372 7.4358 7.4358 8.1340 8.1340 8.1882 8.1882 8.3844 8.3844 8.4069 8.4069 8.8375 8.8375 8.9323 8.9323 8.9880 8.9880 9.0801 9.0801 11.2443 11.2443 11.2752 11.2752 12.1413 12.1413 12.2564 12.2564 k = 0.3750 0.3702 0.3083 ( 3672 PWs) bands (ev): -3.5776 -3.5776 -3.5757 -3.5757 0.2556 0.2556 0.2569 0.2569 3.7787 3.7787 3.8047 3.8047 4.2636 4.2636 4.2910 4.2910 6.4809 6.4809 6.5116 6.5116 7.3529 7.3529 7.4534 7.4534 8.1301 8.1301 8.1887 8.1887 8.3834 8.3834 8.4085 8.4085 8.8311 8.8311 8.9257 8.9257 8.9928 8.9928 9.0853 9.0853 11.2249 11.2249 11.2559 11.2559 12.1157 12.1157 12.2338 12.2338 k = 0.3636 0.3702 0.3083 ( 3664 PWs) bands (ev): -3.5908 -3.5908 -3.5889 -3.5889 0.2040 0.2040 0.2053 0.2053 3.8145 3.8145 3.8406 3.8406 4.3364 4.3364 4.3629 4.3629 6.4848 6.4848 6.5170 6.5170 7.3699 7.3699 7.4723 7.4723 8.1261 8.1261 8.1895 8.1895 8.3818 8.3818 8.4099 8.4099 8.8257 8.8257 8.9194 8.9194 8.9984 8.9984 9.0908 9.0908 11.2054 11.2054 11.2361 11.2361 12.0879 12.0879 12.2086 12.2086 k = 0.3523 0.3702 0.3083 ( 3664 PWs) bands (ev): -3.6048 -3.6048 -3.6028 -3.6028 0.1511 0.1511 0.1524 0.1524 3.8521 3.8521 3.8783 3.8783 4.4106 4.4106 4.4368 4.4368 6.4905 6.4905 6.5242 6.5242 7.3882 7.3882 7.4926 7.4926 8.1221 8.1221 8.1905 8.1905 8.3795 8.3795 8.4112 8.4112 8.8213 8.8213 8.9136 8.9136 9.0049 9.0049 9.0968 9.0968 11.1859 11.1859 11.2162 11.2162 12.0580 12.0580 12.1810 12.1810 k = 0.3409 0.3702 0.3083 ( 3668 PWs) bands (ev): -3.6194 -3.6194 -3.6174 -3.6174 0.0974 0.0974 0.0987 0.0987 3.8913 3.8913 3.9174 3.9174 4.4856 4.4856 4.5116 4.5116 6.4980 6.4980 6.5334 6.5334 7.4078 7.4078 7.5141 7.5141 8.1183 8.1183 8.1918 8.1918 8.3766 8.3766 8.4124 8.4124 8.8181 8.8181 8.9084 8.9084 9.0124 9.0124 9.1034 9.1034 11.1666 11.1666 11.1963 11.1963 12.0263 12.0263 12.1515 12.1515 k = 0.3295 0.3702 0.3083 ( 3668 PWs) bands (ev): -3.6345 -3.6345 -3.6326 -3.6326 0.0432 0.0432 0.0446 0.0446 3.9317 3.9317 3.9578 3.9578 4.5607 4.5607 4.5867 4.5867 6.5077 6.5077 6.5447 6.5447 7.4287 7.4287 7.5368 7.5368 8.1148 8.1148 8.1935 8.1935 8.3731 8.3731 8.4134 8.4134 8.8163 8.8163 8.9041 8.9041 9.0213 9.0213 9.1109 9.1109 11.1476 11.1476 11.1767 11.1767 11.9930 11.9930 12.1204 12.1204 k = 0.3182 0.3702 0.3083 ( 3676 PWs) bands (ev): -3.6502 -3.6502 -3.6482 -3.6482 -0.0110 -0.0110 -0.0096 -0.0096 3.9731 3.9731 3.9990 3.9990 4.6350 4.6350 4.6612 4.6612 6.5196 6.5196 6.5582 6.5582 7.4507 7.4507 7.5606 7.5606 8.1117 8.1117 8.1954 8.1954 8.3691 8.3691 8.4145 8.4145 8.8159 8.8159 8.9005 8.9005 9.0317 9.0317 9.1194 9.1194 11.1291 11.1291 11.1576 11.1576 11.9583 11.9583 12.0881 12.0881 k = 0.3068 0.3702 0.3083 ( 3676 PWs) bands (ev): -3.6662 -3.6662 -3.6643 -3.6643 -0.0650 -0.0650 -0.0636 -0.0636 4.0151 4.0151 4.0409 4.0409 4.7081 4.7081 4.7347 4.7347 6.5337 6.5337 6.5739 6.5739 7.4741 7.4741 7.5854 7.5854 8.1091 8.1091 8.1975 8.1975 8.3650 8.3650 8.4156 8.4156 8.8169 8.8169 8.8981 8.8981 9.0438 9.0438 9.1292 9.1292 11.1111 11.1111 11.1391 11.1391 11.9226 11.9226 12.0550 12.0550 k = 0.2955 0.3702 0.3083 ( 3672 PWs) bands (ev): -3.6825 -3.6825 -3.6806 -3.6806 -0.1185 -0.1185 -0.1171 -0.1171 4.0576 4.0576 4.0830 4.0830 4.7794 4.7794 4.8065 4.8065 6.5499 6.5499 6.5917 6.5917 7.4989 7.4989 7.6112 7.6112 8.1070 8.1070 8.1997 8.1997 8.3609 8.3609 8.4169 8.4169 8.8195 8.8195 8.8966 8.8966 9.0578 9.0578 9.1405 9.1405 11.0939 11.0939 11.1216 11.1216 11.8862 11.8862 12.0213 12.0213 k = 0.2841 0.3702 0.3083 ( 3668 PWs) bands (ev): -3.6990 -3.6990 -3.6971 -3.6971 -0.1713 -0.1713 -0.1699 -0.1699 4.1000 4.1000 4.1250 4.1250 4.8486 4.8486 4.8763 4.8763 6.5679 6.5679 6.6112 6.6112 7.5253 7.5253 7.6382 7.6382 8.1054 8.1054 8.2016 8.2016 8.3574 8.3574 8.4185 8.4185 8.8236 8.8236 8.8963 8.8963 9.0739 9.0739 9.1537 9.1537 11.0775 11.0775 11.1051 11.1051 11.8493 11.8493 11.9875 11.9875 k = 0.2727 0.3702 0.3083 ( 3664 PWs) bands (ev): -3.7157 -3.7157 -3.7138 -3.7138 -0.2232 -0.2232 -0.2218 -0.2218 4.1420 4.1420 4.1665 4.1665 4.9154 4.9154 4.9437 4.9437 6.5874 6.5874 6.6319 6.6319 7.5534 7.5534 7.6664 7.6664 8.1042 8.1042 8.2030 8.2030 8.3550 8.3550 8.4205 8.4205 8.8292 8.8292 8.8971 8.8971 9.0922 9.0922 9.1689 9.1689 11.0621 11.0621 11.0898 11.0898 11.8124 11.8124 11.9539 11.9539 k = 0.2614 0.3702 0.3083 ( 3668 PWs) bands (ev): -3.7323 -3.7323 -3.7305 -3.7305 -0.2739 -0.2739 -0.2725 -0.2725 4.1834 4.1834 4.2072 4.2072 4.9797 4.9797 5.0087 5.0087 6.6076 6.6076 6.6531 6.6531 7.5836 7.5836 7.6960 7.6960 8.1033 8.1033 8.2034 8.2034 8.3541 8.3541 8.4231 8.4231 8.8363 8.8363 8.8991 8.8991 9.1125 9.1125 9.1865 9.1865 11.0478 11.0478 11.0759 11.0759 11.7757 11.7757 11.9210 11.9210 k = 0.2500 0.3702 0.3083 ( 3660 PWs) bands (ev): -3.7489 -3.7489 -3.7471 -3.7471 -0.3234 -0.3234 -0.3219 -0.3219 4.2236 4.2236 4.2467 4.2467 5.0417 5.0417 5.0712 5.0712 6.6279 6.6279 6.6741 6.6741 7.6162 7.6162 7.7274 7.7274 8.1026 8.1026 8.2025 8.2025 8.3554 8.3554 8.4265 8.4265 8.8447 8.8447 8.9024 8.9024 9.1349 9.1349 9.2069 9.2069 11.0346 11.0346 11.0635 11.0635 11.7397 11.7397 11.8892 11.8892 k = 0.2386 0.3702 0.3083 ( 3660 PWs) bands (ev): -3.7654 -3.7654 -3.7636 -3.7636 -0.3714 -0.3714 -0.3699 -0.3699 4.2624 4.2624 4.2846 4.2846 5.1014 5.1014 5.1315 5.1315 6.6473 6.6473 6.6938 6.6938 7.6515 7.6515 7.7607 7.7607 8.1017 8.1017 8.2001 8.2001 8.3593 8.3593 8.4306 8.4306 8.8544 8.8544 8.9070 8.9070 9.1588 9.1588 9.2303 9.2303 11.0227 11.0227 11.0527 11.0527 11.7047 11.7047 11.8591 11.8591 k = 0.2273 0.3702 0.3083 ( 3660 PWs) bands (ev): -3.7816 -3.7816 -3.7799 -3.7799 -0.4178 -0.4178 -0.4164 -0.4164 4.2995 4.2995 4.3206 4.3206 5.1591 5.1591 5.1897 5.1897 6.6651 6.6651 6.7113 6.7113 7.6896 7.6896 7.7964 7.7964 8.1005 8.1005 8.1960 8.1960 8.3659 8.3659 8.4355 8.4355 8.8652 8.8652 8.9133 8.9133 9.1842 9.1842 9.2569 9.2569 11.0121 11.0121 11.0437 11.0437 11.6713 11.6713 11.8311 11.8311 k = 0.2159 0.3702 0.3083 ( 3664 PWs) bands (ev): -3.7975 -3.7975 -3.7959 -3.7959 -0.4624 -0.4624 -0.4611 -0.4611 4.3344 4.3344 4.3545 4.3545 5.2153 5.2153 5.2462 5.2462 6.6802 6.6802 6.7257 6.7257 7.7305 7.7305 7.8345 7.8345 8.0991 8.0991 8.1907 8.1907 8.3749 8.3749 8.4414 8.4414 8.8770 8.8770 8.9214 8.9214 9.2104 9.2104 9.2866 9.2866 11.0026 11.0026 11.0364 11.0364 11.6401 11.6401 11.8059 11.8059 k = 0.2045 0.3702 0.3083 ( 3660 PWs) bands (ev): -3.8131 -3.8131 -3.8115 -3.8115 -0.5053 -0.5053 -0.5040 -0.5040 4.3671 4.3671 4.3861 4.3861 5.2702 5.2702 5.3015 5.3015 6.6920 6.6920 6.7362 6.7362 7.7740 7.7740 7.8751 7.8751 8.0975 8.0975 8.1845 8.1845 8.3861 8.3861 8.4480 8.4480 8.8894 8.8894 8.9320 8.9320 9.2375 9.2375 9.3191 9.3191 10.9941 10.9941 11.0310 11.0310 11.6119 11.6119 11.7842 11.7842 k = 0.1932 0.3702 0.3083 ( 3660 PWs) bands (ev): -3.8282 -3.8282 -3.8267 -3.8267 -0.5463 -0.5463 -0.5450 -0.5450 4.3973 4.3973 4.4150 4.4150 5.3243 5.3243 5.3557 5.3557 6.6998 6.6998 6.7421 6.7421 7.8195 7.8195 7.9177 7.9177 8.0958 8.0958 8.1781 8.1781 8.3988 8.3988 8.4554 8.4554 8.9022 8.9022 8.9453 8.9453 9.2649 9.2649 9.3536 9.3536 10.9862 10.9862 11.0272 11.0272 11.5875 11.5875 11.7669 11.7669 k = 0.1818 0.3702 0.3083 ( 3664 PWs) bands (ev): -3.8428 -3.8428 -3.8413 -3.8413 -0.5853 -0.5853 -0.5841 -0.5841 4.4248 4.4248 4.4413 4.4413 5.3778 5.3778 5.4094 5.4094 6.7032 6.7032 6.7433 6.7433 7.8656 7.8656 7.9614 7.9614 8.0950 8.0950 8.1724 8.1724 8.4126 8.4126 8.4636 8.4636 8.9155 8.9155 8.9618 8.9618 9.2924 9.2924 9.3893 9.3893 10.9786 10.9786 11.0244 11.0244 11.5684 11.5684 11.7550 11.7550 k = 0.1705 0.3702 0.3083 ( 3652 PWs) bands (ev): -3.8568 -3.8568 -3.8554 -3.8554 -0.6222 -0.6222 -0.6211 -0.6211 4.4497 4.4497 4.4649 4.4649 5.4312 5.4312 5.4629 5.4629 6.7020 6.7020 6.7394 6.7394 7.9106 7.9106 8.0037 8.0037 8.0968 8.0968 8.1691 8.1691 8.4270 8.4270 8.4726 8.4726 8.9296 8.9296 8.9817 8.9817 9.3198 9.3198 9.4252 9.4252 10.9707 10.9707 11.0220 11.0220 11.5559 11.5559 11.7493 11.7493 k = 0.1591 0.3702 0.3083 ( 3656 PWs) bands (ev): -3.8703 -3.8703 -3.8689 -3.8689 -0.6570 -0.6570 -0.6559 -0.6559 4.4719 4.4719 4.4858 4.4858 5.4845 5.4845 5.5162 5.5162 6.6961 6.6961 6.7307 6.7307 7.9516 7.9516 8.0379 8.0379 8.1066 8.1066 8.1706 8.1706 8.4413 8.4413 8.4822 8.4822 8.9448 8.9448 9.0048 9.0048 9.3463 9.3463 9.4602 9.4602 10.9618 10.9618 11.0187 11.0187 11.5518 11.5518 11.7508 11.7508 k = 0.1477 0.3702 0.3083 ( 3660 PWs) bands (ev): -3.8830 -3.8830 -3.8817 -3.8817 -0.6896 -0.6896 -0.6886 -0.6886 4.4915 4.4915 4.5042 4.5042 5.5381 5.5381 5.5696 5.5696 6.6856 6.6856 6.7172 6.7172 7.9847 7.9847 8.0554 8.0554 8.1311 8.1311 8.1813 8.1813 8.4553 8.4553 8.4924 8.4924 8.9618 8.9618 9.0312 9.0312 9.3717 9.3717 9.4935 9.4935 10.9516 10.9516 11.0133 11.0133 11.5577 11.5577 11.7604 11.7604 k = 0.1364 0.3702 0.3083 ( 3668 PWs) bands (ev): -3.8950 -3.8950 -3.8938 -3.8938 -0.7200 -0.7200 -0.7191 -0.7191 4.5086 4.5086 4.5201 4.5201 5.5918 5.5918 5.6232 5.6232 6.6706 6.6706 6.6992 6.6992 8.0066 8.0066 8.0600 8.0600 8.1629 8.1629 8.2058 8.2058 8.4688 8.4688 8.5032 8.5032 8.9812 8.9812 9.0609 9.0609 9.3951 9.3951 9.5240 9.5240 10.9395 10.9395 11.0048 11.0048 11.5749 11.5749 11.7786 11.7786 k = 0.1250 0.3702 0.3083 ( 3668 PWs) bands (ev): -3.9061 -3.9061 -3.9051 -3.9051 -0.7481 -0.7481 -0.7472 -0.7472 4.5235 4.5235 4.5338 4.5338 5.6459 5.6459 5.6770 5.6770 6.6514 6.6514 6.6773 6.6773 8.0177 8.0177 8.0594 8.0594 8.1956 8.1956 8.2412 8.2412 8.4818 8.4818 8.5144 8.5144 9.0034 9.0034 9.0939 9.0939 9.4162 9.4162 9.5512 9.5512 10.9254 10.9254 10.9923 10.9923 11.6041 11.6041 11.8057 11.8057 k = 0.1136 0.3702 0.3083 ( 3668 PWs) bands (ev): -3.9165 -3.9165 -3.9155 -3.9155 -0.7739 -0.7739 -0.7731 -0.7731 4.5362 4.5362 4.5454 4.5454 5.7002 5.7002 5.7309 5.7309 6.6283 6.6283 6.6516 6.6516 8.0217 8.0217 8.0561 8.0561 8.2291 8.2291 8.2794 8.2794 8.4943 8.4943 8.5257 8.5257 9.0289 9.0289 9.1300 9.1300 9.4344 9.4344 9.5743 9.5743 10.9093 10.9093 10.9760 10.9760 11.6447 11.6447 11.8413 11.8413 k = 0.1023 0.3702 0.3083 ( 3676 PWs) bands (ev): -3.9260 -3.9260 -3.9251 -3.9251 -0.7973 -0.7973 -0.7966 -0.7966 4.5470 4.5470 4.5550 4.5550 5.7546 5.7546 5.7849 5.7849 6.6014 6.6014 6.6225 6.6225 8.0218 8.0218 8.0511 8.0511 8.2622 8.2622 8.3154 8.3154 8.5065 8.5065 8.5367 8.5367 9.0577 9.0577 9.1689 9.1689 9.4492 9.4492 9.5930 9.5930 10.8915 10.8915 10.9562 10.9562 11.6958 11.6958 11.8846 11.8846 k = 0.0909 0.3702 0.3083 ( 3680 PWs) bands (ev): -3.9346 -3.9346 -3.9338 -3.9338 -0.8183 -0.8183 -0.8176 -0.8176 4.5560 4.5560 4.5631 4.5631 5.8092 5.8092 5.8389 5.8389 6.5710 6.5710 6.5905 6.5905 8.0203 8.0203 8.0454 8.0454 8.2934 8.2934 8.3469 8.3469 8.5187 8.5187 8.5473 8.5473 9.0900 9.0900 9.2101 9.2101 9.4603 9.4603 9.6071 9.6071 10.8725 10.8725 10.9338 10.9338 11.7555 11.7555 11.9342 11.9342 k = 0.0795 0.3702 0.3083 ( 3680 PWs) bands (ev): -3.9422 -3.9422 -3.9415 -3.9415 -0.8369 -0.8369 -0.8363 -0.8363 4.5636 4.5636 4.5696 4.5696 5.8637 5.8637 5.8927 5.8927 6.5375 6.5375 6.5559 6.5559 8.0181 8.0181 8.0395 8.0395 8.3216 8.3216 8.3730 8.3730 8.5307 8.5307 8.5570 8.5570 9.1253 9.1253 9.2529 9.2529 9.4676 9.4676 9.6163 9.6163 10.8532 10.8532 10.9098 10.9098 11.8216 11.8216 11.9880 11.9880 k = 0.0682 0.3702 0.3083 ( 3688 PWs) bands (ev): -3.9489 -3.9489 -3.9483 -3.9483 -0.8531 -0.8531 -0.8526 -0.8526 4.5697 4.5697 4.5748 4.5748 5.9180 5.9180 5.9462 5.9462 6.5011 6.5011 6.5189 6.5189 8.0157 8.0157 8.0338 8.0338 8.3465 8.3465 8.3934 8.3934 8.5424 8.5424 8.5657 8.5657 9.1628 9.1628 9.2964 9.2964 9.4709 9.4709 9.6206 9.6206 10.8343 10.8343 10.8852 10.8852 11.8915 11.8915 12.0436 12.0436 k = 0.0568 0.3702 0.3083 ( 3688 PWs) bands (ev): -3.9546 -3.9546 -3.9540 -3.9540 -0.8668 -0.8668 -0.8664 -0.8664 4.5747 4.5747 4.5789 4.5789 5.9719 5.9719 5.9993 5.9993 6.4620 6.4620 6.4797 6.4797 8.0137 8.0137 8.0284 8.0284 8.3679 8.3679 8.4086 8.4086 8.5534 8.5534 8.5731 8.5731 9.2017 9.2017 9.3391 9.3391 9.4705 9.4705 9.6200 9.6200 10.8168 10.8168 10.8611 10.8611 11.9623 11.9623 12.0976 12.0976 k = 0.0455 0.3702 0.3083 ( 3676 PWs) bands (ev): -3.9592 -3.9592 -3.9588 -3.9588 -0.8780 -0.8780 -0.8777 -0.8777 4.5787 4.5787 4.5820 4.5820 6.0254 6.0254 6.0518 6.0518 6.4206 6.4206 6.4387 6.4387 8.0120 8.0120 8.0237 8.0237 8.3860 8.3860 8.4193 8.4193 8.5632 8.5632 8.5791 8.5791 9.2409 9.2409 9.3787 9.3787 9.4677 9.4677 9.6143 9.6143 10.8018 10.8018 10.8385 10.8385 12.0309 12.0309 12.1465 12.1465 k = 0.0341 0.3702 0.3083 ( 3668 PWs) bands (ev): -3.9629 -3.9629 -3.9625 -3.9625 -0.8867 -0.8867 -0.8865 -0.8865 4.5818 4.5818 4.5842 4.5842 6.0780 6.0780 6.1033 6.1033 6.3772 6.3772 6.3960 6.3960 8.0110 8.0110 8.0196 8.0196 8.4007 8.4007 8.4260 8.4260 8.5715 8.5715 8.5834 8.5834 9.2791 9.2791 9.4084 9.4084 9.4682 9.4682 9.6036 9.6036 10.7901 10.7901 10.8185 10.8185 12.0940 12.0940 12.1863 12.1863 k = 0.0227 0.3702 0.3083 ( 3672 PWs) bands (ev): -3.9654 -3.9654 -3.9652 -3.9652 -0.8930 -0.8930 -0.8928 -0.8928 4.5840 4.5840 4.5856 4.5856 6.1296 6.1296 6.1535 6.1535 6.3325 6.3325 6.3519 6.3519 8.0105 8.0105 8.0163 8.0163 8.4122 8.4122 8.4291 8.4291 8.5780 8.5780 8.5860 8.5860 9.3151 9.3151 9.4138 9.4138 9.4853 9.4853 9.5879 9.5879 10.7826 10.7826 10.8019 10.8019 12.1480 12.1480 12.2128 12.2128 k = 0.0114 0.3702 0.3083 ( 3672 PWs) bands (ev): -3.9670 -3.9670 -3.9669 -3.9669 -0.8967 -0.8967 -0.8966 -0.8966 4.5855 4.5855 4.5863 4.5863 6.1792 6.1792 6.2004 6.2004 6.2883 6.2883 6.3072 6.3072 8.0108 8.0108 8.0137 8.0137 8.4207 8.4207 8.4292 8.4292 8.5828 8.5828 8.5868 8.5868 9.3480 9.3480 9.3997 9.3997 9.5137 9.5137 9.5673 9.5673 10.7798 10.7798 10.7896 10.7896 12.1894 12.1894 12.2230 12.2230 k = 0.0000 0.3702 0.3083 ( 3668 PWs) bands (ev): -3.9675 -3.9675 -3.9675 -3.9675 -0.8979 -0.8979 -0.8979 -0.8979 4.5862 4.5862 4.5862 4.5862 6.2196 6.2196 6.2196 6.2196 6.2692 6.2692 6.2692 6.2692 8.0118 8.0118 8.0118 8.0118 8.4264 8.4264 8.4264 8.4264 8.5857 8.5857 8.5857 8.5857 9.3766 9.3766 9.3766 9.3766 9.5422 9.5422 9.5422 9.5422 10.7822 10.7822 10.7822 10.7822 12.2150 12.2150 12.2150 12.2150 k = 0.0000 0.3702 0.3083 ( 3668 PWs) bands (ev): -3.9675 -3.9675 -3.9675 -3.9675 -0.8979 -0.8979 -0.8979 -0.8979 4.5862 4.5862 4.5862 4.5862 6.2196 6.2196 6.2196 6.2196 6.2692 6.2692 6.2692 6.2692 8.0118 8.0118 8.0118 8.0118 8.4264 8.4264 8.4264 8.4264 8.5857 8.5857 8.5857 8.5857 9.3766 9.3766 9.3766 9.3766 9.5422 9.5422 9.5422 9.5422 10.7822 10.7822 10.7822 10.7822 12.2150 12.2150 12.2150 12.2150 k = 0.0000 0.3590 0.3083 ( 3670 PWs) bands (ev): -3.9688 -3.9688 -3.9685 -3.9685 -0.8953 -0.8953 -0.8949 -0.8949 4.5838 4.5838 4.5851 4.5851 6.2201 6.2201 6.2202 6.2202 6.2696 6.2696 6.2708 6.2708 8.0084 8.0084 8.0123 8.0123 8.4242 8.4242 8.4274 8.4274 8.5833 8.5833 8.5859 8.5859 9.3736 9.3736 9.3748 9.3748 9.5388 9.5388 9.5397 9.5397 10.7832 10.7832 10.7870 10.7870 12.2166 12.2166 12.2185 12.2185 k = 0.0000 0.3478 0.3083 ( 3674 PWs) bands (ev): -3.9724 -3.9724 -3.9717 -3.9717 -0.8870 -0.8870 -0.8862 -0.8862 4.5779 4.5779 4.5806 4.5806 6.2217 6.2217 6.2218 6.2218 6.2718 6.2718 6.2743 6.2743 8.0018 8.0018 8.0097 8.0097 8.4210 8.4210 8.4274 8.4274 8.5787 8.5787 8.5839 8.5839 9.3655 9.3655 9.3682 9.3682 9.5303 9.5303 9.5316 9.5316 10.7900 10.7900 10.7974 10.7974 12.2232 12.2232 12.2270 12.2270 k = 0.0000 0.3365 0.3083 ( 3670 PWs) bands (ev): -3.9782 -3.9782 -3.9772 -3.9772 -0.8732 -0.8732 -0.8719 -0.8719 4.5688 4.5688 4.5728 4.5728 6.2242 6.2242 6.2244 6.2244 6.2759 6.2759 6.2797 6.2797 7.9920 7.9920 8.0039 8.0039 8.4169 8.4169 8.4266 8.4266 8.5720 8.5720 8.5798 8.5798 9.3516 9.3516 9.3566 9.3566 9.5185 9.5185 9.5192 9.5192 10.8020 10.8020 10.8126 10.8126 12.2348 12.2348 12.2404 12.2404 k = 0.0000 0.3253 0.3083 ( 3670 PWs) bands (ev): -3.9861 -3.9861 -3.9849 -3.9849 -0.8540 -0.8540 -0.8523 -0.8523 4.5564 4.5564 4.5618 4.5618 6.2274 6.2274 6.2277 6.2277 6.2816 6.2816 6.2867 6.2867 7.9788 7.9788 7.9948 7.9948 8.4120 8.4120 8.4250 8.4250 8.5631 8.5631 8.5735 8.5735 9.3316 9.3316 9.3394 9.3394 9.5043 9.5043 9.5053 9.5053 10.8183 10.8183 10.8317 10.8317 12.2512 12.2512 12.2586 12.2586 k = 0.0000 0.3141 0.3083 ( 3678 PWs) bands (ev): -3.9960 -3.9960 -3.9945 -3.9945 -0.8295 -0.8295 -0.8274 -0.8274 4.5411 4.5411 4.5478 4.5478 6.2311 6.2311 6.2316 6.2316 6.2886 6.2886 6.2950 6.2950 7.9619 7.9619 7.9819 7.9819 8.4067 8.4067 8.4230 8.4230 8.5523 8.5523 8.5653 8.5653 9.3055 9.3055 9.3166 9.3166 9.4890 9.4890 9.4924 9.4924 10.8379 10.8379 10.8535 10.8535 12.2724 12.2724 12.2813 12.2813 k = 0.0000 0.3029 0.3083 ( 3678 PWs) bands (ev): -4.0077 -4.0077 -4.0060 -4.0060 -0.7999 -0.7999 -0.7975 -0.7975 4.5232 4.5232 4.5311 4.5311 6.2353 6.2353 6.2358 6.2358 6.2964 6.2964 6.3041 6.3041 7.9412 7.9412 7.9652 7.9652 8.4015 8.4015 8.4210 8.4210 8.5398 8.5398 8.5553 8.5553 9.2746 9.2746 9.2886 9.2886 9.4745 9.4745 9.4806 9.4806 10.8597 10.8597 10.8772 10.8772 12.2980 12.2980 12.3083 12.3083 k = 0.0000 0.2917 0.3083 ( 3682 PWs) bands (ev): -4.0211 -4.0211 -4.0192 -4.0192 -0.7655 -0.7655 -0.7628 -0.7628 4.5029 4.5029 4.5120 4.5120 6.2398 6.2398 6.2404 6.2404 6.3043 6.3043 6.3132 6.3132 7.9166 7.9166 7.9444 7.9444 8.3966 8.3966 8.4192 8.4192 8.5255 8.5255 8.5436 8.5436 9.2404 9.2404 9.2569 9.2569 9.4615 9.4615 9.4701 9.4701 10.8829 10.8829 10.9017 10.9017 12.3279 12.3279 12.3395 12.3395 k = 0.0000 0.2805 0.3083 ( 3674 PWs) bands (ev): -4.0360 -4.0360 -4.0339 -4.0339 -0.7266 -0.7266 -0.7236 -0.7236 4.4805 4.4805 4.4907 4.4907 6.2447 6.2447 6.2453 6.2453 6.3115 6.3115 6.3215 6.3215 7.8884 7.8884 7.9198 7.9198 8.3924 8.3924 8.4181 8.4181 8.5100 8.5100 8.5307 8.5307 9.2046 9.2046 9.2229 9.2229 9.4499 9.4499 9.4606 9.4606 10.9068 10.9068 10.9266 10.9266 12.3616 12.3616 12.3744 12.3744 k = 0.0000 0.2692 0.3083 ( 3682 PWs) bands (ev): -4.0521 -4.0521 -4.0498 -4.0498 -0.6835 -0.6835 -0.6803 -0.6803 4.4563 4.4563 4.4677 4.4677 6.2498 6.2498 6.2503 6.2503 6.3170 6.3170 6.3280 6.3280 7.8570 7.8570 7.8916 7.8916 8.3889 8.3889 8.4175 8.4175 8.4935 8.4935 8.5166 8.5166 9.1688 9.1688 9.1884 9.1884 9.4395 9.4395 9.4519 9.4519 10.9307 10.9307 10.9511 10.9511 12.3988 12.3988 12.4127 12.4127 k = 0.0000 0.2580 0.3083 ( 3686 PWs) bands (ev): -4.0693 -4.0693 -4.0668 -4.0668 -0.6365 -0.6365 -0.6331 -0.6331 4.4307 4.4307 4.4431 4.4431 6.2551 6.2551 6.2556 6.2556 6.3200 6.3200 6.3318 6.3318 7.8232 7.8232 7.8606 7.8606 8.3860 8.3860 8.4171 8.4171 8.4768 8.4768 8.5023 8.5023 9.1342 9.1342 9.1545 9.1545 9.4301 9.4301 9.4438 9.4438 10.9543 10.9543 10.9751 10.9751 12.4390 12.4390 12.4540 12.4540 k = 0.0000 0.2468 0.3083 ( 3690 PWs) bands (ev): -4.0872 -4.0872 -4.0847 -4.0847 -0.5860 -0.5860 -0.5824 -0.5824 4.4038 4.4038 4.4173 4.4173 6.2606 6.2606 6.2610 6.2610 6.3196 6.3196 6.3318 6.3318 7.7881 7.7881 7.8276 7.8276 8.3832 8.3832 8.4155 8.4155 8.4618 8.4618 8.4883 8.4883 9.1016 9.1016 9.1223 9.1223 9.4215 9.4215 9.4361 9.4361 10.9773 10.9773 10.9984 10.9984 12.4818 12.4818 12.4978 12.4978 k = 0.0000 0.2356 0.3083 ( 3686 PWs) bands (ev): -4.1058 -4.1058 -4.1032 -4.1032 -0.5323 -0.5323 -0.5287 -0.5287 4.3760 4.3760 4.3905 4.3905 6.2659 6.2659 6.2662 6.2662 6.3150 6.3150 6.3272 6.3272 7.7530 7.7530 7.7940 7.7940 8.3795 8.3795 8.4091 8.4091 8.4524 8.4524 8.4761 8.4761 9.0715 9.0715 9.0924 9.0924 9.4135 9.4135 9.4288 9.4288 10.9996 10.9996 11.0208 11.0208 12.5265 12.5265 12.5437 12.5437 k = 0.0000 0.2244 0.3083 ( 3678 PWs) bands (ev): -4.1248 -4.1248 -4.1222 -4.1222 -0.4759 -0.4759 -0.4722 -0.4722 4.3476 4.3476 4.3629 4.3629 6.2699 6.2699 6.2703 6.2703 6.3066 6.3066 6.3179 6.3179 7.7192 7.7192 7.7611 7.7611 8.3734 8.3734 8.3953 8.3953 8.4512 8.4512 8.4673 8.4673 9.0442 9.0442 9.0652 9.0652 9.4061 9.4061 9.4219 9.4219 11.0212 11.0212 11.0423 11.0423 12.5722 12.5722 12.5908 12.5908 k = 0.0000 0.2131 0.3083 ( 3682 PWs) bands (ev): -4.1441 -4.1441 -4.1414 -4.1414 -0.4172 -0.4172 -0.4134 -0.4134 4.3186 4.3186 4.3347 4.3347 6.2676 6.2676 6.2708 6.2708 6.2982 6.2982 6.3062 6.3062 7.6879 7.6879 7.7299 7.7299 8.3635 8.3635 8.3767 8.3767 8.4557 8.4557 8.4631 8.4631 9.0199 9.0199 9.0408 9.0408 9.3992 9.3992 9.4152 9.4152 11.0420 11.0420 11.0629 11.0629 12.6180 12.6180 12.6383 12.6383 k = 0.0000 0.2019 0.3083 ( 3684 PWs) bands (ev): -4.1633 -4.1633 -4.1606 -4.1606 -0.3565 -0.3565 -0.3527 -0.3527 4.2894 4.2894 4.3062 4.3062 6.2513 6.2513 6.2583 6.2583 6.2973 6.2973 6.3004 6.3004 7.6604 7.6604 7.7018 7.7018 8.3497 8.3497 8.3560 8.3560 8.4633 8.4633 8.4639 8.4639 8.9985 8.9985 9.0193 9.0193 9.3927 9.3927 9.4087 9.4087 11.0621 11.0621 11.0828 11.0828 12.6624 12.6624 12.6849 12.6849 k = 0.0000 0.1907 0.3083 ( 3684 PWs) bands (ev): -4.1824 -4.1824 -4.1798 -4.1798 -0.2943 -0.2943 -0.2906 -0.2906 4.2601 4.2601 4.2776 4.2776 6.2232 6.2232 6.2305 6.2305 6.3018 6.3018 6.3030 6.3030 7.6374 7.6374 7.6774 7.6774 8.3327 8.3327 8.3343 8.3343 8.4687 8.4687 8.4729 8.4729 8.9800 8.9800 9.0007 9.0007 9.3867 9.3867 9.4026 9.4026 11.0816 11.0816 11.1021 11.1021 12.7033 12.7033 12.7287 12.7287 k = 0.0000 0.1795 0.3083 ( 3696 PWs) bands (ev): -4.2012 -4.2012 -4.1986 -4.1986 -0.2311 -0.2311 -0.2275 -0.2275 4.2308 4.2308 4.2488 4.2488 6.1870 6.1870 6.1931 6.1931 6.3079 6.3079 6.3085 6.3085 7.6190 7.6190 7.6572 7.6572 8.3124 8.3124 8.3138 8.3138 8.4765 8.4765 8.4836 8.4836 8.9642 8.9642 8.9847 8.9847 9.3811 9.3811 9.3968 9.3968 11.1006 11.1006 11.1207 11.1207 12.7375 12.7375 12.7667 12.7667 k = 0.0000 0.1683 0.3083 ( 3684 PWs) bands (ev): -4.2196 -4.2196 -4.2170 -4.2170 -0.1674 -0.1674 -0.1639 -0.1639 4.2018 4.2018 4.2202 4.2202 6.1445 6.1445 6.1489 6.1489 6.3147 6.3147 6.3151 6.3151 7.6055 7.6055 7.6414 7.6414 8.2905 8.2905 8.2939 8.2939 8.4862 8.4862 8.4954 8.4954 8.9513 8.9513 8.9715 8.9715 9.3760 9.3760 9.3913 9.3913 11.1191 11.1191 11.1389 11.1389 12.7614 12.7614 12.7946 12.7946 k = 0.0000 0.1571 0.3083 ( 3688 PWs) bands (ev): -4.2373 -4.2373 -4.2348 -4.2348 -0.1036 -0.1036 -0.1002 -0.1002 4.1732 4.1732 4.1919 4.1919 6.0970 6.0970 6.0994 6.0994 6.3217 6.3217 6.3220 6.3220 7.5964 7.5964 7.6296 7.6296 8.2689 8.2689 8.2735 8.2735 8.4971 8.4971 8.5074 8.5074 8.9409 8.9409 8.9608 8.9608 9.3713 9.3713 9.3861 9.3861 11.1374 11.1374 11.1567 11.1567 12.7719 12.7719 12.8080 12.8080 k = 0.0000 0.1458 0.3083 ( 3686 PWs) bands (ev): -4.2543 -4.2543 -4.2520 -4.2520 -0.0403 -0.0403 -0.0371 -0.0371 4.1452 4.1452 4.1640 4.1640 6.0456 6.0456 6.0461 6.0461 6.3288 6.3288 6.3290 6.3290 7.5911 7.5911 7.6215 7.6215 8.2478 8.2478 8.2531 8.2531 8.5087 8.5087 8.5197 8.5197 8.9331 8.9331 8.9527 8.9527 9.3670 9.3670 9.3812 9.3812 11.1553 11.1553 11.1741 11.1741 12.7689 12.7689 12.8058 12.8058 k = 0.0000 0.1346 0.3083 ( 3686 PWs) bands (ev): -4.2705 -4.2705 -4.2683 -4.2683 0.0219 0.0219 0.0249 0.0249 4.1179 4.1179 4.1366 4.1366 5.9904 5.9904 5.9918 5.9918 6.3358 6.3358 6.3360 6.3360 7.5891 7.5891 7.6166 7.6166 8.2274 8.2274 8.2330 8.2330 8.5205 8.5205 8.5316 8.5316 8.9278 8.9278 8.9468 8.9468 9.3631 9.3631 9.3766 9.3766 11.1730 11.1730 11.1913 11.1913 12.7552 12.7552 12.7912 12.7912 k = 0.0000 0.1234 0.3083 ( 3680 PWs) bands (ev): -4.2857 -4.2857 -4.2836 -4.2836 0.0826 0.0826 0.0853 0.0853 4.0916 4.0916 4.1100 4.1100 5.9339 5.9339 5.9369 5.9369 6.3427 6.3427 6.3428 6.3428 7.5896 7.5896 7.6142 7.6142 8.2080 8.2080 8.2137 8.2137 8.5319 8.5319 8.5430 8.5430 8.9249 8.9249 8.9431 8.9431 9.3597 9.3597 9.3724 9.3724 11.1905 11.1905 11.2081 11.2081 12.7342 12.7342 12.7683 12.7683 k = 0.0000 0.1122 0.3083 ( 3664 PWs) bands (ev): -4.2999 -4.2999 -4.2979 -4.2979 0.1410 0.1410 0.1435 0.1435 4.0663 4.0663 4.0842 4.0842 5.8778 5.8778 5.8822 5.8822 6.3493 6.3493 6.3494 6.3494 7.5919 7.5919 7.6138 7.6138 8.1896 8.1896 8.1952 8.1952 8.5429 8.5429 8.5535 8.5535 8.9242 8.9242 8.9415 8.9415 9.3566 9.3566 9.3685 9.3685 11.2078 11.2078 11.2246 11.2246 12.7088 12.7088 12.7407 12.7407 k = 0.0000 0.1010 0.3083 ( 3662 PWs) bands (ev): -4.3129 -4.3129 -4.3112 -4.3112 0.1965 0.1965 0.1988 0.1988 4.0424 4.0424 4.0595 4.0595 5.8235 5.8235 5.8288 5.8288 6.3555 6.3555 6.3557 6.3557 7.5956 7.5956 7.6147 7.6147 8.1725 8.1725 8.1778 8.1778 8.5529 8.5529 8.5629 8.5629 8.9254 8.9254 8.9416 8.9416 9.3540 9.3540 9.3649 9.3649 11.2247 11.2247 11.2406 11.2406 12.6811 12.6811 12.7105 12.7105 k = 0.0000 0.0897 0.3083 ( 3658 PWs) bands (ev): -4.3248 -4.3248 -4.3232 -4.3232 0.2486 0.2486 0.2506 0.2506 4.0200 4.0200 4.0361 4.0361 5.7720 5.7720 5.7779 5.7779 6.3614 6.3614 6.3615 6.3615 7.6000 7.6000 7.6166 7.6166 8.1567 8.1567 8.1616 8.1616 8.5618 8.5618 8.5710 8.5710 8.9283 8.9283 8.9432 8.9432 9.3517 9.3517 9.3617 9.3617 11.2411 11.2411 11.2559 11.2559 12.6526 12.6526 12.6794 12.6794 k = 0.0000 0.0785 0.3083 ( 3654 PWs) bands (ev): -4.3354 -4.3354 -4.3340 -4.3340 0.2965 0.2965 0.2982 0.2982 3.9995 3.9995 4.0143 4.0143 5.7245 5.7245 5.7306 5.7306 6.3668 6.3668 6.3669 6.3669 7.6048 7.6048 7.6189 7.6189 8.1425 8.1425 8.1470 8.1470 8.5695 8.5695 8.5778 8.5778 8.9324 8.9324 8.9457 8.9457 9.3499 9.3499 9.3588 9.3588 11.2568 11.2568 11.2705 11.2705 12.6247 12.6247 12.6487 12.6487 k = 0.0000 0.0673 0.3083 ( 3654 PWs) bands (ev): -4.3447 -4.3447 -4.3434 -4.3434 0.3397 0.3397 0.3411 0.3411 3.9810 3.9810 3.9943 3.9943 5.6817 5.6817 5.6877 5.6877 6.3716 6.3716 6.3717 6.3717 7.6096 7.6096 7.6214 7.6214 8.1299 8.1299 8.1339 8.1339 8.5761 8.5761 8.5833 8.5833 8.9373 8.9373 8.9490 8.9490 9.3484 9.3484 9.3562 9.3562 11.2716 11.2716 11.2839 11.2839 12.5984 12.5984 12.6195 12.6195 k = 0.0000 0.0561 0.3083 ( 3658 PWs) bands (ev): -4.3526 -4.3526 -4.3515 -4.3515 0.3775 0.3775 0.3787 0.3787 3.9650 3.9650 3.9765 3.9765 5.6444 5.6444 5.6500 5.6500 6.3758 6.3758 6.3759 6.3759 7.6141 7.6141 7.6238 7.6238 8.1191 8.1191 8.1225 8.1225 8.5815 8.5815 8.5876 8.5876 8.9426 8.9426 8.9526 8.9526 9.3472 9.3472 9.3538 9.3538 11.2852 11.2852 11.2958 11.2958 12.5746 12.5746 12.5926 12.5926 k = 0.0000 0.0449 0.3083 ( 3660 PWs) bands (ev): -4.3591 -4.3591 -4.3583 -4.3583 0.4093 0.4093 0.4103 0.4103 3.9516 3.9516 3.9611 3.9611 5.6132 5.6132 5.6181 5.6181 6.3793 6.3793 6.3794 6.3794 7.6183 7.6183 7.6259 7.6259 8.1102 8.1102 8.1130 8.1130 8.5859 8.5859 8.5907 8.5907 8.9479 8.9479 8.9560 8.9560 9.3465 9.3465 9.3518 9.3518 11.2972 11.2972 11.3060 11.3060 12.5541 12.5541 12.5688 12.5688 k = 0.0000 0.0337 0.3083 ( 3660 PWs) bands (ev): -4.3642 -4.3642 -4.3635 -4.3635 0.4347 0.4347 0.4354 0.4354 3.9412 3.9412 3.9485 3.9485 5.5887 5.5887 5.5925 5.5925 6.3821 6.3821 6.3822 6.3822 7.6218 7.6218 7.6274 7.6274 8.1033 8.1033 8.1054 8.1054 8.5893 8.5893 8.5930 8.5930 8.9527 8.9527 8.9588 8.9588 9.3461 9.3461 9.3501 9.3501 11.3073 11.3073 11.3141 11.3141 12.5378 12.5378 12.5490 12.5490 k = 0.0000 0.0224 0.3083 ( 3652 PWs) bands (ev): -4.3678 -4.3678 -4.3673 -4.3673 0.4532 0.4532 0.4536 0.4536 3.9339 3.9339 3.9389 3.9389 5.5711 5.5711 5.5738 5.5738 6.3842 6.3842 6.3842 6.3842 7.6247 7.6247 7.6284 7.6284 8.0984 8.0984 8.0998 8.0998 8.5919 8.5919 8.5943 8.5943 8.9567 8.9567 8.9608 8.9608 9.3460 9.3460 9.3488 9.3488 11.3152 11.3152 11.3198 11.3198 12.5262 12.5262 12.5338 12.5338 k = 0.0000 0.0112 0.3083 ( 3648 PWs) bands (ev): -4.3699 -4.3699 -4.3697 -4.3697 0.4644 0.4644 0.4646 0.4646 3.9300 3.9300 3.9325 3.9325 5.5608 5.5608 5.5621 5.5621 6.3854 6.3854 6.3854 6.3854 7.6268 7.6268 7.6286 7.6286 8.0957 8.0957 8.0964 8.0964 8.5936 8.5936 8.5948 8.5948 8.9596 8.9596 8.9617 8.9617 9.3463 9.3463 9.3477 9.3477 11.3205 11.3205 11.3229 11.3229 12.5199 12.5199 12.5237 12.5237 k = 0.0000 0.0000 0.3083 ( 3640 PWs) bands (ev): -4.3705 -4.3705 -4.3705 -4.3705 0.4683 0.4683 0.4683 0.4683 3.9296 3.9296 3.9296 3.9296 5.5578 5.5578 5.5578 5.5578 6.3859 6.3859 6.3859 6.3859 7.6281 7.6281 7.6281 7.6281 8.0950 8.0950 8.0950 8.0950 8.5946 8.5946 8.5946 8.5946 8.9614 8.9614 8.9614 8.9614 9.3468 9.3468 9.3468 9.3468 11.3231 11.3231 11.3231 11.3231 12.5190 12.5190 12.5190 12.5190 k = 0.0000 0.3702-0.0000 ( 3672 PWs) bands (ev): -4.4941 -4.4941 -3.4515 -3.4515 -1.6414 -1.6414 1.1254 1.1254 3.2433 3.2433 3.3480 3.3480 6.1278 6.1278 6.3856 6.3856 6.4408 6.4408 6.9573 6.9573 7.6989 7.6989 8.0733 8.0733 8.0803 8.0803 8.3133 8.3133 8.4379 8.4379 8.5976 8.5976 8.8802 8.8802 9.4629 9.4629 9.5048 9.5048 10.2886 10.2886 11.0693 11.0693 11.2269 11.2269 11.7407 11.7407 12.7923 12.7923 k = 0.0000 0.3702 0.0114 ( 3668 PWs) bands (ev): -4.4933 -4.4933 -3.4522 -3.4522 -1.6409 -1.6409 1.1174 1.1174 3.2486 3.2486 3.3544 3.3544 6.1280 6.1280 6.3833 6.3833 6.4402 6.4402 6.9559 6.9559 7.7012 7.7012 8.0750 8.0750 8.0817 8.0817 8.3125 8.3125 8.4385 8.4385 8.5976 8.5976 8.8802 8.8802 9.4625 9.4625 9.5032 9.5032 10.2859 10.2859 11.0673 11.0673 11.2290 11.2290 11.7442 11.7442 12.7914 12.7914 k = 0.0000 0.3702 0.0228 ( 3674 PWs) bands (ev): -4.4907 -4.4907 -3.4543 -3.4543 -1.6393 -1.6393 1.0937 1.0937 3.2631 3.2631 3.3742 3.3742 6.1283 6.1283 6.3761 6.3761 6.4384 6.4384 6.9515 6.9515 7.7080 7.7080 8.0795 8.0795 8.0859 8.0859 8.3102 8.3102 8.4399 8.4399 8.5977 8.5977 8.8801 8.8801 9.4611 9.4611 9.4982 9.4982 10.2778 10.2778 11.0614 11.0614 11.2351 11.2351 11.7546 11.7546 12.7885 12.7885 k = 0.0000 0.3702 0.0343 ( 3666 PWs) bands (ev): -4.4865 -4.4865 -3.4577 -3.4577 -1.6367 -1.6367 1.0555 1.0555 3.2839 3.2839 3.4093 3.4093 6.1289 6.1289 6.3643 6.3643 6.4355 6.4355 6.9444 6.9444 7.7192 7.7192 8.0864 8.0864 8.0933 8.0933 8.3066 8.3066 8.4423 8.4423 8.5979 8.5979 8.8802 8.8802 9.4587 9.4587 9.4903 9.4903 10.2646 10.2646 11.0513 11.0513 11.2455 11.2455 11.7718 11.7718 12.7833 12.7833 k = 0.0000 0.3702 0.0457 ( 3664 PWs) bands (ev): -4.4806 -4.4806 -3.4627 -3.4627 -1.6328 -1.6328 1.0045 1.0045 3.3083 3.3083 3.4604 3.4604 6.1297 6.1297 6.3480 6.3480 6.4317 6.4317 6.9348 6.9348 7.7343 7.7343 8.0949 8.0949 8.1035 8.1035 8.3023 8.3023 8.4458 8.4458 8.5981 8.5981 8.8807 8.8807 9.4551 9.4551 9.4798 9.4798 10.2467 10.2467 11.0371 11.0371 11.2601 11.2601 11.7951 11.7951 12.7754 12.7754 k = 0.0000 0.3702 0.0571 ( 3662 PWs) bands (ev): -4.4731 -4.4731 -3.4690 -3.4690 -1.6277 -1.6277 0.9429 0.9429 3.3356 3.3356 3.5259 3.5259 6.1308 6.1308 6.3273 6.3273 6.4269 6.4269 6.9230 6.9230 7.7530 7.7530 8.1049 8.1049 8.1153 8.1153 8.2983 8.2983 8.4504 8.4504 8.5981 8.5981 8.8821 8.8821 9.4492 9.4492 9.4680 9.4680 10.2246 10.2246 11.0188 11.0188 11.2785 11.2785 11.8242 11.8242 12.7639 12.7639 k = 0.0000 0.3702 0.0685 ( 3662 PWs) bands (ev): -4.4639 -4.4639 -3.4769 -3.4769 -1.6211 -1.6211 0.8724 0.8724 3.3658 3.3658 3.6035 3.6035 6.1320 6.1320 6.3026 6.3026 6.4214 6.4214 6.9092 6.9092 7.7747 7.7747 8.1155 8.1155 8.1273 8.1273 8.2962 8.2962 8.4559 8.4559 8.5980 8.5980 8.8850 8.8850 9.4387 9.4387 9.4578 9.4578 10.1987 10.1987 10.9967 10.9967 11.3006 11.3006 11.8584 11.8584 12.7478 12.7478 k = 0.0000 0.3702 0.0799 ( 3670 PWs) bands (ev): -4.4531 -4.4531 -3.4863 -3.4863 -1.6129 -1.6129 0.7950 0.7950 3.3995 3.3995 3.6905 3.6905 6.1335 6.1335 6.2743 6.2743 6.4151 6.4151 6.8937 6.8937 7.7990 7.7990 8.1241 8.1241 8.1398 8.1398 8.2979 8.2979 8.4624 8.4624 8.5974 8.5974 8.8898 8.8898 9.4227 9.4227 9.4504 9.4504 10.1696 10.1696 10.9711 10.9711 11.3257 11.3257 11.8972 11.8972 12.7261 12.7261 k = 0.0000 0.3702 0.0913 ( 3658 PWs) bands (ev): -4.4407 -4.4407 -3.4973 -3.4973 -1.6030 -1.6030 0.7122 0.7122 3.4367 3.4367 3.7846 3.7846 6.1352 6.1352 6.2431 6.2431 6.4081 6.4081 6.8768 6.8768 7.8253 7.8253 8.1267 8.1267 8.1546 8.1546 8.3051 8.3051 8.4699 8.4699 8.5965 8.5965 8.8974 8.8974 9.4036 9.4036 9.4443 9.4443 10.1378 10.1378 10.9422 10.9422 11.3537 11.3537 11.9399 11.9399 12.6973 12.6973 k = 0.0000 0.3702 0.1028 ( 3660 PWs) bands (ev): -4.4267 -4.4267 -3.5099 -3.5099 -1.5911 -1.5911 0.6255 0.6255 3.4777 3.4777 3.8837 3.8837 6.1368 6.1368 6.2095 6.2095 6.4006 6.4006 6.8587 6.8587 7.8532 7.8532 8.1222 8.1222 8.1719 8.1719 8.3179 8.3179 8.4782 8.4782 8.5945 8.5945 8.9081 8.9081 9.3831 9.3831 9.4383 9.4383 10.1038 10.1038 10.9106 10.9106 11.3840 11.3840 11.9858 11.9858 12.6600 12.6600 k = 0.0000 0.3702 0.1142 ( 3662 PWs) bands (ev): -4.4112 -4.4112 -3.5241 -3.5241 -1.5770 -1.5770 0.5360 0.5360 3.5222 3.5222 3.9861 3.9861 6.1376 6.1376 6.1750 6.1750 6.3924 6.3924 6.8394 6.8394 7.8819 7.8819 8.1121 8.1121 8.1913 8.1913 8.3349 8.3349 8.4872 8.4872 8.5916 8.5916 8.9228 8.9228 9.3623 9.3623 9.4324 9.4324 10.0679 10.0679 10.8765 10.8765 11.4163 11.4163 12.0342 12.0342 12.6132 12.6132 k = 0.0000 0.3702 0.1256 ( 3670 PWs) bands (ev): -4.3942 -4.3942 -3.5399 -3.5399 -1.5607 -1.5607 0.4446 0.4446 3.5702 3.5702 4.0900 4.0900 6.1275 6.1275 6.1503 6.1503 6.3838 6.3838 6.8191 6.8191 7.9108 7.9108 8.0983 8.0983 8.2123 8.2123 8.3540 8.3540 8.4968 8.4968 8.5872 8.5872 8.9419 8.9419 9.3421 9.3421 9.4264 9.4264 10.0306 10.0306 10.8403 10.8403 11.4504 11.4504 12.0841 12.0841 12.5563 12.5563 k = 0.0000 0.3702 0.1370 ( 3666 PWs) bands (ev): -4.3757 -4.3757 -3.5574 -3.5574 -1.5418 -1.5418 0.3521 0.3521 3.6216 3.6216 4.1938 4.1938 6.0941 6.0941 6.1486 6.1486 6.3748 6.3748 6.7978 6.7978 7.9392 7.9392 8.0829 8.0829 8.2346 8.2346 8.3731 8.3731 8.5068 8.5068 8.5815 8.5815 8.9658 8.9658 9.3236 9.3236 9.4207 9.4207 9.9923 9.9923 10.8025 10.8025 11.4859 11.4859 12.1336 12.1336 12.4904 12.4904 k = 0.0000 0.3702 0.1484 ( 3658 PWs) bands (ev): -4.3558 -4.3558 -3.5765 -3.5765 -1.5204 -1.5204 0.2591 0.2591 3.6760 3.6760 4.2959 4.2959 6.0573 6.0573 6.1510 6.1510 6.3654 6.3654 6.7754 6.7754 7.9654 7.9654 8.0680 8.0680 8.2581 8.2581 8.3907 8.3907 8.5165 8.5165 8.5747 8.5747 8.9946 8.9946 9.3077 9.3077 9.4155 9.4155 9.9533 9.9533 10.7638 10.7638 11.5227 11.5227 12.1780 12.1780 12.4200 12.4200 k = 0.0000 0.3702 0.1598 ( 3666 PWs) bands (ev): -4.3346 -4.3346 -3.5971 -3.5971 -1.4961 -1.4961 0.1663 0.1663 3.7332 3.7332 4.3945 4.3945 6.0214 6.0214 6.1543 6.1543 6.3558 6.3558 6.7519 6.7519 7.9861 7.9861 8.0574 8.0574 8.2825 8.2825 8.4056 8.4056 8.5241 8.5241 8.5682 8.5682 9.0279 9.0279 9.2953 9.2953 9.4110 9.4110 9.9137 9.9137 10.7246 10.7246 11.5605 11.5605 12.1985 12.1985 12.3645 12.3645 k = 0.0000 0.3702 0.1713 ( 3666 PWs) bands (ev): -4.3120 -4.3120 -3.6193 -3.6193 -1.4689 -1.4689 0.0740 0.0740 3.7931 3.7931 4.4876 4.4876 5.9884 5.9884 6.1580 6.1580 6.3460 6.3460 6.7272 6.7272 7.9946 7.9946 8.0581 8.0581 8.3075 8.3075 8.4172 8.4172 8.5255 8.5255 8.5664 8.5664 9.0651 9.0651 9.2873 9.2873 9.4079 9.4079 9.8741 9.8741 10.6858 10.6858 11.5986 11.5986 12.1557 12.1557 12.3646 12.3646 k = 0.0000 0.3702 0.1827 ( 3662 PWs) bands (ev): -4.2882 -4.2882 -3.6430 -3.6430 -1.4387 -1.4387 -0.0175 -0.0175 3.8552 3.8552 4.5728 4.5728 5.9601 5.9601 6.1622 6.1622 6.3361 6.3361 6.7012 6.7012 7.9897 7.9897 8.0709 8.0709 8.3331 8.3331 8.4250 8.4250 8.5183 8.5183 8.5719 8.5719 9.1048 9.1048 9.2844 9.2844 9.4068 9.4068 9.8346 9.8346 10.6482 10.6482 11.6359 11.6359 12.0676 12.0676 12.4042 12.4042 k = 0.0000 0.3702 0.1941 ( 3666 PWs) bands (ev): -4.2633 -4.2633 -3.6680 -3.6680 -1.4055 -1.4055 -0.1077 -0.1077 3.9193 3.9193 4.6475 4.6475 5.9386 5.9386 6.1668 6.1668 6.3261 6.3261 6.6735 6.6735 7.9798 7.9798 8.0875 8.0875 8.3587 8.3587 8.4288 8.4288 8.5063 8.5063 8.5812 8.5812 9.1450 9.1450 9.2871 9.2871 9.4086 9.4086 9.7956 9.7956 10.6129 10.6129 11.6693 11.6693 11.9677 11.9677 12.4538 12.4538 k = 0.0000 0.3702 0.2055 ( 3678 PWs) bands (ev): -4.2372 -4.2372 -3.6943 -3.6943 -1.3690 -1.3690 -0.1964 -0.1964 3.9852 3.9852 4.7092 4.7092 5.9261 5.9261 6.1717 6.1717 6.3160 6.3160 6.6440 6.6440 7.9697 7.9697 8.1023 8.1023 8.3839 8.3839 8.4286 8.4286 8.4941 8.4941 8.5911 8.5911 9.1833 9.1833 9.2953 9.2953 9.4146 9.4146 9.7573 9.7573 10.5815 10.5815 11.6853 11.6853 11.8784 11.8784 12.5039 12.5039 k = 0.0000 0.3702 0.2169 ( 3674 PWs) bands (ev): -4.2101 -4.2101 -3.7218 -3.7218 -1.3294 -1.3294 -0.2834 -0.2834 4.0524 4.0524 4.7554 4.7554 5.9247 5.9247 6.1769 6.1769 6.3061 6.3061 6.6124 6.6124 7.9614 7.9614 8.1129 8.1129 8.4067 8.4067 8.4263 8.4263 8.4843 8.4843 8.6003 8.6003 9.2173 9.2173 9.3081 9.3081 9.4265 9.4265 9.7203 9.7203 10.5556 10.5556 11.6444 11.6444 11.8432 11.8432 12.5472 12.5472 k = 0.0000 0.3702 0.2283 ( 3680 PWs) bands (ev): -4.1821 -4.1821 -3.7503 -3.7503 -1.2866 -1.2866 -0.3685 -0.3685 4.1205 4.1205 4.7843 4.7843 5.9358 5.9358 6.1825 6.1825 6.2963 6.2963 6.5784 6.5784 7.9557 7.9557 8.1176 8.1176 8.4130 8.4130 8.4366 8.4366 8.4784 8.4784 8.6078 8.6078 9.2463 9.2463 9.3233 9.3233 9.4446 9.4446 9.6849 9.6849 10.5372 10.5372 11.5471 11.5471 11.8638 11.8638 12.5693 12.5693 k = 0.0000 0.3702 0.2398 ( 3680 PWs) bands (ev): -4.1532 -4.1532 -3.7797 -3.7797 -1.2405 -1.2405 -0.4515 -0.4515 4.1894 4.1894 4.7954 4.7954 5.9594 5.9594 6.1884 6.1884 6.2866 6.2866 6.5419 6.5419 7.9532 7.9532 8.1155 8.1155 8.4084 8.4084 8.4520 8.4520 8.4799 8.4799 8.6132 8.6132 9.2711 9.2711 9.3389 9.3389 9.4672 9.4672 9.6517 9.6517 10.5287 10.5287 11.4324 11.4324 11.9031 11.9031 12.5524 12.5524 k = 0.0000 0.3702 0.2512 ( 3676 PWs) bands (ev): -4.1235 -4.1235 -3.8099 -3.8099 -1.1912 -1.1912 -0.5323 -0.5323 4.2584 4.2584 4.7897 4.7897 5.9942 5.9942 6.1947 6.1947 6.2771 6.2771 6.5024 6.5024 7.9541 7.9541 8.1068 8.1068 8.4054 8.4054 8.4549 8.4549 8.4948 8.4948 8.6160 8.6160 9.2930 9.2930 9.3538 9.3538 9.4903 9.4903 9.6215 9.6215 10.5327 10.5327 11.3140 11.3140 11.9488 11.9488 12.5070 12.5070 k = 0.0000 0.3702 0.2626 ( 3676 PWs) bands (ev): -4.0932 -4.0932 -3.8407 -3.8407 -1.1388 -1.1388 -0.6107 -0.6107 4.3271 4.3271 4.7691 4.7691 6.0379 6.0379 6.2013 6.2013 6.2680 6.2680 6.4600 6.4600 7.9587 7.9587 8.0922 8.0922 8.4054 8.4054 8.4515 8.4515 8.5150 8.5150 8.6160 8.6160 9.3129 9.3129 9.3677 9.3677 9.5096 9.5096 9.5955 9.5955 10.5512 10.5512 11.1966 11.1966 11.9979 11.9979 12.4511 12.4511 k = 0.0000 0.3702 0.2740 ( 3672 PWs) bands (ev): -4.0623 -4.0623 -3.8720 -3.8720 -1.0832 -1.0832 -0.6865 -0.6865 4.3949 4.3949 4.7361 4.7361 6.0877 6.0877 6.2082 6.2082 6.2592 6.2592 6.4145 6.4145 7.9669 7.9669 8.0736 8.0736 8.4083 8.4083 8.4462 8.4462 8.5352 8.5352 8.6129 8.6129 9.3312 9.3312 9.3792 9.3792 9.5227 9.5227 9.5751 9.5751 10.5857 10.5857 11.0827 11.0827 12.0495 12.0495 12.3920 12.3920 k = 0.0000 0.3702 0.2854 ( 3674 PWs) bands (ev): -4.0310 -4.0310 -3.9037 -3.9037 -1.0244 -1.0244 -0.7597 -0.7597 4.4613 4.4613 4.6932 4.6932 6.1404 6.1404 6.2153 6.2153 6.2514 6.2514 6.3663 6.3663 7.9787 7.9787 8.0529 8.0529 8.4133 8.4133 8.4401 8.4401 8.5541 8.5541 8.6068 8.6068 9.3483 9.3483 9.3855 9.3855 9.5299 9.5299 9.5608 9.5608 10.6363 10.6363 10.9743 10.9743 12.1030 12.1030 12.3324 12.3324 k = 0.0000 0.3702 0.2969 ( 3670 PWs) bands (ev): -3.9993 -3.9993 -3.9355 -3.9355 -0.9627 -0.9627 -0.8302 -0.8302 4.5254 4.5254 4.6427 4.6427 6.1905 6.1905 6.2218 6.2218 6.2478 6.2478 6.3164 6.3164 7.9939 7.9939 8.0319 8.0319 8.4196 8.4196 8.4333 8.4333 8.5711 8.5711 8.5977 8.5977 9.3638 9.3638 9.3846 9.3846 9.5353 9.5353 9.5506 9.5506 10.7024 10.7024 10.8735 10.8735 12.1582 12.1582 12.2732 12.2732 k = 0.0000 0.3702 0.3083 ( 3668 PWs) bands (ev): -3.9675 -3.9675 -3.9675 -3.9675 -0.8979 -0.8979 -0.8979 -0.8979 4.5862 4.5862 4.5862 4.5862 6.2196 6.2196 6.2196 6.2196 6.2692 6.2692 6.2692 6.2692 8.0118 8.0118 8.0118 8.0118 8.4264 8.4264 8.4264 8.4264 8.5857 8.5857 8.5857 8.5857 9.3766 9.3766 9.3766 9.3766 9.5422 9.5422 9.5422 9.5422 10.7822 10.7822 10.7822 10.7822 12.2150 12.2150 12.2150 12.2150 k = 0.5000-0.0000 0.3083 ( 3612 PWs) bands (ev): -3.6735 -3.6735 -3.6711 -3.6711 0.6755 0.6755 0.6776 0.6776 3.8503 3.8503 3.8816 3.8816 5.3246 5.3246 5.3657 5.3657 6.0448 6.0448 6.0827 6.0827 6.8227 6.8227 6.8288 6.8288 8.0139 8.0139 8.0688 8.0688 8.2927 8.2927 8.3122 8.3122 8.4067 8.4067 8.4081 8.4081 8.9741 8.9741 8.9760 8.9760 9.9857 9.9857 10.0242 10.0242 11.6395 11.6395 11.7172 11.7172 k = 0.5000-0.0000 0.2969 ( 3618 PWs) bands (ev): -3.6738 -3.6738 -3.6715 -3.6713 0.6765 0.6766 0.6783 0.6788 3.8493 3.8525 3.8820 3.8822 5.3227 5.3241 5.3644 5.3649 6.0433 6.0449 6.0809 6.0831 6.8182 6.8289 6.8311 6.8325 7.9994 8.0119 8.0510 8.0684 8.2851 8.2856 8.2932 8.3120 8.4034 8.4188 8.4239 8.4392 8.9723 8.9744 8.9766 8.9781 9.9869 9.9895 10.0256 10.0273 11.6379 11.6414 11.7152 11.7193 k = 0.5000-0.0000 0.2854 ( 3622 PWs) bands (ev): -3.6745 -3.6745 -3.6723 -3.6719 0.6795 0.6798 0.6812 0.6821 3.8495 3.8558 3.8834 3.8837 5.3183 5.3212 5.3609 5.3619 6.0406 6.0436 6.0778 6.0819 6.8174 6.8331 6.8398 6.8432 7.9696 7.9926 8.0167 8.0491 8.2716 8.2734 8.2738 8.2932 8.4294 8.4482 8.4553 8.4812 8.9712 8.9733 8.9797 8.9806 9.9931 9.9982 10.0315 10.0350 11.6364 11.6434 11.7135 11.7217 k = 0.5000-0.0000 0.2740 ( 3628 PWs) bands (ev): -3.6758 -3.6757 -3.6737 -3.6731 0.6844 0.6849 0.6860 0.6874 3.8509 3.8603 3.8858 3.8862 5.3117 5.3159 5.3554 5.3568 6.0368 6.0406 6.0735 6.0792 6.8201 6.8413 6.8501 6.8588 7.9268 7.9568 7.9688 8.0126 8.2600 8.2630 8.2642 8.2760 8.4643 8.4845 8.4911 8.5247 8.9709 8.9728 8.9835 8.9836 10.0042 10.0115 10.0417 10.0470 11.6351 11.6455 11.7120 11.7242 k = 0.5000-0.0000 0.2626 ( 3640 PWs) bands (ev): -3.6775 -3.6774 -3.6755 -3.6747 0.6913 0.6919 0.6927 0.6946 3.8534 3.8660 3.8893 3.8896 5.3030 5.3085 5.3480 5.3497 6.0320 6.0358 6.0679 6.0747 6.8258 6.8532 6.8626 6.8775 7.8742 7.9072 7.9110 7.9635 8.2525 8.2599 8.2609 8.2661 8.5004 8.5220 8.5268 8.5669 8.9714 8.9730 8.9870 8.9879 10.0198 10.0292 10.0559 10.0631 11.6339 11.6477 11.7106 11.7268 k = 0.5000-0.0000 0.2512 ( 3640 PWs) bands (ev): -3.6797 -3.6795 -3.6778 -3.6768 0.7000 0.7008 0.7013 0.7036 3.8571 3.8730 3.8938 3.8940 5.2923 5.2991 5.3391 5.3408 6.0263 6.0292 6.0612 6.0684 6.8339 6.8686 6.8765 6.8988 7.8154 7.8466 7.8478 7.9070 8.2499 8.2596 8.2628 8.2639 8.5351 8.5582 8.5603 8.6063 8.9728 8.9740 8.9909 8.9929 10.0397 10.0508 10.0739 10.0831 11.6327 11.6500 11.7094 11.7294 k = 0.5000-0.0000 0.2398 ( 3634 PWs) bands (ev): -3.6822 -3.6820 -3.6805 -3.6792 0.7105 0.7114 0.7117 0.7143 3.8621 3.8813 3.8995 3.8995 5.2801 5.2880 5.3287 5.3303 6.0196 6.0206 6.0532 6.0601 6.8435 6.8869 6.8905 6.9222 7.7539 7.7785 7.7824 7.8468 8.2512 8.2626 8.2646 8.2703 8.5674 8.5910 8.5920 8.6425 8.9751 8.9758 8.9952 8.9986 10.0635 10.0760 10.0954 10.1064 11.6316 11.6522 11.7081 11.7320 k = 0.5000-0.0000 0.2283 ( 3626 PWs) bands (ev): -3.6852 -3.6849 -3.6836 -3.6821 0.7226 0.7236 0.7236 0.7266 3.8683 3.8908 3.9060 3.9063 5.2664 5.2754 5.3172 5.3185 6.0099 6.0118 6.0439 6.0499 6.8534 6.9031 6.9072 6.9467 7.6928 7.7088 7.7141 7.7862 8.2553 8.2681 8.2699 8.2791 8.5969 8.6185 8.6230 8.6750 8.9785 8.9786 8.9999 9.0047 10.0906 10.1041 10.1198 10.1327 11.6302 11.6542 11.7068 11.7343 k = 0.5000-0.0000 0.2169 ( 3622 PWs) bands (ev): -3.6884 -3.6881 -3.6870 -3.6854 0.7361 0.7370 0.7373 0.7404 3.8758 3.9017 3.9135 3.9144 5.2516 5.2618 5.3048 5.3056 5.9969 6.0026 6.0329 6.0375 6.8625 6.9124 6.9285 6.9713 7.6350 7.6397 7.6456 7.7276 8.2616 8.2755 8.2777 8.2894 8.6234 8.6429 8.6509 8.7039 8.9824 8.9829 9.0051 9.0115 10.1208 10.1347 10.1468 10.1617 11.6285 11.6559 11.7051 11.7363 k = 0.5000-0.0000 0.2055 ( 3618 PWs) bands (ev): -3.6920 -3.6916 -3.6906 -3.6889 0.7509 0.7517 0.7522 0.7553 3.8845 3.9140 3.9221 3.9237 5.2361 5.2473 5.2918 5.2920 5.9817 5.9919 6.0203 6.0228 6.8690 6.9163 6.9495 6.9944 7.5734 7.5792 7.5839 7.6735 8.2696 8.2845 8.2873 8.3010 8.6472 8.6643 8.6756 8.7290 8.9874 8.9885 9.0108 9.0187 10.1534 10.1674 10.1762 10.1927 11.6264 11.6572 11.7030 11.7378 k = 0.5000-0.0000 0.1941 ( 3622 PWs) bands (ev): -3.6958 -3.6954 -3.6945 -3.6926 0.7667 0.7675 0.7682 0.7714 3.8946 3.9277 3.9317 3.9343 5.2199 5.2322 5.2779 5.2784 5.9639 5.9793 6.0056 6.0057 6.8715 6.9124 6.9683 7.0139 7.5128 7.5178 7.5423 7.6261 8.2789 8.2947 8.2981 8.3132 8.6682 8.6829 8.6974 8.7506 8.9936 8.9951 9.0169 9.0264 10.1883 10.2018 10.2075 10.2257 11.6234 11.6576 11.7002 11.7384 k = 0.5000-0.0000 0.1827 ( 3628 PWs) bands (ev): -3.6997 -3.6993 -3.6986 -3.6966 0.7835 0.7842 0.7851 0.7882 3.9059 3.9424 3.9427 3.9463 5.2036 5.2169 5.2635 5.2649 5.9434 5.9643 5.9859 5.9886 6.8684 6.8993 6.9824 7.0268 7.4614 7.4644 7.5128 7.5875 8.2892 8.3058 8.3099 8.3260 8.6868 8.6990 8.7164 8.7688 9.0011 9.0030 9.0236 9.0346 10.2251 10.2376 10.2406 10.2603 11.6195 11.6571 11.6964 11.7380 k = 0.5000-0.0000 0.1713 ( 3644 PWs) bands (ev): -3.7038 -3.7033 -3.7028 -3.7007 0.8008 0.8015 0.8026 0.8057 3.9186 3.9542 3.9591 3.9596 5.1872 5.2017 5.2491 5.2516 5.9202 5.9467 5.9634 5.9691 6.8587 6.8766 6.9889 7.0297 7.4225 7.4231 7.4960 7.5591 8.3002 8.3177 8.3222 8.3389 8.7031 8.7128 8.7327 8.7838 9.0098 9.0119 9.0308 9.0432 10.2635 10.2747 10.2754 10.2963 11.6142 11.6553 11.6912 11.7360 k = 0.5000-0.0000 0.1598 ( 3640 PWs) bands (ev): -3.7080 -3.7074 -3.7071 -3.7049 0.8186 0.8192 0.8205 0.8236 3.9325 3.9670 3.9742 3.9768 5.1710 5.1868 5.2350 5.2387 5.8942 5.9259 5.9381 5.9469 6.8424 6.8459 6.9850 7.0197 7.3952 7.4011 7.4914 7.5415 8.3118 8.3300 8.3349 8.3518 8.7175 8.7248 8.7469 8.7962 9.0198 9.0219 9.0386 9.0521 10.3036 10.3119 10.3129 10.3337 11.6071 11.6516 11.6840 11.7319 k = 0.5000-0.0000 0.1484 ( 3640 PWs) bands (ev): -3.7121 -3.7114 -3.7113 -3.7090 0.8366 0.8372 0.8386 0.8416 3.9475 3.9808 3.9902 3.9958 5.1554 5.1724 5.2212 5.2262 5.8653 5.9017 5.9098 5.9218 6.8098 6.8202 6.9700 6.9973 7.3834 7.3954 7.4967 7.5340 8.3237 8.3425 8.3476 8.3644 8.7299 8.7350 8.7589 8.8060 9.0307 9.0328 9.0470 9.0614 10.3452 10.3500 10.3523 10.3724 11.5976 11.6457 11.6744 11.7250 k = 0.5000-0.0000 0.1370 ( 3650 PWs) bands (ev): -3.7163 -3.7156 -3.7155 -3.7132 0.8546 0.8551 0.8566 0.8595 3.9637 3.9954 4.0074 4.0158 5.1405 5.1589 5.2081 5.2145 5.8337 5.8738 5.8787 5.8938 6.7713 6.7937 6.9458 6.9661 7.3854 7.4026 7.5093 7.5352 8.3356 8.3550 8.3602 8.3765 8.7406 8.7437 8.7691 8.8135 9.0425 9.0443 9.0558 9.0708 10.3884 10.3896 10.3926 10.4124 11.5851 11.6369 11.6615 11.7143 k = 0.5000-0.0000 0.1256 ( 3650 PWs) bands (ev): -3.7203 -3.7197 -3.7194 -3.7173 0.8722 0.8727 0.8744 0.8771 3.9808 4.0108 4.0257 4.0368 5.1265 5.1464 5.1956 5.2037 5.7997 5.8422 5.8450 5.8630 6.7332 6.7648 6.9161 6.9305 7.3974 7.4182 7.5269 7.5433 8.3475 8.3673 8.3723 8.3879 8.7498 8.7512 8.7778 8.8194 9.0547 9.0564 9.0651 9.0803 10.4310 10.4331 10.4341 10.4537 11.5690 11.6244 11.6446 11.6988 k = 0.5000-0.0000 0.1142 ( 3650 PWs) bands (ev): -3.7241 -3.7236 -3.7232 -3.7212 0.8893 0.8897 0.8915 0.8941 3.9986 4.0266 4.0449 4.0585 5.1137 5.1352 5.1840 5.1938 5.7638 5.8072 5.8090 5.8297 6.6972 6.7352 6.8843 6.8942 7.4158 7.4385 7.5474 7.5564 8.3591 8.3792 8.3839 8.3984 8.7575 8.7576 8.7853 8.8236 9.0673 9.0688 9.0748 9.0899 10.4741 10.4767 10.4794 10.4962 11.5484 11.6074 11.6227 11.6771 k = 0.5000-0.0000 0.1028 ( 3654 PWs) bands (ev): -3.7278 -3.7273 -3.7267 -3.7249 0.9056 0.9060 0.9079 0.9103 4.0169 4.0427 4.0649 4.0805 5.1024 5.1255 5.1732 5.1850 5.7267 5.7694 5.7714 5.7942 6.6649 6.7062 6.8531 6.8596 7.4377 7.4609 7.5693 7.5727 8.3703 8.3904 8.3948 8.4078 8.7630 8.7641 8.7916 8.8266 9.0798 9.0812 9.0845 9.0992 10.5191 10.5205 10.5275 10.5401 11.5225 11.5851 11.5952 11.6478 k = 0.5000-0.0000 0.0913 ( 3650 PWs) bands (ev): -3.7312 -3.7308 -3.7300 -3.7284 0.9209 0.9213 0.9233 0.9255 4.0354 4.0587 4.0853 4.1024 5.0928 5.1175 5.1633 5.1771 5.6894 5.7298 5.7329 5.7574 6.6369 6.6791 6.8240 6.8280 7.4610 7.4836 7.5908 7.5913 8.3810 8.4008 8.4048 8.4161 8.7676 8.7695 8.7971 8.8286 9.0920 9.0933 9.0943 9.1082 10.5655 10.5661 10.5775 10.5854 11.4908 11.5569 11.5616 11.6101 k = 0.5000-0.0000 0.0799 ( 3658 PWs) bands (ev): -3.7343 -3.7340 -3.7330 -3.7316 0.9349 0.9353 0.9374 0.9394 4.0536 4.0743 4.1057 4.1237 5.0850 5.1113 5.1542 5.1701 5.6528 5.6895 5.6945 5.7199 6.6134 6.6543 6.7979 6.8001 7.4841 7.5054 7.6093 7.6125 8.3909 8.4102 8.4137 8.4231 8.7714 8.7738 8.8019 8.8297 9.1036 9.1038 9.1047 9.1166 10.6117 10.6150 10.6294 10.6318 11.4530 11.5218 11.5225 11.5637 k = 0.5000-0.0000 0.0685 ( 3662 PWs) bands (ev): -3.7371 -3.7368 -3.7357 -3.7344 0.9476 0.9479 0.9502 0.9519 4.0711 4.0891 4.1257 4.1438 5.0795 5.1073 5.1457 5.1638 5.6183 5.6501 5.6571 5.6827 6.5945 6.6322 6.7752 6.7763 7.5062 7.5254 7.6274 7.6320 8.4001 8.4187 8.4216 8.4289 8.7746 8.7773 8.8061 8.8302 9.1129 9.1144 9.1154 9.1243 10.6589 10.6660 10.6791 10.6833 11.4093 11.4767 11.4823 11.5094 k = 0.5000-0.0000 0.0571 ( 3662 PWs) bands (ev): -3.7395 -3.7393 -3.7380 -3.7369 0.9586 0.9588 0.9613 0.9627 4.0874 4.1026 4.1447 4.1620 5.0763 5.1054 5.1376 5.1580 5.5873 5.6133 5.6220 5.6469 6.5798 6.6130 6.7562 6.7565 7.5263 7.5430 7.6441 7.6493 8.4085 8.4259 8.4284 8.4333 8.7774 8.7800 8.8098 8.8300 9.1212 9.1240 9.1249 9.1311 10.7068 10.7187 10.7268 10.7389 11.3604 11.4278 11.4374 11.4489 k = 0.5000-0.0000 0.0457 ( 3660 PWs) bands (ev): -3.7415 -3.7413 -3.7399 -3.7391 0.9678 0.9680 0.9706 0.9718 4.1020 4.1142 4.1621 4.1776 5.0757 5.1057 5.1296 5.1522 5.5612 5.5808 5.5903 5.6137 6.5691 6.5967 6.7407 6.7408 7.5438 7.5576 7.6588 7.6639 8.4160 8.4320 8.4339 8.4364 8.7796 8.7820 8.8131 8.8294 9.1286 9.1322 9.1330 9.1367 10.7544 10.7730 10.7738 10.7958 11.3078 11.3775 11.3844 11.3898 k = 0.5000-0.0000 0.0343 ( 3666 PWs) bands (ev): -3.7431 -3.7430 -3.7414 -3.7408 0.9752 0.9753 0.9780 0.9789 4.1144 4.1236 4.1772 4.1900 5.0776 5.1082 5.1215 5.1462 5.5415 5.5542 5.5633 5.5841 6.5620 6.5833 6.7286 6.7290 7.5584 7.5690 7.6711 7.6754 8.4225 8.4368 8.4381 8.4382 8.7814 8.7833 8.8161 8.8284 9.1348 9.1389 9.1395 9.1410 10.8002 10.8180 10.8279 10.8528 11.2538 11.3183 11.3291 11.3423 k = 0.5000-0.0000 0.0228 ( 3674 PWs) bands (ev): -3.7442 -3.7442 -3.7425 -3.7420 0.9805 0.9806 0.9835 0.9841 4.1241 4.1302 4.1894 4.1985 5.0819 5.1126 5.1130 5.1396 5.5292 5.5349 5.5422 5.5594 6.5582 6.5727 6.7202 6.7205 7.5695 7.5767 7.6804 7.6835 8.4279 8.4385 8.4403 8.4412 8.7827 8.7841 8.8188 8.8270 9.1397 9.1438 9.1439 9.1442 10.8413 10.8558 10.8816 10.9068 11.2028 11.2539 11.2872 11.2990 k = 0.5000-0.0000 0.0114 ( 3674 PWs) bands (ev): -3.7449 -3.7449 -3.7430 -3.7428 0.9837 0.9838 0.9868 0.9871 4.1307 4.1337 4.1980 4.2027 5.0882 5.1044 5.1185 5.1326 5.5239 5.5249 5.5280 5.5406 6.5575 6.5648 6.7152 6.7154 7.5771 7.5807 7.6865 7.6881 8.4323 8.4377 8.4425 8.4430 8.7836 8.7843 8.8212 8.8253 9.1431 9.1452 9.1468 9.1470 10.8728 10.8813 10.9294 10.9487 11.1647 11.1968 11.2587 11.2660 k = 0.5000-0.0000-0.0000 ( 3678 PWs) bands (ev): -3.7451 -3.7451 -3.7432 -3.7432 0.9848 0.9848 0.9880 0.9880 4.1339 4.1339 4.2025 4.2025 5.0959 5.0959 5.1254 5.1254 5.5217 5.5217 5.5289 5.5289 6.5598 6.5598 6.7136 6.7136 7.5808 7.5808 7.6891 7.6891 8.4356 8.4356 8.4434 8.4434 8.7842 8.7842 8.8234 8.8234 9.1450 9.1450 9.1479 9.1479 10.8878 10.8878 10.9584 10.9584 11.1605 11.1605 11.2508 11.2508 k = 0.5000 0.3702-0.0000 ( 3656 PWs) bands (ev): -3.5519 -3.5519 -3.5490 -3.5490 0.4738 0.4738 0.4841 0.4841 4.4053 4.4053 4.4179 4.4179 5.0033 5.0033 5.1092 5.1092 5.3093 5.3093 5.3457 5.3457 6.4420 6.4420 6.6873 6.6873 7.2128 7.2128 7.2467 7.2467 8.5094 8.5094 8.5690 8.5690 8.7412 8.7412 8.7759 8.7759 8.9434 8.9434 8.9625 8.9625 10.4985 10.4985 10.5089 10.5089 12.3943 12.3943 12.5705 12.5705 k = 0.5000 0.3702 0.0114 ( 3656 PWs) bands (ev): -3.5518 -3.5518 -3.5490 -3.5488 0.4741 0.4742 0.4843 0.4846 4.3955 4.4024 4.4084 4.4144 4.9907 4.9951 5.0862 5.0998 5.3260 5.3277 5.3513 5.3655 6.4405 6.4553 6.6910 6.6919 7.2128 7.2166 7.2438 7.2526 8.5091 8.5111 8.5690 8.5695 8.7407 8.7427 8.7745 8.7773 8.9434 8.9435 8.9619 8.9633 10.4984 10.5012 10.5087 10.5114 12.3907 12.3975 12.5693 12.5712 k = 0.5000 0.3702 0.0228 ( 3652 PWs) bands (ev): -3.5513 -3.5513 -3.5486 -3.5482 0.4752 0.4753 0.4852 0.4858 4.3738 4.3865 4.3873 4.3982 4.9621 4.9678 5.0424 5.0656 5.3698 5.3698 5.3806 5.4053 6.4505 6.4798 6.7027 6.7047 7.2165 7.2242 7.2438 7.2616 8.5101 8.5140 8.5696 8.5707 8.7409 8.7449 8.7730 8.7786 8.9435 8.9436 8.9617 8.9644 10.5009 10.5065 10.5107 10.5162 12.3866 12.4001 12.5676 12.5714 k = 0.5000 0.3702 0.0343 ( 3656 PWs) bands (ev): -3.5505 -3.5504 -3.5479 -3.5473 0.4770 0.4771 0.4868 0.4877 4.3418 4.3541 4.3612 4.3709 4.9232 4.9271 4.9888 5.0190 5.4241 5.4271 5.4272 5.4582 6.4710 6.5146 6.7213 6.7252 7.2240 7.2359 7.2468 7.2738 8.5123 8.5183 8.5707 8.5725 8.7422 8.7478 8.7715 8.7799 8.9437 8.9439 8.9617 8.9657 10.5059 10.5144 10.5149 10.5231 12.3821 12.4023 12.5654 12.5710 k = 0.5000 0.3702 0.0457 ( 3648 PWs) bands (ev): -3.5493 -3.5493 -3.5469 -3.5461 0.4795 0.4797 0.4890 0.4902 4.3017 4.3133 4.3261 4.3345 4.8776 4.8780 4.9299 4.9655 5.4850 5.4854 5.4916 5.5193 6.5004 6.5579 6.7458 6.7525 7.2353 7.2517 7.2528 7.2891 8.5156 8.5238 8.5721 8.5747 8.7445 8.7517 8.7701 8.7813 8.9440 8.9443 8.9620 8.9673 10.5138 10.5216 10.5252 10.5324 12.3772 12.4040 12.5628 12.5701 k = 0.5000 0.3702 0.0571 ( 3648 PWs) bands (ev): -3.5479 -3.5479 -3.5456 -3.5446 0.4827 0.4829 0.4919 0.4934 4.2556 4.2665 4.2841 4.2914 4.8237 4.8271 4.8673 4.9075 5.5499 5.5512 5.5603 5.5855 6.5370 6.6081 6.7746 6.7851 7.2505 7.2618 7.2719 7.3078 8.5199 8.5304 8.5736 8.5773 8.7481 8.7565 8.7689 8.7829 8.9442 8.9449 8.9626 8.9692 10.5244 10.5308 10.5388 10.5441 12.3719 12.4051 12.5597 12.5687 k = 0.5000 0.3702 0.0685 ( 3656 PWs) bands (ev): -3.5462 -3.5462 -3.5441 -3.5428 0.4865 0.4867 0.4955 0.4972 4.2054 4.2157 4.2372 4.2437 4.7657 4.7728 4.8020 4.8459 5.6191 5.6198 5.6314 5.6545 6.5788 6.6634 6.8065 6.8219 7.2696 7.2738 7.2965 7.3297 8.5251 8.5379 8.5751 8.5801 8.7530 8.7622 8.7678 8.7846 8.9446 8.9456 8.9635 8.9714 10.5380 10.5427 10.5554 10.5583 12.3663 12.4058 12.5562 12.5667 k = 0.5000 0.3702 0.0799 ( 3656 PWs) bands (ev): -3.5442 -3.5442 -3.5422 -3.5408 0.4910 0.4911 0.4996 0.5016 4.1529 4.1624 4.1872 4.1932 4.7051 4.7155 4.7349 4.7818 5.6899 5.6909 5.7037 5.7250 6.6244 6.7222 6.8401 6.8614 7.2891 7.2928 7.3255 7.3551 8.5308 8.5462 8.5763 8.5830 8.7595 8.7672 8.7691 8.7868 8.9450 8.9465 8.9647 8.9739 10.5548 10.5576 10.5752 10.5753 12.3604 12.4059 12.5522 12.5641 k = 0.5000 0.3702 0.0913 ( 3648 PWs) bands (ev): -3.5420 -3.5420 -3.5402 -3.5386 0.4959 0.4961 0.5042 0.5064 4.0994 4.1082 4.1355 4.1414 4.6429 4.6560 4.6664 4.7159 5.7604 5.7637 5.7762 5.7956 6.6721 6.7829 6.8744 6.9023 7.3077 7.3202 7.3589 7.3838 8.5369 8.5548 8.5771 8.5857 8.7672 8.7677 8.7772 8.7896 8.9455 8.9476 8.9664 8.9767 10.5749 10.5755 10.5951 10.5986 12.3542 12.4055 12.5479 12.5609 k = 0.5000 0.3702 0.1028 ( 3652 PWs) bands (ev): -3.5396 -3.5395 -3.5379 -3.5362 0.5014 0.5015 0.5093 0.5117 4.0460 4.0540 4.0833 4.0893 4.5797 4.5949 4.5974 4.6491 5.8303 5.8363 5.8479 5.8654 6.7208 6.8443 6.9087 6.9436 7.3299 7.3517 7.3963 7.4157 8.5428 8.5632 8.5771 8.5880 8.7680 8.7777 8.7865 8.7933 8.9459 8.9490 8.9684 8.9798 10.5968 10.5987 10.6180 10.6255 12.3479 12.4046 12.5432 12.5572 k = 0.5000 0.3702 0.1142 ( 3656 PWs) bands (ev): -3.5370 -3.5369 -3.5355 -3.5336 0.5072 0.5074 0.5148 0.5174 3.9936 4.0007 4.0315 4.0380 4.5161 4.5283 4.5329 4.5821 5.8987 5.9076 5.9179 5.9334 6.7696 6.9049 6.9424 6.9845 7.3561 7.3871 7.4374 7.4507 8.5481 8.5711 8.5763 8.5895 8.7699 8.7894 8.7970 8.7981 8.9465 8.9505 8.9708 8.9832 10.6216 10.6261 10.6441 10.6562 12.3414 12.4033 12.5382 12.5528 k = 0.5000 0.3702 0.1256 ( 3660 PWs) bands (ev): -3.5343 -3.5342 -3.5329 -3.5309 0.5134 0.5136 0.5206 0.5233 3.9429 3.9489 3.9809 3.9882 4.4528 4.4598 4.4706 4.5154 5.9648 5.9768 5.9855 5.9989 6.8178 6.9636 6.9753 7.0242 7.3865 7.4264 7.4816 7.4886 8.5524 8.5743 8.5777 8.5902 8.7731 8.8028 8.8041 8.8087 8.9470 8.9523 8.9738 8.9869 10.6502 10.6576 10.6736 10.6908 12.3348 12.4013 12.5328 12.5477 k = 0.5000 0.3702 0.1370 ( 3660 PWs) bands (ev): -3.5315 -3.5313 -3.5302 -3.5281 0.5199 0.5200 0.5266 0.5295 3.8944 3.8994 3.9320 3.9403 4.3903 4.3924 4.4085 4.4496 6.0279 6.0430 6.0500 6.0611 6.8650 7.0073 7.0192 7.0625 7.4215 7.4690 7.5284 7.5292 8.5552 8.5713 8.5826 8.5899 8.7778 8.8116 8.8177 8.8213 8.9476 8.9544 8.9773 8.9907 10.6828 10.6933 10.7066 10.7294 12.3282 12.3988 12.5269 12.5419 k = 0.5000 0.3702 0.1484 ( 3664 PWs) bands (ev): -3.5286 -3.5284 -3.5275 -3.5253 0.5266 0.5267 0.5329 0.5359 3.8486 3.8523 3.8854 3.8950 4.3265 4.3292 4.3472 4.3853 6.0875 6.1056 6.1109 6.1196 6.9106 7.0383 7.0709 7.0989 7.4616 7.5148 7.5722 7.5774 8.5560 8.5669 8.5853 8.5883 8.7839 8.8203 8.8337 8.8346 8.9483 8.9567 8.9814 8.9948 10.7194 10.7331 10.7433 10.7720 12.3217 12.3957 12.5207 12.5353 k = 0.5000 0.3702 0.1598 ( 3672 PWs) bands (ev): -3.5257 -3.5254 -3.5247 -3.5224 0.5334 0.5334 0.5392 0.5422 3.8058 3.8082 3.8414 3.8524 4.2626 4.2697 4.2872 4.3228 6.1432 6.1641 6.1676 6.1739 6.9544 7.0682 7.1178 7.1333 7.5066 7.5631 7.6172 7.6281 8.5546 8.5612 8.5853 8.5853 8.7916 8.8301 8.8483 8.8505 8.9490 8.9593 8.9862 8.9990 10.7602 10.7772 10.7835 10.8185 12.3153 12.3920 12.5139 12.5278 k = 0.5000 0.3702 0.1713 ( 3680 PWs) bands (ev): -3.5228 -3.5224 -3.5219 -3.5196 0.5401 0.5402 0.5455 0.5486 3.7664 3.7672 3.8003 3.8130 4.2010 4.2125 4.2288 4.2626 6.1947 6.2180 6.2199 6.2237 6.9961 7.0967 7.1595 7.1656 7.5565 7.6139 7.6640 7.6803 8.5507 8.5540 8.5807 8.5825 8.8005 8.8407 8.8618 8.8678 8.9498 8.9621 8.9915 9.0033 10.8050 10.8254 10.8274 10.8686 12.3092 12.3874 12.5066 12.5193 k = 0.5000 0.3702 0.1827 ( 3676 PWs) bands (ev): -3.5200 -3.5195 -3.5192 -3.5168 0.5468 0.5470 0.5518 0.5549 3.7297 3.7306 3.7623 3.7770 4.1422 4.1580 4.1726 4.2051 6.2417 6.2670 6.2675 6.2689 7.0354 7.1238 7.1954 7.1960 7.6108 7.6665 7.7125 7.7335 8.5444 8.5454 8.5746 8.5770 8.8105 8.8515 8.8750 8.8849 8.9510 8.9653 8.9974 9.0074 10.8537 10.8746 10.8775 10.9221 12.3034 12.3818 12.4985 12.5097 k = 0.5000 0.3702 0.1941 ( 3688 PWs) bands (ev): -3.5173 -3.5167 -3.5165 -3.5141 0.5533 0.5535 0.5578 0.5609 3.6958 3.6986 3.7276 3.7445 4.0865 4.1064 4.1188 4.1507 6.2842 6.3093 6.3104 6.3111 7.0720 7.1491 7.2226 7.2276 7.6684 7.7205 7.7620 7.7875 8.5350 8.5356 8.5667 8.5685 8.8210 8.8620 8.8873 8.9011 8.9527 8.9687 9.0037 9.0114 10.9058 10.9248 10.9330 10.9782 12.2980 12.3750 12.4894 12.4988 k = 0.5000 0.3702 0.2055 ( 3692 PWs) bands (ev): -3.5146 -3.5140 -3.5139 -3.5116 0.5595 0.5599 0.5636 0.5666 3.6656 3.6705 3.6963 3.7155 4.0343 4.0583 4.0679 4.0995 6.3222 6.3451 6.3485 6.3501 7.1057 7.1724 7.2472 7.2546 7.7285 7.7754 7.8125 7.8420 8.5229 8.5243 8.5568 8.5572 8.8319 8.8720 8.8984 8.9153 8.9557 8.9724 9.0103 9.0150 10.9610 10.9776 10.9912 11.0363 12.2931 12.3665 12.4790 12.4864 k = 0.5000 0.3702 0.2169 ( 3684 PWs) bands (ev): -3.5122 -3.5116 -3.5114 -3.5092 0.5654 0.5658 0.5690 0.5720 3.6393 3.6464 3.6684 3.6901 3.9860 4.0141 4.0202 4.0521 6.3558 6.3763 6.3821 6.3843 7.1363 7.1934 7.2691 7.2775 7.7898 7.8307 7.8635 7.8964 8.5090 8.5108 8.5431 8.5450 8.8429 8.8812 8.9079 8.9261 8.9614 8.9764 9.0168 9.0181 11.0184 11.0324 11.0513 11.0952 12.2889 12.3560 12.4666 12.4722 k = 0.5000 0.3702 0.2283 ( 3684 PWs) bands (ev): -3.5099 -3.5095 -3.5090 -3.5071 0.5708 0.5714 0.5740 0.5769 3.6167 3.6264 3.6440 3.6682 3.9421 3.9741 3.9760 4.0087 6.3850 6.4032 6.4112 6.4138 7.1636 7.2119 7.2882 7.2967 7.8513 7.8857 7.9144 7.9502 8.4932 8.4951 8.5262 8.5310 8.8537 8.8895 8.9156 8.9323 8.9702 8.9806 9.0205 9.0229 11.0771 11.0881 11.1118 11.1537 12.2854 12.3430 12.4515 12.4560 k = 0.5000 0.3702 0.2398 ( 3692 PWs) bands (ev): -3.5079 -3.5075 -3.5068 -3.5052 0.5757 0.5765 0.5785 0.5812 3.5979 3.6104 3.6229 3.6497 3.9029 3.9358 3.9387 3.9696 6.4102 6.4258 6.4359 6.4386 7.1875 7.2276 7.3045 7.3125 7.9118 7.9395 7.9647 8.0027 8.4755 8.4772 8.5066 8.5147 8.8642 8.8969 8.9212 8.9351 8.9810 8.9852 9.0222 9.0282 11.1358 11.1437 11.1714 11.2100 12.2826 12.3272 12.4327 12.4375 k = 0.5000 0.3702 0.2512 ( 3684 PWs) bands (ev): -3.5061 -3.5058 -3.5049 -3.5035 0.5801 0.5809 0.5824 0.5850 3.5829 3.5984 3.6050 3.6342 3.8691 3.8998 3.9084 3.9352 6.4313 6.4444 6.4566 6.4592 7.2080 7.2406 7.3183 7.3253 7.9701 7.9913 8.0136 8.0530 8.4562 8.4578 8.4846 8.4963 8.8742 8.9035 8.9247 8.9358 8.9900 8.9922 9.0230 9.0325 11.1930 11.1979 11.2279 11.2624 12.2808 12.3092 12.4090 12.4164 k = 0.5000 0.3702 0.2626 ( 3672 PWs) bands (ev): -3.5046 -3.5044 -3.5033 -3.5022 0.5837 0.5848 0.5856 0.5880 3.5715 3.5901 3.5902 3.6214 3.8412 3.8684 3.8835 3.9058 6.4487 6.4591 6.4734 6.4757 7.2252 7.2507 7.3296 7.3353 8.0250 8.0400 8.0604 8.0997 8.4356 8.4374 8.4606 8.4758 8.8838 8.9093 8.9262 8.9353 8.9951 9.0028 9.0230 9.0355 11.2469 11.2488 11.2790 11.3084 12.2802 12.2904 12.3805 12.3930 k = 0.5000 0.3702 0.2740 ( 3672 PWs) bands (ev): -3.5034 -3.5033 -3.5020 -3.5011 0.5867 0.5879 0.5881 0.5904 3.5636 3.5782 3.5856 3.6108 3.8198 3.8421 3.8644 3.8818 6.4623 6.4701 6.4863 6.4882 7.2391 7.2579 7.3383 7.3427 8.0745 8.0840 8.1037 8.1407 8.4146 8.4174 8.4354 8.4536 8.8926 8.9144 8.9257 8.9340 9.0001 9.0122 9.0219 9.0370 11.2943 11.2952 11.3216 11.3456 12.2738 12.2813 12.3485 12.3683 k = 0.5000 0.3702 0.2854 ( 3668 PWs) bands (ev): -3.5026 -3.5025 -3.5010 -3.5004 0.5889 0.5899 0.5903 0.5920 3.5589 3.5689 3.5842 3.6020 3.8055 3.8215 3.8515 3.8634 6.4723 6.4775 6.4956 6.4969 7.2498 7.2622 7.3447 7.3477 8.1160 8.1209 8.1420 8.1729 8.3955 8.4007 8.4109 8.4310 8.9008 8.9190 8.9234 8.9321 9.0050 9.0200 9.0203 9.0369 11.3319 11.3354 11.3529 11.3714 12.2629 12.2849 12.3167 12.3439 k = 0.5000 0.3702 0.2969 ( 3668 PWs) bands (ev): -3.5020 -3.5020 -3.5003 -3.5001 0.5904 0.5908 0.5919 0.5928 3.5572 3.5624 3.5856 3.5949 3.7986 3.8070 3.8449 3.8510 6.4788 6.4814 6.5012 6.5019 7.2575 7.2636 7.3489 7.3504 8.1450 8.1467 8.1725 8.1910 8.3821 8.3905 8.3919 8.4101 8.9081 8.9196 8.9231 8.9296 9.0096 9.0172 9.0268 9.0352 11.3587 11.3650 11.3702 11.3838 12.2610 12.2892 12.2923 12.3220 k = 0.5000 0.3702 0.3083 ( 3664 PWs) bands (ev): -3.5018 -3.5018 -3.5000 -3.5000 0.5910 0.5910 0.5927 0.5927 3.5584 3.5584 3.5893 3.5893 3.7992 3.7992 3.8448 3.8448 6.4818 6.4818 6.5033 6.5033 7.2620 7.2620 7.3507 7.3507 8.1560 8.1560 8.1906 8.1906 8.3797 8.3797 8.3954 8.3954 8.9144 8.9144 8.9266 8.9266 9.0137 9.0137 9.0319 9.0319 11.3720 11.3720 11.3816 11.3816 12.2698 12.2698 12.3046 12.3046 Writing output data file CoSbS.save init_run : 2.83s CPU 14.78s WALL ( 1 calls) electrons : 767.97s CPU 776.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.29s CPU 1.75s WALL ( 1 calls) Called by electrons: c_bands : 767.82s CPU 776.28s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.99s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.08s CPU 0.57s WALL ( 1 calls) newd : 0.60s CPU 0.76s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.13s WALL ( 428 calls) cegterg : 701.87s CPU 707.39s WALL ( 896 calls) Called by sum_band: Called by *egterg: h_psi : 307.34s CPU 317.35s WALL ( 14894 calls) s_psi : 60.51s CPU 61.01s WALL ( 14894 calls) g_psi : 0.70s CPU 0.77s WALL ( 13570 calls) cdiaghg : 236.18s CPU 233.50s WALL ( 13998 calls) cegterg:over : 67.66s CPU 63.69s WALL ( 13570 calls) cegterg:upda : 10.67s CPU 14.56s WALL ( 13570 calls) cegterg:last : 9.80s CPU 10.79s WALL ( 2628 calls) Called by h_psi: h_psi:vloc : 198.55s CPU 206.10s WALL ( 14894 calls) h_psi:vnl : 108.54s CPU 110.27s WALL ( 14894 calls) add_vuspsi : 41.27s CPU 46.15s WALL ( 14894 calls) General routines calbec : 67.20s CPU 64.01s WALL ( 14894 calls) fft : 0.21s CPU 1.56s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 189.67s CPU 196.07s WALL ( 1583884 calls) interpolate : 0.07s CPU 0.08s WALL ( 4 calls) davcio : 0.03s CPU 1.66s WALL ( 856 calls) Parallel routines fft_scatter : 138.24s CPU 141.14s WALL ( 1583907 calls) PWSCF : 13m57.16s CPU 16m16.87s WALL This run was terminated on: 19: 3:28 17Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=