Program PWSCF v.5.1.1 starts on 16Jul2015 at 16: 8:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ag3Sb.save/ 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 30 23 7 1006 658 111 Max 31 24 8 1013 678 116 Sum 987 759 225 32311 21445 3631 bravais-lattice index = 14 lattice parameter (alat) = 5.6503 a.u. unit-cell volume = 508.1606 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 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)= 5.650281 celldm(2)= 1.612040 celldm(3)= 1.747492 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 1.612040 0.000000 ) a(3) = ( 0.000000 0.000000 1.747492 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.620332 -0.000000 ) b(3) = ( 0.000000 0.000000 0.572249 ) PseudoPot. # 1 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 PseudoPot. # 2 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Sb 5.00 121.76000 Sb( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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= 480 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 2) = ( 0.0094340 -0.0000000 -0.0000000), wk = 0.0020833 k( 3) = ( 0.0188679 -0.0000000 -0.0000000), wk = 0.0020833 k( 4) = ( 0.0283019 -0.0000000 -0.0000000), wk = 0.0020833 k( 5) = ( 0.0377359 -0.0000000 -0.0000000), wk = 0.0020833 k( 6) = ( 0.0471698 -0.0000000 -0.0000000), wk = 0.0020833 k( 7) = ( 0.0566038 -0.0000000 -0.0000000), wk = 0.0020833 k( 8) = ( 0.0660377 -0.0000000 -0.0000000), wk = 0.0020833 k( 9) = ( 0.0754717 -0.0000000 -0.0000000), wk = 0.0020833 k( 10) = ( 0.0849057 -0.0000000 -0.0000000), wk = 0.0020833 k( 11) = ( 0.0943396 -0.0000000 -0.0000000), wk = 0.0020833 k( 12) = ( 0.1037736 -0.0000000 -0.0000000), wk = 0.0020833 k( 13) = ( 0.1132076 -0.0000000 -0.0000000), wk = 0.0020833 k( 14) = ( 0.1226415 -0.0000000 -0.0000000), wk = 0.0020833 k( 15) = ( 0.1320755 -0.0000000 -0.0000000), wk = 0.0020833 k( 16) = ( 0.1415094 -0.0000000 -0.0000000), wk = 0.0020833 k( 17) = ( 0.1509434 -0.0000000 -0.0000000), wk = 0.0020833 k( 18) = ( 0.1603774 -0.0000000 -0.0000000), wk = 0.0020833 k( 19) = ( 0.1698113 -0.0000000 -0.0000000), wk = 0.0020833 k( 20) = ( 0.1792453 -0.0000000 -0.0000000), wk = 0.0020833 k( 21) = ( 0.1886792 -0.0000000 -0.0000000), wk = 0.0020833 k( 22) = ( 0.1981132 -0.0000000 -0.0000000), wk = 0.0020833 k( 23) = ( 0.2075472 -0.0000000 -0.0000000), wk = 0.0020833 k( 24) = ( 0.2169811 -0.0000000 -0.0000000), wk = 0.0020833 k( 25) = ( 0.2264151 -0.0000000 -0.0000000), wk = 0.0020833 k( 26) = ( 0.2358491 -0.0000000 -0.0000000), wk = 0.0020833 k( 27) = ( 0.2452830 -0.0000000 -0.0000000), wk = 0.0020833 k( 28) = ( 0.2547170 -0.0000000 -0.0000000), wk = 0.0020833 k( 29) = ( 0.2641509 -0.0000000 -0.0000000), wk = 0.0020833 k( 30) = ( 0.2735849 -0.0000000 -0.0000000), wk = 0.0020833 k( 31) = ( 0.2830189 -0.0000000 -0.0000000), wk = 0.0020833 k( 32) = ( 0.2924528 -0.0000000 -0.0000000), wk = 0.0020833 k( 33) = ( 0.3018868 -0.0000000 -0.0000000), wk = 0.0020833 k( 34) = ( 0.3113207 -0.0000000 -0.0000000), wk = 0.0020833 k( 35) = ( 0.3207547 -0.0000000 -0.0000000), wk = 0.0020833 k( 36) = ( 0.3301887 -0.0000000 -0.0000000), wk = 0.0020833 k( 37) = ( 0.3396226 -0.0000000 -0.0000000), wk = 0.0020833 k( 38) = ( 0.3490566 -0.0000000 -0.0000000), wk = 0.0020833 k( 39) = ( 0.3584906 -0.0000000 -0.0000000), wk = 0.0020833 k( 40) = ( 0.3679245 -0.0000000 -0.0000000), wk = 0.0020833 k( 41) = ( 0.3773585 -0.0000000 -0.0000000), wk = 0.0020833 k( 42) = ( 0.3867925 -0.0000000 -0.0000000), wk = 0.0020833 k( 43) = ( 0.3962264 -0.0000000 -0.0000000), wk = 0.0020833 k( 44) = ( 0.4056604 -0.0000000 -0.0000000), wk = 0.0020833 k( 45) = ( 0.4150943 -0.0000000 -0.0000000), wk = 0.0020833 k( 46) = ( 0.4245283 -0.0000000 -0.0000000), wk = 0.0020833 k( 47) = ( 0.4339623 -0.0000000 -0.0000000), wk = 0.0020833 k( 48) = ( 0.4433962 -0.0000000 -0.0000000), wk = 0.0020833 k( 49) = ( 0.4528302 -0.0000000 -0.0000000), wk = 0.0020833 k( 50) = ( 0.4622641 -0.0000000 -0.0000000), wk = 0.0020833 k( 51) = ( 0.4716981 -0.0000000 -0.0000000), wk = 0.0020833 k( 52) = ( 0.4811321 -0.0000000 -0.0000000), wk = 0.0020833 k( 53) = ( 0.4905660 -0.0000000 -0.0000000), wk = 0.0020833 k( 54) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020833 k( 55) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020833 k( 56) = ( 0.5000000 0.0093990 -0.0000000), wk = 0.0020833 k( 57) = ( 0.5000000 0.0187979 -0.0000000), wk = 0.0020833 k( 58) = ( 0.5000000 0.0281969 -0.0000000), wk = 0.0020833 k( 59) = ( 0.5000000 0.0375959 -0.0000000), wk = 0.0020833 k( 60) = ( 0.5000000 0.0469948 -0.0000000), wk = 0.0020833 k( 61) = ( 0.5000000 0.0563938 -0.0000000), wk = 0.0020833 k( 62) = ( 0.5000000 0.0657928 -0.0000000), wk = 0.0020833 k( 63) = ( 0.5000000 0.0751918 -0.0000000), wk = 0.0020833 k( 64) = ( 0.5000000 0.0845907 -0.0000000), wk = 0.0020833 k( 65) = ( 0.5000000 0.0939897 -0.0000000), wk = 0.0020833 k( 66) = ( 0.5000000 0.1033887 -0.0000000), wk = 0.0020833 k( 67) = ( 0.5000000 0.1127876 -0.0000000), wk = 0.0020833 k( 68) = ( 0.5000000 0.1221866 -0.0000000), wk = 0.0020833 k( 69) = ( 0.5000000 0.1315856 -0.0000000), wk = 0.0020833 k( 70) = ( 0.5000000 0.1409845 -0.0000000), wk = 0.0020833 k( 71) = ( 0.5000000 0.1503835 -0.0000000), wk = 0.0020833 k( 72) = ( 0.5000000 0.1597825 -0.0000000), wk = 0.0020833 k( 73) = ( 0.5000000 0.1691814 -0.0000000), wk = 0.0020833 k( 74) = ( 0.5000000 0.1785804 -0.0000000), wk = 0.0020833 k( 75) = ( 0.5000000 0.1879794 -0.0000000), wk = 0.0020833 k( 76) = ( 0.5000000 0.1973783 -0.0000000), wk = 0.0020833 k( 77) = ( 0.5000000 0.2067773 -0.0000000), wk = 0.0020833 k( 78) = ( 0.5000000 0.2161763 -0.0000000), wk = 0.0020833 k( 79) = ( 0.5000000 0.2255753 -0.0000000), wk = 0.0020833 k( 80) = ( 0.5000000 0.2349742 -0.0000000), wk = 0.0020833 k( 81) = ( 0.5000000 0.2443732 -0.0000000), wk = 0.0020833 k( 82) = ( 0.5000000 0.2537722 -0.0000000), wk = 0.0020833 k( 83) = ( 0.5000000 0.2631711 -0.0000000), wk = 0.0020833 k( 84) = ( 0.5000000 0.2725701 -0.0000000), wk = 0.0020833 k( 85) = ( 0.5000000 0.2819691 -0.0000000), wk = 0.0020833 k( 86) = ( 0.5000000 0.2913680 -0.0000000), wk = 0.0020833 k( 87) = ( 0.5000000 0.3007670 -0.0000000), wk = 0.0020833 k( 88) = ( 0.5000000 0.3101660 -0.0000000), wk = 0.0020833 k( 89) = ( 0.5000000 0.3101660 -0.0000000), wk = 0.0020833 k( 90) = ( 0.4905660 0.3101660 -0.0000000), wk = 0.0020833 k( 91) = ( 0.4811321 0.3101660 -0.0000000), wk = 0.0020833 k( 92) = ( 0.4716981 0.3101660 -0.0000000), wk = 0.0020833 k( 93) = ( 0.4622641 0.3101660 -0.0000000), wk = 0.0020833 k( 94) = ( 0.4528302 0.3101660 -0.0000000), wk = 0.0020833 k( 95) = ( 0.4433962 0.3101660 -0.0000000), wk = 0.0020833 k( 96) = ( 0.4339623 0.3101660 -0.0000000), wk = 0.0020833 k( 97) = ( 0.4245283 0.3101660 -0.0000000), wk = 0.0020833 k( 98) = ( 0.4150943 0.3101660 -0.0000000), wk = 0.0020833 k( 99) = ( 0.4056604 0.3101660 -0.0000000), wk = 0.0020833 k( 100) = ( 0.3962264 0.3101660 -0.0000000), wk = 0.0020833 k( 101) = ( 0.3867925 0.3101660 -0.0000000), wk = 0.0020833 k( 102) = ( 0.3773585 0.3101660 -0.0000000), wk = 0.0020833 k( 103) = ( 0.3679245 0.3101660 -0.0000000), wk = 0.0020833 k( 104) = ( 0.3584906 0.3101660 -0.0000000), wk = 0.0020833 k( 105) = ( 0.3490566 0.3101660 -0.0000000), wk = 0.0020833 k( 106) = ( 0.3396226 0.3101660 -0.0000000), wk = 0.0020833 k( 107) = ( 0.3301887 0.3101660 -0.0000000), wk = 0.0020833 k( 108) = ( 0.3207547 0.3101660 -0.0000000), wk = 0.0020833 k( 109) = ( 0.3113207 0.3101660 -0.0000000), wk = 0.0020833 k( 110) = ( 0.3018868 0.3101660 -0.0000000), wk = 0.0020833 k( 111) = ( 0.2924528 0.3101660 -0.0000000), wk = 0.0020833 k( 112) = ( 0.2830189 0.3101660 -0.0000000), wk = 0.0020833 k( 113) = ( 0.2735849 0.3101660 -0.0000000), wk = 0.0020833 k( 114) = ( 0.2641509 0.3101660 -0.0000000), wk = 0.0020833 k( 115) = ( 0.2547170 0.3101660 -0.0000000), wk = 0.0020833 k( 116) = ( 0.2452830 0.3101660 -0.0000000), wk = 0.0020833 k( 117) = ( 0.2358491 0.3101660 -0.0000000), wk = 0.0020833 k( 118) = ( 0.2264151 0.3101660 -0.0000000), wk = 0.0020833 k( 119) = ( 0.2169811 0.3101660 -0.0000000), wk = 0.0020833 k( 120) = ( 0.2075472 0.3101660 -0.0000000), wk = 0.0020833 k( 121) = ( 0.1981132 0.3101660 -0.0000000), wk = 0.0020833 k( 122) = ( 0.1886792 0.3101660 -0.0000000), wk = 0.0020833 k( 123) = ( 0.1792453 0.3101660 -0.0000000), wk = 0.0020833 k( 124) = ( 0.1698113 0.3101660 -0.0000000), wk = 0.0020833 k( 125) = ( 0.1603774 0.3101660 -0.0000000), wk = 0.0020833 k( 126) = ( 0.1509434 0.3101660 -0.0000000), wk = 0.0020833 k( 127) = ( 0.1415094 0.3101660 -0.0000000), wk = 0.0020833 k( 128) = ( 0.1320755 0.3101660 -0.0000000), wk = 0.0020833 k( 129) = ( 0.1226415 0.3101660 -0.0000000), wk = 0.0020833 k( 130) = ( 0.1132076 0.3101660 -0.0000000), wk = 0.0020833 k( 131) = ( 0.1037736 0.3101660 -0.0000000), wk = 0.0020833 k( 132) = ( 0.0943396 0.3101660 -0.0000000), wk = 0.0020833 k( 133) = ( 0.0849057 0.3101660 -0.0000000), wk = 0.0020833 k( 134) = ( 0.0754717 0.3101660 -0.0000000), wk = 0.0020833 k( 135) = ( 0.0660377 0.3101660 -0.0000000), wk = 0.0020833 k( 136) = ( 0.0566038 0.3101660 -0.0000000), wk = 0.0020833 k( 137) = ( 0.0471698 0.3101660 -0.0000000), wk = 0.0020833 k( 138) = ( 0.0377359 0.3101660 -0.0000000), wk = 0.0020833 k( 139) = ( 0.0283019 0.3101660 -0.0000000), wk = 0.0020833 k( 140) = ( 0.0188679 0.3101660 -0.0000000), wk = 0.0020833 k( 141) = ( 0.0094340 0.3101660 -0.0000000), wk = 0.0020833 k( 142) = ( 0.0000000 0.3101660 -0.0000000), wk = 0.0020833 k( 143) = ( 0.0000000 0.3101660 -0.0000000), wk = 0.0020833 k( 144) = ( 0.0000000 0.3007670 -0.0000000), wk = 0.0020833 k( 145) = ( 0.0000000 0.2913680 -0.0000000), wk = 0.0020833 k( 146) = ( 0.0000000 0.2819691 -0.0000000), wk = 0.0020833 k( 147) = ( 0.0000000 0.2725701 -0.0000000), wk = 0.0020833 k( 148) = ( 0.0000000 0.2631711 -0.0000000), wk = 0.0020833 k( 149) = ( 0.0000000 0.2537722 -0.0000000), wk = 0.0020833 k( 150) = ( 0.0000000 0.2443732 -0.0000000), wk = 0.0020833 k( 151) = ( 0.0000000 0.2349742 -0.0000000), wk = 0.0020833 k( 152) = ( 0.0000000 0.2255753 -0.0000000), wk = 0.0020833 k( 153) = ( 0.0000000 0.2161763 -0.0000000), wk = 0.0020833 k( 154) = ( 0.0000000 0.2067773 -0.0000000), wk = 0.0020833 k( 155) = ( 0.0000000 0.1973783 -0.0000000), wk = 0.0020833 k( 156) = ( 0.0000000 0.1879794 -0.0000000), wk = 0.0020833 k( 157) = ( 0.0000000 0.1785804 -0.0000000), wk = 0.0020833 k( 158) = ( 0.0000000 0.1691814 -0.0000000), wk = 0.0020833 k( 159) = ( 0.0000000 0.1597825 -0.0000000), wk = 0.0020833 k( 160) = ( 0.0000000 0.1503835 -0.0000000), wk = 0.0020833 k( 161) = ( 0.0000000 0.1409845 -0.0000000), wk = 0.0020833 k( 162) = ( 0.0000000 0.1315856 -0.0000000), wk = 0.0020833 k( 163) = ( 0.0000000 0.1221866 -0.0000000), wk = 0.0020833 k( 164) = ( 0.0000000 0.1127876 -0.0000000), wk = 0.0020833 k( 165) = ( 0.0000000 0.1033887 -0.0000000), wk = 0.0020833 k( 166) = ( 0.0000000 0.0939897 -0.0000000), wk = 0.0020833 k( 167) = ( 0.0000000 0.0845907 -0.0000000), wk = 0.0020833 k( 168) = ( 0.0000000 0.0751918 -0.0000000), wk = 0.0020833 k( 169) = ( 0.0000000 0.0657928 -0.0000000), wk = 0.0020833 k( 170) = ( 0.0000000 0.0563938 -0.0000000), wk = 0.0020833 k( 171) = ( 0.0000000 0.0469948 -0.0000000), wk = 0.0020833 k( 172) = ( 0.0000000 0.0375959 -0.0000000), wk = 0.0020833 k( 173) = ( 0.0000000 0.0281969 -0.0000000), wk = 0.0020833 k( 174) = ( 0.0000000 0.0187979 -0.0000000), wk = 0.0020833 k( 175) = ( 0.0000000 0.0093990 -0.0000000), wk = 0.0020833 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 178) = ( 0.0000000 0.0000000 0.0092298), wk = 0.0020833 k( 179) = ( 0.0000000 0.0000000 0.0184596), wk = 0.0020833 k( 180) = ( 0.0000000 0.0000000 0.0276895), wk = 0.0020833 k( 181) = ( 0.0000000 0.0000000 0.0369193), wk = 0.0020833 k( 182) = ( 0.0000000 0.0000000 0.0461491), wk = 0.0020833 k( 183) = ( 0.0000000 0.0000000 0.0553789), wk = 0.0020833 k( 184) = ( 0.0000000 0.0000000 0.0646087), wk = 0.0020833 k( 185) = ( 0.0000000 0.0000000 0.0738386), wk = 0.0020833 k( 186) = ( 0.0000000 0.0000000 0.0830684), wk = 0.0020833 k( 187) = ( 0.0000000 0.0000000 0.0922982), wk = 0.0020833 k( 188) = ( 0.0000000 0.0000000 0.1015280), wk = 0.0020833 k( 189) = ( 0.0000000 0.0000000 0.1107578), wk = 0.0020833 k( 190) = ( 0.0000000 0.0000000 0.1199877), wk = 0.0020833 k( 191) = ( 0.0000000 0.0000000 0.1292175), wk = 0.0020833 k( 192) = ( 0.0000000 0.0000000 0.1384473), wk = 0.0020833 k( 193) = ( 0.0000000 0.0000000 0.1476771), wk = 0.0020833 k( 194) = ( 0.0000000 0.0000000 0.1569069), wk = 0.0020833 k( 195) = ( 0.0000000 0.0000000 0.1661367), wk = 0.0020833 k( 196) = ( 0.0000000 0.0000000 0.1753666), wk = 0.0020833 k( 197) = ( 0.0000000 0.0000000 0.1845964), wk = 0.0020833 k( 198) = ( 0.0000000 0.0000000 0.1938262), wk = 0.0020833 k( 199) = ( 0.0000000 0.0000000 0.2030560), wk = 0.0020833 k( 200) = ( 0.0000000 0.0000000 0.2122858), wk = 0.0020833 k( 201) = ( 0.0000000 0.0000000 0.2215157), wk = 0.0020833 k( 202) = ( 0.0000000 0.0000000 0.2307455), wk = 0.0020833 k( 203) = ( 0.0000000 0.0000000 0.2399753), wk = 0.0020833 k( 204) = ( 0.0000000 0.0000000 0.2492051), wk = 0.0020833 k( 205) = ( 0.0000000 0.0000000 0.2584349), wk = 0.0020833 k( 206) = ( 0.0000000 0.0000000 0.2676648), wk = 0.0020833 k( 207) = ( 0.0000000 0.0000000 0.2768946), wk = 0.0020833 k( 208) = ( 0.0000000 0.0000000 0.2861244), wk = 0.0020833 k( 209) = ( 0.0000000 0.0000000 0.2861244), wk = 0.0020833 k( 210) = ( 0.0094340 -0.0000000 0.2861244), wk = 0.0020833 k( 211) = ( 0.0188679 -0.0000000 0.2861244), wk = 0.0020833 k( 212) = ( 0.0283019 -0.0000000 0.2861244), wk = 0.0020833 k( 213) = ( 0.0377359 -0.0000000 0.2861244), wk = 0.0020833 k( 214) = ( 0.0471698 -0.0000000 0.2861244), wk = 0.0020833 k( 215) = ( 0.0566038 -0.0000000 0.2861244), wk = 0.0020833 k( 216) = ( 0.0660377 -0.0000000 0.2861244), wk = 0.0020833 k( 217) = ( 0.0754717 -0.0000000 0.2861244), wk = 0.0020833 k( 218) = ( 0.0849057 -0.0000000 0.2861244), wk = 0.0020833 k( 219) = ( 0.0943396 -0.0000000 0.2861244), wk = 0.0020833 k( 220) = ( 0.1037736 -0.0000000 0.2861244), wk = 0.0020833 k( 221) = ( 0.1132076 -0.0000000 0.2861244), wk = 0.0020833 k( 222) = ( 0.1226415 -0.0000000 0.2861244), wk = 0.0020833 k( 223) = ( 0.1320755 -0.0000000 0.2861244), wk = 0.0020833 k( 224) = ( 0.1415094 -0.0000000 0.2861244), wk = 0.0020833 k( 225) = ( 0.1509434 -0.0000000 0.2861244), wk = 0.0020833 k( 226) = ( 0.1603774 -0.0000000 0.2861244), wk = 0.0020833 k( 227) = ( 0.1698113 -0.0000000 0.2861244), wk = 0.0020833 k( 228) = ( 0.1792453 -0.0000000 0.2861244), wk = 0.0020833 k( 229) = ( 0.1886792 -0.0000000 0.2861244), wk = 0.0020833 k( 230) = ( 0.1981132 -0.0000000 0.2861244), wk = 0.0020833 k( 231) = ( 0.2075472 -0.0000000 0.2861244), wk = 0.0020833 k( 232) = ( 0.2169811 -0.0000000 0.2861244), wk = 0.0020833 k( 233) = ( 0.2264151 -0.0000000 0.2861244), wk = 0.0020833 k( 234) = ( 0.2358491 -0.0000000 0.2861244), wk = 0.0020833 k( 235) = ( 0.2452830 -0.0000000 0.2861244), wk = 0.0020833 k( 236) = ( 0.2547170 -0.0000000 0.2861244), wk = 0.0020833 k( 237) = ( 0.2641509 -0.0000000 0.2861244), wk = 0.0020833 k( 238) = ( 0.2735849 -0.0000000 0.2861244), wk = 0.0020833 k( 239) = ( 0.2830189 -0.0000000 0.2861244), wk = 0.0020833 k( 240) = ( 0.2924528 -0.0000000 0.2861244), wk = 0.0020833 k( 241) = ( 0.3018868 -0.0000000 0.2861244), wk = 0.0020833 k( 242) = ( 0.3113207 -0.0000000 0.2861244), wk = 0.0020833 k( 243) = ( 0.3207547 -0.0000000 0.2861244), wk = 0.0020833 k( 244) = ( 0.3301887 -0.0000000 0.2861244), wk = 0.0020833 k( 245) = ( 0.3396226 -0.0000000 0.2861244), wk = 0.0020833 k( 246) = ( 0.3490566 -0.0000000 0.2861244), wk = 0.0020833 k( 247) = ( 0.3584906 -0.0000000 0.2861244), wk = 0.0020833 k( 248) = ( 0.3679245 -0.0000000 0.2861244), wk = 0.0020833 k( 249) = ( 0.3773585 -0.0000000 0.2861244), wk = 0.0020833 k( 250) = ( 0.3867925 -0.0000000 0.2861244), wk = 0.0020833 k( 251) = ( 0.3962264 -0.0000000 0.2861244), wk = 0.0020833 k( 252) = ( 0.4056604 -0.0000000 0.2861244), wk = 0.0020833 k( 253) = ( 0.4150943 -0.0000000 0.2861244), wk = 0.0020833 k( 254) = ( 0.4245283 -0.0000000 0.2861244), wk = 0.0020833 k( 255) = ( 0.4339623 -0.0000000 0.2861244), wk = 0.0020833 k( 256) = ( 0.4433962 -0.0000000 0.2861244), wk = 0.0020833 k( 257) = ( 0.4528302 -0.0000000 0.2861244), wk = 0.0020833 k( 258) = ( 0.4622641 -0.0000000 0.2861244), wk = 0.0020833 k( 259) = ( 0.4716981 -0.0000000 0.2861244), wk = 0.0020833 k( 260) = ( 0.4811321 -0.0000000 0.2861244), wk = 0.0020833 k( 261) = ( 0.4905660 -0.0000000 0.2861244), wk = 0.0020833 k( 262) = ( 0.5000000 -0.0000000 0.2861244), wk = 0.0020833 k( 263) = ( 0.5000000 -0.0000000 0.2861244), wk = 0.0020833 k( 264) = ( 0.5000000 0.0093990 0.2861244), wk = 0.0020833 k( 265) = ( 0.5000000 0.0187979 0.2861244), wk = 0.0020833 k( 266) = ( 0.5000000 0.0281969 0.2861244), wk = 0.0020833 k( 267) = ( 0.5000000 0.0375959 0.2861244), wk = 0.0020833 k( 268) = ( 0.5000000 0.0469948 0.2861244), wk = 0.0020833 k( 269) = ( 0.5000000 0.0563938 0.2861244), wk = 0.0020833 k( 270) = ( 0.5000000 0.0657928 0.2861244), wk = 0.0020833 k( 271) = ( 0.5000000 0.0751918 0.2861244), wk = 0.0020833 k( 272) = ( 0.5000000 0.0845907 0.2861244), wk = 0.0020833 k( 273) = ( 0.5000000 0.0939897 0.2861244), wk = 0.0020833 k( 274) = ( 0.5000000 0.1033887 0.2861244), wk = 0.0020833 k( 275) = ( 0.5000000 0.1127876 0.2861244), wk = 0.0020833 k( 276) = ( 0.5000000 0.1221866 0.2861244), wk = 0.0020833 k( 277) = ( 0.5000000 0.1315856 0.2861244), wk = 0.0020833 k( 278) = ( 0.5000000 0.1409845 0.2861244), wk = 0.0020833 k( 279) = ( 0.5000000 0.1503835 0.2861244), wk = 0.0020833 k( 280) = ( 0.5000000 0.1597825 0.2861244), wk = 0.0020833 k( 281) = ( 0.5000000 0.1691814 0.2861244), wk = 0.0020833 k( 282) = ( 0.5000000 0.1785804 0.2861244), wk = 0.0020833 k( 283) = ( 0.5000000 0.1879794 0.2861244), wk = 0.0020833 k( 284) = ( 0.5000000 0.1973783 0.2861244), wk = 0.0020833 k( 285) = ( 0.5000000 0.2067773 0.2861244), wk = 0.0020833 k( 286) = ( 0.5000000 0.2161763 0.2861244), wk = 0.0020833 k( 287) = ( 0.5000000 0.2255753 0.2861244), wk = 0.0020833 k( 288) = ( 0.5000000 0.2349742 0.2861244), wk = 0.0020833 k( 289) = ( 0.5000000 0.2443732 0.2861244), wk = 0.0020833 k( 290) = ( 0.5000000 0.2537722 0.2861244), wk = 0.0020833 k( 291) = ( 0.5000000 0.2631711 0.2861244), wk = 0.0020833 k( 292) = ( 0.5000000 0.2725701 0.2861244), wk = 0.0020833 k( 293) = ( 0.5000000 0.2819691 0.2861244), wk = 0.0020833 k( 294) = ( 0.5000000 0.2913680 0.2861244), wk = 0.0020833 k( 295) = ( 0.5000000 0.3007670 0.2861244), wk = 0.0020833 k( 296) = ( 0.5000000 0.3101660 0.2861244), wk = 0.0020833 k( 297) = ( 0.5000000 0.3101660 0.2861244), wk = 0.0020833 k( 298) = ( 0.4905660 0.3101660 0.2861244), wk = 0.0020833 k( 299) = ( 0.4811321 0.3101660 0.2861244), wk = 0.0020833 k( 300) = ( 0.4716981 0.3101660 0.2861244), wk = 0.0020833 k( 301) = ( 0.4622641 0.3101660 0.2861244), wk = 0.0020833 k( 302) = ( 0.4528302 0.3101660 0.2861244), wk = 0.0020833 k( 303) = ( 0.4433962 0.3101660 0.2861244), wk = 0.0020833 k( 304) = ( 0.4339623 0.3101660 0.2861244), wk = 0.0020833 k( 305) = ( 0.4245283 0.3101660 0.2861244), wk = 0.0020833 k( 306) = ( 0.4150943 0.3101660 0.2861244), wk = 0.0020833 k( 307) = ( 0.4056604 0.3101660 0.2861244), wk = 0.0020833 k( 308) = ( 0.3962264 0.3101660 0.2861244), wk = 0.0020833 k( 309) = ( 0.3867925 0.3101660 0.2861244), wk = 0.0020833 k( 310) = ( 0.3773585 0.3101660 0.2861244), wk = 0.0020833 k( 311) = ( 0.3679245 0.3101660 0.2861244), wk = 0.0020833 k( 312) = ( 0.3584906 0.3101660 0.2861244), wk = 0.0020833 k( 313) = ( 0.3490566 0.3101660 0.2861244), wk = 0.0020833 k( 314) = ( 0.3396226 0.3101660 0.2861244), wk = 0.0020833 k( 315) = ( 0.3301887 0.3101660 0.2861244), wk = 0.0020833 k( 316) = ( 0.3207547 0.3101660 0.2861244), wk = 0.0020833 k( 317) = ( 0.3113207 0.3101660 0.2861244), wk = 0.0020833 k( 318) = ( 0.3018868 0.3101660 0.2861244), wk = 0.0020833 k( 319) = ( 0.2924528 0.3101660 0.2861244), wk = 0.0020833 k( 320) = ( 0.2830189 0.3101660 0.2861244), wk = 0.0020833 k( 321) = ( 0.2735849 0.3101660 0.2861244), wk = 0.0020833 k( 322) = ( 0.2641509 0.3101660 0.2861244), wk = 0.0020833 k( 323) = ( 0.2547170 0.3101660 0.2861244), wk = 0.0020833 k( 324) = ( 0.2452830 0.3101660 0.2861244), wk = 0.0020833 k( 325) = ( 0.2358491 0.3101660 0.2861244), wk = 0.0020833 k( 326) = ( 0.2264151 0.3101660 0.2861244), wk = 0.0020833 k( 327) = ( 0.2169811 0.3101660 0.2861244), wk = 0.0020833 k( 328) = ( 0.2075472 0.3101660 0.2861244), wk = 0.0020833 k( 329) = ( 0.1981132 0.3101660 0.2861244), wk = 0.0020833 k( 330) = ( 0.1886792 0.3101660 0.2861244), wk = 0.0020833 k( 331) = ( 0.1792453 0.3101660 0.2861244), wk = 0.0020833 k( 332) = ( 0.1698113 0.3101660 0.2861244), wk = 0.0020833 k( 333) = ( 0.1603774 0.3101660 0.2861244), wk = 0.0020833 k( 334) = ( 0.1509434 0.3101660 0.2861244), wk = 0.0020833 k( 335) = ( 0.1415094 0.3101660 0.2861244), wk = 0.0020833 k( 336) = ( 0.1320755 0.3101660 0.2861244), wk = 0.0020833 k( 337) = ( 0.1226415 0.3101660 0.2861244), wk = 0.0020833 k( 338) = ( 0.1132076 0.3101660 0.2861244), wk = 0.0020833 k( 339) = ( 0.1037736 0.3101660 0.2861244), wk = 0.0020833 k( 340) = ( 0.0943396 0.3101660 0.2861244), wk = 0.0020833 k( 341) = ( 0.0849057 0.3101660 0.2861244), wk = 0.0020833 k( 342) = ( 0.0754717 0.3101660 0.2861244), wk = 0.0020833 k( 343) = ( 0.0660377 0.3101660 0.2861244), wk = 0.0020833 k( 344) = ( 0.0566038 0.3101660 0.2861244), wk = 0.0020833 k( 345) = ( 0.0471698 0.3101660 0.2861244), wk = 0.0020833 k( 346) = ( 0.0377359 0.3101660 0.2861244), wk = 0.0020833 k( 347) = ( 0.0283019 0.3101660 0.2861244), wk = 0.0020833 k( 348) = ( 0.0188679 0.3101660 0.2861244), wk = 0.0020833 k( 349) = ( 0.0094340 0.3101660 0.2861244), wk = 0.0020833 k( 350) = ( 0.0000000 0.3101660 0.2861244), wk = 0.0020833 k( 351) = ( 0.0000000 0.3101660 0.2861244), wk = 0.0020833 k( 352) = ( 0.0000000 0.3007670 0.2861244), wk = 0.0020833 k( 353) = ( 0.0000000 0.2913680 0.2861244), wk = 0.0020833 k( 354) = ( 0.0000000 0.2819691 0.2861244), wk = 0.0020833 k( 355) = ( 0.0000000 0.2725701 0.2861244), wk = 0.0020833 k( 356) = ( 0.0000000 0.2631711 0.2861244), wk = 0.0020833 k( 357) = ( 0.0000000 0.2537722 0.2861244), wk = 0.0020833 k( 358) = ( 0.0000000 0.2443732 0.2861244), wk = 0.0020833 k( 359) = ( 0.0000000 0.2349742 0.2861244), wk = 0.0020833 k( 360) = ( 0.0000000 0.2255753 0.2861244), wk = 0.0020833 k( 361) = ( 0.0000000 0.2161763 0.2861244), wk = 0.0020833 k( 362) = ( 0.0000000 0.2067773 0.2861244), wk = 0.0020833 k( 363) = ( 0.0000000 0.1973783 0.2861244), wk = 0.0020833 k( 364) = ( 0.0000000 0.1879794 0.2861244), wk = 0.0020833 k( 365) = ( 0.0000000 0.1785804 0.2861244), wk = 0.0020833 k( 366) = ( 0.0000000 0.1691814 0.2861244), wk = 0.0020833 k( 367) = ( 0.0000000 0.1597825 0.2861244), wk = 0.0020833 k( 368) = ( 0.0000000 0.1503835 0.2861244), wk = 0.0020833 k( 369) = ( 0.0000000 0.1409845 0.2861244), wk = 0.0020833 k( 370) = ( 0.0000000 0.1315856 0.2861244), wk = 0.0020833 k( 371) = ( 0.0000000 0.1221866 0.2861244), wk = 0.0020833 k( 372) = ( 0.0000000 0.1127876 0.2861244), wk = 0.0020833 k( 373) = ( 0.0000000 0.1033887 0.2861244), wk = 0.0020833 k( 374) = ( 0.0000000 0.0939897 0.2861244), wk = 0.0020833 k( 375) = ( 0.0000000 0.0845907 0.2861244), wk = 0.0020833 k( 376) = ( 0.0000000 0.0751918 0.2861244), wk = 0.0020833 k( 377) = ( 0.0000000 0.0657928 0.2861244), wk = 0.0020833 k( 378) = ( 0.0000000 0.0563938 0.2861244), wk = 0.0020833 k( 379) = ( 0.0000000 0.0469948 0.2861244), wk = 0.0020833 k( 380) = ( 0.0000000 0.0375959 0.2861244), wk = 0.0020833 k( 381) = ( 0.0000000 0.0281969 0.2861244), wk = 0.0020833 k( 382) = ( 0.0000000 0.0187979 0.2861244), wk = 0.0020833 k( 383) = ( 0.0000000 0.0093990 0.2861244), wk = 0.0020833 k( 384) = ( 0.0000000 0.0000000 0.2861244), wk = 0.0020833 k( 385) = ( 0.0000000 0.3101660 -0.0000000), wk = 0.0020833 k( 386) = ( 0.0000000 0.3101660 0.0092298), wk = 0.0020833 k( 387) = ( 0.0000000 0.3101660 0.0184596), wk = 0.0020833 k( 388) = ( 0.0000000 0.3101660 0.0276895), wk = 0.0020833 k( 389) = ( 0.0000000 0.3101660 0.0369193), wk = 0.0020833 k( 390) = ( 0.0000000 0.3101660 0.0461491), wk = 0.0020833 k( 391) = ( 0.0000000 0.3101660 0.0553789), wk = 0.0020833 k( 392) = ( 0.0000000 0.3101660 0.0646087), wk = 0.0020833 k( 393) = ( 0.0000000 0.3101660 0.0738386), wk = 0.0020833 k( 394) = ( 0.0000000 0.3101660 0.0830684), wk = 0.0020833 k( 395) = ( 0.0000000 0.3101660 0.0922982), wk = 0.0020833 k( 396) = ( 0.0000000 0.3101660 0.1015280), wk = 0.0020833 k( 397) = ( 0.0000000 0.3101660 0.1107578), wk = 0.0020833 k( 398) = ( 0.0000000 0.3101660 0.1199877), wk = 0.0020833 k( 399) = ( 0.0000000 0.3101660 0.1292175), wk = 0.0020833 k( 400) = ( 0.0000000 0.3101660 0.1384473), wk = 0.0020833 k( 401) = ( 0.0000000 0.3101660 0.1476771), wk = 0.0020833 k( 402) = ( 0.0000000 0.3101660 0.1569069), wk = 0.0020833 k( 403) = ( 0.0000000 0.3101660 0.1661367), wk = 0.0020833 k( 404) = ( 0.0000000 0.3101660 0.1753666), wk = 0.0020833 k( 405) = ( 0.0000000 0.3101660 0.1845964), wk = 0.0020833 k( 406) = ( 0.0000000 0.3101660 0.1938262), wk = 0.0020833 k( 407) = ( 0.0000000 0.3101660 0.2030560), wk = 0.0020833 k( 408) = ( 0.0000000 0.3101660 0.2122858), wk = 0.0020833 k( 409) = ( 0.0000000 0.3101660 0.2215157), wk = 0.0020833 k( 410) = ( 0.0000000 0.3101660 0.2307455), wk = 0.0020833 k( 411) = ( 0.0000000 0.3101660 0.2399753), wk = 0.0020833 k( 412) = ( 0.0000000 0.3101660 0.2492051), wk = 0.0020833 k( 413) = ( 0.0000000 0.3101660 0.2584349), wk = 0.0020833 k( 414) = ( 0.0000000 0.3101660 0.2676648), wk = 0.0020833 k( 415) = ( 0.0000000 0.3101660 0.2768946), wk = 0.0020833 k( 416) = ( 0.0000000 0.3101660 0.2861244), wk = 0.0020833 k( 417) = ( 0.5000000 -0.0000000 0.2861244), wk = 0.0020833 k( 418) = ( 0.5000000 -0.0000000 0.2768946), wk = 0.0020833 k( 419) = ( 0.5000000 -0.0000000 0.2676648), wk = 0.0020833 k( 420) = ( 0.5000000 -0.0000000 0.2584349), wk = 0.0020833 k( 421) = ( 0.5000000 -0.0000000 0.2492051), wk = 0.0020833 k( 422) = ( 0.5000000 -0.0000000 0.2399753), wk = 0.0020833 k( 423) = ( 0.5000000 -0.0000000 0.2307455), wk = 0.0020833 k( 424) = ( 0.5000000 -0.0000000 0.2215157), wk = 0.0020833 k( 425) = ( 0.5000000 -0.0000000 0.2122858), wk = 0.0020833 k( 426) = ( 0.5000000 -0.0000000 0.2030560), wk = 0.0020833 k( 427) = ( 0.5000000 -0.0000000 0.1938262), wk = 0.0020833 k( 428) = ( 0.5000000 -0.0000000 0.1845964), wk = 0.0020833 k( 429) = ( 0.5000000 -0.0000000 0.1753666), wk = 0.0020833 k( 430) = ( 0.5000000 -0.0000000 0.1661367), wk = 0.0020833 k( 431) = ( 0.5000000 -0.0000000 0.1569069), wk = 0.0020833 k( 432) = ( 0.5000000 -0.0000000 0.1476771), wk = 0.0020833 k( 433) = ( 0.5000000 -0.0000000 0.1384473), wk = 0.0020833 k( 434) = ( 0.5000000 -0.0000000 0.1292175), wk = 0.0020833 k( 435) = ( 0.5000000 -0.0000000 0.1199877), wk = 0.0020833 k( 436) = ( 0.5000000 -0.0000000 0.1107578), wk = 0.0020833 k( 437) = ( 0.5000000 -0.0000000 0.1015280), wk = 0.0020833 k( 438) = ( 0.5000000 -0.0000000 0.0922982), wk = 0.0020833 k( 439) = ( 0.5000000 -0.0000000 0.0830684), wk = 0.0020833 k( 440) = ( 0.5000000 -0.0000000 0.0738386), wk = 0.0020833 k( 441) = ( 0.5000000 -0.0000000 0.0646087), wk = 0.0020833 k( 442) = ( 0.5000000 -0.0000000 0.0553789), wk = 0.0020833 k( 443) = ( 0.5000000 -0.0000000 0.0461491), wk = 0.0020833 k( 444) = ( 0.5000000 -0.0000000 0.0369193), wk = 0.0020833 k( 445) = ( 0.5000000 -0.0000000 0.0276895), wk = 0.0020833 k( 446) = ( 0.5000000 -0.0000000 0.0184596), wk = 0.0020833 k( 447) = ( 0.5000000 -0.0000000 0.0092298), wk = 0.0020833 k( 448) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020833 k( 449) = ( 0.5000000 0.3101660 -0.0000000), wk = 0.0020833 k( 450) = ( 0.5000000 0.3101660 0.0092298), wk = 0.0020833 k( 451) = ( 0.5000000 0.3101660 0.0184596), wk = 0.0020833 k( 452) = ( 0.5000000 0.3101660 0.0276895), wk = 0.0020833 k( 453) = ( 0.5000000 0.3101660 0.0369193), wk = 0.0020833 k( 454) = ( 0.5000000 0.3101660 0.0461491), wk = 0.0020833 k( 455) = ( 0.5000000 0.3101660 0.0553789), wk = 0.0020833 k( 456) = ( 0.5000000 0.3101660 0.0646087), wk = 0.0020833 k( 457) = ( 0.5000000 0.3101660 0.0738386), wk = 0.0020833 k( 458) = ( 0.5000000 0.3101660 0.0830684), wk = 0.0020833 k( 459) = ( 0.5000000 0.3101660 0.0922982), wk = 0.0020833 k( 460) = ( 0.5000000 0.3101660 0.1015280), wk = 0.0020833 k( 461) = ( 0.5000000 0.3101660 0.1107578), wk = 0.0020833 k( 462) = ( 0.5000000 0.3101660 0.1199877), wk = 0.0020833 k( 463) = ( 0.5000000 0.3101660 0.1292175), wk = 0.0020833 k( 464) = ( 0.5000000 0.3101660 0.1384473), wk = 0.0020833 k( 465) = ( 0.5000000 0.3101660 0.1476771), wk = 0.0020833 k( 466) = ( 0.5000000 0.3101660 0.1569069), wk = 0.0020833 k( 467) = ( 0.5000000 0.3101660 0.1661367), wk = 0.0020833 k( 468) = ( 0.5000000 0.3101660 0.1753666), wk = 0.0020833 k( 469) = ( 0.5000000 0.3101660 0.1845964), wk = 0.0020833 k( 470) = ( 0.5000000 0.3101660 0.1938262), wk = 0.0020833 k( 471) = ( 0.5000000 0.3101660 0.2030560), wk = 0.0020833 k( 472) = ( 0.5000000 0.3101660 0.2122858), wk = 0.0020833 k( 473) = ( 0.5000000 0.3101660 0.2215157), wk = 0.0020833 k( 474) = ( 0.5000000 0.3101660 0.2307455), wk = 0.0020833 k( 475) = ( 0.5000000 0.3101660 0.2399753), wk = 0.0020833 k( 476) = ( 0.5000000 0.3101660 0.2492051), wk = 0.0020833 k( 477) = ( 0.5000000 0.3101660 0.2584349), wk = 0.0020833 k( 478) = ( 0.5000000 0.3101660 0.2676648), wk = 0.0020833 k( 479) = ( 0.5000000 0.3101660 0.2768946), wk = 0.0020833 k( 480) = ( 0.5000000 0.3101660 0.2861244), wk = 0.0020833 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 2) = ( 0.0094340 0.0000000 0.0000000), wk = 0.0020833 k( 3) = ( 0.0188679 0.0000000 0.0000000), wk = 0.0020833 k( 4) = ( 0.0283019 0.0000000 0.0000000), wk = 0.0020833 k( 5) = ( 0.0377359 0.0000000 0.0000000), wk = 0.0020833 k( 6) = ( 0.0471698 0.0000000 0.0000000), wk = 0.0020833 k( 7) = ( 0.0566038 0.0000000 -0.0000000), wk = 0.0020833 k( 8) = ( 0.0660377 0.0000000 -0.0000000), wk = 0.0020833 k( 9) = ( 0.0754717 0.0000000 0.0000000), wk = 0.0020833 k( 10) = ( 0.0849057 0.0000000 0.0000000), wk = 0.0020833 k( 11) = ( 0.0943396 0.0000000 0.0000000), wk = 0.0020833 k( 12) = ( 0.1037736 0.0000000 0.0000000), wk = 0.0020833 k( 13) = ( 0.1132076 0.0000000 0.0000000), wk = 0.0020833 k( 14) = ( 0.1226415 0.0000000 0.0000000), wk = 0.0020833 k( 15) = ( 0.1320755 0.0000000 -0.0000000), wk = 0.0020833 k( 16) = ( 0.1415094 0.0000000 -0.0000000), wk = 0.0020833 k( 17) = ( 0.1509434 0.0000000 0.0000000), wk = 0.0020833 k( 18) = ( 0.1603774 0.0000000 0.0000000), wk = 0.0020833 k( 19) = ( 0.1698113 0.0000000 0.0000000), wk = 0.0020833 k( 20) = ( 0.1792453 0.0000000 0.0000000), wk = 0.0020833 k( 21) = ( 0.1886792 0.0000000 0.0000000), wk = 0.0020833 k( 22) = ( 0.1981132 0.0000000 0.0000000), wk = 0.0020833 k( 23) = ( 0.2075472 0.0000000 0.0000000), wk = 0.0020833 k( 24) = ( 0.2169811 0.0000000 -0.0000000), wk = 0.0020833 k( 25) = ( 0.2264151 0.0000000 -0.0000000), wk = 0.0020833 k( 26) = ( 0.2358491 0.0000000 0.0000000), wk = 0.0020833 k( 27) = ( 0.2452830 0.0000000 0.0000000), wk = 0.0020833 k( 28) = ( 0.2547170 0.0000000 0.0000000), wk = 0.0020833 k( 29) = ( 0.2641509 0.0000000 -0.0000000), wk = 0.0020833 k( 30) = ( 0.2735849 0.0000000 0.0000000), wk = 0.0020833 k( 31) = ( 0.2830189 0.0000000 0.0000000), wk = 0.0020833 k( 32) = ( 0.2924528 0.0000000 0.0000000), wk = 0.0020833 k( 33) = ( 0.3018868 0.0000000 0.0000000), wk = 0.0020833 k( 34) = ( 0.3113207 0.0000000 0.0000000), wk = 0.0020833 k( 35) = ( 0.3207547 0.0000000 0.0000000), wk = 0.0020833 k( 36) = ( 0.3301887 0.0000000 0.0000000), wk = 0.0020833 k( 37) = ( 0.3396226 0.0000000 0.0000000), wk = 0.0020833 k( 38) = ( 0.3490566 0.0000000 0.0000000), wk = 0.0020833 k( 39) = ( 0.3584906 0.0000000 0.0000000), wk = 0.0020833 k( 40) = ( 0.3679245 0.0000000 -0.0000000), wk = 0.0020833 k( 41) = ( 0.3773585 0.0000000 0.0000000), wk = 0.0020833 k( 42) = ( 0.3867925 0.0000000 -0.0000000), wk = 0.0020833 k( 43) = ( 0.3962264 0.0000000 0.0000000), wk = 0.0020833 k( 44) = ( 0.4056604 0.0000000 0.0000000), wk = 0.0020833 k( 45) = ( 0.4150943 0.0000000 0.0000000), wk = 0.0020833 k( 46) = ( 0.4245283 0.0000000 0.0000000), wk = 0.0020833 k( 47) = ( 0.4339623 0.0000000 -0.0000000), wk = 0.0020833 k( 48) = ( 0.4433962 0.0000000 0.0000000), wk = 0.0020833 k( 49) = ( 0.4528302 0.0000000 0.0000000), wk = 0.0020833 k( 50) = ( 0.4622641 0.0000000 0.0000000), wk = 0.0020833 k( 51) = ( 0.4716981 0.0000000 -0.0000000), wk = 0.0020833 k( 52) = ( 0.4811321 0.0000000 0.0000000), wk = 0.0020833 k( 53) = ( 0.4905660 0.0000000 0.0000000), wk = 0.0020833 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020833 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020833 k( 56) = ( 0.5000000 0.0151515 0.0000000), wk = 0.0020833 k( 57) = ( 0.5000000 0.0303030 0.0000000), wk = 0.0020833 k( 58) = ( 0.5000000 0.0454546 0.0000000), wk = 0.0020833 k( 59) = ( 0.5000000 0.0606061 0.0000000), wk = 0.0020833 k( 60) = ( 0.5000000 0.0757576 0.0000000), wk = 0.0020833 k( 61) = ( 0.5000000 0.0909091 0.0000000), wk = 0.0020833 k( 62) = ( 0.5000000 0.1060606 0.0000000), wk = 0.0020833 k( 63) = ( 0.5000000 0.1212121 0.0000000), wk = 0.0020833 k( 64) = ( 0.5000000 0.1363636 0.0000000), wk = 0.0020833 k( 65) = ( 0.5000000 0.1515151 0.0000000), wk = 0.0020833 k( 66) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0020833 k( 67) = ( 0.5000000 0.1818182 -0.0000000), wk = 0.0020833 k( 68) = ( 0.5000000 0.1969697 0.0000000), wk = 0.0020833 k( 69) = ( 0.5000000 0.2121212 -0.0000000), wk = 0.0020833 k( 70) = ( 0.5000000 0.2272727 0.0000000), wk = 0.0020833 k( 71) = ( 0.5000000 0.2424242 0.0000000), wk = 0.0020833 k( 72) = ( 0.5000000 0.2575758 -0.0000000), wk = 0.0020833 k( 73) = ( 0.5000000 0.2727273 0.0000000), wk = 0.0020833 k( 74) = ( 0.5000000 0.2878788 0.0000000), wk = 0.0020833 k( 75) = ( 0.5000000 0.3030303 0.0000000), wk = 0.0020833 k( 76) = ( 0.5000000 0.3181818 0.0000000), wk = 0.0020833 k( 77) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0020833 k( 78) = ( 0.5000000 0.3484848 0.0000000), wk = 0.0020833 k( 79) = ( 0.5000000 0.3636364 0.0000000), wk = 0.0020833 k( 80) = ( 0.5000000 0.3787879 0.0000000), wk = 0.0020833 k( 81) = ( 0.5000000 0.3939394 0.0000000), wk = 0.0020833 k( 82) = ( 0.5000000 0.4090909 0.0000000), wk = 0.0020833 k( 83) = ( 0.5000000 0.4242424 0.0000000), wk = 0.0020833 k( 84) = ( 0.5000000 0.4393939 -0.0000000), wk = 0.0020833 k( 85) = ( 0.5000000 0.4545454 0.0000000), wk = 0.0020833 k( 86) = ( 0.5000000 0.4696970 0.0000000), wk = 0.0020833 k( 87) = ( 0.5000000 0.4848485 -0.0000000), wk = 0.0020833 k( 88) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020833 k( 89) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020833 k( 90) = ( 0.4905660 0.5000000 0.0000000), wk = 0.0020833 k( 91) = ( 0.4811321 0.5000000 0.0000000), wk = 0.0020833 k( 92) = ( 0.4716981 0.5000000 0.0000000), wk = 0.0020833 k( 93) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0020833 k( 94) = ( 0.4528302 0.5000000 0.0000000), wk = 0.0020833 k( 95) = ( 0.4433962 0.5000000 0.0000000), wk = 0.0020833 k( 96) = ( 0.4339623 0.5000000 0.0000000), wk = 0.0020833 k( 97) = ( 0.4245283 0.5000000 0.0000000), wk = 0.0020833 k( 98) = ( 0.4150943 0.5000000 0.0000000), wk = 0.0020833 k( 99) = ( 0.4056604 0.5000000 0.0000000), wk = 0.0020833 k( 100) = ( 0.3962264 0.5000000 0.0000000), wk = 0.0020833 k( 101) = ( 0.3867925 0.5000000 0.0000000), wk = 0.0020833 k( 102) = ( 0.3773585 0.5000000 0.0000000), wk = 0.0020833 k( 103) = ( 0.3679245 0.5000000 0.0000000), wk = 0.0020833 k( 104) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0020833 k( 105) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0020833 k( 106) = ( 0.3396226 0.5000000 0.0000000), wk = 0.0020833 k( 107) = ( 0.3301887 0.5000000 0.0000000), wk = 0.0020833 k( 108) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0020833 k( 109) = ( 0.3113207 0.5000000 0.0000000), wk = 0.0020833 k( 110) = ( 0.3018868 0.5000000 -0.0000000), wk = 0.0020833 k( 111) = ( 0.2924528 0.5000000 0.0000000), wk = 0.0020833 k( 112) = ( 0.2830189 0.5000000 0.0000000), wk = 0.0020833 k( 113) = ( 0.2735849 0.5000000 0.0000000), wk = 0.0020833 k( 114) = ( 0.2641509 0.5000000 0.0000000), wk = 0.0020833 k( 115) = ( 0.2547170 0.5000000 0.0000000), wk = 0.0020833 k( 116) = ( 0.2452830 0.5000000 0.0000000), wk = 0.0020833 k( 117) = ( 0.2358491 0.5000000 0.0000000), wk = 0.0020833 k( 118) = ( 0.2264151 0.5000000 0.0000000), wk = 0.0020833 k( 119) = ( 0.2169811 0.5000000 0.0000000), wk = 0.0020833 k( 120) = ( 0.2075472 0.5000000 0.0000000), wk = 0.0020833 k( 121) = ( 0.1981132 0.5000000 0.0000000), wk = 0.0020833 k( 122) = ( 0.1886792 0.5000000 0.0000000), wk = 0.0020833 k( 123) = ( 0.1792453 0.5000000 0.0000000), wk = 0.0020833 k( 124) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0020833 k( 125) = ( 0.1603774 0.5000000 0.0000000), wk = 0.0020833 k( 126) = ( 0.1509434 0.5000000 0.0000000), wk = 0.0020833 k( 127) = ( 0.1415094 0.5000000 -0.0000000), wk = 0.0020833 k( 128) = ( 0.1320755 0.5000000 0.0000000), wk = 0.0020833 k( 129) = ( 0.1226415 0.5000000 -0.0000000), wk = 0.0020833 k( 130) = ( 0.1132076 0.5000000 0.0000000), wk = 0.0020833 k( 131) = ( 0.1037736 0.5000000 0.0000000), wk = 0.0020833 k( 132) = ( 0.0943396 0.5000000 0.0000000), wk = 0.0020833 k( 133) = ( 0.0849057 0.5000000 0.0000000), wk = 0.0020833 k( 134) = ( 0.0754717 0.5000000 0.0000000), wk = 0.0020833 k( 135) = ( 0.0660377 0.5000000 0.0000000), wk = 0.0020833 k( 136) = ( 0.0566038 0.5000000 0.0000000), wk = 0.0020833 k( 137) = ( 0.0471698 0.5000000 0.0000000), wk = 0.0020833 k( 138) = ( 0.0377359 0.5000000 0.0000000), wk = 0.0020833 k( 139) = ( 0.0283019 0.5000000 0.0000000), wk = 0.0020833 k( 140) = ( 0.0188679 0.5000000 0.0000000), wk = 0.0020833 k( 141) = ( 0.0094340 0.5000000 0.0000000), wk = 0.0020833 k( 142) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020833 k( 143) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020833 k( 144) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0020833 k( 145) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0020833 k( 146) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0020833 k( 147) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0020833 k( 148) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0020833 k( 149) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0020833 k( 150) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0020833 k( 151) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0020833 k( 152) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0020833 k( 153) = ( 0.0000000 0.3484848 -0.0000000), wk = 0.0020833 k( 154) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0020833 k( 155) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0020833 k( 156) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0020833 k( 157) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0020833 k( 158) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0020833 k( 159) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0020833 k( 160) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0020833 k( 161) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0020833 k( 162) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0020833 k( 163) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0020833 k( 164) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0020833 k( 165) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0020833 k( 166) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0020833 k( 167) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0020833 k( 168) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0020833 k( 169) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0020833 k( 170) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0020833 k( 171) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0020833 k( 172) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0020833 k( 173) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0020833 k( 174) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0020833 k( 175) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0020833 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020833 k( 178) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0020833 k( 179) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0020833 k( 180) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0020833 k( 181) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0020833 k( 182) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0020833 k( 183) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0020833 k( 184) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0020833 k( 185) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0020833 k( 186) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0020833 k( 187) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0020833 k( 188) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0020833 k( 189) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0020833 k( 190) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0020833 k( 191) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0020833 k( 192) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0020833 k( 193) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0020833 k( 194) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0020833 k( 195) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0020833 k( 196) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0020833 k( 197) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0020833 k( 198) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0020833 k( 199) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0020833 k( 200) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0020833 k( 201) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0020833 k( 202) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0020833 k( 203) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0020833 k( 204) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0020833 k( 205) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0020833 k( 206) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0020833 k( 207) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0020833 k( 208) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020833 k( 209) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020833 k( 210) = ( 0.0094340 0.0000000 0.5000000), wk = 0.0020833 k( 211) = ( 0.0188679 0.0000000 0.5000000), wk = 0.0020833 k( 212) = ( 0.0283019 0.0000000 0.5000000), wk = 0.0020833 k( 213) = ( 0.0377359 0.0000000 0.5000000), wk = 0.0020833 k( 214) = ( 0.0471698 0.0000000 0.5000000), wk = 0.0020833 k( 215) = ( 0.0566038 0.0000000 0.5000000), wk = 0.0020833 k( 216) = ( 0.0660377 0.0000000 0.5000000), wk = 0.0020833 k( 217) = ( 0.0754717 0.0000000 0.5000000), wk = 0.0020833 k( 218) = ( 0.0849057 0.0000000 0.5000000), wk = 0.0020833 k( 219) = ( 0.0943396 0.0000000 0.5000000), wk = 0.0020833 k( 220) = ( 0.1037736 0.0000000 0.5000000), wk = 0.0020833 k( 221) = ( 0.1132076 0.0000000 0.5000000), wk = 0.0020833 k( 222) = ( 0.1226415 0.0000000 0.5000000), wk = 0.0020833 k( 223) = ( 0.1320755 0.0000000 0.5000000), wk = 0.0020833 k( 224) = ( 0.1415094 0.0000000 0.5000000), wk = 0.0020833 k( 225) = ( 0.1509434 0.0000000 0.5000000), wk = 0.0020833 k( 226) = ( 0.1603774 0.0000000 0.5000000), wk = 0.0020833 k( 227) = ( 0.1698113 0.0000000 0.5000000), wk = 0.0020833 k( 228) = ( 0.1792453 0.0000000 0.5000000), wk = 0.0020833 k( 229) = ( 0.1886792 0.0000000 0.5000000), wk = 0.0020833 k( 230) = ( 0.1981132 0.0000000 0.5000000), wk = 0.0020833 k( 231) = ( 0.2075472 0.0000000 0.5000000), wk = 0.0020833 k( 232) = ( 0.2169811 0.0000000 0.5000000), wk = 0.0020833 k( 233) = ( 0.2264151 0.0000000 0.5000000), wk = 0.0020833 k( 234) = ( 0.2358491 0.0000000 0.5000000), wk = 0.0020833 k( 235) = ( 0.2452830 0.0000000 0.5000000), wk = 0.0020833 k( 236) = ( 0.2547170 0.0000000 0.5000000), wk = 0.0020833 k( 237) = ( 0.2641509 0.0000000 0.5000000), wk = 0.0020833 k( 238) = ( 0.2735849 0.0000000 0.5000000), wk = 0.0020833 k( 239) = ( 0.2830189 0.0000000 0.5000000), wk = 0.0020833 k( 240) = ( 0.2924528 0.0000000 0.5000000), wk = 0.0020833 k( 241) = ( 0.3018868 0.0000000 0.5000000), wk = 0.0020833 k( 242) = ( 0.3113207 0.0000000 0.5000000), wk = 0.0020833 k( 243) = ( 0.3207547 0.0000000 0.5000000), wk = 0.0020833 k( 244) = ( 0.3301887 0.0000000 0.5000000), wk = 0.0020833 k( 245) = ( 0.3396226 0.0000000 0.5000000), wk = 0.0020833 k( 246) = ( 0.3490566 0.0000000 0.5000000), wk = 0.0020833 k( 247) = ( 0.3584906 0.0000000 0.5000000), wk = 0.0020833 k( 248) = ( 0.3679245 0.0000000 0.5000000), wk = 0.0020833 k( 249) = ( 0.3773585 0.0000000 0.5000000), wk = 0.0020833 k( 250) = ( 0.3867925 0.0000000 0.5000000), wk = 0.0020833 k( 251) = ( 0.3962264 0.0000000 0.5000000), wk = 0.0020833 k( 252) = ( 0.4056604 0.0000000 0.5000000), wk = 0.0020833 k( 253) = ( 0.4150943 0.0000000 0.5000000), wk = 0.0020833 k( 254) = ( 0.4245283 0.0000000 0.5000000), wk = 0.0020833 k( 255) = ( 0.4339623 0.0000000 0.5000000), wk = 0.0020833 k( 256) = ( 0.4433962 0.0000000 0.5000000), wk = 0.0020833 k( 257) = ( 0.4528302 0.0000000 0.5000000), wk = 0.0020833 k( 258) = ( 0.4622641 0.0000000 0.5000000), wk = 0.0020833 k( 259) = ( 0.4716981 0.0000000 0.5000000), wk = 0.0020833 k( 260) = ( 0.4811321 0.0000000 0.5000000), wk = 0.0020833 k( 261) = ( 0.4905660 0.0000000 0.5000000), wk = 0.0020833 k( 262) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020833 k( 263) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020833 k( 264) = ( 0.5000000 0.0151515 0.5000000), wk = 0.0020833 k( 265) = ( 0.5000000 0.0303030 0.5000000), wk = 0.0020833 k( 266) = ( 0.5000000 0.0454546 0.5000000), wk = 0.0020833 k( 267) = ( 0.5000000 0.0606061 0.5000000), wk = 0.0020833 k( 268) = ( 0.5000000 0.0757576 0.5000000), wk = 0.0020833 k( 269) = ( 0.5000000 0.0909091 0.5000000), wk = 0.0020833 k( 270) = ( 0.5000000 0.1060606 0.5000000), wk = 0.0020833 k( 271) = ( 0.5000000 0.1212121 0.5000000), wk = 0.0020833 k( 272) = ( 0.5000000 0.1363636 0.5000000), wk = 0.0020833 k( 273) = ( 0.5000000 0.1515151 0.5000000), wk = 0.0020833 k( 274) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0020833 k( 275) = ( 0.5000000 0.1818182 0.5000000), wk = 0.0020833 k( 276) = ( 0.5000000 0.1969697 0.5000000), wk = 0.0020833 k( 277) = ( 0.5000000 0.2121212 0.5000000), wk = 0.0020833 k( 278) = ( 0.5000000 0.2272727 0.5000000), wk = 0.0020833 k( 279) = ( 0.5000000 0.2424242 0.5000000), wk = 0.0020833 k( 280) = ( 0.5000000 0.2575758 0.5000000), wk = 0.0020833 k( 281) = ( 0.5000000 0.2727273 0.5000000), wk = 0.0020833 k( 282) = ( 0.5000000 0.2878788 0.5000000), wk = 0.0020833 k( 283) = ( 0.5000000 0.3030303 0.5000000), wk = 0.0020833 k( 284) = ( 0.5000000 0.3181818 0.5000000), wk = 0.0020833 k( 285) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0020833 k( 286) = ( 0.5000000 0.3484848 0.5000000), wk = 0.0020833 k( 287) = ( 0.5000000 0.3636364 0.5000000), wk = 0.0020833 k( 288) = ( 0.5000000 0.3787879 0.5000000), wk = 0.0020833 k( 289) = ( 0.5000000 0.3939394 0.5000000), wk = 0.0020833 k( 290) = ( 0.5000000 0.4090909 0.5000000), wk = 0.0020833 k( 291) = ( 0.5000000 0.4242424 0.5000000), wk = 0.0020833 k( 292) = ( 0.5000000 0.4393939 0.5000000), wk = 0.0020833 k( 293) = ( 0.5000000 0.4545454 0.5000000), wk = 0.0020833 k( 294) = ( 0.5000000 0.4696970 0.5000000), wk = 0.0020833 k( 295) = ( 0.5000000 0.4848485 0.5000000), wk = 0.0020833 k( 296) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020833 k( 297) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020833 k( 298) = ( 0.4905660 0.5000000 0.5000000), wk = 0.0020833 k( 299) = ( 0.4811321 0.5000000 0.5000000), wk = 0.0020833 k( 300) = ( 0.4716981 0.5000000 0.5000000), wk = 0.0020833 k( 301) = ( 0.4622641 0.5000000 0.5000000), wk = 0.0020833 k( 302) = ( 0.4528302 0.5000000 0.5000000), wk = 0.0020833 k( 303) = ( 0.4433962 0.5000000 0.5000000), wk = 0.0020833 k( 304) = ( 0.4339623 0.5000000 0.5000000), wk = 0.0020833 k( 305) = ( 0.4245283 0.5000000 0.5000000), wk = 0.0020833 k( 306) = ( 0.4150943 0.5000000 0.5000000), wk = 0.0020833 k( 307) = ( 0.4056604 0.5000000 0.5000000), wk = 0.0020833 k( 308) = ( 0.3962264 0.5000000 0.5000000), wk = 0.0020833 k( 309) = ( 0.3867925 0.5000000 0.5000000), wk = 0.0020833 k( 310) = ( 0.3773585 0.5000000 0.5000000), wk = 0.0020833 k( 311) = ( 0.3679245 0.5000000 0.5000000), wk = 0.0020833 k( 312) = ( 0.3584906 0.5000000 0.5000000), wk = 0.0020833 k( 313) = ( 0.3490566 0.5000000 0.5000000), wk = 0.0020833 k( 314) = ( 0.3396226 0.5000000 0.5000000), wk = 0.0020833 k( 315) = ( 0.3301887 0.5000000 0.5000000), wk = 0.0020833 k( 316) = ( 0.3207547 0.5000000 0.5000000), wk = 0.0020833 k( 317) = ( 0.3113207 0.5000000 0.5000000), wk = 0.0020833 k( 318) = ( 0.3018868 0.5000000 0.5000000), wk = 0.0020833 k( 319) = ( 0.2924528 0.5000000 0.5000000), wk = 0.0020833 k( 320) = ( 0.2830189 0.5000000 0.5000000), wk = 0.0020833 k( 321) = ( 0.2735849 0.5000000 0.5000000), wk = 0.0020833 k( 322) = ( 0.2641509 0.5000000 0.5000000), wk = 0.0020833 k( 323) = ( 0.2547170 0.5000000 0.5000000), wk = 0.0020833 k( 324) = ( 0.2452830 0.5000000 0.5000000), wk = 0.0020833 k( 325) = ( 0.2358491 0.5000000 0.5000000), wk = 0.0020833 k( 326) = ( 0.2264151 0.5000000 0.5000000), wk = 0.0020833 k( 327) = ( 0.2169811 0.5000000 0.5000000), wk = 0.0020833 k( 328) = ( 0.2075472 0.5000000 0.5000000), wk = 0.0020833 k( 329) = ( 0.1981132 0.5000000 0.5000000), wk = 0.0020833 k( 330) = ( 0.1886792 0.5000000 0.5000000), wk = 0.0020833 k( 331) = ( 0.1792453 0.5000000 0.5000000), wk = 0.0020833 k( 332) = ( 0.1698113 0.5000000 0.5000000), wk = 0.0020833 k( 333) = ( 0.1603774 0.5000000 0.5000000), wk = 0.0020833 k( 334) = ( 0.1509434 0.5000000 0.5000000), wk = 0.0020833 k( 335) = ( 0.1415094 0.5000000 0.5000000), wk = 0.0020833 k( 336) = ( 0.1320755 0.5000000 0.5000000), wk = 0.0020833 k( 337) = ( 0.1226415 0.5000000 0.5000000), wk = 0.0020833 k( 338) = ( 0.1132076 0.5000000 0.5000000), wk = 0.0020833 k( 339) = ( 0.1037736 0.5000000 0.5000000), wk = 0.0020833 k( 340) = ( 0.0943396 0.5000000 0.5000000), wk = 0.0020833 k( 341) = ( 0.0849057 0.5000000 0.5000000), wk = 0.0020833 k( 342) = ( 0.0754717 0.5000000 0.5000000), wk = 0.0020833 k( 343) = ( 0.0660377 0.5000000 0.5000000), wk = 0.0020833 k( 344) = ( 0.0566038 0.5000000 0.5000000), wk = 0.0020833 k( 345) = ( 0.0471698 0.5000000 0.5000000), wk = 0.0020833 k( 346) = ( 0.0377359 0.5000000 0.5000000), wk = 0.0020833 k( 347) = ( 0.0283019 0.5000000 0.5000000), wk = 0.0020833 k( 348) = ( 0.0188679 0.5000000 0.5000000), wk = 0.0020833 k( 349) = ( 0.0094340 0.5000000 0.5000000), wk = 0.0020833 k( 350) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020833 k( 351) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020833 k( 352) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0020833 k( 353) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0020833 k( 354) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0020833 k( 355) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0020833 k( 356) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0020833 k( 357) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0020833 k( 358) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0020833 k( 359) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0020833 k( 360) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0020833 k( 361) = ( 0.0000000 0.3484848 0.5000000), wk = 0.0020833 k( 362) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0020833 k( 363) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0020833 k( 364) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0020833 k( 365) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0020833 k( 366) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0020833 k( 367) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0020833 k( 368) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0020833 k( 369) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0020833 k( 370) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0020833 k( 371) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0020833 k( 372) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0020833 k( 373) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0020833 k( 374) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0020833 k( 375) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0020833 k( 376) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0020833 k( 377) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0020833 k( 378) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0020833 k( 379) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0020833 k( 380) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0020833 k( 381) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0020833 k( 382) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0020833 k( 383) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0020833 k( 384) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020833 k( 385) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020833 k( 386) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0020833 k( 387) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0020833 k( 388) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0020833 k( 389) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0020833 k( 390) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0020833 k( 391) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0020833 k( 392) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0020833 k( 393) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0020833 k( 394) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0020833 k( 395) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0020833 k( 396) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0020833 k( 397) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0020833 k( 398) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0020833 k( 399) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0020833 k( 400) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0020833 k( 401) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0020833 k( 402) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0020833 k( 403) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0020833 k( 404) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0020833 k( 405) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0020833 k( 406) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0020833 k( 407) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0020833 k( 408) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0020833 k( 409) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0020833 k( 410) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0020833 k( 411) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0020833 k( 412) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0020833 k( 413) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0020833 k( 414) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0020833 k( 415) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0020833 k( 416) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020833 k( 417) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020833 k( 418) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0020833 k( 419) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0020833 k( 420) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0020833 k( 421) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0020833 k( 422) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0020833 k( 423) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0020833 k( 424) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0020833 k( 425) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0020833 k( 426) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0020833 k( 427) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0020833 k( 428) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0020833 k( 429) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0020833 k( 430) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0020833 k( 431) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0020833 k( 432) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0020833 k( 433) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0020833 k( 434) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0020833 k( 435) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0020833 k( 436) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0020833 k( 437) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0020833 k( 438) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0020833 k( 439) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0020833 k( 440) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0020833 k( 441) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0020833 k( 442) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0020833 k( 443) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0020833 k( 444) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0020833 k( 445) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0020833 k( 446) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0020833 k( 447) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0020833 k( 448) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020833 k( 449) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020833 k( 450) = ( 0.5000000 0.5000000 0.0161290), wk = 0.0020833 k( 451) = ( 0.5000000 0.5000000 0.0322581), wk = 0.0020833 k( 452) = ( 0.5000000 0.5000000 0.0483871), wk = 0.0020833 k( 453) = ( 0.5000000 0.5000000 0.0645161), wk = 0.0020833 k( 454) = ( 0.5000000 0.5000000 0.0806452), wk = 0.0020833 k( 455) = ( 0.5000000 0.5000000 0.0967742), wk = 0.0020833 k( 456) = ( 0.5000000 0.5000000 0.1129032), wk = 0.0020833 k( 457) = ( 0.5000000 0.5000000 0.1290323), wk = 0.0020833 k( 458) = ( 0.5000000 0.5000000 0.1451613), wk = 0.0020833 k( 459) = ( 0.5000000 0.5000000 0.1612903), wk = 0.0020833 k( 460) = ( 0.5000000 0.5000000 0.1774194), wk = 0.0020833 k( 461) = ( 0.5000000 0.5000000 0.1935484), wk = 0.0020833 k( 462) = ( 0.5000000 0.5000000 0.2096774), wk = 0.0020833 k( 463) = ( 0.5000000 0.5000000 0.2258064), wk = 0.0020833 k( 464) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0020833 k( 465) = ( 0.5000000 0.5000000 0.2580645), wk = 0.0020833 k( 466) = ( 0.5000000 0.5000000 0.2741936), wk = 0.0020833 k( 467) = ( 0.5000000 0.5000000 0.2903226), wk = 0.0020833 k( 468) = ( 0.5000000 0.5000000 0.3064516), wk = 0.0020833 k( 469) = ( 0.5000000 0.5000000 0.3225807), wk = 0.0020833 k( 470) = ( 0.5000000 0.5000000 0.3387097), wk = 0.0020833 k( 471) = ( 0.5000000 0.5000000 0.3548387), wk = 0.0020833 k( 472) = ( 0.5000000 0.5000000 0.3709677), wk = 0.0020833 k( 473) = ( 0.5000000 0.5000000 0.3870968), wk = 0.0020833 k( 474) = ( 0.5000000 0.5000000 0.4032258), wk = 0.0020833 k( 475) = ( 0.5000000 0.5000000 0.4193548), wk = 0.0020833 k( 476) = ( 0.5000000 0.5000000 0.4354839), wk = 0.0020833 k( 477) = ( 0.5000000 0.5000000 0.4516129), wk = 0.0020833 k( 478) = ( 0.5000000 0.5000000 0.4677419), wk = 0.0020833 k( 479) = ( 0.5000000 0.5000000 0.4838710), wk = 0.0020833 k( 480) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020833 Dense grid: 32311 G-vectors FFT dimensions: ( 27, 45, 50) Smooth grid: 21445 G-vectors FFT dimensions: ( 25, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 168, 46) NL pseudopotentials 0.17 Mb ( 84, 136) Each V/rho on FFT grid 0.04 Mb ( 2430) Each G-vector array 0.01 Mb ( 1009) G-vector shells 0.00 Mb ( 520) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 168, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.19 Mb ( 136, 2, 46) The potential is recalculated from file : ./Ag3Sb.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 6.9 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.2 secs Computing kpt #: 12 total cpu time spent up to now is 9.8 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 10.9 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 12.1 secs Computing kpt #: 17 total cpu time spent up to now is 12.7 secs Computing kpt #: 18 total cpu time spent up to now is 13.3 secs Computing kpt #: 19 total cpu time spent up to now is 13.9 secs Computing kpt #: 20 total cpu time spent up to now is 14.5 secs Computing kpt #: 21 total cpu time spent up to now is 15.1 secs Computing kpt #: 22 total cpu time spent up to now is 15.7 secs Computing kpt #: 23 total cpu time spent up to now is 16.3 secs Computing kpt #: 24 total cpu time spent up to now is 17.0 secs Computing kpt #: 25 total cpu time spent up to now is 17.6 secs Computing kpt #: 26 total cpu time spent up to now is 18.2 secs Computing kpt #: 27 total cpu time spent up to now is 18.8 secs Computing kpt #: 28 total cpu time spent up to now is 19.5 secs Computing kpt #: 29 total cpu time spent up to now is 20.1 secs Computing kpt #: 30 total cpu time spent up to now is 20.8 secs Computing kpt #: 31 total cpu time spent up to now is 21.5 secs Computing kpt #: 32 total cpu time spent up to now is 22.2 secs Computing kpt #: 33 total cpu time spent up to now is 23.0 secs Computing kpt #: 34 total cpu time spent up to now is 23.7 secs Computing kpt #: 35 total cpu time spent up to now is 24.4 secs Computing kpt #: 36 total cpu time spent up to now is 25.1 secs Computing kpt #: 37 total cpu time spent up to now is 25.8 secs Computing kpt #: 38 total cpu time spent up to now is 26.4 secs Computing kpt #: 39 total cpu time spent up to now is 27.1 secs Computing kpt #: 40 total cpu time spent up to now is 27.8 secs Computing kpt #: 41 total cpu time spent up to now is 28.4 secs Computing kpt #: 42 total cpu time spent up to now is 29.0 secs Computing kpt #: 43 total cpu time spent up to now is 29.7 secs Computing kpt #: 44 total cpu time spent up to now is 30.3 secs Computing kpt #: 45 total cpu time spent up to now is 31.0 secs Computing kpt #: 46 total cpu time spent up to now is 31.6 secs Computing kpt #: 47 total cpu time spent up to now is 32.3 secs Computing kpt #: 48 total cpu time spent up to now is 32.9 secs Computing kpt #: 49 total cpu time spent up to now is 33.5 secs Computing kpt #: 50 total cpu time spent up to now is 34.1 secs Computing kpt #: 51 total cpu time spent up to now is 34.8 secs Computing kpt #: 52 total cpu time spent up to now is 35.4 secs Computing kpt #: 53 total cpu time spent up to now is 36.1 secs Computing kpt #: 54 total cpu time spent up to now is 36.7 secs Computing kpt #: 55 total cpu time spent up to now is 37.3 secs Computing kpt #: 56 total cpu time spent up to now is 38.0 secs Computing kpt #: 57 total cpu time spent up to now is 38.7 secs Computing kpt #: 58 total cpu time spent up to now is 39.3 secs Computing kpt #: 59 total cpu time spent up to now is 40.0 secs Computing kpt #: 60 total cpu time spent up to now is 40.7 secs Computing kpt #: 61 total cpu time spent up to now is 41.3 secs Computing kpt #: 62 total cpu time spent up to now is 42.0 secs Computing kpt #: 63 total cpu time spent up to now is 42.6 secs Computing kpt #: 64 total cpu time spent up to now is 43.2 secs Computing kpt #: 65 total cpu time spent up to now is 43.8 secs Computing kpt #: 66 total cpu time spent up to now is 44.4 secs Computing kpt #: 67 total cpu time spent up to now is 45.0 secs Computing kpt #: 68 total cpu time spent up to now is 45.5 secs Computing kpt #: 69 total cpu time spent up to now is 46.1 secs Computing kpt #: 70 total cpu time spent up to now is 46.7 secs Computing kpt #: 71 total cpu time spent up to now is 47.2 secs Computing kpt #: 72 total cpu time spent up to now is 47.8 secs Computing kpt #: 73 total cpu time spent up to now is 48.4 secs Computing kpt #: 74 total cpu time spent up to now is 49.5 secs Computing kpt #: 75 total cpu time spent up to now is 50.6 secs Computing kpt #: 76 total cpu time spent up to now is 51.7 secs Computing kpt #: 77 total cpu time spent up to now is 52.8 secs Computing kpt #: 78 total cpu time spent up to now is 53.5 secs Computing kpt #: 79 total cpu time spent up to now is 54.1 secs Computing kpt #: 80 total cpu time spent up to now is 54.7 secs Computing kpt #: 81 total cpu time spent up to now is 55.4 secs Computing kpt #: 82 total cpu time spent up to now is 56.0 secs Computing kpt #: 83 total cpu time spent up to now is 56.7 secs Computing kpt #: 84 total cpu time spent up to now is 57.3 secs Computing kpt #: 85 total cpu time spent up to now is 58.0 secs Computing kpt #: 86 total cpu time spent up to now is 58.6 secs Computing kpt #: 87 total cpu time spent up to now is 59.3 secs Computing kpt #: 88 total cpu time spent up to now is 59.9 secs Computing kpt #: 89 total cpu time spent up to now is 60.5 secs Computing kpt #: 90 total cpu time spent up to now is 61.2 secs Computing kpt #: 91 total cpu time spent up to now is 61.8 secs Computing kpt #: 92 total cpu time spent up to now is 62.5 secs Computing kpt #: 93 total cpu time spent up to now is 63.1 secs Computing kpt #: 94 total cpu time spent up to now is 63.8 secs Computing kpt #: 95 total cpu time spent up to now is 64.4 secs Computing kpt #: 96 total cpu time spent up to now is 65.1 secs Computing kpt #: 97 total cpu time spent up to now is 65.7 secs Computing kpt #: 98 total cpu time spent up to now is 66.4 secs Computing kpt #: 99 total cpu time spent up to now is 67.0 secs Computing kpt #: 100 total cpu time spent up to now is 67.7 secs Computing kpt #: 101 total cpu time spent up to now is 68.3 secs Computing kpt #: 102 total cpu time spent up to now is 68.9 secs Computing kpt #: 103 total cpu time spent up to now is 69.4 secs Computing kpt #: 104 total cpu time spent up to now is 70.0 secs Computing kpt #: 105 total cpu time spent up to now is 70.5 secs Computing kpt #: 106 total cpu time spent up to now is 71.0 secs Computing kpt #: 107 total cpu time spent up to now is 71.6 secs Computing kpt #: 108 total cpu time spent up to now is 72.1 secs Computing kpt #: 109 total cpu time spent up to now is 72.6 secs Computing kpt #: 110 total cpu time spent up to now is 73.2 secs Computing kpt #: 111 total cpu time spent up to now is 73.7 secs Computing kpt #: 112 total cpu time spent up to now is 74.2 secs Computing kpt #: 113 total cpu time spent up to now is 74.8 secs Computing kpt #: 114 total cpu time spent up to now is 75.3 secs Computing kpt #: 115 total cpu time spent up to now is 75.8 secs Computing kpt #: 116 total cpu time spent up to now is 76.4 secs Computing kpt #: 117 total cpu time spent up to now is 77.0 secs Computing kpt #: 118 total cpu time spent up to now is 77.6 secs Computing kpt #: 119 total cpu time spent up to now is 78.2 secs Computing kpt #: 120 total cpu time spent up to now is 78.8 secs Computing kpt #: 121 total cpu time spent up to now is 79.4 secs Computing kpt #: 122 total cpu time spent up to now is 80.0 secs Computing kpt #: 123 total cpu time spent up to now is 80.6 secs Computing kpt #: 124 total cpu time spent up to now is 81.2 secs Computing kpt #: 125 total cpu time spent up to now is 81.8 secs Computing kpt #: 126 total cpu time spent up to now is 82.4 secs Computing kpt #: 127 total cpu time spent up to now is 83.0 secs Computing kpt #: 128 total cpu time spent up to now is 83.5 secs Computing kpt #: 129 total cpu time spent up to now is 84.1 secs Computing kpt #: 130 total cpu time spent up to now is 84.7 secs Computing kpt #: 131 total cpu time spent up to now is 85.3 secs Computing kpt #: 132 total cpu time spent up to now is 85.9 secs Computing kpt #: 133 total cpu time spent up to now is 86.5 secs Computing kpt #: 134 total cpu time spent up to now is 87.1 secs Computing kpt #: 135 total cpu time spent up to now is 87.6 secs Computing kpt #: 136 total cpu time spent up to now is 88.2 secs Computing kpt #: 137 total cpu time spent up to now is 88.8 secs Computing kpt #: 138 total cpu time spent up to now is 89.4 secs Computing kpt #: 139 total cpu time spent up to now is 90.0 secs Computing kpt #: 140 total cpu time spent up to now is 90.6 secs Computing kpt #: 141 total cpu time spent up to now is 91.2 secs Computing kpt #: 142 total cpu time spent up to now is 91.7 secs Computing kpt #: 143 total cpu time spent up to now is 92.3 secs Computing kpt #: 144 total cpu time spent up to now is 93.0 secs Computing kpt #: 145 total cpu time spent up to now is 93.6 secs Computing kpt #: 146 total cpu time spent up to now is 94.2 secs Computing kpt #: 147 total cpu time spent up to now is 94.8 secs Computing kpt #: 148 total cpu time spent up to now is 95.4 secs Computing kpt #: 149 total cpu time spent up to now is 95.9 secs Computing kpt #: 150 total cpu time spent up to now is 96.4 secs Computing kpt #: 151 total cpu time spent up to now is 97.0 secs Computing kpt #: 152 total cpu time spent up to now is 97.5 secs Computing kpt #: 153 total cpu time spent up to now is 98.0 secs Computing kpt #: 154 total cpu time spent up to now is 98.5 secs Computing kpt #: 155 total cpu time spent up to now is 99.0 secs Computing kpt #: 156 total cpu time spent up to now is 99.6 secs Computing kpt #: 157 total cpu time spent up to now is 100.1 secs Computing kpt #: 158 total cpu time spent up to now is 100.6 secs Computing kpt #: 159 total cpu time spent up to now is 101.1 secs Computing kpt #: 160 total cpu time spent up to now is 101.7 secs Computing kpt #: 161 total cpu time spent up to now is 102.2 secs Computing kpt #: 162 total cpu time spent up to now is 102.8 secs Computing kpt #: 163 total cpu time spent up to now is 103.3 secs Computing kpt #: 164 total cpu time spent up to now is 103.9 secs Computing kpt #: 165 total cpu time spent up to now is 104.4 secs Computing kpt #: 166 total cpu time spent up to now is 105.0 secs Computing kpt #: 167 total cpu time spent up to now is 105.5 secs Computing kpt #: 168 total cpu time spent up to now is 106.1 secs Computing kpt #: 169 total cpu time spent up to now is 106.7 secs Computing kpt #: 170 total cpu time spent up to now is 107.2 secs Computing kpt #: 171 total cpu time spent up to now is 107.8 secs Computing kpt #: 172 total cpu time spent up to now is 108.3 secs Computing kpt #: 173 total cpu time spent up to now is 108.9 secs Computing kpt #: 174 total cpu time spent up to now is 109.5 secs Computing kpt #: 175 total cpu time spent up to now is 110.0 secs Computing kpt #: 176 total cpu time spent up to now is 110.6 secs Computing kpt #: 177 total cpu time spent up to now is 111.1 secs Computing kpt #: 178 total cpu time spent up to now is 111.7 secs Computing kpt #: 179 total cpu time spent up to now is 112.3 secs Computing kpt #: 180 total cpu time spent up to now is 112.8 secs Computing kpt #: 181 total cpu time spent up to now is 113.4 secs Computing kpt #: 182 total cpu time spent up to now is 113.9 secs Computing kpt #: 183 total cpu time spent up to now is 114.4 secs Computing kpt #: 184 total cpu time spent up to now is 115.0 secs Computing kpt #: 185 total cpu time spent up to now is 115.5 secs Computing kpt #: 186 total cpu time spent up to now is 116.0 secs Computing kpt #: 187 total cpu time spent up to now is 116.5 secs Computing kpt #: 188 total cpu time spent up to now is 117.1 secs Computing kpt #: 189 total cpu time spent up to now is 117.6 secs Computing kpt #: 190 total cpu time spent up to now is 118.1 secs Computing kpt #: 191 total cpu time spent up to now is 118.6 secs Computing kpt #: 192 total cpu time spent up to now is 119.1 secs Computing kpt #: 193 total cpu time spent up to now is 119.6 secs Computing kpt #: 194 total cpu time spent up to now is 120.1 secs Computing kpt #: 195 total cpu time spent up to now is 120.6 secs Computing kpt #: 196 total cpu time spent up to now is 121.1 secs Computing kpt #: 197 total cpu time spent up to now is 121.6 secs Computing kpt #: 198 total cpu time spent up to now is 122.1 secs Computing kpt #: 199 total cpu time spent up to now is 122.6 secs Computing kpt #: 200 total cpu time spent up to now is 123.1 secs Computing kpt #: 201 total cpu time spent up to now is 123.7 secs Computing kpt #: 202 total cpu time spent up to now is 124.2 secs Computing kpt #: 203 total cpu time spent up to now is 124.8 secs Computing kpt #: 204 total cpu time spent up to now is 125.4 secs Computing kpt #: 205 total cpu time spent up to now is 126.0 secs Computing kpt #: 206 total cpu time spent up to now is 126.7 secs Computing kpt #: 207 total cpu time spent up to now is 127.3 secs Computing kpt #: 208 total cpu time spent up to now is 128.0 secs Computing kpt #: 209 total cpu time spent up to now is 128.6 secs Computing kpt #: 210 total cpu time spent up to now is 129.3 secs Computing kpt #: 211 total cpu time spent up to now is 130.0 secs Computing kpt #: 212 total cpu time spent up to now is 130.7 secs Computing kpt #: 213 total cpu time spent up to now is 131.3 secs Computing kpt #: 214 total cpu time spent up to now is 132.0 secs Computing kpt #: 215 total cpu time spent up to now is 132.7 secs Computing kpt #: 216 total cpu time spent up to now is 133.3 secs Computing kpt #: 217 total cpu time spent up to now is 134.0 secs Computing kpt #: 218 total cpu time spent up to now is 134.7 secs Computing kpt #: 219 total cpu time spent up to now is 135.3 secs Computing kpt #: 220 total cpu time spent up to now is 136.0 secs Computing kpt #: 221 total cpu time spent up to now is 136.6 secs Computing kpt #: 222 total cpu time spent up to now is 137.2 secs Computing kpt #: 223 total cpu time spent up to now is 137.9 secs Computing kpt #: 224 total cpu time spent up to now is 138.5 secs Computing kpt #: 225 total cpu time spent up to now is 139.2 secs Computing kpt #: 226 total cpu time spent up to now is 139.8 secs Computing kpt #: 227 total cpu time spent up to now is 140.5 secs Computing kpt #: 228 total cpu time spent up to now is 141.1 secs Computing kpt #: 229 total cpu time spent up to now is 141.7 secs Computing kpt #: 230 total cpu time spent up to now is 142.4 secs Computing kpt #: 231 total cpu time spent up to now is 143.0 secs Computing kpt #: 232 total cpu time spent up to now is 143.6 secs Computing kpt #: 233 total cpu time spent up to now is 144.2 secs Computing kpt #: 234 total cpu time spent up to now is 144.8 secs Computing kpt #: 235 total cpu time spent up to now is 145.4 secs Computing kpt #: 236 total cpu time spent up to now is 146.0 secs Computing kpt #: 237 total cpu time spent up to now is 146.6 secs Computing kpt #: 238 total cpu time spent up to now is 147.2 secs Computing kpt #: 239 total cpu time spent up to now is 147.8 secs Computing kpt #: 240 total cpu time spent up to now is 148.3 secs Computing kpt #: 241 total cpu time spent up to now is 148.9 secs Computing kpt #: 242 total cpu time spent up to now is 149.4 secs Computing kpt #: 243 total cpu time spent up to now is 150.0 secs Computing kpt #: 244 total cpu time spent up to now is 150.6 secs Computing kpt #: 245 total cpu time spent up to now is 151.1 secs Computing kpt #: 246 total cpu time spent up to now is 151.7 secs Computing kpt #: 247 total cpu time spent up to now is 152.2 secs Computing kpt #: 248 total cpu time spent up to now is 152.8 secs Computing kpt #: 249 total cpu time spent up to now is 153.4 secs Computing kpt #: 250 total cpu time spent up to now is 153.9 secs Computing kpt #: 251 total cpu time spent up to now is 154.6 secs Computing kpt #: 252 total cpu time spent up to now is 155.2 secs Computing kpt #: 253 total cpu time spent up to now is 155.8 secs Computing kpt #: 254 total cpu time spent up to now is 156.5 secs Computing kpt #: 255 total cpu time spent up to now is 157.1 secs Computing kpt #: 256 total cpu time spent up to now is 157.8 secs Computing kpt #: 257 total cpu time spent up to now is 158.5 secs Computing kpt #: 258 total cpu time spent up to now is 159.2 secs Computing kpt #: 259 total cpu time spent up to now is 159.8 secs Computing kpt #: 260 total cpu time spent up to now is 160.5 secs Computing kpt #: 261 total cpu time spent up to now is 161.2 secs Computing kpt #: 262 total cpu time spent up to now is 161.9 secs Computing kpt #: 263 total cpu time spent up to now is 162.5 secs Computing kpt #: 264 total cpu time spent up to now is 163.2 secs Computing kpt #: 265 total cpu time spent up to now is 163.9 secs Computing kpt #: 266 total cpu time spent up to now is 164.6 secs Computing kpt #: 267 total cpu time spent up to now is 165.3 secs Computing kpt #: 268 total cpu time spent up to now is 166.0 secs Computing kpt #: 269 total cpu time spent up to now is 166.7 secs Computing kpt #: 270 total cpu time spent up to now is 167.4 secs Computing kpt #: 271 total cpu time spent up to now is 168.2 secs Computing kpt #: 272 total cpu time spent up to now is 168.9 secs Computing kpt #: 273 total cpu time spent up to now is 169.6 secs Computing kpt #: 274 total cpu time spent up to now is 170.2 secs Computing kpt #: 275 total cpu time spent up to now is 170.9 secs Computing kpt #: 276 total cpu time spent up to now is 171.5 secs Computing kpt #: 277 total cpu time spent up to now is 172.2 secs Computing kpt #: 278 total cpu time spent up to now is 172.8 secs Computing kpt #: 279 total cpu time spent up to now is 173.3 secs Computing kpt #: 280 total cpu time spent up to now is 173.9 secs Computing kpt #: 281 total cpu time spent up to now is 174.5 secs Computing kpt #: 282 total cpu time spent up to now is 175.0 secs Computing kpt #: 283 total cpu time spent up to now is 175.6 secs Computing kpt #: 284 total cpu time spent up to now is 176.1 secs Computing kpt #: 285 total cpu time spent up to now is 176.7 secs Computing kpt #: 286 total cpu time spent up to now is 177.2 secs Computing kpt #: 287 total cpu time spent up to now is 177.8 secs Computing kpt #: 288 total cpu time spent up to now is 178.3 secs Computing kpt #: 289 total cpu time spent up to now is 178.8 secs Computing kpt #: 290 total cpu time spent up to now is 179.3 secs Computing kpt #: 291 total cpu time spent up to now is 179.8 secs Computing kpt #: 292 total cpu time spent up to now is 180.3 secs Computing kpt #: 293 total cpu time spent up to now is 180.8 secs Computing kpt #: 294 total cpu time spent up to now is 181.3 secs Computing kpt #: 295 total cpu time spent up to now is 181.8 secs Computing kpt #: 296 total cpu time spent up to now is 182.3 secs Computing kpt #: 297 total cpu time spent up to now is 182.7 secs Computing kpt #: 298 total cpu time spent up to now is 183.2 secs Computing kpt #: 299 total cpu time spent up to now is 183.7 secs Computing kpt #: 300 total cpu time spent up to now is 184.2 secs Computing kpt #: 301 total cpu time spent up to now is 184.7 secs Computing kpt #: 302 total cpu time spent up to now is 185.2 secs Computing kpt #: 303 total cpu time spent up to now is 185.8 secs Computing kpt #: 304 total cpu time spent up to now is 186.3 secs Computing kpt #: 305 total cpu time spent up to now is 186.9 secs Computing kpt #: 306 total cpu time spent up to now is 187.5 secs Computing kpt #: 307 total cpu time spent up to now is 188.0 secs Computing kpt #: 308 total cpu time spent up to now is 188.6 secs Computing kpt #: 309 total cpu time spent up to now is 189.2 secs Computing kpt #: 310 total cpu time spent up to now is 189.8 secs Computing kpt #: 311 total cpu time spent up to now is 190.4 secs Computing kpt #: 312 total cpu time spent up to now is 191.0 secs Computing kpt #: 313 total cpu time spent up to now is 191.7 secs Computing kpt #: 314 total cpu time spent up to now is 192.3 secs Computing kpt #: 315 total cpu time spent up to now is 193.0 secs Computing kpt #: 316 total cpu time spent up to now is 193.7 secs Computing kpt #: 317 total cpu time spent up to now is 194.5 secs Computing kpt #: 318 total cpu time spent up to now is 195.5 secs Computing kpt #: 319 total cpu time spent up to now is 196.3 secs Computing kpt #: 320 total cpu time spent up to now is 197.0 secs Computing kpt #: 321 total cpu time spent up to now is 197.6 secs Computing kpt #: 322 total cpu time spent up to now is 198.3 secs Computing kpt #: 323 total cpu time spent up to now is 199.0 secs Computing kpt #: 324 total cpu time spent up to now is 199.7 secs Computing kpt #: 325 total cpu time spent up to now is 200.4 secs Computing kpt #: 326 total cpu time spent up to now is 201.1 secs Computing kpt #: 327 total cpu time spent up to now is 201.7 secs Computing kpt #: 328 total cpu time spent up to now is 202.3 secs Computing kpt #: 329 total cpu time spent up to now is 202.9 secs Computing kpt #: 330 total cpu time spent up to now is 203.5 secs Computing kpt #: 331 total cpu time spent up to now is 204.1 secs Computing kpt #: 332 total cpu time spent up to now is 204.7 secs Computing kpt #: 333 total cpu time spent up to now is 205.3 secs Computing kpt #: 334 total cpu time spent up to now is 205.9 secs Computing kpt #: 335 total cpu time spent up to now is 206.5 secs Computing kpt #: 336 total cpu time spent up to now is 207.1 secs Computing kpt #: 337 total cpu time spent up to now is 207.6 secs Computing kpt #: 338 total cpu time spent up to now is 208.2 secs Computing kpt #: 339 total cpu time spent up to now is 208.8 secs Computing kpt #: 340 total cpu time spent up to now is 209.3 secs Computing kpt #: 341 total cpu time spent up to now is 209.9 secs Computing kpt #: 342 total cpu time spent up to now is 210.4 secs Computing kpt #: 343 total cpu time spent up to now is 211.0 secs Computing kpt #: 344 total cpu time spent up to now is 211.6 secs Computing kpt #: 345 total cpu time spent up to now is 212.1 secs Computing kpt #: 346 total cpu time spent up to now is 212.6 secs Computing kpt #: 347 total cpu time spent up to now is 213.2 secs Computing kpt #: 348 total cpu time spent up to now is 213.7 secs Computing kpt #: 349 total cpu time spent up to now is 214.3 secs Computing kpt #: 350 total cpu time spent up to now is 214.8 secs Computing kpt #: 351 total cpu time spent up to now is 215.4 secs Computing kpt #: 352 total cpu time spent up to now is 216.0 secs Computing kpt #: 353 total cpu time spent up to now is 216.6 secs Computing kpt #: 354 total cpu time spent up to now is 217.1 secs Computing kpt #: 355 total cpu time spent up to now is 217.7 secs Computing kpt #: 356 total cpu time spent up to now is 218.3 secs Computing kpt #: 357 total cpu time spent up to now is 218.8 secs Computing kpt #: 358 total cpu time spent up to now is 219.4 secs Computing kpt #: 359 total cpu time spent up to now is 219.9 secs Computing kpt #: 360 total cpu time spent up to now is 220.4 secs Computing kpt #: 361 total cpu time spent up to now is 221.0 secs Computing kpt #: 362 total cpu time spent up to now is 221.5 secs Computing kpt #: 363 total cpu time spent up to now is 222.1 secs Computing kpt #: 364 total cpu time spent up to now is 222.6 secs Computing kpt #: 365 total cpu time spent up to now is 223.2 secs Computing kpt #: 366 total cpu time spent up to now is 223.9 secs Computing kpt #: 367 total cpu time spent up to now is 224.5 secs Computing kpt #: 368 total cpu time spent up to now is 225.1 secs Computing kpt #: 369 total cpu time spent up to now is 225.7 secs Computing kpt #: 370 total cpu time spent up to now is 226.3 secs Computing kpt #: 371 total cpu time spent up to now is 227.0 secs Computing kpt #: 372 total cpu time spent up to now is 227.6 secs Computing kpt #: 373 total cpu time spent up to now is 228.3 secs Computing kpt #: 374 total cpu time spent up to now is 228.9 secs Computing kpt #: 375 total cpu time spent up to now is 229.6 secs Computing kpt #: 376 total cpu time spent up to now is 230.3 secs Computing kpt #: 377 total cpu time spent up to now is 230.9 secs Computing kpt #: 378 total cpu time spent up to now is 231.6 secs Computing kpt #: 379 total cpu time spent up to now is 232.3 secs Computing kpt #: 380 total cpu time spent up to now is 233.0 secs Computing kpt #: 381 total cpu time spent up to now is 233.7 secs Computing kpt #: 382 total cpu time spent up to now is 234.4 secs Computing kpt #: 383 total cpu time spent up to now is 235.0 secs Computing kpt #: 384 total cpu time spent up to now is 235.7 secs Computing kpt #: 385 total cpu time spent up to now is 236.3 secs Computing kpt #: 386 total cpu time spent up to now is 236.9 secs Computing kpt #: 387 total cpu time spent up to now is 237.4 secs Computing kpt #: 388 total cpu time spent up to now is 238.0 secs Computing kpt #: 389 total cpu time spent up to now is 238.6 secs Computing kpt #: 390 total cpu time spent up to now is 239.2 secs Computing kpt #: 391 total cpu time spent up to now is 239.8 secs Computing kpt #: 392 total cpu time spent up to now is 240.4 secs Computing kpt #: 393 total cpu time spent up to now is 241.0 secs Computing kpt #: 394 total cpu time spent up to now is 241.6 secs Computing kpt #: 395 total cpu time spent up to now is 242.2 secs Computing kpt #: 396 total cpu time spent up to now is 242.8 secs Computing kpt #: 397 total cpu time spent up to now is 243.4 secs Computing kpt #: 398 total cpu time spent up to now is 244.1 secs Computing kpt #: 399 total cpu time spent up to now is 244.7 secs Computing kpt #: 400 total cpu time spent up to now is 245.3 secs Computing kpt #: 401 total cpu time spent up to now is 245.9 secs Computing kpt #: 402 total cpu time spent up to now is 246.5 secs Computing kpt #: 403 total cpu time spent up to now is 247.2 secs Computing kpt #: 404 total cpu time spent up to now is 247.8 secs Computing kpt #: 405 total cpu time spent up to now is 248.4 secs Computing kpt #: 406 total cpu time spent up to now is 249.1 secs Computing kpt #: 407 total cpu time spent up to now is 249.9 secs Computing kpt #: 408 total cpu time spent up to now is 250.6 secs Computing kpt #: 409 total cpu time spent up to now is 251.2 secs Computing kpt #: 410 total cpu time spent up to now is 251.8 secs Computing kpt #: 411 total cpu time spent up to now is 252.4 secs Computing kpt #: 412 total cpu time spent up to now is 253.0 secs Computing kpt #: 413 total cpu time spent up to now is 253.6 secs Computing kpt #: 414 total cpu time spent up to now is 254.2 secs Computing kpt #: 415 total cpu time spent up to now is 254.8 secs Computing kpt #: 416 total cpu time spent up to now is 255.3 secs Computing kpt #: 417 total cpu time spent up to now is 256.0 secs Computing kpt #: 418 total cpu time spent up to now is 256.6 secs Computing kpt #: 419 total cpu time spent up to now is 257.3 secs Computing kpt #: 420 total cpu time spent up to now is 258.0 secs Computing kpt #: 421 total cpu time spent up to now is 258.6 secs Computing kpt #: 422 total cpu time spent up to now is 259.3 secs Computing kpt #: 423 total cpu time spent up to now is 260.0 secs Computing kpt #: 424 total cpu time spent up to now is 260.6 secs Computing kpt #: 425 total cpu time spent up to now is 261.3 secs Computing kpt #: 426 total cpu time spent up to now is 261.9 secs Computing kpt #: 427 total cpu time spent up to now is 262.6 secs Computing kpt #: 428 total cpu time spent up to now is 263.2 secs Computing kpt #: 429 total cpu time spent up to now is 263.8 secs Computing kpt #: 430 total cpu time spent up to now is 264.5 secs Computing kpt #: 431 total cpu time spent up to now is 265.1 secs Computing kpt #: 432 total cpu time spent up to now is 265.8 secs Computing kpt #: 433 total cpu time spent up to now is 266.4 secs Computing kpt #: 434 total cpu time spent up to now is 267.0 secs Computing kpt #: 435 total cpu time spent up to now is 267.7 secs Computing kpt #: 436 total cpu time spent up to now is 268.3 secs Computing kpt #: 437 total cpu time spent up to now is 268.9 secs Computing kpt #: 438 total cpu time spent up to now is 269.6 secs Computing kpt #: 439 total cpu time spent up to now is 270.2 secs Computing kpt #: 440 total cpu time spent up to now is 270.8 secs Computing kpt #: 441 total cpu time spent up to now is 271.5 secs Computing kpt #: 442 total cpu time spent up to now is 272.1 secs Computing kpt #: 443 total cpu time spent up to now is 272.8 secs Computing kpt #: 444 total cpu time spent up to now is 273.4 secs Computing kpt #: 445 total cpu time spent up to now is 274.1 secs Computing kpt #: 446 total cpu time spent up to now is 274.7 secs Computing kpt #: 447 total cpu time spent up to now is 275.3 secs Computing kpt #: 448 total cpu time spent up to now is 276.0 secs Computing kpt #: 449 total cpu time spent up to now is 276.6 secs Computing kpt #: 450 total cpu time spent up to now is 277.2 secs Computing kpt #: 451 total cpu time spent up to now is 277.9 secs Computing kpt #: 452 total cpu time spent up to now is 278.5 secs Computing kpt #: 453 total cpu time spent up to now is 279.1 secs Computing kpt #: 454 total cpu time spent up to now is 279.8 secs Computing kpt #: 455 total cpu time spent up to now is 280.4 secs Computing kpt #: 456 total cpu time spent up to now is 281.1 secs Computing kpt #: 457 total cpu time spent up to now is 281.7 secs Computing kpt #: 458 total cpu time spent up to now is 282.3 secs Computing kpt #: 459 total cpu time spent up to now is 283.0 secs Computing kpt #: 460 total cpu time spent up to now is 283.7 secs Computing kpt #: 461 total cpu time spent up to now is 284.4 secs Computing kpt #: 462 total cpu time spent up to now is 285.0 secs Computing kpt #: 463 total cpu time spent up to now is 285.7 secs Computing kpt #: 464 total cpu time spent up to now is 286.4 secs Computing kpt #: 465 total cpu time spent up to now is 286.9 secs Computing kpt #: 466 total cpu time spent up to now is 287.5 secs Computing kpt #: 467 total cpu time spent up to now is 288.0 secs Computing kpt #: 468 total cpu time spent up to now is 288.6 secs Computing kpt #: 469 total cpu time spent up to now is 289.1 secs Computing kpt #: 470 total cpu time spent up to now is 289.6 secs Computing kpt #: 471 total cpu time spent up to now is 290.1 secs Computing kpt #: 472 total cpu time spent up to now is 290.6 secs Computing kpt #: 473 total cpu time spent up to now is 291.1 secs Computing kpt #: 474 total cpu time spent up to now is 291.6 secs Computing kpt #: 475 total cpu time spent up to now is 292.1 secs Computing kpt #: 476 total cpu time spent up to now is 292.6 secs Computing kpt #: 477 total cpu time spent up to now is 293.1 secs Computing kpt #: 478 total cpu time spent up to now is 293.6 secs Computing kpt #: 479 total cpu time spent up to now is 294.0 secs Computing kpt #: 480 total cpu time spent up to now is 294.5 secs ethr = 2.63E-11, avg # of iterations = 22.5 total cpu time spent up to now is 294.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2683 PWs) bands (ev): -0.1072 -0.1072 5.4860 5.4860 5.8750 5.8750 5.8938 5.8938 5.9592 5.9592 6.7248 6.7248 6.8802 6.8802 6.9532 6.9532 7.2879 7.2879 7.3497 7.3497 7.4256 7.4256 7.6865 7.6865 7.7668 7.7668 8.0134 8.0134 8.5744 8.5744 8.7088 8.7088 8.7774 8.7774 8.9729 8.9729 9.8593 9.8593 12.1537 12.1537 15.7111 15.7111 16.0828 16.0828 16.7318 16.7318 k = 0.0094-0.0000-0.0000 ( 2685 PWs) bands (ev): -0.1057 -0.1057 5.4869 5.4874 5.8759 5.8760 5.8942 5.8945 5.9583 5.9618 6.7184 6.7303 6.8740 6.8858 6.9515 6.9543 7.2733 7.2991 7.3476 7.3531 7.4235 7.4287 7.6778 7.6956 7.7653 7.7661 8.0132 8.0134 8.5551 8.5813 8.6749 8.7185 8.7905 8.7984 8.9683 8.9854 9.8593 9.8608 12.1543 12.1562 15.7079 15.7166 16.0840 16.0855 16.7102 16.7189 k = 0.0189-0.0000-0.0000 ( 2685 PWs) bands (ev): -0.1011 -0.1011 5.4899 5.4909 5.8789 5.8791 5.8958 5.8963 5.9591 5.9660 6.7110 6.7349 6.8672 6.8906 6.9493 6.9550 7.2569 7.3044 7.3494 7.3562 7.4226 7.4331 7.6697 7.7049 7.7618 7.7632 8.0128 8.0134 8.5279 8.5732 8.6381 8.7079 8.8196 8.8445 8.9720 9.0050 9.8609 9.8638 12.1583 12.1619 15.7062 15.7245 16.0890 16.0922 16.6545 16.6734 k = 0.0283-0.0000-0.0000 ( 2681 PWs) bands (ev): -0.0935 -0.0935 5.4952 5.4967 5.8839 5.8842 5.8985 5.8992 5.9614 5.9721 6.7025 6.7387 6.8601 6.8944 6.9465 6.9554 7.2394 7.3031 7.3561 7.3585 7.4225 7.4387 7.6621 7.7135 7.7575 7.7583 8.0123 8.0134 8.4969 8.5509 8.6063 8.6906 8.8569 8.8986 8.9834 9.0307 9.8640 9.8684 12.1654 12.1709 15.7046 15.7346 16.0975 16.1028 16.5676 16.5999 k = 0.0377-0.0000-0.0000 ( 2685 PWs) bands (ev): -0.0828 -0.0828 5.5026 5.5045 5.8906 5.8912 5.9026 5.9030 5.9652 5.9799 6.6930 6.7417 6.8526 6.8968 6.9431 6.9554 7.2213 7.2976 7.3598 7.3655 7.4231 7.4451 7.6546 7.7186 7.7517 7.7551 8.0115 8.0134 8.4647 8.5197 8.5785 8.6691 8.8985 8.9564 9.0014 9.0622 9.8686 9.8746 12.1757 12.1829 15.7003 15.7458 16.1087 16.1169 16.4547 16.5059 k = 0.0472-0.0000-0.0000 ( 2683 PWs) bands (ev): -0.0691 -0.0691 5.5121 5.5145 5.8990 5.9000 5.9080 5.9082 5.9705 5.9895 6.6823 6.7440 6.8447 6.8978 6.9391 6.9551 7.2030 7.2903 7.3603 7.3754 7.4243 7.4520 7.6471 7.7160 7.7441 7.7589 8.0106 8.0136 8.4329 8.4857 8.5513 8.6446 8.9415 9.0115 9.0299 9.0997 9.8747 9.8824 12.1891 12.1980 15.6878 15.7552 16.1210 16.1333 16.3244 16.4026 k = 0.0566-0.0000-0.0000 ( 2683 PWs) bands (ev): -0.0523 -0.0523 5.5236 5.5265 5.9079 5.9091 5.9153 5.9159 5.9771 6.0007 6.6707 6.7458 6.8362 6.8970 6.9345 6.9546 7.1850 7.2823 7.3603 7.3847 7.4263 7.4589 7.6390 7.7065 7.7362 7.7685 8.0096 8.0140 8.4021 8.4518 8.5232 8.6177 8.9838 9.0441 9.0869 9.1436 9.8824 9.8919 12.2055 12.2161 15.6572 15.7546 16.1286 16.1350 16.2061 16.3099 k = 0.0660-0.0000-0.0000 ( 2683 PWs) bands (ev): -0.0325 -0.0325 5.5372 5.5405 5.9164 5.9167 5.9266 5.9267 5.9852 6.0135 6.6583 6.7471 6.8270 6.8941 6.9294 6.9537 7.1676 7.2743 7.3601 7.3930 7.4289 7.4655 7.6300 7.6931 7.7291 7.7809 8.0086 8.0147 8.3726 8.4191 8.4941 8.5891 9.0241 9.0728 9.1529 9.1942 9.8917 9.9030 12.2249 12.2371 15.5935 15.7197 16.0507 16.1189 16.1993 16.2592 k = 0.0755-0.0000-0.0000 ( 2679 PWs) bands (ev): -0.0096 -0.0096 5.5527 5.5563 5.9238 5.9247 5.9398 5.9411 5.9947 6.0278 6.6453 6.7479 6.8169 6.8887 6.9237 6.9525 7.1516 7.2666 7.3598 7.4000 7.4322 7.4710 7.6197 7.6777 7.7236 7.7946 8.0077 8.0156 8.3447 8.3879 8.4642 8.5592 9.0623 9.1027 9.2219 9.2509 9.9027 9.9159 12.2471 12.2608 15.4853 15.6136 15.9975 16.0980 16.2274 16.2591 k = 0.0849-0.0000-0.0000 ( 2679 PWs) bands (ev): 0.0163 0.0163 5.5701 5.5739 5.9313 5.9334 5.9545 5.9575 6.0055 6.0431 6.6319 6.7483 6.8056 6.8804 6.9177 6.9510 7.1373 7.2593 7.3596 7.4054 7.4361 7.4749 7.6085 7.6615 7.7202 7.8092 8.0070 8.0168 8.3184 8.3582 8.4336 8.5285 9.0987 9.1340 9.2932 9.3131 9.9154 9.9306 12.2721 12.2872 15.3357 15.4455 15.9972 16.0919 16.2622 16.2836 k = 0.0943-0.0000-0.0000 ( 2675 PWs) bands (ev): 0.0452 0.0452 5.5892 5.5932 5.9394 5.9427 5.9702 5.9755 6.0179 6.0593 6.6184 6.7485 6.7930 6.8692 6.9115 6.9490 7.1253 7.2527 7.3597 7.4091 7.4406 7.4760 7.5974 7.6451 7.7192 7.8243 8.0065 8.0182 8.2936 8.3298 8.4028 8.4972 9.1339 9.1666 9.3667 9.3797 9.9299 9.9473 12.2997 12.3161 15.1567 15.2474 16.0222 16.1047 16.3019 16.3187 k = 0.1038-0.0000-0.0000 ( 2670 PWs) bands (ev): 0.0772 0.0772 5.6100 5.6141 5.9480 5.9524 5.9861 5.9951 6.0321 6.0759 6.6052 6.7483 6.7789 6.8549 6.9051 6.9467 7.1158 7.2466 7.3601 7.4107 7.4456 7.4733 7.5879 7.6296 7.7206 7.8397 8.0062 8.0199 8.2701 8.3026 8.3721 8.4656 9.1685 9.2002 9.4421 9.4501 9.9463 9.9659 12.3298 12.3474 14.9591 15.0347 16.0593 16.1316 16.3459 16.3606 k = 0.1132-0.0000-0.0000 ( 2676 PWs) bands (ev): 0.1121 0.1122 5.6323 5.6363 5.9570 5.9625 6.0016 6.0159 6.0483 6.0923 6.5926 6.7478 6.7633 6.8379 6.8985 6.9437 7.1090 7.2411 7.3610 7.4100 7.4510 7.4658 7.5813 7.6159 7.7240 7.8552 8.0063 8.0217 8.2480 8.2761 8.3417 8.4339 9.2029 9.2346 9.5194 9.5237 9.9648 9.9865 12.3623 12.3810 14.7499 14.8140 16.1041 16.1686 16.3942 16.4078 k = 0.1226-0.0000-0.0000 ( 2684 PWs) bands (ev): 0.1501 0.1502 5.6560 5.6597 5.9666 5.9730 6.0159 6.0378 6.0668 6.1082 6.5809 6.7464 6.7464 6.8190 6.8917 6.9403 7.1048 7.2361 7.3623 7.4067 7.4532 7.4564 7.5784 7.6051 7.7292 7.8709 8.0067 8.0237 8.2272 8.2501 8.3121 8.4023 9.2373 9.2699 9.5985 9.6001 9.9854 10.0094 12.3970 12.4168 14.5333 14.5885 16.1544 16.2133 16.4466 16.4599 k = 0.1321-0.0000-0.0000 ( 2676 PWs) bands (ev): 0.1911 0.1912 5.6809 5.6841 5.9768 5.9840 6.0291 6.0609 6.0875 6.1229 6.5706 6.7287 6.7426 6.8004 6.8848 6.9364 7.1030 7.2315 7.3642 7.4007 7.4365 7.4616 7.5789 7.5983 7.7360 7.8866 8.0075 8.0259 8.2076 8.2241 8.2840 8.3713 9.2720 9.3058 9.6789 9.6794 10.0083 10.0345 12.4337 12.4546 14.3126 14.3607 16.2094 16.2641 16.5031 16.5164 k = 0.1415-0.0000-0.0000 ( 2680 PWs) bands (ev): 0.2351 0.2351 5.7069 5.7093 5.9874 5.9951 6.0409 6.0846 6.1100 6.1356 6.5615 6.7107 6.7327 6.7862 6.8775 6.9320 7.1031 7.2271 7.3664 7.3920 7.4170 7.4657 7.5819 7.5963 7.7442 7.9022 8.0087 8.0282 8.1892 8.1977 8.2576 8.3408 9.3070 9.3424 9.7600 9.7618 10.0339 10.0621 12.4721 12.4942 14.0896 14.1320 16.2684 16.3202 16.5635 16.5772 k = 0.1509-0.0000-0.0000 ( 2682 PWs) bands (ev): 0.2821 0.2821 5.7338 5.7349 5.9984 6.0063 6.0515 6.1087 6.1337 6.1458 6.5536 6.6935 6.7140 6.7799 6.8698 6.9272 7.1049 7.2227 7.3687 7.3810 7.3960 7.4689 7.5867 7.5996 7.7537 7.9176 8.0103 8.0306 8.1706 8.1719 8.2334 8.3113 9.3424 9.3794 9.8432 9.8456 10.0622 10.0923 12.5121 12.5353 13.8663 13.9040 16.3311 16.3809 16.6278 16.6420 k = 0.1604-0.0000-0.0000 ( 2682 PWs) bands (ev): 0.3321 0.3321 5.7606 5.7613 6.0098 6.0172 6.0615 6.1331 6.1530 6.1584 6.5460 6.6786 6.6886 6.7795 6.8616 6.9221 7.1078 7.2180 7.3660 7.3685 7.3796 7.4709 7.5929 7.6079 7.7643 7.9327 8.0124 8.0330 8.1432 8.1557 8.2115 8.2828 9.3782 9.4168 9.9282 9.9303 10.0940 10.1254 12.5528 12.5777 13.6443 13.6783 16.3971 16.4456 16.6958 16.7108 k = 0.1698-0.0000-0.0000 ( 2688 PWs) bands (ev): 0.3850 0.3850 5.7861 5.7893 6.0214 6.0278 6.0710 6.1569 6.1575 6.1835 6.5369 6.6598 6.6680 6.7822 6.8529 6.9166 7.1115 7.2127 7.3463 7.3552 7.3802 7.4721 7.6002 7.6207 7.7758 7.9473 8.0149 8.0354 8.1156 8.1408 8.1915 8.2556 9.4143 9.4546 10.0148 10.0148 10.1303 10.1615 12.5932 12.6203 13.4255 13.4570 16.4663 16.5141 16.7674 16.7834 k = 0.1792-0.0000-0.0000 ( 2680 PWs) bands (ev): 0.4409 0.4409 5.8107 5.8174 6.0331 6.0377 6.0807 6.1577 6.1814 6.2087 6.5249 6.6294 6.6637 6.7867 6.8436 6.9110 7.1156 7.2064 7.3233 7.3422 7.3850 7.4730 7.6084 7.6371 7.7882 7.9611 8.0178 8.0376 8.0888 8.1273 8.1735 8.2301 9.4508 9.4926 10.0959 10.1024 10.1745 10.2014 12.6299 12.6608 13.2133 13.2440 16.5382 16.5860 16.8424 16.8595 k = 0.1887-0.0000-0.0000 ( 2680 PWs) bands (ev): 0.4997 0.4998 5.8339 5.8452 6.0448 6.0468 6.0909 6.1558 6.2045 6.2335 6.5089 6.5981 6.6662 6.7920 6.8337 6.9053 7.1196 7.1987 7.3002 7.3299 7.3911 7.4740 7.6174 7.6565 7.8012 7.9737 8.0198 8.0394 8.0645 8.1156 8.1574 8.2063 9.4874 9.5307 10.1648 10.1891 10.2354 10.2472 12.6522 12.6898 13.0180 13.0512 16.6127 16.6611 16.9206 16.9389 k = 0.1981-0.0000-0.0000 ( 2682 PWs) bands (ev): 0.5614 0.5615 5.8547 5.8724 6.0556 6.0561 6.1019 6.1520 6.2261 6.2573 6.4897 6.5667 6.6748 6.7976 6.8232 6.8995 7.1229 7.1894 7.2776 7.3189 7.3984 7.4756 7.6271 7.6781 7.8148 7.9843 8.0148 8.0404 8.0498 8.1061 8.1431 8.1844 9.5241 9.5688 10.2188 10.2651 10.3084 10.3156 12.6196 12.6589 12.8893 12.9197 16.6895 16.7389 17.0018 17.0215 k = 0.2075-0.0000-0.0000 ( 2682 PWs) bands (ev): 0.6260 0.6262 5.8724 5.8983 6.0646 6.0668 6.1137 6.1476 6.2458 6.2796 6.4685 6.5358 6.6879 6.8032 6.8121 6.8938 7.1247 7.1784 7.2564 7.3094 7.4068 7.4782 7.6376 7.7016 7.8286 7.9892 8.0006 8.0401 8.0505 8.0997 8.1311 8.1647 9.5607 9.6067 10.2676 10.3232 10.3925 10.4053 12.4880 12.5132 12.8828 12.8946 16.7683 16.8191 17.0855 17.1067 k = 0.2170-0.0000-0.0000 ( 2678 PWs) bands (ev): 0.6935 0.6937 5.8859 5.9220 6.0749 6.0761 6.1262 6.1442 6.2624 6.2994 6.4470 6.5062 6.7037 6.8007 6.8083 6.8884 7.1237 7.1661 7.2376 7.3011 7.4163 7.4821 7.6491 7.7265 7.8422 7.9717 8.0021 8.0381 8.0574 8.0971 8.1225 8.1472 9.5970 9.6444 10.3164 10.3774 10.4854 10.4992 12.3094 12.3301 12.9226 12.9249 16.8487 16.9014 17.1714 17.1944 k = 0.2264-0.0000-0.0000 ( 2682 PWs) bands (ev): 0.7639 0.7641 5.8947 5.9419 6.0840 6.0869 6.1390 6.1437 6.2747 6.3152 6.4266 6.4790 6.7209 6.7890 6.8128 6.8831 7.1186 7.1529 7.2225 7.2936 7.4267 7.4877 7.6618 7.7524 7.8549 7.9493 8.0066 8.0348 8.0639 8.0984 8.1193 8.1319 9.6325 9.6814 10.3665 10.4333 10.5815 10.5956 12.1229 12.1457 12.9727 12.9743 16.9303 16.9852 17.2588 17.2839 k = 0.2358-0.0000-0.0000 ( 2682 PWs) bands (ev): 0.8371 0.8374 5.8986 5.9564 6.0911 6.1008 6.1472 6.1520 6.2811 6.3251 6.4092 6.4565 6.7379 6.7775 6.8164 6.8781 7.1084 7.1395 7.2120 7.2866 7.4377 7.4950 7.6759 7.7787 7.8661 7.9276 8.0099 8.0308 8.0662 8.1036 8.1190 8.1243 9.6667 9.7174 10.4179 10.4922 10.6792 10.6939 11.9400 11.9683 13.0282 13.0312 17.0123 17.0697 17.3469 17.3745 k = 0.2453-0.0000-0.0000 ( 2678 PWs) bands (ev): 0.9131 0.9134 5.8980 5.9636 6.0995 6.1163 6.1543 6.1648 6.2800 6.3261 6.3965 6.4413 6.7514 6.7689 6.8190 6.8737 7.0931 7.1263 7.2059 7.2797 7.4488 7.5041 7.6920 7.8052 7.8752 7.9073 8.0118 8.0269 8.0647 8.1082 8.1125 8.1368 9.6989 9.7517 10.4701 10.5543 10.7781 10.7936 11.7657 11.8023 13.0883 13.0917 17.0941 17.1538 17.4345 17.4651 k = 0.2547-0.0000-0.0000 ( 2676 PWs) bands (ev): 0.9919 0.9922 5.8937 5.9631 6.1106 6.1324 6.1637 6.1770 6.2713 6.3173 6.3883 6.4344 6.7485 6.7753 6.8206 6.8695 7.0740 7.1140 7.2031 7.2725 7.4595 7.5148 7.7106 7.8311 7.8817 7.8890 8.0122 8.0234 8.0622 8.1000 8.1244 8.1541 9.7280 9.7832 10.5221 10.6198 10.8770 10.8943 11.6037 11.6519 13.1521 13.1551 17.1742 17.2360 17.5198 17.5541 k = 0.2642-0.0000-0.0000 ( 2672 PWs) bands (ev): 1.0733 1.0738 5.8864 5.9563 6.1235 6.1480 6.1743 6.1881 6.2579 6.3019 6.3824 6.4329 6.7380 6.7877 6.8213 6.8660 7.0524 7.1031 7.2021 7.2650 7.4692 7.5269 7.7321 7.8543 7.8747 7.8854 8.0114 8.0201 8.0606 8.0940 8.1396 8.1741 9.7526 9.8104 10.5721 10.6886 10.9738 10.9952 11.4594 11.5221 13.2190 13.2213 17.2509 17.3134 17.5998 17.6388 k = 0.2736-0.0000-0.0000 ( 2674 PWs) bands (ev): 1.1575 1.1580 5.8766 5.9448 6.1355 6.1611 6.1851 6.1975 6.2436 6.2852 6.3757 6.4326 6.7271 6.7984 6.8211 6.8630 7.0292 7.0938 7.2023 7.2571 7.4776 7.5399 7.7567 7.8539 7.8846 7.8867 8.0100 8.0166 8.0605 8.0900 8.1577 8.1959 9.7708 9.8312 10.6180 10.7603 11.0597 11.0937 11.3448 11.4211 13.2890 13.2901 17.3212 17.3813 17.6699 17.7142 k = 0.2830-0.0000-0.0000 ( 2676 PWs) bands (ev): 1.2443 1.2449 5.8649 5.9304 6.1423 6.1681 6.1958 6.2053 6.2337 6.2726 6.3660 6.4307 6.7167 6.8064 6.8198 6.8610 7.0050 7.0865 7.2030 7.2490 7.4845 7.5532 7.7844 7.8422 7.8861 7.9053 8.0096 8.0129 8.0620 8.0878 8.1782 8.2189 9.7801 9.8429 10.6570 10.8343 11.0976 11.1808 11.3012 11.3644 13.3617 13.3619 17.3801 17.4308 17.7221 17.7720 k = 0.2925-0.0000-0.0000 ( 2680 PWs) bands (ev): 1.3337 1.3344 5.8517 5.9141 6.1390 6.1642 6.2063 6.2133 6.2327 6.2676 6.3519 6.4256 6.7072 6.8114 6.8173 6.8602 6.9802 7.0812 7.2042 7.2407 7.4901 7.5664 7.8148 7.8319 7.8839 7.9226 8.0088 8.0124 8.0648 8.0870 8.2006 8.2426 9.7780 9.8425 10.6881 10.9069 11.0646 11.2295 11.3584 11.3837 13.4360 13.4377 17.4195 17.4450 17.7384 17.7995 k = 0.3019-0.0000-0.0000 ( 2684 PWs) bands (ev): 1.4256 1.4264 5.8372 5.8964 6.1259 6.1499 6.2175 6.2217 6.2394 6.2693 6.3325 6.4167 6.6986 6.8133 6.8136 6.8607 6.9553 7.0780 7.2059 7.2326 7.4945 7.5789 7.8235 7.8474 7.8806 7.9334 8.0045 8.0209 8.0690 8.0872 8.2242 8.2666 9.7627 9.8278 10.7140 10.9553 11.0494 11.2522 11.4538 11.4672 13.5130 13.5165 17.3976 17.4276 17.5994 17.7601 k = 0.3113-0.0000-0.0000 ( 2692 PWs) bands (ev): 1.5200 1.5209 5.8216 5.8778 6.1075 6.1298 6.2279 6.2284 6.2492 6.2746 6.3079 6.4039 6.6910 6.8086 6.8124 6.8626 6.9306 7.0766 7.2079 7.2246 7.4982 7.5903 7.8171 7.8758 7.8822 7.9374 8.0005 8.0349 8.0751 8.0881 8.2483 8.2905 9.7337 9.7981 10.7414 10.9520 11.1084 11.2881 11.5593 11.5701 13.5930 13.5983 17.2724 17.3722 17.3974 17.5939 k = 0.3208-0.0000-0.0000 ( 2700 PWs) bands (ev): 1.6167 1.6177 5.8049 5.8583 6.0868 6.1075 6.2291 6.2360 6.2576 6.2816 6.2828 6.3886 6.6841 6.8023 6.8088 6.8652 6.9068 7.0767 7.2104 7.2171 7.5016 7.6003 7.8125 7.8716 7.9157 7.9367 7.9978 8.0503 8.0853 8.0894 8.2724 8.3139 9.6924 9.7556 10.7769 10.9513 11.1926 11.3424 11.6691 11.6792 13.6758 13.6831 17.0918 17.1484 17.3110 17.4282 k = 0.3302-0.0000-0.0000 ( 2700 PWs) bands (ev): 1.7156 1.7167 5.7871 5.8378 6.0654 6.0843 6.2216 6.2217 6.2595 6.2793 6.2894 6.3731 6.6781 6.7952 6.8029 6.8651 6.8875 7.0780 7.2103 7.2135 7.5049 7.6088 7.8094 7.8665 7.9334 7.9456 8.0000 8.0620 8.0910 8.1026 8.2963 8.3364 9.6421 9.7040 10.8241 10.9701 11.2839 11.4113 11.7814 11.7912 13.7617 13.7711 16.8864 16.9204 17.1889 17.2548 k = 0.3396-0.0000-0.0000 ( 2696 PWs) bands (ev): 1.8167 1.8180 5.7679 5.8162 6.0438 6.0611 6.1817 6.2028 6.2669 6.2888 6.2975 6.3605 6.6726 6.7872 6.7950 6.8513 6.8839 7.0801 7.2045 7.2171 7.5083 7.6158 7.8074 7.8609 7.9289 7.9618 8.0164 8.0695 8.0927 8.1260 8.3194 8.3578 9.5867 9.6475 10.8838 11.0083 11.3796 11.4908 11.8954 11.9052 13.8506 13.8621 16.6716 16.6931 17.0411 17.0739 k = 0.3491-0.0000-0.0000 ( 2698 PWs) bands (ev): 1.9197 1.9212 5.7467 5.7927 6.0223 6.0381 6.1333 6.1711 6.2754 6.2990 6.3053 6.3526 6.6677 6.7784 6.7854 6.8306 6.8890 7.0825 7.1999 7.2214 7.5121 7.6214 7.8061 7.8550 7.9241 7.9639 8.0466 8.0749 8.0945 8.1523 8.3415 8.3776 9.5299 9.5899 10.9553 11.0635 11.4788 11.5783 12.0108 12.0206 13.9425 13.9562 16.4536 16.4671 16.8782 16.8887 k = 0.3585-0.0000-0.0000 ( 2690 PWs) bands (ev): 2.0246 2.0262 5.7228 5.7662 6.0004 6.0153 6.0812 6.1291 6.2835 6.3087 6.3125 6.3490 6.6632 6.7689 6.7746 6.8099 6.8964 7.0849 7.1967 7.2263 7.5164 7.6259 7.8049 7.8487 7.9194 7.9613 8.0795 8.0804 8.0974 8.1799 8.3624 8.3960 9.4748 9.5339 11.0373 11.1331 11.5811 11.6720 12.1272 12.1371 14.0375 14.0534 16.2350 16.2429 16.7018 16.7073 k = 0.3679-0.0000-0.0000 ( 2690 PWs) bands (ev): 2.1311 2.1329 5.6948 5.7346 5.9763 5.9921 6.0304 6.0808 6.2908 6.3178 6.3184 6.3486 6.6591 6.7587 6.7626 6.7904 6.9045 7.0870 7.1952 7.2317 7.5211 7.6295 7.8035 7.8422 7.9150 7.9572 8.0835 8.0958 8.1192 8.2080 8.3820 8.4125 9.4234 9.4815 11.1289 11.2149 11.6861 11.7706 12.2443 12.2543 14.1355 14.1536 16.0174 16.0209 16.5150 16.5327 k = 0.3774-0.0000-0.0000 ( 2690 PWs) bands (ev): 2.2390 2.2410 5.6605 5.6950 5.9445 5.9668 5.9899 6.0324 6.2972 6.3228 6.3262 6.3504 6.6555 6.7476 6.7500 6.7727 6.9132 7.0882 7.1955 7.2376 7.5263 7.6323 7.8016 7.8354 7.9111 7.9528 8.0872 8.0981 8.1537 8.2358 8.4002 8.4273 9.3770 9.4338 11.2289 11.3073 11.7937 11.8733 12.3618 12.3719 14.2362 14.2565 15.8013 15.8017 16.3296 16.3573 k = 0.3868-0.0000-0.0000 ( 2696 PWs) bands (ev): 2.3479 2.3501 5.6173 5.6442 5.9053 5.9357 5.9639 5.9918 6.3025 6.3255 6.3339 6.3537 6.6522 6.7353 6.7370 6.7572 6.9222 7.0884 7.1977 7.2437 7.5320 7.6347 7.7990 7.8284 7.9079 7.9482 8.0906 8.0997 8.1875 8.2629 8.4169 8.4403 9.3362 9.3911 11.3366 11.4089 11.9033 11.9793 12.4793 12.4895 14.3393 14.3618 15.5843 15.5885 16.1466 16.1829 k = 0.3962-0.0000-0.0000 ( 2684 PWs) bands (ev): 2.4575 2.4599 5.5628 5.5803 5.8688 5.8992 5.9450 5.9635 6.3070 6.3270 6.3412 6.3580 6.6496 6.7222 6.7241 6.7442 6.9316 7.0874 7.2019 7.2500 7.5382 7.6365 7.7957 7.8213 7.9053 7.9438 8.0938 8.1013 8.2200 8.2889 8.4323 8.4519 9.3013 9.3537 11.4513 11.5187 12.0146 12.0878 12.5964 12.6068 14.4441 14.4690 15.3703 15.3790 15.9668 16.0114 k = 0.4057-0.0000-0.0000 ( 2678 PWs) bands (ev): 2.5673 2.5698 5.4957 5.5041 5.8391 5.8639 5.9291 5.9430 6.3106 6.3276 6.3479 6.3625 6.6474 6.7087 6.7113 6.7328 6.9410 7.0854 7.2077 7.2564 7.5449 7.6381 7.7917 7.8141 7.9034 7.9395 8.0967 8.1027 8.2507 8.3135 8.4462 8.4619 9.2720 9.3213 11.5724 11.6360 12.1270 12.1982 12.7126 12.7230 14.5483 14.5771 15.1595 15.1751 15.7910 15.8444 k = 0.4151-0.0000-0.0000 ( 2678 PWs) bands (ev): 2.6766 2.6793 5.4175 5.4187 5.8159 5.8344 5.9153 5.9264 6.3134 6.3275 6.3541 6.3670 6.6457 6.6956 6.6989 6.7226 6.9504 7.0823 7.2147 7.2624 7.5518 7.6392 7.7870 7.8069 7.9021 7.9353 8.0993 8.1040 8.2793 8.3364 8.4587 8.4706 9.2480 9.2936 11.6994 11.7600 12.2398 12.3096 12.8272 12.8376 14.6437 14.6841 14.9525 14.9848 15.6204 15.6843 k = 0.4245-0.0000-0.0000 ( 2678 PWs) bands (ev): 2.7846 2.7875 5.3273 5.3310 5.7976 5.8108 5.9031 5.9122 6.3155 6.3271 6.3598 6.3712 6.6445 6.6833 6.6872 6.7131 6.9598 7.0784 7.2225 7.2680 7.5591 7.6400 7.7820 7.7997 7.9012 7.9314 8.1017 8.1052 8.3058 8.3573 8.4697 8.4781 9.2286 9.2701 11.8315 11.8900 12.3518 12.4210 12.9392 12.9496 14.6667 14.7432 14.7925 14.8711 15.4565 15.5352 k = 0.4340-0.0000-0.0000 ( 2684 PWs) bands (ev): 2.8902 2.8933 5.2331 5.2397 5.7831 5.7923 5.8925 5.9000 6.3170 6.3264 6.3649 6.3749 6.6439 6.6722 6.6764 6.7043 6.9691 7.0737 7.2308 7.2730 7.5666 7.6402 7.7769 7.7928 7.9008 7.9275 8.1038 8.1064 8.3298 8.3758 8.4794 8.4846 9.2134 9.2503 11.9683 12.0255 12.4619 12.5311 13.0477 13.0578 14.5238 14.5482 14.8773 14.9245 15.3028 15.4068 k = 0.4434-0.0000-0.0000 ( 2692 PWs) bands (ev): 2.9919 2.9951 5.1392 5.1470 5.7713 5.7778 5.8833 5.8895 6.3181 6.3256 6.3696 6.3782 6.6438 6.6623 6.6667 6.6960 6.9782 7.0685 7.2392 7.2771 7.5744 7.6398 7.7720 7.7861 7.9007 7.9239 8.1055 8.1073 8.3514 8.3917 8.4877 8.4902 9.2018 9.2338 12.1089 12.1657 12.5680 12.6382 13.1511 13.1606 14.3416 14.3544 14.9279 15.0029 15.1758 15.3230 k = 0.4528-0.0000-0.0000 ( 2692 PWs) bands (ev): 3.0877 3.0909 5.0486 5.0567 5.7620 5.7665 5.8756 5.8806 6.3190 6.3247 6.3737 6.3809 6.6441 6.6538 6.6584 6.6883 6.9872 7.0628 7.2475 7.2804 7.5822 7.6388 7.7675 7.7799 7.9011 7.9206 8.1070 8.1083 8.3704 8.4049 8.4946 8.4950 9.1933 9.2202 12.2522 12.3099 12.6676 12.7400 13.2476 13.2558 14.1584 14.1668 14.9069 14.9689 15.1755 15.3173 k = 0.4623-0.0000-0.0000 ( 2700 PWs) bands (ev): 3.1750 3.1780 4.9649 4.9724 5.7546 5.7577 5.8694 5.8733 6.3196 6.3239 6.3772 6.3831 6.6442 6.6468 6.6523 6.6812 6.9960 7.0566 7.2553 7.2824 7.5901 7.6368 7.7637 7.7743 7.9017 7.9174 8.1082 8.1090 8.3867 8.4150 8.4992 8.5000 9.1873 9.2090 12.3963 12.4567 12.7567 12.8334 13.3343 13.3400 13.9814 13.9877 14.8316 14.8582 15.2601 15.3701 k = 0.4717-0.0000-0.0000 ( 2700 PWs) bands (ev): 3.2503 3.2529 4.8923 4.8986 5.7491 5.7512 5.8646 5.8675 6.3200 6.3231 6.3802 6.3846 6.6414 6.6420 6.6506 6.6747 7.0045 7.0501 7.2624 7.2833 7.5979 7.6339 7.7609 7.7693 7.9027 7.9146 8.1091 8.1097 8.4004 8.4221 8.5027 8.5041 9.1837 9.2001 12.5383 12.6039 12.8302 12.9141 13.4069 13.4078 13.8175 13.8220 14.7450 14.7543 15.3415 15.4318 k = 0.4811-0.0000-0.0000 ( 2700 PWs) bands (ev): 3.3093 3.3112 4.8355 4.8401 5.7453 5.7466 5.8614 5.8633 6.3204 6.3224 6.3826 6.3856 6.6376 6.6386 6.6523 6.6689 7.0129 7.0433 7.2688 7.2829 7.6055 7.6300 7.7593 7.7652 7.9040 7.9119 8.1098 8.1101 8.4113 8.4260 8.5055 8.5069 9.1822 9.1931 12.6722 12.7470 12.8808 12.9755 13.4478 13.4562 13.6821 13.6823 14.6699 14.6718 15.3995 15.4642 k = 0.4906-0.0000-0.0000 ( 2712 PWs) bands (ev): 3.3474 3.3485 4.7994 4.8018 5.7432 5.7437 5.8596 5.8605 6.3208 6.3218 6.3843 6.3858 6.6354 6.6359 6.6552 6.6636 7.0209 7.0361 7.2741 7.2812 7.6126 7.6251 7.7590 7.7620 7.9055 7.9095 8.1102 8.1103 8.4193 8.4268 8.5074 8.5082 9.1823 9.1878 12.7868 12.8704 12.9039 13.0039 13.4416 13.4580 13.6028 13.6093 14.6186 14.6189 15.4282 15.4579 k = 0.5000-0.0000-0.0000 ( 2708 PWs) bands (ev): 3.3610 3.3610 4.7877 4.7877 5.7426 5.7426 5.8594 5.8594 6.3213 6.3213 6.3854 6.3854 6.6349 6.6349 6.6591 6.6591 7.0287 7.0287 7.2783 7.2783 7.6192 7.6192 7.7599 7.7599 7.9074 7.9074 8.1104 8.1104 8.4245 8.4245 8.5084 8.5084 9.1842 9.1842 12.8641 12.8641 12.9751 12.9751 13.4297 13.4297 13.5927 13.5927 14.6004 14.6004 15.4429 15.4429 k = 0.5000-0.0000-0.0000 ( 2708 PWs) bands (ev): 3.3610 3.3610 4.7877 4.7877 5.7426 5.7426 5.8594 5.8594 6.3213 6.3213 6.3854 6.3854 6.6349 6.6349 6.6591 6.6591 7.0287 7.0287 7.2783 7.2783 7.6192 7.6192 7.7599 7.7599 7.9074 7.9074 8.1104 8.1104 8.4245 8.4245 8.5084 8.5084 9.1842 9.1842 12.8641 12.8641 12.9751 12.9751 13.4297 13.4297 13.5927 13.5927 14.6004 14.6004 15.4429 15.4429 k = 0.5000 0.0094-0.0000 ( 2708 PWs) bands (ev): 3.3606 3.3612 4.7884 4.7886 5.7311 5.7457 5.8552 5.8738 6.3139 6.3218 6.3865 6.3927 6.6168 6.6389 6.6579 6.6760 7.0154 7.0420 7.2634 7.2926 7.6045 7.6327 7.7589 7.7597 7.8956 7.9159 8.1054 8.1118 8.4252 8.4265 8.5089 8.5096 9.1801 9.1901 12.8301 12.8871 12.9511 12.9948 13.4189 13.4349 13.5858 13.5954 14.5988 14.6041 15.4318 15.4526 k = 0.5000 0.0188-0.0000 ( 2704 PWs) bands (ev): 3.3599 3.3611 4.7908 4.7912 5.7150 5.7389 5.8630 5.8948 6.3030 6.3155 6.3960 6.4050 6.5990 6.6250 6.6766 6.6945 7.0023 7.0556 7.2481 7.3063 7.5885 7.6450 7.7568 7.7584 7.8806 7.9212 8.0968 8.1097 8.4284 8.4311 8.5111 8.5124 9.1776 9.1976 12.7876 12.8801 12.9415 13.0087 13.4041 13.4316 13.5742 13.5963 14.5993 14.6097 15.4144 15.4580 k = 0.5000 0.0282-0.0000 ( 2702 PWs) bands (ev): 3.3591 3.3609 4.7949 4.7955 5.6974 5.7255 5.8791 5.9193 6.2910 6.3058 6.4102 6.4194 6.5822 6.6121 6.6967 6.7136 6.9893 7.0694 7.2323 7.3192 7.5711 7.6564 7.7534 7.7558 7.8626 7.9237 8.0850 8.1043 8.4337 8.4380 8.5149 8.5167 9.1768 9.2065 12.7364 12.8354 12.9540 13.0181 13.3849 13.4165 13.5598 13.5988 14.6018 14.6171 15.3870 15.4492 k = 0.5000 0.0376-0.0000 ( 2696 PWs) bands (ev): 3.3581 3.3604 4.8006 4.8014 5.6796 5.7094 5.8995 5.9459 6.2791 6.2951 6.4264 6.4342 6.5670 6.6018 6.7169 6.7330 6.9765 7.0836 7.2163 7.3313 7.5523 7.6669 7.7489 7.7520 7.8418 7.9236 8.0707 8.0961 8.4407 8.4469 8.5203 8.5226 9.1777 9.2165 12.6764 12.7730 12.9694 13.0240 13.3588 13.3883 13.5463 13.6054 14.6064 14.6263 15.3525 15.4232 k = 0.5000 0.0470-0.0000 ( 2696 PWs) bands (ev): 3.3568 3.3596 4.8080 4.8089 5.6623 5.6928 5.9220 5.9738 6.2677 6.2843 6.4425 6.4480 6.5546 6.5954 6.7370 6.7524 6.9640 7.0982 7.2001 7.3424 7.5322 7.6767 7.7430 7.7467 7.8187 7.9213 8.0543 8.0854 8.4489 8.4570 8.5269 8.5298 9.1800 9.2275 12.6079 12.6987 12.9823 13.0268 13.3238 13.3485 13.5380 13.6165 14.6131 14.6372 15.3166 15.3883 k = 0.5000 0.0564-0.0000 ( 2692 PWs) bands (ev): 3.3553 3.3587 4.8170 4.8180 5.6462 5.6767 5.9451 6.0022 6.2570 6.2740 6.4562 6.4594 6.5468 6.5942 6.7565 6.7715 6.9521 7.1135 7.1838 7.3525 7.5109 7.6859 7.7358 7.7400 7.7940 7.9172 8.0365 8.0728 8.4580 8.4679 8.5347 8.5384 9.1836 9.2393 12.5316 12.6149 12.9902 13.0253 13.2806 13.3007 13.5370 13.6316 14.6219 14.6496 15.2841 15.3528 k = 0.5000 0.0658-0.0000 ( 2688 PWs) bands (ev): 3.3537 3.3575 4.8275 4.8287 5.6313 5.6617 5.9682 6.0309 6.2471 6.2643 6.4640 6.4671 6.5472 6.5996 6.7750 6.7900 6.9411 7.1289 7.1680 7.3613 7.4887 7.6943 7.7271 7.7315 7.7685 7.9117 8.0181 8.0589 8.4676 8.4791 8.5433 8.5481 9.1882 9.2514 12.4483 12.5238 12.9881 13.0159 13.2350 13.2510 13.5434 13.6502 14.6328 14.6637 15.2579 15.3218 k = 0.5000 0.0752-0.0000 ( 2680 PWs) bands (ev): 3.3519 3.3561 4.8395 4.8409 5.6180 5.6481 5.9906 6.0594 6.2382 6.2553 6.4640 6.4708 6.5571 6.6116 6.7916 6.8078 6.9316 7.1387 7.1587 7.3689 7.4657 7.7008 7.7163 7.7212 7.7446 7.9051 7.9998 8.0442 8.4777 8.4904 8.5526 8.5587 9.1936 9.2637 12.3594 12.4270 12.9671 12.9913 13.1981 13.2087 13.5562 13.6720 14.6458 14.6792 15.2394 15.2977 k = 0.5000 0.0846-0.0000 ( 2680 PWs) bands (ev): 3.3499 3.3545 4.8530 4.8545 5.6063 5.6362 6.0117 6.0871 6.2301 6.2470 6.4586 6.4717 6.5741 6.6293 6.8052 6.8246 6.9246 7.1278 7.1713 7.3749 7.4423 7.6977 7.7035 7.7090 7.7307 7.8976 7.9819 8.0292 8.4878 8.5013 8.5621 8.5700 9.1995 9.2758 12.2660 12.3261 12.9197 12.9441 13.1795 13.1829 13.5746 13.6968 14.6609 14.6963 15.2293 15.2819 k = 0.5000 0.0940-0.0000 ( 2676 PWs) bands (ev): 3.3477 3.3527 4.8678 4.8695 5.5964 5.6259 6.0312 6.1135 6.2228 6.2395 6.4512 6.4712 6.5950 6.6513 6.8143 6.8402 6.9215 7.1109 7.1912 7.3794 7.4188 7.6752 7.6930 7.6950 7.7328 7.8896 7.9649 8.0144 8.4979 8.5120 8.5718 8.5818 9.2056 9.2876 12.1691 12.2223 12.8493 12.8754 13.1738 13.1781 13.5976 13.7244 14.6781 14.7149 15.2274 15.2747 k = 0.5000 0.1034-0.0000 ( 2680 PWs) bands (ev): 3.3454 3.3507 4.8840 4.8858 5.5882 5.6175 6.0484 6.1381 6.2163 6.2328 6.4437 6.4706 6.6177 6.6763 6.8177 6.8546 6.9232 7.0928 7.2136 7.3822 7.3956 7.6492 7.6793 7.6799 7.7409 7.8813 7.9491 8.0002 8.5079 8.5221 8.5812 8.5936 9.2116 9.2987 12.0700 12.1169 12.7643 12.7924 13.1759 13.1870 13.6247 13.7547 14.6973 14.7350 15.2333 15.2759 k = 0.5000 0.1128-0.0000 ( 2680 PWs) bands (ev): 3.3430 3.3485 4.9014 4.9033 5.5820 5.6111 6.0632 6.1601 6.2107 6.2268 6.4374 6.4706 6.6411 6.7033 6.8156 6.8678 6.9296 7.0740 7.2380 7.3733 7.3832 7.6233 7.6623 7.6656 7.7508 7.8729 7.9346 7.9872 8.5175 8.5318 8.5902 8.6052 9.2173 9.3089 11.9694 12.0108 12.6713 12.7011 13.1844 13.2014 13.6555 13.7876 14.7184 14.7566 15.2466 15.2851 k = 0.5000 0.1222-0.0000 ( 2684 PWs) bands (ev): 3.3405 3.3462 4.9199 4.9220 5.5777 5.6066 6.0752 6.1787 6.2057 6.2215 6.4330 6.4717 6.6645 6.7310 6.8098 6.8797 6.9389 7.0547 7.2642 7.3522 7.3823 7.5983 7.6445 7.6508 7.7616 7.8646 7.9212 7.9755 8.5269 8.5410 8.5987 8.6163 9.2226 9.3181 11.8684 11.9047 12.5740 12.6050 13.1969 13.2189 13.6895 13.8228 14.7414 14.7795 15.2667 15.3017 k = 0.5000 0.1316-0.0000 ( 2682 PWs) bands (ev): 3.3378 3.3437 4.9395 4.9417 5.5753 5.6041 6.0843 6.1929 6.2013 6.2173 6.4310 6.4740 6.6872 6.7574 6.8034 6.8904 6.9496 7.0352 7.2919 7.3329 7.3796 7.5750 7.6265 7.6359 7.7733 7.8567 7.9090 7.9656 8.5358 8.5498 8.6064 8.6268 9.2271 9.3260 11.7676 11.7994 12.4748 12.5067 13.2121 13.2381 13.7266 13.8602 14.7659 14.8037 15.2931 15.3253 k = 0.5000 0.1410-0.0000 ( 2678 PWs) bands (ev): 3.3351 3.3411 4.9600 4.9622 5.5750 5.6036 6.0905 6.1975 6.2014 6.2148 6.4316 6.4775 6.7088 6.7719 6.8075 6.8994 6.9606 7.0161 7.3128 7.3240 7.3752 7.5535 7.6089 7.6215 7.7856 7.8491 7.8978 7.9577 8.5442 8.5581 8.6133 8.6364 9.2308 9.3325 11.6676 11.6955 12.3755 12.4077 13.2292 13.2585 13.7664 13.8995 14.7919 14.8291 15.3253 15.3553 k = 0.5000 0.1504-0.0000 ( 2686 PWs) bands (ev): 3.3324 3.3384 4.9813 4.9836 5.5765 5.6051 6.0940 6.1941 6.2028 6.2152 6.4345 6.4818 6.7288 6.7663 6.8300 6.9059 6.9713 6.9983 7.3002 7.3522 7.3695 7.5337 7.5924 7.6078 7.7983 7.8421 7.8875 7.9521 8.5518 8.5657 8.6191 8.6449 9.2335 9.3375 11.5692 11.5936 12.2774 12.3094 13.2477 13.2796 13.8084 13.9404 14.8192 14.8555 15.3629 15.3911 k = 0.5000 0.1598-0.0000 ( 2688 PWs) bands (ev): 3.3296 3.3355 5.0032 5.0055 5.5800 5.6086 6.0948 6.1912 6.2003 6.2155 6.4391 6.4866 6.7470 6.7543 6.8564 6.9082 6.9820 6.9838 7.2893 7.3630 7.3824 7.5160 7.5776 7.5954 7.8113 7.8358 7.8781 7.9491 8.5586 8.5727 8.6237 8.6522 9.2352 9.3408 11.4729 11.4942 12.1814 12.2129 13.2674 13.3011 13.8525 13.9827 14.8474 14.8828 15.4056 15.4324 k = 0.5000 0.1692-0.0000 ( 2688 PWs) bands (ev): 3.3268 3.3327 5.0257 5.0280 5.5854 5.6141 6.0931 6.1887 6.1965 6.2138 6.4445 6.4915 6.7406 6.7627 6.8808 6.9039 6.9753 6.9937 7.2823 7.3564 7.4119 7.5001 7.5655 7.5843 7.8241 7.8307 7.8694 7.9493 8.5645 8.5789 8.6271 8.6582 9.2358 9.3424 11.3792 11.3978 12.0884 12.1189 13.2878 13.3228 13.8982 14.0259 14.8763 14.9106 15.4530 15.4787 k = 0.5000 0.1786-0.0000 ( 2688 PWs) bands (ev): 3.3240 3.3298 5.0484 5.0507 5.5926 5.6214 6.0893 6.1866 6.1912 6.2104 6.4498 6.4961 6.7259 6.7756 6.8928 6.9002 6.9734 7.0082 7.2798 7.3501 7.4389 7.4860 7.5574 7.5746 7.8271 7.8362 7.8616 7.9530 8.5694 8.5843 8.6292 8.6628 9.2354 9.3422 11.2885 11.3047 11.9992 12.0284 13.3087 13.3444 13.9452 14.0698 14.9057 14.9387 15.5049 15.5298 k = 0.5000 0.1880-0.0000 ( 2688 PWs) bands (ev): 3.3213 3.3269 5.0713 5.0736 5.6016 5.6306 6.0835 6.1838 6.1849 6.2068 6.4542 6.4999 6.7108 6.7846 6.8782 6.9127 6.9761 7.0268 7.2818 7.3449 7.4605 7.4735 7.5553 7.5663 7.8256 7.8472 7.8547 7.9606 8.5732 8.5889 8.6298 8.6659 9.2340 9.3402 11.2014 11.2156 11.9144 11.9420 13.3300 13.3658 13.9931 14.1138 14.9353 14.9670 15.5610 15.5852 k = 0.5000 0.1974-0.0000 ( 2688 PWs) bands (ev): 3.3187 3.3241 5.0941 5.0963 5.6123 5.6416 6.0757 6.1738 6.1836 6.2037 6.4573 6.5027 6.6954 6.7883 6.8635 6.9179 6.9816 7.0494 7.2882 7.3409 7.4626 7.4736 7.5594 7.5615 7.8269 7.8490 7.8567 7.9721 8.5758 8.5924 8.6291 8.6674 9.2318 9.3365 11.1184 11.1307 11.8345 11.8602 13.3514 13.3867 14.0414 14.1575 14.9647 14.9949 15.6211 15.6448 k = 0.5000 0.2068-0.0000 ( 2692 PWs) bands (ev): 3.3162 3.3213 5.1166 5.1187 5.6246 5.6543 6.0664 6.1612 6.1828 6.2015 6.4588 6.5043 6.6802 6.7852 6.8513 6.9173 6.9896 7.0745 7.2981 7.3383 7.4533 7.4783 7.5536 7.5742 7.8316 7.8448 7.8650 7.9870 8.5772 8.5950 8.6269 8.6672 9.2290 9.3310 11.0398 11.0504 11.7599 11.7836 13.3726 13.4070 14.0896 14.2005 14.9937 15.0223 15.6850 15.7082 k = 0.5000 0.2162-0.0000 ( 2692 PWs) bands (ev): 3.3138 3.3186 5.1386 5.1405 5.6385 5.6685 6.0555 6.1465 6.1823 6.1998 6.4588 6.5044 6.6655 6.7751 6.8428 6.9125 7.0004 7.1004 7.3103 7.3371 7.4456 7.4782 7.5489 7.5889 7.8370 7.8462 7.8722 8.0045 8.5773 8.5965 8.6234 8.6653 9.2257 9.3241 10.9661 10.9754 11.6911 11.7125 13.3934 13.4264 14.1373 14.2421 15.0220 15.0489 15.7524 15.7753 k = 0.5000 0.2256-0.0000 ( 2694 PWs) bands (ev): 3.3116 3.3160 5.1597 5.1615 5.6537 5.6842 6.0432 6.1299 6.1822 6.1985 6.4576 6.5031 6.6517 6.7598 6.8368 6.9049 7.0137 7.1256 7.3239 7.3367 7.4398 7.4760 7.5455 7.6014 7.8371 7.8600 7.8788 8.0237 8.5761 8.5970 8.6188 8.6617 9.2223 9.3158 10.8978 10.9058 11.6283 11.6474 13.4135 13.4448 14.1839 14.2818 15.0491 15.0741 15.8232 15.8457 k = 0.5000 0.2350-0.0000 ( 2690 PWs) bands (ev): 3.3096 3.3136 5.1797 5.1813 5.6702 5.7011 6.0298 6.1117 6.1825 6.1975 6.4557 6.5003 6.6394 6.7418 6.8319 6.8956 7.0295 7.1492 7.3369 7.3375 7.4360 7.4733 7.5433 7.6102 7.8375 7.8807 7.8848 8.0435 8.5738 8.5963 8.6132 8.6563 9.2191 9.3063 10.8353 10.8422 11.5718 11.5886 13.4328 13.4618 14.2288 14.3191 15.0748 15.0978 15.8969 15.9190 k = 0.5000 0.2444-0.0000 ( 2682 PWs) bands (ev): 3.3078 3.3114 5.1983 5.1998 5.6877 5.7190 6.0155 6.0922 6.1830 6.1967 6.4533 6.4962 6.6287 6.7230 6.8277 6.8853 7.0472 7.1700 7.3373 7.3501 7.4343 7.4702 7.5425 7.6148 7.8397 7.8903 7.9059 8.0628 8.5706 8.5948 8.6071 8.6493 9.2164 9.2961 10.7790 10.7849 11.5217 11.5362 13.4509 13.4773 14.2715 14.3531 15.0987 15.1195 15.9731 15.9949 k = 0.5000 0.2538-0.0000 ( 2682 PWs) bands (ev): 3.3062 3.3094 5.2153 5.2165 5.7060 5.7375 6.0006 6.0716 6.1838 6.1959 6.4510 6.4908 6.6202 6.7041 6.8242 6.8747 7.0660 7.1870 7.3379 7.3610 7.4345 7.4670 7.5432 7.6157 7.8439 7.8950 7.9342 8.0804 8.5669 8.5925 8.6010 8.6407 9.2143 9.2854 10.7294 10.7343 11.4783 11.4905 13.4676 13.4909 14.3113 14.3834 15.1206 15.1390 16.0513 16.0726 k = 0.5000 0.2632-0.0000 ( 2682 PWs) bands (ev): 3.3049 3.3076 5.2302 5.2313 5.7248 5.7562 5.9855 6.0502 6.1847 6.1951 6.4492 6.4846 6.6139 6.6859 6.8215 6.8642 7.0856 7.1992 7.3394 7.3695 7.4362 7.4636 7.5454 7.6137 7.8501 7.8986 7.9642 8.0953 8.5633 8.5896 8.5952 8.6309 9.2132 9.2744 10.6867 10.6908 11.4416 11.4516 13.4826 13.5026 14.3474 14.4092 15.1400 15.1558 16.1306 16.1512 k = 0.5000 0.2726-0.0000 ( 2690 PWs) bands (ev): 3.3038 3.3060 5.2429 5.2438 5.7437 5.7741 5.9711 6.0283 6.1857 6.1943 6.4480 6.4779 6.6101 6.6689 6.8198 6.8544 7.1053 7.2054 7.3426 7.3754 7.4387 7.4600 7.5494 7.6093 7.8578 7.9009 7.9942 8.1060 8.5605 8.5862 8.5901 8.6201 9.2133 9.2636 10.6514 10.6546 11.4117 11.4196 13.4956 13.5120 14.3794 14.4300 15.1567 15.1696 16.2094 16.2290 k = 0.5000 0.2820-0.0000 ( 2686 PWs) bands (ev): 3.3031 3.3047 5.2531 5.2537 5.7621 5.7900 5.9588 6.0069 6.1868 6.1934 6.4479 6.4712 6.6089 6.6536 6.8194 6.8455 7.1248 7.2056 7.3481 7.3784 7.4414 7.4566 7.5551 7.6032 7.8665 7.9015 8.0232 8.1116 8.5594 8.5826 8.5861 8.6089 9.2148 9.2533 10.6237 10.6261 11.3886 11.3944 13.5065 13.5191 14.4066 14.4452 15.1704 15.1803 16.2852 16.3030 k = 0.5000 0.2914-0.0000 ( 2694 PWs) bands (ev): 3.3026 3.3037 5.2606 5.2610 5.7793 5.8016 5.9505 5.9865 6.1879 6.1924 6.4489 6.4648 6.6101 6.6401 6.8202 6.8377 7.1436 7.2002 7.3551 7.3783 7.4439 7.4534 7.5621 7.5958 7.8754 7.9001 8.0498 8.1112 8.5606 8.5789 8.5835 8.5982 9.2177 9.2438 10.6038 10.6054 11.3723 11.3762 13.5151 13.5236 14.4284 14.4545 15.1809 15.1876 16.3530 16.3675 k = 0.5000 0.3008-0.0000 ( 2700 PWs) bands (ev): 3.3024 3.3030 5.2652 5.2654 5.7938 5.8067 5.9489 5.9686 6.1891 6.1914 6.4511 6.4592 6.6138 6.6289 6.8225 6.8312 7.1611 7.1902 7.3628 7.3753 7.4461 7.4506 7.5702 7.5875 7.8838 7.8966 8.0729 8.1044 8.5642 8.5748 8.5826 8.5894 9.2221 9.2352 10.5920 10.5928 11.3629 11.3648 13.5212 13.5254 14.4443 14.4575 15.1880 15.1914 16.4045 16.4131 k = 0.5000 0.3102-0.0000 ( 2696 PWs) bands (ev): 3.3025 3.3025 5.2668 5.2668 5.8037 5.8037 5.9553 5.9553 6.1903 6.1903 6.4546 6.4546 6.6202 6.6202 6.8261 6.8261 7.1769 7.1769 7.3699 7.3699 7.4483 7.4483 7.5788 7.5788 7.8911 7.8911 8.0915 8.0915 8.5696 8.5696 8.5843 8.5843 9.2280 9.2280 10.5883 10.5883 11.3604 11.3604 13.5246 13.5246 14.4541 14.4541 15.1915 15.1915 16.4272 16.4272 k = 0.5000 0.3102-0.0000 ( 2696 PWs) bands (ev): 3.3025 3.3025 5.2668 5.2668 5.8037 5.8037 5.9553 5.9553 6.1903 6.1903 6.4546 6.4546 6.6202 6.6202 6.8261 6.8261 7.1769 7.1769 7.3699 7.3699 7.4483 7.4483 7.5788 7.5788 7.8911 7.8911 8.0915 8.0915 8.5696 8.5696 8.5843 8.5843 9.2280 9.2280 10.5883 10.5883 11.3604 11.3604 13.5246 13.5246 14.4541 14.4541 15.1915 15.1915 16.4272 16.4272 k = 0.4906 0.3102-0.0000 ( 2688 PWs) bands (ev): 3.2946 3.2947 5.2722 5.2746 5.8016 5.8085 5.9554 5.9561 6.1905 6.1916 6.4529 6.4568 6.6176 6.6229 6.8242 6.8288 7.1702 7.1813 7.3687 7.3701 7.4481 7.4484 7.5727 7.5852 7.8862 7.8956 8.0822 8.0988 8.5684 8.5684 8.5815 8.5862 9.2304 9.2319 10.5503 10.5667 11.3857 11.4000 13.5052 13.5172 14.4062 14.4655 15.1886 15.2405 16.4391 16.4448 k = 0.4811 0.3102-0.0000 ( 2688 PWs) bands (ev): 3.2713 3.2715 5.2900 5.2952 5.8018 5.8160 5.9561 5.9575 6.1920 6.1944 6.4516 6.4594 6.6150 6.6257 6.8229 6.8322 7.1610 7.1835 7.3660 7.3696 7.4481 7.4481 7.5677 7.5913 7.8809 7.8995 8.0711 8.1039 8.5646 8.5649 8.5775 8.5870 9.2391 9.2420 10.4668 10.4947 11.4666 11.4902 13.4611 13.4831 14.3343 14.4357 15.2355 15.3232 16.4802 16.4887 k = 0.4717 0.3102-0.0000 ( 2688 PWs) bands (ev): 3.2337 3.2340 5.3189 5.3274 5.8044 5.8266 5.9576 5.9596 6.1951 6.1986 6.4507 6.4623 6.6124 6.6286 6.8224 6.8364 7.1491 7.1837 7.3615 7.3687 7.4471 7.4487 7.5643 7.5964 7.8757 7.9027 8.0582 8.1071 8.5583 8.5596 8.5721 8.5867 9.2541 9.2584 10.3581 10.3927 11.5826 11.6107 13.3958 13.4249 14.2490 14.3731 15.3229 15.4287 16.5116 16.5420 k = 0.4623 0.3102-0.0000 ( 2692 PWs) bands (ev): 3.1836 3.1840 5.3565 5.3691 5.8095 5.8407 5.9598 5.9623 6.1995 6.2044 6.4501 6.4657 6.6097 6.6316 6.8226 6.8412 7.1346 7.1819 7.3552 7.3676 7.4449 7.4499 7.5630 7.5998 7.8706 7.9052 8.0437 8.1081 8.5495 8.5524 8.5652 8.5852 9.2757 9.2813 10.2376 10.2763 11.7180 11.7480 13.3138 13.3467 14.1562 14.2897 15.4377 15.5502 16.3934 16.4327 k = 0.4528 0.3102-0.0000 ( 2684 PWs) bands (ev): 3.1227 3.1233 5.4001 5.4179 5.8173 5.8588 5.9628 5.9657 6.2056 6.2120 6.4499 6.4693 6.6070 6.6347 6.8237 6.8468 7.1175 7.1782 7.3472 7.3663 7.4413 7.4519 7.5642 7.6013 7.8659 7.9069 8.0278 8.1074 8.5383 8.5434 8.5569 8.5822 9.3040 9.3106 10.1123 10.1538 11.8643 11.8948 13.2190 13.2530 14.0589 14.1941 15.5704 15.6834 16.2627 16.2964 k = 0.4434 0.3102-0.0000 ( 2676 PWs) bands (ev): 3.0531 3.0538 5.4468 5.4713 5.8279 5.8814 5.9664 5.9695 6.2133 6.2214 6.4500 6.4732 6.6042 6.6380 6.8256 6.8531 7.0978 7.1727 7.3378 7.3648 7.4360 7.4548 7.5677 7.6006 7.8618 7.9079 8.0107 8.1049 8.5248 8.5325 8.5473 8.5778 9.3389 9.3463 9.9863 10.0299 12.0165 12.0466 13.1151 13.1481 13.9590 14.0920 15.7145 15.8244 16.1366 16.1655 k = 0.4340 0.3102-0.0000 ( 2688 PWs) bands (ev): 2.9765 2.9772 5.4939 5.5264 5.8418 5.9089 5.9706 5.9737 6.2225 6.2327 6.4502 6.4770 6.6011 6.6413 6.8284 6.8601 7.0758 7.1651 7.3274 7.3629 7.4287 7.4580 7.5734 7.5977 7.8581 7.9080 7.9923 8.1009 8.5092 8.5194 8.5364 8.5718 9.3803 9.3882 9.8623 9.9076 12.1709 12.2003 13.0054 13.0360 13.8576 13.9865 15.8601 15.9566 16.0233 16.0553 k = 0.4245 0.3102-0.0000 ( 2690 PWs) bands (ev): 2.8944 2.8952 5.5391 5.5804 5.8597 5.9414 5.9756 5.9783 6.2335 6.2464 6.4506 6.4809 6.5979 6.6449 6.8322 6.8676 7.0518 7.1558 7.3167 7.3608 7.4193 7.4611 7.5809 7.5933 7.8550 7.9075 7.9730 8.0957 8.4916 8.5044 8.5243 8.5642 9.4271 9.4348 9.7434 9.7901 12.3239 12.3521 12.8936 12.9209 13.7558 13.8797 15.8778 15.9020 16.0512 16.1390 k = 0.4151 0.3102-0.0000 ( 2682 PWs) bands (ev): 2.8082 2.8091 5.5807 5.6309 5.8818 5.9753 5.9816 5.9862 6.2465 6.2629 6.4512 6.4845 6.5945 6.6487 6.8372 6.8756 7.0259 7.1447 7.3062 7.3582 7.4078 7.4630 7.5883 7.5900 7.8520 7.9062 7.9531 8.0898 8.4724 8.4874 8.5112 8.5550 9.4732 9.4779 9.6390 9.6847 12.4668 12.4930 12.7888 12.8112 13.6545 13.7730 15.7774 15.7907 16.2103 16.2178 k = 0.4057 0.3102-0.0000 ( 2678 PWs) bands (ev): 2.7190 2.7200 5.6180 5.6755 5.9077 5.9854 5.9893 6.0210 6.2614 6.2827 6.4519 6.4877 6.5909 6.6530 6.8432 6.8837 6.9985 7.1324 7.2961 7.3553 7.3939 7.4622 7.5844 7.6001 7.8489 7.9037 7.9329 8.0834 8.4516 8.4684 8.4968 8.5440 9.4619 9.4815 9.6057 9.6294 12.5526 12.5642 12.7488 12.7533 13.5548 13.6674 15.6791 15.6848 16.1435 16.2475 k = 0.3962 0.3102-0.0000 ( 2678 PWs) bands (ev): 2.6278 2.6288 5.6510 5.7136 5.9346 5.9897 6.0006 6.0625 6.2783 6.3065 6.4526 6.4900 6.5872 6.6578 6.8503 6.8915 6.9699 7.1193 7.2869 7.3519 7.3775 7.4569 7.5831 7.6107 7.8452 7.8983 7.9147 8.0771 8.4296 8.4474 8.4813 8.5311 9.3721 9.4089 9.6590 9.6684 12.4897 12.4913 12.8353 12.8486 13.4576 13.5636 15.5883 15.5903 16.0512 16.1502 k = 0.3868 0.3102-0.0000 ( 2682 PWs) bands (ev): 2.5352 2.5363 5.6802 5.7453 5.9567 5.9930 6.0196 6.1031 6.2973 6.3345 6.4536 6.4913 6.5834 6.6633 6.8582 6.8985 6.9409 7.1064 7.2785 7.3481 7.3588 7.4465 7.5853 7.6212 7.8408 7.8841 7.9049 8.0711 8.4066 8.4246 8.4647 8.5161 9.2736 9.3141 9.7346 9.7437 12.3770 12.3777 12.9597 12.9778 13.3652 13.4622 15.5038 15.5139 15.9578 16.0536 k = 0.3774 0.3102-0.0000 ( 2686 PWs) bands (ev): 2.4420 2.4431 5.7063 5.7720 5.9700 5.9952 6.0477 6.1408 6.3182 6.3662 6.4553 6.4914 6.5799 6.6698 6.8660 6.9037 6.9127 7.0951 7.2711 7.3378 7.3436 7.4313 7.5904 7.6306 7.8355 7.8647 7.9003 8.0658 8.3831 8.3998 8.4473 8.4987 9.1789 9.2198 9.8207 9.8332 12.2538 12.2603 13.0718 13.1020 13.2858 13.3636 15.4345 15.4530 15.8656 15.9588 k = 0.3679 0.3102-0.0000 ( 2686 PWs) bands (ev): 2.3487 2.3498 5.7301 5.7952 5.9767 5.9960 6.0806 6.1747 6.3405 6.3986 6.4598 6.4900 6.5771 6.6774 6.8658 6.8936 6.9063 7.0866 7.2646 7.3145 7.3379 7.4133 7.5972 7.6375 7.8296 7.8458 7.8966 8.0613 8.3592 8.3729 8.4292 8.4786 9.0908 9.1305 9.9149 9.9330 12.1285 12.1424 13.1119 13.2123 13.2685 13.2690 15.3840 15.4107 15.7758 15.8667 k = 0.3585 0.3102-0.0000 ( 2686 PWs) bands (ev): 2.2556 2.2568 5.7520 5.8160 5.9794 5.9948 6.1140 6.2048 6.3634 6.4235 6.4728 6.4872 6.5760 6.6859 6.8442 6.8976 6.9054 7.0823 7.2587 7.2896 7.3297 7.3948 7.6038 7.6404 7.8238 7.8294 7.8931 8.0578 8.3350 8.3437 8.4108 8.4557 9.0108 9.0477 10.0164 10.0420 12.0031 12.0261 13.0536 13.1751 13.3056 13.3354 15.3559 15.3899 15.6892 15.7790 k = 0.3491 0.3102-0.0000 ( 2678 PWs) bands (ev): 2.1632 2.1644 5.7725 5.8350 5.9789 5.9912 6.1463 6.2320 6.3858 6.4342 6.4836 6.4966 6.5797 6.6951 6.8173 6.9006 6.9090 7.0829 7.2511 7.2653 7.3170 7.3791 7.6085 7.6372 7.8175 7.8191 7.8896 8.0550 8.3105 8.3122 8.3923 8.4299 8.9397 8.9722 10.1240 10.1594 11.8788 11.9126 12.9752 13.0865 13.3749 13.4017 15.3530 15.3913 15.6079 15.6987 k = 0.3396 0.3102-0.0000 ( 2674 PWs) bands (ev): 2.0717 2.0730 5.7918 5.8528 5.9752 5.9845 6.1768 6.2570 6.4058 6.4376 6.4802 6.5166 6.5944 6.7043 6.7915 6.8928 6.9218 7.0880 7.2293 7.2545 7.2984 7.3687 7.6098 7.6268 7.8111 7.8166 7.8862 8.0528 8.2784 8.2854 8.3741 8.4016 8.8780 8.9044 10.2364 10.2846 11.7561 11.8034 12.8957 13.0015 13.4190 13.4461 15.3714 15.4075 15.5387 15.6358 k = 0.3302 0.3102-0.0000 ( 2674 PWs) bands (ev): 1.9815 1.9828 5.8101 5.8696 5.9680 5.9741 6.2058 6.2805 6.4205 6.4390 6.4795 6.5240 6.6222 6.7113 6.7696 6.8831 6.9348 7.0966 7.1998 7.2511 7.2754 7.3632 7.6066 7.6095 7.8100 7.8174 7.8832 8.0504 8.2426 8.2589 8.3564 8.3722 8.8257 8.8444 10.3512 10.4165 11.6359 11.7006 12.8182 12.9205 13.4371 13.4645 15.3765 15.4087 15.5169 15.6203 k = 0.3208 0.3102-0.0000 ( 2674 PWs) bands (ev): 1.8927 1.8940 5.8274 5.8852 5.9569 5.9597 6.2336 6.3031 6.4265 6.4403 6.4849 6.5235 6.6557 6.7111 6.7566 6.8732 6.9470 7.1071 7.1687 7.2496 7.2508 7.3612 7.5867 7.5986 7.8125 7.8217 7.8805 8.0470 8.2062 8.2299 8.3395 8.3437 8.7821 8.7921 10.4647 10.5534 11.5197 11.6077 12.7438 12.8438 13.4311 13.4576 15.3282 15.3674 15.5810 15.6780 k = 0.3113 0.3102-0.0000 ( 2674 PWs) bands (ev): 1.8055 1.8068 5.8439 5.8993 5.9408 5.9420 6.2606 6.3251 6.4247 6.4422 6.4958 6.5194 6.6886 6.7000 6.7562 6.8648 6.9570 7.1163 7.1388 7.2272 7.2495 7.3618 7.5606 7.5866 7.8171 7.8291 7.8784 8.0408 8.1712 8.1976 8.3183 8.3235 8.7463 8.7469 10.5704 10.6919 11.4105 11.5305 12.6733 12.7718 13.4042 13.4286 15.2619 15.3043 15.6917 15.7845 k = 0.3019 0.3102-0.0000 ( 2674 PWs) bands (ev): 1.7201 1.7214 5.8594 5.9067 5.9173 5.9281 6.2871 6.3465 6.4191 6.4450 6.5081 6.5134 6.6842 6.7172 6.7617 6.8599 6.9628 7.0999 7.1341 7.2073 7.2508 7.3646 7.5331 7.5716 7.8222 7.8386 7.8770 8.0288 8.1414 8.1619 8.2977 8.3086 8.7082 8.7169 10.6573 10.8224 11.3168 11.4792 12.6072 12.7053 13.3602 13.3819 15.1938 15.2361 15.8284 15.9194 k = 0.2925 0.3102-0.0000 ( 2676 PWs) bands (ev): 1.6366 1.6379 5.8735 5.8890 5.8896 5.9332 6.3135 6.3675 6.4125 6.4490 6.5065 6.5195 6.6683 6.7383 6.7680 6.8608 6.9623 7.0686 7.1429 7.1932 7.2535 7.3695 7.5060 7.5551 7.8270 7.8490 7.8764 8.0079 8.1210 8.1242 8.2818 8.2949 8.6752 8.6925 10.7101 10.9143 11.2683 11.4676 12.5464 12.6452 13.3029 13.3214 15.1272 15.1677 15.9834 16.0736 k = 0.2830 0.3102-0.0000 ( 2668 PWs) bands (ev): 1.5552 1.5564 5.8557 5.8592 5.8883 5.9446 6.3399 6.3878 6.4061 6.4540 6.4994 6.5287 6.6540 6.7495 6.7734 6.8690 6.9544 7.0377 7.1498 7.1868 7.2575 7.3766 7.4812 7.5383 7.8310 7.8589 7.8767 7.9790 8.0861 8.1104 8.2703 8.2824 8.6470 8.6722 10.7179 10.9133 11.3173 11.5044 12.4924 12.5934 13.2355 13.2507 15.0628 15.1011 16.1518 16.2417 k = 0.2736 0.3102-0.0000 ( 2664 PWs) bands (ev): 1.4759 1.4771 5.8190 5.8238 5.9005 5.9557 6.3661 6.4004 6.4063 6.4597 6.4932 6.5353 6.6414 6.7514 6.7773 6.8827 6.9392 7.0091 7.1532 7.1876 7.2626 7.3860 7.4604 7.5223 7.8336 7.8649 7.8778 7.9485 8.0495 8.1064 8.2624 8.2712 8.6231 8.6549 10.6848 10.8415 11.4385 11.5820 12.4477 12.5531 13.1607 13.1729 15.0010 15.0367 16.3302 16.4200 k = 0.2642 0.3102-0.0000 ( 2664 PWs) bands (ev): 1.3988 1.4000 5.7785 5.7841 5.9117 5.9660 6.3880 6.3995 6.4204 6.4662 6.4902 6.5391 6.6305 6.7467 6.7796 6.8969 6.9186 6.9848 7.1525 7.1940 7.2684 7.3975 7.4451 7.5082 7.8345 7.8591 7.8797 7.9272 8.0160 8.1062 8.2574 8.2612 8.6027 8.6398 10.6243 10.7468 11.5785 11.6805 12.4172 12.5298 13.0808 13.0904 14.9419 14.9750 16.5157 16.6058 k = 0.2547 0.3102-0.0000 ( 2664 PWs) bands (ev): 1.3240 1.3251 5.7349 5.7408 5.9216 5.9752 6.3866 6.4219 6.4252 6.4760 6.4923 6.5404 6.6205 6.7373 6.7803 6.8953 6.9059 6.9686 7.1482 7.2040 7.2746 7.4109 7.4361 7.4970 7.8331 7.8352 7.8824 7.9233 7.9873 8.1083 8.2524 8.2549 8.5853 8.6265 10.5482 10.6455 11.7106 11.7781 12.4102 12.5324 12.9978 13.0058 14.8857 14.9161 16.7059 16.7966 k = 0.2453 0.3102-0.0000 ( 2668 PWs) bands (ev): 1.2515 1.2527 5.6889 5.6946 5.9301 5.9830 6.3807 6.4199 6.4477 6.4902 6.4986 6.5400 6.6106 6.7244 6.7794 6.8718 6.9047 6.9634 7.1421 7.2158 7.2813 7.4253 7.4328 7.4899 7.8021 7.8287 7.8852 7.9285 7.9656 8.1119 8.2449 8.2543 8.5705 8.6144 10.4638 10.5425 11.8134 11.8549 12.4399 12.5712 12.9151 12.9226 14.8321 14.8600 16.8987 16.9903 k = 0.2358 0.3102-0.0000 ( 2668 PWs) bands (ev): 1.1815 1.1826 5.6409 5.6463 5.9373 5.9895 6.3733 6.4085 6.4722 6.5042 6.5085 6.5394 6.6004 6.7089 6.7762 6.8508 6.8972 6.9638 7.1371 7.2285 7.2886 7.4341 7.4385 7.4892 7.7672 7.8212 7.8859 7.9359 7.9540 8.1166 8.2387 8.2554 8.5579 8.6033 10.3752 10.4397 11.8718 11.8988 12.5108 12.6432 12.8443 12.8506 14.7813 14.8067 17.0920 17.1846 k = 0.2264 0.3102-0.0000 ( 2668 PWs) bands (ev): 1.1140 1.1151 5.5916 5.5966 5.9429 5.9946 6.3641 6.3936 6.4927 6.5140 6.5220 6.5399 6.5902 6.6920 6.7695 6.8356 6.8894 6.9625 7.1361 7.2413 7.2967 7.4382 7.4473 7.4978 7.7329 7.8112 7.8829 7.9435 7.9543 8.1225 8.2336 8.2576 8.5474 8.5928 10.2847 10.3380 11.8890 11.9115 12.5782 12.6706 12.8306 12.8594 14.7331 14.7561 17.2834 17.3773 k = 0.2170 0.3102-0.0000 ( 2664 PWs) bands (ev): 1.0490 1.0501 5.5414 5.5459 5.9470 5.9982 6.3529 6.3763 6.5055 6.5225 6.5330 6.5409 6.5836 6.6757 6.7591 6.8281 6.8838 6.9573 7.1403 7.2540 7.3054 7.4438 7.4518 7.5151 7.7002 7.7998 7.8772 7.9504 7.9645 8.1291 8.2297 8.2608 8.5387 8.5828 10.1937 10.2378 11.8803 11.9027 12.5571 12.6048 12.9321 12.9982 14.6875 14.7083 17.4705 17.5655 k = 0.2075 0.3102-0.0000 ( 2668 PWs) bands (ev): 0.9866 0.9876 5.4909 5.4949 5.9496 6.0002 6.3393 6.3571 6.5100 6.5293 6.5357 6.5392 6.5861 6.6619 6.7489 6.8273 6.8806 6.9500 7.1491 7.2664 7.3147 7.4499 7.4549 7.5371 7.6699 7.7886 7.8709 7.9564 7.9815 8.1366 8.2268 8.2645 8.5318 8.5730 10.1030 10.1394 11.8581 11.8813 12.4842 12.5191 13.1058 13.1775 14.6443 14.6631 17.6501 17.7458 k = 0.1981 0.3102-0.0000 ( 2664 PWs) bands (ev): 0.9267 0.9277 5.4404 5.4439 5.9508 6.0007 6.3232 6.3362 6.5092 6.5241 6.5302 6.5432 6.5929 6.6515 6.7443 6.8309 6.8795 6.9438 7.1612 7.2786 7.3243 7.4560 7.4584 7.5607 7.6429 7.7786 7.8649 7.9613 8.0032 8.1447 8.2250 8.2687 8.5266 8.5634 10.0133 10.0430 11.8293 11.8531 12.3985 12.4296 13.3058 13.3751 14.6037 14.6206 17.8187 17.9141 k = 0.1887 0.3102-0.0000 ( 2668 PWs) bands (ev): 0.8695 0.8705 5.3904 5.3934 5.9505 5.9997 6.3048 6.3138 6.5009 6.5144 6.5219 6.5486 6.5948 6.6430 6.7497 6.8373 6.8798 6.9420 7.1752 7.2906 7.3340 7.4618 7.4625 7.5801 7.6239 7.7707 7.8594 7.9653 8.0285 8.1532 8.2240 8.2730 8.5230 8.5538 9.9249 9.9487 11.7975 11.8215 12.3093 12.3393 13.5188 13.5842 14.5655 14.5805 17.9723 18.0657 k = 0.1792 0.3102-0.0000 ( 2668 PWs) bands (ev): 0.8150 0.8159 5.3412 5.3438 5.9488 5.9971 6.2842 6.2902 6.4857 6.5083 6.5090 6.5537 6.5903 6.6342 6.7649 6.8463 6.8813 6.9466 7.1901 7.3024 7.3433 7.4668 7.4674 7.5781 7.6300 7.7649 7.8546 7.9684 8.0567 8.1619 8.2238 8.2774 8.5212 8.5442 9.8380 9.8567 11.7647 11.7884 12.2193 12.2494 13.7400 13.8012 14.5296 14.5430 18.1071 18.1963 k = 0.1698 0.3102-0.0000 ( 2668 PWs) bands (ev): 0.7632 0.7640 5.2931 5.2953 5.9458 5.9930 6.2618 6.2655 6.4692 6.4923 6.5029 6.5573 6.5825 6.6235 6.7859 6.8583 6.8837 6.9582 7.2052 7.3140 7.3522 7.4705 7.4732 7.5626 7.6534 7.7613 7.8505 7.9706 8.0873 8.1707 8.2244 8.2819 8.5212 8.5345 9.7531 9.7671 11.7319 11.7550 12.1300 12.1604 13.9667 14.0239 14.4963 14.5082 18.2202 18.3027 k = 0.1604 0.3102-0.0000 ( 2672 PWs) bands (ev): 0.7140 0.7148 5.2464 5.2483 5.9417 5.9875 6.2381 6.2401 6.4529 6.4757 6.4942 6.5585 6.5747 6.6116 6.8075 6.8751 6.8867 6.9761 7.2202 7.3255 7.3605 7.4722 7.4794 7.5486 7.6797 7.7595 7.8474 7.9721 8.1194 8.1792 8.2257 8.2864 8.5231 8.5247 9.6702 9.6799 11.6998 11.7220 12.0418 12.0728 14.1965 14.2499 14.4663 14.4768 18.3107 18.3848 k = 0.1509 0.3102-0.0000 ( 2668 PWs) bands (ev): 0.6676 0.6684 5.2014 5.2029 5.9364 5.9807 6.2136 6.2143 6.4375 6.4593 6.4831 6.5553 6.5689 6.6008 6.8259 6.8900 6.8983 6.9995 7.2347 7.3369 7.3681 7.4700 7.4863 7.5402 7.7063 7.7589 7.8454 7.9730 8.1525 8.1872 8.2275 8.2913 8.5149 8.5271 9.5896 9.5955 11.6687 11.6897 11.9555 11.9872 14.4036 14.4297 14.4640 14.4972 18.3798 18.4447 k = 0.1415 0.3102-0.0000 ( 2676 PWs) bands (ev): 0.6239 0.6247 5.1582 5.1595 5.9303 5.9726 6.1885 6.1887 6.4227 6.4434 6.4702 6.5458 6.5652 6.5940 6.8397 6.8934 6.9279 7.0268 7.2485 7.3480 7.3751 7.4633 7.4938 7.5379 7.7323 7.7590 7.8449 7.9733 8.1850 8.1943 8.2299 8.2971 8.5051 8.5331 9.5114 9.5138 11.6391 11.6585 11.8713 11.9037 14.4023 14.4117 14.6743 14.7198 18.4306 18.4864 k = 0.1321 0.3102-0.0000 ( 2676 PWs) bands (ev): 0.5830 0.5837 5.1170 5.1181 5.9234 5.9635 6.1629 6.1638 6.4088 6.4284 6.4566 6.5313 6.5633 6.5910 6.8502 6.8967 6.9617 7.0572 7.2616 7.3589 7.3818 7.4537 7.5021 7.5404 7.7572 7.7594 7.8462 7.9733 8.2004 8.2150 8.2328 8.3057 8.4954 8.5412 9.4352 9.4359 11.6109 11.6284 11.7898 11.8229 14.3783 14.3861 14.9102 14.9534 18.4665 18.5142 k = 0.1226 0.3102-0.0000 ( 2672 PWs) bands (ev): 0.5449 0.5455 5.0780 5.0790 5.9158 5.9535 6.1381 6.1393 6.3959 6.4143 6.4432 6.5144 6.5624 6.5899 6.8587 6.8998 6.9981 7.0897 7.2738 7.3693 7.3886 7.4432 7.5109 7.5454 7.7596 7.7804 7.8494 7.9730 8.2054 8.2364 8.2389 8.3197 8.4861 8.5513 9.3597 9.3632 11.5844 11.5995 11.7112 11.7453 14.3553 14.3619 15.1474 15.1880 18.4911 18.5317 k = 0.1132 0.3102-0.0000 ( 2672 PWs) bands (ev): 0.5095 0.5101 5.0414 5.0422 5.9079 5.9429 6.1141 6.1156 6.3839 6.4011 6.4306 6.4969 6.5623 6.5893 6.8658 6.9025 7.0359 7.1233 7.2852 7.3789 7.3956 7.4332 7.5199 7.5516 7.7593 7.8016 7.8546 7.9727 8.2091 8.2405 8.2535 8.3413 8.4777 8.5631 9.2877 9.2936 11.5597 11.5712 11.6360 11.6720 14.3338 14.3395 15.3839 15.4219 18.5074 18.5421 k = 0.1038 0.3102-0.0000 ( 2668 PWs) bands (ev): 0.4770 0.4775 5.0074 5.0080 5.8997 5.9319 6.0913 6.0930 6.3727 6.3889 6.4189 6.4798 6.5627 6.5889 6.8718 6.9047 7.0744 7.1573 7.2960 7.3867 7.4028 7.4253 7.5289 7.5581 7.7586 7.8204 7.8616 7.9723 8.2116 8.2454 8.2602 8.3677 8.4714 8.5763 9.2193 9.2273 11.5368 11.5415 11.5645 11.6053 14.3141 14.3190 15.6184 15.6537 18.5178 18.5476 k = 0.0943 0.3102-0.0000 ( 2666 PWs) bands (ev): 0.4472 0.4477 4.9759 4.9764 5.8915 5.9207 6.0699 6.0716 6.3626 6.3776 6.4085 6.4636 6.5633 6.5883 6.8771 6.9065 7.1130 7.1906 7.3067 7.3908 7.4103 7.4216 7.5377 7.5645 7.7576 7.8361 7.8703 7.9723 8.2128 8.2510 8.2619 8.3923 8.4702 8.5903 9.1551 9.1645 11.4972 11.5030 11.5159 11.5531 14.2962 14.3004 15.8494 15.8821 18.5243 18.5500 k = 0.0849 0.3102-0.0000 ( 2668 PWs) bands (ev): 0.4203 0.4207 4.9471 4.9475 5.8834 5.9096 6.0500 6.0518 6.3534 6.3672 6.3994 6.4485 6.5640 6.5875 6.8816 6.9078 7.1513 7.2222 7.3180 7.3893 7.4178 7.4236 7.5460 7.5704 7.7565 7.8482 7.8801 7.9727 8.2129 8.2575 8.2605 8.4071 8.4801 8.6048 9.0953 9.1056 11.4346 11.4510 11.4968 11.5207 14.2800 14.2836 16.0751 16.1051 18.5282 18.5505 k = 0.0755 0.3102-0.0000 ( 2660 PWs) bands (ev): 0.3962 0.3966 4.9212 4.9215 5.8757 5.8989 6.0319 6.0336 6.3453 6.3579 6.3917 6.4348 6.5650 6.5865 6.8856 6.9087 7.1890 7.2504 7.3312 7.3844 7.4250 7.4293 7.5536 7.5758 7.7556 7.8563 7.8909 7.9739 8.2121 8.2570 8.2649 8.4095 8.5023 8.6191 9.0404 9.0509 11.3770 11.3959 11.4797 11.4980 14.2656 14.2687 16.2933 16.3205 18.5308 18.5502 k = 0.0660 0.3102-0.0000 ( 2656 PWs) bands (ev): 0.3749 0.3753 4.8981 4.8984 5.8686 5.8887 6.0157 6.0173 6.3383 6.3495 6.3851 6.4225 6.5660 6.5853 6.8891 6.9092 7.2255 7.2734 7.3472 7.3784 7.4316 7.4361 7.5606 7.5804 7.7554 7.8601 7.9023 7.9758 8.2106 8.2518 8.2733 8.4054 8.5299 8.6325 8.9907 9.0008 11.3250 11.3438 11.4647 11.4796 14.2530 14.2555 16.5013 16.5256 18.5328 18.5497 k = 0.0566 0.3102-0.0000 ( 2658 PWs) bands (ev): 0.3564 0.3567 4.8780 4.8782 5.8622 5.8792 6.0013 6.0028 6.3323 6.3420 6.3798 6.4115 6.5671 6.5840 6.8921 6.9093 7.2604 7.2906 7.3662 7.3724 7.4373 7.4428 7.5667 7.5842 7.7563 7.8598 7.9141 7.9781 8.2087 8.2455 8.2826 8.3989 8.5582 8.6444 8.9469 8.9557 11.2790 11.2965 11.4518 11.4640 14.2421 14.2442 16.6961 16.7173 18.5350 18.5497 k = 0.0472 0.3102-0.0000 ( 2662 PWs) bands (ev): 0.3408 0.3411 4.8609 4.8610 5.8567 5.8708 5.9891 5.9904 6.3273 6.3355 6.3757 6.4018 6.5682 6.5825 6.8947 6.9090 7.2934 7.3031 7.3665 7.3863 7.4417 7.4488 7.5719 7.5870 7.7585 7.8557 7.9258 7.9803 8.2066 8.2383 8.2926 8.3915 8.5849 8.6543 8.9094 8.9162 11.2394 11.2549 11.4409 11.4509 14.2329 14.2346 16.8735 16.8915 18.5378 18.5504 k = 0.0377 0.3102-0.0000 ( 2662 PWs) bands (ev): 0.3280 0.3282 4.8468 4.8469 5.8522 5.8634 5.9791 5.9801 6.3234 6.3301 6.3729 6.3936 6.5694 6.5810 6.8970 6.9084 7.3126 7.3238 7.3609 7.4048 7.4447 7.4538 7.5765 7.5891 7.7626 7.8483 7.9373 7.9819 8.2047 8.2308 8.3033 8.3836 8.6090 8.6620 8.8783 8.8828 11.2067 11.2197 11.4321 11.4400 14.2254 14.2267 17.0291 17.0436 18.5415 18.5519 k = 0.0283 0.3102-0.0000 ( 2662 PWs) bands (ev): 0.3181 0.3183 4.8358 4.8359 5.8489 5.8572 5.9712 5.9720 6.3206 6.3256 6.3713 6.3867 6.5707 6.5795 6.8991 6.9076 7.3204 7.3503 7.3565 7.4187 7.4468 7.4576 7.5804 7.5902 7.7690 7.8383 7.9481 7.9823 8.2034 8.2234 8.3144 8.3753 8.6294 8.6669 8.8540 8.8562 11.1812 11.1914 11.4255 11.4313 14.2197 14.2206 17.1579 17.1688 18.5459 18.5541 k = 0.0189 0.3102-0.0000 ( 2672 PWs) bands (ev): 0.3110 0.3111 4.8280 4.8280 5.8468 5.8523 5.9656 5.9662 6.3188 6.3221 6.3708 6.3810 6.5720 6.5779 6.9008 6.9065 7.3270 7.3495 7.3758 7.4247 7.4499 7.4598 7.5837 7.5904 7.7776 7.8265 7.9578 7.9811 8.2030 8.2166 8.3255 8.3664 8.6456 8.6691 8.8365 8.8369 11.1633 11.1703 11.4210 11.4249 14.2156 14.2162 17.2549 17.2621 18.5505 18.5562 k = 0.0094 0.3102-0.0000 ( 2676 PWs) bands (ev): 0.3068 0.3068 4.8233 4.8233 5.8461 5.8488 5.9623 5.9626 6.3181 6.3198 6.3715 6.3766 6.5733 6.5763 6.9025 6.9053 7.3331 7.3442 7.3956 7.4213 7.4546 7.4602 7.5863 7.5898 7.7884 7.8137 7.9662 7.9780 8.2041 8.2109 8.3364 8.3570 8.6574 8.6686 8.8254 8.8256 11.1533 11.1568 11.4187 11.4207 14.2132 14.2135 17.3157 17.3194 18.5545 18.5575 k = 0.0000 0.3102-0.0000 ( 2680 PWs) bands (ev): 0.3054 0.3054 4.8217 4.8217 5.8467 5.8467 5.9612 5.9612 6.3184 6.3184 6.3734 6.3734 6.5748 6.5748 6.9040 6.9040 7.3388 7.3388 7.4111 7.4111 7.4584 7.4584 7.5884 7.5884 7.8007 7.8007 7.9731 7.9731 8.2067 8.2067 8.3470 8.3470 8.6649 8.6649 8.8218 8.8218 11.1511 11.1511 11.4186 11.4186 14.2125 14.2125 17.3376 17.3376 18.5570 18.5570 k = 0.0000 0.3102-0.0000 ( 2680 PWs) bands (ev): 0.3054 0.3054 4.8217 4.8217 5.8467 5.8467 5.9612 5.9612 6.3184 6.3184 6.3734 6.3734 6.5748 6.5748 6.9040 6.9040 7.3388 7.3388 7.4111 7.4111 7.4584 7.4584 7.5884 7.5884 7.8007 7.8007 7.9731 7.9731 8.2067 8.2067 8.3470 8.3470 8.6649 8.6649 8.8218 8.8218 11.1511 11.1511 11.4186 11.4186 14.2125 14.2125 17.3376 17.3376 18.5570 18.5570 k = 0.0000 0.3008-0.0000 ( 2674 PWs) bands (ev): 0.3043 0.3043 4.8232 4.8239 5.8435 5.8509 5.9566 5.9654 6.3085 6.3262 6.3679 6.3821 6.5749 6.5773 6.9030 6.9049 7.3275 7.3472 7.4056 7.4148 7.4549 7.4621 7.5873 7.5901 7.7941 7.8076 7.9664 7.9789 8.2068 8.2081 8.3383 8.3560 8.6571 8.6719 8.8152 8.8327 11.1077 11.1099 11.4570 11.4720 14.2108 14.2180 17.3330 17.3351 18.4480 18.4533 k = 0.0000 0.2914-0.0000 ( 2666 PWs) bands (ev): 0.3010 0.3010 4.8283 4.8298 5.8412 5.8558 5.9515 5.9688 6.2979 6.3294 6.3681 6.3926 6.5777 6.5825 6.9019 6.9058 7.3128 7.3534 7.3990 7.4165 7.4522 7.4648 7.5865 7.5925 7.7881 7.8147 7.9590 7.9835 8.2084 8.2108 8.3302 8.3647 8.6490 8.6777 8.8127 8.8480 11.0177 11.0271 11.5493 11.5744 14.2128 14.2273 17.3207 17.3252 18.2371 18.2442 k = 0.0000 0.2820-0.0000 ( 2662 PWs) bands (ev): 0.2955 0.2957 4.8370 4.8392 5.8397 5.8615 5.9461 5.9715 6.2870 6.3272 6.3745 6.4042 6.5830 6.5906 6.9008 6.9065 7.2945 7.3577 7.3918 7.4166 7.4505 7.4657 7.5856 7.5954 7.7827 7.8220 7.9513 7.9868 8.2115 8.2144 8.3231 8.3726 8.6412 8.6822 8.8139 8.8672 10.9167 10.9351 11.6600 11.6934 14.2185 14.2405 17.2980 17.3059 18.0051 18.0137 k = 0.0000 0.2726-0.0000 ( 2660 PWs) bands (ev): 0.2881 0.2882 4.8491 4.8519 5.8388 5.8675 5.9407 5.9734 6.2758 6.3220 6.3846 6.4168 6.5910 6.6021 6.8996 6.9071 7.2731 7.3606 7.3847 7.4152 7.4498 7.4647 7.5844 7.5984 7.7781 7.8293 7.9434 7.9887 8.2160 8.2184 8.3173 8.3791 8.6344 8.6857 8.8186 8.8897 10.8146 10.8430 11.7791 11.8201 14.2277 14.2574 17.2580 17.2710 17.7770 17.7886 k = 0.0000 0.2632-0.0000 ( 2662 PWs) bands (ev): 0.2786 0.2788 4.8644 4.8680 5.8385 5.8734 5.9356 5.9743 6.2644 6.3158 6.3959 6.4300 6.6021 6.6176 6.8985 6.9077 7.2491 7.3621 7.3781 7.4123 7.4502 7.4623 7.5827 7.6009 7.7744 7.8366 7.9358 7.9892 8.2214 8.2220 8.3132 8.3839 8.6290 8.6884 8.8262 8.9148 10.7147 10.7536 11.9036 11.9516 14.2403 14.2782 17.1826 17.2030 17.5767 17.5930 k = 0.0000 0.2538-0.0000 ( 2666 PWs) bands (ev): 0.2674 0.2676 4.8828 4.8869 5.8385 5.8785 5.9316 5.9745 6.2526 6.3094 6.4073 6.4439 6.6165 6.6376 6.8975 6.9081 7.2235 7.3624 7.3720 7.4074 7.4513 7.4595 7.5802 7.6024 7.7718 7.8438 7.9285 7.9886 8.2241 8.2271 8.3114 8.3869 8.6251 8.6904 8.8365 8.9417 10.6185 10.6683 12.0320 12.0869 14.2560 14.3026 17.0442 17.0696 17.4393 17.4574 k = 0.0000 0.2444-0.0000 ( 2668 PWs) bands (ev): 0.2545 0.2547 4.9039 4.9086 5.8387 5.8814 5.9297 5.9737 6.2406 6.3029 6.4179 6.4582 6.6346 6.6629 6.8967 6.9083 7.1972 7.3616 7.3662 7.4003 7.4534 7.4574 7.5769 7.6026 7.7704 7.8508 7.9217 7.9870 8.2234 8.2321 8.3128 8.3888 8.6228 8.6920 8.8490 8.9695 10.5270 10.5878 12.1638 12.2252 14.2745 14.3306 16.8475 16.8737 17.3636 17.3787 k = 0.0000 0.2350-0.0000 ( 2664 PWs) bands (ev): 0.2400 0.2403 4.9275 4.9327 5.8390 5.8813 5.9306 5.9723 6.2282 6.2963 6.4273 6.4727 6.6567 6.6941 6.8961 6.9084 7.1709 7.3599 7.3607 7.3909 7.4563 7.4564 7.5729 7.6015 7.7701 7.8575 7.9155 7.9848 8.2192 8.2351 8.3179 8.3906 8.6217 8.6934 8.8634 8.9975 10.4408 10.5129 12.2985 12.3663 14.2952 14.3617 16.6236 16.6513 17.3154 17.3275 k = 0.0000 0.2256-0.0000 ( 2666 PWs) bands (ev): 0.2243 0.2246 4.9533 4.9589 5.8392 5.8781 5.9343 5.9702 6.2153 6.2894 6.4353 6.4872 6.6831 6.7315 6.8958 6.9084 7.1453 7.3556 7.3571 7.3798 7.4569 7.4600 7.5681 7.5992 7.7710 7.8638 7.9098 7.9820 8.2110 8.2347 8.3263 8.3937 8.6216 8.6947 8.8789 9.0246 10.3606 10.4437 12.4358 12.5097 14.3175 14.3957 16.3912 16.4225 17.2765 17.2864 k = 0.0000 0.2162-0.0000 ( 2666 PWs) bands (ev): 0.2074 0.2077 4.9809 4.9868 5.8391 5.8726 5.9398 5.9676 6.2019 6.2821 6.4419 6.5016 6.7137 6.7752 6.8960 6.9081 7.1209 7.3508 7.3520 7.3692 7.4586 7.4646 7.5626 7.5958 7.7729 7.8696 7.9046 7.9790 8.1991 8.2296 8.3373 8.3994 8.6220 8.6960 8.8950 9.0500 10.2870 10.3807 12.5754 12.6551 14.3400 14.4316 16.1583 16.1955 17.2405 17.2490 k = 0.0000 0.2068-0.0000 ( 2660 PWs) bands (ev): 0.1895 0.1898 5.0100 5.0162 5.8387 5.8658 5.9459 5.9647 6.1880 6.2742 6.4473 6.5157 6.7483 6.8252 6.8970 6.9075 7.0982 7.3415 7.3464 7.3628 7.4613 7.4701 7.5567 7.5919 7.7757 7.8747 7.9000 7.9761 8.1839 8.2196 8.3503 8.4082 8.6228 8.6973 8.9111 9.0728 10.2207 10.3241 12.7169 12.8024 14.3609 14.4680 15.9298 15.9753 17.2054 17.2129 k = 0.0000 0.1974-0.0000 ( 2660 PWs) bands (ev): 0.1710 0.1713 5.0402 5.0467 5.8379 5.8582 5.9521 5.9615 6.1735 6.2654 6.4518 6.5297 6.7858 6.8808 6.8992 6.9065 7.0775 7.3265 7.3426 7.3607 7.4648 7.4763 7.5503 7.5876 7.7794 7.8788 7.8958 7.9734 8.1657 8.2050 8.3644 8.4199 8.6236 8.6986 8.9266 9.0922 10.1623 10.2739 12.8600 12.9511 14.3771 14.5023 15.7100 15.7666 17.1704 17.1772 k = 0.0000 0.1880-0.0000 ( 2658 PWs) bands (ev): 0.1518 0.1521 5.0714 5.0780 5.8367 5.8503 5.9579 5.9583 6.1586 6.2555 6.4558 6.5435 6.8238 6.9043 6.9051 6.9413 7.0595 7.3095 7.3395 7.3609 7.4689 7.4835 7.5440 7.5835 7.7839 7.8818 7.8919 7.9710 8.1447 8.1868 8.3795 8.4340 8.6245 8.7001 8.9408 9.1074 10.1121 10.2303 13.0043 13.1006 14.3835 14.5293 15.5053 15.5757 17.1353 17.1416 k = 0.0000 0.1786-0.0000 ( 2666 PWs) bands (ev): 0.1323 0.1326 5.1030 5.1098 5.8350 5.8422 5.9550 5.9630 6.1433 6.2444 6.4597 6.5573 6.8561 6.9033 6.9174 7.0024 7.0476 7.2917 7.3375 7.3628 7.4738 7.4914 7.5379 7.5798 7.7891 7.8834 7.8884 7.9691 8.1213 8.1661 8.3949 8.4497 8.6253 8.7017 8.9534 9.1180 10.0704 10.1929 13.1490 13.2501 14.3726 14.5385 15.3275 15.4115 17.1001 17.1061 k = 0.0000 0.1692-0.0000 ( 2662 PWs) bands (ev): 0.1127 0.1130 5.1350 5.1418 5.8331 5.8343 5.9518 5.9674 6.1276 6.2320 6.4638 6.5713 6.8744 6.9011 6.9452 7.0211 7.0833 7.2736 7.3371 7.3662 7.4799 7.5000 7.5333 7.5769 7.7950 7.8836 7.8853 7.9673 8.0960 8.1440 8.4106 8.4665 8.6260 8.7034 8.9641 9.1236 10.0371 10.1615 13.2929 13.3977 14.3353 14.5121 15.1959 15.2853 17.0651 17.0707 k = 0.0000 0.1598-0.0000 ( 2664 PWs) bands (ev): 0.0930 0.0933 5.1669 5.1739 5.8266 5.8309 5.9487 5.9711 6.1116 6.2182 6.4685 6.5855 6.8822 6.8985 6.9821 7.0114 7.1499 7.2557 7.3396 7.3706 7.4877 7.5073 7.5330 7.5752 7.8015 7.8821 7.8831 7.9651 8.0698 8.1219 8.4262 8.4839 8.6266 8.7053 8.9726 9.1245 10.0116 10.1356 13.4337 13.5390 14.2676 14.4342 15.1290 15.2057 17.0303 17.0359 k = 0.0000 0.1504-0.0000 ( 2672 PWs) bands (ev): 0.0736 0.0739 5.1984 5.2056 5.8193 5.8286 5.9459 5.9740 6.0955 6.2032 6.4739 6.6000 6.8862 6.8957 7.0014 7.0188 7.2129 7.2385 7.3476 7.3751 7.4979 7.5096 7.5432 7.5751 7.8081 7.8788 7.8830 7.9608 8.0446 8.1010 8.4415 8.5013 8.6272 8.7073 8.9790 9.1210 9.9933 10.1146 13.5653 13.6607 14.1835 14.3153 15.1225 15.1719 16.9962 17.0016 k = 0.0000 0.1410-0.0000 ( 2678 PWs) bands (ev): 0.0545 0.0548 5.2294 5.2368 5.8127 5.8264 5.9432 5.9760 6.0795 6.1871 6.4802 6.6149 6.8890 6.8928 6.9927 7.0501 7.2233 7.2602 7.3666 7.3788 7.5090 7.5100 7.5669 7.5775 7.8131 7.8736 7.8875 7.9514 8.0241 8.0827 8.4565 8.5186 8.6278 8.7094 8.9834 9.1138 9.9809 10.0977 13.6689 13.7206 14.1349 14.1952 15.1554 15.1747 16.9630 16.9683 k = 0.0000 0.1316-0.0000 ( 2678 PWs) bands (ev): 0.0359 0.0362 5.2596 5.2672 5.8068 5.8245 5.9407 5.9772 6.0636 6.1700 6.4877 6.6302 6.8900 6.8914 6.9851 7.0725 7.2113 7.2850 7.3807 7.3945 7.5096 7.5215 7.5840 7.6069 7.8144 7.8661 7.9005 7.9346 8.0120 8.0686 8.4711 8.5352 8.6287 8.7117 8.9860 9.1038 9.9730 10.0839 13.6647 13.6919 14.1437 14.1869 15.2028 15.2107 16.9310 16.9361 k = 0.0000 0.1222-0.0000 ( 2676 PWs) bands (ev): 0.0180 0.0183 5.2886 5.2966 5.8018 5.8231 5.9383 5.9775 6.0482 6.1522 6.4965 6.6460 6.8875 6.8936 6.9784 7.0837 7.2044 7.2962 7.3807 7.4167 7.5132 7.5282 7.5961 7.6650 7.8109 7.8565 7.9135 7.9237 8.0074 8.0611 8.4850 8.5509 8.6300 8.7140 8.9870 9.0920 9.9683 10.0724 13.5336 13.6002 14.2038 14.3073 15.2476 15.2792 16.9005 16.9054 k = 0.0000 0.1128-0.0000 ( 2676 PWs) bands (ev): 0.0009 0.0012 5.3162 5.3247 5.7980 5.8222 5.9362 5.9768 6.0334 6.1338 6.5066 6.6621 6.8855 6.8958 6.9725 7.0834 7.2030 7.3021 7.3790 7.4273 7.5191 7.5286 7.6120 7.7295 7.8038 7.8508 7.8941 7.9530 8.0070 8.0652 8.4983 8.5651 8.6321 8.7164 8.9867 9.0791 9.9654 10.0622 13.3775 13.4517 14.3222 14.4514 15.3036 15.3563 16.8718 16.8764 k = 0.0000 0.1034-0.0000 ( 2675 PWs) bands (ev): -0.0153 -0.0150 5.3422 5.3513 5.7956 5.8222 5.9343 5.9749 6.0196 6.1149 6.5181 6.6784 6.8839 6.8979 6.9671 7.0746 7.2051 7.3061 7.3762 7.4299 7.5239 7.5256 7.6284 7.7587 7.7949 7.8788 7.8844 7.9773 8.0093 8.0912 8.5109 8.5772 8.6355 8.7187 8.9853 9.0658 9.9629 10.0522 13.2153 13.2881 14.4599 14.6040 15.3668 15.4389 16.8452 16.8493 k = 0.0000 0.0940-0.0000 ( 2679 PWs) bands (ev): -0.0304 -0.0302 5.3664 5.3760 5.7947 5.8231 5.9326 5.9713 6.0073 6.0957 6.5310 6.6946 6.8829 6.9000 6.9623 7.0605 7.2084 7.3095 7.3728 7.4283 7.5154 7.5308 7.6434 7.7429 7.7853 7.8670 7.9606 7.9893 8.0175 8.1435 8.5229 8.5865 8.6407 8.7208 8.9832 9.0527 9.9598 10.0416 13.0548 13.1236 14.6040 14.7596 15.4344 15.5251 16.8210 16.8245 k = 0.0000 0.0846-0.0000 ( 2679 PWs) bands (ev): -0.0444 -0.0442 5.3885 5.3985 5.7955 5.8250 5.9312 5.9656 5.9974 6.0765 6.5454 6.7106 6.8824 6.9020 6.9579 7.0438 7.2113 7.3128 7.3694 7.4245 7.5044 7.5331 7.6567 7.7162 7.7758 7.8566 7.9944 8.0018 8.0756 8.2133 8.5345 8.5930 8.6480 8.7227 8.9807 9.0402 9.9551 10.0294 12.9002 12.9644 14.7496 14.9154 15.5043 15.6132 16.7995 16.8021 k = 0.0000 0.0752-0.0000 ( 2677 PWs) bands (ev): -0.0572 -0.0570 5.4085 5.4188 5.7984 5.8279 5.9300 5.9576 5.9898 6.0573 6.5613 6.7258 6.8825 6.9034 6.9540 7.0262 7.2136 7.3163 7.3663 7.4193 7.4917 7.5303 7.6686 7.6906 7.7667 7.8467 7.9972 8.0080 8.1724 8.2923 8.5457 8.5969 8.6569 8.7243 8.9779 9.0286 9.9482 10.0150 12.7545 12.8136 14.8939 15.0693 15.5746 15.7015 16.7811 16.7825 k = 0.0000 0.0658-0.0000 ( 2675 PWs) bands (ev): -0.0686 -0.0685 5.4261 5.4364 5.8033 5.8318 5.9291 5.9481 5.9842 6.0383 6.5786 6.7397 6.8828 6.9040 6.9507 7.0088 7.2154 7.3198 7.3638 7.4132 7.4784 7.5202 7.6716 7.6795 7.7581 7.8370 7.9995 8.0108 8.2714 8.3750 8.5572 8.5992 8.6669 8.7254 8.9750 9.0181 9.9385 9.9979 12.6202 12.6738 15.0347 15.2190 15.6435 15.7881 16.7657 16.7659 k = 0.0000 0.0564-0.0000 ( 2679 PWs) bands (ev): -0.0787 -0.0785 5.4413 5.4513 5.8103 5.8367 5.9283 5.9378 5.9795 6.0197 6.5973 6.7514 6.8832 6.9028 6.9482 6.9929 7.2177 7.3235 7.3618 7.4056 7.4655 7.5026 7.6613 7.6895 7.7504 7.8272 8.0017 8.0127 8.3661 8.4565 8.5702 8.6011 8.6774 8.7262 8.9723 9.0088 9.9261 9.9779 12.4993 12.5470 15.1698 15.3614 15.7101 15.8707 16.7521 16.7541 k = 0.0000 0.0470-0.0000 ( 2687 PWs) bands (ev): -0.0873 -0.0872 5.4542 5.4635 5.8194 5.8425 5.9275 5.9275 5.9753 6.0018 6.6173 6.7602 6.8835 6.8993 6.9465 6.9799 7.2212 7.3272 7.3602 7.3957 7.4535 7.4808 7.6583 7.6979 7.7441 7.8173 8.0039 8.0140 8.4499 8.5299 8.5882 8.6060 8.6884 8.7263 8.9699 9.0007 9.9112 9.9552 12.3940 12.4352 15.2969 15.4913 15.7741 15.9466 16.7416 16.7456 k = 0.0000 0.0376-0.0000 ( 2691 PWs) bands (ev): -0.0944 -0.0943 5.4649 5.4729 5.8304 5.8488 5.9176 5.9259 5.9713 5.9854 6.6383 6.7646 6.8834 6.8937 6.9459 6.9705 7.2271 7.3310 7.3587 7.3820 7.4433 7.4598 7.6603 7.7035 7.7407 7.8073 8.0062 8.0148 8.5110 8.5739 8.6196 8.6298 8.7015 8.7261 8.9680 8.9938 9.8950 9.9309 12.3059 12.3400 15.4131 15.6009 15.8381 16.0121 16.7345 16.7402 k = 0.0000 0.0282-0.0000 ( 2687 PWs) bands (ev): -0.1000 -0.0999 5.4733 5.4797 5.8429 5.8557 5.9082 5.9225 5.9675 5.9719 6.6602 6.7635 6.8830 6.8876 6.9464 6.9643 7.2365 7.3342 7.3572 7.3637 7.4351 7.4437 7.6652 7.7041 7.7423 7.7973 8.0084 8.0152 8.5432 8.5824 8.6669 8.6694 8.7220 8.7261 8.9670 8.9878 9.8792 9.9066 12.2368 12.2630 15.5156 15.6794 15.9060 16.0630 16.7304 16.7370 k = 0.0000 0.0188-0.0000 ( 2683 PWs) bands (ev): -0.1040 -0.1040 5.4796 5.4841 5.8565 5.8630 5.8996 5.9155 5.9631 5.9641 6.6825 6.7560 6.8820 6.8829 6.9479 6.9599 7.2497 7.3313 7.3473 7.3552 7.4293 7.4335 7.6717 7.7001 7.7486 7.7871 8.0104 8.0151 8.5588 8.5819 8.6915 8.7064 8.7337 8.7517 8.9672 8.9825 9.8663 9.8848 12.1878 12.2057 15.6013 15.7215 15.9764 16.0944 16.7292 16.7352 k = 0.0000 0.0094-0.0000 ( 2683 PWs) bands (ev): -0.1064 -0.1064 5.4839 5.4861 5.8694 5.8700 5.8927 5.9048 5.9594 5.9611 6.7043 6.7426 6.8806 6.8810 6.9503 6.9564 7.2671 7.3110 7.3467 7.3527 7.4261 7.4278 7.6789 7.6938 7.7572 7.7769 8.0121 8.0145 8.5680 8.5790 8.7023 8.7124 8.7610 8.7739 8.9692 8.9775 9.8589 9.8683 12.1600 12.1690 15.6673 15.7303 16.0389 16.1018 16.7300 16.7336 k = 0.0000 0.0000 0.0000 ( 2683 PWs) bands (ev): -0.1072 -0.1072 5.4860 5.4860 5.8750 5.8750 5.8938 5.8938 5.9592 5.9592 6.7248 6.7248 6.8802 6.8802 6.9532 6.9532 7.2879 7.2879 7.3497 7.3497 7.4256 7.4256 7.6865 7.6865 7.7668 7.7668 8.0134 8.0134 8.5744 8.5744 8.7088 8.7088 8.7774 8.7774 8.9729 8.9729 9.8593 9.8593 12.1537 12.1537 15.7111 15.7111 16.0828 16.0828 16.7318 16.7318 k = 0.0000 0.0000 0.0000 ( 2683 PWs) bands (ev): -0.1072 -0.1072 5.4860 5.4860 5.8750 5.8750 5.8938 5.8938 5.9592 5.9592 6.7248 6.7248 6.8802 6.8802 6.9532 6.9532 7.2879 7.2879 7.3497 7.3497 7.4256 7.4256 7.6865 7.6865 7.7668 7.7668 8.0134 8.0134 8.5744 8.5744 8.7088 8.7088 8.7774 8.7774 8.9729 8.9729 9.8593 9.8593 12.1537 12.1537 15.7111 15.7111 16.0828 16.0828 16.7318 16.7318 k = 0.0000 0.0000 0.0092 ( 2675 PWs) bands (ev): -0.1064 -0.1064 5.4862 5.4862 5.8735 5.8735 5.8947 5.8947 5.9591 5.9591 6.7221 6.7221 6.8805 6.8805 6.9532 6.9532 7.2863 7.2863 7.3503 7.3503 7.4257 7.4257 7.6863 7.6863 7.7663 7.7663 8.0101 8.0101 8.5740 8.5740 8.7079 8.7079 8.7829 8.7829 8.9633 8.9633 9.8765 9.8765 12.1538 12.1538 15.7026 15.7026 16.0716 16.0716 16.7320 16.7320 k = 0.0000 0.0000 0.0185 ( 2675 PWs) bands (ev): -0.1041 -0.1041 5.4864 5.4864 5.8696 5.8696 5.8969 5.8969 5.9586 5.9586 6.7138 6.7138 6.8810 6.8810 6.9531 6.9531 7.2816 7.2816 7.3516 7.3516 7.4262 7.4262 7.6855 7.6855 7.7648 7.7648 8.0005 8.0005 8.5726 8.5726 8.7043 8.7043 8.7987 8.7987 8.9378 8.9378 9.9254 9.9254 12.1545 12.1545 15.6775 15.6775 16.0390 16.0390 16.7328 16.7328 k = 0.0000 0.0000 0.0277 ( 2673 PWs) bands (ev): -0.1002 -0.1002 5.4865 5.4865 5.8633 5.8633 5.9001 5.9001 5.9582 5.9582 6.7004 6.7004 6.8819 6.8819 6.9530 6.9530 7.2741 7.2741 7.3535 7.3535 7.4269 7.4269 7.6843 7.6843 7.7623 7.7623 7.9859 7.9859 8.5700 8.5700 8.6967 8.6967 8.8203 8.8203 8.9072 8.9072 9.9997 9.9997 12.1558 12.1558 15.6366 15.6366 15.9878 15.9878 16.7349 16.7349 k = 0.0000 0.0000 0.0369 ( 2681 PWs) bands (ev): -0.0948 -0.0948 5.4862 5.4862 5.8547 5.8547 5.9037 5.9037 5.9581 5.9581 6.6827 6.6827 6.8829 6.8829 6.9528 6.9528 7.2645 7.2645 7.3553 7.3553 7.4279 7.4279 7.6824 7.6824 7.7588 7.7588 7.9678 7.9678 8.5655 8.5655 8.6831 8.6831 8.8249 8.8249 8.9011 8.9011 10.0926 10.0926 12.1583 12.1583 15.5814 15.5814 15.9221 15.9221 16.7390 16.7390 k = 0.0000 0.0000 0.0461 ( 2679 PWs) bands (ev): -0.0879 -0.0879 5.4849 5.4849 5.8439 5.8439 5.9080 5.9080 5.9588 5.9588 6.6615 6.6615 6.8841 6.8841 6.9524 6.9524 7.2529 7.2529 7.3571 7.3571 7.4294 7.4294 7.6800 7.6800 7.7544 7.7544 7.9482 7.9482 8.5587 8.5587 8.6613 8.6613 8.8008 8.8008 8.9369 8.9369 10.1984 10.1984 12.1625 12.1625 15.5133 15.5133 15.8462 15.8462 16.7458 16.7458 k = 0.0000 0.0000 0.0554 ( 2681 PWs) bands (ev): -0.0796 -0.0796 5.4818 5.4818 5.8310 5.8310 5.9128 5.9128 5.9606 5.9606 6.6377 6.6377 6.8851 6.8851 6.9518 6.9518 7.2397 7.2397 7.3587 7.3587 7.4311 7.4311 7.6767 7.6767 7.7493 7.7493 7.9283 7.9283 8.5481 8.5481 8.6312 8.6312 8.7762 8.7762 8.9894 8.9894 10.3123 10.3123 12.1694 12.1694 15.4337 15.4337 15.7644 15.7644 16.7556 16.7556 k = 0.0000 0.0000 0.0646 ( 2679 PWs) bands (ev): -0.0699 -0.0699 5.4758 5.4758 5.8167 5.8167 5.9181 5.9181 5.9637 5.9637 6.6125 6.6125 6.8861 6.8861 6.9509 6.9509 7.2251 7.2251 7.3602 7.3602 7.4333 7.4333 7.6727 7.6727 7.7436 7.7436 7.9092 7.9092 8.5303 8.5303 8.5983 8.5983 8.7583 8.7583 9.0502 9.0502 10.4307 10.4307 12.1801 12.1801 15.3439 15.3439 15.6804 15.6804 16.7686 16.7686 k = 0.0000 0.0000 0.0738 ( 2675 PWs) bands (ev): -0.0589 -0.0589 5.4655 5.4655 5.8023 5.8023 5.9239 5.9239 5.9680 5.9680 6.5868 6.5868 6.8869 6.8869 6.9496 6.9496 7.2092 7.2092 7.3618 7.3618 7.4359 7.4359 7.6678 7.6678 7.7377 7.7377 7.8916 7.8916 8.5005 8.5005 8.5711 8.5711 8.7455 8.7455 9.1167 9.1167 10.5499 10.5499 12.1963 12.1963 15.2451 15.2451 15.5975 15.5975 16.7847 16.7847 k = 0.0000 0.0000 0.0831 ( 2675 PWs) bands (ev): -0.0467 -0.0467 5.4493 5.4493 5.7892 5.7892 5.9301 5.9301 5.9735 5.9735 6.5615 6.5615 6.8874 6.8874 6.9475 6.9475 7.1923 7.1923 7.3634 7.3634 7.4389 7.4389 7.6620 7.6620 7.7319 7.7319 7.8758 7.8758 8.4602 8.4602 8.5513 8.5513 8.7360 8.7360 9.1876 9.1876 10.6667 10.6667 12.2199 12.2199 15.1384 15.1384 15.5182 15.5182 16.8038 16.8038 k = 0.0000 0.0000 0.0923 ( 2673 PWs) bands (ev): -0.0333 -0.0333 5.4260 5.4260 5.7790 5.7790 5.9369 5.9369 5.9803 5.9803 6.5374 6.5374 6.8873 6.8873 6.9447 6.9447 7.1750 7.1750 7.3654 7.3654 7.4424 7.4424 7.6556 7.6556 7.7263 7.7263 7.8618 7.8618 8.4152 8.4152 8.5344 8.5344 8.7285 8.7285 9.2621 9.2621 10.7775 10.7775 12.2531 12.2531 15.0251 15.0251 15.4442 15.4442 16.8257 16.8257 k = 0.0000 0.0000 0.1015 ( 2671 PWs) bands (ev): -0.0188 -0.0188 5.3947 5.3947 5.7727 5.7727 5.9441 5.9441 5.9881 5.9881 6.5150 6.5150 6.8863 6.8863 6.9411 6.9411 7.1578 7.1578 7.3678 7.3678 7.4465 7.4465 7.6487 7.6487 7.7211 7.7211 7.8495 7.8495 8.3690 8.3690 8.5178 8.5178 8.7223 8.7223 9.3397 9.3397 10.8792 10.8792 12.2982 12.2982 14.9069 14.9069 15.3768 15.3768 16.8501 16.8501 k = 0.0000 0.0000 0.1108 ( 2675 PWs) bands (ev): -0.0035 -0.0035 5.3557 5.3557 5.7708 5.7708 5.9518 5.9518 5.9968 5.9968 6.4946 6.4946 6.8837 6.8837 6.9368 6.9368 7.1415 7.1415 7.3706 7.3706 7.4510 7.4510 7.6416 7.6416 7.7164 7.7164 7.8386 7.8386 8.3231 8.3231 8.5004 8.5004 8.7172 8.7172 9.4198 9.4198 10.9685 10.9685 12.3574 12.3574 14.7849 14.7849 15.3167 15.3167 16.8766 16.8766 k = 0.0000 0.0000 0.1200 ( 2669 PWs) bands (ev): 0.0127 0.0127 5.3098 5.3098 5.7730 5.7730 5.9599 5.9599 6.0065 6.0065 6.4763 6.4763 6.8784 6.8784 6.9326 6.9326 7.1268 7.1268 7.3739 7.3739 7.4562 7.4562 7.6346 7.6346 7.7122 7.7122 7.8288 7.8288 8.2780 8.2780 8.4818 8.4818 8.7129 8.7129 9.5019 9.5019 11.0435 11.0435 12.4318 12.4318 14.6604 14.6604 15.2650 15.2650 16.9051 16.9051 k = 0.0000 0.0000 0.1292 ( 2669 PWs) bands (ev): 0.0295 0.0295 5.2584 5.2584 5.7788 5.7788 5.9684 5.9684 6.0169 6.0169 6.4602 6.4602 6.8693 6.8693 6.9292 6.9292 7.1144 7.1144 7.3776 7.3776 7.4620 7.4620 7.6279 7.6279 7.7084 7.7084 7.8199 7.8199 8.2338 8.2338 8.4619 8.4619 8.7093 8.7093 9.5858 9.5858 11.1031 11.1031 12.5214 12.5214 14.5346 14.5346 15.2223 15.2223 16.9350 16.9350 k = 0.0000 0.0000 0.1384 ( 2669 PWs) bands (ev): 0.0469 0.0469 5.2030 5.2030 5.7872 5.7872 5.9773 5.9773 6.0280 6.0280 6.4462 6.4462 6.8559 6.8559 6.9273 6.9273 7.1047 7.1047 7.3816 7.3816 7.4684 7.4684 7.6217 7.6217 7.7048 7.7048 7.8116 7.8116 8.1907 8.1907 8.4407 8.4407 8.7064 8.7064 9.6709 9.6709 11.1479 11.1479 12.6245 12.6245 14.4084 14.4084 15.1897 15.1897 16.9662 16.9662 k = 0.0000 0.0000 0.1477 ( 2673 PWs) bands (ev): 0.0646 0.0646 5.1449 5.1449 5.7977 5.7977 5.9865 5.9865 6.0396 6.0396 6.4340 6.4340 6.8383 6.8383 6.9268 6.9268 7.0978 7.0978 7.3859 7.3859 7.4754 7.4754 7.6161 7.6161 7.7015 7.7015 7.8037 7.8037 8.1487 8.1487 8.4184 8.4184 8.7038 8.7038 9.7570 9.7570 11.1793 11.1793 12.7382 12.7382 14.2827 14.2827 15.1685 15.1685 16.9983 16.9983 k = 0.0000 0.0000 0.1569 ( 2675 PWs) bands (ev): 0.0825 0.0825 5.0856 5.0856 5.8096 5.8096 5.9960 5.9960 6.0516 6.0516 6.4236 6.4236 6.8175 6.8175 6.9275 6.9275 7.0937 7.0937 7.3902 7.3902 7.4829 7.4829 7.6113 7.6113 7.6985 7.6985 7.7961 7.7961 8.1080 8.1080 8.3950 8.3950 8.7017 8.7017 9.8435 9.8435 11.1995 11.1995 12.8587 12.8587 14.1582 14.1582 15.1602 15.1602 17.0308 17.0308 k = 0.0000 0.0000 0.1661 ( 2665 PWs) bands (ev): 0.1004 0.1004 5.0261 5.0261 5.8225 5.8225 6.0058 6.0058 6.0639 6.0639 6.4148 6.4148 6.7944 6.7944 6.9289 6.9289 7.0924 7.0924 7.3947 7.3947 7.4908 7.4908 7.6074 7.6074 7.6956 7.6956 7.7886 7.7886 8.0688 8.0688 8.3708 8.3708 8.7000 8.7000 9.9302 9.9302 11.2109 11.2109 12.9817 12.9817 14.0359 14.0359 15.1664 15.1664 17.0635 17.0635 k = 0.0000 0.0000 0.1754 ( 2659 PWs) bands (ev): 0.1181 0.1181 4.9674 4.9674 5.8359 5.8359 6.0156 6.0156 6.0764 6.0764 6.4073 6.4073 6.7698 6.7698 6.9310 6.9310 7.0936 7.0936 7.3991 7.3991 7.4988 7.4988 7.6042 7.6042 7.6928 7.6928 7.7810 7.7810 8.0314 8.0314 8.3458 8.3458 8.6986 8.6986 10.0165 10.0165 11.2153 11.2153 13.1027 13.1027 13.9166 13.9166 15.1892 15.1892 17.0959 17.0959 k = 0.0000 0.0000 0.1846 ( 2667 PWs) bands (ev): 0.1354 0.1354 4.9104 4.9104 5.8494 5.8494 6.0254 6.0254 6.0889 6.0889 6.4009 6.4009 6.7443 6.7443 6.9332 6.9332 7.0971 7.0971 7.4032 7.4032 7.5065 7.5065 7.6020 7.6020 7.6898 7.6898 7.7728 7.7728 7.9965 7.9965 8.3203 8.3203 8.6974 8.6974 10.1019 10.1019 11.2147 11.2147 13.2172 13.2172 13.8016 13.8016 15.2308 15.2308 17.1276 17.1276 k = 0.0000 0.0000 0.1938 ( 2671 PWs) bands (ev): 0.1521 0.1521 4.8560 4.8560 5.8628 5.8628 6.0351 6.0351 6.1015 6.1015 6.3955 6.3955 6.7186 6.7186 6.9355 6.9355 7.1030 7.1030 7.4070 7.4070 7.5135 7.5135 7.6009 7.6009 7.6867 7.6867 7.7641 7.7641 7.9648 7.9648 8.2946 8.2946 8.6964 8.6964 10.1857 10.1857 11.2106 11.2106 13.3196 13.3196 13.6936 13.6936 15.2929 15.2929 17.1582 17.1582 k = 0.0000 0.0000 0.2031 ( 2668 PWs) bands (ev): 0.1681 0.1681 4.8047 4.8047 5.8757 5.8757 6.0446 6.0446 6.1138 6.1138 6.3910 6.3910 6.6932 6.6932 6.9378 6.9378 7.1112 7.1112 7.4106 7.4106 7.5192 7.5192 7.6009 7.6009 7.6831 7.6831 7.7547 7.7547 7.9372 7.9372 8.2689 8.2689 8.6956 8.6956 10.2673 10.2673 11.2042 11.2042 13.3996 13.3996 13.6010 13.6010 15.3768 15.3768 17.1873 17.1873 k = 0.0000 0.0000 0.2123 ( 2664 PWs) bands (ev): 0.1830 0.1830 4.7572 4.7572 5.8880 5.8880 6.0535 6.0535 6.1259 6.1259 6.3871 6.3871 6.6687 6.6687 6.9400 6.9400 7.1215 7.1215 7.4137 7.4137 7.5231 7.5231 7.6017 7.6017 7.6783 7.6783 7.7451 7.7451 7.9146 7.9146 8.2435 8.2435 8.6950 8.6950 10.3456 10.3456 11.1963 11.1963 13.4142 13.4142 13.5660 13.5660 15.4830 15.4830 17.2143 17.2143 k = 0.0000 0.0000 0.2215 ( 2672 PWs) bands (ev): 0.1968 0.1968 4.7141 4.7141 5.8993 5.8993 6.0618 6.0618 6.1376 6.1376 6.3838 6.3838 6.6453 6.6453 6.9420 6.9420 7.1338 7.1338 7.4165 7.4165 7.5248 7.5248 7.6027 7.6027 7.6717 7.6717 7.7363 7.7363 7.8975 7.8975 8.2186 8.2186 8.6944 8.6944 10.4198 10.4198 11.1879 11.1879 13.3489 13.3489 13.6039 13.6039 15.6106 15.6106 17.2389 17.2389 k = 0.0000 0.0000 0.2307 ( 2674 PWs) bands (ev): 0.2092 0.2092 4.6758 4.6758 5.9096 5.9096 6.0693 6.0693 6.1487 6.1487 6.3811 6.3811 6.6236 6.6236 6.9438 6.9438 7.1477 7.1477 7.4187 7.4187 7.5242 7.5242 7.6030 7.6030 7.6635 7.6635 7.7296 7.7296 7.8858 7.8858 8.1948 8.1948 8.6940 8.6940 10.4885 10.4885 11.1796 11.1796 13.2694 13.2694 13.6506 13.6506 15.7577 15.7577 17.2604 17.2604 k = 0.0000 0.0000 0.2400 ( 2674 PWs) bands (ev): 0.2200 0.2200 4.6427 4.6427 5.9187 5.9187 6.0759 6.0759 6.1591 6.1591 6.3788 6.3788 6.6041 6.6041 6.9452 6.9452 7.1627 7.1627 7.4204 7.4204 7.5211 7.5211 7.6016 7.6016 7.6550 7.6550 7.7254 7.7254 7.8791 7.8791 8.1724 8.1724 8.6937 8.6937 10.5505 10.5505 11.1718 11.1718 13.1947 13.1947 13.6901 13.6901 15.9215 15.9215 17.2781 17.2781 k = 0.0000 0.0000 0.2492 ( 2680 PWs) bands (ev): 0.2291 0.2291 4.6151 4.6151 5.9262 5.9262 6.0814 6.0814 6.1683 6.1683 6.3768 6.3768 6.5871 6.5871 6.9464 6.9464 7.1781 7.1781 7.4215 7.4215 7.5156 7.5156 7.5980 7.5980 7.6485 7.6485 7.7234 7.7234 7.8762 7.8762 8.1523 8.1523 8.6934 8.6934 10.6043 10.6043 11.1650 11.1650 13.1294 13.1294 13.7206 13.7206 16.0981 16.0981 17.2906 17.2906 k = 0.0000 0.0000 0.2584 ( 2678 PWs) bands (ev): 0.2363 0.2363 4.5934 4.5934 5.9323 5.9323 6.0858 6.0858 6.1762 6.1762 6.3753 6.3753 6.5733 6.5733 6.9473 6.9473 7.1927 7.1927 7.4219 7.4219 7.5084 7.5084 7.5932 7.5932 7.6447 7.6447 7.7226 7.7226 7.8760 7.8760 8.1351 8.1351 8.6932 8.6932 10.6484 10.6484 11.1594 11.1594 13.0761 13.0761 13.7430 13.7430 16.2823 16.2823 17.2950 17.2950 k = 0.0000 0.0000 0.2677 ( 2678 PWs) bands (ev): 0.2415 0.2415 4.5777 4.5777 5.9367 5.9367 6.0889 6.0889 6.1822 6.1822 6.3741 6.3741 6.5630 6.5630 6.9479 6.9479 7.2052 7.2052 7.4218 7.4218 7.5010 7.5010 7.5889 7.5889 7.6429 7.6429 7.7225 7.7225 7.8771 7.8771 8.1218 8.1218 8.6931 8.6931 10.6811 10.6811 11.1552 11.1552 13.0365 13.0365 13.7581 13.7581 16.4652 16.4652 17.2841 17.2841 k = 0.0000 0.0000 0.2769 ( 2682 PWs) bands (ev): 0.2447 0.2447 4.5682 4.5682 5.9394 5.9394 6.0908 6.0908 6.1860 6.1860 6.3733 6.3733 6.5566 6.5566 6.9483 6.9483 7.2136 7.2136 7.4213 7.4213 7.4954 7.4954 7.5861 7.5861 7.6422 7.6422 7.7226 7.7226 7.8785 7.8785 8.1132 8.1132 8.6930 8.6930 10.7014 10.7014 11.1526 11.1526 13.0122 13.0122 13.7668 13.7668 16.6243 16.6243 17.2443 17.2443 k = 0.0000 0.0000 0.2861 ( 2674 PWs) bands (ev): 0.2458 0.2458 4.5651 4.5651 5.9403 5.9403 6.0915 6.0915 6.1873 6.1873 6.3731 6.3731 6.5545 6.5545 6.9485 6.9485 7.2167 7.2167 7.4211 7.4211 7.4933 7.4933 7.5852 7.5852 7.6420 7.6420 7.7227 7.7227 7.8791 7.8791 8.1103 8.1103 8.6930 8.6930 10.7082 10.7082 11.1518 11.1518 13.0040 13.0040 13.7697 13.7697 16.6980 16.6980 17.2082 17.2082 k = 0.0000 0.0000 0.2861 ( 2674 PWs) bands (ev): 0.2458 0.2458 4.5651 4.5651 5.9403 5.9403 6.0915 6.0915 6.1873 6.1873 6.3731 6.3731 6.5545 6.5545 6.9485 6.9485 7.2167 7.2167 7.4211 7.4211 7.4933 7.4933 7.5852 7.5852 7.6420 7.6420 7.7227 7.7227 7.8791 7.8791 8.1103 8.1103 8.6930 8.6930 10.7082 10.7082 11.1518 11.1518 13.0040 13.0040 13.7697 13.7697 16.6980 16.6980 17.2082 17.2082 k = 0.0094-0.0000 0.2861 ( 2674 PWs) bands (ev): 0.2472 0.2472 4.5666 4.5667 5.9403 5.9424 6.0891 6.0948 6.1858 6.1893 6.3733 6.3745 6.5541 6.5553 6.9461 6.9511 7.2104 7.2189 7.4165 7.4226 7.4897 7.4942 7.5859 7.5865 7.6356 7.6470 7.7194 7.7290 7.8774 7.8811 8.1059 8.1171 8.6914 8.6931 10.7083 10.7115 11.1531 11.1531 13.0065 13.0074 13.7685 13.7719 16.6960 16.7016 17.1846 17.2135 k = 0.0189-0.0000 0.2861 ( 2674 PWs) bands (ev): 0.2514 0.2514 4.5714 4.5716 5.9420 5.9462 6.0874 6.0989 6.1848 6.1917 6.3751 6.3777 6.5541 6.5564 6.9440 6.9539 7.2000 7.2169 7.4087 7.4214 7.4842 7.4924 7.5887 7.5892 7.6279 7.6506 7.7191 7.7381 7.8762 7.8834 8.1040 8.1262 8.6881 8.6915 10.7117 10.7180 11.1571 11.1572 13.0149 13.0169 13.7683 13.7752 16.6945 16.7068 17.1407 17.1945 k = 0.0283-0.0000 0.2861 ( 2674 PWs) bands (ev): 0.2585 0.2585 4.5793 4.5797 5.9454 5.9518 6.0864 6.1036 6.1844 6.1946 6.3784 6.3827 6.5544 6.5579 6.9422 6.9568 7.1857 7.2109 7.3978 7.4182 7.4775 7.4887 7.5904 7.5938 7.6188 7.6529 7.7218 7.7491 7.8761 7.8863 8.1046 8.1374 8.6832 8.6883 10.7184 10.7277 11.1637 11.1638 13.0293 13.0322 13.7692 13.7797 16.6908 16.7136 17.0727 17.1351 k = 0.0377-0.0000 0.2861 ( 2674 PWs) bands (ev): 0.2684 0.2685 4.5904 4.5909 5.9505 5.9592 6.0859 6.1087 6.1848 6.1981 6.3832 6.3896 6.5551 6.5597 6.9409 6.9597 7.1680 7.2010 7.3844 7.4134 7.4703 7.4843 7.5909 7.5978 7.6089 7.6542 7.7275 7.7610 7.8775 7.8897 8.1079 8.1503 8.6769 8.6837 10.7285 10.7407 11.1730 11.1732 13.0496 13.0534 13.7710 13.7852 16.6778 16.7201 16.9837 17.0286 k = 0.0472-0.0000 0.2861 ( 2666 PWs) bands (ev): 0.2811 0.2812 4.6047 4.6053 5.9573 5.9683 6.0858 6.1140 6.1863 6.2022 6.3894 6.3986 6.5562 6.5619 6.9401 6.9624 7.1475 7.1874 7.3692 7.4075 7.4626 7.4798 7.5899 7.5938 7.6046 7.6545 7.7357 7.7719 7.8815 7.8941 8.1136 8.1649 8.6692 8.6776 10.7418 10.7567 11.1850 11.1852 13.0756 13.0803 13.7737 13.7918 16.6339 16.7173 16.8947 16.8966 k = 0.0566-0.0000 0.2861 ( 2662 PWs) bands (ev): 0.2967 0.2968 4.6220 4.6228 5.9654 5.9788 6.0860 6.1192 6.1893 6.2070 6.3968 6.4096 6.5575 6.5645 6.9397 6.9646 7.1248 7.1706 7.3528 7.4004 7.4546 7.4754 7.5813 7.5874 7.6061 7.6543 7.7455 7.7803 7.8891 7.8998 8.1217 8.1809 8.6604 8.6703 10.7583 10.7758 11.1996 11.1999 13.1074 13.1128 13.7773 13.7996 16.5277 16.6447 16.8063 16.8482 k = 0.0660-0.0000 0.2861 ( 2662 PWs) bands (ev): 0.3151 0.3152 4.6425 4.6435 5.9747 5.9905 6.0863 6.1237 6.1941 6.2128 6.4054 6.4227 6.5593 6.5673 6.9398 6.9655 7.1010 7.1509 7.3357 7.3921 7.4464 7.4710 7.5667 7.5836 7.6072 7.6537 7.7560 7.7850 7.9009 7.9073 8.1318 8.1979 8.6503 8.6617 10.7780 10.7978 11.2168 11.2172 13.1446 13.1508 13.7816 13.8084 16.3654 16.4718 16.8015 16.8376 k = 0.0755-0.0000 0.2861 ( 2664 PWs) bands (ev): 0.3363 0.3363 4.6660 4.6671 5.9848 6.0031 6.0866 6.1276 6.2008 6.2195 6.4150 6.4377 6.5613 6.5705 6.9403 6.9643 7.0776 7.1292 7.3182 7.3821 7.4384 7.4663 7.5511 7.5789 7.6076 7.6530 7.7660 7.7862 7.9163 7.9168 8.1441 8.2160 8.6394 8.6522 10.8008 10.8227 11.2367 11.2371 13.1873 13.1941 13.7865 13.8183 16.1720 16.2679 16.8165 16.8447 k = 0.0849-0.0000 0.2861 ( 2660 PWs) bands (ev): 0.3603 0.3603 4.6924 4.6938 5.9954 6.0161 6.0871 6.1310 6.2095 6.2272 6.4257 6.4549 6.5637 6.5740 6.9410 6.9590 7.0570 7.1062 7.3007 7.3702 7.4311 7.4609 7.5346 7.5733 7.6081 7.6526 7.7750 7.7847 7.9286 7.9343 8.1582 8.2349 8.6277 8.6419 10.8265 10.8503 11.2591 11.2596 13.2351 13.2425 13.7918 13.8292 15.9608 16.0507 16.8370 16.8600 k = 0.0943-0.0000 0.2861 ( 2662 PWs) bands (ev): 0.3871 0.3871 4.7217 4.7234 6.0058 6.0288 6.0880 6.1344 6.2199 6.2363 6.4372 6.4739 6.5664 6.5778 6.9416 6.9470 7.0421 7.0828 7.2831 7.3559 7.4246 7.4542 7.5179 7.5672 7.6089 7.6525 7.7814 7.7824 7.9426 7.9538 8.1738 8.2544 8.6153 8.6309 10.8552 10.8806 11.2842 11.2847 13.2880 13.2959 13.7973 13.8412 15.7381 15.8257 16.8603 16.8797 k = 0.1038-0.0000 0.2861 ( 2670 PWs) bands (ev): 0.4166 0.4167 4.7539 4.7559 6.0151 6.0401 6.0895 6.1386 6.2318 6.2465 6.4496 6.4949 6.5694 6.5818 6.9272 6.9414 7.0341 7.0605 7.2654 7.3395 7.4189 7.4457 7.5013 7.5606 7.6106 7.6529 7.7771 7.7883 7.9586 7.9739 8.1908 8.2744 8.6024 8.6195 10.8867 10.9134 11.3118 11.3124 13.3458 13.3541 13.8024 13.8541 15.5079 15.5961 16.8852 16.9021 k = 0.1132-0.0000 0.2861 ( 2670 PWs) bands (ev): 0.4490 0.4491 4.7888 4.7912 6.0226 6.0491 6.0924 6.1445 6.2451 6.2581 6.4626 6.5176 6.5728 6.5860 6.9015 6.9390 7.0318 7.0411 7.2478 7.3211 7.4140 7.4349 7.4856 7.5537 7.6136 7.6538 7.7725 7.7928 7.9762 7.9942 8.2091 8.2948 8.5893 8.6078 10.9209 10.9487 11.3419 11.3427 13.4082 13.4168 13.8067 13.8680 15.2726 15.3646 16.9109 16.9258 k = 0.1226-0.0000 0.2861 ( 2674 PWs) bands (ev): 0.4842 0.4842 4.8263 4.8292 6.0272 6.0547 6.0970 6.1525 6.2597 6.2712 6.4758 6.5418 6.5765 6.5904 6.8722 6.9325 7.0271 7.0327 7.2302 7.3010 7.4098 7.4215 7.4713 7.5465 7.6180 7.6551 7.7684 7.7964 7.9948 8.0143 8.2283 8.3155 8.5760 8.5960 10.9578 10.9864 11.3746 11.3755 13.4750 13.4838 13.8089 13.8827 15.0341 15.1337 16.9365 16.9499 k = 0.1321-0.0000 0.2861 ( 2670 PWs) bands (ev): 0.5221 0.5221 4.8664 4.8697 6.0288 6.0570 6.1033 6.1622 6.2757 6.2859 6.4890 6.5666 6.5813 6.5949 6.8412 6.9208 7.0203 7.0356 7.2126 7.2796 7.4059 7.4063 7.4584 7.5392 7.6240 7.6565 7.7656 7.7993 8.0143 8.0339 8.2483 8.3364 8.5628 8.5844 10.9972 11.0265 11.4098 11.4107 13.5460 13.5550 13.8072 13.8982 14.7939 14.9064 16.9611 16.9731 k = 0.1415-0.0000 0.2861 ( 2670 PWs) bands (ev): 0.5627 0.5627 4.9088 4.9128 6.0275 6.0560 6.1106 6.1726 6.2935 6.3022 6.5015 6.5824 6.5959 6.5995 6.8098 6.9050 7.0198 7.0396 7.1951 7.2572 7.3891 7.4033 7.4468 7.5319 7.6315 7.6575 7.7649 7.8020 8.0342 8.0530 8.2689 8.3574 8.5497 8.5732 11.0390 11.0688 11.4475 11.4484 13.6208 13.6300 13.7980 13.9141 14.5535 14.6875 16.9836 16.9944 k = 0.1509-0.0000 0.2861 ( 2670 PWs) bands (ev): 0.6061 0.6061 4.9535 4.9582 6.0240 6.0526 6.1179 6.1823 6.3132 6.3201 6.5126 6.5877 6.6042 6.6207 6.7793 6.8877 7.0237 7.0443 7.1776 7.2341 7.3719 7.4010 7.4361 7.5247 7.6404 7.6576 7.7671 7.8049 8.0542 8.0714 8.2896 8.3785 8.5369 8.5625 11.0832 11.1131 11.4876 11.4885 13.6987 13.7086 13.7743 13.9297 14.3144 14.4851 17.0027 17.0124 k = 0.1604-0.0000 0.2861 ( 2670 PWs) bands (ev): 0.6521 0.6521 5.0003 5.0059 6.0188 6.0473 6.1245 6.1902 6.3352 6.3396 6.5214 6.5924 6.6090 6.6429 6.7528 6.8713 7.0299 7.0491 7.1601 7.2111 7.3553 7.3994 7.4265 7.5176 7.6505 7.6563 7.7730 7.8084 8.0741 8.0889 8.3103 8.3995 8.5245 8.5528 11.1296 11.1596 11.5300 11.5309 13.7161 13.7851 13.7894 13.9395 14.0840 14.3145 17.0171 17.0257 k = 0.1698-0.0000 0.2861 ( 2672 PWs) bands (ev): 0.7009 0.7009 5.0490 5.0555 6.0122 6.0406 6.1299 6.1957 6.3593 6.3606 6.5267 6.5969 6.6139 6.6537 6.7386 6.8574 7.0372 7.0536 7.1428 7.1888 7.3399 7.3985 7.4183 7.5107 7.6538 7.6616 7.7828 7.8129 8.0938 8.1058 8.3304 8.4203 8.5127 8.5443 11.1782 11.2080 11.5746 11.5753 13.6155 13.8080 13.8693 13.8884 13.9824 14.1942 17.0251 17.0328 k = 0.1792-0.0000 0.2861 ( 2672 PWs) bands (ev): 0.7523 0.7523 5.0993 5.1071 6.0046 6.0326 6.1336 6.1986 6.3828 6.3851 6.5278 6.6002 6.6191 6.6442 6.7459 6.8470 7.0442 7.0568 7.1257 7.1687 7.3264 7.3984 7.4119 7.5041 7.6505 7.6733 7.7964 7.8189 8.1133 8.1220 8.3496 8.4409 8.5015 8.5376 11.2289 11.2583 11.6213 11.6218 13.4635 13.5877 13.9575 13.9681 13.9949 14.1278 17.0249 17.0319 k = 0.1887-0.0000 0.2861 ( 2664 PWs) bands (ev): 0.8063 0.8064 5.1511 5.1603 5.9961 6.0236 6.1356 6.1988 6.4059 6.4120 6.5245 6.5970 6.6245 6.6279 6.7663 6.8403 7.0498 7.0572 7.1095 7.1529 7.3152 7.3993 7.4082 7.4979 7.6469 7.6853 7.8136 7.8273 8.1325 8.1374 8.3670 8.4611 8.4912 8.5334 11.2815 11.3102 11.6697 11.6698 13.2792 13.3578 14.0097 14.0458 14.0615 14.1006 17.0147 17.0209 k = 0.1981-0.0000 0.2861 ( 2660 PWs) bands (ev): 0.8629 0.8630 5.2040 5.2149 5.9869 6.0138 6.1357 6.1964 6.4294 6.4382 6.5182 6.5766 6.6246 6.6300 6.7897 6.8367 7.0524 7.0529 7.0956 7.1439 7.3063 7.4012 7.4078 7.4921 7.6437 7.6972 7.8341 7.8383 8.1511 8.1521 8.3819 8.4771 8.4857 8.5324 11.3359 11.3638 11.7187 11.7194 13.0805 13.1309 14.0280 14.0790 14.1504 14.1554 16.9921 16.9977 k = 0.2075-0.0000 0.2861 ( 2660 PWs) bands (ev): 0.9221 0.9222 5.2578 5.2706 5.9771 6.0034 6.1340 6.1917 6.4529 6.4580 6.5147 6.5476 6.6291 6.6355 6.8118 6.8348 7.0439 7.0491 7.0866 7.1427 7.2997 7.4043 7.4116 7.4868 7.6413 7.7086 7.8527 7.8576 8.1661 8.1693 8.3932 8.4715 8.5022 8.5357 11.3919 11.4185 11.7674 11.7692 12.8786 12.9096 14.0456 14.0788 14.2456 14.2523 16.9551 16.9600 k = 0.2170-0.0000 0.2861 ( 2664 PWs) bands (ev): 0.9838 0.9840 5.3121 5.3272 5.9668 5.9922 6.1305 6.1848 6.4596 6.4749 6.5177 6.5267 6.6359 6.6409 6.8297 6.8331 7.0334 7.0391 7.0839 7.1474 7.2950 7.4089 7.4200 7.4820 7.6401 7.7193 7.8708 7.8838 8.1793 8.1869 8.4006 8.4640 8.5212 8.5436 11.4491 11.4739 11.8133 11.8170 12.6816 12.6973 14.0624 14.0813 14.3449 14.3517 16.9015 16.9056 k = 0.2264-0.0000 0.2861 ( 2654 PWs) bands (ev): 1.0479 1.0482 5.3665 5.3843 5.9561 5.9806 6.1253 6.1760 6.4456 6.4780 6.5056 6.5520 6.6439 6.6460 6.8301 6.8412 7.0255 7.0257 7.0850 7.1556 7.2923 7.4152 7.4331 7.4783 7.6406 7.7294 7.8927 7.9125 8.1919 8.2039 8.4043 8.4576 8.5401 8.5562 11.5067 11.5285 11.8506 11.8569 12.4993 12.5009 14.0776 14.0851 14.4467 14.4531 16.8304 16.8334 k = 0.2358-0.0000 0.2861 ( 2656 PWs) bands (ev): 1.1145 1.1149 5.4205 5.4415 5.9450 5.9685 6.1186 6.1655 6.4256 6.4495 6.5239 6.5816 6.6509 6.6529 6.8244 6.8441 7.0112 7.0233 7.0877 7.1651 7.2916 7.4235 7.4505 7.4759 7.6429 7.7391 7.9184 7.9436 8.2037 8.2202 8.4050 8.4524 8.5584 8.5725 11.5626 11.5787 11.8658 11.8738 12.3382 12.3506 14.0885 14.0906 14.5505 14.5564 16.7422 16.7438 k = 0.2453-0.0000 0.2861 ( 2654 PWs) bands (ev): 1.1835 1.1840 5.4736 5.4984 5.9338 5.9561 6.1104 6.1534 6.4032 6.4186 6.5434 6.6121 6.6556 6.6628 6.8155 6.8385 6.9967 7.0279 7.0913 7.1743 7.2934 7.4336 7.4715 7.4760 7.6471 7.7488 7.9476 7.9769 8.2150 8.2357 8.4038 8.4489 8.5762 8.5916 11.6079 11.6099 11.8398 11.8424 12.2465 12.2675 14.0899 14.1004 14.6561 14.6613 16.6391 16.6393 k = 0.2547-0.0000 0.2861 ( 2654 PWs) bands (ev): 1.2548 1.2554 5.5252 5.5545 5.9223 5.9434 6.1010 6.1400 6.3796 6.3877 6.5613 6.6426 6.6601 6.6736 6.8035 6.8266 6.9825 7.0381 7.0950 7.1819 7.2980 7.4440 7.4804 7.4952 7.6532 7.7590 7.9800 8.0120 8.2256 8.2501 8.4015 8.4474 8.5934 8.6130 11.5738 11.5947 11.7891 11.8202 12.2394 12.2595 14.0879 14.1058 14.7630 14.7675 16.5231 16.5254 k = 0.2642-0.0000 0.2861 ( 2658 PWs) bands (ev): 1.3284 1.3291 5.5747 5.6091 5.9109 5.9304 6.0903 6.1253 6.3556 6.3573 6.5771 6.6638 6.6728 6.6845 6.7889 6.8114 6.9689 7.0521 7.0983 7.1868 7.3055 7.4520 7.4924 7.5208 7.6613 7.7699 8.0150 8.0486 8.2358 8.2633 8.3987 8.4483 8.6100 8.6362 11.4501 11.4696 11.8133 11.8502 12.2796 12.2963 14.0808 14.1055 14.8709 14.8747 16.4009 16.4052 k = 0.2736-0.0000 0.2861 ( 2658 PWs) bands (ev): 1.4041 1.4049 5.6213 5.6616 5.8995 5.9173 6.0787 6.1095 6.3274 6.3314 6.5908 6.6680 6.6942 6.7013 6.7726 6.7967 6.9561 7.0685 7.1010 7.1886 7.3159 7.4571 7.5120 7.5476 7.6714 7.7821 8.0523 8.0862 8.2455 8.2749 8.3961 8.4524 8.6260 8.6609 11.2908 11.3020 11.8704 11.9052 12.3400 12.3540 14.0669 14.0978 14.9796 14.9826 16.2774 16.2835 k = 0.2830-0.0000 0.2861 ( 2662 PWs) bands (ev): 1.4819 1.4828 5.6641 5.7114 5.8883 5.9042 6.0663 6.0927 6.2982 6.3076 6.6024 6.6714 6.6991 6.7280 6.7555 6.7869 6.9445 7.0862 7.1030 7.1875 7.3286 7.4610 7.5368 7.5747 7.6833 7.7959 8.0913 8.1243 8.2549 8.2846 8.3939 8.4601 8.6415 8.6872 11.1226 11.1265 11.9361 11.9689 12.4106 12.4226 14.0444 14.0805 15.0886 15.0907 16.1575 16.1650 k = 0.2925-0.0000 0.2861 ( 2658 PWs) bands (ev): 1.5616 1.5627 5.7022 5.7575 5.8776 5.8910 6.0535 6.0749 6.2696 6.2843 6.6121 6.6738 6.6956 6.7377 6.7536 6.7870 6.9346 7.1047 7.1048 7.1840 7.3433 7.4650 7.5645 7.6015 7.6971 7.8116 8.1312 8.1618 8.2645 8.2922 8.3929 8.4722 8.6565 8.7153 10.9522 10.9546 12.0055 12.0368 12.4878 12.4981 14.0114 14.0517 15.1974 15.1985 16.0459 16.0539 k = 0.3019-0.0000 0.2861 ( 2658 PWs) bands (ev): 1.6432 1.6445 5.7344 5.7990 5.8678 5.8779 6.0404 6.0563 6.2417 6.2617 6.6195 6.6727 6.6841 6.7249 6.7744 6.7972 6.9271 7.1064 7.1229 7.1794 7.3592 7.4694 7.5933 7.6273 7.7129 7.8293 8.1712 8.1971 8.2748 8.2976 8.3936 8.4891 8.6712 8.7453 10.7824 10.7910 12.0774 12.1072 12.5698 12.5786 13.9659 14.0093 15.3054 15.3057 15.9463 15.9539 k = 0.3113-0.0000 0.2861 ( 2662 PWs) bands (ev): 1.7265 1.7279 5.7591 5.8346 5.8594 5.8653 6.0276 6.0370 6.2145 6.2398 6.6235 6.6645 6.6700 6.7195 6.7912 6.8139 6.9230 7.1086 7.1377 7.1769 7.3757 7.4742 7.6219 7.6516 7.7306 7.8492 8.2103 8.2276 8.2869 8.3010 8.3973 8.5107 8.6860 8.7777 10.6194 10.6339 12.1508 12.1794 12.6559 12.6630 13.9069 13.9517 15.4114 15.4118 15.8620 15.8680 k = 0.3208-0.0000 0.2861 ( 2664 PWs) bands (ev): 1.8113 1.8129 5.7748 5.8493 5.8529 5.8673 6.0157 6.0174 6.1881 6.2189 6.6206 6.6491 6.6599 6.7224 6.8029 6.8344 6.9232 7.1116 7.1420 7.1841 7.3925 7.4793 7.6492 7.6740 7.7500 7.8710 8.2478 8.2506 8.3014 8.3028 8.4060 8.5367 8.7016 8.8127 10.4643 10.4852 12.2256 12.2529 12.7454 12.7505 13.8337 13.8780 15.5150 15.5152 15.7949 15.7987 k = 0.3302-0.0000 0.2861 ( 2668 PWs) bands (ev): 1.8975 1.8994 5.7808 5.8377 5.8480 5.8877 5.9983 6.0056 6.1625 6.1988 6.6082 6.6300 6.6581 6.7306 6.8092 6.8572 6.9278 7.1160 7.1363 7.2008 7.4091 7.4848 7.6745 7.6946 7.7706 7.8942 8.2656 8.2828 8.3032 8.3166 8.4212 8.5654 8.7194 8.8509 10.3184 10.3461 12.3012 12.3271 12.8377 12.8404 13.7471 13.7888 15.6115 15.6153 15.7459 15.7500 k = 0.3396-0.0000 0.2861 ( 2670 PWs) bands (ev): 1.9849 1.9869 5.7788 5.8252 5.8423 5.8986 5.9820 5.9979 6.1379 6.1796 6.5907 6.6094 6.6607 6.7418 6.8112 6.8814 6.9361 7.1220 7.1268 7.2208 7.4254 7.4904 7.6976 7.7133 7.7915 7.9181 8.2753 8.3023 8.3152 8.3296 8.4431 8.5942 8.7415 8.8925 10.1828 10.2183 12.3775 12.4017 12.9309 12.9322 13.6494 13.6858 15.6699 15.7033 15.7223 15.7510 k = 0.3491-0.0000 0.2861 ( 2670 PWs) bands (ev): 2.0732 2.0754 5.7713 5.8127 5.8331 5.8955 5.9720 5.9928 6.1143 6.1610 6.5719 6.5884 6.6647 6.7547 6.8107 6.9062 6.9466 7.1164 7.1297 7.2418 7.4411 7.4961 7.7188 7.7305 7.8115 7.9418 8.2815 8.3009 8.3407 8.3448 8.4691 8.6194 8.7705 8.9373 10.0588 10.1031 12.4539 12.4758 13.0187 13.0269 13.5460 13.5726 15.6639 15.6958 15.8047 15.8260 k = 0.3585-0.0000 0.2861 ( 2670 PWs) bands (ev): 2.1621 2.1646 5.7596 5.8002 5.8197 5.8785 5.9683 5.9897 6.0918 6.1430 6.5531 6.5676 6.6691 6.7675 6.8101 6.9306 6.9586 7.1062 7.1391 7.2629 7.4560 7.5018 7.7385 7.7464 7.8294 7.9645 8.2850 8.2989 8.3518 8.3721 8.4964 8.6383 8.8072 8.9849 9.9479 10.0024 12.5299 12.5486 13.0927 13.1160 13.4505 13.4576 15.6555 15.6936 15.8889 15.9094 k = 0.3679-0.0000 0.2861 ( 2674 PWs) bands (ev): 2.2512 2.2540 5.7437 5.7874 5.8036 5.8528 5.9669 5.9876 6.0705 6.1255 6.5349 6.5473 6.6733 6.7768 6.8123 6.9533 6.9715 7.0972 7.1500 7.2836 7.4702 7.5074 7.7569 7.7610 7.8443 7.9853 8.2863 8.2963 8.3644 8.3973 8.5231 8.6507 8.8498 9.0339 9.8521 9.9180 12.6044 12.6178 13.1164 13.1673 13.3758 13.4030 15.6553 15.7026 15.9648 15.9870 k = 0.3774-0.0000 0.2861 ( 2686 PWs) bands (ev): 2.3403 2.3433 5.7220 5.7730 5.7874 5.8229 5.9647 5.9858 6.0504 6.1084 6.5174 6.5279 6.6774 6.7797 6.8200 6.9727 6.9853 7.0908 7.1624 7.3037 7.4835 7.5128 7.7744 7.7747 7.8555 8.0035 8.2857 8.2934 8.3790 8.4209 8.5479 8.6578 8.8946 9.0816 9.7741 9.8522 12.6747 12.6776 13.0588 13.1059 13.4062 13.4418 15.6631 15.7208 16.0308 16.0555 k = 0.3868-0.0000 0.2861 ( 2686 PWs) bands (ev): 2.4288 2.4320 5.6937 5.7530 5.7732 5.7944 5.9613 5.9839 6.0320 6.0919 6.5010 6.5095 6.6814 6.7777 6.8313 6.9865 7.0000 7.0888 7.1760 7.3229 7.4960 7.5182 7.7876 7.7912 7.8631 8.0184 8.2839 8.2903 8.3957 8.4431 8.5707 8.6614 8.9374 9.1239 9.7183 9.8074 12.7085 12.7316 12.9801 12.9939 13.4975 13.5273 15.6771 15.7463 16.0851 16.1127 k = 0.3962-0.0000 0.2861 ( 2682 PWs) bands (ev): 2.5162 2.5196 5.6594 5.7213 5.7613 5.7743 5.9569 5.9816 6.0151 6.0760 6.4856 6.4924 6.6851 6.7737 6.8430 6.9928 7.0156 7.0926 7.1907 7.3409 7.5075 7.5234 7.7996 7.8072 7.8672 8.0296 8.2812 8.2869 8.4141 8.4641 8.5909 8.6624 8.9744 9.1548 9.6898 9.7859 12.6662 12.7281 12.9262 12.9565 13.6025 13.6284 15.6959 15.7772 16.1267 16.1570 k = 0.4057-0.0000 0.2861 ( 2682 PWs) bands (ev): 2.6018 2.6054 5.6204 5.6799 5.7513 5.7611 5.9517 5.9788 5.9999 6.0610 6.4715 6.4766 6.6887 6.7688 6.8537 6.9924 7.0317 7.1012 7.2065 7.3574 7.5181 7.5284 7.8107 7.8226 7.8683 8.0366 8.2780 8.2835 8.4334 8.4839 8.6086 8.6617 9.0030 9.1696 9.6926 9.7885 12.5566 12.6226 12.9539 12.9918 13.7121 13.7357 15.7180 15.8115 16.1550 16.1876 k = 0.4151-0.0000 0.2861 ( 2682 PWs) bands (ev): 2.6849 2.6886 5.5783 5.6336 5.7428 5.7510 5.9461 5.9753 5.9868 6.0469 6.4585 6.4623 6.6921 6.7636 6.8630 6.9875 7.0478 7.1120 7.2230 7.3719 7.5277 7.5335 7.8210 7.8374 7.8674 8.0396 8.2746 8.2800 8.4533 8.5023 8.6238 8.6602 9.0224 9.1682 9.7256 9.8144 12.4227 12.4830 13.0121 13.0467 13.8233 13.8456 15.7419 15.8476 16.1705 16.2045 k = 0.4245-0.0000 0.2861 ( 2678 PWs) bands (ev): 2.7645 2.7684 5.5343 5.5847 5.7354 5.7426 5.9406 5.9690 5.9779 6.0339 6.4468 6.4496 6.6954 6.7583 6.8710 6.9802 7.0634 7.1229 7.2404 7.3840 7.5364 7.5386 7.8303 7.8516 7.8652 8.0386 8.2711 8.2764 8.4731 8.5193 8.6366 8.6586 9.0337 9.1556 9.7824 9.8605 12.2822 12.3371 13.0744 13.1053 13.9345 13.9559 15.7666 15.8835 16.1749 16.2086 k = 0.4340-0.0000 0.2861 ( 2678 PWs) bands (ev): 2.8397 2.8436 5.4901 5.5351 5.7291 5.7353 5.9353 5.9596 5.9737 6.0221 6.4364 6.4383 6.6986 6.7531 6.8779 6.9719 7.0781 7.1325 7.2583 7.3933 7.5437 7.5442 7.8386 7.8626 7.8653 8.0340 8.2678 8.2730 8.4922 8.5347 8.6469 8.6572 9.0391 9.1376 9.8552 9.9223 12.1415 12.1917 13.1351 13.1625 14.0441 14.0648 15.7912 15.9168 16.1709 16.2019 k = 0.4434-0.0000 0.2861 ( 2670 PWs) bands (ev): 2.9093 2.9130 5.4470 5.4864 5.7238 5.7291 5.9306 5.9504 5.9712 6.0115 6.4274 6.4287 6.7018 6.7480 6.8841 6.9632 7.0916 7.1402 7.2765 7.3995 7.5490 7.5509 7.8457 7.8602 7.8783 8.0264 8.2649 8.2697 8.5103 8.5483 8.6550 8.6564 9.0409 9.1184 9.9376 9.9949 12.0043 12.0502 13.1917 13.2158 14.1501 14.1700 15.8150 15.9447 16.1623 16.1867 k = 0.4528-0.0000 0.2861 ( 2670 PWs) bands (ev): 2.9719 2.9754 5.4069 5.4402 5.7193 5.7237 5.9265 5.9422 5.9694 6.0021 6.4197 6.4204 6.7049 6.7431 6.8898 6.9546 7.1037 7.1457 7.2946 7.4025 7.5541 7.5566 7.8516 7.8585 7.8909 8.0163 8.2622 8.2665 8.5269 8.5598 8.6564 8.6609 9.0409 9.1004 10.0245 10.0732 11.8739 11.9153 13.2429 13.2634 14.2502 14.2691 15.8379 15.9642 16.1528 16.1659 k = 0.4623-0.0000 0.2861 ( 2666 PWs) bands (ev): 3.0261 3.0291 5.3714 5.3984 5.7158 5.7193 5.9233 5.9353 5.9685 5.9939 6.4133 6.4138 6.7081 6.7384 6.8952 6.9463 7.1144 7.1490 7.3125 7.4023 7.5588 7.5613 7.8562 7.8579 7.9032 8.0046 8.2601 8.2638 8.5417 8.5690 8.6572 8.6648 9.0404 9.0846 10.1113 10.1520 11.7542 11.7906 13.2872 13.3041 14.3414 14.3587 15.8599 15.9729 16.1427 16.1449 k = 0.4717-0.0000 0.2861 ( 2664 PWs) bands (ev): 3.0704 3.0729 5.3422 5.3627 5.7131 5.7157 5.9210 5.9297 5.9682 5.9870 6.4083 6.4085 6.7113 6.7338 6.9005 6.9384 7.1237 7.1503 7.3296 7.3990 7.5629 7.5650 7.8582 7.8595 7.9153 7.9919 8.2585 8.2614 8.5544 8.5756 8.6586 8.6669 9.0403 9.0714 10.1925 10.2252 11.6501 11.6803 13.3236 13.3365 14.4200 14.4347 15.8814 15.9717 16.1205 16.1371 k = 0.4811-0.0000 0.2861 ( 2664 PWs) bands (ev): 3.1034 3.1052 5.3210 5.3348 5.7113 5.7130 5.9196 5.9253 5.9688 5.9811 6.4047 6.4048 6.7146 6.7296 6.9060 6.9310 7.1316 7.1497 7.3456 7.3928 7.5661 7.5675 7.8592 7.8613 7.9274 7.9786 8.2575 8.2595 8.5648 8.5793 8.6606 8.6674 9.0411 9.0608 10.2618 10.2852 11.5685 11.5906 13.3511 13.3598 14.4819 14.4927 15.9023 15.9640 16.1033 16.1260 k = 0.4906-0.0000 0.2861 ( 2664 PWs) bands (ev): 3.1240 3.1249 5.3091 5.3161 5.7103 5.7112 5.9193 5.9221 5.9704 5.9765 6.4026 6.4026 6.7181 6.7255 6.9116 6.9241 7.1383 7.1474 7.3602 7.3841 7.5682 7.5689 7.8605 7.8620 7.9397 7.9653 8.2571 8.2581 8.5726 8.5800 8.6628 8.6666 9.0432 9.0528 10.3112 10.3236 11.5172 11.5290 13.3688 13.3732 14.5226 14.5284 15.9220 15.9528 16.0953 16.1113 k = 0.5000-0.0000 0.2861 ( 2664 PWs) bands (ev): 3.1312 3.1312 5.3074 5.3074 5.7103 5.7103 5.9201 5.9201 5.9729 5.9729 6.4019 6.4019 6.7217 6.7217 6.9177 6.9177 7.1435 7.1435 7.3731 7.3731 7.5692 7.5692 7.8616 7.8616 7.9523 7.9523 8.2573 8.2573 8.5778 8.5778 8.6650 8.6650 9.0470 9.0470 10.3331 10.3331 11.5033 11.5033 13.3763 13.3763 14.5387 14.5387 15.9390 15.9390 16.0988 16.0988 k = 0.5000-0.0000 0.2861 ( 2664 PWs) bands (ev): 3.1312 3.1312 5.3074 5.3074 5.7103 5.7103 5.9201 5.9201 5.9729 5.9729 6.4019 6.4019 6.7217 6.7217 6.9177 6.9177 7.1435 7.1435 7.3731 7.3731 7.5692 7.5692 7.8616 7.8616 7.9523 7.9523 8.2573 8.2573 8.5778 8.5778 8.6650 8.6650 9.0470 9.0470 10.3331 10.3331 11.5033 11.5033 13.3763 13.3763 14.5387 14.5387 15.9390 15.9390 16.0988 16.0988 k = 0.5000 0.0094 0.2861 ( 2664 PWs) bands (ev): 3.1306 3.1310 5.3076 5.3094 5.7103 5.7130 5.9184 5.9221 5.9702 5.9755 6.3998 6.4014 6.7145 6.7218 6.9105 6.9137 7.1533 7.1540 7.3698 7.3813 7.5677 7.5738 7.8602 7.8627 7.9514 7.9528 8.2548 8.2566 8.5773 8.5782 8.6643 8.6657 9.0409 9.0509 10.3293 10.3333 11.5034 11.5039 13.3344 13.3794 14.5283 14.5856 15.8621 15.9255 16.1021 16.1692 k = 0.5000 0.0188 0.2861 ( 2660 PWs) bands (ev): 3.1293 3.1301 5.3102 5.3137 5.7131 5.7186 5.9169 5.9245 5.9674 5.9779 6.3951 6.3986 6.7012 6.7142 6.8949 6.9020 7.1799 7.1813 7.3705 7.3944 7.5695 7.5818 7.8585 7.8638 7.9501 7.9529 8.2493 8.2528 8.5769 8.5786 8.6635 8.6663 9.0326 9.0526 10.3219 10.3299 11.5042 11.5053 13.2612 13.3430 14.5549 14.6614 15.7633 15.8359 16.1646 16.2442 k = 0.5000 0.0282 0.2861 ( 2664 PWs) bands (ev): 3.1272 3.1283 5.3149 5.3202 5.7182 5.7268 5.9156 5.9272 5.9643 5.9803 6.3875 6.3938 6.6828 6.6992 6.8764 6.8885 7.2174 7.2198 7.3739 7.4114 7.5754 7.5934 7.8564 7.8651 7.9486 7.9525 8.2407 8.2460 8.5765 8.5790 8.6627 8.6668 9.0221 9.0520 10.3109 10.3230 11.5058 11.5074 13.1657 13.2737 14.6112 14.7561 15.6580 15.7307 16.2245 16.3069 k = 0.5000 0.0376 0.2861 ( 2668 PWs) bands (ev): 3.1243 3.1259 5.3218 5.3289 5.7255 5.7376 5.9146 5.9306 5.9609 5.9826 6.3772 6.3872 6.6604 6.6777 6.8590 6.8766 7.2609 7.2649 7.3783 7.4309 7.5866 7.6090 7.8541 7.8669 7.9470 7.9517 8.2291 8.2362 8.5761 8.5794 8.6619 8.6671 9.0095 9.0491 10.2962 10.3124 11.5081 11.5102 13.0560 13.1810 14.6864 14.8604 15.5508 15.6212 16.2684 16.3512 k = 0.5000 0.0470 0.2861 ( 2672 PWs) bands (ev): 3.1208 3.1227 5.3309 5.3398 5.7346 5.7508 5.9139 5.9346 5.9571 5.9849 6.3644 6.3791 6.6353 6.6519 6.8450 6.8679 7.3069 7.3135 7.3825 7.4511 7.6050 7.6287 7.8514 7.8698 7.9456 7.9506 8.2146 8.2235 8.5758 8.5797 8.6612 8.6672 8.9947 9.0440 10.2778 10.2982 11.5113 11.5140 12.9374 13.0733 14.7706 14.9657 15.4451 15.5113 16.2909 16.3731 k = 0.5000 0.0564 0.2861 ( 2676 PWs) bands (ev): 3.1166 3.1188 5.3420 5.3529 5.7449 5.7660 5.9139 5.9394 5.9528 5.9873 6.3498 6.3701 6.6084 6.6236 6.8354 6.8623 7.3515 7.3634 7.3857 7.4719 7.6315 7.6519 7.8487 7.8743 7.9449 7.9494 8.1975 8.2081 8.5755 8.5800 8.6603 8.6672 8.9778 9.0367 10.2557 10.2803 11.5153 11.5185 12.8137 12.9565 14.8549 15.0610 15.3472 15.4038 16.2888 16.3701 k = 0.5000 0.0658 0.2861 ( 2684 PWs) bands (ev): 3.1118 3.1143 5.3552 5.3680 5.7558 5.7824 5.9149 5.9449 5.9480 5.9902 6.3339 6.3604 6.5809 6.5945 6.8300 6.8597 7.3862 7.3893 7.4137 7.4966 7.6661 7.6776 7.8462 7.8813 7.9458 7.9482 8.1780 8.1901 8.5754 8.5803 8.6596 8.6668 8.9588 9.0271 10.2297 10.2587 11.5202 11.5241 12.6874 12.8347 14.9305 15.1144 15.2849 15.3027 16.2613 16.3414 k = 0.5000 0.0752 0.2861 ( 2680 PWs) bands (ev): 3.1065 3.1093 5.3703 5.3852 5.7664 5.7988 5.9179 5.9428 5.9504 5.9946 6.3177 6.3507 6.5537 6.5660 6.8290 6.8600 7.3858 7.4148 7.4609 7.5297 7.7043 7.7074 7.8445 7.8916 7.9476 7.9496 8.1565 8.1698 8.5753 8.5807 8.6588 8.6663 8.9378 9.0153 10.1999 10.2334 11.5261 11.5306 12.5603 12.7104 14.9822 15.0699 15.2197 15.3097 16.2095 16.2880 k = 0.5000 0.0846 0.2861 ( 2688 PWs) bands (ev): 3.1007 3.1038 5.3871 5.4042 5.7759 5.8135 5.9230 5.9382 5.9542 6.0022 6.3022 6.3413 6.5274 6.5387 6.8317 6.8627 7.3836 7.4284 7.5038 7.5701 7.7299 7.7531 7.8443 7.9055 7.9480 7.9583 8.1336 8.1473 8.5753 8.5811 8.6580 8.6654 8.9148 9.0014 10.1663 10.2043 11.5330 11.5382 12.4336 12.5856 14.9770 14.9815 15.1850 15.3644 16.1366 16.2128 k = 0.5000 0.0940 0.2861 ( 2692 PWs) bands (ev): 3.0945 3.0978 5.4056 5.4249 5.7837 5.8245 5.9238 5.9424 5.9547 6.0150 6.2884 6.3328 6.5026 6.5134 6.8378 6.8680 7.3799 7.4343 7.5400 7.6119 7.7522 7.8003 7.8482 7.9229 7.9508 7.9748 8.1106 8.1233 8.5754 8.5816 8.6571 8.6641 8.8901 8.9854 10.1288 10.1716 11.5411 11.5471 12.3082 12.4613 14.8870 14.9114 15.2004 15.4090 16.0466 16.1198 k = 0.5000 0.1034 0.2861 ( 2696 PWs) bands (ev): 3.0880 3.0915 5.4255 5.4473 5.7893 5.8306 5.9173 5.9512 5.9594 6.0332 6.2772 6.3255 6.4799 6.4905 6.8468 6.8756 7.3750 7.4360 7.5681 7.6493 7.7689 7.8361 7.8673 7.9429 7.9586 8.0000 8.0903 8.0984 8.5756 8.5823 8.6562 8.6622 8.8638 8.9674 10.0875 10.1353 11.5505 11.5572 12.1848 12.3386 14.7933 14.8250 15.2256 15.4360 15.9434 16.0134 k = 0.5000 0.1128 0.2861 ( 2696 PWs) bands (ev): 3.0812 3.0848 5.4466 5.4710 5.7925 5.8321 5.9089 5.9444 5.9833 6.0561 6.2693 6.3197 6.4596 6.4705 6.8583 6.8852 7.3692 7.4351 7.5877 7.6777 7.7783 7.8500 7.9073 7.9621 7.9770 8.0304 8.0741 8.0809 8.5758 8.5832 8.6552 8.6595 8.8364 8.9477 10.0425 10.0956 11.5612 11.5687 12.0637 12.2178 14.7025 14.7349 15.2437 15.4450 15.8304 15.8970 k = 0.5000 0.1222 0.2861 ( 2696 PWs) bands (ev): 3.0742 3.0780 5.4685 5.4958 5.7934 5.8302 5.8997 5.9349 6.0117 6.0825 6.2653 6.3158 6.4421 6.4535 6.8719 6.8966 7.3627 7.4325 7.5997 7.6951 7.7800 7.8584 7.9415 7.9691 8.0131 8.0545 8.0585 8.1005 8.5759 8.5844 8.6543 8.6554 8.8084 8.9265 9.9940 10.0528 11.5733 11.5816 11.9455 12.0994 14.6154 14.6461 15.2507 15.4376 15.7106 15.7739 k = 0.5000 0.1316 0.2861 ( 2704 PWs) bands (ev): 3.0671 3.0710 5.4909 5.5212 5.7923 5.8259 5.8903 5.9236 6.0429 6.1110 6.2652 6.3137 6.4280 6.4398 6.8870 6.9096 7.3559 7.4287 7.6055 7.7029 7.7746 7.8615 7.9586 7.9596 8.0503 8.0633 8.0917 8.1438 8.5760 8.5858 8.6492 8.6534 8.7809 8.9041 9.9424 10.0073 11.5870 11.5962 11.8302 11.9837 14.5324 14.5602 15.2468 15.4165 15.5863 15.6465 k = 0.5000 0.1410 0.2861 ( 2696 PWs) bands (ev): 3.0600 3.0639 5.5133 5.5469 5.7895 5.8200 5.8815 5.9113 6.0756 6.1404 6.2689 6.3137 6.4183 6.4301 6.9034 6.9241 7.3491 7.4239 7.6069 7.7041 7.7629 7.8581 7.9406 7.9569 8.0729 8.1191 8.1323 8.1959 8.5758 8.5876 8.6395 8.6529 8.7558 8.8811 9.8879 9.9597 11.6022 11.6124 11.7181 11.8707 14.4538 14.4779 15.2330 15.3835 15.4594 15.5177 k = 0.5000 0.1504 0.2861 ( 2700 PWs) bands (ev): 3.0529 3.0567 5.5350 5.5720 5.7852 5.8129 5.8739 5.8990 6.1084 6.1690 6.2758 6.3156 6.4142 6.4245 6.9205 6.9397 7.3425 7.4180 7.6047 7.7011 7.7454 7.8471 7.9222 7.9456 8.1118 8.1757 8.1759 8.2512 8.5751 8.5893 8.6249 8.6532 8.7352 8.8578 9.8312 9.9107 11.6059 11.6221 11.6304 11.7605 14.3798 14.3997 15.2107 15.3318 15.3349 15.3956 k = 0.5000 0.1598 0.2861 ( 2696 PWs) bands (ev): 3.0458 3.0497 5.5552 5.5958 5.7798 5.8049 5.8685 5.8883 6.1402 6.1957 6.2842 6.3194 6.4177 6.4237 6.9377 6.9563 7.3366 7.4111 7.6000 7.6955 7.7227 7.8289 7.9062 7.9367 8.1562 8.2194 8.2313 8.3066 8.5738 8.5870 8.6086 8.6551 8.7208 8.8351 9.7731 9.8613 11.5018 11.6386 11.6502 11.6531 14.3104 14.3257 15.1772 15.2090 15.2369 15.3174 k = 0.5000 0.1692 0.2861 ( 2696 PWs) bands (ev): 3.0389 3.0427 5.5729 5.6168 5.7734 5.7961 5.8664 5.8805 6.1695 6.2198 6.2918 6.3252 6.4284 6.4305 6.9545 6.9736 7.3320 7.4027 7.5930 7.6884 7.6963 7.8054 7.8933 7.9322 8.2011 8.2618 8.2833 8.3583 8.5673 8.5720 8.6051 8.6599 8.7123 8.8137 9.7145 9.8129 11.3984 11.5482 11.6591 11.6719 14.2458 14.2561 15.0728 15.1105 15.1537 15.2650 k = 0.5000 0.1786 0.2861 ( 2696 PWs) bands (ev): 3.0322 3.0359 5.5873 5.6337 5.7663 5.7868 5.8686 5.8773 6.1951 6.2416 6.2974 6.3328 6.4392 6.4532 6.9700 6.9914 7.3292 7.3923 7.5834 7.6681 7.6802 7.7799 7.8838 7.9318 8.2438 8.3019 8.3298 8.4013 8.5380 8.5711 8.6095 8.6690 8.7084 8.7946 9.6570 9.7671 11.2974 11.4457 11.6816 11.6954 14.1860 14.1910 14.9489 14.9821 15.1167 15.2145 k = 0.5000 0.1880 0.2861 ( 2704 PWs) bands (ev): 3.0257 3.0293 5.5978 5.6453 5.7586 5.7771 5.8756 5.8800 6.2161 6.2610 6.3015 6.3422 6.4562 6.4839 6.9834 7.0095 7.3287 7.3793 7.5699 7.6412 7.6714 7.7552 7.8772 7.9345 8.2810 8.3383 8.3689 8.4292 8.5085 8.5742 8.6158 8.6836 8.7080 8.7786 9.6025 9.7259 11.1987 11.3454 11.7059 11.7206 14.1303 14.1309 14.8270 14.8554 15.0788 15.1644 k = 0.5000 0.1974 0.2861 ( 2704 PWs) bands (ev): 3.0195 3.0229 5.6042 5.6510 5.7506 5.7672 5.8875 5.8891 6.2323 6.2770 6.3075 6.3534 6.4789 6.5199 6.9937 7.0276 7.3311 7.3629 7.5508 7.6196 7.6623 7.7335 7.8736 7.9399 8.3076 8.3693 8.3987 8.4390 8.4859 8.5836 8.6225 8.7022 8.7105 8.7668 9.5537 9.6918 11.1020 11.2470 11.7319 11.7475 14.0740 14.0806 14.7087 14.7316 15.0404 15.1152 k = 0.5000 0.2068 0.2861 ( 2708 PWs) bands (ev): 3.0137 3.0169 5.6069 5.6514 5.7424 5.7574 5.9035 5.9038 6.2444 6.2857 6.3206 6.3665 6.5061 6.5587 7.0000 7.0454 7.3364 7.3423 7.5261 7.6046 7.6532 7.7162 7.8727 7.9479 8.3154 8.3890 8.4178 8.4383 8.4794 8.5976 8.6284 8.7150 8.7187 8.7618 9.5142 9.6672 11.0071 11.1504 11.7595 11.7759 14.0220 14.0351 14.5947 14.6115 15.0025 15.0677 k = 0.5000 0.2162 0.2861 ( 2712 PWs) bands (ev): 3.0082 3.0112 5.6068 5.6477 5.7343 5.7478 5.9224 5.9225 6.2533 6.2884 6.3403 6.3812 6.5361 6.5986 7.0017 7.0628 7.3172 7.3437 7.5000 7.5947 7.6445 7.7044 7.8748 7.9583 8.3015 8.3845 8.4279 8.4457 8.4905 8.6135 8.6329 8.7198 8.7243 8.7654 9.4882 9.6546 10.9136 11.0553 11.7884 11.8055 13.9744 13.9942 14.4861 14.4960 14.9659 15.0224 k = 0.5000 0.2256 0.2861 ( 2708 PWs) bands (ev): 3.0032 3.0060 5.6047 5.6415 5.7267 5.7387 5.9431 5.9433 6.2600 6.2890 6.3636 6.3978 6.5675 6.6382 6.9986 7.0795 7.2878 7.3503 7.4782 7.5882 7.6365 7.6982 7.8800 7.9709 8.2740 8.3607 8.4315 8.4604 8.5088 8.6298 8.6370 8.7215 8.7232 8.7684 9.4798 9.6558 10.8213 10.9616 11.8183 11.8358 13.9309 13.9581 14.3837 14.3859 14.9312 14.9799 k = 0.5000 0.2350 0.2861 ( 2696 PWs) bands (ev): 2.9987 3.0012 5.6014 5.6338 5.7197 5.7302 5.9645 5.9647 6.2652 6.2890 6.3890 6.4160 6.5989 6.6763 6.9908 7.0949 7.2551 7.3506 7.4679 7.5839 7.6293 7.6973 7.8888 7.9851 8.2421 8.3292 8.4275 8.4739 8.5260 8.6424 8.6459 8.7151 8.7240 8.7620 9.4912 9.6714 10.7301 10.8690 11.8488 11.8663 13.8916 13.9266 14.2819 14.2883 14.8990 14.9407 k = 0.5000 0.2444 0.2861 ( 2692 PWs) bands (ev): 2.9946 2.9968 5.5976 5.6256 5.7133 5.7224 5.9852 5.9855 6.2693 6.2887 6.4159 6.4358 6.6293 6.7118 6.9784 7.1077 7.2211 7.3407 7.4736 7.5814 7.6227 7.7009 7.9012 7.9997 8.2114 8.2940 8.4150 8.4842 8.5381 8.6513 8.6610 8.7026 8.7227 8.7486 9.5217 9.7009 10.6398 10.7775 11.8792 11.8965 13.8565 13.8997 14.1850 14.2010 14.8699 14.9051 k = 0.5000 0.2538 0.2861 ( 2684 PWs) bands (ev): 2.9910 2.9930 5.5937 5.6174 5.7077 5.7154 6.0044 6.0050 6.2727 6.2882 6.4436 6.4568 6.6581 6.7442 6.9623 7.1139 7.1907 7.3236 7.4923 7.5803 7.6167 7.7077 7.9179 8.0119 8.1876 8.2571 8.3938 8.4908 8.5444 8.6639 8.6740 8.6771 8.7201 8.7386 9.5682 9.7427 10.5502 10.6870 11.9089 11.9254 13.8256 13.8773 14.0962 14.1226 14.8442 14.8735 k = 0.5000 0.2632 0.2861 ( 2684 PWs) bands (ev): 2.9880 2.9897 5.5902 5.6097 5.7030 5.7093 6.0215 6.0223 6.2754 6.2878 6.4713 6.4785 6.6848 6.7727 6.9436 7.1028 7.1758 7.3042 7.5186 7.5804 7.6111 7.7157 7.9387 8.0174 8.1768 8.2198 8.3647 8.4930 8.5465 8.6394 8.6784 8.6845 8.7174 8.7355 9.6267 9.7947 10.4616 10.5976 11.9369 11.9521 13.7993 13.8594 14.0167 14.0541 14.8223 14.8461 k = 0.5000 0.2726 0.2861 ( 2684 PWs) bands (ev): 2.9855 2.9869 5.5874 5.6028 5.6991 5.7041 6.0359 6.0369 6.2778 6.2873 6.4976 6.5003 6.7093 6.7966 6.9242 7.0731 7.1788 7.2855 7.5487 7.5820 7.6059 7.7223 7.9634 8.0146 8.1825 8.1836 8.3299 8.4882 8.5465 8.5996 8.6915 8.6920 8.7158 8.7363 9.6939 9.8545 10.3740 10.5094 11.9624 11.9756 13.7782 13.8455 13.9480 13.9960 14.8044 14.8231 k = 0.5000 0.2820 0.2861 ( 2688 PWs) bands (ev): 2.9836 2.9847 5.5853 5.5968 5.6962 5.6999 6.0475 6.0485 6.2798 6.2867 6.5206 6.5210 6.7318 6.8136 6.9084 7.0371 7.1884 7.2682 7.5751 7.5902 7.6011 7.7242 7.9908 8.0087 8.1506 8.1991 8.2950 8.4699 8.5458 8.5684 8.6959 8.7008 8.7180 8.7385 9.7669 9.9196 10.2886 10.4226 11.9842 11.9948 13.7631 13.8334 13.8935 13.9485 14.7908 14.8045 k = 0.5000 0.2914 0.2861 ( 2688 PWs) bands (ev): 2.9823 2.9830 5.5843 5.5919 5.6942 5.6967 6.0560 6.0568 6.2815 6.2860 6.5378 6.5395 6.7527 6.8184 6.9040 7.0010 7.2000 7.2525 7.5823 7.5968 7.6189 7.7182 8.0067 8.0168 8.1258 8.2048 8.2794 8.4347 8.5451 8.5525 8.6985 8.7030 8.7251 8.7402 9.8437 9.9852 10.2085 10.3378 12.0013 12.0088 13.7555 13.8151 13.8624 13.9114 14.7816 14.7906 k = 0.5000 0.3008 0.2861 ( 2692 PWs) bands (ev): 2.9816 2.9820 5.5844 5.5882 5.6933 5.6945 6.0613 6.0617 6.2830 6.2852 6.5498 6.5512 6.7726 6.8088 6.9154 6.9674 7.2123 7.2383 7.5858 7.5928 7.6507 7.7030 8.0122 8.0296 8.1214 8.1784 8.3034 8.3901 8.5446 8.5466 8.7002 8.7026 8.7325 8.7401 9.9217 10.0300 10.1543 10.2565 12.0128 12.0167 13.7567 13.7888 13.8575 13.8841 14.7769 14.7814 k = 0.5000 0.3102 0.2861 ( 2688 PWs) bands (ev): 2.9815 2.9815 5.5857 5.5857 5.6934 5.6934 6.0632 6.0632 6.2842 6.2842 6.5547 6.5547 6.7919 6.7919 6.9381 6.9381 7.2250 7.2250 7.5891 7.5891 7.6797 7.6797 8.0232 8.0232 8.1442 8.1442 8.3444 8.3444 8.5448 8.5448 8.7015 8.7015 8.7376 8.7376 9.9950 9.9950 10.1842 10.1842 12.0181 12.0181 13.7678 13.7678 13.8661 13.8661 14.7768 14.7768 k = 0.5000 0.3102 0.2861 ( 2688 PWs) bands (ev): 2.9815 2.9815 5.5857 5.5857 5.6934 5.6934 6.0632 6.0632 6.2842 6.2842 6.5547 6.5547 6.7919 6.7919 6.9381 6.9381 7.2250 7.2250 7.5891 7.5891 7.6797 7.6797 8.0232 8.0232 8.1442 8.1442 8.3444 8.3444 8.5448 8.5448 8.7015 8.7015 8.7376 8.7376 9.9950 9.9950 10.1842 10.1842 12.0181 12.0181 13.7678 13.7678 13.8661 13.8661 14.7768 14.7768 k = 0.4906 0.3102 0.2861 ( 2692 PWs) bands (ev): 2.9771 2.9774 5.5866 5.5876 5.6935 5.6945 6.0637 6.0638 6.2842 6.2852 6.5521 6.5564 6.7864 6.7962 6.9340 6.9415 7.2209 7.2290 7.5793 7.5992 7.6770 7.6842 8.0197 8.0274 8.1441 8.1483 8.3383 8.3509 8.5343 8.5525 8.6996 8.7011 8.7303 8.7408 9.9873 9.9947 10.1779 10.1833 12.0061 12.0135 13.7745 13.7773 13.8692 13.8706 14.7925 14.7954 k = 0.4811 0.3102 0.2861 ( 2688 PWs) bands (ev): 2.9645 2.9651 5.5901 5.5921 5.6949 5.6967 6.0653 6.0654 6.2852 6.2872 6.5488 6.5574 6.7798 6.7994 6.9293 6.9443 7.2173 7.2324 7.5708 7.6080 7.6769 7.6902 8.0169 8.0315 8.1493 8.1560 8.3336 8.3577 8.5209 8.5575 8.6951 8.6982 8.7187 8.7400 9.9720 9.9864 10.1644 10.1758 11.9779 11.9924 13.7974 13.8025 13.8808 13.8837 14.8412 14.8470 k = 0.4717 0.3102 0.2861 ( 2688 PWs) bands (ev): 2.9438 2.9446 5.5961 5.5992 5.6974 5.7002 6.0680 6.0682 6.2872 6.2902 6.5448 6.5576 6.7723 6.8016 6.9242 6.9465 7.2139 7.2344 7.5644 7.6142 7.6800 7.6972 8.0141 8.0341 8.1610 8.1664 8.3312 8.3646 8.5047 8.5601 8.6881 8.6920 8.7039 8.7357 9.9492 9.9701 10.1446 10.1630 11.9345 11.9550 13.8360 13.8426 13.9037 13.9084 14.9193 14.9278 k = 0.4623 0.3102 0.2861 ( 2688 PWs) bands (ev): 2.9154 2.9165 5.6044 5.6085 5.7011 5.7048 6.0718 6.0720 6.2902 6.2942 6.5401 6.5569 6.7642 6.8030 6.9187 6.9482 7.2107 7.2343 7.5602 7.6172 7.6863 7.7049 8.0104 8.0341 8.1780 8.1796 8.3332 8.3717 8.4856 8.5607 8.6765 8.6783 8.6920 8.7286 9.9194 9.9460 10.1199 10.1466 11.8770 11.9024 13.8894 13.8956 13.9408 13.9481 15.0222 15.0332 k = 0.4528 0.3102 0.2861 ( 2684 PWs) bands (ev): 2.8798 2.8812 5.6148 5.6199 5.7058 5.7105 6.0765 6.0769 6.2942 6.2992 6.5348 6.5554 6.7556 6.8037 6.9130 6.9495 7.2073 7.2317 7.5581 7.6175 7.6947 7.7130 8.0046 8.0312 8.1879 8.2042 8.3416 8.3798 8.4638 8.5599 8.6518 8.6664 8.6836 8.7194 9.8831 9.9144 10.0923 10.1289 11.8068 11.8360 13.9559 13.9593 13.9944 14.0060 15.1455 15.1589 k = 0.4434 0.3102 0.2861 ( 2684 PWs) bands (ev): 2.8377 2.8393 5.6269 5.6330 5.7117 5.7175 6.0823 6.0829 6.2991 6.3052 6.5289 6.5530 6.7467 6.8040 6.9069 6.9508 7.2031 7.2265 7.5576 7.6161 7.7038 7.7210 7.9961 8.0257 8.1932 8.2316 8.3563 8.3900 8.4395 8.5587 8.6222 8.6536 8.6756 8.7089 9.8406 9.8760 10.0640 10.1118 11.7259 11.7579 14.0328 14.0337 14.0661 14.0828 15.2854 15.3009 k = 0.4340 0.3102 0.2861 ( 2680 PWs) bands (ev): 2.7898 2.7915 5.6404 5.6475 5.7187 5.7255 6.0891 6.0899 6.3050 6.3123 6.5225 6.5497 6.7377 6.8041 6.9006 6.9520 7.1981 7.2191 7.5583 7.6136 7.7127 7.7284 7.9844 8.0180 8.1928 8.2565 8.3726 8.4033 8.4140 8.5576 8.5902 8.6448 8.6681 8.6979 9.7928 9.8319 10.0374 10.0976 11.6362 11.6700 14.1172 14.1213 14.1555 14.1757 15.4388 15.4564 k = 0.4245 0.3102 0.2861 ( 2676 PWs) bands (ev): 2.7366 2.7385 5.6551 5.6631 5.7265 5.7345 6.0967 6.0978 6.3118 6.3202 6.5155 6.5455 6.7289 6.8042 6.8938 6.9534 7.1920 7.2101 7.5595 7.6104 7.7206 7.7344 7.9695 8.0087 8.1877 8.2733 8.3815 8.3836 8.4220 8.5529 8.5607 8.6497 8.6625 8.6876 9.7404 9.7830 10.0148 10.0881 11.5397 11.5746 14.2136 14.2195 14.2599 14.2815 15.6035 15.6229 k = 0.4151 0.3102 0.2861 ( 2684 PWs) bands (ev): 2.6789 2.6809 5.6704 5.6794 5.7353 5.7446 6.1051 6.1066 6.3194 6.3290 6.5081 6.5405 6.7200 6.8041 6.8863 6.9549 7.1848 7.2001 7.5606 7.6065 7.7270 7.7382 7.9516 7.9980 8.1789 8.2789 8.3538 8.3760 8.4256 8.5394 8.5476 8.6615 8.6654 8.6903 9.6844 9.7308 9.9986 10.0852 11.4381 11.4737 14.3218 14.3284 14.3764 14.3983 15.7776 15.7987 k = 0.4057 0.3102 0.2861 ( 2680 PWs) bands (ev): 2.6173 2.6195 5.6864 5.6963 5.7448 5.7554 6.1142 6.1163 6.3279 6.3389 6.5004 6.5347 6.7113 6.8040 6.8782 6.9565 7.1768 7.1898 7.5615 7.6020 7.7315 7.7390 7.9315 7.9866 8.1674 8.2743 8.3233 8.3559 8.4000 8.5192 8.5589 8.6593 8.6714 8.7343 9.6259 9.6763 9.9912 10.0909 11.3331 11.3689 14.4409 14.4474 14.5031 14.5243 15.9596 15.9824 k = 0.3962 0.3102 0.2861 ( 2688 PWs) bands (ev): 2.5525 2.5548 5.7025 5.7133 5.7550 5.7670 6.1238 6.1267 6.3372 6.3495 6.4925 6.5282 6.7025 6.8034 6.8693 6.9581 7.1680 7.1800 7.5617 7.5966 7.7332 7.7357 7.9103 7.9750 8.1535 8.2605 8.2932 8.3240 8.3557 8.4960 8.5732 8.6491 8.6994 8.7926 9.5659 9.6205 9.9955 10.1071 11.2259 11.2617 14.5696 14.5753 14.6386 14.6585 16.1486 16.1729 k = 0.3868 0.3102 0.2861 ( 2684 PWs) bands (ev): 2.4852 2.4875 5.7189 5.7305 5.7656 5.7793 6.1339 6.1379 6.3473 6.3610 6.4846 6.5213 6.6937 6.8019 6.8603 6.9597 7.1589 7.1714 7.5609 7.5899 7.7274 7.7309 7.8897 7.9638 8.1373 8.2375 8.2643 8.2835 8.3045 8.4715 8.5791 8.6389 8.7431 8.8538 9.5055 9.5643 10.0142 10.1360 11.1177 11.1533 14.7067 14.7110 14.7819 14.7997 16.3435 16.3693 k = 0.3774 0.3102 0.2861 ( 2688 PWs) bands (ev): 2.4157 2.4182 5.7351 5.7475 5.7766 5.7921 6.1442 6.1496 6.3582 6.3732 6.4770 6.5140 6.6845 6.7980 6.8520 6.9609 7.1498 7.1642 7.5588 7.5811 7.7135 7.7235 7.8718 7.9538 8.1185 8.2044 8.2338 8.2370 8.2558 8.4465 8.5799 8.6291 8.7927 8.9116 9.4454 9.5082 10.0502 10.1795 11.0094 11.0446 14.8510 14.8532 14.9320 14.9470 16.5437 16.5709 k = 0.3679 0.3102 0.2861 ( 2692 PWs) bands (ev): 2.3447 2.3472 5.7510 5.7642 5.7877 5.8051 6.1545 6.1618 6.3697 6.3861 6.4702 6.5067 6.6748 6.7901 6.8459 6.9617 7.1411 7.1589 7.5545 7.5693 7.6941 7.7104 7.8587 7.9452 8.0964 8.1578 8.1868 8.1966 8.2212 8.4213 8.5787 8.6199 8.8409 8.9615 9.3863 9.4529 10.1060 10.2392 10.9017 10.9365 15.0007 15.0014 15.0880 15.0995 16.7486 16.7771 k = 0.3585 0.3102 0.2861 ( 2688 PWs) bands (ev): 2.2725 2.2751 5.7665 5.7805 5.7986 5.8181 6.1645 6.1742 6.3819 6.3993 6.4647 6.4998 6.6645 6.7772 6.8430 6.9616 7.1333 7.1557 7.5467 7.5528 7.6707 7.6935 7.8506 7.9379 8.0698 8.1001 8.1356 8.1592 8.1945 8.3966 8.5771 8.6113 8.8838 9.0006 9.3291 9.3986 10.1829 10.3162 10.7952 10.8295 15.1523 15.1565 15.2492 15.2565 16.9577 16.9874 k = 0.3491 0.3102 0.2861 ( 2688 PWs) bands (ev): 2.1997 2.2023 5.7814 5.7962 5.8091 5.8306 6.1740 6.1868 6.3946 6.4126 6.4614 6.4936 6.6531 6.7598 6.8427 6.9605 7.1266 7.1546 7.5300 7.5325 7.6466 7.6758 7.8463 7.9306 8.0361 8.0394 8.0871 8.1212 8.1708 8.3725 8.5755 8.6033 8.9194 9.0273 9.2746 9.3456 10.2806 10.4106 10.6903 10.7243 15.3069 15.3150 15.4147 15.4174 17.1704 17.2013 k = 0.3396 0.3102 0.2861 ( 2692 PWs) bands (ev): 2.1266 2.1291 5.7954 5.8111 5.8189 5.8424 6.1827 6.1994 6.4077 6.4248 6.4618 6.4887 6.6406 6.7390 6.8440 6.9580 7.1212 7.1553 7.5002 7.5085 7.6261 7.6601 7.8440 7.9186 7.9831 7.9933 8.0449 8.0813 8.1496 8.3494 8.5739 8.5959 8.9468 9.0411 9.2241 9.2941 10.3977 10.5211 10.5876 10.6220 15.4631 15.4756 15.5816 15.5839 17.3864 17.4184 k = 0.3302 0.3102 0.2861 ( 2688 PWs) bands (ev): 2.0534 2.0560 5.8080 5.8253 5.8280 5.8528 6.1906 6.2118 6.4212 6.4348 6.4675 6.4856 6.6268 6.7157 6.8461 6.9540 7.1169 7.1578 7.4641 7.4734 7.6115 7.6475 7.8415 7.8854 7.9452 7.9489 8.0072 8.0397 8.1307 8.3278 8.5724 8.5889 8.9663 9.0412 9.1800 9.2444 10.4852 10.5177 10.5339 10.6517 15.6197 15.6365 15.7486 15.7560 17.6052 17.6382 k = 0.3208 0.3102 0.2861 ( 2688 PWs) bands (ev): 1.9805 1.9831 5.8182 5.8364 5.8383 5.8611 6.1978 6.2241 6.4349 6.4427 6.4789 6.4848 6.6117 6.6908 6.8482 6.9485 7.1132 7.1617 7.4238 7.4295 7.6014 7.6373 7.8316 7.8340 7.9009 7.9359 7.9706 7.9977 8.1141 8.3078 8.5708 8.5824 8.9782 9.0261 9.1454 9.1966 10.3879 10.4196 10.6824 10.7929 15.7751 15.7957 15.9180 15.9303 17.8263 17.8601 k = 0.3113 0.3102 0.2861 ( 2700 PWs) bands (ev): 1.9082 1.9108 5.8246 5.8449 5.8501 5.8666 6.2047 6.2364 6.4484 6.4503 6.4867 6.4938 6.5952 6.6649 6.8498 6.9414 7.1095 7.1666 7.3797 7.3814 7.5929 7.6287 7.7749 7.8096 7.8737 7.9230 7.9344 7.9608 8.0992 8.2892 8.5690 8.5761 8.9829 8.9969 9.1207 9.1514 10.2921 10.3235 10.8447 10.9477 15.9277 15.9512 16.0894 16.1058 18.0482 18.0831 k = 0.3019 0.3102 0.2861 ( 2704 PWs) bands (ev): 1.8367 1.8392 5.8265 5.8537 5.8604 5.8684 6.2120 6.2487 6.4589 6.4616 6.4912 6.5109 6.5780 6.6390 6.8505 6.9325 7.1046 7.1722 7.3268 7.3394 7.5836 7.6207 7.7212 7.7688 7.8621 7.8934 7.9012 7.9421 8.0862 8.2721 8.5669 8.5701 8.9588 8.9806 9.1022 9.1097 10.1988 10.2298 11.0182 11.1141 16.0756 16.1007 16.2620 16.2817 18.2544 18.2983 k = 0.2925 0.3102 0.2861 ( 2704 PWs) bands (ev): 1.7662 1.7686 5.8238 5.8620 5.8658 5.8693 6.2206 6.2615 6.4684 6.4741 6.4977 6.5293 6.5615 6.6142 6.8498 6.9219 7.0970 7.1772 7.2731 7.3002 7.5706 7.6126 7.6733 7.7244 7.8445 7.8543 7.8813 7.9350 8.0746 8.2565 8.5643 8.5643 8.9168 8.9702 9.0732 9.0858 10.1080 10.1387 11.2011 11.2907 16.2168 16.2417 16.4348 16.4568 18.2938 18.3190 k = 0.2830 0.3102 0.2861 ( 2700 PWs) bands (ev): 1.6968 1.6993 5.8166 5.8585 5.8691 5.8759 6.2312 6.2752 6.4769 6.4840 6.5041 6.5486 6.5492 6.5928 6.8471 6.9091 7.0848 7.1766 7.2245 7.2663 7.5507 7.6037 7.6333 7.6805 7.8165 7.8167 7.8768 7.9302 8.0644 8.2422 8.5584 8.5611 8.8737 8.9505 9.0440 9.0696 10.0197 10.0501 11.3924 11.4762 16.3490 16.3720 16.6066 16.6296 18.2960 18.3319 k = 0.2736 0.3102 0.2861 ( 2696 PWs) bands (ev): 1.6288 1.6312 5.8051 5.8463 5.8744 5.8803 6.2442 6.2901 6.4809 6.4839 6.5112 6.5477 6.5678 6.5792 6.8420 6.8942 7.0664 7.1457 7.2062 7.2401 7.5231 7.5935 7.6008 7.6378 7.7852 7.7896 7.8768 7.9257 8.0554 8.2289 8.5524 8.5571 8.8307 8.9224 9.0219 9.0527 9.9339 9.9641 11.5910 11.6698 16.4699 16.4892 16.7754 16.7985 18.2993 18.3510 k = 0.2642 0.3102 0.2861 ( 2696 PWs) bands (ev): 1.5623 1.5646 5.7893 5.8292 5.8774 5.8821 6.2598 6.3065 6.4705 6.4761 6.5224 6.5565 6.5738 6.5907 6.8342 6.8770 7.0419 7.0943 7.2091 7.2221 7.4905 7.5714 7.5774 7.6002 7.7624 7.7683 7.8780 7.9210 8.0474 8.2165 8.5460 8.5520 8.7885 8.8890 9.0043 9.0351 9.8503 9.8805 11.7961 11.8705 16.5773 16.5914 16.9391 16.9614 18.3030 18.3734 k = 0.2547 0.3102 0.2861 ( 2692 PWs) bands (ev): 1.4974 1.4997 5.7697 5.8077 5.8776 5.8809 6.2778 6.3243 6.4518 6.4630 6.5350 6.5699 6.5817 6.6116 6.8235 6.8577 7.0135 7.0411 7.2112 7.2150 7.4553 7.5407 7.5430 7.5829 7.7490 7.7538 7.8796 7.9160 8.0403 8.2050 8.5389 8.5456 8.7478 8.8538 8.9883 9.0168 9.7690 9.7993 12.0070 12.0776 16.6698 16.6774 17.0951 17.1158 18.3043 18.3938 k = 0.2453 0.3102 0.2861 ( 2676 PWs) bands (ev): 1.4343 1.4365 5.7465 5.7824 5.8749 5.8764 6.2977 6.3436 6.4320 6.4465 6.5473 6.5850 6.5956 6.6329 6.8102 6.8368 6.9841 6.9894 7.2052 7.2216 7.4173 7.4950 7.5176 7.5751 7.7437 7.7454 7.8814 7.9106 8.0340 8.1942 8.5306 8.5375 8.7090 8.8186 8.9727 8.9978 9.6899 9.7204 12.2233 12.2906 16.7464 16.7468 17.2404 17.2586 18.3000 18.4052 k = 0.2358 0.3102 0.2861 ( 2676 PWs) bands (ev): 1.3729 1.3751 5.7202 5.7539 5.8682 5.8685 6.3186 6.3640 6.4127 6.4303 6.5580 6.6001 6.6120 6.6534 6.7949 6.8152 6.9408 6.9564 7.2022 7.2283 7.3755 7.4475 7.4983 7.5710 7.7420 7.7444 7.8831 7.9049 8.0282 8.1840 8.5204 8.5273 8.6729 8.7848 8.9567 8.9781 9.6127 9.6436 12.4444 12.5088 16.8001 16.8071 17.3716 17.3868 18.2879 18.4019 k = 0.2264 0.3102 0.2861 ( 2680 PWs) bands (ev): 1.3135 1.3156 5.6913 5.7227 5.8563 5.8584 6.3388 6.3849 6.3951 6.4176 6.5662 6.6137 6.6286 6.6712 6.7789 6.7942 6.8971 6.9327 7.2012 7.2350 7.3300 7.3998 7.4861 7.5700 7.7426 7.7496 7.8848 7.8990 8.0228 8.1742 8.5072 8.5145 8.6406 8.7530 8.9402 8.9579 9.5375 9.5689 12.6698 12.7317 16.8389 16.8529 17.4857 17.4972 18.2676 18.3827 k = 0.2170 0.3102 0.2861 ( 2676 PWs) bands (ev): 1.2561 1.2581 5.6603 5.6894 5.8406 5.8444 6.3544 6.3795 6.4059 6.4126 6.5710 6.6239 6.6438 6.6822 6.7642 6.7760 6.8625 6.9152 7.2008 7.2419 7.2824 7.3534 7.4804 7.5718 7.7464 7.7581 7.8865 7.8930 8.0178 8.1650 8.4897 8.4988 8.6134 8.7241 8.9230 8.9372 9.4640 9.4962 12.8991 12.9590 16.8649 16.8854 17.5805 17.5877 18.2403 18.3507 k = 0.2075 0.3102 0.2861 ( 2680 PWs) bands (ev): 1.2008 1.2027 5.6276 5.6546 5.8212 5.8266 6.3595 6.3665 6.4206 6.4258 6.5718 6.6287 6.6544 6.6821 6.7519 6.7629 6.8435 6.9052 7.1994 7.2341 7.2491 7.3103 7.4798 7.5759 7.7526 7.7691 7.8870 7.8882 8.0131 8.1563 8.4671 8.4797 8.5921 8.6985 8.9051 8.9160 9.3922 9.4255 13.1320 13.1902 16.8802 16.9062 17.6551 17.6572 18.2083 18.3103 k = 0.1981 0.3102 0.2861 ( 2680 PWs) bands (ev): 1.1476 1.1494 5.5937 5.6186 5.7986 5.8051 6.3560 6.3568 6.4383 6.4434 6.5680 6.6275 6.6541 6.6726 6.7434 6.7567 6.8441 6.9036 7.1867 7.1934 7.2566 7.2747 7.4833 7.5819 7.7609 7.7820 7.8812 7.8899 8.0085 8.1479 8.4400 8.4572 8.5763 8.6763 8.8864 8.8945 9.3220 9.3566 13.3680 13.4249 16.8869 16.9175 17.7065 17.7103 18.1738 18.2653 k = 0.1887 0.3102 0.2861 ( 2680 PWs) bands (ev): 1.0966 1.0984 5.5590 5.5820 5.7732 5.7805 6.3479 6.3521 6.4565 6.4578 6.5597 6.6228 6.6402 6.6579 6.7445 6.7570 6.8578 6.9100 7.1418 7.1764 7.2534 7.2645 7.4899 7.5892 7.7708 7.7961 7.8760 7.8916 8.0041 8.1400 8.4098 8.4317 8.5645 8.6574 8.8670 8.8727 9.2533 9.2895 13.6067 13.6626 16.8868 16.9209 17.7373 17.7483 18.1388 18.2185 k = 0.1792 0.3102 0.2861 ( 2680 PWs) bands (ev): 1.0479 1.0495 5.5240 5.5451 5.7455 5.7533 6.3420 6.3478 6.4629 6.4735 6.5470 6.6194 6.6203 6.6419 6.7541 6.7618 6.8756 6.9231 7.1019 7.1491 7.2467 7.2727 7.4988 7.5976 7.7820 7.8104 7.8720 7.8936 7.9997 8.1325 8.3779 8.4036 8.5555 8.6412 8.8468 8.8505 9.1861 9.2244 13.8478 13.9029 16.8815 16.9182 17.7525 17.7718 18.1046 18.1717 k = 0.1698 0.3102 0.2861 ( 2676 PWs) bands (ev): 1.0014 1.0030 5.4889 5.5082 5.7161 5.7242 6.3379 6.3443 6.4612 6.4798 6.5309 6.5988 6.6208 6.6331 6.7676 6.7694 6.8895 6.9410 7.0717 7.1197 7.2473 7.2814 7.5096 7.6067 7.7939 7.8229 7.8712 7.8960 7.9954 8.1254 8.3453 8.3737 8.5482 8.6273 8.8258 8.8280 9.1203 9.1612 14.0908 14.1454 16.8723 16.9108 17.7550 17.7838 18.0722 18.1262 k = 0.1604 0.3102 0.2861 ( 2672 PWs) bands (ev): 0.9573 0.9588 5.4541 5.4718 5.6857 5.6936 6.3350 6.3415 6.4524 6.4733 6.5127 6.5770 6.6263 6.6376 6.7786 6.7823 6.8913 6.9615 7.0581 7.0943 7.2507 7.2903 7.5218 7.6161 7.8062 7.8300 7.8768 7.8989 7.9912 8.1188 8.3129 8.3425 8.5420 8.6150 8.8037 8.8053 9.0559 9.1000 14.3350 14.3895 16.8604 16.9000 17.7477 17.7869 18.0420 18.0828 k = 0.1509 0.3102 0.2861 ( 2668 PWs) bands (ev): 0.9156 0.9170 5.4199 5.4360 5.6547 5.6624 6.3329 6.3392 6.4388 6.4566 6.4936 6.5555 6.6331 6.6531 6.7890 6.7971 6.8775 6.9815 7.0644 7.0770 7.2554 7.2996 7.5350 7.6257 7.8182 7.8301 7.8899 7.9028 7.9872 8.1127 8.2810 8.3108 8.5365 8.6038 8.7803 8.7825 8.9930 9.0412 14.5798 14.6346 16.8469 16.8868 17.7336 17.7833 18.0141 18.0421 k = 0.1415 0.3102 0.2861 ( 2660 PWs) bands (ev): 0.8762 0.8776 5.3866 5.4013 5.6236 5.6310 6.3309 6.3371 6.4228 6.4349 6.4748 6.5350 6.6379 6.6740 6.8008 6.8112 6.8548 6.9967 7.0730 7.0849 7.2608 7.3092 7.5490 7.6353 7.8261 7.8290 7.9074 7.9081 7.9837 8.1073 8.2502 8.2791 8.5315 8.5935 8.7554 8.7594 8.9317 8.9852 14.8245 14.8798 16.8328 16.8724 17.7148 17.7749 17.9884 18.0045 k = 0.1321 0.3102 0.2861 ( 2664 PWs) bands (ev): 0.8393 0.8406 5.3544 5.3677 5.5929 5.5998 6.3283 6.3347 6.4061 6.4115 6.4570 6.5159 6.6386 6.6943 6.8137 6.8198 6.8364 7.0045 7.0845 7.1125 7.2663 7.3194 7.5635 7.6446 7.8201 7.8380 7.9150 7.9261 7.9815 8.1025 8.2207 8.2477 8.5266 8.5836 8.7285 8.7362 8.8721 8.9324 15.0678 15.1242 16.8191 16.8580 17.6935 17.7634 17.9647 17.9701 k = 0.1226 0.3102 0.2861 ( 2664 PWs) bands (ev): 0.8049 0.8061 5.3235 5.3356 5.5630 5.5694 6.3240 6.3318 6.3883 6.3904 6.4408 6.4986 6.6344 6.7063 6.8121 6.8276 6.8431 7.0099 7.1064 7.1430 7.2719 7.3303 7.5783 7.6536 7.8128 7.8448 7.9238 7.9430 7.9826 8.0986 8.1929 8.2171 8.5215 8.5739 8.6989 8.7129 8.8145 8.8836 15.3084 15.3662 16.8069 16.8447 17.6711 17.7502 17.9390 17.9428 k = 0.1132 0.3102 0.2861 ( 2668 PWs) bands (ev): 0.7729 0.7740 5.2943 5.3052 5.5343 5.5401 6.3173 6.3277 6.3665 6.3765 6.4270 6.4832 6.6258 6.7013 6.8170 6.8419 6.8553 7.0179 7.1325 7.1739 7.2775 7.3424 7.5932 7.6621 7.8046 7.8494 7.9340 7.9526 7.9921 8.0956 8.1671 8.1877 8.5159 8.5641 8.6663 8.6897 8.7596 8.8394 15.5439 15.6036 16.7979 16.8343 17.6490 17.7366 17.9111 17.9227 k = 0.1038 0.3102 0.2861 ( 2664 PWs) bands (ev): 0.7434 0.7444 5.2668 5.2765 5.5069 5.5122 6.3078 6.3212 6.3477 6.3646 6.4161 6.4699 6.6139 6.6827 6.8367 6.8559 6.8675 7.0300 7.1599 7.2036 7.2830 7.3560 7.6082 7.6701 7.7958 7.8522 7.9449 7.9545 8.0104 8.0938 8.1437 8.1599 8.5089 8.5539 8.6308 8.6666 8.7082 8.8004 15.7711 15.8330 16.7944 16.8297 17.6281 17.7242 17.8860 17.9044 k = 0.0943 0.3102 0.2861 ( 2664 PWs) bands (ev): 0.7165 0.7174 5.2412 5.2499 5.4813 5.4860 6.2962 6.3104 6.3339 6.3538 6.4086 6.4587 6.6000 6.6592 6.8622 6.8689 6.8801 7.0460 7.1870 7.2305 7.2884 7.3718 7.6230 7.6774 7.7865 7.8538 7.9534 7.9554 8.0323 8.0930 8.1230 8.1338 8.4991 8.5418 8.5938 8.6435 8.6620 8.7663 15.9841 16.0479 16.8005 16.8358 17.6094 17.7145 17.8638 17.8880 k = 0.0849 0.3102 0.2861 ( 2664 PWs) bands (ev): 0.6921 0.6929 5.2177 5.2253 5.4575 5.4616 6.2835 6.2959 6.3250 6.3435 6.4041 6.4495 6.5853 6.6351 6.8807 6.8830 6.8991 7.0649 7.2128 7.2535 7.2939 7.3899 7.6372 7.6839 7.7774 7.8548 7.9516 7.9647 8.0555 8.0916 8.1071 8.1098 8.4842 8.5233 8.5608 8.6191 8.6255 8.7367 16.1733 16.2370 16.8235 16.8621 17.5939 17.7095 17.8440 17.8739 k = 0.0755 0.3102 0.2861 ( 2668 PWs) bands (ev): 0.6702 0.6709 5.1963 5.2030 5.4358 5.4394 6.2707 6.2806 6.3180 6.3336 6.4021 6.4420 6.5706 6.6121 6.8911 6.8944 6.9275 7.0855 7.2361 7.2719 7.3001 7.4097 7.6502 7.6895 7.7697 7.8558 7.9499 7.9721 8.0756 8.0831 8.0915 8.1023 8.4622 8.4908 8.5403 8.5920 8.6027 8.7108 16.3238 16.3824 16.8746 16.9231 17.5832 17.7116 17.8266 17.8626 k = 0.0660 0.3102 0.2861 ( 2664 PWs) bands (ev): 0.6508 0.6515 5.1773 5.1831 5.4163 5.4195 6.2587 6.2663 6.3117 6.3242 6.4017 6.4361 6.5569 6.5911 6.9002 6.9031 6.9579 7.1063 7.2559 7.2861 7.3079 7.4297 7.6609 7.6941 7.7656 7.8575 7.9486 7.9771 8.0645 8.0709 8.1051 8.1066 8.4335 8.4502 8.5275 8.5704 8.5858 8.6879 16.4238 16.4718 16.9600 17.0255 17.5801 17.7245 17.8115 17.8549 k = 0.0566 0.3102 0.2861 ( 2660 PWs) bands (ev): 0.6341 0.6346 5.1607 5.1655 5.3992 5.4019 6.2477 6.2535 6.3059 6.3156 6.4025 6.4314 6.5445 6.5723 6.9080 6.9104 6.9881 7.1257 7.2709 7.2966 7.3186 7.4475 7.6680 7.6977 7.7676 7.8604 7.9479 7.9796 8.0466 8.0594 8.1101 8.1302 8.4016 8.4079 8.5171 8.5515 8.5753 8.6675 16.4790 16.5160 17.0665 17.1488 17.5896 17.7524 17.7992 17.8530 k = 0.0472 0.3102 0.2861 ( 2664 PWs) bands (ev): 0.6199 0.6203 5.1465 5.1505 5.3846 5.3868 6.2381 6.2424 6.3007 6.3080 6.4038 6.4275 6.5337 6.5559 6.9145 6.9164 7.0175 7.1421 7.2813 7.3041 7.3326 7.4605 7.6715 7.6998 7.7772 7.8646 7.9477 7.9795 8.0301 8.0481 8.1167 8.1539 8.3661 8.3704 8.5076 8.5334 8.5705 8.6493 16.5067 16.5350 17.1686 17.2576 17.6189 17.7807 17.8086 17.8612 k = 0.0377 0.3102 0.2861 ( 2668 PWs) bands (ev): 0.6083 0.6086 5.1349 5.1381 5.3726 5.3743 6.2300 6.2332 6.2962 6.3016 6.4056 6.4243 6.5250 6.5420 6.9198 6.9212 7.0457 7.1535 7.2889 7.3092 7.3490 7.4666 7.6735 7.7006 7.7939 7.8703 7.9479 7.9774 8.0154 8.0357 8.1252 8.1771 8.3258 8.3422 8.4989 8.5169 8.5696 8.6332 16.5205 16.5418 17.2483 17.3272 17.6656 17.7743 17.8741 17.8885 k = 0.0283 0.3102 0.2861 ( 2664 PWs) bands (ev): 0.5992 0.5995 5.1259 5.1283 5.3632 5.3645 6.2237 6.2259 6.2927 6.2965 6.4077 6.4216 6.5184 6.5308 6.9239 6.9250 7.0722 7.1587 7.2955 7.3122 7.3669 7.4651 7.6762 7.7000 7.8153 7.8767 7.9485 7.9737 8.0028 8.0213 8.1365 8.1995 8.2879 8.3179 8.4914 8.5029 8.5712 8.6191 16.5276 16.5430 17.3023 17.3603 17.7064 17.7665 17.9424 17.9519 k = 0.0189 0.3102 0.2861 ( 2668 PWs) bands (ev): 0.5928 0.5930 5.1196 5.1212 5.3565 5.3574 6.2192 6.2205 6.2902 6.2926 6.4098 6.4190 6.5141 6.5222 6.9269 6.9276 7.0964 7.1570 7.3015 7.3134 7.3859 7.4564 7.6801 7.6979 7.8391 7.8825 7.9491 7.9682 7.9931 8.0059 8.1513 8.2208 8.2528 8.2970 8.4856 8.4920 8.5749 8.6068 16.5317 16.5418 17.3361 17.3725 17.7291 17.7597 18.0091 18.0229 k = 0.0094 0.3102 0.2861 ( 2656 PWs) bands (ev): 0.5890 0.5890 5.1159 5.1167 5.3526 5.3530 6.2166 6.2173 6.2889 6.2901 6.4121 6.4167 6.5123 6.5163 6.9288 6.9292 7.1179 7.1491 7.3067 7.3129 7.4056 7.4423 7.6851 7.6945 7.8617 7.8845 7.9503 7.9609 7.9875 7.9934 8.1704 8.2214 8.2410 8.2782 8.4821 8.4849 8.5804 8.5963 16.5346 16.5396 17.3566 17.3739 17.7407 17.7537 18.0624 18.0708 k = 0.0000 0.3102 0.2861 ( 2652 PWs) bands (ev): 0.5877 0.5877 5.1150 5.1150 5.3514 5.3514 6.2160 6.2160 6.2889 6.2889 6.4144 6.4144 6.5131 6.5131 6.9296 6.9296 7.1358 7.1358 7.3106 7.3106 7.4248 7.4248 7.6901 7.6901 7.8782 7.8782 7.9537 7.9537 7.9872 7.9872 8.1938 8.1938 8.2599 8.2599 8.4817 8.4817 8.5875 8.5875 16.5372 16.5372 17.3685 17.3685 17.7479 17.7479 18.0851 18.0851 k = 0.0000 0.3102 0.2861 ( 2652 PWs) bands (ev): 0.5877 0.5877 5.1150 5.1150 5.3514 5.3514 6.2160 6.2160 6.2889 6.2889 6.4144 6.4144 6.5131 6.5131 6.9296 6.9296 7.1358 7.1358 7.3106 7.3106 7.4248 7.4248 7.6901 7.6901 7.8782 7.8782 7.9537 7.9537 7.9872 7.9872 8.1938 8.1938 8.2599 8.2599 8.4817 8.4817 8.5875 8.5875 16.5372 16.5372 17.3685 17.3685 17.7479 17.7479 18.0851 18.0851 k = 0.0000 0.3008 0.2861 ( 2660 PWs) bands (ev): 0.5868 0.5868 5.1158 5.1177 5.3483 5.3503 6.2092 6.2223 6.2809 6.2983 6.4071 6.4113 6.5173 6.5185 6.9273 6.9337 7.1341 7.1370 7.3101 7.3113 7.4225 7.4256 7.6814 7.6989 7.8525 7.8839 7.9526 7.9571 7.9834 7.9902 8.1925 8.1949 8.2535 8.2703 8.4802 8.5035 8.5804 8.6033 16.5032 16.5606 17.2699 17.4444 17.6807 17.7924 18.0767 18.0827 k = 0.0000 0.2914 0.2861 ( 2660 PWs) bands (ev): 0.5841 0.5842 5.1199 5.1240 5.3410 5.3453 6.2024 6.2272 6.2753 6.3088 6.3927 6.3996 6.5297 6.5307 6.9267 6.9399 7.1322 7.1381 7.3100 7.3124 7.4191 7.4247 7.6736 7.7070 7.8173 7.8652 7.9566 7.9578 7.9786 7.9937 8.1891 8.1972 8.2473 8.2879 8.4946 8.5456 8.5800 8.6314 16.4573 16.5742 17.1493 17.4989 17.5920 17.8164 18.0587 18.0704 k = 0.0000 0.2820 0.2861 ( 2666 PWs) bands (ev): 0.5797 0.5798 5.1269 5.1335 5.3299 5.3368 6.1959 6.2293 6.2734 6.3195 6.3750 6.3828 6.5461 6.5463 6.9276 6.9482 7.1297 7.1390 7.3101 7.3138 7.4148 7.4220 7.6668 7.7115 7.7811 7.8319 7.9547 7.9602 7.9737 7.9979 8.1776 8.2054 8.2429 8.3091 8.5171 8.5827 8.6076 8.6762 16.3977 16.5771 17.0100 17.4850 17.5355 17.8229 18.0341 18.0503 k = 0.0000 0.2726 0.2861 ( 2668 PWs) bands (ev): 0.5737 0.5737 5.1359 5.1459 5.3155 5.3261 6.1898 6.2278 6.2759 6.3282 6.3585 6.3639 6.5625 6.5646 6.9296 6.9583 7.1266 7.1397 7.3105 7.3154 7.4099 7.4175 7.6615 7.7021 7.7575 7.7928 7.9482 7.9612 7.9695 8.0017 8.1639 8.2077 8.2481 8.3303 8.5418 8.5926 8.6817 8.7395 16.3220 16.5650 16.8600 17.3688 17.5548 17.8148 18.0057 18.0249 k = 0.0000 0.2632 0.2861 ( 2672 PWs) bands (ev): 0.5660 0.5661 5.1454 5.1598 5.2994 5.3147 6.1842 6.2236 6.2812 6.3232 6.3442 6.3555 6.5791 6.5833 6.9322 6.9700 7.1229 7.1400 7.3110 7.3170 7.4046 7.4114 7.6574 7.6722 7.7530 7.7549 7.9392 7.9603 7.9658 8.0041 8.1502 8.2016 8.2638 8.3503 8.5669 8.6062 8.7684 8.8192 16.2278 16.5181 16.7230 17.2493 17.5610 17.7945 17.9761 17.9960 k = 0.0000 0.2538 0.2861 ( 2682 PWs) bands (ev): 0.5568 0.5569 5.1524 5.1724 5.2846 5.3060 6.1790 6.2180 6.2866 6.3051 6.3259 6.3660 6.5950 6.6016 6.9351 6.9827 7.1187 7.1396 7.3116 7.3184 7.3991 7.4045 7.6366 7.6542 7.7156 7.7599 7.9288 7.9581 7.9622 8.0046 8.1375 8.1927 8.2837 8.3691 8.5928 8.6238 8.8652 8.9120 16.1134 16.3960 16.6430 17.1329 17.5557 17.7643 17.9464 17.9649 k = 0.0000 0.2444 0.2861 ( 2682 PWs) bands (ev): 0.5463 0.5464 5.1530 5.1773 5.2779 5.3041 6.1743 6.2119 6.2846 6.2848 6.3156 6.3796 6.6100 6.6190 6.9381 6.9956 7.1143 7.1383 7.3121 7.3194 7.3939 7.3978 7.6027 7.6494 7.6845 7.7661 7.9177 7.9550 7.9584 8.0031 8.1261 8.1836 8.3049 8.3870 8.6205 8.6455 8.9706 9.0152 15.9783 16.2179 16.6040 17.0238 17.5407 17.7261 17.9172 17.9327 k = 0.0000 0.2350 0.2861 ( 2674 PWs) bands (ev): 0.5345 0.5346 5.1437 5.1675 5.2862 5.3127 6.1701 6.2057 6.2638 6.2703 6.3189 6.3942 6.6238 6.6352 6.9408 7.0074 7.1109 7.1353 7.3125 7.3197 7.3894 7.3926 7.5726 7.6346 7.6687 7.7717 7.9062 7.9512 7.9545 7.9996 8.1164 8.1751 8.3269 8.4044 8.6505 8.6712 9.0835 9.1269 15.8242 16.0186 16.5736 16.9233 17.5175 17.6821 17.8883 17.9001 k = 0.0000 0.2256 0.2861 ( 2674 PWs) bands (ev): 0.5216 0.5217 5.1251 5.1453 5.3077 5.3314 6.1663 6.1995 6.2431 6.2510 6.3273 6.4093 6.6362 6.6500 6.9430 7.0157 7.1101 7.1300 7.3126 7.3193 7.3857 7.3900 7.5470 7.6111 7.6666 7.7759 7.8945 7.9468 7.9506 7.9942 8.1081 8.1674 8.3488 8.4213 8.6832 8.7009 9.2030 9.2456 15.6536 15.8097 16.5422 16.8305 17.4874 17.6338 17.8594 17.8675 k = 0.0000 0.2162 0.2861 ( 2674 PWs) bands (ev): 0.5077 0.5079 5.0997 5.1164 5.3367 5.3577 6.1629 6.1933 6.2228 6.2309 6.3369 6.4246 6.6468 6.6630 6.9448 7.0184 7.1141 7.1222 7.3125 7.3189 7.3832 7.3903 7.5261 7.5883 7.6688 7.7785 7.8825 7.9419 7.9469 7.9872 8.1015 8.1608 8.3707 8.4380 8.7190 8.7347 9.3285 9.3707 15.4698 15.5954 16.5072 16.7437 17.4518 17.5828 17.8303 17.8353 k = 0.0000 0.2068 0.2861 ( 2674 PWs) bands (ev): 0.4931 0.4932 5.0702 5.0839 5.3702 5.3894 6.1599 6.1868 6.2030 6.2113 6.3468 6.4397 6.6556 6.6740 6.9462 7.0149 7.1119 7.1235 7.3124 7.3195 7.3820 7.3932 7.5098 7.5680 7.6726 7.7792 7.8705 7.9364 7.9436 7.9786 8.0962 8.1551 8.3926 8.4547 8.7582 8.7726 9.4595 9.5014 15.2762 15.3779 16.4673 16.6604 17.4117 17.5301 17.8008 17.8035 k = 0.0000 0.1974 0.2861 ( 2674 PWs) bands (ev): 0.4778 0.4779 5.0380 5.0494 5.4066 5.4248 6.1572 6.1789 6.1838 6.1937 6.3566 6.4546 6.6624 6.6828 6.9475 7.0068 7.0994 7.1367 7.3126 7.3217 7.3820 7.3982 7.4977 7.5506 7.6774 7.7781 7.8583 7.9304 7.9408 7.9689 8.0923 8.1502 8.4142 8.4712 8.8011 8.8148 9.5956 9.6373 15.0755 15.1584 16.4220 16.5785 17.3682 17.4766 17.7709 17.7721 k = 0.0000 0.1880 0.2861 ( 2664 PWs) bands (ev): 0.4620 0.4621 5.0043 5.0140 5.4451 5.4630 6.1547 6.1656 6.1657 6.1822 6.3661 6.4689 6.6669 6.6891 6.9489 6.9964 7.0856 7.1519 7.3135 7.3257 7.3832 7.4045 7.4894 7.5358 7.6828 7.7753 7.8460 7.9241 7.9385 7.9582 8.0897 8.1462 8.4356 8.4878 8.8478 8.8615 9.7366 9.7780 14.8698 14.9381 16.3704 16.4960 17.3224 17.4229 17.7405 17.7410 k = 0.0000 0.1786 0.2861 ( 2656 PWs) bands (ev): 0.4459 0.4460 4.9698 4.9781 5.4850 5.5033 6.1468 6.1483 6.1540 6.1757 6.3750 6.4821 6.6692 6.6930 6.9508 6.9852 7.0715 7.1676 7.3153 7.3312 7.3854 7.4116 7.4844 7.5237 7.6885 7.7710 7.8336 7.9173 7.9365 7.9469 8.0880 8.1426 8.4566 8.5042 8.8987 8.9128 9.8821 9.9233 14.6611 14.7178 16.3120 16.4110 17.2749 17.3694 17.7096 17.7102 k = 0.0000 0.1692 0.2861 ( 2662 PWs) bands (ev): 0.4296 0.4298 4.9350 4.9422 5.5258 5.5450 6.1303 6.1304 6.1520 6.1706 6.3831 6.4940 6.6690 6.6939 6.9535 6.9745 7.0575 7.1826 7.3184 7.3380 7.3883 7.4186 7.4822 7.5140 7.6944 7.7655 7.8209 7.9101 7.9348 7.9350 8.0872 8.1395 8.4772 8.5206 8.9541 8.9688 10.0318 10.0729 14.4506 14.4980 16.2457 16.3220 17.2266 17.3166 17.6784 17.6796 k = 0.0000 0.1598 0.2861 ( 2664 PWs) bands (ev): 0.4133 0.4135 4.9005 4.9067 5.5671 5.5876 6.1128 6.1143 6.1507 6.1661 6.3903 6.5042 6.6665 6.6922 6.9575 6.9650 7.0443 7.1963 7.3229 7.3459 7.3920 7.4253 7.4825 7.5069 7.7002 7.7592 7.8081 7.9028 7.9228 7.9332 8.0872 8.1367 8.4974 8.5367 9.0141 9.0297 10.1856 10.2264 14.2395 14.2793 16.1707 16.2274 17.1780 17.2646 17.6466 17.6493 k = 0.0000 0.1504 0.2861 ( 2668 PWs) bands (ev): 0.3971 0.3973 4.8666 4.8720 5.6084 5.6308 6.0959 6.0993 6.1498 6.1621 6.3964 6.5123 6.6619 6.6878 6.9571 6.9632 7.0323 7.2084 7.3290 7.3543 7.3963 7.4308 7.4848 7.5027 7.7057 7.7524 7.7952 7.8952 7.9104 7.9314 8.0877 8.1343 8.5170 8.5526 9.0792 9.0958 10.3430 10.3838 14.0286 14.0622 16.0859 16.1258 17.1297 17.2135 17.6143 17.6192 k = 0.0000 0.1410 0.2861 ( 2664 PWs) bands (ev): 0.3813 0.3814 4.8336 4.8383 5.6492 5.6743 6.0798 6.0854 6.1494 6.1584 6.4015 6.5180 6.6555 6.6812 6.9511 6.9707 7.0218 7.2186 7.3366 7.3632 7.4012 7.4348 7.4889 7.5016 7.7107 7.7454 7.7822 7.8876 7.8981 7.9296 8.0887 8.1320 8.5359 8.5681 9.1495 9.1672 10.5040 10.5447 13.8188 13.8470 15.9902 16.0159 17.0822 17.1636 17.5813 17.5892 k = 0.0000 0.1316 0.2861 ( 2660 PWs) bands (ev): 0.3658 0.3660 4.8017 4.8058 5.6893 5.7175 6.0644 6.0727 6.1493 6.1551 6.4053 6.5211 6.6475 6.6726 6.9467 6.9800 7.0129 7.2271 7.3455 7.3723 7.4066 7.4372 7.4944 7.5033 7.7150 7.7383 7.7691 7.8799 7.8860 7.9275 8.0900 8.1300 8.5541 8.5831 9.2252 9.2441 10.6680 10.7089 13.6106 13.6342 15.8829 15.8969 17.0358 17.1147 17.5472 17.5593 k = 0.0000 0.1222 0.2861 ( 2658 PWs) bands (ev): 0.3509 0.3510 4.7713 4.7749 5.7281 5.7604 6.0498 6.0612 6.1497 6.1520 6.4078 6.5214 6.6386 6.6627 6.9438 6.9893 7.0072 7.2340 7.3554 7.3812 7.4122 7.4386 7.5012 7.5072 7.7182 7.7313 7.7561 7.8714 7.8754 7.9252 8.0915 8.1281 8.5714 8.5974 9.3065 9.3264 10.8348 10.8761 13.4049 13.4241 15.7633 15.7680 16.9911 17.0671 17.5118 17.5294 k = 0.0000 0.1128 0.2861 ( 2658 PWs) bands (ev): 0.3366 0.3367 4.7424 4.7455 5.7651 5.8024 6.0362 6.0513 6.1493 6.1504 6.4089 6.5189 6.6289 6.6517 6.9419 6.9910 7.0122 7.2396 7.3659 7.3895 7.4177 7.4398 7.5090 7.5126 7.7200 7.7244 7.7432 7.8601 7.8682 7.9226 8.0933 8.1263 8.5878 8.6111 9.3934 9.4144 11.0039 11.0459 13.2022 13.2171 15.6292 15.6314 16.9485 17.0209 17.4748 17.4993 k = 0.0000 0.1034 0.2861 ( 2656 PWs) bands (ev): 0.3230 0.3232 4.7153 4.7180 5.8000 5.8434 6.0235 6.0431 6.1468 6.1516 6.4087 6.5136 6.6189 6.6402 6.9409 6.9863 7.0264 7.2440 7.3770 7.3968 7.4230 7.4418 7.5177 7.5188 7.7175 7.7201 7.7308 7.8481 7.8630 7.9197 8.0950 8.1246 8.6032 8.6240 9.4861 9.5081 11.1745 11.2179 13.0034 13.0139 15.4806 15.4876 16.9082 16.9764 17.4364 17.4688 k = 0.0000 0.0940 0.2861 ( 2664 PWs) bands (ev): 0.3103 0.3105 4.6901 4.6925 5.8319 5.8830 6.0119 6.0371 6.1447 6.1533 6.4071 6.5058 6.6090 6.6285 6.9405 6.9810 7.0433 7.2474 7.3884 7.4025 7.4275 7.4452 7.5252 7.5271 7.7098 7.7183 7.7199 7.8360 7.8592 7.9166 8.0967 8.1230 8.6176 8.6360 9.5846 9.6073 11.3451 11.3912 12.8101 12.8152 15.3230 15.3329 16.8708 16.9339 17.3973 17.4378 k = 0.0000 0.0846 0.2861 ( 2672 PWs) bands (ev): 0.2986 0.2987 4.6669 4.6690 5.8601 5.9206 6.0016 6.0337 6.1429 6.1556 6.4042 6.4956 6.5993 6.6170 6.9405 6.9759 7.0616 7.2500 7.4001 7.4065 7.4312 7.4505 7.5316 7.5372 7.6997 7.7123 7.7147 7.8238 7.8570 7.9134 8.0984 8.1215 8.6308 8.6470 9.6887 9.7122 11.5132 11.5642 12.6226 12.6250 15.1574 15.1687 16.8365 16.8939 17.3590 17.4063 k = 0.0000 0.0752 0.2861 ( 2672 PWs) bands (ev): 0.2879 0.2880 4.6459 4.6477 5.8839 5.9544 5.9943 6.0336 6.1416 6.1586 6.4003 6.4835 6.5902 6.6059 6.9408 6.9714 7.0809 7.2517 7.4090 7.4118 7.4340 7.4575 7.5378 7.5477 7.6879 7.7074 7.7092 7.8117 7.8563 7.9099 8.1000 8.1201 8.6429 8.6570 9.7985 9.8226 11.6717 11.7326 12.4402 12.4550 14.9853 14.9968 16.8056 16.8568 17.3233 17.3748 k = 0.0000 0.0658 0.2861 ( 2676 PWs) bands (ev): 0.2783 0.2784 4.6272 4.6288 5.9023 5.9720 6.0017 6.0372 6.1410 6.1623 6.3953 6.4697 6.5818 6.5955 6.9413 6.9673 7.1005 7.2523 7.4105 7.4229 7.4363 7.4653 7.5437 7.5585 7.6758 7.7023 7.7041 7.7995 7.8569 7.9063 8.1015 8.1187 8.6537 8.6659 9.9136 9.9383 11.7980 11.8789 12.2855 12.3226 14.8083 14.8190 16.7783 16.8230 17.2914 17.3438 k = 0.0000 0.0564 0.2861 ( 2680 PWs) bands (ev): 0.2698 0.2699 4.6108 4.6121 5.9153 5.9687 6.0277 6.0441 6.1415 6.1669 6.3896 6.4547 6.5742 6.5859 6.9419 6.9635 7.1200 7.2518 7.4115 7.4305 7.4409 7.4735 7.5492 7.5691 7.6639 7.6943 7.7022 7.7874 7.8585 7.9027 8.1030 8.1173 8.6633 8.6736 10.0338 10.0589 11.8281 11.9171 12.2439 12.2913 14.6281 14.6376 16.7547 16.7928 17.2643 17.3144 k = 0.0000 0.0470 0.2861 ( 2682 PWs) bands (ev): 0.2625 0.2626 4.5969 4.5980 5.9238 5.9626 6.0533 6.0534 6.1438 6.1722 6.3835 6.4388 6.5677 6.5774 6.9426 6.9602 7.1391 7.2501 7.4125 7.4319 7.4506 7.4812 7.5545 7.5793 7.6526 7.6855 7.7017 7.7754 7.8610 7.8989 8.1043 8.1161 8.6717 8.6801 10.1584 10.1837 11.7371 11.8008 12.3614 12.3858 14.4469 14.4548 16.7350 16.7666 17.2424 17.2873 k = 0.0000 0.0376 0.2861 ( 2676 PWs) bands (ev): 0.2565 0.2566 4.5854 4.5863 5.9292 5.9568 6.0635 6.0735 6.1493 6.1779 6.3776 6.4228 6.5624 6.5701 6.9435 6.9573 7.1574 7.2469 7.4136 7.4309 7.4613 7.4880 7.5597 7.5882 7.6426 7.6764 7.7026 7.7637 7.8641 7.8950 8.1056 8.1148 8.6787 8.6854 10.2865 10.3118 11.5974 11.6449 12.5218 12.5327 14.2677 14.2740 16.7194 16.7444 17.2256 17.2635 k = 0.0000 0.0282 0.2861 ( 2680 PWs) bands (ev): 0.2518 0.2519 4.5765 4.5771 5.9326 5.9516 6.0729 6.0863 6.1585 6.1835 6.3725 6.4071 6.5583 6.5640 6.9444 6.9546 7.1745 7.2421 7.4150 7.4288 7.4715 7.4931 7.5651 7.5946 7.6350 7.6672 7.7051 7.7523 7.8675 7.8911 8.1068 8.1137 8.6843 8.6893 10.4159 10.4408 11.4487 11.4870 12.6856 12.6904 14.0952 14.0998 16.7078 16.7265 17.2140 17.2433 k = 0.0000 0.0188 0.2861 ( 2684 PWs) bands (ev): 0.2485 0.2485 4.5701 4.5705 5.9353 5.9471 6.0810 6.0922 6.1700 6.1879 6.3693 6.3929 6.5555 6.5593 6.9456 6.9522 7.1903 7.2355 7.4167 7.4263 7.4806 7.4959 7.5712 7.5960 7.6325 7.6582 7.7093 7.7415 7.8712 7.8870 8.1080 8.1125 8.6886 8.6919 10.5420 10.5651 11.3076 11.3385 12.8374 12.8393 13.9387 13.9416 16.7003 16.7127 17.2073 17.2273 k = 0.0000 0.0094 0.2861 ( 2680 PWs) bands (ev): 0.2464 0.2465 4.5663 4.5665 5.9377 5.9434 6.0873 6.0934 6.1805 6.1896 6.3692 6.3812 6.5543 6.5562 6.9469 6.9502 7.2044 7.2271 7.4187 7.4237 7.4880 7.4960 7.5779 7.5919 7.6356 7.6498 7.7152 7.7315 7.8751 7.8831 8.1092 8.1114 8.6915 8.6932 10.6518 10.6685 11.1939 11.2142 12.9558 12.9565 13.8179 13.8194 16.6971 16.7033 17.2054 17.2155 k = 0.0000 0.0000 0.2861 ( 2674 PWs) bands (ev): 0.2458 0.2458 4.5651 4.5651 5.9403 5.9403 6.0915 6.0915 6.1873 6.1873 6.3731 6.3731 6.5545 6.5545 6.9485 6.9485 7.2167 7.2167 7.4211 7.4211 7.4933 7.4933 7.5852 7.5852 7.6420 7.6420 7.7227 7.7227 7.8791 7.8791 8.1103 8.1103 8.6930 8.6930 10.7082 10.7082 11.1518 11.1518 13.0040 13.0040 13.7697 13.7697 16.6980 16.6980 17.2082 17.2082 k = 0.0000 0.3102-0.0000 ( 2680 PWs) bands (ev): 0.3054 0.3054 4.8217 4.8217 5.8467 5.8467 5.9612 5.9612 6.3184 6.3184 6.3734 6.3734 6.5748 6.5748 6.9040 6.9040 7.3388 7.3388 7.4111 7.4111 7.4584 7.4584 7.5884 7.5884 7.8007 7.8007 7.9731 7.9731 8.2067 8.2067 8.3470 8.3470 8.6649 8.6649 8.8218 8.8218 11.1511 11.1511 11.4186 11.4186 14.2125 14.2125 17.3376 17.3376 18.5570 18.5570 k = 0.0000 0.3102 0.0092 ( 2678 PWs) bands (ev): 0.3060 0.3060 4.8226 4.8226 5.8464 5.8464 5.9616 5.9616 6.3178 6.3178 6.3732 6.3732 6.5762 6.5762 6.9041 6.9041 7.3385 7.3385 7.4084 7.4084 7.4538 7.4538 7.5885 7.5885 7.8047 7.8047 7.9738 7.9738 8.2066 8.2066 8.3466 8.3466 8.6636 8.6636 8.8178 8.8178 11.1398 11.1398 11.4303 11.4303 14.2257 14.2257 17.3387 17.3387 18.5578 18.5578 k = 0.0000 0.3102 0.0185 ( 2674 PWs) bands (ev): 0.3079 0.3079 4.8251 4.8251 5.8455 5.8455 5.9628 5.9628 6.3163 6.3163 6.3726 6.3726 6.5804 6.5804 6.9046 6.9046 7.3377 7.3377 7.3981 7.3981 7.4432 7.4432 7.5890 7.5890 7.8159 7.8159 7.9761 7.9761 8.2062 8.2062 8.3454 8.3454 8.6598 8.6598 8.8061 8.8061 11.1067 11.1067 11.4650 11.4650 14.2647 14.2647 17.3420 17.3420 18.5602 18.5602 k = 0.0000 0.3102 0.0277 ( 2672 PWs) bands (ev): 0.3112 0.3112 4.8293 4.8293 5.8438 5.8438 5.9646 5.9646 6.3138 6.3138 6.3717 6.3717 6.5871 6.5871 6.9052 6.9052 7.3355 7.3355 7.3763 7.3763 7.4337 7.4337 7.5902 7.5902 7.8312 7.8312 7.9800 7.9800 8.2056 8.2056 8.3434 8.3434 8.6532 8.6532 8.7879 8.7879 11.0536 11.0536 11.5215 11.5215 14.3279 14.3279 17.3474 17.3474 18.5642 18.5642 k = 0.0000 0.3102 0.0369 ( 2668 PWs) bands (ev): 0.3156 0.3156 4.8352 4.8352 5.8414 5.8414 5.9673 5.9673 6.3107 6.3107 6.3706 6.3706 6.5960 6.5960 6.9059 6.9059 7.3255 7.3255 7.3500 7.3500 7.4275 7.4275 7.5924 7.5924 7.8480 7.8480 7.9858 7.9858 8.2049 8.2049 8.3406 8.3406 8.6432 8.6432 8.7651 8.7651 10.9831 10.9831 11.5980 11.5980 14.4127 14.4127 17.3551 17.3551 18.5699 18.5699 k = 0.0000 0.3102 0.0461 ( 2664 PWs) bands (ev): 0.3213 0.3213 4.8426 4.8426 5.8381 5.8381 5.9708 5.9708 6.3072 6.3072 6.3693 6.3693 6.6064 6.6064 6.9065 6.9065 7.2904 7.2904 7.3409 7.3409 7.4230 7.4230 7.5953 7.5953 7.8640 7.8640 7.9937 7.9937 8.2040 8.2040 8.3370 8.3370 8.6294 8.6294 8.7400 8.7400 10.8979 10.8979 11.6930 11.6930 14.5165 14.5165 17.3648 17.3648 18.5772 18.5772 k = 0.0000 0.3102 0.0554 ( 2660 PWs) bands (ev): 0.3281 0.3281 4.8515 4.8515 5.8339 5.8339 5.9750 5.9750 6.3036 6.3036 6.3679 6.3679 6.6180 6.6180 6.9066 6.9066 7.2444 7.2444 7.3383 7.3383 7.4191 7.4191 7.5990 7.5990 7.8778 7.8778 8.0035 8.0035 8.2032 8.2032 8.3326 8.3326 8.6109 8.6109 8.7149 8.7149 10.8008 10.8008 11.8045 11.8045 14.6362 14.6362 17.3767 17.3767 18.5863 18.5863 k = 0.0000 0.3102 0.0646 ( 2658 PWs) bands (ev): 0.3361 0.3361 4.8617 4.8617 5.8284 5.8284 5.9802 5.9802 6.3002 6.3002 6.3665 6.3665 6.6303 6.6303 6.9056 6.9056 7.1955 7.1955 7.3366 7.3366 7.4154 7.4154 7.6032 7.6032 7.8891 7.8891 8.0146 8.0146 8.2025 8.2025 8.3275 8.3275 8.5875 8.5875 8.6917 8.6917 10.6942 10.6942 11.9307 11.9307 14.7692 14.7692 17.3905 17.3905 18.5973 18.5973 k = 0.0000 0.3102 0.0738 ( 2666 PWs) bands (ev): 0.3451 0.3451 4.8732 4.8732 5.8217 5.8217 5.9862 5.9862 6.2973 6.2973 6.3650 6.3650 6.6426 6.6426 6.9026 6.9026 7.1471 7.1471 7.3351 7.3351 7.4118 7.4118 7.6079 7.6079 7.8977 7.8977 8.0260 8.0260 8.2020 8.2020 8.3216 8.3216 8.5601 8.5601 8.6709 8.6709 10.5805 10.5805 12.0700 12.0700 14.9131 14.9131 17.4063 17.4063 18.6101 18.6101 k = 0.0000 0.3102 0.0831 ( 2662 PWs) bands (ev): 0.3552 0.3552 4.8858 4.8858 5.8134 5.8134 5.9931 5.9931 6.2951 6.2951 6.3634 6.3634 6.6543 6.6543 6.8962 6.8962 7.1024 7.1024 7.3339 7.3339 7.4085 7.4085 7.6129 7.6129 7.9044 7.9044 8.0365 8.0365 8.2021 8.2021 8.3149 8.3149 8.5306 8.5306 8.6521 8.6521 10.4615 10.4615 12.2210 12.2210 15.0657 15.0657 17.4240 17.4240 18.6251 18.6251 k = 0.0000 0.3102 0.0923 ( 2658 PWs) bands (ev): 0.3661 0.3661 4.8994 4.8994 5.8033 5.8033 6.0010 6.0010 6.2939 6.2939 6.3618 6.3618 6.6643 6.6643 6.8844 6.8844 7.0651 7.0651 7.3329 7.3329 7.4054 7.4054 7.6182 7.6182 7.9096 7.9096 8.0451 8.0451 8.2027 8.2027 8.3074 8.3074 8.5009 8.5009 8.6345 8.6345 10.3390 10.3390 12.3822 12.3822 15.2251 15.2251 17.4436 17.4436 18.6422 18.6422 k = 0.0000 0.3102 0.1015 ( 2664 PWs) bands (ev): 0.3779 0.3779 4.9137 4.9137 5.7912 5.7912 6.0099 6.0099 6.2936 6.2936 6.3601 6.3601 6.6711 6.6711 6.8662 6.8662 7.0384 7.0384 7.3320 7.3320 7.4027 7.4027 7.6237 7.6237 7.9136 7.9136 8.0508 8.0508 8.2036 8.2036 8.2993 8.2993 8.4727 8.4727 8.6175 8.6175 10.2142 10.2142 12.5526 12.5526 15.3896 15.3896 17.4650 17.4650 18.6619 18.6619 k = 0.0000 0.3102 0.1108 ( 2664 PWs) bands (ev): 0.3903 0.3903 4.9286 4.9286 5.7770 5.7770 6.0197 6.0197 6.2944 6.2944 6.3584 6.3584 6.6724 6.6724 6.8445 6.8445 7.0227 7.0227 7.3314 7.3314 7.4005 7.4005 7.6293 7.6293 7.9169 7.9169 8.0532 8.0532 8.2044 8.2044 8.2906 8.2906 8.4473 8.4473 8.6007 8.6007 10.0885 10.0885 12.7312 12.7312 15.5575 15.5575 17.4881 17.4881 18.6842 18.6842 k = 0.0000 0.3102 0.1200 ( 2672 PWs) bands (ev): 0.4034 0.4034 4.9439 4.9439 5.7602 5.7602 6.0305 6.0305 6.2964 6.2964 6.3567 6.3567 6.6650 6.6650 6.8255 6.8255 7.0153 7.0153 7.3311 7.3311 7.3988 7.3988 7.6349 7.6349 7.9197 7.9197 8.0523 8.0523 8.2041 8.2041 8.2817 8.2817 8.4254 8.4254 8.5842 8.5842 9.9627 9.9627 12.9171 12.9171 15.7273 15.7273 17.5129 17.5129 18.7097 18.7097 k = 0.0000 0.3102 0.1292 ( 2676 PWs) bands (ev): 0.4171 0.4171 4.9595 4.9595 5.7408 5.7408 6.0422 6.0422 6.2994 6.2994 6.3553 6.3553 6.6477 6.6477 6.8143 6.8143 7.0133 7.0133 7.3310 7.3310 7.3977 7.3977 7.6406 7.6406 7.9222 7.9222 8.0483 8.0483 8.2013 8.2013 8.2735 8.2735 8.4076 8.4076 8.5679 8.5679 9.8379 9.8379 13.1096 13.1096 15.8975 15.8975 17.5395 17.5395 18.7386 18.7386 k = 0.0000 0.3102 0.1384 ( 2676 PWs) bands (ev): 0.4310 0.4310 4.9750 4.9750 5.7188 5.7188 6.0548 6.0548 6.3030 6.3030 6.3545 6.3545 6.6227 6.6227 6.8111 6.8111 7.0148 7.0148 7.3312 7.3312 7.3975 7.3975 7.6462 7.6462 7.9244 7.9244 8.0416 8.0416 8.1950 8.1950 8.2665 8.2665 8.3938 8.3938 8.5521 8.5521 9.7148 9.7148 13.3081 13.3081 16.0665 16.0665 17.5679 17.5679 18.7717 18.7717 k = 0.0000 0.3102 0.1477 ( 2678 PWs) bands (ev): 0.4452 0.4452 4.9903 4.9903 5.6942 5.6942 6.0681 6.0681 6.3069 6.3069 6.3548 6.3548 6.5944 6.5944 6.8133 6.8133 7.0184 7.0184 7.3317 7.3317 7.3979 7.3979 7.6517 7.6517 7.9265 7.9265 8.0328 8.0328 8.1847 8.1847 8.2609 8.2609 8.3836 8.3836 8.5371 8.5371 9.5941 9.5941 13.5121 13.5121 16.2324 16.2324 17.5981 17.5981 18.8095 18.8095 k = 0.0000 0.3102 0.1569 ( 2674 PWs) bands (ev): 0.4596 0.4596 5.0053 5.0053 5.6671 5.6671 6.0821 6.0821 6.3099 6.3099 6.3571 6.3571 6.5665 6.5665 6.8182 6.8182 7.0235 7.0235 7.3325 7.3325 7.3992 7.3992 7.6571 7.6571 7.9285 7.9285 8.0223 8.0223 8.1712 8.1712 8.2562 8.2562 8.3758 8.3758 8.5233 8.5233 9.4767 9.4767 13.7209 13.7209 16.3934 16.3934 17.6303 17.6303 18.8529 18.8529 k = 0.0000 0.3102 0.1661 ( 2674 PWs) bands (ev): 0.4738 0.4738 5.0196 5.0196 5.6380 5.6380 6.0964 6.0964 6.3114 6.3114 6.3623 6.3623 6.5408 6.5408 6.8245 6.8245 7.0296 7.0296 7.3334 7.3334 7.4012 7.4012 7.6623 7.6623 7.9305 7.9305 8.0106 8.0106 8.1553 8.1553 8.2518 8.2518 8.3694 8.3694 8.5112 8.5112 9.3633 9.3633 13.9341 13.9341 16.5473 16.5473 17.6646 17.6646 18.9029 18.9029 k = 0.0000 0.3102 0.1754 ( 2678 PWs) bands (ev): 0.4879 0.4879 5.0333 5.0333 5.6074 5.6074 6.1109 6.1109 6.3109 6.3109 6.3704 6.3704 6.5184 6.5184 6.8315 6.8315 7.0364 7.0364 7.3344 7.3344 7.4038 7.4038 7.6673 7.6673 7.9324 7.9324 7.9984 7.9984 8.1379 8.1379 8.2472 8.2472 8.3631 8.3631 8.5014 8.5014 9.2545 9.2545 14.1513 14.1513 16.6920 16.6920 17.7010 17.7010 18.9603 18.9603 k = 0.0000 0.3102 0.1846 ( 2668 PWs) bands (ev): 0.5016 0.5016 5.0461 5.0461 5.5758 5.5758 6.1254 6.1254 6.3089 6.3089 6.3809 6.3809 6.4999 6.4999 6.8389 6.8389 7.0438 7.0438 7.3355 7.3355 7.4069 7.4069 7.6720 7.6720 7.9342 7.9342 7.9860 7.9860 8.1196 8.1196 8.2425 8.2425 8.3559 8.3559 8.4940 8.4940 9.1513 9.1513 14.3720 14.3720 16.8252 16.8252 17.7397 17.7397 19.0262 19.0262 k = 0.0000 0.3102 0.1938 ( 2672 PWs) bands (ev): 0.5148 0.5148 5.0580 5.0580 5.5440 5.5440 6.1394 6.1394 6.3061 6.3061 6.3928 6.3928 6.4853 6.4853 6.8468 6.8468 7.0515 7.0515 7.3365 7.3365 7.4101 7.4101 7.6763 7.6763 7.9356 7.9356 7.9741 7.9741 8.1007 8.1007 8.2375 8.2375 8.3472 8.3472 8.4892 8.4892 9.0544 9.0544 14.5956 14.5956 16.9448 16.9448 17.7803 17.7803 19.1006 19.1006 k = 0.0000 0.3102 0.2031 ( 2676 PWs) bands (ev): 0.5273 0.5273 5.0688 5.0688 5.5127 5.5127 6.1529 6.1529 6.3029 6.3029 6.4046 6.4046 6.4750 6.4750 6.8552 6.8552 7.0595 7.0595 7.3373 7.3373 7.4134 7.4134 7.6801 7.6801 7.9358 7.9358 7.9635 7.9635 8.0816 8.0816 8.2324 8.2324 8.3372 8.3372 8.4866 8.4866 8.9647 8.9647 14.8216 14.8216 17.0495 17.0495 17.8221 17.8221 19.1795 19.1795 k = 0.0000 0.3102 0.2123 ( 2676 PWs) bands (ev): 0.5391 0.5391 5.0786 5.0786 5.4826 5.4826 6.1655 6.1655 6.2997 6.2997 6.4144 6.4144 6.4700 6.4700 6.8643 6.8643 7.0679 7.0679 7.3376 7.3376 7.4165 7.4165 7.6835 7.6835 7.9330 7.9330 7.9565 7.9565 8.0626 8.0626 8.2272 8.2272 8.3260 8.3260 8.4856 8.4856 8.8832 8.8832 15.0494 15.0494 17.1384 17.1384 17.8642 17.8642 19.1842 19.1842 k = 0.0000 0.3102 0.2215 ( 2676 PWs) bands (ev): 0.5498 0.5498 5.0871 5.0871 5.4544 5.4544 6.1769 6.1769 6.2968 6.2968 6.4200 6.4200 6.4711 6.4711 6.8742 6.8742 7.0767 7.0767 7.3372 7.3372 7.4192 7.4192 7.6862 7.6862 7.9259 7.9259 7.9542 7.9542 8.0444 8.0444 8.2219 8.2219 8.3141 8.3141 8.4856 8.4856 8.8107 8.8107 15.2780 15.2780 17.2119 17.2119 17.9048 17.9048 19.0057 19.0057 k = 0.0000 0.3102 0.2307 ( 2664 PWs) bands (ev): 0.5594 0.5594 5.0946 5.0946 5.4287 5.4287 6.1871 6.1871 6.2943 6.2943 6.4213 6.4213 6.4776 6.4776 6.8848 6.8848 7.0861 7.0861 7.3357 7.3357 7.4214 7.4214 7.6883 7.6883 7.9165 7.9165 7.9548 7.9548 8.0276 8.0276 8.2166 8.2166 8.3022 8.3022 8.4860 8.4860 8.7481 8.7481 15.5062 15.5062 17.2708 17.2708 17.9421 17.9421 18.7858 18.7858 k = 0.0000 0.3102 0.2400 ( 2664 PWs) bands (ev): 0.5678 0.5678 5.1009 5.1009 5.4060 5.4060 6.1959 6.1959 6.2923 6.2923 6.4202 6.4202 6.4865 6.4865 6.8957 6.8957 7.0960 7.0960 7.3328 7.3328 7.4229 7.4229 7.6897 7.6897 7.9067 7.9067 7.9561 7.9561 8.0129 8.0129 8.2113 8.2113 8.2908 8.2908 8.4862 8.4862 8.6959 8.6959 15.7319 15.7319 17.3163 17.3163 17.9739 17.9739 18.5605 18.5605 k = 0.0000 0.3102 0.2492 ( 2668 PWs) bands (ev): 0.5748 0.5748 5.1060 5.1060 5.3868 5.3868 6.2031 6.2031 6.2908 6.2908 6.4184 6.4184 6.4953 6.4953 6.9063 6.9063 7.1064 7.1064 7.3284 7.3284 7.4239 7.4239 7.6904 7.6904 7.8975 7.8975 7.9570 7.9570 8.0013 8.0013 8.2061 8.2061 8.2804 8.2804 8.4859 8.4859 8.6544 8.6544 15.9520 15.9520 17.3495 17.3495 17.9961 17.9961 18.3441 18.3441 k = 0.0000 0.3102 0.2584 ( 2668 PWs) bands (ev): 0.5804 0.5804 5.1099 5.1099 5.3716 5.3716 6.2087 6.2087 6.2898 6.2898 6.4167 6.4167 6.5028 6.5028 6.9157 6.9157 7.1168 7.1168 7.3229 7.3229 7.4244 7.4244 7.6906 7.6906 7.8895 7.8895 7.9568 7.9568 7.9935 7.9935 8.2013 8.2013 8.2717 8.2717 8.4850 8.4850 8.6237 8.6237 16.1604 16.1604 17.3705 17.3705 17.9916 17.9916 18.1627 18.1627 k = 0.0000 0.3102 0.2677 ( 2670 PWs) bands (ev): 0.5844 0.5844 5.1127 5.1127 5.3604 5.3604 6.2127 6.2127 6.2892 6.2892 6.4154 6.4154 6.5084 6.5084 6.9231 6.9231 7.1263 7.1263 7.3170 7.3170 7.4246 7.4246 7.6904 7.6904 7.8834 7.8834 7.9556 7.9556 7.9893 7.9893 8.1973 8.1973 8.2652 8.2652 8.4835 8.4835 8.6029 8.6029 16.3454 16.3454 17.3785 17.3785 17.9005 17.9005 18.0907 18.0907 k = 0.0000 0.3102 0.2769 ( 2656 PWs) bands (ev): 0.5869 0.5869 5.1144 5.1144 5.3537 5.3537 6.2152 6.2152 6.2889 6.2889 6.4147 6.4147 6.5119 6.5119 6.9279 6.9279 7.1332 7.1332 7.3124 7.3124 7.4248 7.4248 7.6902 7.6902 7.8795 7.8795 7.9543 7.9543 7.9876 7.9876 8.1947 8.1947 8.2613 8.2613 8.4822 8.4822 8.5913 8.5913 16.4835 16.4835 17.3741 17.3741 17.7905 17.7905 18.0847 18.0847 k = 0.0000 0.3102 0.2861 ( 2652 PWs) bands (ev): 0.5877 0.5877 5.1150 5.1150 5.3514 5.3514 6.2160 6.2160 6.2889 6.2889 6.4144 6.4144 6.5131 6.5131 6.9296 6.9296 7.1358 7.1358 7.3106 7.3106 7.4248 7.4248 7.6901 7.6901 7.8782 7.8782 7.9537 7.9537 7.9872 7.9872 8.1938 8.1938 8.2599 8.2599 8.4817 8.4817 8.5875 8.5875 16.5372 16.5372 17.3685 17.3685 17.7479 17.7479 18.0851 18.0851 k = 0.5000-0.0000 0.2861 ( 2664 PWs) bands (ev): 3.1312 3.1312 5.3074 5.3074 5.7103 5.7103 5.9201 5.9201 5.9729 5.9729 6.4019 6.4019 6.7217 6.7217 6.9177 6.9177 7.1435 7.1435 7.3731 7.3731 7.5692 7.5692 7.8616 7.8616 7.9523 7.9523 8.2573 8.2573 8.5778 8.5778 8.6650 8.6650 9.0470 9.0470 10.3331 10.3331 11.5033 11.5033 13.3763 13.3763 14.5387 14.5387 15.9390 15.9390 16.0988 16.0988 k = 0.5000-0.0000 0.2769 ( 2664 PWs) bands (ev): 3.1317 3.1317 5.3058 5.3058 5.7106 5.7106 5.9205 5.9205 5.9733 5.9733 6.4018 6.4018 6.7216 6.7216 6.9169 6.9169 7.1404 7.1404 7.3751 7.3751 7.5692 7.5692 7.8612 7.8612 7.9538 7.9538 8.2570 8.2570 8.5770 8.5770 8.6645 8.6645 9.0468 9.0468 10.3372 10.3372 11.5060 11.5060 13.3764 13.3764 14.5362 14.5362 15.9380 15.9380 16.0968 16.0968 k = 0.5000-0.0000 0.2677 ( 2672 PWs) bands (ev): 3.1332 3.1332 5.3009 5.3009 5.7115 5.7115 5.9218 5.9218 5.9744 5.9744 6.4016 6.4016 6.7212 6.7212 6.9143 6.9143 7.1313 7.1313 7.3809 7.3809 7.5693 7.5693 7.8602 7.8602 7.9580 7.9580 8.2561 8.2561 8.5745 8.5745 8.6629 8.6629 9.0461 9.0461 10.3497 10.3497 11.5141 11.5141 13.3770 13.3770 14.5287 14.5287 15.9350 15.9350 16.0907 16.0907 k = 0.5000-0.0000 0.2584 ( 2676 PWs) bands (ev): 3.1357 3.1357 5.2929 5.2929 5.7130 5.7130 5.9240 5.9240 5.9764 5.9764 6.4013 6.4013 6.7206 6.7206 6.9097 6.9097 7.1174 7.1174 7.3897 7.3897 7.5697 7.5697 7.8587 7.8587 7.9645 7.9645 8.2547 8.2547 8.5705 8.5705 8.6604 8.6604 9.0450 9.0450 10.3703 10.3703 11.5277 11.5277 13.3778 13.3778 14.5166 14.5166 15.9300 15.9300 16.0807 16.0807 k = 0.5000-0.0000 0.2492 ( 2672 PWs) bands (ev): 3.1391 3.1391 5.2819 5.2819 5.7151 5.7151 5.9271 5.9271 5.9793 5.9793 6.4009 6.4009 6.7198 6.7198 6.9022 6.9022 7.1006 7.1006 7.4008 7.4008 7.5707 7.5707 7.8570 7.8570 7.9726 7.9726 8.2526 8.2526 8.5648 8.5648 8.6571 8.6571 9.0438 9.0438 10.3991 10.3991 11.5467 11.5467 13.3791 13.3791 14.5000 14.5000 15.9230 15.9230 16.0671 16.0671 k = 0.5000-0.0000 0.2400 ( 2668 PWs) bands (ev): 3.1436 3.1436 5.2680 5.2680 5.7178 5.7178 5.9310 5.9310 5.9832 5.9832 6.4004 6.4004 6.7188 6.7188 6.8909 6.8909 7.0828 7.0828 7.4132 7.4132 7.5727 7.5727 7.8550 7.8550 7.9814 7.9814 8.2500 8.2500 8.5575 8.5575 8.6531 8.6531 9.0425 9.0425 10.4357 10.4357 11.5709 11.5709 13.3806 13.3806 14.4793 14.4793 15.9140 15.9140 16.0501 16.0501 k = 0.5000-0.0000 0.2307 ( 2672 PWs) bands (ev): 3.1489 3.1489 5.2515 5.2515 5.7210 5.7210 5.9355 5.9355 5.9880 5.9880 6.3998 6.3998 6.7175 6.7175 6.8751 6.8751 7.0658 7.0658 7.4255 7.4255 7.5763 7.5763 7.8529 7.8529 7.9903 7.9903 8.2466 8.2466 8.5486 8.5486 8.6484 8.6484 9.0413 9.0413 10.4800 10.4800 11.6005 11.6005 13.3824 13.3824 14.4551 14.4551 15.9029 15.9029 16.0301 16.0301 k = 0.5000-0.0000 0.2215 ( 2686 PWs) bands (ev): 3.1551 3.1551 5.2326 5.2326 5.7247 5.7247 5.9406 5.9406 5.9939 5.9939 6.3990 6.3990 6.7159 6.7159 6.8541 6.8541 7.0513 7.0513 7.4366 7.4366 7.5823 7.5823 7.8505 7.8505 7.9986 7.9986 8.2425 8.2425 8.5381 8.5381 8.6430 8.6430 9.0405 9.0405 10.5316 10.5316 11.6353 11.6353 13.3845 13.3845 14.4277 14.4277 15.8898 15.8898 16.0074 16.0074 k = 0.5000-0.0000 0.2123 ( 2684 PWs) bands (ev): 3.1622 3.1622 5.2116 5.2116 5.7290 5.7290 5.9461 5.9461 6.0010 6.0010 6.3983 6.3983 6.7140 6.7140 6.8286 6.8286 7.0400 7.0400 7.4453 7.4453 7.5912 7.5912 7.8479 7.8479 8.0061 8.0061 8.2378 8.2378 8.5265 8.5265 8.6372 8.6372 9.0403 9.0403 10.5903 10.5903 11.6753 11.6753 13.3868 13.3868 14.3976 14.3976 15.8747 15.8747 15.9824 15.9824 k = 0.5000-0.0000 0.2031 ( 2684 PWs) bands (ev): 3.1701 3.1701 5.1888 5.1888 5.7338 5.7338 5.9517 5.9517 6.0092 6.0092 6.3976 6.3976 6.7116 6.7116 6.7997 6.7997 7.0317 7.0317 7.4508 7.4508 7.6032 7.6032 7.8449 7.8449 8.0122 8.0122 8.2323 8.2323 8.5140 8.5140 8.6308 8.6308 9.0408 9.0408 10.6557 10.6557 11.7204 11.7204 13.3894 13.3894 14.3652 14.3652 15.8574 15.8574 15.9554 15.9554 k = 0.5000-0.0000 0.1938 ( 2676 PWs) bands (ev): 3.1787 3.1787 5.1646 5.1646 5.7390 5.7390 5.9572 5.9572 6.0188 6.0188 6.3969 6.3969 6.7080 6.7080 6.7693 6.7693 7.0259 7.0259 7.4530 7.4530 7.6181 7.6181 7.8416 7.8416 8.0168 8.0168 8.2260 8.2260 8.5010 8.5010 8.6239 8.6239 9.0424 9.0424 10.7274 10.7274 11.7704 11.7704 13.3922 13.3922 14.3309 14.3309 15.8379 15.8379 15.9268 15.9268 k = 0.5000-0.0000 0.1846 ( 2678 PWs) bands (ev): 3.1881 3.1881 5.1393 5.1393 5.7447 5.7447 5.9617 5.9617 6.0296 6.0296 6.3962 6.3962 6.7014 6.7014 6.7410 6.7410 7.0220 7.0220 7.4522 7.4522 7.6348 7.6348 7.8376 7.8376 8.0196 8.0196 8.2190 8.2190 8.4877 8.4877 8.6166 8.6166 9.0450 9.0450 10.8050 10.8050 11.8255 11.8255 13.3951 13.3951 14.2948 14.2948 15.8159 15.8159 15.8969 15.8969 k = 0.5000-0.0000 0.1754 ( 2682 PWs) bands (ev): 3.1980 3.1980 5.1132 5.1132 5.7507 5.7507 5.9650 5.9650 6.0417 6.0417 6.3955 6.3955 6.6863 6.6863 6.7214 6.7214 7.0195 7.0195 7.4489 7.4489 7.6525 7.6525 7.8330 7.8330 8.0204 8.0204 8.2114 8.2114 8.4747 8.4747 8.6089 8.6089 9.0487 9.0487 10.8881 10.8881 11.8854 11.8854 13.3981 13.3981 14.2573 14.2573 15.7913 15.7913 15.8662 15.8662 k = 0.5000-0.0000 0.1661 ( 2674 PWs) bands (ev): 3.2084 3.2084 5.0867 5.0867 5.7570 5.7570 5.9665 5.9665 6.0553 6.0553 6.3949 6.3949 6.6624 6.6624 6.7124 6.7124 7.0181 7.0181 7.4436 7.4436 7.6702 7.6702 7.8276 7.8276 8.0193 8.0193 8.2033 8.2033 8.4624 8.4624 8.6009 8.6009 9.0536 9.0536 10.9762 10.9762 11.9501 11.9501 13.4012 13.4012 14.2184 14.2184 15.7634 15.7634 15.8351 15.8351 k = 0.5000-0.0000 0.1569 ( 2672 PWs) bands (ev): 3.2193 3.2193 5.0601 5.0601 5.7636 5.7636 5.9655 5.9655 6.0701 6.0701 6.3942 6.3942 6.6374 6.6374 6.7072 6.7072 7.0176 7.0176 7.4366 7.4366 7.6872 7.6872 7.8213 7.8213 8.0161 8.0161 8.1948 8.1948 8.4512 8.4512 8.5928 8.5928 9.0597 9.0597 11.0689 11.0689 12.0195 12.0195 13.4043 13.4043 14.1783 14.1783 15.7318 15.7318 15.8041 15.8041 k = 0.5000-0.0000 0.1477 ( 2670 PWs) bands (ev): 3.2306 3.2306 5.0336 5.0336 5.7703 5.7703 5.9618 5.9618 6.0862 6.0862 6.3935 6.3935 6.6151 6.6151 6.7030 6.7030 7.0176 7.0176 7.4282 7.4282 7.7028 7.7028 7.8140 7.8140 8.0110 8.0110 8.1862 8.1862 8.4412 8.4412 8.5847 8.5847 9.0668 9.0668 11.1659 11.1659 12.0934 12.0934 13.4073 13.4073 14.1368 14.1368 15.6956 15.6956 15.7738 15.7738 k = 0.5000-0.0000 0.1384 ( 2670 PWs) bands (ev): 3.2421 3.2421 5.0076 5.0076 5.7771 5.7771 5.9550 5.9550 6.1034 6.1034 6.3928 6.3928 6.5968 6.5968 6.6989 6.6989 7.0181 7.0181 7.4188 7.4188 7.7168 7.7168 7.8055 7.8055 8.0039 8.0039 8.1777 8.1777 8.4328 8.4328 8.5766 8.5766 9.0750 9.0750 11.2666 11.2666 12.1716 12.1716 13.4103 13.4103 14.0941 14.0941 15.6543 15.6543 15.7445 15.7445 k = 0.5000-0.0000 0.1292 ( 2670 PWs) bands (ev): 3.2537 3.2537 4.9823 4.9823 5.7839 5.7839 5.9451 5.9451 6.1215 6.1215 6.3920 6.3920 6.5832 6.5832 6.6947 6.6947 7.0189 7.0189 7.4083 7.4083 7.7287 7.7287 7.7959 7.7959 7.9954 7.9954 8.1694 8.1694 8.4260 8.4260 8.5687 8.5687 9.0839 9.0839 11.3707 11.3707 12.2541 12.2541 13.4131 13.4131 14.0498 14.0498 15.6072 15.6072 15.7162 15.7162 k = 0.5000-0.0000 0.1200 ( 2674 PWs) bands (ev): 3.2654 3.2654 4.9578 4.9578 5.7906 5.7906 5.9325 5.9325 6.1403 6.1403 6.3911 6.3911 6.5745 6.5745 6.6905 6.6905 7.0199 7.0199 7.3971 7.3971 7.7382 7.7382 7.7852 7.7852 7.9855 7.9855 8.1615 8.1615 8.4209 8.4209 8.5611 8.5611 9.0934 9.0934 11.4778 11.4778 12.3404 12.3404 13.4157 13.4157 14.0040 14.0040 15.5539 15.5539 15.6890 15.6890 k = 0.5000-0.0000 0.1108 ( 2672 PWs) bands (ev): 3.2770 3.2770 4.9345 4.9345 5.7969 5.7969 5.9175 5.9175 6.1597 6.1597 6.3901 6.3901 6.5704 6.5704 6.6863 6.6863 7.0211 7.0211 7.3852 7.3852 7.7446 7.7446 7.7744 7.7744 7.9751 7.9751 8.1543 8.1543 8.4173 8.4173 8.5539 8.5539 9.1034 9.1034 11.5874 11.5874 12.4302 12.4302 13.4180 13.4180 13.9564 13.9564 15.4940 15.4940 15.6628 15.6628 k = 0.5000-0.0000 0.1015 ( 2668 PWs) bands (ev): 3.2883 3.2883 4.9125 4.9125 5.8027 5.8027 5.9010 5.9010 6.1793 6.1793 6.3892 6.3892 6.5704 6.5704 6.6821 6.6821 7.0223 7.0223 7.3729 7.3729 7.7450 7.7450 7.7663 7.7663 7.9644 7.9644 8.1476 8.1476 8.4151 8.4151 8.5471 8.5471 9.1135 9.1135 11.6991 11.6991 12.5231 12.5231 13.4198 13.4198 13.9068 13.9068 15.4271 15.4271 15.6376 15.6376 k = 0.5000-0.0000 0.0923 ( 2672 PWs) bands (ev): 3.2993 3.2993 4.8918 4.8918 5.8073 5.8073 5.8841 5.8841 6.1989 6.1989 6.3883 6.3883 6.5738 6.5738 6.6779 6.6779 7.0236 7.0236 7.3604 7.3604 7.7359 7.7359 7.7647 7.7647 7.9540 7.9540 8.1414 8.1414 8.4142 8.4142 8.5408 8.5408 9.1237 9.1237 11.8124 11.8124 12.6184 12.6184 13.4209 13.4209 13.8554 13.8554 15.3531 15.3531 15.6133 15.6133 k = 0.5000-0.0000 0.0831 ( 2668 PWs) bands (ev): 3.3097 3.3097 4.8728 4.8728 5.8098 5.8098 5.8686 5.8686 6.2182 6.2182 6.3875 6.3875 6.5799 6.5799 6.6739 6.6739 7.0247 7.0247 7.3479 7.3479 7.7217 7.7217 7.7656 7.7656 7.9443 7.9443 8.1358 8.1358 8.4142 8.4142 8.5350 8.5350 9.1336 9.1336 11.9270 11.9270 12.7152 12.7152 13.4211 13.4211 13.8022 13.8022 15.2723 15.2723 15.5899 15.5899 k = 0.5000-0.0000 0.0738 ( 2672 PWs) bands (ev): 3.3196 3.3196 4.8555 4.8555 5.8082 5.8082 5.8569 5.8569 6.2369 6.2369 6.3867 6.3867 6.5877 6.5877 6.6702 6.6702 7.0257 7.0257 7.3356 7.3356 7.7059 7.7059 7.7663 7.7663 7.9357 7.9357 8.1306 8.1306 8.4150 8.4150 8.5296 8.5296 9.1431 9.1431 12.0423 12.0423 12.8120 12.8120 13.4199 13.4199 13.7480 13.7480 15.1853 15.1853 15.5673 15.5673 k = 0.5000-0.0000 0.0646 ( 2672 PWs) bands (ev): 3.3286 3.3286 4.8399 4.8399 5.8009 5.8009 5.8513 5.8513 6.2546 6.2546 6.3861 6.3861 6.5966 6.5966 6.6668 6.6668 7.0266 7.0266 7.3239 7.3239 7.6896 7.6896 7.7662 7.7662 7.9284 7.9284 8.1261 8.1261 8.4162 8.4162 8.5249 8.5249 9.1520 9.1520 12.1578 12.1578 12.9066 12.9066 13.4165 13.4165 13.6943 13.6943 15.0935 15.0935 15.5454 15.5454 k = 0.5000-0.0000 0.0554 ( 2688 PWs) bands (ev): 3.3368 3.3368 4.8263 4.8263 5.7893 5.7893 5.8506 5.8506 6.2708 6.2708 6.3856 6.3856 6.6055 6.6055 6.6639 6.6639 7.0272 7.0272 7.3128 7.3128 7.6736 7.6736 7.7655 7.7655 7.9222 7.9222 8.1220 8.1220 8.4178 8.4178 8.5206 8.5206 9.1600 9.1600 12.2729 12.2729 12.9953 12.9953 13.4101 13.4101 13.6442 13.6442 14.9988 14.9988 15.5242 15.5242 k = 0.5000-0.0000 0.0461 ( 2688 PWs) bands (ev): 3.3439 3.3439 4.8146 4.8146 5.7769 5.7769 5.8521 5.8521 6.2854 6.2854 6.3854 6.3854 6.6142 6.6142 6.6616 6.6616 7.0277 7.0277 7.3029 7.3029 7.6587 7.6587 7.7643 7.7643 7.9173 7.9173 8.1186 8.1186 8.4195 8.4195 8.5170 8.5170 9.1672 9.1672 12.3870 12.3870 13.0706 13.0706 13.4008 13.4008 13.6029 13.6029 14.9039 14.9039 15.5037 15.5037 k = 0.5000-0.0000 0.0369 ( 2704 PWs) bands (ev): 3.3499 3.3499 4.8050 4.8050 5.7653 5.7653 5.8542 5.8542 6.2979 6.2979 6.3852 6.3852 6.6217 6.6217 6.6599 6.6599 7.0281 7.0281 7.2944 7.2944 7.6454 7.6454 7.7630 7.7630 7.9135 7.9135 8.1157 8.1157 8.4211 8.4211 8.5139 8.5139 9.1731 9.1731 12.4992 12.4992 13.1187 13.1187 13.3939 13.3939 13.5763 13.5763 14.8126 14.8126 15.4846 15.4846 k = 0.5000-0.0000 0.0277 ( 2704 PWs) bands (ev): 3.3547 3.3547 4.7974 4.7974 5.7557 5.7557 5.8563 5.8563 6.3079 6.3079 6.3852 6.3852 6.6277 6.6277 6.6590 6.6590 7.0284 7.0284 7.2875 7.2875 7.6344 7.6344 7.7618 7.7618 7.9108 7.9108 8.1134 8.1134 8.4225 8.4225 8.5116 8.5116 9.1779 9.1779 12.6085 12.6085 13.1226 13.1226 13.3994 13.3994 13.5674 13.5674 14.7298 14.7298 15.4677 15.4677 k = 0.5000-0.0000 0.0185 ( 2704 PWs) bands (ev): 3.3582 3.3582 4.7920 4.7920 5.7485 5.7485 5.8579 5.8579 6.3153 6.3153 6.3853 6.3853 6.6318 6.6318 6.6588 6.6588 7.0285 7.0285 7.2824 7.2824 7.6261 7.6261 7.7608 7.7608 7.9089 7.9089 8.1118 8.1118 8.4236 8.4236 8.5098 8.5098 9.1814 9.1814 12.7131 12.7131 13.0836 13.0836 13.4144 13.4144 13.5739 13.5739 14.6620 14.6620 15.4544 15.4544 k = 0.5000-0.0000 0.0092 ( 2708 PWs) bands (ev): 3.3603 3.3603 4.7888 4.7888 5.7441 5.7441 5.8590 5.8590 6.3198 6.3198 6.3854 6.3854 6.6342 6.6342 6.6590 6.6590 7.0286 7.0286 7.2793 7.2793 7.6210 7.6210 7.7601 7.7601 7.9077 7.9077 8.1108 8.1108 8.4243 8.4243 8.5088 8.5088 9.1835 9.1835 12.8083 12.8083 13.0210 13.0210 13.4259 13.4259 13.5865 13.5865 14.6165 14.6165 15.4459 15.4459 k = 0.5000-0.0000-0.0000 ( 2708 PWs) bands (ev): 3.3610 3.3610 4.7877 4.7877 5.7426 5.7426 5.8594 5.8594 6.3213 6.3213 6.3854 6.3854 6.6349 6.6349 6.6591 6.6591 7.0287 7.0287 7.2783 7.2783 7.6192 7.6192 7.7599 7.7599 7.9074 7.9074 8.1104 8.1104 8.4245 8.4245 8.5084 8.5084 9.1842 9.1842 12.8641 12.8641 12.9751 12.9751 13.4297 13.4297 13.5927 13.5927 14.6004 14.6004 15.4429 15.4429 k = 0.5000 0.3102-0.0000 ( 2696 PWs) bands (ev): 3.3025 3.3025 5.2668 5.2668 5.8037 5.8037 5.9553 5.9553 6.1903 6.1903 6.4546 6.4546 6.6202 6.6202 6.8261 6.8261 7.1769 7.1769 7.3699 7.3699 7.4483 7.4483 7.5788 7.5788 7.8911 7.8911 8.0915 8.0915 8.5696 8.5696 8.5843 8.5843 9.2280 9.2280 10.5883 10.5883 11.3604 11.3604 13.5246 13.5246 14.4541 14.4541 15.1915 15.1915 16.4272 16.4272 k = 0.5000 0.3102 0.0092 ( 2692 PWs) bands (ev): 3.3015 3.3015 5.2678 5.2678 5.8062 5.8062 5.9550 5.9550 6.1904 6.1904 6.4530 6.4530 6.6191 6.6191 6.8232 6.8232 7.1791 7.1791 7.3710 7.3710 7.4505 7.4505 7.5815 7.5815 7.8914 7.8914 8.0919 8.0919 8.5690 8.5690 8.5845 8.5845 9.2256 9.2256 10.5872 10.5872 11.3613 11.3613 13.4932 13.4932 14.4861 14.4861 15.1788 15.1788 16.4453 16.4453 k = 0.5000 0.3102 0.0185 ( 2692 PWs) bands (ev): 3.2984 3.2984 5.2707 5.2707 5.8134 5.8134 5.9540 5.9540 6.1908 6.1908 6.4483 6.4483 6.6159 6.6159 6.8147 6.8147 7.1853 7.1853 7.3744 7.3744 7.4570 7.4570 7.5896 7.5896 7.8923 7.8923 8.0931 8.0931 8.5672 8.5672 8.5849 8.5849 9.2186 9.2186 10.5841 10.5841 11.3639 11.3639 13.4095 13.4095 14.5710 14.5710 15.1437 15.1437 16.4959 16.4959 k = 0.5000 0.3102 0.0277 ( 2692 PWs) bands (ev): 3.2933 3.2933 5.2756 5.2756 5.8253 5.8253 5.9524 5.9524 6.1914 6.1914 6.4408 6.4408 6.6101 6.6101 6.8020 6.8020 7.1947 7.1947 7.3800 7.3800 7.4667 7.4667 7.6036 7.6036 7.8938 7.8938 8.0951 8.0951 8.5644 8.5644 8.5854 8.5854 9.2069 9.2069 10.5789 10.5789 11.3682 11.3682 13.2930 13.2930 14.6871 14.6871 15.0940 15.0940 16.5391 16.5391 k = 0.5000 0.3102 0.0369 ( 2700 PWs) bands (ev): 3.2864 3.2864 5.2823 5.2823 5.8414 5.8414 5.9504 5.9504 6.1924 6.1924 6.4309 6.4309 6.6014 6.6014 6.7867 6.7867 7.2063 7.2063 7.3875 7.3875 7.4788 7.4788 7.6239 7.6239 7.8959 7.8959 8.0979 8.0979 8.5605 8.5605 8.5861 8.5861 9.1909 9.1909 10.5716 10.5716 11.3743 11.3743 13.1583 13.1583 14.8076 14.8076 15.0479 15.0479 16.4495 16.4495 k = 0.5000 0.3102 0.0461 ( 2704 PWs) bands (ev): 3.2776 3.2776 5.2908 5.2908 5.8608 5.8608 5.9487 5.9487 6.1938 6.1938 6.4192 6.4192 6.5894 6.5894 6.7708 6.7708 7.2189 7.2189 7.3966 7.3966 7.4929 7.4929 7.6503 7.6503 7.8986 7.8986 8.1015 8.1015 8.5554 8.5554 8.5867 8.5867 9.1707 9.1707 10.5623 10.5623 11.3822 11.3822 13.0138 13.0138 14.8613 14.8613 15.0732 15.0732 16.3388 16.3388 k = 0.5000 0.3102 0.0554 ( 2704 PWs) bands (ev): 3.2673 3.2673 5.3011 5.3011 5.8813 5.8813 5.9494 5.9494 6.1957 6.1957 6.4064 6.4064 6.5738 6.5738 6.7558 6.7558 7.2315 7.2315 7.4068 7.4068 7.5093 7.5093 7.6822 7.6822 7.9019 7.9019 8.1058 8.1058 8.5491 8.5491 8.5874 8.5874 9.1467 9.1467 10.5510 10.5510 11.3918 11.3918 12.8643 12.8643 14.8158 14.8158 15.2016 15.2016 16.2292 16.2292 k = 0.5000 0.3102 0.0646 ( 2692 PWs) bands (ev): 3.2555 3.2555 5.3129 5.3129 5.8971 5.8971 5.9578 5.9578 6.1983 6.1983 6.3929 6.3929 6.5545 6.5545 6.7427 6.7427 7.2435 7.2435 7.4172 7.4172 7.5289 7.5289 7.7185 7.7185 7.9059 7.9059 8.1109 8.1109 8.5415 8.5415 8.5882 8.5882 9.1194 9.1194 10.5378 10.5378 11.4033 11.4033 12.7124 12.7124 14.7439 14.7439 15.3594 15.3594 16.1233 16.1233 k = 0.5000 0.3102 0.0738 ( 2692 PWs) bands (ev): 3.2425 3.2425 5.3262 5.3262 5.9022 5.9022 5.9796 5.9796 6.2017 6.2017 6.3793 6.3793 6.5320 6.5320 6.7319 6.7319 7.2544 7.2544 7.4271 7.4271 7.5523 7.5523 7.7580 7.7580 7.9105 7.9105 8.1167 8.1167 8.5321 8.5321 8.5890 8.5890 9.0892 9.0892 10.5226 10.5226 11.4166 11.4166 12.5596 12.5596 14.6672 14.6672 15.5238 15.5238 16.0230 16.0230 k = 0.5000 0.3102 0.0831 ( 2696 PWs) bands (ev): 3.2284 3.2284 5.3407 5.3407 5.8989 5.8989 6.0119 6.0119 6.2060 6.2060 6.3658 6.3658 6.5070 6.5070 6.7233 6.7233 7.2642 7.2642 7.4360 7.4360 7.5797 7.5797 7.7993 7.7993 7.9160 7.9160 8.1232 8.1232 8.5209 8.5209 8.5899 8.5899 9.0567 9.0567 10.5055 10.5055 11.4318 11.4318 12.4071 12.4071 14.5904 14.5904 15.6819 15.6819 15.9366 15.9366 k = 0.5000 0.3102 0.0923 ( 2692 PWs) bands (ev): 3.2135 3.2135 5.3564 5.3564 5.8917 5.8917 6.0501 6.0501 6.2114 6.2114 6.3529 6.3529 6.4807 6.4807 6.7167 6.7167 7.2729 7.2729 7.4440 7.4440 7.6106 7.6106 7.8409 7.8409 7.9231 7.9231 8.1305 8.1305 8.5073 8.5073 8.5911 8.5911 9.0228 9.0228 10.4867 10.4867 11.4489 11.4489 12.2556 12.2556 14.5156 14.5156 15.7587 15.7587 15.9280 15.9280 k = 0.5000 0.3102 0.1015 ( 2688 PWs) bands (ev): 3.1979 3.1979 5.3729 5.3729 5.8823 5.8823 6.0918 6.0918 6.2181 6.2181 6.3407 6.3407 6.4541 6.4541 6.7118 6.7118 7.2807 7.2807 7.4511 7.4511 7.6443 7.6443 7.8799 7.8799 7.9336 7.9336 8.1388 8.1388 8.4911 8.4911 8.5924 8.5924 8.9883 8.9883 10.4661 10.4661 11.4679 11.4679 12.1056 12.1056 14.4437 14.4437 15.6970 15.6970 15.8026 15.8026 k = 0.5000 0.3102 0.1108 ( 2692 PWs) bands (ev): 3.1819 3.1819 5.3901 5.3901 5.8714 5.8714 6.1356 6.1356 6.2262 6.2262 6.3291 6.3291 6.4281 6.4281 6.7084 6.7084 7.2878 7.2878 7.4577 7.4577 7.6797 7.6797 7.9091 7.9091 7.9538 7.9538 8.1481 8.1481 8.4719 8.4719 8.5940 8.5940 8.9540 8.9540 10.4439 10.4439 11.4888 11.4888 11.9577 11.9577 14.3751 14.3751 15.6105 15.6105 15.6647 15.6647 k = 0.5000 0.3102 0.1200 ( 2692 PWs) bands (ev): 3.1656 3.1656 5.4076 5.4076 5.8595 5.8595 6.1792 6.1792 6.2369 6.2369 6.3183 6.3183 6.4040 6.4040 6.7063 6.7063 7.2945 7.2945 7.4639 7.4639 7.7159 7.7159 7.9248 7.9248 7.9864 7.9864 8.1591 8.1591 8.4494 8.4494 8.5960 8.5960 8.9210 8.9210 10.4202 10.4202 11.5116 11.5116 11.8123 11.8123 14.3104 14.3104 15.5043 15.5043 15.5473 15.5473 k = 0.5000 0.3102 0.1292 ( 2692 PWs) bands (ev): 3.1493 3.1493 5.4253 5.4253 5.8467 5.8467 6.2158 6.2158 6.2549 6.2549 6.3083 6.3083 6.3834 6.3834 6.7057 6.7057 7.3010 7.3010 7.4698 7.4698 7.7517 7.7517 7.9351 7.9351 8.0221 8.0221 8.1723 8.1723 8.4238 8.4238 8.5985 8.5985 8.8901 8.8901 10.3951 10.3951 11.5357 11.5357 11.6703 11.6703 14.2495 14.2495 15.3720 15.3720 15.4605 15.4605 k = 0.5000 0.3102 0.1384 ( 2688 PWs) bands (ev): 3.1331 3.1331 5.4428 5.4428 5.8335 5.8335 6.2327 6.2327 6.2880 6.2880 6.3022 6.3022 6.3682 6.3682 6.7067 6.7067 7.3076 7.3076 7.4755 7.4755 7.7859 7.7859 7.9443 7.9443 8.0554 8.0554 8.1883 8.1883 8.3956 8.3956 8.6014 8.6014 8.8621 8.8621 10.3688 10.3688 11.5240 11.5240 11.5692 11.5692 14.1926 14.1926 15.2366 15.2366 15.3828 15.3828 k = 0.5000 0.3102 0.1477 ( 2688 PWs) bands (ev): 3.1171 3.1171 5.4600 5.4600 5.8200 5.8200 6.2339 6.2339 6.2935 6.2935 6.3353 6.3353 6.3607 6.3607 6.7094 6.7094 7.3143 7.3143 7.4810 7.4810 7.8169 7.8169 7.9535 7.9535 8.0838 8.0838 8.2073 8.2073 8.3664 8.3664 8.6049 8.6049 8.8373 8.8373 10.3414 10.3414 11.3918 11.3918 11.5939 11.5939 14.1397 14.1397 15.1030 15.1030 15.3101 15.3101 k = 0.5000 0.3102 0.1569 ( 2684 PWs) bands (ev): 3.1016 3.1016 5.4765 5.4765 5.8065 5.8065 6.2247 6.2247 6.2928 6.2928 6.3618 6.3618 6.3796 6.3796 6.7143 6.7143 7.3214 7.3214 7.4863 7.4863 7.8431 7.8431 7.9630 7.9630 8.1067 8.1067 8.2268 8.2268 8.3404 8.3404 8.6090 8.6090 8.8160 8.8160 10.3131 10.3131 11.2600 11.2600 11.6241 11.6241 14.0907 14.0907 14.9723 14.9723 15.2420 15.2420 k = 0.5000 0.3102 0.1661 ( 2684 PWs) bands (ev): 3.0865 3.0865 5.4921 5.4921 5.7930 5.7930 6.2094 6.2094 6.2926 6.2926 6.3730 6.3730 6.4213 6.4213 6.7219 6.7219 7.3290 7.3290 7.4912 7.4912 7.8627 7.8627 7.9722 7.9722 8.1249 8.1249 8.2387 8.2387 8.3268 8.3268 8.6139 8.6139 8.7980 8.7980 10.2841 10.2841 11.1322 11.1322 11.6562 11.6562 14.0457 14.0457 14.8453 14.8453 15.1784 15.1784 k = 0.5000 0.3102 0.1754 ( 2688 PWs) bands (ev): 3.0722 3.0722 5.5067 5.5067 5.7799 5.7799 6.1917 6.1917 6.2916 6.2916 6.3915 6.3915 6.4598 6.4598 6.7327 6.7327 7.3369 7.3369 7.4958 7.4958 7.8742 7.8742 7.9799 7.9799 8.1395 8.1395 8.2351 8.2351 8.3353 8.3353 8.6194 8.6194 8.7832 8.7832 10.2546 10.2546 11.0091 11.0091 11.6899 11.6899 14.0044 14.0044 14.7224 14.7224 15.1194 15.1194 k = 0.5000 0.3102 0.1846 ( 2684 PWs) bands (ev): 3.0586 3.0586 5.5201 5.5201 5.7673 5.7673 6.1736 6.1736 6.2902 6.2902 6.4151 6.4151 6.4940 6.4940 6.7470 6.7470 7.3449 7.3449 7.5000 7.5000 7.8763 7.8763 7.9847 7.9847 8.1505 8.1505 8.2269 8.2269 8.3583 8.3583 8.6258 8.6258 8.7712 8.7712 10.2250 10.2250 10.8915 10.8915 11.7249 11.7249 13.9669 13.9669 14.6044 14.6044 15.0650 15.0650 k = 0.5000 0.3102 0.1938 ( 2684 PWs) bands (ev): 3.0459 3.0459 5.5323 5.5323 5.7554 5.7554 6.1559 6.1559 6.2888 6.2888 6.4414 6.4414 6.5241 6.5241 6.7648 6.7648 7.3525 7.3525 7.5041 7.5041 7.8679 7.8679 7.9872 7.9872 8.1564 8.1564 8.2266 8.2266 8.3855 8.3855 8.6328 8.6328 8.7617 8.7617 10.1954 10.1954 10.7800 10.7800 11.7608 11.7608 13.9329 13.9329 14.4918 14.4918 15.0152 15.0152 k = 0.5000 0.3102 0.2031 ( 2684 PWs) bands (ev): 3.0342 3.0342 5.5431 5.5431 5.7443 5.7443 6.1392 6.1392 6.2876 6.2876 6.4684 6.4684 6.5514 6.5514 6.7852 6.7852 7.3584 7.3584 7.5084 7.5084 7.8493 7.8493 7.9892 7.9892 8.1577 8.1577 8.2364 8.2364 8.4130 8.4130 8.6405 8.6405 8.7544 8.7544 10.1663 10.1663 10.6752 10.6752 11.7972 11.7972 13.9025 13.9025 14.3853 14.3853 14.9700 14.9700 k = 0.5000 0.3102 0.2123 ( 2684 PWs) bands (ev): 3.0235 3.0235 5.5526 5.5526 5.7340 5.7340 6.1238 6.1238 6.2866 6.2866 6.4933 6.4933 6.5785 6.5785 6.8072 6.8072 7.3609 7.3609 7.5137 7.5137 7.8234 7.8234 7.9921 7.9921 8.1571 8.1571 8.2522 8.2522 8.4392 8.4392 8.6488 8.6488 8.7489 8.7489 10.1379 10.1379 10.5781 10.5781 11.8335 11.8335 13.8754 13.8754 14.2858 14.2858 14.9296 14.9296 k = 0.5000 0.3102 0.2215 ( 2676 PWs) bands (ev): 3.0139 3.0139 5.5608 5.5608 5.7248 5.7248 6.1100 6.1100 6.2859 6.2859 6.5137 6.5137 6.6083 6.6083 6.8295 6.8295 7.3579 7.3579 7.5208 7.5208 7.7942 7.7942 7.9961 7.9961 8.1558 8.1558 8.2701 8.2701 8.4633 8.4633 8.6575 8.6575 8.7450 8.7450 10.1106 10.1106 10.4896 10.4896 11.8691 11.8691 13.8515 13.8515 14.1941 14.1941 14.8938 14.8938 k = 0.5000 0.3102 0.2307 ( 2692 PWs) bands (ev): 3.0054 3.0054 5.5677 5.5677 5.7166 5.7166 6.0978 6.0978 6.2852 6.2852 6.5284 6.5284 6.6415 6.6415 6.8509 6.8509 7.3476 7.3476 7.5303 7.5303 7.7654 7.7654 8.0008 8.0008 8.1541 8.1541 8.2878 8.2878 8.4846 8.4846 8.6662 8.6662 8.7422 8.7422 10.0848 10.0848 10.4106 10.4106 11.9031 11.9031 13.8308 13.8308 14.1114 14.1114 14.8628 14.8628 k = 0.5000 0.3102 0.2400 ( 2692 PWs) bands (ev): 2.9982 2.9982 5.5734 5.5734 5.7096 5.7096 6.0873 6.0873 6.2848 6.2848 6.5386 6.5386 6.6770 6.6770 6.8710 6.8710 7.3298 7.3298 7.5420 7.5420 7.7398 7.7398 8.0060 8.0060 8.1523 8.1523 8.3040 8.3040 8.5029 8.5029 8.6749 8.6749 8.7405 8.7405 10.0609 10.0609 10.3423 10.3423 11.9346 11.9346 13.8130 13.8130 14.0387 14.0387 14.8365 14.8365 k = 0.5000 0.3102 0.2492 ( 2700 PWs) bands (ev): 2.9922 2.9922 5.5779 5.5779 5.7038 5.7038 6.0786 6.0786 6.2845 6.2845 6.5453 6.5453 6.7122 6.7122 6.8896 6.8896 7.3057 7.3057 7.5550 7.5550 7.7185 7.7185 8.0111 8.0111 8.1501 8.1501 8.3180 8.3180 8.5180 8.5180 8.6831 8.6831 8.7393 8.7393 10.0395 10.0395 10.2855 10.2855 11.9625 11.9625 13.7980 13.7980 13.9775 13.9775 14.8150 14.8150 k = 0.5000 0.3102 0.2584 ( 2696 PWs) bands (ev): 2.9875 2.9875 5.5814 5.5814 5.6993 5.6993 6.0719 6.0719 6.2843 6.2843 6.5498 6.5498 6.7442 6.7442 6.9068 6.9068 7.2783 7.2783 7.5678 7.5678 7.7020 7.7020 8.0159 8.0159 8.1479 8.1479 8.3293 8.3293 8.5297 8.5297 8.6905 8.6905 8.7386 8.7386 10.0213 10.0213 10.2411 10.2411 11.9858 11.9858 13.7858 13.7858 13.9288 13.9288 14.7983 14.7983 k = 0.5000 0.3102 0.2677 ( 2692 PWs) bands (ev): 2.9842 2.9842 5.5838 5.5838 5.6960 5.6960 6.0671 6.0671 6.2843 6.2843 6.5526 6.5526 6.7698 6.7698 6.9221 6.9221 7.2520 7.2520 7.5788 7.5788 7.6899 7.6899 8.0197 8.0197 8.1460 8.1460 8.3376 8.3376 8.5381 8.5381 8.6963 8.6963 8.7381 8.7381 10.0071 10.0071 10.2094 10.2094 12.0034 12.0034 13.7763 13.7763 13.8939 13.8939 14.7863 14.7863 k = 0.5000 0.3102 0.2769 ( 2692 PWs) bands (ev): 2.9822 2.9822 5.5852 5.5852 5.6941 5.6941 6.0641 6.0641 6.2842 6.2842 6.5542 6.5542 6.7862 6.7862 6.9336 6.9336 7.2323 7.2323 7.5864 7.5864 7.6823 7.6823 8.0223 8.0223 8.1446 8.1446 8.3427 8.3427 8.5431 8.5431 8.7002 8.7002 8.7378 8.7378 9.9981 9.9981 10.1905 10.1905 12.0143 12.0143 13.7700 13.7700 13.8730 13.8730 14.7792 14.7792 k = 0.5000 0.3102 0.2861 ( 2688 PWs) bands (ev): 2.9815 2.9815 5.5857 5.5857 5.6934 5.6934 6.0632 6.0632 6.2842 6.2842 6.5547 6.5547 6.7919 6.7919 6.9381 6.9381 7.2250 7.2250 7.5891 7.5891 7.6797 7.6797 8.0232 8.0232 8.1442 8.1442 8.3444 8.3444 8.5448 8.5448 8.7015 8.7015 8.7376 8.7376 9.9950 9.9950 10.1842 10.1842 12.0181 12.0181 13.7678 13.7678 13.8661 13.8661 14.7768 14.7768 Writing output data file Ag3Sb.save init_run : 0.37s CPU 0.61s WALL ( 1 calls) electrons : 288.79s CPU 291.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 288.78s CPU 291.62s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.11s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 480 calls) cegterg : 268.77s CPU 271.04s WALL ( 784 calls) Called by sum_band: Called by *egterg: h_psi : 158.09s CPU 164.97s WALL ( 12045 calls) s_psi : 16.65s CPU 16.79s WALL ( 12045 calls) g_psi : 0.22s CPU 0.30s WALL ( 10781 calls) cdiaghg : 80.58s CPU 76.86s WALL ( 11261 calls) cegterg:over : 14.09s CPU 12.30s WALL ( 10781 calls) cegterg:upda : 2.19s CPU 4.74s WALL ( 10781 calls) cegterg:last : 2.63s CPU 3.50s WALL ( 2238 calls) Called by h_psi: h_psi:vloc : 139.90s CPU 146.15s WALL ( 12045 calls) h_psi:vnl : 18.14s CPU 18.61s WALL ( 12045 calls) add_vuspsi : 8.16s CPU 10.38s WALL ( 12045 calls) General routines calbec : 9.96s CPU 8.20s WALL ( 12045 calls) fft : 0.03s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 136.03s CPU 141.34s WALL ( 1340488 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.14s WALL ( 960 calls) Parallel routines fft_scatter : 99.31s CPU 99.07s WALL ( 1340511 calls) PWSCF : 5m15.51s CPU 5m24.02s WALL This run was terminated on: 16:14: 8 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=